MX2008015580A - Metodos para identificar imitadores de toxina de araña especificos para insectos. - Google Patents

Abstract

Se describen en la presente métodos para identificar una molécula candidato que imita al menos una porción de la estructura tridimensional de una toxina de insecticida rU ACTX-Hvla, el método comprende proporcionar un modelo molecular hecho de las coordenadas atómicas para la toxina de insecticida rU-ACTX-Hvla como se describe en la presente, usando el modelo molecular para identificar una molécula candidato que imita la estructura tridimensional de la toxina de insecticida rU-ACTX-Hvla; y proporcionar la molécula candidato que se identifica. El método opcionalmente comprende emplear un modelo molecular que identifica los residuos farmacofóricos de U-ACTX como Q8, P9, N28, y V34.<The

Description

METODOS PARA IDENTIFICAR IMITADORES DE TOXINA DE ARAÑA ESPECIFICOS PARA INSECTOS Antecedentes de la Invención No obstante que sólo una pequeña minoría de los insectos se clasifica como plagas, estos sin embargo destruyen alrededor del 20% del suministro alimenticio mundial y transmiten una configuración diversa de patógenos humanos y animales. El control de plagas de insectos es por lo tanto una cuestión de importancia en la agronomía y medicina a nivel mundial. Las plagas de artrópodos tales como insectos se han controlado primariamente con insecticidas químicos desde la introducción del DDT en la década de 1940. Sin embargo, el control de plagas de insectos en los Estados Unidos de América y en cualquier otra parte en el mundo se vuelve incrementadamente complicado por varias razones. Primero, el control químico somete a la población de insectos a la selección Darwiniana y, como consecuencia, más de 500 especies de artrópodos han desarrollado resistencia a una o más clases de insecticidas químicos. Segundo, la conciencia creciente de consecuencias ambientales y ecológicas indeseables de insecticidas químicos, tales como toxicidad a organismos no objetivo, ha llevado a revisar las regulaciones gubernamentales que colocan mayores demandas en la evaluación de riesgos de insecticida. La pérdida de clases completas de Ref.: 198803 insecticidas debido al desarrollo de resistencia o pérdida de registro, combinado con requerimientos de registro más demandantes para insecticidas nuevos, es posible que reduzcan el grupo de insecticidas químicos efectivos en el futuro cercano. Un número de investigadores han reconocido los venenos de arañas como una fuente posible de toxinas específicas para insectos para aplicaciones de agricultura y otras. Una clase de toxinas de péptido conocidas como las atracotoxinas omega se describen en la Patente de E.U.A No. 5,763, 568 que se ha aislado de arañas de red en embudo de Australia al seleccionar el veneno para actividad de "gusano del choclo anti algodón". Uno de estos compuestos, designado omega-ACTX-Hvla, se ha mostrado que inhibe selectivamente corrientes del canal de calcio de entrada de voltaje del insecto, al contrario del mamífero. Una segunda familia, no relacionada, de bloqueadores del canal de calcio peptídico específico de insecto se describe como que se aisla de la misma familia de arañas en la Patente de E.U.A No. 6,583,264. Aunque varias toxinas de péptido insecticida aisladas de escorpiones y arañas parecen conducir prometedoramente al desarrollo de insecticidas, todavía hay una necesidad importante para compuestos que actúen rápidamente y con alta potencia contra insectos, pero que exhiban una toxicidad diferencial entre insectos y vertebrados.

Breve Descripción de la Invención En una modalidad, el método para identificar una molécula candidato que imita al menos una porción de una estructura tridimensional de una toxina de insecticida U-ACTX que comprende proporcionar un modelo molecular hecho de las coordenadas atómicas por la toxina de insecticida rU-ACTX-Hvla que tiene PDB ID 2H1Z y RCSB ID RCSB037828; usando el modelo molecular para identificar una molécula candidato que imita la estructura del modelo molecular rU-ACTX-Hvla ; y proporcionar la molécula candidato que se identifica. En otra modalidad, el método para seleccionar una molécula candidato que imita al menos una porción de una estructura tridimensional de rU-ACTX-Hvla comprende proporcionar una computadora que tiene medios de memoria, medios de entrada de datos, y medios de exhibición visual, los medios de memoria contienen software de simulación molecular tridimensional que operan para recuperar datos de coordenadas de los medios de memoria y para exhibir una representación tridimensional de rU-ACTX-Hvla en los medios de exhibición visual; ingresar los datos de coordenadas tridimensionales de átomos de rU-ACTX-Hvl que tiene PDB ID 2H1Z y RCSB ID RCSB037828 en la computadora y almacenar los datos en los medios de memoria; exhibir la representación tridimensional de la molécula candidato en los medios de exhibición visual; comparar la estructura tridimensional de rU-ACTX-Hvla y la molécula candidato; y proporcionar la molécula candidato. Aún en otra modalidad, un método para identificar una molécula que imita al menos una porción de una estructura tridimensional de una . toxina de insecticida U-ACTX, comprende: generar un modelo tridimensional del polipéptido U-ACTX, identificar residuos farmacofóricos Q8, P9, N28, y V34 en el modelo tridimensional, y realizar un análisis en computadora para identificar una molécula candidato que imita los residuos farmacofóricos del polipéptido U-ACTX.

Breve Descripción de las Figuras La Figura 1 muestra una comparación de la estructura primaria de varios miembros de la familia U-ACTX de toxinas de péptido insecticida (SEQ ID NOs . 1-7). La rU-ACTX-Hvla (SEQ ID NO:l) es una versión recombinante de una de las toxinas de péptido nativas (SEQ ID NO: 2) en las cuales los dos residuos de terminal N (Gln-Tyr) se han reemplazado con Gly-Ser para propósitos de clonación. La Figura 2 muestra una vista estereoscópica de vista cruzada del conjunto de 25 estructuras rU-ACTX-Hvla (archivo PDB 2H1Z) revestida para superposición óptima sobre los átomos de respaldo (Ca, C, y N) de los residuos 3-39. Las terminales N y C de la toxina de péptido se etiquetan "N" y "C", respectivamente. Los tres enlaces disulfuros se muestran como tubos en gris ligero, y cada enlace de disulfuro se etiqueta con los números de residuo de los dos residuos de cisteina que forman el enlace disulfuro. La Figura 3 muestra una gráfica Ramachandran para el conjunto de 25 estructuras rU-ACTX-Hvla como se determina usando el programa de computadora PROCHECK. Las estadísticas calculadas por el programa PROCHECK se muestran a continuación por la gráfica Ramachandran. La Figura 4 muestra un esquema Richardson de la estructura tridimensional de rU-ACTX-Hvla con base en las coordenadas del modelo del conjunto con la energía molecular más baja (Modelo 1 en archivo PDB 2H1Z) . La esquemática se muestra como una imagen estereoscópica de vista cruzada. Las flechas representan las dos trenzas ß (ß? = residuos 22-27; ß2 = residuos 33-38) que forman la horquilla de terminal C. Las terminales N y C de la toxina de péptido se etiquetan "N" y "C", respectivamente. Para esta figura, la molécula se ha rotado aproximadamente 90° alrededor de su eje largo con relación a la orientación mostrada en la Figura 2. La Figura 5 muestra un esquema Richardson de la estructura tridimensional de rU-ACTX-Hvla con base en las coordenadas del modelo del conjunto con la energía molecular más baja (Modelo 1 en archivo PDB 2H1Z). Las cadenas laterales de residuos funcionales clave Gln8, Pro9, Asn28, y Val34, como se determina a partir de experimentos de mutagénesis de barrido de alanina, se muestran como tubos negros. La orientación de la molécula es similar a la que se muestra en la Figura 4. La terminal N de la toxina de péptido se etiqueta "N" . La Figura 6 muestra una representación de la superficie molecular de la estructura tridimensional de rU-ACTX-Hvla con base en las coordenadas del modelo a partir del conjunto con la energía molecular más baja (Modele 1 en el archivo PDB 2H1Z) . La superficie de los elementos de farmacoforo clave de rU-ACTX-Hvla (Gln8, Pro9, Asn28, y Val34) se resaltan en negro . Las características arriba descritas y otras se apreciarán y entenderán por aquellos expertos en la técnica partir de la siguiente descripción detallada, figuras, y reivindicaciones adjuntas.

Descripción Detallada de la Invención La presente invención se basa, al menos en parte, en la determinación de la estructura tridimensional de una toxina de péptido insecticida conocida como U-ACTX-Hvla. La presente invención también se basa, al menos en parte, en la determinación del farmacoforo de esta toxina. Se ha descubierto inesperadamente por los inventores en la presente que cuatro residuos, Q8, P9, N28, y V34, de los polipéptidos U-ACTX proporcionan la actividad insecticida de los polipéptidos . La U-ACTX-Hvla es el miembro prototipico de una familia de toxinas de péptido insecticida descrito en la US 2006/242734, que se incorpora en la presente para referencia en su totalidad. Estas toxinas insecticidas comprenden 38-39 residuos, incluyendo seis residuos de cisteina conservados que se emparejan para formar tres enlaces disulfuro. Los polipéptidos U-ACTX provocan toxicidad irreversible cuando se inyectan en insectos tales como la mosca casera Musca domestica, el grillo casero Acheta domestica, y otras especies de insectos. Estas toxinas tiene la capacidad única de bloquear tanto los canales de calcio de entrada de voltaje de insecto como los canales de potasio activados por calcio.

La rU-ACTX-Hvla (SEQ ID NO: 1) es un polipéptido recombinante en el cual los dos primeros residuos de la secuencia nativa de U-ACTX-Hvla (Gln-Tyr) (SEQ ID. NO: 2) se ha reemplazado con Gly-Ser para dar la siguiente secuencia: SEQ ID NO:l: Gly-Ser-Cys-Val-Pro-Val-Asp-Gln-Pro-Cys-Ser-Leu-Asn-Thr-Gln-Pro-Cys-Cys-Asp-Asp-Ala-Thr-Cys-Thr-Gln-Glu-Arg-Asn-Glu-Asn-Gly-His-Thr-Val-Tyr-Tyr-Cys-Arg-Ala (GSCVPVDQPCSLNTQPCCDDATCTQERNENGHTVYYCRA) Otras variantes de U-ACTX, SEQ ID NOs : 3-7 se muestran en la Figura 1. Otros homólogos de U-ACTX-Hvla pueden emplearse, por ejemplo, homólogos que son mayores que o iguales a alrededor de 70%, 85%, 90%, o 95% idénticos a SEQ ID NO: 1, en donde el polipéptido homólogo tiene actividad insecticida. "Homólogo" es un término genérico usado en la técnica APRA indicar un polinucleótido o secuencia de polipéptido que posee un grado alto de relevancia a una secuencia objeto. Tal relevancia puede - cuantificarse al determinar el grado de identidad y/o similitud entre las secuencias a compararse. Como se usa en la presente, "porcentaje de homología" de dos secuencias de aminoácidos o de dos ácidos nucleicos se determina usando el algoritmo de Karlin and Altschul (1990) Proc. Nati. Acad. Sci., U.S. A. 87, 2264-2268. Tal algoritmo se incorpora en los programas NBLAST y XBLAST de Altschul et al. (1990) J. Mol. Biol. 215, 403-410. La producción de cantidades en miligramos de rU-ACTX-Hvla usando un sistema de expresión en E. coli se determinó en US 2006/242734. Se hace referencia a los conjuntos de coordenadas atómicas y tablas relacionadas incluidas con esta especificación como Tabla 3 y presentadas en el disco compacto 1. Será aparente para aquellos de experiencia ordinaria en la técnica que la estructura de U-ACTX-Hvla presentada en la presente es independiente de su orientación, y que las coordenadas identificadas en la presente representan únicamente una orientación posible de una toxina particular.

Es aparente, por lo tanto, que las coordenadas atómicas identificadas en la presente pueden girarse matemáticamente, traducirse, escalarse, o una combinación de lo mismo, sin cambiar las posiciones relativas de átomos o características de la estructura respectiva. Tales manipulaciones matemáticas se abarcan en la presente. Como se usa en la presente, los términos "enlazado", "enlazar", "unido", "unión", o "unir", cuando se usan con referencia a la asociación de átomos, moléculas, o grupos químicos, se refieren a contacto físico o asociación de dos o más átomos, moléculas, o grupos químicos. Tales contactos y asociaciones incluyen tipos covalentes y no covalentes de interacciones . Como se usa en la presente, el término "enlace hidrógeno" se refiere a dos átomos electronegativos (ya sea O u N) que portan un hidrógeno que se enlaza covalentemente sólo a un átomo, aunque interactúa con el otro. Como se usa en la presente, el término "interacción hidrofóbica" se refiere a interacciones hechas por dos residuos hidrofóbicos . Como se usa en la presente, "enlace no covalente" se refiere a una interacción entre átomos y/o moléculas que no involucran la formación de un enlace covalente entre estos. Como se usa en la presente, el término "gráficos moleculares" se refiere a representaciones tridimensionales de átomos, preferiblemente en una pantalla de computadora. Como se usa en la presente, los términos "modelo molecular" o "estructura molecular" se refieren a la configuración tridimensional de átomos dentro de un objeto particular (por ejemplo, la estructura tridimensional de los átomos que comprenden una toxina) . Como se usa en la presente, el término "modelado molecular" se refiere a un método o procedimiento que puede realizarse con o sin una computadora para hacer uno o más modelos, y, opcionalmente, para hacer predicciones acerca de las relaciones estructura-actividad de los ligandos. Los métodos usados en modelado molecular están en el rango desde gráficos moleculares hasta química de computadora. Como se usa en la presente, el término "farmacóforo" se refiere a un conjunto de grupos funcionales interactivos con una geometría definida que son responsables para la actividad biológica del polipéptido U-ACTX. En general, un farmacóforo se especifica por las propiedades electrónicas precisas en la superficie de los residuos activos que provocan el enlace a la superficie de la molécula objetivo (esto es, un canal de iones del insecto) . Típicamente, estas propiedades son específicas por las estructuras químicas fundamentales (por ejemplo, grupos aromáticos, grupos funcionales tales como -COOH, etc.) y sus relaciones geométricas. En un aspecto no limitante, las relaciones geométricas son precisas para al menos 2 Angstroms, más específicamente al menos 1 Angstrom. Un farmacóforo puede incluir la identificación de 2 hasta 4 de tales grupos (esto es, elementos o características farmacofóricas ) . Sin embargo, para objetivos de reconocimiento de proteína de complejo, un farmacóforo puede incluir un número mayor de grupos. Los residuos farmacofóricos de núcleo de la toxina U-ACTX incluyen los residuos de aminoácidos Q8, P9, N28, y V34, como se muestra en las Figuras 5-6. "Especificación farmacofórica fundamental" se refiere a tanto los grupos químicos que hacen el farmacóforo y las relaciones geométricas de estos grupos. Varias configuraciones químicas pueden tener propiedades electrónicas similares. Por ejemplo, si la especificación farmacofórica incluye un grupo -OH en una posición particular, una especificación substancialmente equivalente incluye un grupo -SH en la misma posición. Los grupos químicos equivalentes que pueden substituirse en una especificación farmacofórica sin cambiar substancialmente su naturaleza son homólogos. Como se usa en la presente, "imitador U-ACTX" se refiere a una molécula que interactúa con un canal de calcio de entrada de voltaje de insecto, un canal de potasio activado por calcio de insecto, o ambos de estos canales, y de esta manera funciona como una toxina U-ACTX. En una modalidad, el imitador U-ACTX interactúa con tanto un canal de calcio de entrada de voltaje de insecto y un canal de potasio activado por calcio de insecto. El término imitador abarca moléculas que tienen porciones similares a las porciones correspondientes del farmacóforo U-ACTX en términos de estructura y/o grupos funcionales. En una modalidad, los métodos descritos en la presente incluyen el uso de técnicas de modelado molecular y por computadora para diseñar y/o seleccionar moléculas novedosas que imitan la familia de toxinas U-ACTX. En una modalidad, un método para identificar una molécula candidato que imita al menos una porción de una estructura tridimensional de una toxina de insecticida U-ACTX comprende proporcionar un modelo molecular hecho de las coordenadas atómicas por la toxina de insecticida rU-ACTX-Hvla que tiene PDB ID 2H1Z y RCSB ID RCSB037828 (Tabla 3); usando el modelo molecular para identificar una molécula candidato que imita la estructura del modelo molecular rU-ACTX-Hvla; y proporcionar la molécula candidato que se identifica. Opcionalmente, el método comprende además identificar los residuos farmacofóricos Q8, P9, N28, y V34 en el modelo molecular mientras se usa el modelo molecular. Las coordenadas atómicas de rU-ACTX-Hvla, opcionalmente en combinación con la especificación farmacofórica fundamental de rU-ACTX-Hvla, puede usarse en el diseño de fármaco racional (RDD, por sus siglas en inglés) para diseñar una molécula novedosa de interés, por ejemplo moduladores del canal de iones novedosos (por ejemplo, diseño racional de insecticidas que se comportan como imitadores estructurales y funcionales de rU-ACTX-Hvla) . Adicionalmente , al usar los principios descritos en la presente, el técnico experto puede diseñar, hacer, probar, refinar y usar insecticidas novedosos específicamente por ingeniería para eliminar o paralizar insectos, o para inhibir el desarrollo de insectos o crecimiento de tal manera que, por ejemplo en el caso de aplicaciones de agricultura, los insectos proporcionan menos daño a la planta, y el rendimiento de la planta no se afecta adversamente significativamente. Por ejemplo, al usar los principios discutidos en la presente, el técnico experto puede producir por ingeniería moléculas nuevas que imitan funcionalmente rU-ACTX-Hvla . Como resultado, la estructura molecular y opcionalmente la especificación farmacofórica fundamental proporcionada y discutida en la presente permite que el técnico experto diseñe toxinas insecticidas nuevas, incluyendo toxinas de molécula pequeña así como toxinas de polipéptido. El RDD usando las coordenadas atómicas de un U-ACTX-Hvla puede facilitarse más rápidamente por medio de un diseño de fármaco asistido por computadora (CADD, por sus siglas en inglés) usando hardware y software de computadora conocido y usado en la técnica. Las moléculas candidato pueden diseñarse de novo o pueden diseñarse como una versión modificada de una molécula ya existente, por ejemplo, una toxina previamente existente. Una vez diseñadas, las moléculas candidato pueden sintetizarse usando metodologías conocidas y usadas en la técnica, u obtenidas de una colección de compuestos. Una vez que se han obtenido, las moléculas candidato se seleccionan opcionalmente para bioactividad, por ejemplo, por su capacidad para inhibir canales de iones de insecto. Opcionalmente, la estructura de la molécula candidato se aclara para determinar como cercanamente la estructura imita los elementos farmacofóricos de rU-ACTX-Hvla . Con base en parte sobre estos resultados, las moléculas candidato pueden refinarse iterativamente usando una o más de las siguientes etapas para producir una molécula más deseable con una actividad biológica deseada. Las herramientas y metodologías proporcionadas en la presente pueden usarse para identificar y/o diseñar moléculas que tienen actividad insecticida. Esencialmente, los procedimientos utilizan un proceso iterativo por ello las moléculas candidato se sintetizan, prueban, y caracterizan. Las moléculas nuevas se diseñan con base en la información ganada en el probado y caracterización de las moléculas iniciales y luego tales moléculas recientemente identificadas se prueban y caracterizan ellas mismas. Esta serie de procesos puede repetirse tantas veces como sea necesario para obtener moléculas con propiedades de enlace deseables y/o actividades biológicas. Los métodos para identificar moléculas candidato se discuten en más detalle abajo. El diseño de moléculas candidato de interés puede facilitarse por procedimientos de modelado físico tipo rama. Sin embargo, en vista del tamaño de la toxina rU-ACTX-Hvla, la capacidad para diseñar moléculas candidato puede aumentarse significativamente usando modelado y protocolos de diseño con bases en computadora. En una modalidad, la selección de una molécula candidato también incluye proporcionar una computadora que tiene medios de memoria, medios de entrada de datos y medios de exhibición visuales en comunicación operable. Los medios de memoria contienen software de simulación molecular tridimensional que operan para recuperar datos de coordenadas de los medios de memoria y que operan para exhibir una representación tridimensional de la molécula o una porción de la misma en los medios de exhibición visual. Este software se opera para producir una representación análoga tridimensional modificada que responde a cambios seleccionados por el operador para la estructura química del dominio y se opera para exhibir la representación tridimensional del análogo modificado. Los medios de entrada de datos incluyen una unidad de procesamiento > central para procesar datos legibles por computadora. Este método también incluye opcionalmente ingresar datos de coordenadas tridimensionales de átomos de rU-ACTX-Hvla en la computadora y almacenar los datos en los medios de memoria; ingresar en los medios de ingreso de datos de la computadora al menos un cambio seleccionado por el operador en la estructura química de rU-ACTX-Hvla ; ejecutar el software de simulación molecular para producir una representación molecular tridimensional modificada de la estructura análoga; exhibir la representación tridimensional del análogo en los medios de exhibición visual; por ello los cambios en la estructura tridimensional de rU-ACTX-Hvla consecuentes con los cambios en la estructura química pueden vigilarse visualmente. El método también incluye opcionalmente ingresar cambios seleccionados por el operador en la estructura química de rU-ACTX-Hvla; ejecutar el software para producir una representación molecular tridimensional modificada de la estructura análoga; y exhibir la representación tridimensional del análogo en los medios de exhibición visual. El método también incluye seleccionar una estructura de compuesto candidato representada por la representación tridimensional y comparar la representación tridimensional de la configuración tridimensional y configuración espacial de las regiones farmacofóricas involucradas en la función de rU-ACTX-Hvla .

El diseño de las moléculas candidato se facilita opcionalmente usando computadoras o estaciones de trabajo, comercialmente disponibles de, por ejemplo, Silicon Graphics Inc., Apple Computer Inc., y Sun Microsystems, corriendo, por ejemplo, sistemas operativos con base en UNIX, o sistema operativo Windows, y capaz de correr programas de computadora apropiados para modelado molecular y diseño de fármaco tradicional . En una modalidad, los sistemas con base en computadora comprende medios de almacenado de datos que tienen almacenado en estos las coordenadas atómicas y opcionalmente la especificación farmacofórica fundamental de rU-ACTX-Hvla como se describe en la presente, y los medios de hardware y medios de software necesarios para soportar e implementar medios de análisis. Como se usa en la presente, "un sistema de computadora" o "un sistema con base en cómputo" se refiere a los medios de hardware, medios de software, y medios de almacenado de datos usados para analizar la secuencia, estructura molecular y opcionalmente la especificación farmacofórica fundamental como se usa en la presente. Como se usa en la presente, el término "medios de almacenamiento de datos" se entiende que se refiere a una memoria que puede almacenar datos de secuencia, o medios de acceso a la memoria que puede fabricar acceso que tienen registrados en este la estructura molecular de la presente invención.

En una modalidad, las coordenadas atómicas de rU-ACTX-Hvla y opcionalmente la especificación farmacofórica fundamental de esta toxina de polipéptido se registran en un medio legible por computadora. Como se usa en la presente, el término "medio legible por computadora" se entiende que significa un medio que puede leerse y tener acceso directamente por una computadora. Tal medio incluye, pero no se limitan a, medios de almacenado magnético, tales como discos flexibles, medio de almacenado en disco duro, y cinta magnética; el medio de almacenado óptico tal como discos ópticos o CD-ROM; medio de almacenado eléctrico tales como RAM y ROM; e híbridos de estas categorías tales como medio de almacenado magnético/óptico. Un técnico experto puede apreciar fácilmente como puede usarse el medio legible por computadora para crear una manufactura que comprende medio legible por computadora que tiene registrado en este una secuencia de aminoácidos y/o nucleótido, estructuras moleculares, y/p coordenadas atómicas de la presente invención . Como se usa en la presente, el término "registrado" se refiere a un proceso para almacenar información en un medio legible por computadora. El técnico experto puede adoptar fácilmente los métodos actualmente conocidos para registrar información en un medio legible por computadora para generar manufacturas que comprenden una secuencia de aminoácidos o nucleótido, coordenadas atómicas y/o datos de RMN. Una variedad de estructuras de almacenaje de datos están disponibles para el técnico experto para crear un medio legible por computadora que tiene registrado en este secuencias de aminoácidos y/o nucleótidos, coordenadas atómicas y/o datos de RMN. La elección de la estructura de almacenado de datos generalmente se basará en los medios elegidos para acceder a la información almacenada. Además, una variedad de programas y formatos procesadores de datos pueden usarse para almacenar la información de la secuencia, datos de RMN, y/o coordenadas atómicas en medios legibles en computadora. La información, datos y coordenadas anteriores pueden representarse en un archivo de texto de procesamiento de palabras, formateado en un software comercialmente disponibles tal como WordPerfect y Microsoft Word, o representado en la forma de un archivo ASCII, almacenado en una aplicación de base de datos, tal como DB2, Sybase, Oracle, o similares. El técnico experto puede adaptar rápidamente un número de formatos de estructurado de procesador de datos (por ejemplo, archivo de texto o base de datos) con objeto de obtener un medio legible por computadora que tenga registrado en este la información. Al proporcionar un medio legible por computadora que tiene almacenado en este la secuencia y coordenadas atómicas de rU-ACTX-Hvla, el técnico experto puede acceder rutinariamente a la secuencia, y/o las coordenadas atómicas para modelar una toxina U-ACTX diferente, un subdominio de la toxina, o un imitador de la toxina. Los algoritmos de computadora están públicamente y comercialmente disponibles lo que permite al técnico experto acceder a estos datos proporcionados en un medio legible por computadora y analizar el modelado molecular y/o RDD. Aunque no se requieran computadoras, el modelado molecular puede facilitarse más rápidamente al usar computadoras para construir modelos realistas de rU-ACTX-Hvla, o porciones del mismo, tal como la especificación farmacofórica fundamental de rU-ACTX-Hvla . El modelado molecular también permite el modelado de moléculas pequeñas que imitan estructuralmente la toxina. Los métodos utilizados en el modelado molecular están en el rango desde gráficos moleculares (esto es, representaciones tridimensionales) hasta química computacional (esto es, cálculos de las propiedades físicas y químicas) para hacer predicciones a cerca de la estructura y actividad de las moléculas pequeñas, y para diseñar moléculas nuevas. Para información básica en el modelado molecular, ver, por ejemplo, las Patentes de E.U.A Nos. 6,093,573; 6,080,576; 6,075,014; 6,075,123; 6,071,700; 5,994,503; 5,884,230; 5,612,894; 5,583,973; 5,030,103; y 4,906,122; incorporadas en la presente para referencia.

El modelado tridimensional puede incluir, pero no se limita a, hacer representaciones tridimensionales de estructuras, fotos dibujadas de estructuras, construcción de modelos físicos de estructuras, y determinación de estructuras de toxinas relacionadas y/o complejos de toxina/ligando usando las coordenadas conocidas. Las coordenadas apropiadas se ingresan en uno o más programas de cómputo para modelado molecular. A modo de ilustración, la lista de programas de cómputo útiles para revisar o manipular estructuras tridimensionales incluyen: Midas (University of California, San Francisco) ; MidasPlus (University of California, San Francisco) ; MOIL (University of Illinois) ; Yummie (Yale University); Sybyl (Tripos, Inc.); Insight/Discover (Biosym Technologies); MacroModel (Columbia University); Quanta (Molecular Simulations, Inc.); Cerius (Molecular Simulations, Inc.); Alchemy (Tripos, Inc.); Lab Vision (Tripos, Inc.); Rasmol (Glaxo Research and Development) ; Ribbon (University of Alabama) ; NAOMI (Oxford University); Explorer Eyechem (Silicon Graphics, Inc.); Univision (Cray Research) ; Molscript (Uppsala University) ; Chem-3D (Cambridge Scientific) ; Chain (Baylor College of Medicine) ; 0 (Uppsala University) ; GRASP (Columbia University); X-Plor (Molecular Simulations, Inc.; Yale University); Spartan (Wavefunction, Inc.); Catalyst (Molecular Simulations, Inc.); Molcadd (Tripos, Inc.); VMD (University of Illinois/Beckman Institute) ; Sculpt (Interactive Simulations , Inc.); Procheck (Brookhaven National Library) ; DGEOM (QCPE) ; RE VIEW (Brunell University) ; Modeller (Birbeck College, University of London) ; Xmol (Minnesota Supercomputing Center) ; Protein Expert (Cambridge Scientific) ; HyperChem (Hypercube) ; MD Display (University of Washington) ; PKB (National Center for Biotechnology Information, NIH) ; ChemX (Chemical Design, Ltd.); Cameleon (Oxford Molecular, Inc.); Iditis (Oxford Molecular, Inc.); y PyMol (DeLano Scientific LLC). Un enfoque para RDD es buscar estructuras moleculares conocidas que imitan el sitio de interés. Usando el modelado molecular, los programas RDD pueden apreciarse a un rango de estructuras moleculares diferentes de moléculas que imitan el sitio de interés, y los mueven en la pantalla de la computadora o por medio de computación puede decidirse que compuestos son los mejores imitadores estructurales del sitio de interés. Por ejemplo, los programas de modelado molecular podrían usarse para determinar que uno de un conjunto dado de compuestos fue el mejor imitador estructural de las regiones farmacofóricas de rU-ACTX-Hvla . Con objeto de facilitar el modelado molecular y/o RDD, el técnico experto puede usar algunas o todas las coordenadas atómicas depositadas en el RCSB Protein Data Bank con el número de acceso PDB ID 2H1Z y RCSB ID RCSB037828, y/o aquellas coordenadas atómicas en la Tabla 3. Al usar las coordenadas atómicas anteriores, el técnico experto puede diseñar imitadores estructurales de toxinas U-ACTX. Las coordenadas atómicas proporcionadas en la presente también son útiles para diseñar análogos mejorados de toxinas insecticidas conocidas. Las coordenadas atómicas presentadas en la presente también permiten comparar la estructura tridimensional de una toxina U-ACTX o una porción de la misma con moléculas compuestas de una variedad de diferentes características químicas para determinar los sitios óptimos para imitar la estructura de la toxina U-ACTX. Las coordenadas atómicas de una toxina U-ACTX permiten al técnico experto identificar ubicaciones objetivo en -una toxina que puede servir como un punto de partida en el diseño de fármaco racional. En particular, la identificación de la especificación farmacofórica fundamental de las toxinas U-ACTX permite identificar residuos y grupos funcionales que son clave para la función de la toxina. Una molécula candidato comprende, pero no se limita a, al menos una de un lípido, ácido nucleico, péptido, molécula orgánica o inorgánica pequeña, compuesto químico, elemento, sacárido, isótopo, carbohidrato, agente formador de imágenes, lipoproteína, glicoproteína , enzima, sonda analítica, y un anticuerpo o fragmento del mismo, cualquier combinación de cualesquiera de los anteriores, y cualquier modificación química o variante de cualesquiera de los anteriores. Además, la molécula candidato puede comprender opcionalmente una etiqueta detectable, tales etiquetas incluyen, pero no se limitan a, etiquetas enzimáticas, radioisótopos o compuestos o elementos radioactivos, compuestos o metales fluorescentes, compuestos quimioluminiscentes y compuestos bioluminiscentes. Pueden usarse métodos bien conocidos para enlazar tal etiqueta detectable a una molécula candidato. Los métodos útiles para sintetizar moléculas candidato tales como lípidos, ácidos nucleicos, péptidos, moléculas orgánicas o inorgánicas pequeñas, compuestos químicos, sacáridos, isótopos, carbohidratos, agentes formadores de imágenes, lipoproteínas, glicoproteínas , enzimas, sondas analíticas, anticuerpos, y fragmentos de anticuerpo son bien conocidos en la técnica. Tales métodos incluyen el enfoque de sintetizar una de tal molécula candidato, tal como un péptido definido sencillo, uno cada vez, así como síntesis combinada de moléculas candidato múltiples en uno o más recipientes. Tales moléculas candidato múltiples pueden incluir una o más variantes de una molécula candidato previamente identificadas. Los métodos para combinar la síntesis de moléculas candidato múltiples son particularmente útiles para preparar colección de combinación, que pueden usarse en técnicas de selección conocidas en la técnica.

A modo de ejemplo, los péptidos y oligonucleótidos múltiples pueden sintetizarse simultáneamente. Las moléculas candidato que son péptidos pequeños, hasta alrededor de 50 aminoácidos de longitud, pueden sintetizarse usando procedimientos de síntesis de péptidos de fase sólida. Por ejemplo, durante la síntesis, los aminoácidos protegidos por N-a que tienen cadenas laterales protegidas se agregan en etapas a una cadena de polipéptido en crecimiento ligada por su extremo de terminal C a un soporte polimérico insoluble, por ejemplo, perlas de poliestireno . Los péptidos se sintetizan al ligar un grupo amino de un aminoácido desprotegido por N-a a un grupo a-carboxi de un aminoácido protegido por N-a que se ha activado al hacer reaccionar con un reactivo tal como diciclohexilcarbodiimida . El enlace de un grupo amino libre al carboxilo activado lleva a la formación del enlace péptido. Los grupos protegidos por N-a más comúnmente usado incluyen Boc, que es inestable al ácido, y Fmoc, que es inestable a la base. Brevemente, el aminoácido protegido por N-a en el C terminal, se enlaza primero a las perlas de poliestireno. Luego, se remueve el grupo protegido por N-a. El grupo a-amino desprotegido se acopla al grupo a-carboxilato activado del siguiente aminoácido protegido por N-a. El proceso se repite hasta que se sintetiza el péptido deseado. Los péptidos resultantes se desdoblan del soporte de polímero insoluble y las cadenas laterales de aminoácidos se desprotegen. Los péptidos más grandes, por ejemplo mayor que alrededor de 50 aminoácidos en longitud, se derivan por condensación de fragmentos de péptido protegido. Los detalles de químicas apropiadas, resinas, grupos de protección, aminoácidos de protección y reactivos son bien conocidos en la técnica. La purificación del péptido resultante se realiza usando procedimientos tales como cromatografía de intercambio de ión y/o permeación de gel de fase inversa. La elección de las matrices apropiadas y soluciones amortiguadores se conocen bien en la técnica. Un péptido sintético comprende aminoácidos que se presentan naturalmente, aminoácidos no naturales, y/o aminoácidos que tienen características específicas, tales como, por ejemplo, aminoácidos que se cargan positivamente, se cargan negativamente, hidrofóbicos , hidrofílieos , o aromáticos. Los aminoácidos usados en la síntesis de péptido incluyen estereoisómeros L o D. Muchos de los métodos conocidos útiles en los compuestos sintetizadores pueden automatizarse, o de otra manera ser prácticos en una escala comercial. Por lo tanto, una vez que una molécula candidato se ha identificado como que tiene potencial comercial, las cantidades de masa de tal molécula pueden fácilmente producirse. Las moléculas candidato pueden diseñarse completamente de novo o pueden ser con base en una toxina insecticida pre-existente . Cualquiera de estos enfoques puede facilitarse por bases de datos de cribado de manera computacional y colecciones de moléculas pequeñas para entidades químicas, agentes, ligandos, o compuestos que pueden imitar una toxina insecticida. La similitud estructural potencial de un compuesto para la especificación farmacofórica fundamental de rU-ACTX-Hvla puede predecirse antes de su síntesis actual y ensayo por el uso de técnicas de modelado por computadora. Si la estructura teórica de la molécula candidato sugiere que es obvio la similitud estructural insuficiente, síntesis y prueba de la molécula candidato. Sin embargo, si el modelado por computadora indica una similitud estructural grande, la molécula se sintetiza y prueba por su capacidad para actuar como una toxina insecticida. De esta manera, puede evitarse la síntesis de moléculas inoperantes. En algunos casos, las moléculas inactivas se sintetizan predichas en el modelado y luego probando para desarrollar un SAR (por sus siglas en inglés relación estructura-actividad) para moléculas que tienen características estructurales particulares. Como se usa en la presente, el término "SAR" se refiere a las relaciones de propiedad estructura-actividad/estructura perteneciente a las relaciones entre una actividad/propiedades del compuesto y su estructura química.

Diversos factores pueden tomarse en cuenta cuando se seleccionan/diseñan imitadores de rU-ACTX-Hvla . Primero, el imitador deberá imitar al menos una porción de la especificación farmacofórica de rU-ACTX-Hvla . Los grupos funcionales en el imitador deberán evaluarse por su capacidad para participar en el enlace de hidrógeno, interacciones van der aals, interacciones hidrofóbicas , e interacciones electroestáticas . Segundo, el imitador deberá ser capaz de asumir una conformación que permita imitar al menos una porción de la estructura de rU-ACTX-Hvla . Tales factores conformacionales incluyen la estructura tridimensional general y orientación del imitador en relación a toda o una porción de la estructura de rU-ACTX-Hvla, o el espaciamiento entre los grupos funcionales de un imitador que comprende diversas entidades químicas que interactúan directamente con los objetivos moleculares de U-ACTX-Hvla y toxinas similares.

Alguien experimentado en la técnica puede usar uno o más de diversos métodos para identificar porciones o entidades químicas, compuestos, u otros agentes para su capacidad para imitar la estructura tridimensional de rU-ACTX-Hvla, o una porción de la misma, tal como la especificación farmacofórica fundamental como se identifica en la presente. Este proceso puede ser por inspección visual o modelado asistido por computadora de, por ejemplo, el farmacóforo de rU-ACTX-Hvla, usando las coordenadas atómicas depositadas en el RCSB Protein Data Bank (PDB) con Número de Acceso PDB ID 2H1Z y RCSB ID RCSB037828. En una modalidad, el compuesto diseñado usa programas de modelado por computadora que calculan qué tan bien una molécula particular imita la estructura de rU-ACTX-Hvla. Las porciones o entidades químicas seleccionadas, compuestos, o agentes se posicionan en una variedad de orientaciones. Las bases de datos de estructuras químicas están disponibles de, por ejemplo, Cambridge Crystallographic Data Center (Cambridge, U.K.) and Chemical Abstracts Service (Columbus, Ohio) . Los programas de computadora especializados también asisten en el proceso de seleccionar entidades químicas. Una vez que las porciones o entidades químicas adecuadas, compuestos, o agentes se han seleccionado, pueden ensamblarse en una molécula sencilla. El conjunto puede proceder por inspección visual y/o modelado por computadora y análisis computacional de la relación espacial de las porciones o entidades químicas, compuestos o agentes con respecto a otro en el espacio tridimensional. Esto luego puede seguirse por construcción modelo y minimización de energía usando software tal como Quanta o Sybyl opcionalmente seguido por minimización de energía y dinámicas moleculares con campos de fuerza mecánicos moleculares estándar, tales como CHARMM y AMBER.

Los programas útiles para ayudar en la selección y conexión de las entidades químicas individuales, compuestos, o agentes que incluyen pero no se limitan a: GRID (University of Oxford); CATALYST (Accelrys, San Diego, CA) ; AUTODOCK (Scripps Research Institute, La Jolla, CA) ; DOCK (University of California, San Francisco, CA) ; ALADDIN; CLIX; GROUPBUILD; GROW; y OE (Chemical Computing Group) . En una modalidad, la molécula de prueba imita una o más características químicas clave de la especificación farmacofórica rU-ACTX-Hvla, tal como la capacidad de enlace del hidrógeno. En una modalidad ejemplar específica, un compuesto de prueba imita la capacidad de enlace de hidrógeno de la porción amida de cadena lateral de Gln8. En lugar de proceder a construir una molécula de interés en una forma en etapas una entidad química en un tiempo como se describe arriba, la molécula de interés se diseña como una entidad completa usando ya sea la especificación farmacofórica fundamental completa de rU-ACTX-Hvla, o una porción del mismo. Durante el modelado, es posible introducir en la molécula de interés, porciones químicas que son benéficas para una molécula que se administra como un insecticida. Por ejemplo, es posible introducir en, u omitir de, la molécula de interés, porciones químicas que pueden no afectar directamente el enlace de la molécula al canal de ión objetivo, pero las cuales contribuyen, por ejemplo, a la solubilidad general de la molécula en un portador agricolamente aceptable, la biodisponibilidad de la molécula, y/o la toxicidad de la molécula. En lugar de diseñar moléculas de interés completamente de novo, moléculas pre-existentes o porciones de las mismas pueden usarse como un punto de partida para el diseño de un nuevo candidato. Muchos de los enfoques útiles para diseñar moléculas de novo también son útiles para modificar moléculas existentes . El conocimiento de la estructura de una toxina insecticida con relación a la estructura de rU-ACTX-Hvla puede permitirse para el diseño de una nueva toxina que ha mejorado la actividad insecticida con relación a la molécula de la cual se derivó. Una variedad de moléculas modificadas se diseñan usando las coordenadas atómicas proporcionadas en la presente. Por ejemplo, al saber la relación espacial de una o más toxinas de péptido insecticida con relación a la estructura de rU-ACTX-Hvla , es posible generar nuevas toxinas de polipéptido con propiedades insecticidas mejoradas. Una vez que una molécula candidato se ha diseñado o seleccionado por los métodos anteriores, su similitud a una toxina rU-ACTX-Hvla se determina por evaluación computacional y/o al probar su actividad biológica después de que el compuesto se ha sintetizado. Además, las substituciones luego pueden hacerse en algunos de los átomos o grupos laterales de la molécula candidato con objeto de mejorar o modificar sus propiedades. Generalmente, las substituciones iniciales son conservadoras, esto es, el grupo de reemplazo se aproximará al mismo tamaño, forma, hidrofobicidad y carga como el grupo original. Deberá, por supuesto, entenderse que los componentes conocidos para alterar la conformación deberán evitarse. En una modalidad, tales compuestos químicos substituidos se analizan por la similitud estructural con U-ACTX por los mismos métodos de computadora descritos en detalle, arriba. En una modalidad, el método comprende además usar el modelo molecular, o una porción de la misma, para identificar una molécula candidato modificada y producir una molécula candidato modificada que tiene una letalidad más alta para insectos, inhibición aumentada de canales de calcio de insectos, inhibición aumentada de canales de potasio activados con calcio de insectos, enlace aumentado para canales de calcio de insectos, enlace aumentado para canales de potasio activados con calcio de insectos, o un aumento de una o más de las funcionalidades anteriores con relación a la molécula candidato. En una modalidad, las moléculas diseñadas, seleccionadas y/u optimizadas por métodos descritos arriba, una vez producidas, se caracterizan usando una variedad de ensayos para determinar si los compuestos tienen actividad biológica.

Por ejemplo, las moléculas se caracterizan por ensayos, incluyendo pero no limitados a aquellos ensayos descritos a continuación, para determinar si tienen una actividad predicha, actividad de enlace y/o especificidad de enlace. La medición de los ensayos adecuados, por ejemplo, la capacidad de la molécula elegida para exterminar o paralizar insectos, inhibir los canales de calcio de insectos, inhibir los canales de potasio activados con calcio de insectos, enlazar canales de calcio de insectos, enlazar canales de potasio activados con calcio de insectos, y combinaciones que comprenden una o más de las funciones anteriores. - (1) Letalidad para insectos. La actividad de una molécula candidato puede determinarse cuantitativamente por inyección directa de la molécula candidato en un insecto tal como Musca domestica (mosca doméstica) . En un protocolo ejemplar, las moscas domésticas (peso corporal 10 hasta 25 mg) se inyectan con 1 hasta 2 µ? de molécula candidato disuelta en solución salina de insecto. Las moscas de control se inyectan con 2 µ? de solución salina de insectos. Un microaplicador Arnold (Burkard Scientific Supply, Rickmansworth, Inglaterra) equipado con una aguja de calibre 29, por ejemplo, se emplea para administrar las inyecciones. Los especímenes pueden inmovilizarse temporalmente a 4°C por las inyecciones y luego se regresan inmediatamente a temperatura ambiente (24°C). El valor LD50 (esto es, la dosis de la molécula candidato que extermina 50% de las moscas en 24 horas después de la inyección) puede calcularse al fijar la siguiente ecuación para la curva de respuesta de dosis logarítmica resultante: y = (a - b) / [1 + (x/LD50)n] donde y es el porcentaje de muertes en la población de muestra en 24 horas después de la inyección, x es la dosis de toxina en pmol g"1, n es un factor de inclinación variable, a es la respuesta máxima y b es la respuesta mínima. (2) Ensayos electrofisiológicos . La inhibición de los canales de iones de insectos pueden estudiarse usando neuronas de insectos aislados, en células recombinantes u oocitos que expresan un canal específico, o una combinación que comprende uno o más de los anteriores. En una modalidad, los canales de iones a probarse son canales de calcio de entrada de voltaje y/o canales de potasio activados con calcio naturalmente encontrados en un sistema neuronal de insectos . En una modalidad, la actividad de un compuesto de prueba se evalúa por su capacidad para inhibir la actividad de una neurona de insecto aislado. En una modalidad, se emplean neuronas medias impares dorsales (DU , por sus siglas en inglés) aisladas del ganglio abdominal terminal (TAG, por sus siglas en inglés) de cucaracha Periplaneta americana . Las neuronas DUM que contienen canales de calcio de entrada de voltaje (canales Cav) de los cuales las corrientes del canal Cav (lea) pueden registrarse usando técnicas de registro de pinzamiento zonal de membrana de célula completa. Los cuerpos de células de neurona DUM se aislan de la linea media del TAG del nervio de P. Americana. En una modalidad, las cucarachas se anestesian por enfriamiento a -20°C durante aproximadamente 5 minutos. Luego se inmoviliza el lado dorsal en un plato de disección, y se remueven la cutícula dorsal, contenidos del intestino, y músculos longitudinales. El cordón del nervio del ganglio se identifica, y el TAG se remueve cuidadosamente y coloca en una solución salina de insectos normales (NIS, por sus siglas en inglés) que contiene NaCl 200 mM, KC1 3.1 mM, CaCl2 5 mM, MgCl2 4 mM, N- [2-hidroxietil ] piperazin-N' - [ácido 2-etansulfónico] 10 mM (HEPES) , sacarosa 50 mM, con suero de becerro de bovino al 5% de volumen/volumen y 50 IU mi-1 de penicilina y se agrega 50 g mi"1 de estreptomicina, y el pH ajustado hasta 7.4 usando NaOH. El TAG se disecciona cuidadosamente y se coloca en solución salina de insecto libre de Ca2+/Mg2+ estéril que contiene NaCl 200 mM, KC1 3.1 mM, HEPES 10 mM, sacarosa 60 mM, 50 IU/mL de penicilina, y 50 IU/ml de estreptomicina, con el pH ajustado hasta 7.4 usando NaOH. A los ganglios luego se les retira el recubrimiento e incuban durante 20 minutos en solución salina de insectos libre de Ca2+/Mg2+ que contiene 1.5 mg/ml de colagenasa. Los ganglios se enjuagan tres veces en solución salina de insectos normales. La suspensión resultante se distribuye en ocho pozos de una placa de grupo de 24 pozos. Cada pozo contiene un portaobjetos de vidrio de 12 mm de diámetro que se han recubierto previamente con concanavalina A (2 mg/ml). Las células aisladas se enlazan a los portaobjetos durante la noche en un incubador (100% con relación de la humedad, 37°C) . En una modalidad, los experimentos electrofisiológicos emplean la técnica de registro de pinzamiento zonal de membrana en la configuración de célula completa para medir las corrientes de sodio, potasio y calcio de entrada de voltaje de las neuronas DUM de la cucaracha. Los portaobjetos con células aisladas se transfieren a una cámara de perfusión de fondo de vidrio de 1 mi montada en la etapa de un microscopio de contraste de fase. Los registros de célula completa de corrientes de sodio, potasio, y calcio se hacen usando un amplificador de integración Axopatch 200A (Axon Instruments, Foster City, CA) . La tubería capilar de vidrio de borosilicato se usa para jalar las micropipetas de registro de uso sencillo. Los conteñidos de las soluciones externas e internas se varían de acuerdo al tipo de procedimiento de registro asumido y también la corriente iónica particular se estudia. El potencial de retención puede ser, por ejemplo, -80 mV. Las resistencias de la punta del electrodo pueden estar en el intervalo de 0.8-4.0 ?O. La osmolalidad de tanto las soluciones externas como internas pueden ajustarse a 310 mosmol/litro con sacarosa para reducir tensión osmótica. El potencial de unión liquida entre las soluciones internas y externas puede determinarse usando el programa JPCalc. En una modalidad, las neuronas DUM en forma de lágrimas con diámetros mayores que 45 µp? se seleccionan por experimentos. Los pulsos de comando con pinza de voltaje invertidos se aplican al baño a través de un puente de Ag/ AgCl peletizado/KCl-agar 3 M. Después de la formación de un sello de gigaohmios, se aplica la succión para romperse a través de la membrana. Los experimentos no deberán comenzar durante un periodo de 5 hasta 10 minutos para permitir el bloqueo completo de corrientes indeseadas. La estimulación y registro ambos pueden controlarse por un sistema de adquisición de datos AxoData (Axon Instruments) corrido en una computadora Apple Macintosh. El dato se filtra a 5 kHz (filtro Bessel de paso bajo) y las velocidades de muestro digitales son entre 15 y 25 kHz dependiendo de la longitud del protocolo de voltaje. Las corrientes de fuga y capacitivas se substraen digitalmente con procedimientos P-P/4. El análisis de datos se realiza fuera de linea siguiendo la terminación del experimento. Los datos I/V se fijan por regresión no lineal de la siguiente ecuación en los datos-: I = gmax (I - (1 / (1 + exp[V - V1/2)/s]))} (V - Vrev) donde I es la amplitud de la corriente de pico a un potencial dado, V; gmax es la conductancia máxima; Vx2 es el voltaje en activación media-máxima; s es el factor de inclinación; y Vrev es el potencial inverso. En otra modalidad, el canal de ión de insecto comprende un canal de potasio activado con calcio de insecto heterologamente expresado (también conocido como BKCa, KCal-l, Maxi-K, o Slol), tal como la subunidad a formada por poros del canal pSlo de la cucaracha Periplaneta americana. Las células de riñon embriónicas humanas (HEK293) (American Type Culture Collection, Bethesda, MD, USA) se mantienen en Medio Eagle Modificado de Dulbecco (DMEM/High Modified, JRH Biosciences, Lenexa KS, USA) complementado con 10% de suero de becerro de bovino. La expresión de los canales pSlo (canales del canal de potasio activado con calcio de alta conductancia de P. americana) se realiza por la transfección de las células HEK293 con un constructo que contiene la región que codifica pSlo clonada en el vector de expresión pcADN3.1, el cual también porta el gen de resistencia G418 (Invitrogen BV, San Diego, CA, USA) . Las monocapas HEK293 en platos de 35 mm2 se transfectan usando 9 µ? de reactivo de Lipofectamina (Gibco, BRL) y 5 µg de AD . Las células establemente transfectadas luego se seleccionan con 1000 µg mi"1 de G418 (Gibco, Grand Island, NY, USA) . Estas células se mantienen en el medio de crecimiento normal descrito arriba y se cultivan en portaobjetos de vidrio estériles para usarse por los experimentos con pinzamiento zonal de membrana. Las corrientes del canal pSlo de célula completa se miden a temperatura ambiente usando pipetas de borosilicato (Harvard Apparatus Ltd, Kent, UK) con resistencias de 2-4 ?O. Las mediciones de corriente se hacen usando un amplificador de integración Axopatch 200A (Axon Instruments, Foster City, CA, USA) . En todos los experimentos el potencial de retención es -90 mV. Para registrar las corriente de célula completa pSlo, las pipetas se rellenan con una solución que contiene NaCl 4 mM, KC1 140 mM, ATP-Mg2 2 mM, CaCl2 0.6 mM, y N-(2-hidroxietil) piperazin-N' - [ácido 2-etansulfónico] 10 mM (HEPES), con el pH ajustado hasta 7.25 con KOH 2 M. La solución externa contiene NaCl 135 mM, KC1 5 mM, MgCl2 1 mM, CaCl2 1 mM, NaH2P04 0.33 mM, glucosa 10 mM, y HEPES 10 mM, con el pH ajustado hasta 7.4 con NaOH 2 M. La osmolalidad es aproximadamente 290 mosmol/L. Después del rompimiento a través de la membrana, los experimentos no comienzan durante un periodo de 10-15 min para permitir la formación de sellos >2 ?O. La eficacia de un compuesto de prueba puede expresarse como el IC50 (la dosis que inhibe 50% de la actividad) de un canal de calcio de insecto o canal de potasio activado con calcio de insecto. Los compuestos los cuales tienen un IC50 de menos de 1 nanomolar, específicamente menos de 25 micromolares y más preferiblemente menos de 1 micromolar. La cantidad insecticida efectiva de tales compuestos consiste preferiblemente dentro de un intervalo de concentración que incluye el IC50. (3) Otros ensayos del canal de iones. Se entenderá por aquellos experimentados en la técnica que un número de ensayos alternativos son adecuados para determinar si un imitador supuesto de rU-ACTX-Hvla modula la actividad de un canal de ión de insecto específico. Los ejemplos incluyen, pero no se limitan a: (1) ensayos de flujo radioactivo, tales como el uso de 86Rb+ para medir la actividad de los canales de potasio (Cheng et al., Drug. Dev. Ind. Pharm. 28, 177-191, 2002); y (2) ensayos de sensor de voltaje en los cuales los pigmentos fluorescentes sensibles potenciales a la membrana se usan para monitorear indirectamente la actividad del canal al monitorear los cambios en el potencial de membrana (González, J.E. and Maher, .P., Receptors and Channels 8, 283-295, 2002) . En un ensayo de flujo radioactivo ejemplar, el gen relacionado con un "éter-a go-go" (éteres con movimiento agitado) humano (HERG, por sus siglas en inglés), que codifica la subunidad formada por poros de canales de potasio Ikr cardiacos (K+) , se usa para transferir células de ovario de hámster Chino (CHO) . Las células se sembraron en placas de 96 pozos a una densidad de alrededor de 200 células/µ?-, de medio. Después de la siembra, las células se incubaron a 37°C y C02 al 5% durante la noche previo al uso. Para el ensayo de flujo con Rb, el medio de cultivo celular se cambia a rubidio (86Rb) . Las células se incubaron con 86Rb durante cuatro horas, el medio se remueve y las células se lavan. Las células se lavan con una solución amortiguadora de prueba K+ 40 mM que contiene: NaCl 105 mM, CaCl2 2 mM, KC1 40 mM, MgCl2 2 mM, HEPES 10 mM, y glucosa 10 mM. El pH se ajusta hasta 7.4 con NaOH. Los compuestos de prueba se llevan a cabo en la solución amortiguadora de prueba de K+ alto. El efecto de los compuestos de prueba en los canales se mide usando registro de electrofisiologia . Los electrodos tienen resistencias entre 2 y 3 ?O cuando se rellenan con solución interna. La solución interna contiene: KF 100 mM, KC1 40 mM, NaCl 5 mM, EGTA 10 mM, y HEPES 10 mM, ajustado hasta pH 7.4 con KOH. Las células se perfusionan con solución externa que contiene: NaCl 140 mM, CaCl2 2 mM, KC1 5 mM, MgCl2 2 mM, glucosa 10 mM, y HEPES 10 mM, ajustado hasta pH 7.4 con NaOH. La unión potencial puede calcularse usando software pClamp 8. Las corrientes pueden filtrarse a 5 kHz en el amplificador Axopatch-ID (Axon Instruments) y se registran en una PC con velocidad de muestra de 1 kHz usando pClamp 8 .(Axon Instruments) . Los datos pueden analizarse usando software Clampfit (Axon Instruments) y Origin (Microcal) . En otra modalidad ejemplar, los pigmentos fluorescentes sensibles al potencial de membrana se usan para monitorear indirectamente la actividad del canal al monitorear los cambios en el potencial de membrana. Los sensores del potencial de membrana con base en FRET son útiles para el cribado del alto desempeño de canales de iones. En una modalidad, el sensor es un sensor de dos componentes que comprende un primer componente que es un ión hidrofóbico altamente fluorescente que enlaza a la membrana del plasma y sensibiliza el potencial de la membrana y un segundo componente que es una molécula fluorescente que enlaza a una cara de la membrana de plasma y funciona como un compañero FRET para el ión sensible al voltaje móvil. En una modalidad, el primer componente es un fosfolipido etiquetado con cumarina (CC2-DMPE) y el segundo componente es un bis- (ácido 1 , 3-dialquiltiobarbitúrico) trimetina oxonol, DiSBACn(3), donde n corresponde al número de átomos de carbono en el grupo alquilo n. El vértice, por ejemplo, ha desarrollado un lector de placa cinética que es compatible con tales sensores de voltaje con base en FRET. El VIPR™ es un manipulador de liquido integrado de 96 ó 384 pozos y lector fluorescente. El lector usa una iluminación óptica de fibra de barrido por exclusión y sistema de detección. Otros sistemas y sondas similares también pueden emplearse. (4) Estudios de enlace de la superficie. Una variedad de ensayos de enlace son útiles al cribar las nuevas moléculas para su actividad de enlace. Un enfoque incluye resonancia de plasmón de superficie (SPR, por sus siglas en inglés), el cual puede usarse, por ejemplo, para evaluar si las moléculas de interés se enlazan a un canal de calcio de entrada de voltaje de insecto o un- canal de potasio activado con calcio de insecto. Las metodologías SPR miden la interacción entre dos o más macromoléculas en tiempo real a través de la generación de un plasmón de superficie mecánico cuántico. Un dispositivo, el BIAcore Biosensor RTM (Pharmacia, Piscataway, N.J.), proporciona un haz enfocado de luz policromática a la interfase entre una película de oro (proporcionado como un "chip" biosensor desechable) y un compartimiento de solución amortiguadora que puede regularse por el usuario. Un "hidrogel" de 100 nm de grosor compuesto de dextrano carboxilado el cual proporciona una matriz para la inmovilización covalente de analitos de interés que se enlaza a la película de oro. Cuando las interacciones de luz enfocada con el electrón libre turbio de la película de oro, se aumenta la resonancia de plasmón. La luz reflejada resultante se elimina espectralmente en longitudes de onda que desarrollan óptimamente la resonancia. Al separar la luz policromática reflejada en sus longitudes de onda del componente (por medio de un prisma) , y determinar las frecuencias las cuales se eliminan, el BIAcore establece una interfase óptica la cual reporta agudamente el comportamiento de la resonancia de plasmón de la superficie generada. Cuando se diseña como arriba, la resonancia de plasmón (y de esta manera la eliminación del espectro) es susceptible a la masa en el campo evanescente (el cual corresponde aproximadamente al grosor del hidrogel) . Si un componente de un par de interacción se inmoviliza para el hidrogel, y el compañero de interacción se proporciona a través del comportamiento de la solución amortiguadora, la interacción entre los dos componentes se mide en tiempo real con base en la acumulación de masa en el campo evanescente y sus efectos correspondientes de la resonancia de plasmón como se mide por el espectro de eliminación. Este sistema permite la medición en tiempo real sensible y rápida de las interacciones moleculares sin la necesidad de etiquetar ningún componente. La SPR es útil, por ejemplo, para evaluar si un imitador supuesto de rU-ACTX-Hvla fue capaz de desplazar competitivamente esta toxina de péptido de un canal de ión de insecto . (5) Polarización por fluorescencia. La polarización por fluorescencia (FP, por sus siglas en inglés) es una técnica de medición que se aplica fácilmente a las interacciones proteina-proteina y proteina-ligando con objeto de derivar valores IC5o y Kd para la reacción de asociación entre dos moléculas. En esta técnica, una de las moléculas de interés se conjuga con un fluoroforo. Esto es generalmente la molécula más pequeña, tal como un imitador de molécula pequeña de rU-ACTX-Hvla . La mezcla de muestra, que contiene tanto la molécula pequeña conjugada como ya sea un canal de calcio de entrada de voltaje de insecto o un canal de potasio activado con calcio de insecto, se excita con luz polarizada verticalmente . La luz se absorbe por los fluoróforos de sonda, y se vuelve a emitir después de un tiempo corto. El grado de polarización de la luz emitida se mide. La polarización de la luz emitida es dependiente de diversos factores, tales como la viscosidad de la solución y el peso molecular aparente del fluoroforo. Con controles propios, los cambios en el grado de polarización de la luz emitida depende solamente de los cambios en el peso molecular aparente del fluoroforo, el cual depende sucesivamente de si el conjugando de ligando de sonda está libre en la solución, o se enlaza a un receptor. Los ensayos de enlace con base en FP tienen un número de ventajas importantes, incluyendo la medición de los valores IC50 y Kd bajo condiciones de equilibrio homogéneas verdaderas, velocidad de análisis, amenidad de automatización, y capacidad de cribar en suspensiones turbias y soluciones coloridas. (6) Competición con rU-ACTX-Hvla . En una modalidad, la capacidad de una molécula para imitar el enlace de rU-ACTX-Hvla a un canal de ión de insecto particular se mide de su capacidad para desplazar competitivamente rU-ACTX-Hvla de tal canal. Por ejemplo, rU-ACTX-Hvla etiquetado fluorescentemente o radioactivamente se enlazan primero a las membranas neuronales o lineas celulares que contienen el canal de ión de interés. Luego alguien mide la capacidad del compuesto de interés para desplazar competitivamente rU-ACTX-Hvla y provoca la liberación de toxina etiquetada en el medio. La repetición del ensayo de desplazamiento con diversas concentraciones de la molécula de interés permite su valor IC50 para calcularse y compararse con tal de otros imitadores supuestos, permitiendo que las moléculas estén en el rango con objeto de enlazar la afinidad. Además, el cribado de alta producción puede usarse para acelerar el análisis usando tales ensayos. Como un resultado, puede ser posible cribar rápidamente nuevas moléculas por su capacidad de interactuar como un canal de ión de insecto usando las herramientas y métodos descritos en la presente. Las metodologías generales para realizar el cribado de alta producción se describen, por ejemplo, en la Patente de E.U.A. No. 5,763,263, incorporada en la presente para referencia.

Los ensayos de alta producción pueden usar una o más técnicas de ensayo diferentes incluyendo, pero no limitado a, aquellas descritas arriba. Una vez identificadas, las moléculas activas se incorporan opcionalmente en un portador adecuado previo al uso. Más específicamente, la dosis de la molécula activa, modo de administración, y uso del portador adecuado dependerá de los organismos objetivos y no objetivos de interés. Un método para controlar un insecto comprende poner en contacto el insecto o una larva de insecto con una cantidad efectiva insecticida de un imitador U-ACTX. El imitador U-ACTX puede estar, por ejemplo, en la forma de una molécula orgánica pequeña, un compuesto químico, un polipéptido purificado, un polinucleótido que codifica el imitador U-ACTX opcionalmente en un vector de expresión, un virus de insecto que expresa el imitador U-ACTX, una célula tal como una célula de planta o una célula bacteriana que expresa el imitador U-ACTX, o una planta transgénica que expresa el imitador U-ACTX. El imitador U-ACTX se fusiona opcionalmente a, o se administra en conjunto con, un agente que aumenta la actividad del compuesto cuando se ingiere por insectos, tales como lectina de campanilla de invierno o una de las d-endotoxinas de Bacillus thuringiensis . El contacto incluye, por ejemplo, inyección del imitador U-ACTX, contacto externo, ingestión del imitador U-ACTX, o ingestión de un polinucleótido, virus, o bacteria que expresa el imitador U-ACTX. Un método para tratar una planta que comprende poner en contacto la planta con una cantidad efectiva insecticida de un imitador U-ACTX. El imitador U-ACTX es, por ejemplo, en la forma de una molécula orgánica pequeña, un compuesto químico, un polipéptido purificado, un polinucleótido que codifica el imitador U-ACTX opcionalmente en un vector de expresión, un virus que expresa el imitador U-ACTX, o una célula tal como una célula de planta o una célula bacteriana que expresa el imitador U-ACTX. En una modalidad, se proporciona una composición insecticida que comprende un imitador U-ACTX y un portador, diluyente y/o excipiente agrícolamente aceptable. En otra modalidad, una composición insecticida comprende un virus que expresa un imitador U-ACTX. El virus de insecto puede replicarse y expresarse dentro de un insecto hospedero una vez que el virus infecta el insecto hospedero. Infectar un insecto con un virus de insecto puede realizarse por medio de métodos, incluyendo, por ejemplo, ingestión, inhalación, contacto directo del insecto o larva de insecto con el virus del insecto, y los similares. La composición insecticida está, por ejemplo, en la forma de una solución o suspensión de flujo tal como una solución o suspensión acuosa. Tales soluciones o suspensiones acuosas se proporcionan como una solución de reserva concentrada la cual se diluye previo a la aplicación, o alternativamente, como una solución diluida para fácil aplicación. En otra modalidad, una composición insecticida comprende un gránulo dispersable en agua. Aún en otra modalidad, una composición insecticida comprende un polvo que se humedece, polvo, peletizado, o concentrado coloidal. Tales formas secas de las composiciones insecticidas se formulan para disolverse inmediatamente en el que se humedece, o alternativamente, disolverse en una manera de liberación controlada, liberación sostenida, u otra manera dependiente de tiempo. Cuando los imitadores U-ACTX se expresan por un virus de insecto, el virus que expresa el imitador U-ACTX puede aplicarse a la cosecha para protegerse. El virus puede prepararse por ingeniería para expresar un imitador U-ACTX, ya sea solo o en combinación con uno o diversos de otros polipéptidos o imitadores U-ACTX, o en combinación con otros insecticidas tales como otras toxinas de polipéptido insecticidas que pueden resultar en actividad insecticida aumentada o sinérgica. Los virus adecuados incluyen, pero no se limitan a, baculovirus. Cuando las composiciones insecticidas comprenden las células intactas (por ejemplo, células bacterianas) que expresan un imitador U-ACTX, tales células se formulan en una variedad de maneras. Estas pueden emplearse como polvos que se humedeces, gránulos o polvos, por mezclarse con diversos materiales inertes, tales como minerales inorgánicos (filosilicatos, carbonatos, sulfatos, fosfatos y similares) o materiales botánicos (mazorca de maíz en polvo, cáscara de arroz, cáscara de nuez y similares) y combinaciones que comprende uno o más de los materiales anteriores. Las formulaciones pueden incluir adyuvantes de etiqueta propagadora, agentes estabilizantes, otros aditivos pesticidas, agentes tensoactivos y combinaciones que comprenden uno o más de los aditivos anteriores. Las formulaciones liquidas pueden ser con bases en acuosos o no acuosos y se emplean como espumas, suspensiones, concentrados emulsificantes y similares. Los ingredientes pueden incluir agentes reológicos, agentes tensoactivos, emulsificadores , dispersantes, polímeros, liposomas y combinaciones que comprenden uno o más de los siguientes ingredientes. Alternativamente, los imitadores U-ACTX se expresan in vitro y se aislan para la aplicación posterior en el campo. Tales imitadores son, por ejemplo, en la forma de los lisados de células crudos, suspensiones, coloides, etc. o pueden purificarse, refinarse, amortiguarse y/o procesarse además, antes de formularse en una formulación de insecticida activo. Independientemente del método de aplicación, la cantidad del componente activo se aplica a una cantidad para insecticida efectiva, la cual varia dependiendo en tales factores como, por ejemplo, los insectos específicos a ser controlados, la planta específica o cultivo a ser tratado, las condiciones del ambiente y el método, relación y cantidad de la aplicación de la composición insecticida activa. Las composiciones insecticidas comprenden los imitadores U-ACTX que son, por ejemplo, formuladas con un portador agrícolamente aceptable. Las composiciones pueden formularse previo a la administración en un medio apropiado tal como liofilización, secado por congelado, deshidratado, o en un portador acuoso, medio o diluyente adecuado, tal como solución salina u otra solución amortiguadora. Las composiciones formuladas pueden estar en la forma de un polvo o material granular, o una suspensión en aceite (vegetal o mineral), o agua o emulsiones de aceite/agua, o como un polvo que se humedece o en combinación a otro portador material adecuado para la aplicación agrícola. Los portadores agrícolas adecuados pueden ser sólidos o líquidos y son bien conocidos en la técnica. El término "portador agrícolamente aceptable" cubre todos los adyuvantes, por ejemplo, componentes inertes, dispersantes, agentes tensoactivos, espesantes, enlazadores, etc. que son ordinariamente usados en la tecnología de la formulación del insecticida; estos son bien conocidos por aquellos de experiencia en la formulación del insecticida. Las formulaciones pueden mezclarse con uno más adyuvantes sólidos o líquidos y se preparan por diversos medios, por ejemplo, por mezclado homogéneamente, mezclar y/o moler la composición del insecticida con adyuvantes adecuados usando técnicas de formulación convencional. Las composiciones insecticidas son, por ejemplo, aplicadas al ambiente del insecto objetivo, por ejemplo, en el follaje de la planta o cultivo a ser protegido por los métodos, preferiblemente por rocío. La fuerza y duración de la aplicación del insecticida puede establecerse con respecto a las condiciones específicas para las plagas particulares, cultivos a ser tratados y condiciones del ambiente particulares. La relación proporcional del ingrediente activo al portador deberá naturalmente depender de la naturaleza química, solubilidad y estabilidad de la composición del insecticida, así como la formulación particular contemplada.

Otras técnicas de aplicación, por ejemplo, en polvo, rociado, remojado, inyección al suelo, recubrimiento de semilla, recubrimiento del semillero, rocío, aireado, nebulización, atomización y similares, son también factibles y pueden requerirse bajo ciertas circunstancias tales como, por ejemplo, control de insectos que causan el tallo o infestación de raíz, o para la aplicación a la vegetación delicada o plantas ornamentales. Estos procedimientos de aplicación son también bien conocidos por aquellos de habilidad en la técnica.

Las composiciones insecticidas se emplean sencillamente o en combinación con otros compuestos, que incluyen pero no se limitan a otros pesticidas. Estas pueden usarse en conjunto con otros tratamientos tales como agentes tensoactivos , detergentes, polímeros o formulaciones de liberación de tiempo. Las composiciones insecticidas opcionalmente comprenden un atrayente insecticida. Las composiciones insecticidas se formulan por ya sea el uso sistémico o tópico. Tales agentes pueden ser opcionalmente aplicables a insectos directamente. La concentración de la composición del insecticida que se usa para aplicación ambiental, sistémica o foliar varía dependiendo durante la naturaleza de las formulación particular, medios de aplicación, condiciones ambientales y grado de la actividad biocida. Alternativamente, un cultivo se produce por ingeniería para expresar un imitador U-ACTX, ya sea solo o en combinación con toxinas del polipéptido del insecticida que pueden resultar en el aumento o actividad del insecticida sinérgica. Los cultivos para los cuales este enfoque debería ser út-il incluyen, pero no se limitan a, algodón, tomate, maíz dulce, lucerna, fríjol de soya, sorgo, guisante de campo, semillas de lino, cártamo, semilla de colza, girasol y lupinos de campo. Los artrópodos de importancia agrícola, doméstica y/o médica/veterinaria adecuados para el tratamiento con los polipéptidos del insecticida incluyen, por ejemplo, los miembros de las clases y órdenes: Coleópteros tal como el gorgojo de frijol de América Acanthoscelides obtectus, el escarabajo de la hoja Agelastica alni, escarabajos clic (Agriotes Meatus, Agríotes obscurus, Agriotes bicolor) , el escarabajo de grano Ahasverus advena, el escarabajo de junio o del verano Amphimallon solstitialis, el escarabajo del mueble Anobium punctatum, Anthonomus spp. (gorgojos), el escarabajo de remolacha de pigmeo Atomaria linearis, escarabajos de pasto {Anthrenus spp., Attagenus spp.), el gorgojo caupi Callosobruchus maculatus, el escarabajo de frutas fritas Carpophilus hemipterus, gorgojo de semillero de repollo Ceutorhynchus assimílis, el gorgojo de tallo de invierno de colza Ceutorhynchus picitarsis, los gusanos alambres Conoderus vespertinus y Conoderus fallí, el gorgojo de plátano Cosmopolites sordidus, gusano de pasto de Nueva Zelanda Costelytra zealandica , el escarabajo de Junio Cotinis nítida, el gorgojo de tallo de girasol Cylindrocopturus adspersus, el escarabajo del almacén Dermestes lardarius, gusano de raíz de maíz Diabrotica virgifera , Diabrotica virgifera virgifera , y Diabrotica barberi, el escarabajo de frijol mexicano Epilachna varivestis, el barrenador de casa vieja Hylotropes bajulus, el gorgojo de la lucerna Hypera postica, el escarabajo de araña brillante Gibbium psylloides, el escarabajo de cigarrillos Lasioderma serricorne, el escarabajo de papa de Colorado Leptinotarsa decemlineata, escarabajos Lyctus [Lyctus spp.), el escarabajo de polen Meligethes aeneus, el escarabajo sanjuanero común Melolontha melolontha , el escarabajo araña americano Mezium americanum, el escarabajo araña de oro Niptus hololeucus, los escarabajos de grano Oryzaephilus surinamensis y Oryzaephilus mercator, el gorgojo de enredadera negro Otiorhynchus sulcatus, el escarabajo de la mostaza Phaedon cochleariae, el escarabajo pulga crucifero Phyllotreta cruciferae, el escarabajo pulga rayado Phyllotreta striolata, el escarabajo pulga de vapor de repollo Psylliodes chrysocephala , Ptinus spp. (escarabajos araña) , el barrenador de grano menor Rhizopertha dominica , el guisante y gorgojo Sitona lineatus, los escarabajos de arroz y grano Sitophilus oryzae y Sitophílus granarius, el gorgojo de semilla de girasol rojo Smicronyx fulvus, el escarabajo de farmacia Stegobium paniceum, el escarabajo de gusano de harina gruesa amarilla Tenebrio molitor, los escarabajos de harina fina Tribolium castaneum y Tribolium confusum, escarabajos de almacén y gabinete (Trogoderma spp.), y el escarabajo de girasol Zygogramma exclamationis; Dermaptera (tijeretas) tal como la tijereta europea Forfícula auricularia y la tijereta rayada Labidura riparia; Dictioptera tal como la cucaracha oriental Blatta orientalis, la cucaracha alemana Blatella germánica , la cucaracha de Madeira Leucophaea maderae, la cucaracha americana Periplaneta ameicana , y la cucaracha parda Periplaneta fuliginosa; Diplopoda tal como el milpiés serpiente manchado Blaniulus guttulatus, el milpiés de espalda plana Brachydesmus superus, y el milpiés de invernadero Oxidus gracilis; Dípteros tal como la mosca tumbo africana (Cordylobia anthropophaga) , mosquito de picadura {Culicoides spp.)/ piojo abeja {Braula spp.), la mosca de remolacha Pegomyia betae, moscas negras {Cnephia spp., Eusimulium spp., Simulium spp.), moscas rezno {Cuterebra spp., Gastrophilus spp., Oestrus spp.), zancudos {Típula spp.), moscas oculares (Hippelates spp.), moscas criadas en la suciedad {Calliphora spp., Fannia spp., Hermetia spp., Lucilia spp., Musca spp., Muscina spp., Phoenicia spp., Phormia spp.), moscas de carne (Sarcophaga spp., Nohlfahrtia spp.); la mosca frit Oscinella frit, moscas de fruta {Dacus spp., Drosophila spp.), moscas de cabeza y carroña {Hydrotea spp.), la mosca nociva para el trigo Mayetiola destructor, moscas de cuernos y del búfalo (Haematobia spp.), moscas de caballos y ciervos {Chrysops spp., Haematopota spp., Tabanus spp.), moscas de piojo {Lipoptena spp., Lynchia spp., y Pseudolynchia spp.), mosca mediterránea (Ceratitus spp.), mosquitos {Aedes spp., Anopheles spp., Culex spp., Psorophora spp.), moscas de arena ( Phlebotomus spp., Lutzomyia spp.), moscas de gusano de la miasis {Chrysomya bezziana y Cochliomyia hominivorax) , garrapata de la oveja {Melophagus spp.); moscas estables {Stomoxys spp.), mosca tsé-tsé {Glossina spp.), y moscardón (Hypoderma spp.); Isópteros (termitas) incluyendo especies de las familias de Hodotermitidas , Kalotermitidas, Mastotermitidas, Rinotermitidas , Serritermitidas, Termitidas, Termopsidas; Heterópteros tal como chinche de la cama Cimex lectularius , la chinche tintorera de algodón Dysdercus intermedius, la plaga de las chinches de los cereales Eurygaster integriceps, la chinche de la planta deslustrada Lygus lineolaris, la chinche hedionda verde Nezara antennata , la chinche hedionda verde del sur Nezara viridula, y las chinches triatomas Panstrogylus megistus, Rhodníus ecuadoriensis, Rhodnius pallescans, Rhodnius prolixus, Rhodnius robustus, Triatoma dimidiata, Triatoma ínfestans, y Triatoma sórdida; Homoptera tal como la bráctea roja de California Aonidiella aurantii , el pulgón afidido de frijol negro Aphis fabae, el pulgón afidido de algodón o melón Aphis gossypii , el pulgón afidido de manzana verde Aphis pomi, la mosca blanca de espinosa de cítricos Aleurocanthus spiniferus, la bráctea adelfa Aspidiotus hederae, la mosca blanca de papa dulce Bemesia tabaci, el pulgón afidido de repollo Brevicoryne brassicae, el psílido de pera Cacopsylla pyricola , el pulgón afidido de grosella Cryptomyzus ribis, la filoxera de la uva Daktulosphaira vitifoliae, el psílido de los cítricos Diaphorina citri, la langosta de hoja de papa Empoasca fabae, la langosta de hoja de fríjol Empoasca solana, la langosta de hoja de enredadera Empoasca vitis, el pulgón afídido de lana Eriosoma lanigemm, la bráctea de fruta europea Eulecanium corni, el pulgón afidido de ciruela melosa Hyalopterus arundinis, la langosta de planta café pequeña Laodelphax striatellus, el pulgón afidido de papa Macrosiphum euphorbiae, el pulgón afidido de durazno verde Myzus persicae, la langosta de hoja de arroz verde Nephotettix cinticeps, la langosta de planta café Nilaparvata lugens, pulgón afidido que forma agalla {Pemphigus spp.)/ el pulgón afidido del lúpulo Phorodon humuli, el pulgón afidido de ave fresa Rhopalosiphum padi, la bráctea negra Saissetia oleae, el pulgón verde Schizaphis graminum, el pulgón afidido de grano Sitobion avenae, y la mosca blanca de invernadero Trialeurodes vaporariorum; Isópodos tal como el bicho bolita común Armadillidium vulgare y el piojo de madera común Oniscus asellus; Lepidópteros tal como Adoxophyes orana (polilla tortrix de la fruta de verano) , Agrotis ipsolon (oruga nocturna negra) , Archips podana (polilla tortrix del árbol de fruta) , Bucculatrix pyrivorella (mosca del garbanzo de la pera) , Bucculatrix thurberiella (gusano perforador de la hoja de algodón), Bupalus piniarius (moscas de cierra de pino) , Carpocapsa pomonella (gusano de la pera y la manzana) , Chilo suppressalis (barrenador de arroz rayado) , Choristoneura fumiferana (gusano de las yemas de abeto oriental), Cochylis hospes (polilla de girasol agrupada), Diatraea grandiosella (barrenador de maíz del suroeste) , Earis insulana (gusano de maíz de Egipto) , Euphestia kuehniella (polilla de harina fina mediterránea) , Eupoecilia ambiguella (polilla de baya de uva europea) , Euproctis chrysorrhoea (polilla de cola café) , Euproctis subflava (orugas limántridas) , Gallería mellonella (polilla de cera mayor) , Helicoverpa armígera (gusano de algodón) , Helicoverpa zea (gusano de algodón) , Helíothís vírescens (gusano de la yemas de tabaco) , Hofmannophíla pseudopretella (polilla de casa café) , Homeosoma electellum (polilla de girasol) , Homona magnánima (polilla tortrix del árbol de té oriental) , Lithocolletis blancardella (mosca del garbanzo manchada) , Lymantria dispar (polilla gitana) , Malacosoma neustria (oruga de tienda de campaña) , Mamestra brassicae (larva del repollo), Mamestra configurata (larva Bertha) , los gusanos cornudos Manduca sexta y Manuduca quinquemaculata , Operophtera brumata (polilla de invierno) , Ostrinia nubilalis (barrenador de maíz europeo) , Panolis flammea (polilla bella de pino) , Pectinophora gossypiella (gusano de rosa) , Phyllocnistis citrella (mosca del garbanzo de los cítricos) , Pieris brassicae (mariposa blanca del repollo) , Plutella xylostella (polilla de culebra de cascabel) , Rachiplusia ni (oruga de fríjol de soya), Spilosoma virginica (polilla de carga amarilla), Spodoptera exigua (larva de remolacha), Spodoptera frugiperda (larva de otoño) , Spodoptera littoralis (gusano de hoja de algodón) , Spodoptera litura (gusano cortador común) , Spodoptera praefica (larva rayada amarilla) , Sylepta derogata (gusano enrulador de la hoja de algodón) , Tineola bisselliella (polilla de ropa de correas) , Tineola pellionella (polilla tejedora de la ropa) , Tortrix víridana (gusano enrollador de hoja de roble europeo), Trichoplusia ni (oruga de repollo) , Yponomeuta padella (polilla de armiño pequeña) ; Ortópteros tal como el grillo común Acheta domesticus, langosta de árbol [Anacridium spp.)> la langosta migratoria Locusta migratoria , el saltamontes de dos rayas Melanoplus bivittatus, el saltamontes diferencial Melanoplus differentialis, el saltamontes bahari Melanoplus femurrubrum, el saltamontes migratorio Melanoplus sanguinipes, el grillo topo del norte Neocurtilla hexadectyla , la langosta roja Nomadacris septemfasciata , el grillo topo de ala corta Scapteriscus abbreviatus, el grillo topo del sur Scapteriscus borellii, el grillo topo tawny Scapteriscus vicinus, y la langosta del desierto Schistocerca gregaria ; ftiráptera tal como el piojo que muerde ganado Bovicola bovis, piojos masticadores (Damalinia spp.), el piojo de gato Felicola subrostrata , el piojo de nariz corta del ganado Haematopinus eurysternus, el piojo de la cola del ganado Haematopinus quadripertussus, el piojo Haematopinus suis, el piojo de cara Linognathus ovillus, el piojo de pata Linognathus pedalis, el piojo chupador del perro Linognathus setosus, piojo del ganado de nariz larga Linognathus vituli, el piojo del cuerpo del pollo Menacanthus stramineus, piojo aviar Menopon gallinae, el piojo del cuerpo humano Pediculus humanus, el piojo púbico Phthirus pubis, piojo del ganado azul pequeño Solenopotes capillatus, y el piojo mordedor del perro Trichodectes canis; Psocópteros tal como el piojo de los libros Liposcelis bostrychophila , Liposcelis decolor, Liposcelis entomophila , y Trogium pulsatorium; Sifonápteros tal como pulga del pollo europeo Ceratophyllus gallinae, la pulga del perro Ctenocephalides canis, la pulga del gato Ctenocephalides felis, la pulga del humano Pulex irritans, y la pulga de la rata oriental Xenopsylla cheopis; Sinfilos tal como los sinfilos de jardín Scutigerella immaculata; Tisanuros tal como el pescadito de plata Ctenolepisma longicaudata , el pescadito de plata de cuatro líneas Ctenolepisma quadriseriata , el pescadito de plata común Lepisma saccharina , y la pescadito de plata Thermobia domestica ; Tisanópteros tal como trips del tabaco Frankliniella fusca, los trips de las flores Frankliniella intonsa, los trips de las flores del oeste Frankliniella occidentalis, trips del brote de algón Frankliniella schultzei, los trips de invernadero con bandas Hercínothrips femoralis, los trips del fríjol de soya Neohydatothrips variabilis, los trips de cítricos de Kelly Pezothrips kellyanus, los trips de aguacate Scirtothrips perseae, los trips del melón Thrips palmi, y los trips de la cebolla Thrips tabaci; y similares, y combinaciones que comprende uno o más de los insectos anteriores. En una modalidad, las composiciones insecticidas que comprenden los imitadores U-ACTX se emplean para tratar ectoparásitos . Los ectoparásitos incluyen, por ejemplo, pulgas, garrapata, sarna, ácaros, mosquitos, chinche y moscas picadoras, piojo, y combinaciones que comprende uno o más de los ectoparásitos anteriores. El término pulgas incluye las especies usuales o accidentales de pulgas parásito del orden Sifonápteros, y en particular las especies Ctenocephalides, en particular C. felis y C. canis, pulgas de rata (Xenopsylla cheopis) y pulgas de humanos {Pulex irritans) . Pueden tratarse ectoparásitos en animales de granja (por ejemplo, ganado), animales de compañía (por ejemplo, gatos y perros), y humanos. En el caso de animales de granja y domésticos, el tratamiento puede incluir la impregnación en un collar o aplicación tópica a una región localizada seguido por la difusión a través de la dermis del animal y/o acumulación en glándulas sebáceas. En el caso de humanos, el tratamiento puede incluir una composición apropiada para el tratamiento de piojos en humanos. Tal composición puede ser apropiada para aplicación al cuero cabelludo de humano tal como un champú o acondicionador. La invención se ilustra además por lo siguientes ejemplos no limitantes.

Ejemplos EJEMPLO 1: Producción de rü-ACTX-Hyla para Estudios de Función de Estructura Un derivado del miembro de la familia U-ACTX prototípico, rU-ACTX-Hvla (SEQ ID NO: 1) (Figura 1), se eligió para análisis de función de estructura. Un gen sintético para rU-ACTX-Hvla, con codones optimizados para la expresión en Escheríchia coli, se clonó en un plásmido pGEX-2T y el plásmido derivado resultante (pBLSl) se usó para transformar células BL21 de E. coli. La toxina se produce de este plásmido como una fusión a la terminal C de la glutatión S-transferasa (GST, por sus siglas en inglés), con un sitio de desdoblamiento de trombina entre la GST y las regiones que codifican la toxina. Las células se hicieron crecer en medio LB a 37 °C hasta un A6oo de 0.6-0.8 antes de la inducción de la proteina de fusión con isopropil-l-tio^-D-galactopiranosida (IPTG, por sus siglas en inglés) 300 µ?. Las células se cosecharon por centrifugación a un A60o de 1.9-2.1 y se congelan hasta un uso adicional. Los peletizados se descongelaron y luego se volvieron a suspender en solución amortiguadora de lisis (NaCl 50 mM, Tris 50 mM, EDTA 1 mM, pH 8.0). Las células se Usaron entonces por sonicación. La proteina de fusión recombinante se purificó de la fracción de la célula soluble usando cromatografía de afinidad en columnas GSH-Sepharose (Amersham Biosciences ) . Después de la purificación en la columna, las perlas de la columna se equilibraron y volvieron a suspender en solución amortiguadora de trombina (NaCl 150 mM, Tris 20 mM, CaCl2 1 mM, pH 8.0) antes de la adición de 50 U de trombina de bovino (Sigma) . La columna se colocó en un incubador a 37°C durante la noche y se permite el desdoblamiento proteolitico de la proteina 'de fusión. La toxina liberada se eluyó de la columna con solución salina amortiguada en Tris (NaCl 150 mM, Tris 50 mM, pH 8.0). La toxina se purificó inmediatamente usando HPLC de fase inversa (rp, por sus siglas en inglés) antes de liofilizar. La toxina liofilizada se volvió a suspender entonces en una solución amortiguadora apropiada. La toxina recombinante plegada correctamente se separó de isómeros enlazados a disulfuro no nativos y otros contaminantes por HPLCrp usando una columna analítica Vydac Cíe (4.6 x 250 mm, tamaño de poro 5 µp?) . La toxina se eluyó de la columna a una relación de flujo de 1 mi min-1 usando un gradiente lineal de 10-18% acetonitrilo durante 20 minutos. La toxina correctamente plegada se eluye como el pico principal con un tiempo de retención de 9-10 minutos. El peso molecular de toxina se verificó usando espectrometría de masa de electrorocío . El rendimiento de la toxina recombinante correctamente plegada se estimó de la integración de los picos HPLC relevantes y se encontró que es ~70-80%.

EJEMPLO 2: Determinación de la Estructura Tridimensional de rU-ACTX-Hyla Los experimentos de RMN se realizaron usando un espectrómetro de RMN Varían INOVA 600 de cuatro canales equipado con gradientes de campo de pulso. Todos los experimentos se realizaron a 25°C. Todos los datos se procesaron usando RMNPipe. Los espectros procesados se analizaron y los picos se integraron usando el programa XEASY. Los datos de los experimentos 3D HNCACB, CBCA(CO)NH, HNCACO, HNHA, y HNHB se usaron para hacer las asignaciones de cambios químicos 1H, 15N, y 13C de respaldo. Las asignaciones de cambio químico para átomos de cadena lateral se hicieron usando espectros 3D C (CO) NH-TOCSY, HC (CO) NH-TOCSY y HCCH-COSY. El conjunto completo de asignaciones de cambio químico 1H, 15N, y 13C para rU-ACTX-Hvla se ha depositado en el BioMagResBank con el Número de Acceso 7117. Las restricciones de distancia interprotones se obtuvieron de la integración de intensidades de pico en espectros 3D NOESY editado en 1N y NOESY editado en 13C . Las asignaciones NOE se hicieron inicialmente usando el macro CANDID en CYANA, luego retinando manualmente. Las intensidades de picos cruzados de los espectros NOESY se convirtieron en restricciones de distancia usando el macro CALIBRA en el programa CYANA.

Las restricciones de ángulo diédrico se obtienen de análisis TALOS de Ha, Ca, p, y HN; para cálculos de estructura, el rango de cada restricción se estableció hasta dos veces la desviación estándar de la predicción TALOS. El análisis de acoplamientos ??-?ß derivado del experimento 3D HNHB, acoplado con intensidades ?a-?ß y HN-Hp NOE medidas desde experimentos NOESY editado en 15N y 13C, se usaron para generar restricciones ?? y asignaciones estereoespecificas de protones ß-metileno. Otras asignaciones estereoespecificas se hacen por análisis de estructuras preliminares computadas usando el programa de computo CYANA. Los enlaces de disulfuro se asignaron del patrón de enlace de disulfuro determinado experimentalmente en las toxinas ?-ACTX-Hvla y J-ACTX-Hvlc, que son parte de la misma superfamilia de toxina. Ls enlaces de disulfuro en rU-ACTX-Hvla son de esta manera Cys3-Cysl8, Cysl0-Cys23, y Cysl7-Cys37. Se determinaron los enlaces de hidrógeno en dos formas: (i) de la observación directa de acoplamientos escalados enlazados a hidrógeno en un experimento 2D HNCO; (ii) del análisis de un experimento de intercambio de hidrógeno-deuterio en el cual una muestra del rU-ACTX-Hvla liofilizado se disolvió en D20 al 100% y el intercambio de protones HN con deuterones solventes se vigiló del cambio en intensidades pico en un curso de tiempo de espectro 2D HSQC. Este análisis lleva a la asignación de 14 enlaces hidrógeno, como se resume en la Tabla 1. Para cálculos de estructura, la distancia 0-N y 0-HN para cada enlace hidrógeno se restringió hasta el rango de 2.7-3.1 Á y 1.7- 2.1 Á, respectivamente. Tabla 1: Enlaces de hidrógeno observados en la estructura de rU-ACTX-Hvla Usando todas las restricciones derivadas experimentalmente, 1000 estructuras de rU-ACTX-Hvla se calcularon de estructuras aleatorias de partida usando el programa de computadora CYANA. Las mejores 60 estructuras, definidas como aquellas con los valores de función de penalización final más bajos, se retinaron luego por renaturalización simulada dinámico usando el programa de computadora X-PLOR. Las 25 estructuras con las energías moleculares más bajas en X-PLOR se eligieron para representar la estructura rU-ACTX-Hvla (Figura 2) . Las coordenadas atómicas para el conjunto de 25 estructuras rU-ACTX-Hvla , junto con la lista de restricciones usadas para cálculos de estructura, se han depositado en el Protein Data Bank bajo el Número de Acceso 2H1Z. El conjunto de estructuras rU-ACTX-Hvla es altamente preciso; la desviación de raíz cuadrada media (rmsd) sobre los átomos N, C , y Ca de columna de la región bien definida (residuos 3-39) es 0.14 ± 0.05 Á relativa a una estructura coordinada media calculada. La rmsd sobre todos los átomos pesados de residuos 3-39 es 0.59 ± 0.07 Á relativa a la estructura coordinada media. El análisis del conjunto de estructuras rU-ACTX-Hvla usando el programa PROCHECK indica que 85% de los residuos no Gly/no Pro están en la región "más favorable" de una gráfica de Ramachandran, mientras el 15% restante está en regiones "adicionalmente permitidas" (Figura 3). No hay residuos en la región prohibida (Figura 3) . La Figura 4 muestra un esquema de Richardson de la estructura tridimensional de rU-ACTX-Hvla generada usando el programa de computadora MOLMOL . El principal elemento de estructura secundaria es una horquilla ß de terminal C que comprende hebra ß 1 (ß?, residuos 22-27) y hebra ß 2 (ß2, residuos 33-38) . EJEMPLO 3 : Determinación de la Especificación Farmacofórica Funcional de rU-ACTX-Hyla Los residuos que son críticos para la función de rU-ACTX-Hvla se determinaron usando mutagénesis de barrido de alanina. En este enfoque, residuos individuales se mutaron a alanina, luego la actividad de la toxina mutante se comparó al de rU-ACTX-Hvla tipo silvestre (SEQ ID NO : 1 ) . Los seis residuos de cisteina que comprenden la porción de ligadura de cisteina inhibidora de rU-ACTX-Hvla (esto es, Cys3, CyslO, Cysl7, Cysl8, Cys23, y Cys37) se excluyeron de la exploración de alanina ya que se presume que son importantes para definir la estructura tri-dimensional de la toxina; estos residuos de cisteina enterrada no se espera para interactuar con los canales de iones de insecto dirigidos por rU-ACTX-Hvla. Ala21 y Ala39 no se mutaron también. Los 28 residuos sin alanina restantes presentes en la estructura primaria de rU-ACTX-Hvla se mutaron individualmente a alanina. La mayoría de las toxinas mutantes se sobreproduj eron exitosamente en Escherichia coli como proteínas de fusión GST solubles, como se describe arriba por rU-ACTX-Hvla tipo silvestre. Sin embargo, la proteína de fusión L10A resultó insoluble, y además la mutación de este residuo no se persiguió. La cadena lateral de alanina se puede alojar en la mayoría de los tipos de estructura secundaria de polipéptido (esto es, hélice a, hoja ß, y giro ß) y por lo tanto se utiliza comúnmente en mutagénesis de barrido con objeto de minimizar la posibilidad de introducir importantes perturbaciones estructurales. Sin embargo, aún substituciones de alanina generalmente son usualmente bien toleradas, cada mutante rU-ACTX-Hvla se analizó por perturbaciones estructurales relativas a la toxina tipo silvestre. Las muestras de rU-ACTX-Hvla (SEQ ID NO : 1 ) y mutantes del mismo se prepararon por adquisición de 2D 1H-15N HSQC espectro por sobreproducción en crecimiento de células de Escherichia coli BL21 en medios mínimos con 15N como la única fuente de nitrógeno. El espectro 2D HSQC de cada toxina mutante uniformemente etiquetada 15N se comparó con el espectro HSQC de rU-ACTX-Hvla tipo silvestre adquirido usando condiciones experimentales idénticas. Si el espectro HSQC de la toxina mutante cerradamente superpuesta en el espectro HSQC de rU-ACTX - Hvla , se concluyó que la substitución de alanina introducida no causa ninguna de las perturbaciones estructurales importantes en la toxina mutante . Los espectros HSQC se compararon cuantitativamente al medir la diferencia entre el desplazamiento químico de cada pico en el espectro HSQC de rU-ACTX-Hvla y el desplazamiento químico del pico correspondiente en el espectro de la toxina mutante. La diferencia de desplazamiento químico (?d) se calculó usando la siguiente ecuación: ?d = [(.17 * ?d?)2 + ?d?2]1/2 (Ecuación 1) donde ?d? y ?d? son las diferencias en desplazamientos químicos de picos HSQC en las dimensiones de nitrógeno (15N) y protón (XH) respectivamente. Un mutante se consideró estructuralmente perturbado relativo a rU-ACTX-Hvla si 10% o más de los picos en el espectro HSQC tiene valores ?d mayores que 0.25 ppm . Con base en este criterio, solamente cuatro toxinas mutantes muestran diferencias de desplazamiento químico indicativas de una perturbación estructural. El espectro HSQC del mutante E26A fue dramáticamente diferente al de rU- ACTX-Hvla, que indica una importante perturbación estructural. Esto se excluyó por lo tanto a partir de los ensayos funcionales. El espectro HSQC de otros tres mutantes, nombrados, T14A, Y35A y R38A, revela que los picos de residuos 4-6 tiene ?d > 0.25 ppm, indicativo de una perturbación estructural. La actividad in vivo de cada uno de los 27 mutantes de exploración de alanina restantes se determinó al evaluar sus valores LD50, relativos al de rU-ACTX-Hvla , cuando se inyecta en moscas de casa (Musca domestica) . 20 de los mutantes exhibieron menos de una disminución cinco veces en actividad insecticida relativa a rU-ACTX-Hvla (ver Tabla 2) . Se concluyó que estos 20 residuos no son críticos para actividad de toxina. Hay siete residuos para cuya mutación a alanina lleva a más de una disminución 5 veces en actividad insecticida; estos residuos son Gln8 , Pro9, Asn28, Thr33, Val34, Tyr35, y Tyr36. Sin embargo, el análisis estructural HSQC resumido anteriormente indica que el mutante Y35A se perturbó estructuralmente relativo a la estructura rU-ACTX-Hvla tipo silvestre. Así, hay seis residuos que parecen ser importantes para la actividad insecticida de rU- ACTX-Hvla : Gln8 , Pro9, Asn28, Thr33, Val34, y Tyr36.

La mayoría de los residuos críticos para la acción insecticida o rU-ACTX-Hvla son Gln8 , Pro9, Asn28, y Val34, ya que la mutación de estos residuos a alanina causa una reducción de 19-164 veces en potencia de insecticida. En contraste, la mutación de Thr33 y Tyr36 a alanina causa solamente una pequeña reducción 5.3-7.2 veces en actividad de toxina. Los cuatro residuos críticos se ubican en proximidad cerrada en una cara sencilla de la toxina (Figura 5) y que más probablemente representan el epítopo primario para la interacción de la toxina con canales de iones de insecto objetivo. Estos residuos son los elementos farmacofóricos primarios de rU-ACTX- Hvla . Los cuatro elementos farmacofóricos primarios hacen una característica casi contigua en la superficie de la toxina, que es la especificación farmacofórica funcional (Figura 5) . El área de superficie enlazada por estos residuos es similar al de insecticida orgánico típico o agente farmacéutico. Tabla 2: valores LD5 y reducción en múltiplos en actividad de toxinas mutantes Reducción en ¿Correctamente Toxina de péptido LD50 (pmol g"')a múltiplos en actividad' plegado?' U-ACTX-Hvla (SEQ ID NO:l) 76 ±7 - SI U-ACTX-Hvla (V4 A) 58 ± 10 0.76 SI U-ACTX-Hvla (P5 A) 329 ± 29 4.32 SI U-ACTX-Hvla (V6A) 79 + 52 1.04 SI U-ACTX-Hvla (D7 A) 44 ±2 0.58 SI U-ACTX-Hvla (Q8 A) 1445 ±253 19.0 SI U-ACTX-Hvla(P9A) 2069 ± 576 27.2 SI U-ACTX-Hvla (SI 0A) 24 ±5 0.31 SI U-ACTX-Hvla (NI 3 A) 158 ±29 2.08 SI U-ACTX-Hvla (TI 4A) 97 ±8 1.28 NO U-ACTX-Hvla(Q15A) 134 ± 16 1.76 SI U-ACTX-Hvla(PlóA) 67 ±20 0.88 SI U-ACTX-Hvla (DI 9A) 144 ±61 1.89 SI U-ACTX-Hvla (D20A) 30±2 0.39 SI U-ACTX-Hvla (T22 A) 41 ±8 0.54 SI U-ACTX-Hvla(T24A) 111 ± 11 1.46 SI U-ACTX-Hvla (Q25 A) 240 ± 98 3.15 SI U-ACTX-Hvla (R27A) 119 ± 3 1.57 SI U-ACTX-Hvla (N28A) 12,473 ±898 U SI U-ACTX-Hvla (E29A) 80 ± 15 1.05 SI U-ACTX-Hvla (N30A) 99 ±3 1.30 SI U-ACTX-Hvla (G31 A) 215 ± 37 2.82 SI U-ACTX-Hvla (H32 A) 184 ±25 2.42 SI U-ACTX-Hvla (T33 A) 547 ± 96 7.19 SI U-ACTX-Hvla (V34A) 3350153 4.1 SI U-ACTX-Hvla (Y35 A) 1329 ±201 7.5 NO U-ACTX-Hvla (Y36A) 400 ±81 5.26 SI U-ACTX-Hvla (R38A) 375 ±21 4.93 NO a Los valores LD50 se determinaron por inyección en Musca domestica . b La reducción en múltiplos en actividad para cada una de las toxinas mutantes, relativa a la toxina tipo silvestre (SEQ ID No: 1) , se calculó como (LD50 de mutante ) / ( LD50 de U-ACTX-Hvla) . Un valor menos de 1.00 indica que el mutante es más activo que la toxina nativa (SEQ ID NO: 1) . c El pliegue se evaluó al comparar el espectro HSQC del mutante con el de rU-ACTX - Hvla . Están descritos en la presente los métodos para identificar imitadores estructurales y/o funcionales del polipéptido U-ACTX que son útiles como insecticidas. En particular, un modelo molecular hecho de los coordinados atómicos para la toxina de insecticida rU-ACTX-Hvla que tiene PDB ID 2H1Z y RCSB ID RCSB037828 se emplean para identificar una molécula candidato que imita la estructura del modelo molecular rU- ACTX-Hvla . Identificar los residuos farmacofóricos Q8 , P9, N28, y V34 en el modelo molecular usando el modelo molecular que ayuda en identificar imitadores U-ACTX funcionales. En particular, los imitadores que exhiben mortalidad a insectos, inhibición de canales de calcio de insecto, inhibición de canales de potasio activados con calcio de insecto, que enlazan a canales de calcio de insecto, que enlazan a canales de potasio activados con calcio de insecto, o una combinación de uno o más de lo anterior son particularmente deseables. Los términos "primero," "segundo," y similares, en la presente no denotan cualquier orden, cantidad, o importancia, pero más bien se usan para distinguir un elemento de otro, y los términos "un" y "uno" en la presente no denotan una limitación de cantidad, pero más bien denota la presencia de al menos uno del tema de referencia. Todos los rangos descritos en la presente son inclusivos y combinables. Aunque la invención se ha descrito con referencia a una modalidad preferida, se entenderá por aquellos expertos en la técnica que diversos cambios se pueden hacer y los equivalentes se pueden substituir para elementos de los mismos sin apartarse del alcance de la invención. Además, muchas modificaciones se pueden hacer para adaptar una situación particular o material a las enseñanzas de la invención sin apartarse del alcance esencial del mismo. Por lo tanto, se pretende que la invención no se limite a la modalidad particular descrita como la mejor forma contemplada para llevar a cabo esta invención, pero que la invención incluirá todas las modalidades que caen dentro del alcance de las reivindicaciones anexas. Todas las patentes citadas, solicitudes de patente, y otras referencias se incorporan en la presente como referencia en su totalidad. La Tabla 3 que contiene las coordenadas para U-ACTX se presenta a continuación. Dicha información se incorpora en la presente como referencia.

ENCABEZADO TOXINA TITULO ESTRUCTURA DE UNA TOXINA DE ARANA DE OBJETIVO DOBLE COMPUESTO MOL_ID: 1 ; COMPUESTO 2 MOLECULA: ATRACOTOXINA HIBRIDA COMPUESTO 3 CADENA: A; COMPUESTO 4 PRODUCIDO POR INGENIERIA: SI FUENTE MOL_ID: 1 ; FUENTE 2 ORGANISMO CIENTIFICO: HANDRONYCHE VERSUTA; FUENTE 3 ORGANISMO COMUN: ARAÑA DE TELARAÑA EN EMBUDO DE LAS MONTAÑAS AZULES; FUENTE 4 TEJIDO: VENENO; FUENTE 5 SISTEMA DE EXPRESION: ESCHERICHIA COLI; FUENTE 6 SISTEMA DE EXPRESION COMUN: BACTERIA; FUENTE 7 SISTEMA DE EXPRESION DE CEPA; BL21; FUENTE 8 SISTEMA DE EXPRESION TIPO VECTOR: PLASMIDO; FUENTE 9 SISTEMA DE EXPRESION DE PLASMIDO: DERIVADO PGEX2T PAL CLAV BETA-HORQUILLA, NUDO DE CISTEINA EXPEDIENTE RMN, ESTRUCTURAS 25 AUTOR B.L. SOLLOD, M.W . MACIEJEWSKI ,G.F. KING PUBLICACION AUTOR B.L. SOLLOD, S . J. GONNING, M.W. ACIEJEWSKI, PUBLICACION AUTOR G.M. NICHOLSON,G.F. KING PUBLICACION TIT. UNA TOXINA AUTOSINERGIZANTE DE ARAÑA DE OBJETIVO DOBLE PUBLICACION TIT. VENENO PUBLICACION REF PARA PUBLICARSE PUBLICACION REFN COMENTARIO COMENTARIO REFERENCIA 1 COMENTARIO AUTOR J. I . FLETCHER, . SMITH, S . I .O ' DONOGHUE, M.NILGES, COMENTARIO AUTOR M . CONNOR,M.E . HOWDEN, M. J. CHRISTIE, G. F. KING COMENTARIO TIT. THE STRUCTURE OF A NOVEL INSECTICIDAL NEUROTOXIN, COMENTARIO TIT. OMEGA-ATRACOTOXIN-HV1, FROM THE VENOM OF AN COMENTARIO TIT. AUSTRALIAN FÜNNEL WEB SPIDER COMENTARIO REF NAT . STRUCT .MOL . BIOL . V. 4 559 1997 COMENTARIO REFN OS ISSN 1545-9993 COMENTARIO REFERENCIA 2 COMENTARIO AUTOR X . -H .WANG, M . CONNOR, . SMITH, M.W.MACIEJEWSKI, COMENTARIO AUTOR 2 M.E. HOWDEN, G.M. NICHOLSON, M. J. CHRISTIE, G. F. KING COMENTARIO TIT. DISCOVERY AND CHARACTERIZATION OF A FAMILY OF COMENTARIO TIT. 2 INSECTICIDAL NEUROTOXINS WITH A RARE VICINAL COMENTARIO TIT. 3 DISULFIDE BRIDGE COMENTARIO REF NA . STROCT . OL . BIOL . V. 7 505 2000 COMENTARIO REFN US ISSN 1545-9993 COMENTARIO REFERENCIA 3 COMENTARIO AUTOR B.L. SOLLOD, D. ILSON, O. ZHAXYBAYEVA, J. P . GORGARTEN, COMENTARIO AUTOR 2 R. DRINKWATERjG.F.KING COMENTARIO TIT. WERE ARACHNIDS THE FIRST TO OSE COMBINATORIAL COMENTARIO TIT. 2 PEPTIDE LIBRARIES? COMENTARIO REF PEPTIDES V. 26 131 2005 COMENTARIO REFN US ISSN 0196-9781 COMENTARIO COMENTARIO RESOLUCION. NO APLICABLE. COMENTARIO COMENTARIO REFINAMIENTO . COMENTARIO PROGRAMA X-PLOR 3 851 COMENTARIO AUTORES BRUNGER, A. COMENTARIO COMENTARIO OTROS COMENTARIOS DE REFINAMIENTO: NULOS COMENTARIO COMENTARIO 4 2H1Z CUMPLE CON EL FORMATO V.2.3, 09-JULIO-1998 COMENTARIO 100 COMENTARIO 100 ESTA ENTRADA SE HA PROCESADO POR RCSB EL 18-MAYO-2006. COMENTARIO IOO EL CODIGO IN RCSB ES RCSB037828. COMENTARIO 210 COMENTARIO 210 DETALLES EXPERIMENTALES COMENTARIO 210 TIPO DE EXPERIMENTO RMN COMENTARIO 210 TEMPERATURA (KELVIN) 298 COMENTARIO 210 PH 6.0 COMENTARIO 210 FUERZA IONICA 50 MM DE NACL, 20 MM DE NAPI COMENTARIO 210 PRESION 1 ATM COMENTARIO 210 CONTENIDOS DE MUESTRA 1 MM DE U-15N, 13C DE ATRACOTOXINA COMENTARIO 210 HIBRIDA; SO MM DE NACL; 20 MM DE COMENTARIO 210 FOSFATO DE SODIO, 90% DE H20, 10% DE COMENTARIO 210 D20; 1 MM DE U-15N. 13C ATRACOTOXINA COMENTARIO 210 HIBRIDA; 50 MM DE NACL; 20 MM DE COMENTARIO 210 FOSFATO DE SODIO, 100% DE D20 COMENTARIO 210 COMENTARIO 210 EXPERIMENTOS RMN CONDUCIDOS 3D_15N-SEPARATED_NOESY, HNHA, COMENTARIO 210 HNHB, 3D_13C-SEPARATED_NOES COMENTARIO 210 ESPECTROMETRO DE CAMPO FUERTE 600 MHZ, 500 MHZ COMENTARIO 210 MODELO DE ESPECTROMETRO INOVA COMENTARIO 210 FABRICANTE DE ESPECTROMETRO VARIAN COMENTARIO 210 COMENTARIO 210 DETERMINACION DE ESTRUCTURA COMENTARIO 210 SOFWARE USADO NMRPIPE, XEASY, CYANA 1.1 COMENTARIO 210 METODO USADO DINAMICAS DE ANGULO DE TORSION COMENTARIO 210 (CYANA) SEGUIDO POR COMENTARIO 210 RENATURALIZADO SIMULADO COMENTARIO 210 COMENTARIO 210 CONFORMADORES. NUMERO CALCULADO 60 COMENTARIO 210 CONFORMADORES, NUMERO SOMETIDO 25 COMENTARIO 210 CONFORMADORES, CRITERIO DE SELECCION ESTRUCTURAS CON LA ENERGIA COMENTARIO 210 MINIMA COMENTARIO 210 COMENTARIO 210 CONFORMADOR MEJOR REPESENTADO EN ESTE CONJUNTO: 1 COMENTARIO 210 COMENTARIO 210 COMENTARIO:LAS RESTRICCION DEL ANGULO DIEDRO SE GENERARON DEL ANALISIS COMENTARIO 210 DE TALOS DE DATOS DE GIRO QUIMICO COMENTARIO 215 COMENTARIO 215 ESTUDIO RMN COMENTARIO 215 LAS COORDENADAS DE ESTA ENTRADA SE GENERARON DE DATOS RMN DE SOLUCION. COMENTARIO 215 LAS CONVENCIONES DE BANCOS DE DATOS DE PROTEINAS REQUIEREN QUE LOS COMENTARIO 215 REGISTROS DE ESCALA Y CRYST1 SE INCLUYAN, PERO LOS VALORES 5 ON COMENTARIO 215 DE ESTOS REGISTROS ESTAN VACIOS COMENTARIO 500 COMENTARIO 500 GEOMETRIA Y ESTEREOQUIMICA COMENTARIO 500 SUBTEMA: LONGITUDES DE ENLACES DE COVALENTES COMENTARIO 500 COMENTARIO 500 LOS PARAMETROS ESTEREOQUIMICOS DE LOS SIGUIENTES RESIDUOS COMENTARIO 500 TIENE VALORES QUE SE DESVIAN DE VALORES ESPERADOS POR MAS COMENTARIO 500 DE 6*RMSD (M=NUMERO DE MODELO; RES=NOMBRE DEL RESIDUO; C= IDENTIFICADOR COMENTARIO 500 DE CADENA; SSEQ= NUMERO DE SECUENCIA; l= CODIGO DE INSERCION). COMENTARIO 500 COMENTARIO 500 TABLA ESTANDAR : COMENTARIO 500 FORMATO: ( 10X, 13, IX, 2 (A3, IX, Al , 1 , Al , IX, A4 , 3X) , F6.3) COMENTARIO 500 COMENTARIO 500 VALORES ESPERADOS: ENGH Y HUBER, 1991 COMENTARIO 500 COMENTARIO 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DESVIACION COMENTARIO 500 1 GLY A 1 N GLY A 1 CA 0.037 COMENTARIO 500 2 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 3 GLY A 1 N GLY A 1 CA 0.039 COMENTARIO 500 4 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 5 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 6 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 7 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 8 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 9 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 10 GLY A 1 N GLY A 1 CA 0.039 COMENTARIO 500 11 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 12 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 13 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 14 GLY A 1 N GLY A 1 CA 0.036 COMENTARIO 500 15 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 16 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 17 GLY A 1 N GLY A 1 CA 0.037 COMENTARIO 500 18 GLY A 1 N GLY A 1 CA 0.039 COMENTARIO 500 19 GLY A 1 N GLY A 1 CA 0.037 COMENTARIO 500 20 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 21 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 22 GLY A 1 N GLY A 1 CA 0.039 COMENTARIO 500 23 GLY A 1 N GLY A 1 CA 0.038 COMENTARIO 500 24 GLY A 1 N GLY A 1 CA 0.039 COMENTARIO 500 25 GLY A 1 N GLY A 1 CA 0.03B COMENTARIO 500 COMENTARIO 500 GEOMETRIA Y ESTEREOQUIMICA COMENTARIO 500 SUBTEMA: ANGULOS DE ENLACES COVALENTES COMENTARIO 500 COMENTARIO 500 LOS PARAMETROS ESTEREOQUIMICOS DE LOS SIGUIENTES RESIDUOS COMENTARIO 500 TIENEN VALORES QUE SE DESVIAN DE LOS VALORES ESPERADOS POR MAS COMENTARIO 500 DE 6*RMSD (IV 1= NUMERO DE MODELO; RES= NOMBRE DEL RESIDUO: C= COMENTARIO 500 IDENTIFICADOR DE CADENA;SSEQ= NUMERO DE SECUENCIAS CODIGODE INSERCK COMENTARIO 500 COMENTARIO 500 TABLA ESTANDAR : COMENTARIO 500 FORMATO: (10X, 13, IX, A3,1X, ,A1, I4,A1,3(1X,A4,2X) ,12X,: F5.1) COMENTARIO 500 COMENTARIO 500 VALORES ESPERADOS: ENGH Y HUBER, 1991 COMENTARIO 500 COMENTARIO 500 M RES CSSEQI ATM1 ATM2 ATM3 COMENTARIO 500 1 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 3 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 5 GRADOS COMENTARIO 500 4 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 5 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 5 GRADOS COMENTARIO 500 8 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 9 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 10 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 11 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 3 GRADOS COMENTARIO 500 13 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 14 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 15 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 16 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 5 GRADOS COMENTARIO 500 17 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 18 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. 4 GRADOS COMENTARIO 500 19 THR A 24 CA - CB - CG2 ANGL. DEV. 3.,5 GRADOS COMENTARIO 500 20 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. .4 GRADOS COMENTARIO 500 22 THR A 24 CA - CB - CG2 ANGL. DEV. 3. .5 GRADOS COMENTARIO 500 23 THR A 24 CA - CB - CG2 ANGL. DEV. = 3. ,4 GRADOS COMENTARIO 500 24 THR A 24 CA - CB - CG2 ANGL. DEV. 3. .4 GRADOS COMENTARIO 500 25 THR A 24 CA - CB - CG2 ANGL. DEV. = 3, .4 GRADOS SEQRES 1 A 39 GLY SER CYS VAL PRO VAL ASP GLN PRO CYS SER LEU ASN SEQRES 2 A 39 THR GLN PRO CYS CYS ASP ASP ALA THR CYS THR GLN GLU SEQRES 3 A 39 ARG ASN GLU ASN GLY HIS THR VAL TYR TYR CYS ARG ALA LAMINA 1 A 2 THR A 22 ARG A 27 0 LAMINA 2 A 2 THR A 33 ARG A 38 -1 O TYR A 36 N THR A 24 ENLACE SS 1 CYS A 3 CYS A 18 ENLACE SS 2 CYS A 10 CYS A 23 ENLACE SS 3 CYS A 17 CYS A 37 CRYST1 1.000 1.000 1.000 90. 00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 ESCALA1 1.000000 0.000000 0.000000 0.00000 ESCALA2 0.000000 1.000000 0.000000 0.00000 ESCALA3 0.000000 0.000000 1.000000 0.00000 MODELO 1 TABLA 3 ATOMO 1 N GLY A 1 -1. 140 -14. .673 1, .899 1, .00 0. .00 N ATOMO 2 CA GLY A 1 -1.514 -14. .536 3. .333 1, .00 0. .00 C ATOMO 3 C GLY A 1 -1. 834 -13. .104 3. .714 1, .00 0. .00 C ATOMO 4 O GLY A 1 -2. 882 -12. .575 3, .344 1, .00 0, ,00 O ATOMO 5 1H GLY A 1 -1. 646 -13, .967 1, .328 1. .00 0. ,00 H ATOMO 6 2H GLY A 1 -1. 386 -15. .623 1, .554 1. .00 0. .00 H ATOMO 7 3H GLY A 1 -0. 116 -14. ,530 1. .781 1, .00 0. .00 H ATOMO 8 1HA GLY A 1 -2. 381 -15. ,150 3, .528 1, ,00 0. .00 H ATOMO 9 2HA GLY A 1 -0. 694 -14, ,885 3, .944 1, .00 0, .00 H ATOMO 10 N SER A 2 -0. 929 -12. ,475 4. .458 1, .00 0, .00 N ATOMO 11 CA SER A 2 -1. 121 -11. .095 4, .890 1, .00 0, .00 C ATOMO 12 C SER A 2 -0. 826 -10. .123 3. .753 1. .00 0, .00 C ATOMO 13 O SER A 2 0. 166 -10. .269 3, .037 1. ,00 0, .00 O ATOMO 14 CB SER A 2 -0. 222 -10, .785 6, .088 1, .00 0. .00 C ATOMO 15 OG SER A 2 -0. 374 -9, .439 6, .506 1, .00 0, .00 O ATOMO 16 H SER A 2 -0. 114 -12. .950 4 .721 1, .00 0. .00 H ATOMO 17 KA SER A 2 -2. 153 -10. .982 5. .186 1, .00 0, ,00 H ATOMO 18 1HB SER A 2 -0. 484 -11. ,435 6, .910 1. .00 0. .00 H ATOMO 19 2HB SER A 2 0. 810 -10. ,950 5, .814 1, .00 0, ,00 H ATOMO 20 HG SER A 2 0. 486 -9, ,014 6, .535 1. .00 0. .00 H ATOMO 21 N CYS A 3 -1. 693 -9. , 127 3, .592 1, .00 0, .00 N ATOMO 22 CA CYS A 3 -1. 526 -8. ,129 2, .545 1. .00 0. ,00 C ATOMO 23 C CYS A 3 -2. 167 -6. ,808 2, .953 1. .00 0. .00 C ATOMO 24 O CYS A 3 -2. 914 -6. ,744 3, .930 1. .00 0. ,00 O ATOMO 25 CB CYS A 3 -2. 136 -8. ,621 1. .230 1. .00 0. 00 C ATOMO 26 SG CYS A 3 -3. 914 -9. ,014 1. .325 1. ,00 0. 00 S ATOMO 27 H CYS A 3 -2. 461 -9. ,061 4. ,195 1. ,00 0. 00 H ATOMO 28 HA CYS A 3 -0. 467 -7. ,972 2. .404 1. .00 0. ,00 H ATOMO 29 1HB CYS A 3 -2. 010 -7. .858 0. .477 1. ,00 0. ,00 H ATOMO 30 2HB CYS A 3 -1. 618 -9. ,516 0. .916 1. ,00 0. ,00 H ATOMO 31 N VAL A 4 -1. 872 -5. .759 2. .198 1. ,00 0. ,00 N ATOMO 32 CA VAL A 4 -2. 417 -4. ,441 2. .471 1. ,00 0. 00 C ATOMO 33 C VAL A 4 -3.751 -4.247 1.744 1.00 0.00 c ATOMO 34 0 VAL A 4 -3. 847 -4. 513 0. 551 1.00 0. 00 0 ATOMO 35 CB VAL A 4 -1. 424 -3. 351 2. 027 1.00 0. 00 c ATOMO 36 CG1 VAL A 4 -1. 989 -1. 960 2. 269 1.00 0. 00 C ATOMO 37 CG2 VAL A 4 -0. 100 -3. 531 2. 748 1.00 0. 00 C ATOMO 38 H VAL A 4 -1. 273 -5. 873 1. 433 1.00 0. 00 H ATOMO 39 HA VAL A 4 -2. 564 -4. 355 3. 534 1.00 0. 00 H ATOMO 40 HB VAL A 4 -1. 250 -3. 466 0. 968 1.00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1. 201 -1. 230 2. 175 1.00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2. 412 -1. 912 3. 260 1.00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2. ,760 -1. 756 1. 539 1.00 0. 00 H ATOMO 44 1HG2 VAL A 4 -0. 278 -3. 961 3. 723 1.00 0. 00 H ATOMO 45 2HG2 VAL A 4 0, .383 -2. 573 2. 859 1.00 0. 00 H ATOMO 46 3HG2 VAL A 4 0. ,534 -4. 190 2. 174 1.00 0. 00 H ATOMO 47 N PRO A 5 -4. ,803 -3. 772 2. 437 1.00 0. 00 N ATOMO 48 CA PRO A 5 -6. ,107 -3. 556 1. 807 1.00 0. 00 c ATOMO 49 C PRO A 5 -6. ,057 -2. 435 0. 772 1.00 0. 00 c ATOMO 50 O PRO A 5 -5. ,457 -1. 379 1. 004 1.00 0. 00 0 ATOMO 51 CB RO A 5 -7.032 -3. 172 2. 972 1.00 0. 00 c ATOMO 52 CG PRO A 5 -6, .274 -3. 503 4. ,215 1.00 0. 00 C ATOMO 53 CD PRO A 5 -4. ,819 -3. 398 3. ,860 1.00 0. 00 C ATOMO 54 HA PRO A 5 -6. .470 -4. 460 1. ,335 1.00 0. 00 H ATOMO 55 1HB PRO A 5 -7. .260 -2. 118 2. ,921 1.00 0. 00 H ATOMO 56 2HB PRO A 5 -7. .946 -3. 742 2. ,908 1.00 0. 00 H ATOMO 57 1HG PRO A 5 -6, .521 -2. 797 4. ,994 1.00 0. 00 H ATOMO 58 2HG PRO A 5 -6 .511 -4. 508 4. ,531 1.00 0. 00 H ATOMO 59 1HD PRO A 5 -4, .466 -2. 386 4. .000 1.00 0. 00 H ATOMO 60 2HD PRO A 5 -4 .237 -4. 089 4, .449 1.00 0. ,00 H ATOMO 61 N VAL A 6 -6 .704 -2. 656 -0. .369 1.00 0. 00 N ATOMO 62 CA VAL A 6 -6 .735 -1. 660 -1. ,422 1.00 0. ,00 C ATOMO 63 C VAL A 6 -7 .336 -0. 369 -0. .897 1.00 0. 00 c ATOMO 64 O VAL A 6 -8 .152 -0. ,384 0, .023 1.00 0. ,00 0 ATOMO 65 CB VAL A 6 -7 .522 -2. 165 -2, .648 1.00 0. ,00 C ATOMO 66 CG1 VAL A 6 -7 .594 -1. ,102 -3, .733 1.00 0. .00 C ATOMO 67 CG2 VAL A 6 -6 .878 -3. .428 -3, .185 1.00 0. .00 C ATOMO 68 H VAL A 6 -7 .175 -3. 499 -0, .500 1.00 0. ,00 H ATOMO 69 HA VAL A 6 -5 .715 -1. 470 -1, .728 1.00 0. ,00 H ATOMO 70 HB VAL A 6 -8 .527 -2. ,401 -2 .335 1.00 0. .00 H ATOMO 71 1HG1 VAL A 6 -B .229 -0. ,294 -3 .401 1.00 0. .00 H ATOMO 72 2HG1 VAL A 6 -B .003 -1. ,535 -4 .632 1.00 0. .00 H ATOMO 73 3HG1 VAL A 6 -6 .603 -0. .724 -3, .932. 1.00 0. .00 H ATOMO 74 1HG2 VAL A 6 -5 .821 -3. ,415 -2 .958 1.00 0. .00 H ATOMO 75 2HG2 VAL A 6 -7 .014 -3. ,475 -4, .255 1.00 0. .00 H ATOMO 76 3HG2 VAL A 6 -7 .334 -4. ,289 -2 .723 1.00 0, .00 H ATOMO 77 N ASP A 7 -6 .890 0, ,744 -1 .460 1.00 0. .00 N ATOMO 78 CA ASP .A 7 -7 .335 2. ,058 -1, .038 1.00 0, .00 C ATOMO 79 C ASP A 7 -6 .722 2. ,428 0, .316 1.00 0. .00 c ATOMO 80 O ASP A 7 -7 .060 3. .466 0, .886 1.00 0. .00 0 ATOMO 81 CB ASP A 7 -8 .860 2. .129 -0 .973 1.00 0. .00 c ATOMO 82 CG ASP A 7 -9 .517 1. .621 -2 .241 1.00 0. .00 c ATOMO 83 OD1 ASP A 7 -10 .070 0, .501 -2 .215 1.00 0. .00 0 ATOMO 84 OD2 ASP A 7 -9 .480 2, .343 -3 .260 1.00 0. .00 o ATOMO 85 H ASP A 7 -6 .221 0, .682 -2 .158 1.00 0. .00 H ATOMO 86 HA ASP A 7 -6 .985 2, ,768 -1 .773 1.00 0. ,00 H ATOMO 87 1HB ASP A 7 -9 .208 1. .531 -0, .145 1.00 0. ,00 H ATOMO 88 2HB ASP A 7 -9 .153 3. .153 -0, .824 1.00 0. .00 H ATOMO B9 N GLN A 8 -5 .806 1, .590 0 .830 1.00 0, .00 N ATOMO 90 CA GLN A 8 -5.160 1.870 2.102 1.00 0.00 C ATOMO 91 C GLN A 8 -3 .662 2 .081 1. 903 1 .00 0 .00 c ATOMO 92 0 GLN A 8 -3 .088 1 .595 0. 927 1 .00 0 .00 0 ATOMO 93 CB GLN A 8 -5 .405 0 .736 3. 097 1 .00 0 .00 c ATOMO 94 CG GLN A 8 -6 .864 0 .329 3. 207 1 .00 0 .00 c ATOMO 95 CD GLN A 8 -7 .766 1 .490 3. 577 1 .00 0 .00 c ATOMO 96 OEl GLN A 8 -8 .252 2 .215 2. 709 1 .00 0 .00 o ATOMO 97 NE2 GLN A 8 -7 .995 1 .672 4. 873 1 .00 0 .00 N ATOMO 98 H GLN A 8 -5 .550 0 .774 0. 344 1 .00 0 .00 H ATOMO 99 HA GLN A 8 -5 .590 2 .779 2. 490 1 .00 0 .00 H ATOMO 100 1HB GLN A 8 -4 .833 -0 .127 2. 789 1 .00 0 .00 H ATOMO 101 2HB GLN A 8 -5 .067 1 .051 4. 073 1 .00 0 .00 H ATOMO 102 1HG GLN A 8 -7 .186 -0 .068 2. 256 1 .00 0 .00 H ATOMO 103 2HG GLN A 8 -6 .955 -0 .435 3. 965 1 .00 0 .00 H ATOMO 104 1HE2 GLN A 8 -7 .573 1 .055 5. 508 1 .00 0 .00 H ATOMO 105 2HE2 GLN A 8 -8 .574 2 .415 5. 140 1 .00 0 .00 H ATOMO 106 N PRO A 9 -3 .003 2 .821 2. 813 1 .00 0 .00 N ATOMO 107 CA PRO A 9 -1 .569 3 .095 2. 702 1 .00 0 .00 c ATOMO 108 C PRO A 9 -0 .706 1 .852 2. 852 1 .00 0 .00 c ATOMO 109 0 PRO A 9 -0 .982 0 .975 3. 670 1 .00 0 .00 o ATOMO 110 CB PRO A 9 -1 .287 4 .073 3. 841 1 .00 0 .00 c ATOMO 111 CG PRO A 9 -2 .406 3 .885 4. 809 1 .00 0 .00 c ATOMO 112 CD PRO A 9 -3 .599 3 .460 4. 002 1 .00 0 .00 c ATOMO 113 HA PRO A 9 -1 .338 3 .571 1. 762 1 .00 0 .00 H ATOMO 114 1HB PRO A 9 -0 .333 3 .840 4. 292 1 .00 0 .00 H ATOMO 115 2HB PRO A 9 -1 .265 5 .075 3. 449 1 .00 0 .00 H ATOMO 116 1HG PRO A 9 -2 .147 3 .118 5. 523 1 .00 0 .00 H ATOMO 117 2HG PRO A 9 -2 .612 4 .813 5. 317 1 .00 0 .00 H ATOMO 118 1HD PRO A 9 -4 .197 2 .756 4. 559 1 .00 0 .00 H ATOMO 119 2HD PRO A 9 -4 .191 4 .319 3. 720 1 .00 0 .00 H ATOMO 120 N CYS A 10 0 .352 1 .803 2. 055 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .290 0 .690 2. 082 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .721 1 .202 2. 200 1 .00 0 .00 c ATOMO 123 O CYS A 10 2 .956 2 .406 2. 294 1 .00 0 .00 o ATOMO 124 CB CYS A 10 1 .147 -0 .165 0. 822 1 .00 0 .00 c ATOMO 125 SG CYS A 10 1 .008 0 .794 -0. 721 1 .00 0 .00 S ATOMO 126 H CYS A 10 0 .509 2 .544 1. 436 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1 .064 0 .084 2. 947 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 2 .008 -0 .808 0. 731 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .262 -0 .773 0. 912 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .671 0 .277 2. 192 1 .00 0 .00 N ATOMO 131 CA SER A 11 5 .081 0 .627 2. 297 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .928 -0 .249 1. 379 1 .00 0 .00 c ATOMO 133 O SER A 11 5 .720 -1 .459 1. 292 1 .00 0 .00 o ATOMO 134 CB SER A 11 5 .558 0 .481 3. 743 1 .00 0 .00 c ATOMO 135 OG SER A 11 4 .477 0 .601 4. 652 1 .00 0 .00 o ATOMO 136 H SER A 11 3 .417 -0 .662 2. 115 1 .00 0 .00 H ATOMO 137 HA SER A 11 5 .191 1 .657 1. 993 1 .00 0 .00 H ATOMO 138 1HB SER A 11 6 .016 -0 .488 3. 873 1 .00 0 .00 H ATOMO 139 2HB SER A 11 6 .281 1 .252 3. 959 1 .00 0 .00 H ATOMO 140 HG SER A 11 3 .849 -0 .109 4. 499 1 .00 0 .00 H ATOMO 141 N LEU A 12 6 .881 0 .374 0. 694 1 .00 0 .00 N ATOMO 142 CA LEO A 12 7 .763 -0 .344 -0. 222 1 .00 0 .00 c ATOMO 143 C LEU A 12 8 .507 -1, .480 0. 482 1 .00 0 .00 c ATOMO 144 0 LEU A 12 8 .973 -2 .417 -0. 167 1 .00 0 .00 o ATOMO 145 CB LEU A 12 8 .770 0 .621 -0. 854 1 .00 0, .00 c ATOMO 146 CG LEU A 12 9 .574 1. .467 0. 136 1 .00 0 .00 c ATOMO 147 CD1 LEU A 12 10.615 0.616 0.846 1.00 0.00 C ATOMO 148 CD2 LEU A 12 10. 234 2 .637 -0. 582 1 .00 0. 00 C ATOMO 149 H LEU A 12 6. 995 1 .340 0. 806 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7. 149 -0 .765 -1. 004 1 .00 0. 00 H ATOMO 151 1HB LEU A 12 9. 463 0 .045 -1. 449 1 .00 0. 00 H ATOMO 152 2HB LEU A 12 8. 231 1 .290 -1. 509 1 .00 0. 00 H ATOMO 153 HG LEU A 12 8. 906 1 .869 0. 884 1 .00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 518 1 .190 0. 986 1 .00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 832 -0.258 0. 251 1 .00 0. 00 H ATOMO 156 3HD1 LEU A 12 10. 232 0 .309 1. 809 1 .00 0. 00 H ATOMO 157 1HD2 LEU A 12 9. 608 2 .956 -1. 401 1 .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 196 2 .328 -0. 963 1 .00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 368 3 .455 0. 110 1 .00 0.00 H ATOMO 160 ASN A 13 8. 619 -1 .396 1. 806 1 .00 0. 00 N ATOMO 161 CA ASN A 13 9. 311 -2 .422 2. 577 1 .00 0. 00 c ATOMO 162 C ASN A 13 8. 334 -3 .330 3. 329 1 .00 0. 00 c ATOMO 163 0 ASN A 13 8. 758 -4 .224 4. 062 1 .00 0. 00 0 ATOMO 164 CB ASN A 13 10. 280 -1 .772 3. 566 1 .00 0. 00 c ATOMO 165 CG ASN A 13 9. 587 -0 .794 4. 495 1 .00 0. 00 c ATOMO 166 OD1 ASN A 13 8. 563 -0 .206 4. 145 1 .00 0. 00 o ATOMO 167 ND2 ASN A 13 10. 144 -0 .614 5. 687 1 .00 0. 00 N ATOMO 168 H ASN A 13 8. 233 -0 .630 2. 274 1 .00 0. 00 H ATOMO 169 HA ASN A 13 9. 878 -3 .024 1. 884 1 .00 0. 00 H ATOMO 170 1HB ASN A 13 10. 742 -2 .541 4. 166 1 .00 0. 00 H ATOMO 171 2HB ASN A 13 11. 043 -1 .240 3. 018 1 .00 0. 00 H ATOMO 172 1HD2 ASN A 13 10. 959 -1 .115 5. 897 1 .00 0. 00 H ATOMO 173 2HD2 ASN A 13 9. 717 0 .013 6. 307 1 .00 0. 00 H ATOMO 174 N THR A 14 7. 031 -3 .108 3. 153 1 .00 0. 00 N ATOMO 175 CA THR A 14 6. 029 -3 .918 3. 825 1 .00 0. 00 c ATOMO 176 C THR A 14 5. 426 -4 .940 2. 867 1 .00 0. 00 c ATOMO 177 O THR A 14 5. 824 -5 .030 1. 706 1 .00 0. 00 0 ATOMO 178 CB THR A 14 4. 929 -3 .027 4. 404 1 .00 0. 00 c ATOMO 179 OG1 THR A 14 4. 437 -2 .136 3. 420 1 .00 0. 00 0 ATOMO 180 CG2 THR A 14 5. 395 -2 .199 5. 582 1 .00 0. 00 c ATOMO 181 H THR A 14 6. 735 -2 .389 2. 563 1 .00 0. 00 H ATOMO 182 HA THR A 14 6. 517 -4 .442 4. 632 1 .00 0. 00 H ATOMO 183 HB THR A 14 4. 113 -3 .649 4. 739 1 .00 0. 00 H ATOMO 184 HG1 THR A 14 3. 603 -2 .467 3. 077 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 4. 686 -1 .405 5. 766 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 6. 363 -1 .773 5. 362 1 .00 0. 00 H ATOMO 1B7 3HG2 THR A 14 5. 468 -2 .828 6. 456 1 .00 0. 00 H ATOMO 188 N GLN A 15 4. 464 -5 .706 3. 365 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3. 800 -6 .724 2. 563 1 .00 0. 00 c ATOMO 190 C GLN A 15 3. 060 -6 .095 1. 380 1 .00 0. 00 c ATOMO 191 0 GLN A 15 2. 687 -4 .923 1. 429 1 .00 0. 00 0 ATOMO 192 CB GLN A 15 2. 820 -7 .514 3. 431 1 .00 0. 00 c ATOMO 193 CG GLN A 15 3. 446 -8 .080 4. 694 1 .00 0. 00 c ATOMO 194 CD GLN A 15 3. 940 -9 .503 4. 511 1 .00 0. 00 c ATOMO 195 OE1 GLN A 15 3. 343 -10 .289 3. 777 1 .00 0. 00 0 ATOMO 196 NE2 GLN A 15 5. 036 -9 .840 5. 182 1 .00 0. 00 N ATOMO 197 H GLN A 15 4. 193 -5 .585 4. 296 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4. 556 -7 .396 2. 186 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 2. 007 -6 .863 3. 718 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2. 425 -8 .333 2. 852 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 4. 284 -7 .460 4. 976 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 2. 709 -8 .069 5. 483 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 5. 458 -9 .161 5. 748 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 5.377 -10.752 5.082 1.00 0.00 H ATOMO 205 N PRO A 16 2 .833 -6. 864 0. 294 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2 .131 -6. 359 -0. 892 1 .00 0. 00 c ATOMO 207 C PRO A 16 0 .683 -5. 993 -0. 587 1 .00 0. 00 c ATOMO 208 0 PRO A 16 0 .242 -6. 075 0. 559 1 .00 0. 00 0 ATOMO 209 CB PRO A 16 2 .191 -7. 529 -1. 880 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2 .409 -8. 736 -1. 034 1 .00 0. 00 c ATOMO 211 CD PRO A 16 3 .235 -8. 277 0. 133 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2 .635 -5. 501 -1. 313 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1 .260 -7. 590 -2. 424 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 3 .008 -7. 379 -2. 569 1 .00 0. 00 H ATOMO 215 1HG PRO A 16 1 .460 -9. 123 -0. 695 1 .00 0. ,00 H ATOMO 216 2HG PRO A 16 2 .942 -9. 488 -1. 598 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 2 .992 -8. 850 1. 015 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4 .287 -8. 355 -0. 093 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0 .050 -5. 588 -1. 617 1 .00 0. ,00 N ATOMO 220 CA CYS A 17 -1 .448 -5. 209 -1. 452 1 .00 0. 00 c ATOMO 221 C CYS A 17 -2 .368 -6. 412 -1. 629 1 .00 0. .00 c ATOMO 222 0 CYS A 17 -1 .919 -7. 517 -1. 932 1 .00 0. ,00 o ATOMO 223 CB CYS A 17 -1 .828 -4. 112 -2. 447 1 .00 0. 00 c ATOMO 224 SG CYS A 17 -0 .768 -2. 632 -2. 368 1 .00 0. .00 S ATOMO 225 H CYS A 17 0 .356 -5. 542 -2. 507 1 .00 0. ,00 H ATOMO 226 HA CYS A 17 -1 .570 -4. 827 -0. ,451 1 .00 0. .00 H ATOMO 227 1HB CYS A 17 -1 .767 -4. 506 -3. 449 1 .00 0. .00 H ATOMO 228 2HB CYS A 17 -2 .842 -3. 798 -2. 249 1 .00 0. ,00 H ATOMO 229 N CYS A 18 -3 .658 -6. 179 -1. 427 1 .00 0. ,00 N ATOMO 230 CA CYS A 18 -4 .665 -7. 224 -1. 549 1 .00 0. .00 c ATOMO 231 C CYS A 18 -5 .434 -7. 076 -2. 857 1 .00 0. 00 c ATOMO 232 O CYS A 18 -5 .343 -6. 050 -3. 529 1 .00 0. .00 o ATOMO 233 CB CYS A 18 -5 .633 -7. 158 -0. 366 1 .00 0. .00 c ATOMO 234 SG CYS A 18 -4 .822 -7. 199 1. 267 1 .00 0. ,00 S ATOMO 235 H CYS A 18 -3 .940 -5. 275 -1. 182 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4 .161 -8. 179 -1. 543 1 .00 0. ,00 H ATOMO 237 1HB CYS A 18 -6 .198 -6. 239 -0. 425 1 .00 0. .00 H ATOMO 238 2HB CYS A 18 -6 .313 -7. 993 -0. 417 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .191 -8. 107 -3. 214 1 .00 0. ,00 N ATOMO 240 CA ASP A 19 -6 .979 -8. 092 -4. 447 1 .00 0. 00 c ATOMO 241 C ASP A 19 -6 .099 -7. 784 -5. 656 1 .00 0. 00 c ATOMO 242 O ASP A 19 -6 .547 -7. 167 -6. 623 1 .00 0. 00 o ATOMO 243 CB ASP A 19 -8 .104 -7. 061 -4. 344 1 .00 0. 00 c ATOMO 244 CG ASP A 19 -9 .030 -7. 330 -3. 173 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -9 .789 -8. 319 -3. 232 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -8 .995 -6. 550 -2. 197 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6 .222 -8. 897 -2. 637 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7 .412 -9. 073 -4. 57 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7 .673 -6. 079 -4. 219 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8 .687 -7. 082 -5. 253 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4 .844 -8. 215 -5. 588 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3 .892 -7. 989 -6. 667 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3 .639 -6. 499 -6. 871 1 .00 0. 00 c ATOMO 254 O ASP A 20 -3 .476 -6. 034 -7. 999 1 .00 0. 00 o ATOMO 255 CB ASP A 20 -4 .397 -8. 623 -7. 962 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -3 .929 -10. 055 -8. 127 1, .00 0. 00 c ATOMO 257 ODl ASP A 20 -2 .868 -10. 265 -8. 753 1 .00 0. 00 o ATOMO 258 OD2 ASP A 20 - .621 -10. 968 -7. 629 1, .00 0. 00 o ATOMO 259 H ASP A 20 -4 .550 -8. 698 -4. 792 1, .00 0. 00 H ATOMO 260 HA ASP A 20 -2 .962 -8. 460 -6. 386 1, .00 0. 00 H ATOMO 261 1HB ASP A 20 -5.477 -8.615 -7.964 1.00 0.00 H ATOMO 262 2HB ASP A 20 -4 .036 -8. 048 -8 .798 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3 .599 -5. 753 -5 .771 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3 .358 -4. 316 -5 .831 1 .00 0. 00 C ATOMO 265 C ALA A 21 -1 .870 -4. 020 -5 .964 1 .00 0. 00 C ATOMO 266 0 ALA A 21 -1 .039 -4. 928 -5 .937 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3 .922 -3. 626 -4 .597 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3 .732 -6. 182 -4 .898 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .871 -3. 927 -6 .698 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .961 -4. 329 -3 .779 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .916 -3. 263 -4 .808 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .286 -2. 794 -4 .324 1 .00 0. 00 H ATOMO 273 N THR A 22 -1 .539 -2. 742 -6 .103 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0 .154 -2. 320 -6 .236 1 .00 0. 00 c ATOMO 275 C THR A 22 0 .112 -1. 073 -5 .401 1 .00 0. 00 c ATOMO 276 O THR A 22 -0 .723 -0. 169 -5 .335 1 .00 0. 00 0 ATOMO 277 CB THR A 22 0 .174 -2. 048 -7 .704 1 .00 0. 00 c ATOMO 278 OGl THR A 22 -0 .070 -3. 198 -8 .495 1 .00 0. 00 o ATOMO 279 CG2 THR A 22 1 .610 -1. 633 -7 .929 1 .00 0. 00 c ATOMO 280 H THR A 22 -2 .245 -2. 064 -6 .116 1 .00 0. 00 H ATOMO 281 HA THR A 22 0 .473 -3. 122 -5 .878 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0 .461 -1. 250 -8 .062 1 .00 0. 00 H ATOMO 283 HGl THR A 22 0 .052 -2. 982 -9 .422 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .676 -0. 556 -7 .930 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 1 .950 -2. 016 -8 .880 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 2 .226 -2. 033 -7 .138 1 .00 0. 00 H ATOMO 287 N CYS A 23 1 .280 -1. 028 -4 .769 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1 .657 0. 112 -3 .943 1 .00 0. 00 c ATOMO 289 C CYS A 23 2 .143 1. 255 -4 .832 1 .00 0. 00 c ATOMO 290 o CYS A 23 3 .181 1. 146 -5 .485 1 .00 0. 00 0 ATOMO 291 CB CYS A 23 2 .749 -0. 300 -2 .952 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2 .887 0. 782 -1 .492 1 .00 0. 00 S ATOMO 293 H CYS A 23 1 .904 -1. 778 -4 .864 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0 .783 0. 436 -3 .398 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2 .544 -1. 299 -2 .599 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3 .703 -0. 293 -3 .458 1 .00 0. 00 H ATOMO 297 N THR A 24 1 .374 2. 341 -4 .874 1 .00 0. 00 N ATOMO 298 CA THR A 24 1 .710 3. 487 -5 .704 1 .00 0. 00 c ATOMO 299 C THR A 24 1 .841 4. 766 -4 .878 1 .00 0. 00 c ATOMO 300 o THR A 24 1 .265 4. 894 -3 .798 1 .00 0. 00 0 ATOMO 301 CB THR A 24 0 .642 3. 673 -6 .792 1 .00 0. 00 c ATOMO 302 OGl THR A 24 0 .689 2. 608 -7 .724 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .776 4. 968 -7 .571 1 .00 0. 00 c ATOMO 304 H THR A 24 0 .550 2. 363 -4 .349 1 .00 0. 00 H ATOMO 305 HA THR A 24 2 .658 3. 285 -6 .179 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0 .333 3. 669 -6 .325 1 .00 0. 00 H ATOMO 307 HGl THR A 24 -0 .181 2. 213 -7 .805 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .683 5. 805 -6 .892 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .003 5. 023 -8 .316 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .741 5. 001 -8 .052 1 .00 0. 00 H ATOMO 311 N GLN A 25 2 .592 5. 711 -5 .428 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2 .806 7. 001 -4 .798 1 .00 0. 00 c ATOMO 313 C GLN A 25 1 .545 7. 857 -4 .911 1 .00 0. 00 c ATOMO 314 0 GLN A 25 0 .897 7. 893 -5 .957 1 .00 0. 00 0 ATOMO 315 CB GLN A 25 3 .992 7. 709 -5 .462 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4 .207 9. 128 -4 .974 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5 .583 9. 665 -5 .319 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6.600 9.047 -5.003 1.00 0.00 0 ATOMO 319 NE2 GLN A 25 5 .620 10 .821 -5 .970 1. 00 0. 00 N ATOMO 320 H GLN A 25 3 .001 5 .540 -6.297 1. 00 0. 00 H ATOMO 321 HA GLN A 25 3 .029 6 .839 -3 .755 1. 00 0. 00 H ATOMO 322 1HB GLN A 25 4 .890 7 .143 -5 .261 1. 00 0. 00 H ATOMO 323 2HB GLN A 25 3 .826 7 .738 -6 .529 1. 00 0. 00 H ATOMO 324 1HG GLN A 25 3 .463 9 .763 -5 .430 1. 00 0. 00 H ATOMO 325 2HG GLN A 25 4 .085 9 .146 -3 .902 1. 00 0. 00 H ATOMO 326 1HE2 GLN A 25 4 .771 11 .256 -6 .190 1. 00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .497 11 .191 -6 .207 1. 00 0. 00 H ATOMO 328 N GLU A 26 1 .210 8 .539 -3 .827 1. 00 0. 00 N ATOMO 329 CA GLU A 26 0 .031 9 .397 -3 .793 1. 00 0. 00 c ATOMO 330 C GLU A 26 0 .202 10 .515 -2 .770 1. 00 0. 00 c ATOMO 331 0 GLU A 26 1 .249 10 .632 -2 .132 1. 00 0. 00 o ATOMO 332 CB GLU A 26 -1 .215 8 .572 -3 .465 1. 00 0. 00 c ATOMO 333 CG GLU A 26 -1 .430 7 .399 -4 .408 1. 00 0. 00 c ATOMO 334 CD GLU A 26 -2 .737 6 .675 -4 .147 1. 00 0. 00 c ATOMO 335 OE1 GLU A 26 -2 .827 5 .475 -4 .484 1. 00 0. 00 0 ATOMO 336 OE2 GLU A 26 -3 .669 7 .307 -3 .608 1. ,00 0. 00 o ATOMO 337 H GLU A 26 1 .770 8 .464 -3 .029 1. 00 0. 00 H ATOMO 338 HA GLU A 26 -0 .088 9 .837 -4 .772 1. 00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .124 8 .189 -2 .460 1. 00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .081 9 .213 -3 .519 1. 00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .436 7 .766 -5 .423 1. 00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .616 6 .701 -4 .283 1. 00 0. 00 H ATOMO 343 N ARG A 27 -0 .833 11 .334 -2 .621 1. 00 0. 00 N ATOMO 344 CA ARG A 27 -0 .798 12 .446 -1 .676 1. 00 0. 00 c ATOMO 345 C ARG A 27 -1 .756 12 .204 -0 .515 1. 00 0. 00 c ATOMO 346 0 ARG A 27 -2 .815 11 .601 -0 .686 1. 00 0. 00 0 ATOMO 347 CB ARG A 27 -1 .157 13 .754 -2 .385 1. 00 0. 00 c ATOMO 348 CG ARG A 27 -0 .020 14 .327 -3 .216 1. 00 0. 00 c ATOMO 349 CD ARG A 27 0 .706 15 .443 -2 .480 1. 00 0. 00 c ATOMO 350 NE ARG A 27 0 .316 16 .765 -2 .969 1. 00 0. 00 N ATOMO 351 CZ ARG A 27 0 .589 17 .222 -4 .192 1. 00 0. 00 c ATOMO 352 NH1 ARG A 27 1 .257 16 .470 -5 .061 1. 00 0. 00 N ATOMO 353 NH2 ARG A 27 0 .192 18 .435 -4 .547 1. 00 0. 00 N ATOMO 354 H ARG A 27 -1 .638 11 .188 -3 .160 1. 00 0. 00 H ATOMO 355 HA ARG A 27 0 .207 12 .522 -1 .288 1. 00 0. 00 H ATOMO 356 1HB ARG A 27 -1 .999 13 .577 -3 .038 1. 00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .437 14 .487 -1 .642 1. 00 0. 00 H ATOMO 358 1HG ARG A 27 0 .684 13 .539 -3 .436 1. 00 0. 00 H ATOMO 359 2HG ARG A 27 -0 .424 14 .719 -4 .138 1. 00 0. 00 H ATOMO 360 1HD ARG A 27 0 .475 15 .376 -1 .42B 1. 00 0. 00 H ATOMO 361 2HD ARG A 27 1 .769 15 .318 -2 .623 1. 00 0. 00 H ATOMO 362 HE ARG A 27 -0 .178 17 .345 -2 .353 1. 00 0. 00 H ATOMO 363 1HH1 ARG A 27 1 .561 15 .554 -4 .803 1. 00 0. 00 H ATOMO 364 2HH1 ARG A 27 1 .456 16 .823 -5 .976 1. 00 0. 00 H ATOMO 365 1HH2 ARG A 27 -0 .311 19 .007 -3 .898 1. 00 0. 00 H ATOMO 366 2HH2 ARG A 27 0 .395 18 .780 -5, .463 1. 00 0. 00 H ATOMO 367 N ASN A 28 -1, .377 12, .679 0, .668 1. 00 0. 00 N ATOMO 368 CA ASN A 28 -2 .204 12, .513 1, .858 1. 00 0. 00 c ATOMO 369 C ASN A 28 -2, .893 13, .822 2, .231 1. 00 0. 00 c ATOMO 370 O ASN A 28 -2 .781 14, .820 1, .518 1. 00 0. 00 0 ATOMO 371 CB ASN A 28 -1, .353 12. .018 3. .031 1. 00 0. 00 c ATOMO 372 CG ASN A 28 -0. .277 13. .009 3. ,430 1. 00 0. 00 c ATOMO 373 OD1 ASN A 28 -0. .048 14. .003 2, .742 1. 00 0. 00 0 ATOMO 374 ND2 ASN A 28 0, .389 12, .741 4. .548 1. 00 0. 00 N ATOMO 377 1HB ASN A 28 -1.993 11.846 3.884 1.00 0.00 H ATOMO 378 2HB ASN A 28 -0 .876 11 .090 2 .753 1.00 0. 00 H ATOMO 379 1HD2 ASN A 28 0 .152 11 .931 5 .044 1.00 0. 00 H ATOMO 380 2HD2 ASN A 28 1 .090 13 .366 4 .829 1.00 0. 00 H ATOMO 381 N GLÜ A 29 -3 .603 13 .811 3 .354 1.00 0. 00 N ATOMO 382 CA GLU A 29 -4 .307 14 .994 3 .826 1.00 0. 00 C ATOMO 383 C GLÜ A 29 -3 .326 16 .122 4 .132 1.00 0. 00 C ATOMO 384 0 GLU A 29 -3 .654 17 .300 3 .984 1.00 0. 00 0 ATOMO 385 CB GLU A 29 -5 .123 14 .659 5 .074 1.00 0. 00 C ATOMO 386 CG GLU A 29 -4 .350 13 .861 6 .111 1.00 0. 00 C ATOMO 387 CD GLU A 29 -5 .004 13 .893 7 .479 1.00 0. 00 C ATOMO 388 OE1 GLU A 29 -4 .761 12 .963 8 .277 1.00 0. 00 0 ATOMO 389 OE2 GLU A 29 -5 .759 14 .850 7 .753 1.00 0. 00 0 ATOMO 390 H GLU A 29 -3 .652 12 .987 3 .880 1.00 0. 00 H ATOMO 391 HA GLU A 29 -4 .976 15 .317 3 .043 1.00 0. 00 H ATOMO 392 1HB GLU A 29 -5 .451 15 .578 5 .532 1.00 0. 00 H ATOMO 393 2HB GLU A 29 -5 .989 14 .085 4 .781 1.00 0. 00 H ATOMO 394 1HG GLU A 29 -4 .289 12 .833 5 .784 1.00 0. 00 H ATOMO 395 2HG GLU A 29 -3 .354 14 .271 6 .194 1.00 0. 00 H ATOMO 396 N ASN A 30 -2 .121 15 .754 4 .557 1.00 0. 00 N ATOMO 397 CA ASN A 30 -1 .094 16 .735 4 .882 1.00 0. 00 C ATOMO 398 C ASN A 30 -0 .491 17 .336 3 .615 1.00 0. 00 C ATOMO 399 O ASN A 30 -0 .045 18 .483 3 .614 1.00 0. 00 o ATOMO 400 CB ASN A 30 0 .007 16 .089 5 .727 1.00 0. 00 C ATOMO 401 CG ASN A 30 -0 .523 15 .522 7 .029 1.00 0. 00 c ATOMO 402 OD1 ASN A 30 -1 .258 14 .535 7 .036 1.00 0. 00 0 ATOMO 403 ND2 ASN A 30 -0 .151 16 .145 8 .142 1.00 0. 00 N ATOMO 404 H ASN A 30 -1 .920 14 .800 4 .654 1.00 0. 00 H ATOMO 405 HA ASN A 30 -1 .558 17 .524 5 .454 1.00 0. 00 H ATOMO 406 1HB ASN A 30 0 .461 15 .288 5 .165 1.00 0. 00 H ATOMO 407 2HB ASN A 30 0 .757 16 .832 5 .958 1.00 0. 00 H ATOMO 408 1HD2 ASN A 30 0 .436 16 .925 8 .061 1.00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0 .479 15 .799 8 .997 1.00 0. 00 H ATOMO 410 N GLY A 31 -0 .482 16 .556 2 .538 1.00 0. 00 N ATOMO 411 CA GLY A 31 0 .068 17 .034 1 .281 1.00 0. 00 c ATOMO 412 C GLY A 31 1 .427 16 .434 0 .950 1.00 0. 00 c ATOMO 413 O GLY A 31 2 .006 16 .749 -0 .089 1.00 0. 00 0 ATOMO 414 H GLY A 31 -0 .850 15 .649 2 .595 1.00 0. 00 H ATOMO 415 IRA GLY A 31 -0 .620 16 .789 0 .487 1.00 0. 00 H ATOMO 416 2HA GLY A 31 0 .167 18 .109 1 .335 1.00 0. 00 H ATOMO 417 N HIS A 32 1 .941 15 .568 1 .823 1.00 0. 00 N ATOMO 418 CA HIS A 32 3 .235 14 .937 1 .595 1.00 0. 00 c ATOMO 419 C HIS A 32 3 .075 13 .659 0 .779 1.00 0. 00 c ATOMO 420 O HIS A 32 2 .000 13 .059 0 .754 1.00 0. 00 o ATOMO 421 CB HIS A 32 3 .918 14 .625 2 .927 1.00 0. 00 c ATOMO 422 CG HIS A 32 5 .398 14 .434 2 .810 1.00 0. 00 c ATOMO 423 ND1 HIS A 32 6 .115 13 .587 3 .629 1.00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .299 14 .986 1 .963 1.00 0. 00 c ATOMO 425 CE1 HIS A 32 .7 .392 13 .627 3 .291 1.00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .529 14 .468 2 .283 1.00 0. 00 N ATOMO 427 H HIS A 32 1 .442 15 .346 2 .635 1.00 0. 00 H ATOMO 428 HA HIS A 32 3 .849 15 .630 1 .039 1.00 0. 00 H ATOMO 429 1HB HIS A 32 3 .741 15 .439 3 .614 1.00 0. 00 H ATOMO 430 2HB HIS A 32 3 .496 13 .717 3 .336 1.00 0. 00 H ATOMO 431 HD1 HIS A 32 5 .744 13 .039 4 .352 1.00 0. 00 H ATOMO 432 HD2 HIS A 32 6..088 15.702 1.181 1..00 0.00 H ATOMO 433 HE1 HIS A 32 8. ,187 13 .066 3 .759 1. ,00 0 .00 H ATOMO 434 HE2 HIS A 32 8. .384 14 .754 1 .899 1. .00 0 .00 H ATOMO 435 N THR A 33 4. ,147 13 .246 0 .112 1. ,00 0 .00 N ATOMO 436 CA THR A 33 4. ,115 12 .039 -0 .704 1. ,00 0 .00 C ATOMO 437 C THR A 33 3. ,963 10 .797 0 .167 1. .00 0 .00 c ATOMO 438 0 THR A 33 4, ,595 10 .678 1 .216 1. .00 0 .00 0 ATOMO 439 CB THR A 33 5. ,384 11 .926 -1 .550 1. .00 0 .00 C ATOMO 440 0G1 THR A 33 5. ,559 13 .084 -2 .347 1. .00 0 .00 0 ATOMO 441 CG2 THR A 33 5. ,378 10 .728 -2 .475 1. .00 0 .00 C ATOMO 442 H THR A 33 4. ,977 13 .765 0 .168 1. .00 0 .00 H ATOMO 443 HA THR A 33 3. .262 12 .108 -1 .361 1. ,00 0 .00 H ATOMO 444 HB THR A 33 6. ,236 11 .833 -0 .892 1. .00 0 .00 H ATOMO 445 HG1 THR A 33 4. ,746 13 .275 -2 .820 1. .00 0 .00 H ATOMO 446 1HG2 THR A 33 6. .387 10 .519 -2 .801 1. .00 0 .00 H ATOMO 447 2HG2 THR A 33 4. .758 10 .939 -3 .334 1. ,00 0 .00 H ATOMO 448 3HG2 THR A 33 4. .984 9 .869 -1 .951 1. .00 0 .00 H ATOMO 449 N VAL A 34 3. ,118 9 .876 -0 .280 1. .00 0 .00 N ATOMO 450 CA VAL A 34 2. ,875 8 .639 0 .450 1. .00 0 .00 C ATOMO 451 C VAL A 34 2. .657 7 .479 -0 .511 1. .00 0 .00 c ATOMO 452 0 VAL A 34 2. ,575 7 .671 -1 .722 1. ,00 0 .00 0 ATOMO 453 CB VAL A 34 1. ,649 8 .765 1 .376 1. ,00 0 .00 c ATOMO 454 CG1 VAL A 34 1. 907 9 .792 2 .467 1. ,00 0 .00 c ATOMO 455 CG2 VAL A 34 0. ,409 9 .129 0 .575 1. ,00 0 .00 c ATOMO 456 H VAL A 34 2. 645 10 .032 -1 .123 1. ,00 0 .00 H ATOMO 457 HA VAL A 34 3. ,742 8 .430 1 .059 1. ,00 0 .00 H ATOMO 458 HB VAL A 34 1. 480 7 .808 1 .848 1. ,00 0 .00 H ATOMO 459 1HG1 VAL A 34 1. 757 10 .786 2 .069 1. ,00 0 .00 H ATOMO 460 2HG1 VAL A 34 2. 924 9 .696 2 .821 1. ,00 0 .00 H ATOMO 461 3HG1 VAL A 34 1. 224 9 .627 3 .287 1. 00 0 .00 H ATOMO 462 1HG2 VAL A 34 0. 615 9 .993 -0 .037 1. 00 0 .00 H ATOMO 463 2HG2 VAL A 34 -0. 403 9 .353 1 .251 1. 00 0 .00 H ATOMO 464 3HG2 VAL A 34 0. 131 8 .298 -0 .057 1. 00 0 .00 H ATOMO 465 N TYR A 35 2. 565 6 .275 0 .034 1. 00 0 .00 N ATOMO 466 CA TYR A 35 2. 354 5 .081 -0 .780 1. 00 0 .00 c ATOMO 467 C TYR A 35 1. 026 4 .423 -0 .426 1. 00 0 .00 c ATOMO 468 O TYR A 35 0. 773 4 .103 0 .735 1. 00 0 .00 0 ATOMO 469 CB TYR A 35 3. 503 4 .088 -0 .584 1. 00 0 .00 c ATOMO 470 CG TYR A 35 4. 871 4 .734 -0 .548 1. 00 0 .00 c ATOMO 471 CD1 TYR A 35 5. 206 5 .745 -1 .439 1. 00 0 .00 c ATOMO 472 CD2 TYR A 35 5. 826 .330 0 .376 1. 00 0 .00 c ATOMO 473 CE1 TYR A 35 6. 454 6 .338 -1 .409 1. 00 0 .00 c ATOMO 474 CE2 TYR A 35 7. 076 4 .918 0, .412 1. 00 0 .00 c ATOMO 475 CZ TYR A 35 7. 386 5, .920 -0. .483 1. 00 0, .00 c ATOMO 476 OH TYR A 35 8. 630 6, .508 -0, .450 1. 00 0, .00 o ATOMO 477 H TYR A 35 2. 640 6, .184 1. .007 1. 00 0, .00 H ATOMO 478 HA TYR A 35 2. 326 5, .386 -1, .815 1. 00 0. .00 H ATOMO 479 1HB TYR A 35 3. 360 3, .563 0. .348 1. 00 0. .00 H ATOMO 480 2HB TYR A 35 3. 494 3, .377 -1, .396 1. 00 0. .00 H ATOMO 481 HD1 TYR A 35 4. 474 6, .071 -2, .163 1. 00 0. .00 H ATOMO 482 HD2 TYR A 35 5. 581 3, .545 1, .076 1. 00 0. .00 H ATOMO 483 HE1 TYR A 35 6. 696 7, .123 -2. .111 1. 00 0. .00 H ATOMO 484 HE2 TYR A 35 7. 806 4. .591 1. .138 1. 00 0. .00 H ATOMO 485 HH TYR A 35 9. 095 6, .319 -1. .268 1. 00 0. ,00 H ATOMO 486 N TYR A 36 0. 172 4. .232 -1. ,430 1. 00 0. .00 N ATOMO 487 CA TYR A 36 -1. 135 3. ,620 -1. ,211 1. 00 0. ,00 c ATOMO 488 C TYR A 36 -1. 338 2. .402 -2. .105 1. 00 0. ,00 c ATOMO 489 0 TYR A 36 -0.588 2.,180 -3.,054 1.,00 0.,00 0 ATOMO 490 CB TYR A 36 -2 .245 4. .643 -1. .462 1. .00 0. ,00 c ATOMO 491 CG TYR A 36 -2 .659 5. .403 -0, .222 1. ,00 0. ,00 c ATOMO 492 CDl TYR A 36 -1 .823 6. ,359 0. .340 1. ,00 0. ,00 c ATOMO 493 CD2 TYR A 36 -3 .886 5. ,165 0. .385 1. ,00 0. ,00 c ATOMO 494 CEl TYR A 36 -2 .198 7. ,056 1. ,474 1. ,00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .268 5. .858 1. .518 1. ,00 0. ,00 c ATOMO 496 CZ TYR A 36 -3 .420 6. .802 2, .058 1. ,00 0. ,00 c ATOMO 497 OH TYR A 36 -3 .797 7. .494 3. .186 1. ,00 0. 00 0 ATOMO 498 H TYR A 36 0 .424 4. ,515 -2. ,335 1. ,00 0. ,00 H ATOMO 499 HA TYR A 36 -1 .182 3. .302 -0. ,182 1. ,00 0. ,00 H ATOMO 500 1HB TYR A 36 -1 .904 5. ,360 -2. ,192 1. ,00 0. ,00 H ATOMO 501 2HB TYR A 36 -3 .117 4. .131 -1. .846 1. ,00 0. ,00 H ATOMO 502 HDl TYR A 36 -0 .866 6. .556 -0. .119 1. ,00 0. ,00 H ATOMO 503 HD2 TYR A 36 -4 .547 4. .424 -0. .040 1. .00 0. ,00 H ATOMO 504 HEl TYR A 36 -1 .534 7. .796 1. .897 1. .00 0. ,00 H ATOMO 505 HE2 TYR A 36 -5 .226 5. .658 1. .976 1. ,00 0. 00 H ATOMO 506 HH TYR A 36 -3 .705 6. ,927 3. .956 1. ,00 0. ,00 H ATOMO 507 N CYS A 37 -2 .359 1. ,614 -1. ,785 1. ,00 0. 00 N ATOMO 508 CA CYS A 37 -2 .671 0. .407 -2. .549 1. ,00 0. ,00 c ATOMO 509 C CYS A 37 -3 .829 0. .655 -3. .509 1. ,00 0. 00 c ATOMO 510 0 CYS A 37 -4 .849 1. ,233 -3. .135 1. ,00 0. 00 0 ATOMO 511 CB CYS A 37 -3 .021 -0. ,743 -1. .602 1. 00 0. 00 c ATOMO 512 SG CYS A 37 -1 .570 -1. ,544 -0. .852 1. 00 0. 00 S ATOMO 513 H CYS A 37 -2 .909 1. ,847 -1. .008 1. ,00 0. ,00 H ATOMO 514 HA CYS A 37 -1 .798 0. ,136 -3. .122 1. 00 0. 00 H ATOMO 515 1HB CYS A 37 -3 .645 -0. 369 -0. .802 1. 00 0. 00 H ATOMO 516 2HB CYS A 37 -3 .566 -1. ,498 -2. .145 1. 00 0. ,00 H ATOMO 517 N ARG A 38 -3 .659 0. ,213 -4. .752 1. ,00 0. ,00 N ATOMO 518 CA ARG A 38 -4 .683 0. ,387 -5. ,773 1. 00 0. 00 c ATOMO 519 C ARG A 38 -4 .964 -0. 927 -6. ,489 1. 00 0. 00 c ATOMO 520 O ARG A 38 -4 .050 -1. 582 -6. 992 1. 00 0. 00 0 ATOMO 521 CB ARG A 38 -4 .249 1. 448 -6. ,785 1. 00 0. 00 c ATOMO 522 CG ARG A 38 -3 .946 2. 797 -6. ,157 1. 00 0. 00 c ATOMO 523 CD ARG A 38 -5 .205 3. 459 -5. 625 1. 00 0. 00 c ATOMO 524 NE ARG A 38 -5 .123 4. 917 -5. 680 1. 00 0. 00 N ATOMO 525 CZ ARG A 38 -6 .058 5. 738 -5. 199 1. 00 0. 00 c ATOMO 526 NHl ARG A 38 -7 .155 5. 253 -4. 627 1. 00 0. 00 N ATOMO 527 NH2 ARG A 38 -5 .896 7. 050 -5. 294 1. 00 0. 00 N ATOMO 528 H ARG A 38 -2 .823 -0. 238 -4. 989 1. 00 0. 00 H ATOMO 529 HA ARG A 38 -5, .587 0. 717 -5. 284 1. 00 0. 00 H ATOMO 530 1HB ARG A 38 -3 .360 1. 103 -7. 292 1. oo 0. 00 H ATOMO 531 2HB ARG A 38 -5, .038 1. 583 -7. 510 1. 00 0. 00 H ATOMO 532 1HG ARG A 38 -3 .253 2. 657 -5. 341 1. 00 0. 00 H ATOMO 533 2HG ARG A 38 -3, .499 3. 440 -6. 904 1. 00 0. 00 H ATOMO 534 1HD ARG A 38 -6, .046 3. 132 -6. 221 1. 00 0. 00 H ATOMO 535 2HD ARG A 38 -5, .352 3. 153 -4. 600 1. 00 0. 00 H ATOMO 536 HE ARG A 38 -4, .327 5. 308 -6. 097 1. 00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7. .287 4. 266 -4. 551 1. 00 0. 00 H ATOMO 538 2HH1 ARG A 38 -7, .849 5. 878 -4. 270 1. 00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5. ,073 7. 423 -5. 724 1. 00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6. .596 7. 668 -4. 935 1. 00 0. 00 H ATOMO 541 N ALA A 39 -6. .233 -1. 307 -6. 530 1. 00 0. 00 N ATOMO 542 CA ALA A 39 -6. .640 -2. 545 -7. 183 1. 00 0. 00 c ATOMO 543 C ALA A 39 -6. .499 -2. 437 -8. 698 1. 00 0. 00 c ATOMO 544 O ALA A 39 -7. .109 -3. 263 -9. 408 1. 00 0. 00 0 ATOMO 545 CB ALA A 39 -8. ,072 -2. 894 -6. 807 1. 00 0. 00 c ATOMO 546 OXT ALA A 39 -5.781 -1.526 -9.161 1.00 0.00 0 ATOMO 547 H ALA A 39 -6 .913 -0. 740 -6. 109 1 .00 0. 00 H ATOMO 548 HA ALA A 39 -5 .996 -3. 335 -6. 827 1 .00 0. 00 H ATOMO 549 1HB ALA A 39 -8 .069 -3. 553 -5. 952 1 .00 0. 00 H ATOMO 550 2H6 ALA A 39 -8 .554 -3. 386 -7. 639 1 .00 0. 00 H ATOMO 551 3HB ALA A 39 -8 .611 -1. 990 -6. 562 1 .00 0. 00 H TER 552 ALA A 39 E DMDL MODELO 2 ATOMO 1 N GLY A 1 0 .097 -14. 673 2. 151 1 .00 0. 00 N ATOMO 2 CA GLY A 1 -0 .996 -14. 681 3. 162 1 .00 0. 00 C ATOMO 3 C GLY A 1 -1 .419 -13. 284 3. 570 1 .00 0. 00 C ATOMO 4 0 GLY A 1 -2 .544 -12. 864 3. 298 1 .00 0. 00 0 ATOMO 5 1H GLY A 1 -0 .245 -14. 265 1. 257 1 .00 0. 00 H ATOMO 6 2H GLY A 1 0 .427 -15. 642 1. 973 1 .00 0. 00 H ATOMO 7 3H GLY A 1 0 .897 -14. 104 2. 495 1 .00 0. 00 H ATOMO 8 IRA GLY A 1 -1 .850 -15. 197 2. 748 1 .00 0. 00 H ATOMO 9 2HA GLY A 1 -0 .657 -15. 213 4. 039 1 .00 0. 00 H ATOMO 10 N SER A 2 -0 .516 -12. 561 4. 226 1 .00 0. 00 N ATOMO 11 CA SER A 2 -0 .803 -11. 203 4. 674 1 .00 0. 00 C ATOMO 12 C SER A 2 -0 .571 -10. 200 3. 549 1 .00 0. 00 C ATOMO 13 O SER A 2 0 .403 -10. 302 2. 803 1 .00 0. 00 0 ATOMO 14 CB SER A 2 0 .071 -10. 847 5. 878 1 .00 0. 00 C ATOMO 15 OG SER A 2 0 .178 -11. 940 6. 773 1 .00 0. 00 0 ATOMO 16 H SER A 2 0 .362 -12. 952 4. 414 1 .00 0. 00 H ATOMO 17 HA SER A 2 -1 .840 -11. 163 4. 969 1 .00 0. 00 H ATOMO 18 1HB SER A 2 1 .060 -10. 580 5. 536 1 .00 0. 00 H ATOMO 19 2HB SER A 2 -0 .367 -10. 010 6. 401 1 .00 0. 00 H ATOMO 20 HG SER A 2 1 .037 -11. 922 7. 201 1 .00 0. 00 H ATOMO 21 N CYS A 3 -1 .472 -9. 231 3. 432 1 .00 0. 00 N ATOMO 22 CA CYS A 3 -1 .365 -8. 207 2. 400 1 .00 0. 00 C ATOMO 23 C CYS A 3 -2 .033 -6. 913 2. 850 1 .00 0. 00 C ATOMO 24 0 CYS A 3 -2 .753 -6. 886 3. 848 1 .00 0. 00 o ATOMO 25 CB CYS A 3 -1 .998 -8. 696 1. 094 1 .00 0. 00 C ATOMO 26 SG CYS A 3 -3 .763 -9. 131 1. 231 1 .00 0. 00 s ATOMO 27 H CYS A 3 -2 .226 -9. 200 4. 057 1 .00 0. 00 H ATOMO 28 HA CYS A 3 -0 .316 -8. 017 2. 232 1 .00 0. 00 H ATOMO 29 1HB CYS A 3 -1 .910 -7. 919 0. 349 1 .00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .467 -9. 573 0. 754 1 .00 0. 00 H ATOMO 31 N VAL A 4 -1 .790 -5. 842 2. 105 1 .00 0. 00 N ATOMO 32 CA VAL A 4 -2 .362 -4. 544 2. 415 1 .00 0. 00 C ATOMO 33 C VAL A 4 -3 .708 -4. 364 1. 706 1 .00 0. 00 c ATOMO 34 O VAL A 4 -3 .812 -4. 612 0. 510 1 .00 0. 00 0 ATOMO 35 CB VAL A 4 -1 .400 -3. 421 1. 985 1 .00 0. 00 c ATOMO 36 CG1 VAL A 4 -1 .998 -2. 049 2. 253 1 .00 0. 00 c ATOMO 37 CG2 VAL A 4 -0 .065 -3. 578 2. 693 1 .00 0. 00 c ATOMO 38 H VAL A 4 -1 .209 -5. 927 1. 322 1 .00 0. 00 H ATOMO 39 HA VAL A 4 -2 .500 -4. 485 3. 481 1 .00 0. 00 H ATOMO 40 HB VAL A 4 -1 .229 -3. 513 0. 924 1 .00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1 .229 -1. 298 2. 168 1 .00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2 .417 -2. 029 3. 247 1 .00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2 .776 -1. 852 1. 530 1 .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0 .273 -4. 600 2. 597 1 .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0 .182 -3. 336 3. 739 1 .00 0. 00 H ATOMO 46 3HG2 VAL A 4 0 .660 -2. 915 2. 247 1 .00 0. 00 H ATOMO 47 N PRO A 5 -4 .763 -3. 922 2. 419 1 .00 0. 00 N ATOMO 48 CA PRO A 5 -6 .076 -3. 723 1. 804 1 .00 0. 00 c ATOMO 49 C PRO A 5 -6.058 -2.593 0.778 1.00 0.00 c ATOMO 50 0 PRO A 5 -5.483 -1 .524 1. 016 1. ,00 0. 00 0 ATOMO 51 CB PRO A 5 -6.994 -3 .364 2. 983 1. ,00 0. 00 c ATOMO 52 CG PRO A 5 -6.221 -3 .704 4. 214 1. ,00 0. 00 c ATOMO 53 CD PRO A 5 -4.771 -3 .576 3. ,848 1. ,00 0. ,00 c ATOMO 54 HA PRO A 5 -6.429 -4 .629 1. ,330 1. ,00 0. 00 H ATOMO 55 1HB PRO A 5 -7.234 -2 .312 2. 947 1. ,00 0. 00 H ATOMO 56 2HB PRO A 5 -7.903 -3 .944 2. .919 1. ,00 0. ,00 H ATOMO 57 1HG PRO A 5 -6.469 -3 .012 5. .006 1. .00 0. ,00 H ATOMO 58 2HG PRO A 5 -6.442 -4.716 4. ,518 1. .00 0. ,00 H ATOMO 59 1HD PRO A 5 -4.428 -2 .562 4. .003 1. .00 0. ,00 H ATOMO 60 2HD PRO A 5 -4.175 -4 .269 4. .419 1, .00 0. ,00 H ATOMO 61 N VAL A 6 -6.700 -2 .823 -0. ,362 1. .00 0. 00 N ATOMO 62 CA VAL A 6 -6.761 -1 .824 -1. .410 1, .00 0. ,00 c ATOMO 63 C VAL A 6 -7.394 -0 .552 -0. .878 1. .00 0. ,00 c ATOMO 64 O VAL A 6 -8.207 -0 .592 0. .043 1. ,00 0. 00 o ATOMO 65 CB VAL A 6 -7.537 -2 .344' -2. .635 1. .00 0. ,00 c ATOMO 66 CG1 VAL A 6 -7.648 -1 .278 -3. .714 1. .00 0. 00 c ATOMO 67 CG2 VAL A 6 -6.858 -3 .586 -3. .182 1. .00 0. ,00 c ATOMO 68 H VAL A 6 -7.151 -3 .678 -0. .496 1. .00 0. ,00 H ATOMO 69 HA VAL A 6 -5.748 -1 .606 -1. .719 1. .00 0. .00 H ATOMO 70 HB VAL A 6 -8.533 -2 .613 -2. ,320 1. .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8.314 -0 .497 -3. ,380 1. ,00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8.037 -1 .722 -4. .618 1, .00 0. ,00 H ATOMO 73 3HG1 VAL A 6 -6.671 -0 .861 -3. .908 1. .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5.804 -3 .550 -2. .944 1. ,00 0. 00 H ATOMO 75 2HG2 VAL A 6 -6.982 -3 .621 -4. .253 1, ,00 0. ,00 H ATOMO 76 3HG2 VAL A 6 -7.298 -4 .463 -2. ,736 1. .00 0. ,00 H ATOMO 77 N ASP A 7 -6.979 0 .576 -1. ,437 1. .00 0. 00 N ATOMO 78 CA ASP A 7 -7.456 1 .876 -1. .010 1, ,00 0. ,00 c ATOMO 79 C ASP A 7 -6.853 2 .258 0. .344 1. .00 0. 00 c ATOMO 80 0 ASP A 7 -7.215 3 .286 0. ,916 1. ,00 0. 00 o ATOMO 81 CB ASP A 7 -8.984 1 .907 -0. ,943 1. .00 0. 00 c ATOMO 82 CG ASP A 7 -9.630 1 .388 -2. ,212 1. .00 0. 00 c ATOMO 83 0D1 ASP A 7 -9.124 1 .709 -3. ,309 1. ,00 0. 00 o ATOMO 84 OD2 ASP A 7 -10.639 0 .660 -2. ,111 1, ,00 0. 00 o ATOMO 85 H ASP A 7 -6.310 0 .534 -2.137 1. ,00 0. 00 H ATOMO 86 HA ASP A 7 -7.128 2 .598 -1. 743 1. ,00 0. 00 H ATOMO 87 1HB ASP A 7 -9.315 1 .296 -0. ,118 1. ,00 0. 00 H ATOMO 88 2HB ASP A 7 -9.303 2 .921 -0. 787 1. ,00 0. 00 H ATOMO 89 N GLN A 8 -5.916 1 .440 0. 856 1. 00 0. 00 N ATOMO 90 CA GLN A 8 -5.276 1 .736 2. 127 1. ,00 0. 00 c ATOMO 91 C GLN A 8 -3.783 1 .986 1. 925 1. 00 0. 00 c ATOMO 92 O GLN A 8 -3.198 1 .515 0. 950 1. 00 0. 00 o ATOMO 93 CB GLN A 8 -5.488 0 .594 3. 121 1. 00 0. 00 c ATOMO 94 CG GLN A 8 -6.935 0 .149 3. 237 1. 00 0. 00 c ATOMO 95 CD GLN A 8 -7.870 1 .290 3. 584 1. 00 0. 00 c ATOMO 96 OE1 GLN A 8 -7.505 2 .202 4. 328 1. 00 0. 00 o ATOMO 97 NE2 GLN A 8 -9.084 1 .246 3. 048 1. 00 0. 00 N ATOMO 98 H GLN A 8 -5.641 0 .632 0. 367 1. 00 0. 00 H ATOMO 99 HA GLN A 8 -5.727 2 .632 2. 518 1. 00 0. 00 H ATOMO 100 1HB GLN A 8 -4.895 -0 .252 2. 811 1. 00 0. 00 H ATOMO 101 2HB GLN A 8 -5.155 0 .916 4. 097 1. 00 0. 00 H ATOMO 102 1HG GLN A 8 -7.245 -0 .273 2. 292 1. 00 0. 00 H ATOMO 103 2HG GLN A 8 -7.007 -0 .604 4. 007 1. 00 0. 00 H ATOMO 104 1HE2 GLN A 8 -9.305 0 .490 2. 466 1. 00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9.709 1 .971 3. 256 1. 00 0. 00 H ATOMO 106 N PRO A 9 -3.144 2.745 2.833 1.00 0.00 N ATOMO 107 CA PRO A 9 -1. 719 3 .057 2. 721 1 .00 0. ,00 c ATOMO 108 C PRO A 9 -0. 822 1 .837 2. 864 1 .00 0. ,00 c ATOMO 109 0 PRO A 9 -1. 069 0 .954 3. 684 1 .00 0. ,00 0 ATOMO 110 CB PRO A 9 -1. 460 4 .038 3. 864 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2. 575 3 .822 4. 830 1 .00 0. ,00 c ATOMO 112 CD PRO A 9 -3. 757 3 .370 4. 021 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1. 502 3 .543 1. 782 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 501 3 .825 4. 315 1 .00 0. ,00 H ATOMO 115 2HB PRO A 9 -1. 460 5 .042 3. ,474 1 .00 0. .00 H ATOMO 116 1HG PRO A 9 -2. 298 3 .061 5. 543 1 .00 0. ,00 H ATOMO 117 2HG PRO A 9 -2. 804 4 .744 5. 338 1 .00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 339 2 .650 4. 578 1 .00 0. ,00 H ATOMO 119 2HD PRO A 9 -4. 369 4 .213 3. 740 1 .00 0. 00 H ATOMO 120 N CYS A 10 0. 231 1 .815 2. ,060 1 .00 0. ,00 N ATOMO 121 CA CYS A 10 1. 199 0 .728 2. 080 1 .00 0. 00 c ATOMO 122 C CYS A 10 2. 614 1 .278 2. 198 1 .00 0. 00 c ATOMO 123 0 CYS A 10 2. 817 2 .488 2. 295 1 .00 0. 00 o ATOMO 124 CB CYS A 10 1. 076 -0 .127 0. 816 1 .00 0. 00 c ATOMO 125 SG CYS A 10 0. 912 0 .835 -0. 723 1 .00 0. 00 S ATOMO 126 H CYS A 10 0. 364 2 .561 1. 440 1 .00 0. ,00 H ATOMO 127 HA CYS A 10 0. 990 0 .113 2. 943 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 1. 953 -0 .748 0. 723 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 207 -0 .758 0. 905 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 590 0 .380 2. 186 1 .00 0. 00 N ATOMO 131 CA SER A 11 4. 990 0 .770 2. 288 1 .00 0. ,00 c ATOMO 132 C SER A 11 5. 850 -0 .039 1. 322 1 .00 0. 00 c ATOMO 133 0 SER A 11 5. .454 -1 .114 0. ,874 1 .00 0. ,00 o ATOMO 134 CB SER A 11 5. 492 0 .578 3. 721 1 .00 0. ,00 c ATOMO 135 OG SER A 11 5. 358 1 .770 4. 474 1 .00 0. 00 o ATOMO 136 H SER A 11 3. 361 -0 .566 2. 105 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 063 1 .816 2. 029 1 .00 0. 00 H ATOMO 138 1HB SER A 11 4. 919 -0 .202 4. 199 1 .00 0. 00 H ATOMO 139 2HB SER A 11 6. 535 0 .296 3. 700 1 .00 0. 00 H ATOMO 140 HG SER A 11 6. 225 2 .083 4. 738 1 .00 0. 00 H ATOMO 141 N LEO A 12 7. 030 0 .485 1. 008 1 .00 0. 00 N ATOMO 142 CA LEU A 12 7. 947 -0 .190 0. 094 1 .00 0. 00 c ATOMO 143 C LEU A 12 8. 691 -1 .336 0. 786 1 .00 0. 00 c ATOMO 144 O LEU A 12 9. 282 -2 .186 0. 119 1 .00 0. 00 o ATOMO 145 CB LEU A 12 8. 951 0 .803 -0. 503 1 .00 0. 00 c ATOMO 146 CG LEU A 12 9. 538 1 .828 0. 473 1 .00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 114 1 .138 1. 699 1 .00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 603 2 .662 -0. 218 1 .00 0. 00 c ATOMO 149 H LEU A 12 7. 289 1 .345 1. 398 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7. 355 -0 .605 -0. 708 1 .00 0. 00 H ATOMO 151 1HB LEU A 12 9. 767 0 .239 -0. 930 1 .00 0. 00 H ATOMO 152 2HB LEU A 12 8. 458 1 .342 -1. 299 1 .00 0. 00 H ATOMO 153 HG LEU A 12 8. 755 2 .494 0. 801 1 .00 0. 00 H ATOMO 154 1HD1 LEU A 12 10. 869 1 .769 2. 145 1 .00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 559 0 .198 1. 408 1 .00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 327 0 .959 2. 415 1, .00 0. 00 H ATOMO 157 1HD2 LEU A 12 10. 363 2 .754 -1. 266 1 .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 563 2 .180 -0. 109 1, .00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 639 3 .643 0. 231 1, .00 0. 00 H ATOMO 160 N ASN A 13 8. 667 -1 .358 2. 119 1 .00 0. 00 N ATOMO 161 CA ASN A 13 9. 345 -2 .402 2. 877 1. ,00 0. 00 c ATOMO 162 C ASN A 13 8. 352 -3 .334 3. 580 1, .00 0. 00 c ATOMO 163 0 ASN A 13 8.748 -4..148 4.413 1.00 0,.00 0 ATOMO 164 CB ASN A 13 10 .285 -1, .777 3 .908 1 .00 0, .00 C ATOMO 165 CG ASN A 13 9 .548 -0. .912 4 .912 1 .00 0. .00 C ATOMO 166 OD1 ASN A 13 9 .305 0. .270 4 .669 1 .00 0, ,00 0 ATOMO 167 ND2 ASN A 13 9 .188 -1. .498 6 .048 1 .00 0. .00 N ATOMO 168 H ASN A 13 8 .186 -0, .660 2 .605 1 .00 0, ,00 H ATOMO 169 HA ASN A 13 9 .930 -2. .984 2 .183 1 .00 0, .00 H ATOMO 170 1HB ASN A 13 10 .795 -2, ,563 4 .445 1 .00 0, ,00 H ATOMO 171 2HB ASN A 13 11 .013 -1. .164 3 .397 1 .00 0, .00 H ATOMO 172 1HD2 ASN A 13 9 .415 -2, .444 6 .172 1 .00 0. .00 H ATOMO 173 2HD2 ASN A 13 8 .710 -0. .963 6 .714 1 .00 0.00 H ATOMO 174 N THR A 14 7 .065 -3. .217 3 .247 1 .00 0. .00 N ATOMO 175 CA THR A 14 6 .043 -4. .055 3 .859 1 .00 0, .00 C ATOMO 176 C THR A 14 5 .480 -5. .050 2 .850 1 .00 0. .00 c ATOMO 177 0 THR A 14 5 .929 -5. .114 1 .705 1 .00 0. .00 0 ATOMO 178 CB THR A 14 4 .916 -3. ,189 4 .423 1 .00 0. ,00 c ATOMO 179 OG1 THR A 14 4 .344 -2. .385 3 .406 1 .00 0. .00 0 ATOMO 180 CG2 THR A 14 5 .370 -2. .268 5 .534 1 .00 0. .00 c ATOMO 181 H THR A 14 6 .796 -2. .557 2 .579 1 .00 0. .00 H ATOMO 182 HA THR A 14 6 .503 -4. .603 4 .669 1 .00 0. .00 H ATOMO 183 HB THR A 14 4 .144 -3. .832 4 .822 1 .00 0. .00 H ATOMO 184 HG1 THR A 14 3 .442 -2. ,160 3 .645 1 .00 0. .00 H ATOMO 185 1HG2 THR A 14 4 .541 -1. ,651 5 .853 1 .00 0. .00 H ATOMO 186 2HG2 THR A 14 6 .170 -1. ,637 5 .176 1 .00 0. .00 H ATOMO 187 3HG2 THR A 14 5 .722 -2. ,856 6 .368 1 .00 0. .00 H ATOMO 188 N GLN A 15 4 .494 -5. .827 3 .286 1 .00 0. .00 N ATOMO 189 CA GLN A 15 3 .864 -6. 823 2 .431 1 .00 0. ,00 c ATOMO 190 C GLN A 15 3 .111 -6. ,159 1 .277 1 .00 0. ,00 c ATOMO 191 0 GLN A 15 2 .701 -5. 003 1 .382 1 .00 0. ,00 0 ATOMO 192 CB GLN A 15 2 .906 -7. ,682 3 .255 1 .00 0. ,00 c ATOMO 193 CG GLN A 15 3 .541 -8. 276 4 .502 1 .00 0. 00 c ATOMO 194 CD GLN A 15 4 .740 -9. 149 4 .188 1 .00 0. ,00 c ATOMO 195 OE1 GLN A 15 5 .761 -8. 668 3 .698 1 .00 0. 00 0 ATOMO 196 NE2 GLN A 15 4 .620 -10. 443 4 .468 1 .00 0. .00 N ATOMO 197 H GLN A 15 4 .183 -5. 728 4, .207 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4 .641 -7. 452 2 .025 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 2 .066 -7. 076 3, .559 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2 .549 -8. 491 2 .640 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 3 .862 -7. 470 5. .145 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 2 .803 -8. 874 5 .016 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 3 .776 -10. 755 4, .856 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 5 .380 -11. 030 4 .274 1 .00 0. 00 H ATOMO 205 N PRO A 16 2 .911 -6. 881 0, .153 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2 .198 -6. 340 -1, .010 1 .00 0. 00 c ATOMO 207 C PRO A 16 0 .745 -6. 014 -0, .688 1 .00 0. 00 c ATOMO 208 O PRO A 16 0 .308 -6. 151 0, .453 1 .00 0. 00 0 ATOMO 209 CB PRO A 16 2 .277 -7. 467 -2 .047 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2 .535 -8. 702 -1. ,255 1, .00 0. 00 c ATOMO 211 CD PRO A 16 3 .354 -8. 271 -0, .074 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2 .684 -5. 457 -1. .397 1, .00 0. 00 H ATOMO 213 1HB PRO A 16 1 .342 -7. 530 -2. ,584 1, .00 0. 00 H ATOMO 214 2HB PRO A 16 3 .082 -7. 268 -2. ,738 1, .00 0. 00 H ATOMO 215 1HG PRO A 16 1 .599 -9. 130 -0. .926 1. .00 0. 00 H ATOMO 216 2HG PRO A 16 3, .084 -9. 414 -1. ,853 1. .00 0. 00 H ATOMO 217 1HD PRO A 16 3, .138 -8. 891 0. ,783 1, .00 0. 00 H ATOMO 218 2HD PRO A 16 4. .408 -8. 305 -0. 311 1. ,00 0. 00 H ATOMO 219 N CYS A 17 -0, .000 -5. 581 -1. ,699 1. .00 0. 00 N ATOMO 220 CA CYS A 17 -1..403 -5.236 -1.515 1.00 0.00 c ATOMO 221 C CYS A 17 -2. ,300 -6 .456 -1 .701 1 .00 0 .00 c ATOMO 222 0 CYS A 17 -1. .830 -7 .547 -2 .024 1 .00 0 .00 0 ATOMO 223 CB CYS A 17 -1. .816 -4 .129 -2 .487 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0. ,787 -2 .629 -2 .393 1 .00 0 .00 s ATOMO 225 H CYS A 17 0. ,402 -5 .491 -2 .587 1 .00 0 .00 H ATOMO 226 HA CYS A 17 -1. ,524 -4 .873 -0 .506 1 .00 0 .00 H ATOMO 227 1HB CYS A 17 -1. ,756 -4 .506 -3 .497 1 .00 0.00 H ATOMO 228 2HB CYS A 17 -2. ,835 -3 .841 -2 .276 1 .00 0 .00 H ATOMO 229 N CYS A 18 -3. 592 -6 .254 -1 .483 1 .00 0 .00 N ATOMO 230 CA CYS A 18 -4. 578 -7 .320 -1 .610 1 .00 0 .00 c ATOMO 231 C CYS A 18 -5. .365 -1 .175 -2 .907 1 .00 0 .00 c ATOMO 232 0 CYS A 18 -5. ,304 -6 .140 -3 .570 1 .00 0 .00 0 ATOMO 233 CB CYS A 18 -5. 537 -7 .289 -0 .416 1 .00 0 .00 c ATOMO 234 SG CYS A 18 - . 712 -7 .336 1 .208 1 .00 0 .00 s ATOMO 235 H CYS A 18 -3. 891 -5 .360 -1 .222 1 .00 0 .00 H ATOMO 236 HA CYS A 18 -4. ,054 -8 .263 -1 .619 1 .00 0 .00 H ATOMO 237 1HB CYS A 18 -6. ,119 -6 .381 -0 .458 1 .00 0 .00 H ATOMO 238 2HB CYS A 18 -6. 202 -8 .137 -0 .473 1 .00 0 .00 H ATOMO 239 N ASP A 19 -6. 105 -8 .219 -3 .266 1 .00 0 .00 N ATOMO 240 CA ASP A 19 -6. ,908 -8 .210 -4 .487 1 .00 0 .00 c ATOMO 241 C ASP A 19 -6. ,053 -7 .870 -5 .706 1 .00 0 .00 c ATOMO 242 0 ASP A 19 -6. ,531 -7 .258 -6.661 1 .00 0 .00 0 ATOMO 243 CB ASP A 19 -8. 054 -7 .203 -4 .359 1 .00 0 .00 c ATOMO 244 CG ASP A 19 -9. 060 -7 .603 -3 .298 1 .00 0 .00 c ATOMO 245 ODl ASP A 19 -9. 260 -6 .822 -2 .344 1 .00 0 .00 o ATOMO 246 OD2 ASP A 19 -9. 649 -8 .698 -3 .421 1 .00 0 .00 o ATOMO 247 H ASP A 19 -6. 111 -9 .014 -2 .695 1 .00 0 .00 H ATOMO 248 HA ASP A 19 -7. 323 -9 .198 -4 .618 1 .00 0 .00 H ATOMO 249 1HB ASP A 19 -7. 648 -6 .237 -4 .096 1 .00 0 .00 H ATOMO 250 2HB ASP A 19 -8. 567 -7 .128 -5 .307 1 .00 0 .00 H ATOMO 251 N ASP A 20 -4. 787 -8 .270 -5 .660 1 .00 0 .00 N ATOMO 252 CA ASP A 20 -3. 858 -8 .011 -6 .752 1 .00 0 .00 c ATOMO 253 C ASP A 20 -3. 635 -6 .514 -6 .937 1 .00 0 .00 c ATOMO 254 O ASP A 20 -3. 496 -6 .030 -8 .060 1 .00 0 .00 0 ATOMO 255 CB ASP A 20 -4. 371 -8 .630 -8 .053 1 .00 0 .00 c ATOMO 256 CG ASP A 20 -4. 659 -10 .114 -7 .920 1 .00 0 .00 c ATOMO 257 ODl ASP A 20 -4. 726 -10 .608 -6 .774 1 .00 0 .00 0 ATOMO 258 OD2 ASP A 20 -4. 815 -10 .784 -8 .962 1 .00 0 .00 0 ATOMO 259 H ASP A 20 -4. 468 -8 .751 -4 .870 1 .00 0 .00 H ATOMO 260 HA ASP A 20 -2. 915 -8 .468 -6 .495 1 .00 0, .00 H ATOMO 261 1HB ASP A 20 -5. 282 -8 .132 -8 .347 1 .00 0, .00 H ATOMO 262 2HB ASP A 20 -3. 628 -8 .495 -8 .823 1 .00 0, .00 H ATOMO 263 N ALA A 21 -3. 597 -5 .785 -5 .826 1 .00 0, .00 N ATOMO 264 CA ALA A 21 -3. 384 -4 .343 -5 .866 1 .00 0. .00 c ATOMO 265 C ALA A 21 -1. 903 -4 .018 -6 .012 1 .00 0, .00 c ATOMO 266 0 ALA A 21 -1. 059 -4 .913 -6 .028 1 .00 0, .00 0 ATOMO 267 CB ALA A 21 -3. 945 -3, .684 -4 .613 1 .00 0. .00 c ATOMO 268 H ALA A 21 -3. 710 -6 .230 -4 .958 1 .00 0. .00 H ATOMO 269 HA ALA A 21 -3. 915 -3 .951 -6 .720 1 .00 0, .00 H ATOMO 270 1HB ALA A 21 -3. 948 -4, .395 -3, .803 1 .00 0. .00 H ATOMO 271 2HB ALA A 21 -4. 953 -3, .348 -4, .803 1, .00 0. .00 H ATOMO 272 3HB ALA A 21 -3. 329 -2, .836 -4, .345 1, .00 0. ,00 H ATOMO 273 N THR A 22 -1. 596 -2, .731 -6, .113 1, .00 0. .00 N ATOMO 274 CA THR A 22 -0. 222 -2, .284 -6, .255 1, .00 0. ,00 c ATOMO 275 C THR A 22 0. 024 -1. .035 -5, .415 1, .00 0. ,00 c ATOMO 276 O THR A 22 -0. 824 -0. .145 -5, .345 1. .00 0. .00 0 ATOMO 277 CB THR A 22 0.091 -1.999 -7.723 1.00 0.00 C ATOMO 278 OG1 THR A 22 -0. 130 -3. 153 -8. 515 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 516 -1. 551 -7. 955 1 .00 0. 00 C ATOMO 280 H THR A 22 -2. 313 -2. 065 -6. 093 1 .00 0. 00 H ATOMO 281 HA THR A 22 0. 423 -3. 075 -5. 903 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. 563 -1. 216 -8. 074 1 .00 0. 00 H ATOMO 283 HG1 THR A 22 -0. 193 -2. 899 -9. 439 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1. 533 -0. 485 -8. 129 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 1. 919 -2. 064 -8. 814 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 2. 111 -1. 783 -7. 084 1 .00 0. 00 H ATOMO 287 N CYS A 23 1. 192 -0. 976 -4. 784 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1. 552 0. 166 -3. 955 1 .00 0. 00 C ATOMO 289 C CYS A 23 2. 016 1. 320 -4. 840 1 .00 0. 00 c ATOMO 290 0 CYS A 23 3. 054 1. 231 -5. 497 1 .00 0. 00 0 ATOMO 291 CB CYS A 23 2. 655 -0. 231 -2. 969 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2. 786 0. 850 -1. 507 1 .00 0. 00 S ATOMO 293 H CYS A 23 1. 826 -1. 715 -4. 882 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0. 675 o'. 474 -3. 405 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2. 467 -1. 234 -2. 617 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3. 607 -0. 208 -3. 480 1 .00 0. 00 H ATOMO 297 N THR A 24 1. 229 2. 393 -4. 877 1 .00 0. 00 N ATOMO 298 CA THR A 24 1. 545 3. 548 -5. 704 1 .00 0. 00 c ATOMO 299 C THR A 24 1. 727 4. 811 -4. 867 1 .00 0. 00 c ATOMO 300 O THR A 24 1. 196 4. 932 -3. 763 1 .00 0. 00 o ATOMO 301 CB THR A 24 0. 439 3. 763 -6. 746 1 .00 0. 00 c ATOMO 302 OG1 THR A 24 0. 419 2. 697 -7. 680 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0. 580 5. 053 -7. 531 1 .00 0. 00 c ATOMO 304 H THR A 24 0. 407 2. 401 -4. 350 1 .00 0. 00 H ATOMO 305 HA THR A 24 2. 471 3. 340 -6. 220 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0. 516 3. 786 -6. 240 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 -0. 447 2. 282 -7. 672 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 392 5. 892 -6. 875 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 133 5. 064 -8. 341 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 581 5. 126 -7. 927 1 .00 0. 00 H ATOMO 311 N GLN A 25 2. 468 5. 753 -5. 434 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2. 727 7. 031 -4. 797 1 .00 0. 00 c ATOMO 313 C GLN A 25 1. 500 7. 934 -4. 908 1 .00 0. 00 c ATOMO 314 O GLN A 25 0. 926 8. 091 -5. 987 1 .00 0. 00 o ATOMO 315 CB GLN A 25 3. 942 7. 696 -5. 456 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4. 195 9. 115 -4. 986 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5. 582 9. 612 -5. 340 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6. 584 8. 975 -5. 013 1 .00 0. 00 o ATOMO 319 NE2 GLN A 25 5. 648 10. 756 -6. 010 1 .00 0. 00 N ATOMO 320 H GLN A 25 2. 839 5. 587 -6. 322 1 .00 0. 00 H ATOMO 321 HA GLN A 25 2. 943 6. 856 -3. 755 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4. 820 7. 107 -5. 238 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3. 789 7. 715 -6. 525 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3. 466 9. 763 -5. 448 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 074 9. 149 -3. 914 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 4. 809 11. 208 -6. 237 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6. 534 11. 100 -6. 252 1 .00 0. 00 H ATOMO 328 N GLU A 26 1. 106 8. 523 -3. 788 1 .00 0. 00 N ATOMO 329 CA GLU A 26 -0. 050 9. 410 -3. 755 1 .00 0. 00 c ATOMO 330 C GLU A 26 0. 163 10. 545 -2. 760 1 .00 0. 00 c ATOMO 331 0 GLU A 26 1. 218 10. 647 -2. 135 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1. 311 8. 625 -3. 391 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1. 569 7. 439 -4. 304 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2.899 6.767 -4.026 1.00 0.00 C ATOMO 335 0E1 GLÜ A 26 -3. 856 7. 477 -3. 650 1 .00 0. 00 0 ATOMO 336 OE2 GLU A 26 -2. 986 5. 531 -4. 185 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1. 605 8. 357 -2. 963 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0. 174 9. 830 -4. 741 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1. 215 8. 260 -2. 379 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2. 162 9. 286 -3. 446 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1. 565 7. 781 -5. 328 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 780 6. 715 -4. 164 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0. 845 11. 399 -2. 622 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0. 771 12. 532 -1. 706 1 .00 0. 00 C ATOMO 345 C ARG A 27 -1. 732 12. 347 -0. 536 1 .00 0. 00 C ATOMO 346 0 ARG A 27 -2. 797 11. 747 -0. 681 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -1. 092 13. 833 -2. 444 1 .00 0. 00 C ATOMO 348 CG ARG A 27 0. 044 14. 327 -3. 326 1 .00 0. 00 c ATOMO 349 CD ARG A 27 0. 159 15. 843 -3. 294 1 .00 0. 00 c ATOMO 350 NE ARG A 27 -1. 028 16. 494 -3. 846 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 -1. 340 16. 505 -5. 142 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 -0. 557 15. 903 -6. 032 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 -2. 442 17. 121 -5. 551 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1. 659 11. 264 -3. 151 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0. 237 12. 584 -1. 323 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -1. 960 13. 676 -3. ,067 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1. 314 14. 599 -1. ,716 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0. 971 13. 899 -2. ,976 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0. 139 14. 010 -4. 343 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 0. 288 16. 159 -2. ,270 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 1. 023 16. 138 -3. ,873 1 .00 0. 00 H ATOMO 362 HE ARG A 27 -1. 626 16. 950 -3. ,217 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 0. 275 15. 437 -5. ,736 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 -0. 802 15. 918 -7. ,002 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 -3. 035 17. 576 -4. ,887 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 -2. 679 17. 130 -6. 522 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1. 349 12. 868 0. ,627 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2. 178 12. 759 1.822 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2. 796 14. 106 2. ,183 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2. 641 15. 088 1. ,457 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1. 349 12. 231 2. .997 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0. 222 13. 170 3. .381 1 .00 0. 00 c ATOMO 373 OD1 • ASN A 28 0. 050 14. 149 2. .687 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 441 12. B74 4. .492 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0. 490 13. 335 0. ,682 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -2. 971 12. 058 1. ,612 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -1. 992 12. 102 3. ,855 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0. 921 11. 279 2. 725 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 0. 170 12. 077 4. 996 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 1. 175 13. 464 4. ,766 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3. 497 14. 144 3. ,312 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4. 139 15. 370 3. 772 1 .00 0. 00 c ATOMO 383 C GLU A 29 -3. 102 16. 444 4. 083 1 .00 0. 00 c ATOMO 384 O GLU A 29 -3. 365 17. 637 3. 933 1 .00 0. 00 o ATOMO 385 CB GLU A 29 -4. 988 15. 088 5. 013 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -6. 343 14. 477 4. 698 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -7. 026 13. 907 5. 926 1 .00 0. 00 c ATOMO 388 OE1 GLU A 29 -8. 256 14. 078 6. 054 1 .00 0. 00 0 ATOMO 389 OE2 GLU A 29 -6. 329 13. 290 6. 759 1 .00 0. 00 o ATOMO 390 H GLU A 29 -3. 585 13. 330 3. 849 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -4.782 15.725 2.980 1.00 0.00 H ATOMO 392 1HB GLU A 29 -4 .451 14. 405 5 .655 1.00 0 .00 H ATOMO 393 2HB GLU A 29 -5 .148 16. 014 5 .542 1.00 0 .00 H ATOMO 394 1HG GLU A 29 -6 .979 15. 242 .275 1.00 0 .00 H ATOMO 395 2HG GLU A 29 -6 .209 13. 684 3 .977 1.00 0 .00 H ATOMO 396 N ASN A 30 -1 .922 16. 013 4 .518 1.00 0 .00 N ATOMO 397 CA ASN A 30 -0 .845 16. 939 4 .851 1.00 0 .00 C ATOMO 398 C ASN A 30 -0 .2.00 17. 504 3 .589 1.00 0 .00 C ATOMO 399 0 ASN A 30 ' 0 .306 18. 625 3 .589 1.00 0 .00 0 ATOMO 400 CB ASN A 30 0 .210 16. ,238 5 .708 1.00 0 .00 c ATOMO 401 CG ASN A 30 -0 .341 15. 778 7 .043 1.00 0 .00 c ATOMO 402 ODl ASN A 30 -0 .453 16. ,563 7 .985 1.00 0 .00 0 ATOMO 403 ND2 ASN A 30 -0 .687 14. ,499 7 .132 1.00 0 .00 N ATOMO 404 H ASN A 30 -1 .772 15. 049 4 .618 1.00 0 .00 H ATOMO 405 HA ASN A 30 -1 .273 17. ,753 5 .417 1.00 0 .00 H ATOMO 406 1HB ASN A 30 0 .581 15. ,374 5 .177 1.00 0 .00 H ATOMO 407 2HB ASN A 30 1 .027 16. ,920 5 .892 1.00 0 .00 H ATOMO 408 1HD2 ASN A 30 -0 .569 13. ,932 6 .342 1.00 0 .00 H ATOMO 409 2HD2 ASN A 30 -1 .046 14. 174 7 .984 1.00 0 .00 H ATOMO 410 N GLY A 31 -0 .221 16. ,721 2 .514 1.00 0 .00 N ATOMO 411 CA GLY A 31 0 .367 17. ,166 1 .263 1.00 0 .00 c ATOMO 412 C GLY A 31 1 .708 16. .510 0 .959 1.00 0 .00 c ATOMO 413 O GLY A 31 2 .338 16. 831 -0 .048 1.00 0 .00 0 ATOMO 414 H GLY A 31 -0 .638 15. 835 2 .570 1.00 0 .00 H ATOMO 415 1HA GLY A 31 -0 .317 16. ,939 0 .460 1.00 0 .00 H ATOMO 416 2HA GLY A 31 0 .507 18. 235 1 .307 1.00 0 .00 H ATOMO 417 N HIS A 32 2 .147 15. ,594 1 .820 1.00 0 .00 N ATOMO 418 CA HIS A 32 3 .416 14. 906 1 .617 1.00 0 .00 c ATOMO 419 C HIS A 32 3 .215 13. 639 0 .789 1.00 0 .00 c ATOMO 420 0 HIS A 32 2 .115 13. 089 0 .739 1.00 0 .00 o ATOMO 421 CB HIS A 32 4 .058 14. 567 2 .968 1.00 0 .00 c ATOMO 422 CG HIS A 32 5 .378 15. ,241 3 .188 1.00 0 .00 c ATOMO 423 ND1 HIS A 32 5 .496 16. 528 3 .669 1.00 0 .00 N ATOMO 424 CD2 HIS A 32 6 .642 14. 798 2 .990 1.00 0 .00 c ATOMO 425 CEl HIS A 32 6 .775 16. 849 3 .755 1.00 0 .00 c ATOMO 426 NE2 HIS A 32 7 .491 15. 816 3 .350 1.00 0 .00 N ATOMO 427 H HIS A 32 1 .609 15. 370 2 .606 1.00 0 .00 H ATOMO 428 HA HIS A 32 4 .070 15. 574 1 .076 1.00 0, .00 H ATOMO 429 1HB HIS A 32 3 .394 14. 878 3 .761 1.00 0, .00 H ATOMO 430 2HB HIS A 32 4 .214 13. 500 3 .036 1.00 0, .00 H ATOMO 431 HDl HIS A 32 4 .752 17. 120 3 .910 1.00 0, .00 H ATOMO 432 HD2 HIS A 32 6 .931 13. 825 2 .618 1.00 0, .00 H ATOMO 433 HEl HIS A 32 7 .168 17. 793 .100 1.00 0, .00 H ATOMO 434 HE2 HIS A 32 8 .468 15. 753 3. .398 1.00 0. ,00 H ATOMO 435 N THR A 33 4 .281 13. 182 0 .141 1.00 0, .00 N ATOMO 436 CA THR A 33 4 .210 11. 981 -0, .684 1.00 0. .00 c ATOMO 437 C THR A 33 3 .983 10. 742 0, .172 1.00 0. .00 c ATOMO 438 O THR A 33 4 .664 10. 533 1, .177 1.00 0. .00 o ATOMO 439 CB THR A 33 5 .489 11. 817 -1, .505 1.00 0. .00 c ATOMO 440 OGl THR A 33 5 .739 12. 974 -2, .282 1.00 0. .00 0 ATOMO 441 CG2 THR A 33 5 .444 10. 631 -2, .446 1.00 0. .00 c ATOMO 442 H THR A 33 5 .132 13. 661 0, .217 1.00 0. .00 H ATOMO 443 HA THR A 33 3 .374 12. 094 -1. .358 1.00 0. .00 H ATOMO 444 HB THR A 33 6 .322 11. 674 -0. .831 1.00 0. ,00 H ATOMO 445 HGl THR A 33 6 .597 13. 338 -2. .049 1.00 0. ,00 H ATOMO 446 1HG2 THR A 33 6 .447 10. 370 -2. .748 1.00 0. .00 H ATOMO 447 2HG2 THR A 33 .860 10. 887 -3, .318 1.00 0, ,00 H ATOMO 448 3HG2 THR A 33 4.989 9.790 -1.944 1.00 0.00 H ATOMO 449 N VAL A 34 3. 022 9. 922 -0 .236 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2. 699 8. 698 0 .486 1 .00 0. 00 C ATOMO 451 C VAL A 34 2. 517 7. 534 -0 .477 1 .00 0. 00 C ATOMO 452 0 VAL A 34 2. 538 7. 712 -1 .694 1 .00 0. 00 0 ATOMO 453 CB VAL A 34 1. 417 8. 860 1 .323 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 1. 647 9. 829 2 .474 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 263 9. 327 0 .448 1 .00 0. 00 c ATOMO 456 H VAL A 34 2. 517 10. 145 -1 .046 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3. 517 8. 474 1 .154 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1. 158 7. 898 1 .739 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. 689 9. 809 2 .757 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 1. 040 9. 537 3 .317 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. 377 10. 827 2 .163 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0. 520 10. 268 -0 .014 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. 621 9. 451 1 .054 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. 073 8. 590 -0 .319 1 .00 0. 00 H ATOMO 465 N TYR A 35 2. 341 6. 342 0 .074 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2. 154 5. 143 -0 .738 1 .00 0. 00 c ATOMO 467 C TYR A 35 0. 835 4. 462 -0 .391 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0. 576 4. 147 0 .771 1 .00 0. 00 o ATOMO 469 CB TYR A 35 3. 317 4. ,171 -0 .529 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4. 675 4. .840 -0 .486 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5. 212 5. ,435 -1 .621 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5. 416 4. ,876 0 .688 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6. 450 6. ,046 -1 .587 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6. 655 5. ,486 0 .729 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7. 168 6. ,069 -0 .409 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8. 401 6. ,678 -0 .372 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2. 337 6. ,265 1 .050 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2. 128 5. 444 -1 .775 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3. 177 3. ,647 0 .404 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3. 325 3. ,457 -1 .339 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 4. 647 5. 415 -2 .541 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 5. 012 4. ,418 1 .578 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 6. 851 6. ,503 -2 .480 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7. 216 5. 504 1 .652 1 .00 0. 00 H ATOMO 485 HH TYR A 35 9. 017 6. .123 0 .113 1 .00 0. 00 H ATOMO 486 N TYR A 36 -0. 004 4. 245 -1 .402 1 .00 0. 00 N ATOMO 4B7 CA TYR A 36 -1. 300 3. ,608 -1 .192 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1. 478 2. 388 -2 .093 1 .00 0. 00 c ATOMO 489 O TYR A 36 -0. 726 2. 190 -3 .046 1 .00 0. 00 0 ATOMO 490 CB TYR A 36 -2. 428 4. 612 -1 .443 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2. 911 5. 304 -0 .188 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -2. 213 6. 379 0 .349 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -4. 065 4. 881 0 .460 1 .00 0. 00 c ATOMO 494 CE1 TYR A 36 -2. 652 7. 012 1 .496 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4. 510 5. 510 1 .607 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3. 800 6. 575 2 .121 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -4. 240 7. 204 3 .263 1 .00 0. 00 0 ATOMO 498 H TYR A 36 0. 252 4. 525 -2 .307 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1. 346 3. 284 -0 .164 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -2. 078 5. 372 -2 .125 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3. 269 4. 099 -1 .884 1 .00 0. 00 H ATOMO 502 HD1 TYR A 36 -1. 314 6. 719 -0 .143 1 .00 0. 00 H ATOMO 503 HD2 TYR A 36 -4. 619 4. 047 0 .055 1 .00 0. 00 H ATOMO 504 HE1 TYR A 36 -2. 095 7. 846 1 .899 1 .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5.410 5.,167 2.097 1.00 0.00 H ATOMO 506 HH TYR A 36 -4 .336 8. ,144 3 .095 1 .00 0 .00 H ATOMO 507 N CYS A 37 -2 .477 1. 573 -1, .773 1 .00 0 .00 N ATOMO 508 CA CYS A 37 -2 .764 0. ,363 -2 .541 1 .00 0 .00 c ATOMO 509 C CYS A 37 -3 .931 0. ,588 -3, .494 1 .00 0 .00 c ATOMO 510 0 CYS A 37 -4 .956 1. ,154 -3, .117 1 .00 0 .00 0 ATOMO 511 CB CYS A 37 -3 .081 -0. .802 -1 .600 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1 .606 -1. ,574 -0 .863 1 .00 0 .00 s ATOMO 513 H CYS A 37 -3 .031 1. ,788 -0, .993 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1 .886 0. .116 -3 .120 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3 .707 -0. ,448 -0, .794 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3 .611 -1. .565 -2 .145 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3 .763 0. ,145 -4, .737 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 .794 0. .301 -5 .752 1 .00 0 .00 c ATOMO 519 C ARG A 38 -5 .056 -1. .018 -6, .466 1 .00 0 .00 c ATOMO 520 O ARG A 38 -4 .134 -1. .663 -6 .964 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4 .3B3 1. ,370 -6, .765 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -4 .078 2. .717 -6 .135 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5 .326 3. ,345 -5, .536 1 .00 0 .00 c ATOMO 524 NE ARG A 38 -5 .260 4. ,805 -5, .546 1 .00 0 .00 N ATOMO 525 cz ARG A 38 -6 .191 5. .599 -5, .016 1 .00 0 .00 c ATOMO 526 NH1 ARG A 38 -7 .268 5. ,083 -4, .433 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -6 .044 6. ,915 -5, .071 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .921 -0. 295 -4. .978 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .702 0. ,614 -5, .257 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .500 1. 032 -7, .289 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .184 1. .502 -7, .477 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .345 2. 581 -5. .355 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .682 3. 377 -6. .894 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .184 3. 028 -6. .110 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .429 3. 005 -4. .516 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4 .480 5. 218 -5. .971 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .389 4. 092 -4. ,387 1 .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -7 .959 5. 689 -4. .039 1 .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5 .236 7. 311 -5. ,509 1 .00 0 .00 H ATOMO 540 2HH2 ARG A 38 -6 .740 7. 513 -4. .675 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6. .321 -1. 410 -6. ,511 1, .00 0 .00 N ATOMO 542 CA ALA A 39 -6 .714 -2. 652 -7. ,163 1 .00 0 .00 c ATOMO 543 c ALA A 39 -6, .535 -2. 558 -8. ,675 1, .00 0 .00 c ATOMO 544 0 ALA A 39 -7 .272 -1. 773 -9. ,309 1, .00 0 .00 0 ATOMO 545 CB ALA A 39 -8, .156 -2. 994 -6. ,821 1, .00 0, .00 c ATOMO 546 OXT ALA A 39 -5. .659 -3. 268 -9. 211 1, .00 0, .00 0 ATOMO 547 H ALA A 39 -7, .009 -0. 851 -6. 093 1. .00 0, .00 H ATOMO 548 HA ALA A 39 -6. .082 -3. 442 -6. 783 1. .00 0, .00 H ATOMO 549 1HB ALA A 39 -8, ,207 -3. 376 -5. 812 1. .00 0 .00 H ATOMO 550 2HB ALA A 39 -8. .523 -3. 742 -7. 508 1. .00 0, .00 H ATOMO 551 3HB ALA A 39 -8. .765 -2. 105 -6. 899 1, .00 0, .00 H TER 552 ALA A 39 END DL MODELO 3 ATOMO 1 N GLY A 1 -4, .314 -14. 284 3. 450 1. .00 0, .00 N ATOMO 2 CA GLY A 1 -2. .925 -14. 214 3. 986 1. .00 0, .00 c ATOMO 3 C GLY A 1 -2. ,605 -12. 864 4. 592 1. ,00 0, .00 c ATOMO 4 0 GLY A 1 -3. .413 -12. 298 5. 329 1. ,00 0. .00 0 ATOMO 5 1H GLY A 1 -4. .714 -15. 229 3. 617 1. ,00 0. .00 H ATOMO 6 2H GLY A 1 -4. ,311 -14. 097 2. 427 1. ,00 0. .00 H ATOMO 7 3H GLY A 1 -4. 913 -13. 577 3. 919 1. 00 0. ,00 H ATOMO 8 1HA GLY A 1 -2.806 -14.975 4.744 1.00 0,.00 H ATOMO 9 2HA GLY A 1 -2 .231 -14 .411 3 .182 1 .00 0 .00 H ATOMO 10 N SER A 2 -1 .421 -12 .343 4 .282 1 .00 0 .00 N ATOMO 11 CA SER A 2 -0 .992 -11 .049 4 .800 1 .00 0. .00 c ATOMO 12 C SER A 2 -0 .739 -10 .065 3 .663 1 .00 0, .00 c ATOMO 13 0 SER A 2 0 .235 -10 .196 2 .922 1 .00 0 .00 0 ATOMO 14 CB SER A 2 0 .273 -11 .208 5 .645 1 .00 0, .00 c ATOMO 15 OG SER A 2 0 .137 -12 .270 6 .573 1 .00 0, .00 0 ATOMO 16 H SER A 2 -0 .821 -12 .843 3 .690 1 .00 0, .00 H ATOMO 17 HA SER A 2 -1 .785 -10 .662 5 .425 1 .00 0, .00 H ATOMO 18 1HB SER A 2 1 .111 -11 .418 4 .998 1 .00 0 .00 H ATOMO 19 2HB SER A 2 0 .459 -10 .292 6 .188 1 .00 0, .00 H ATOMO 20 HG SER A 2 1 .007 -12 .579 6 .837 1 .00 0, .00 H ATOMO 21 N CYS A 3 -1 .619 -9 .077 3 .534 1 .00 0 .00 N ATOMO 22 CA CYS A 3 -1 .487 -8 .069 2 .490 1 .00 0, .00 c ATOMO 23 C CYS A 3 -2 .124 -6 .754 2 .922 1 .00 0, .00 c ATOMO 24 0 CYS A 3 -2 .844 -6 .697 3 .919 1 .00 0 .00 0 ATOMO 25 CB CYS ? 3 -2 .129 -8 .558 1 .188 1 .00 0, .00 c ATOMO 26 SG CYS A 3 -3 .907 -8 .946 1 .326 1 .00 0, .00 s ATOMO 27 H CYS A 3 -2 .372 -9 .022 4 .157 1 .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .433 -7 .905 2 .319 1 .00 0, .00 H ATOMO 29 1HB CYS A 3 -2 .021 -7 .795 0 .433 1 .00 0 .00 H ATOMO 30 2HB CYS A 3 -1 .622 -9 .454 0 .861 1 .00 0, .00 H ATOMO 31 N VAL A 4 -1 .853 -5 .700 2 .164 1 .00 0, .00 N ATOMO 32 CA VAL A 4 -2 .393 -4 .384 2 .456 1 .00 0, .00 c ATOMO 33 C VAL A 4 -3 .732 -4 .178 1 .740 1 .00 0. .00 c ATOMO 34 O VAL A 4 -3 .837 -4 .433 0 .545 1 .00 0, .00 o ATOMO 35 CB VAL A 4 -1 .401 -3 .292 2 .015 1 .00 0, .00 c ATOMO 36 CG1 VAL A 4 -1 .963 -1 .900 2 .265 1 .00 0. .00 c ATOMO 37 CG2 VAL A 4 -0 .073 -3 .474 2 .726 1 .00 0. .00 c ATOMO 38 H VAL A 4 -1 .274 -5 .808 1 .383 1 .00 0, .00 H ATOMO 39 HA VAL A 4 -2 .533 -4 .307 3 .521 1 .00 0. .00 H ATOMO 40 HB VAL A 4 -1 .232 -3 .401 0 .954 1 .00 0. .00 H ATOMO 41 1HG1 VAL A 4 -1 .173 -1 .172 2 .174 1 .00 0. .00 H ATOMO 42 2HG1 VAL A 4 -2 .385 -1 .857 3 .256 1 .00 0. .00 H ATOMO 43 3HG1 VAL A 4 -2 .734 -1 .690 1 .537 1 .00 0. .00 H ATOMO 44 1HG2 VAL A 4 0 .093 - .525 2 .913 1 .00 0. .00 H ATOMO 45 2HG2 VAL A 4 -0 .092 -2 .940 3 .666 1 .00 0. .00 H ATOMO 46 3HG2 VAL A 4 0 .723 -3 .089 2 .108 1 .00 0, ,00 H ATOMO 47 N PRO A 5 - .777 -3 .702 2 .444 1 .00 0. .00 N ATOMO 48 CA PRO A 5 -6 .082 -3 .474 1 .823 1 .00 0. .00 c ATOMO 49 C PRO A 5 -6 .031 -2 .347 0 .795 1 .00 0, .00 c ATOMO 50 0 PRO A 5 -5 .419 -1. .298 1. .030 1 .00 0. 00 o ATOMO 51 CB PRO A 5 -6 .998 -3. .089 2 .995 1 .00 0. ,00 c ATOMO 52 CG PRO A 5 -6 .235 -3 .435 4 .232 1 .00 0. ,00 c ATOMO 53 CD PRO A 5 -4, .782 -3. .339 3, .869 1, .00 0. 00 c ATOMO 54 HA PRO A 5 -6, .455 -4, .373 1, .349 1 .00 0. 00 H ATOMO 55 1HB PRO A 5 -7. .217 -2. .033 2. .951 1, .00 0. 00 H ATOMO 56 2HB PRO A 5 -7. .918 -3. .652 2. .933 1, .00 0. 00 H ATOMO 57 1HG PRO A 5 -6. .471 -2. .731 5, .016 1, .00 0. 00 H ATOMO 58 2HG PRO A 5 -6. ,47B -4. .440 4. .544 1. .00 0. 00 H ATOMO 59 1HD PRO A 5 -4. .420 -2. .331 4. .014 1, .00 0. 00 H ATOMO 60 2HD PRO A 5 -4 , .201 -4. .037 4. .450 1. .00 0. 00 H ATOMO 61 N VAL A 6 -6. .684 -2. ,555 -0. ,344 1. ,00 0. 00 N ATOMO 62 CA VAL A 6 -6. .712 -1. ,551 -1. ,389 1. .00 0. 00 c ATOMO 63 C VAL A 6 -7. .299 -0. .259 -o . ,851 1. .00 0. 00 c ATOMO 64 0 VAL A 6 -8. .113 -0. ,274 0. ,071 1. .00 0. 00 o ATOMO 65 CB VAL A 6 -7.510 -2.040 -2.613 1.00 0.00 c ATOMO 66 CG1 VAL A 6 -7. 574 -0 .969 -3. 691 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6. 883 -3 .306 -3. 161 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7. 165 -3 .393 -0. 478 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5. 693 -1 .368 -1. 700 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8. 516 -2 .267 -2. 298 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8. 037 -0 .081 -3. 287 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8. 157 -1 .334 -4. 523 1. 00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6. 574 -0 .736 -4. 023 1. 00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5. 822 -3 .297 -2. 956 1. 00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7. 043 -3 .354 -4. 227 1. 00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7. 333 -4 .165 -2. 687 1. 00 0. 00 H ATOMO 77 N ASP A 7 -6. 845 0 .854 -1. 408 1. 00 0. 00 N ATOMO 78 CA ASP A 7 -7. 275 2 .170 -0. 976 1. 00 0. 00 c ATOMO 79 C ASP A 7 -6. 649 2 .529 0. 374 1. 00 0. 00 c ATOMO 80 0 ASP A 7 -6. 967 3 .572 0. 946 1. 00 0. 00 o ATOMO 81 CB ASP A 7 -8. 800 2 .253 -0. 900 1. 00 0. 00 c ATOMO 82 CG ASP A 7 -9. 471 1 .753 -2. 163 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -10. 169 0 .720 -2. 095 1. 00 0. 00 o ATOMO 84 OD2 ASP A 7 -9. 298 2 .394 -3. 221 1. 00 0. 00 o ATOMO 85 H ASP A 7 -6. 179 0 .791 -2. 109 1. 00 0. 00 H ATOMO 86 HA ASP A 7 -6. 926 2 .880 -1. 711 1. 00 0. 00 H ATOMO 87 1HB ASP A 7 -9. 146 1 .656 -0. 070 1. 00 0. 00 H ATOMO 88 2HB ASP A 7 -9. 083 3 .278 -0. 745 1. 00 0. 00 H ATOMO 89 N GLN A 8 -5. 742 1 .676 0. 883 1. 00 0. 00 N ATOMO 90 CA GLN A 8 -5. 084 1 .946 2. 149 1. 00 0. 00 c ATOMO 91 C GLN A 8 -3. 585 2 .140 1. 938 1. 00 0. 00 c ATOMO 92 0 GLN A 8 -3. 022 1 .642 0. 962 1. 00 0. 00 o ATOMO 93 CB GLN A 8 -5. 330 0 .813 3. 146 1. 00 0. 00 c ATOMO 94 CG GLN A 8 -6. 793 0 .430 3. 285 1. 00 0. 00 c ATOMO 95 CD GLN A 8 -7. 654 1 .586 3. 758 1. 00 0. 00 c ATOMO 96 OE1 GLN A 8 -7. 644 2 .665 3. 167 1. 00 0. 00 o ATOMO 97 NE2 GLN A 8 -8. 405 1 .363 4. 830 1. 00 0. 00 N ATOMO 98 H GLN A 8 -5. 502 0 .858 0. 393 1. 00 0. 00 H ATOMO 99 HA GLN A 8 -5. 498 2 .859 2. 543 1. 00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 780 -0 .058 2. 824 1. 00 0. 00 H ATOMO 101 2HB GLN A 8 -4. 966 1 .118 4. 116 1. 00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 158 0 .099 2. 326 1. 00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 875 -0 .375 4. 000 1. 00 0. 00 H ATOMO 104 1HE2 GLN A 8 -8. 362 0 .480 5. 251 1. 00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8. 972 2 .093 5. 159 1. 00 0. 00 H ATOMO 106 N PRO A 9 -2. 910 2 .876 2. 841 1. 00 0. 00 N ATOMO 107 CA PRO A 9 -1. 475 3 .131 2. 719 1. 00 0. 00 c ATOMO 108 C PRO A 9 -0. 630 1 .875 2. 860 1. 00 0. 00 c ATOMO 109 O PRO A 9 -0. 916 0 .999 3. 678 1. 00 0. 00 o ATOMO 110 CB PRO A 9 -1. 170 4 .100 3. 861 1. 00 0. 00 c ATOMO 111 CG PRO A 9 -2. 287 3 .929 4. 833 1. 00 0. 00 c ATOMO 112 CD PRO A 9 -3. 491 3 .525 4. 032 1. 00 0. 00 c ATOMO 113 HA PRO A 9 -1. 244 3 .606 1. 779 1. 00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 218 3 .849 4. 306 1. 00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 132 5 .103 3. 471 1. 00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 037 3 .156 5. 545 1. 00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 477 4 .859 5. 343 1. 00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 099 2 .831 4. 591 1. 00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 070 4 .393 3. 752 1. 00 0. 00 H ATOMO 120 N CYS A 10 0. 422 1 .810 2. 058 1. 00 0. 00 N ATOMO 121 CA CYS A 10 1. 341 0 .681 2. 080 1. 00 0. 00 c ATOMO 122 C CYS A 10 2.779 1.165 2.207 1.00 0.00 c ATOMO 123 0 CYS A 10 3. 036 2. 366 2 .303 1 .00 0. 00 0 ATOMO 124 CB CYS A 10 1. 186 -0. 166 0 .814 1 .00 0. 00 c ATOMO 125 SG CYS A 10 1. 045 0. 802 -0 .724 1 .00 0. 00 S ATOMO 126 H CYS A 10 0. 590 2. 549 1 .440 1 .00 0. 00 H ATOMO 127 HA CYS A 10 1. 100 0. 074 2 .941 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 2. 045 -0. 813 0 .716 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 300 -0. 771 0 .906 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 711 0. 223 2 .208 1 .00 0. 00 N ATOMO 131 CA SER A 11 5. 126 0. 547 2 .324 1 .00 0. 00 c ATOMO 132 C SER A 11 5. 965 -0. 345 1 .413 1 .00 0. 00 c ATOMO 133 O SER A 11 5. 736 -1. 551 1 .327 1 .00 0. 00 0 ATOMO 134 CB SER A 11 5. 587 0. 393 3 .773 1 .00 0. 00 c ATOMO 135 OG SER A 11 4. 517 0. 610 4 .675 1 .00 0. 00 o ATOMO 136 H SER A 11 3. 439 -0. 711 2 .129 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 258 1. 574 2 .021 1 .00 0. 00 H ATOMO 138 1HB SER A 11 5. 969 -0. 607 3 .922 1 .00 0. 00 H ATOMO 139 2HB SER A 11 6. 367 1. 110 3 .978 1 .00 0. 00 H ATOMO 140 HG SER A 11 4. 699 1. 388 5 .207 1 .00 0. 00 H ATOMO 141 N LEU A 12 6. 938 0. 258 0 .738 1 .00 0. 00 N ATOMO 142 CA LEU A 12 7. 816 -0. 480 -0 .166 1 .00 0. 00 c ATOMO 143 C LEU A 12 8. 528 -1. 628 0 .551 1 .00 0. 00 c ATOMO 144 O LEU A 12 8. 979 -2. 579 -0 .086 1 .00 0. 00 0 ATOMO 145 CB LEU A 12 8. 848 0. 463 -0 .793 1 .00 0. 00 c ATOMO 146 CG LEU A 12 9. 659 1. 298 0 .202 1 .00 0. 00 c ATOMO 147 CDl LEU A 12 10. 674 0. 429 0 .927 1 .00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 350 2. 449 -0 .515 1 .00 0. 00 c ATOMO 149 H LEU A 12 7. 070 1. 222 0 .851 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7. 202 -0. 893 -0 .952 1 .00 0. 00 H ATOMO 151 1HB LEU A 12 9. 536 -0. 131 -1 .377 1 .00 0. 00 H ATOMO 152 2HB LEU A 12 8. 330 1. 138 -1 .457 1 .00 0. 00 H ATOMO 153 HG LEU A 12 8. 991 1. 717 0 .939 1 .00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 587 0. 987 1 .076 1 .00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 882 -0. 451 0 .338 1 .00 0. 00 H ATOMO 156 3HD1 LEU A 12 10. 274 0. 134 1 .886 1 .00 0. 00 H ATOMO 157 1HD2 LEU A 12 10. 845 2. 077 -1 .400 1 .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 079 2. 897 0 .143 1 .00 0. 00 H ATOMO 159 3HD2 LEU A 12 9. 617 3. 190 -0 .798 1 .00 0. 00 H ATOMO 160 N ASN A 13 8. 627 -1. 537 1 .876 1 .00 0. 00 N ATOMO 161 CA ASN A 13 9. 284 -2. 573 2 .663 1 .00 0. 00 c ATOMO 162 C ASN A 13 8. 274 -3. 486 3 .362 1 .00 0. 00 c ATOMO 163 0 ASN A 13 8. 658 -4. 471 3 .993 1 .00 0. 00 0 ATOMO 164 CB ASN A 13 10. 211 -1. 937 3 .702 1 .00 0. 00 c ATOMO 165 CG ASN A 13 9. 480 -0. 971 4 .614 1 .00 0. 00 c ATOMO 166 ODl ASN A 13 9. 545 0. 244 4 .429 1 .00 0. 00 o ATOMO 167 ND2 ASN A 13 8. 779 -1. 507 5 .606 1 .00 0. 00 N ATOMO 168 H ASN A 13 8. 251 -0. 761 2 .335 1 .00 0. 00. H ATOMO 169 HA ASN A 13 9. 878 -3. 168 1 .988 1 .00 0. 00 H ATOMO 170 1HB ASN A 13 10. 647 -2. 716 4 .311 1 .00 0. 00 H ATOMO 171 2HB ASN A 13 10. 997 -1. 400 3 .193 1 .00 0. 00 H ATOMO 172 1HD2 ASN A 13 8. 772 -2. 484 5 .693 1 .00 0. 00 H ATOMO 173 2HD2 ASN A 13 8. 297 -0. 906 6 .211 1 .00 0. 00 H ATOMO 174 N THR A 14 6. 983 -3. 166 3 .254 1 .00 0. 00 N ATOMO 175 CA THR A 14 5. 949 -3. 970 3 .880 1 .00 0. 00 c ATOMO 176 C THR A 14 5. 381 -4. 985 2 .895 1, .00 0. 00 c ATOMO 177 o THR A 14 5. 826 -5. 073 1, .751 1 .00 0. 00 o ATOMO 178 CB THR A 14 4. 829 -3. 071 4, .411 1 .00 0. 00 c ATOMO 179 0G1 THR A 14 4.409 -2.153 3..417 1.00 0.00 0 ATOMO 180 CG2 THR A 14 5 .230 -2 .273 5. ,633 1 .00 0 .00 C ATOMO 181 H THR A 14 6 .720 -2 .377 2. ,743 1 .00 0 .00 H ATOMO 182 HA THR A 14 6 .398 -4 .497 4. ,708 1 .00 0 .00 H ATOMO 183 HB . THR A 14 3 .983 -3 .688 4. ,682 1 .00 0 .00 H ATOMO 184 HG1 THR A 14 3 .994 -2 .631 2. ,695 1 .00 0 .00 H ATOMO 185 1HG2 THR A 14 5 .139 -2 .892 6. ,513 1 .00 0 .00 H ATOMO 186 2HG2 THR A 14 4 .584 -1 .414 5. .729 1 .00 0 .00 H ATOMO 187 3HG2 THR A 14 6 .253 -1 .945 5. .528 1 .00 0 .00 H ATOMO 188 N GLN A 15 4 .398 -5 .749 3. .351 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3 .762 -6 .761 2. .520 1 .00 0 .00 c ATOMO 190 C GLN A 15 3 .022 -6 .119 1. .345 1 .00 0 .00 c ATOMO 191 0 GLN A 15 2 .625 -4 .956 1. ,419 1 .00 0 .00 0 ATOMO 192 CB GLN A 15 2 .790 -7 .589 3. ,361 1 .00 0 .00 c ATOMO 193 CG GLN A 15 3 .412 -8 .154 4. .628 1 .00 0 .00 c ATOMO 194 CD GLN A 15 4 .643 -8 .994 4. .349 1 .00 0 .00 c ATOMO 195 OE1 GLN A 15 5 .664 -8 .486 3/886 1 .00 0 .00 o ATOMO 196 NE2 GLN A 15 4 .552 -10 .289 4. .629 1.00 0 .00 N ATOMO 197 H GLN A 15 4 .091 -5 .629 4. ,271 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4 .535 -7 .409 2. ,135 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 1 .955 -6 .965 3. ,642 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2 .429 -8 .411 2, ,765 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 3 .693 -7 .335 5. ,272 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2 .680 -8 .770 5. ,129 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 3 .706 -10 .625 4. ,995 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 5 .332 -10 .856 4. ,459 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .820 -6 .865 0. 239 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .118 -6 .344 -0. 940 1 .00 0. .00 c ATOMO 207 C PRO A 16 0 .673 -5 .978 -0. 628 1 .00 0, .00 c ATOMO 208 O PRO A 16 0 .226 -6 .100 0. 512 1 .00 0, .00 0 ATOMO 209 CB PRO A 16 2 .175 -7 .501 -1. 945 1 .00 0, .00 c ATOMO 210 CG PRO A 16 2 .419 -8 .718 -1. 120 1 .00 0, .00 c ATOMO 211 CD PRO A 16 3 .249 -8 .264 0. 047 1 .00 0, .00 c ATOMO 212 HA PRO A 16 2 .625 -5 .482 -1. 350 1 .00 0. .00 H ATOMO 213 1HB PRO A 16 1 .236 -7 .565 -2. 474 1 .00 0, .00 H ATOMO 214 2HB PRO A 16 2 .978 -7 .333 -2. 646 1 .00 0, .00 H ATOMO 215 1HG PRO A 16 1 .480 -9 .124 -0. 777 1 .00 0. .00 H ATOMO 216 2HG PRO A 16 2 .958 -9 .453 -1. 700 1 .00 0, .00 H ATOMO 217 1HD PRO A 16 3 .028 -8 .859 0. 921 1 .00 0, .00 H ATOMO 218 2HD PRO A 16 4 .300 -8 .316 -0. 193 1 .00 0, .00 H ATOMO 219 N CYS A 17 -0, .055 -5 .528 -1. 644 1 .00 0, .00 N ATOMO 220 CA CYS A 17 -1. .451 -5 .145 -1. 468 1 .00 0. .00 c ATOMO 221 C CYS A 17 -2 .375 -6 .346 -1. 635 1 .00 0. ,00 c ATOMO 222 O CYS A 17 -1. .932 -7, .453 -1. 939 1 .00 0. ,00 o ATOMO 223 CB CYS A 17 -1, .836 -4, .047 -2. 460 1 .00 0. ,00 c ATOMO 224 SG CYS A 17 -0, .775 -2 .568 -2. 389 1 .00 0. ,00 S ATOMO 225 H CYS A 17 0, .353 -5, .450 -2. 531 1 .00 0. ,00 H ATOMO 226 HA CYS A 17 -1. .563 -4. .763 -0. 465 1 .00 0. ,00 H ATOMO 227 1HB CYS A 17 -1, .783 -4, .441 -3. 463 1 .00 0. ,00 H ATOMO 228 2HB CYS A 17 -2. .849 -3. .731 -2. 255 1 .00 0. ,00 H ATOMO 229 N CYS A 18 -3. .662 -6. .109 -1. 426 1, .00 0. 00 N ATOMO 230 CA CYS A 18 -4, .673 -7 , .151 -1. 538 1, .00 0. ,00 c ATOMO 231 C CYS A 18 -5. .451 -7. .007 -2. 840 1, .00 0. 00 c ATOMO 232 0 CYS A 18 -5. ,368 -5. .982 -3. 515 1, .00 0. 00 0 ATOMO 233 CB CYS A 18 -5. .632 -7. .080 -0. 347 1. .00 0. 00 c ATOMO 234 SG CYS A 18 -4. .811 -7. .129 1. 280 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3. .940 -5. .204 -1. 181 1 .00 0. ,00 H ATOMO 236 HA CYS A 18 -4.171 -8.107 -1.532 1.,00 0.00 H ATOMO 237 1HB CYS A 18 -6. 191 -6. 158 -0. 402 1. ,00 0 .00 H ATOMO 238 2HB CYS A 18 -6. 319 -7. 911 -0. 394 1. ,00 0 .00 H ATOMO 239 N ASP A 19 -6. 210 -8. 042 -3. 189 1. ,00 0 .00 N ATOMO 240 CA ASP A 19 -7. 007 -8. ,031 -4. 415 1. ,00 0 .00 c ATOMO 241 C ASP A 19 -6. 138 -7. ,730 -5. ,635 1. ,00 0 .00 c ATOMO 242 O ASP A 19 -6. 601 -7. 138 -6. ,609 1. ,00 0 .00 0 ATOMO 243 CB ASP A 19 -8. 130 -6. ,998 -4. 308 1. 00 0 .00 c ATOMO 244 CG ASP A 19 -9. 278 -7. ,479 -3. ,441 1. ,00 0 .00 c ATOMO 245 OD1 ASP A 19 -9. 027 -8. ,282 -2. ,517 1. ,00 0 .00 0 ATOMO 246 OD2 ASP A 19 -10. 425 -7. .053 -3. ,685 1. .00 0 .00 0 ATOMO 247 H ASP A 19 -6. 234 -8. 829 -2. ,610 1. ,00 .0 .00 H ATOMO 24B HA ASP A 19 -7. 443 -9. ,011 -4. 533 1. .00 0 .00 H ATOMO 249 1HB ASP A 19 -7. 736 -6. ,090 -3. ,878 1. .00 0 .00 H ATOMO 250 2HB ASP A 19 -8. 512 -6. ,788 -5. 296 1. .00 0 .00 H ATOMO 251 N ASP A 20 -4. 874 -8. ,138 -5. ,567 1. ,00 0 .00 N ATOMO 252 CA ASP A 20 -3. 932 -7. ,914 -6. ,658 1. .00 0 .00 c ATOMO 253 C ASP A 20 -3. 678 -6. ,424 -6. ,863 1. .00 0 .00 c ATOMO 254 O ASP A 20 -3. 515 -5. 961 -7. ,993 1. .00 0 .00 0 ATOMO 255 CB ASP A 20 -4. 449 -8. ,542 -7. ,955 1. ,00 0 .00 c ATOMO 256 CG ASP A 20 -3. 331 -9.. .097 -8. ,815 1. ,00 0 .00 c ATOMO 257 OD1 ASP A 20 -2. 377 -8. .345 -9. .109 1. ,00 0 .00 o ATOMO 258 OD2 ASP A 20 -3. 407 -10. .284 -9. ,195 1. ,00 0 .00 0 ATOMO 259 H ASP A 20 -4. 566 -8. .602 -4. ,761 1. ,00 0 .00 H ATOMO 260 HA ASP A 20 -3. 000 -8. .386 -6. ,389 1. 00 0 .00 H ATOMO 261 1HB ASP A 20 -5. 126 -9. .347 -7. ,713 1. ,00 0 .00 H ATOMO 262 2HB ASP A 20 -4. 978 -7. ,792 -8. 525 1. ,00 0 .00 H ATOMO 263 N ALA A 21 -3. 637 -5. .678 -5. 765 1. 00 0 .00 N ATOMO 264 CA ALA A 21 -3. 394 -4. 242 -5. 826 1. ,00 0 .00 c ATOMO 265 C ALA A 21 -1. 906 -3. .950 -5. 973 1. 00 0 .00 c ATOMO 266 O ALA A 21 -1. 079 -4. 862 -5. 960 1. 00 0 .00 0 ATOMO 267 CB ALA A 21 -3. 944 -3. ,549 -4. 586 1. 00 0 .00 c ATOMO 268 H ALA A 21 -3. 768 -6. 106 - . 892 1. 00 0 .00 H ATOMO 269 HA ALA A 21 -3. 914 -3. 852 -6. 689 1. 00 0 .00 H ATOMO 270 1HB ALA A 21 -3. 992 -4. 255 -3. 773 1. 00 0 .00 H ATOMO 271 2HB ALA A 21 -4. 934 -3. 170 -4. 794 1. 00 0 .00 H ATOMO 272 3HB ALA A 21 -3. 295 -2. 728 -4. 312 1. 00 0 .00 H ATOMO 273 N THR A 22 -1. 573 -2. 673 -6. 111 1. 00 0 .00 N ATOMO 274 CA THR A 22 -0. 187 -2. 257 -6. 257 1. 00 0 .00 c ATOMO 275 C THR A 22 0. 096 -1. 021 -5. 410 1. 00 0 .00 c ATOMO 276 O THR A 22 -0. 734 -0. 115 -5. 320 1. 00 0 .00 0 ATOMO 277 CB THR A 22 0. 124 -1. 969 -7. 725 1. 00 0 .00 c ATOMO 278 OG1 THR A 22 -0. 144 -3. 107 -8. 527 i : 00 0 .00 0 ATOMO 279 CG2 THR A 22 1. 561 -1. 568 -7. 963 1. 00 0 .00 c ATOMO 280 H THR A 22 -2. 275 -1. 993 -6. 112 1. 00 0 .00 H ATOMO 281 HA THR A 22 0. 441 -3. 067 -5. 916 1. 00 0, .00 H ATOMO 282 HB THR A 22 -0. 506 -1. 160 -8. 064 1. 00 0. .00 H ATOMO 283 HGl THR A 22 -1. 071 -3. 113 -8. 774 1. 00 0, .00 H ATOMO 284 1HG2 THR A 22 1. 663 -0. 502 -7. 830 1. 00 0, ,00 H ATOMO 285 2HG2 THR A 22 1. 848 -1. 835 -8. 969 1. 00 0. .00 H ATOMO 286 3HG2 THR A 22 2. 198 -2. 082 -7. 258 1. 00 0. .00 H ATOMO 287 N CYS A 23 1. 273 -0. 989 -4. 796 1. 00 0. .00 N ATOMO 288 CA CYS A 23 1. 669 0. 138 -3. 963 1. 00 0. .00 c ATOMO 289 C CYS A 23 2. 168 1. 280 -4. 845 1. 00 0. .00 c ATOMO 290 O CYS A 23 3. 201 1. 160 -5. 504 1. 00 0. .00 0 ATOMO 291 CB CYS A 23 2. 758 -0. 298 -2. 979 1. 00 0. .00 c ATOMO 292 SG CYS A 23 2. 918 0. 768 -1. 509 1. 00 0. .00 S ATOMO 293 H CYS A 23 1.893 -1.740 -4.909 1.00 0,.00 H ATOMO 294 HA CYS A 23 0. 801 0 .470 -3. 412 1 .00 0 .00 H ATOMO 295 1HB CYS A 23 2. 539 -1 .297 -2. 633 1 .00 0 .00 H ATOMO 296 2HB CYS A 23 3. 711 -0 .301 -3. 487 1 .00 0, .00 H ATOMO 297 N THR A 24 1. 414 2 .377 -4. 877 1 .00 0, .00 N ATOMO 298 CA THR A 24 1. 763 3 .523 -5. 704 1 .00 0 .00 c ATOMO 299 C THR A 24 1. 917 4 .797 -4. 876 1 .00 0 .00 c ATOMO 300 0 THR A 24 1. 350 4 .930 -3. 791 1 .00 0 .00 0 ATOMO 301 CB THR A 24 0. 694 3 .729 -6. 786 1 .00 0 .00 c ATOMO 302 OG1 THR A 24 0. 713 2 .663 -7. 717 1 .00 0 .00 o ATOMO 303 CG2 THR A 24 0. 848 5 .021 -7. 567 1 .00 0 .00 c ATOMO 304 H THR A 24 0. 593 2 .408 -4. 351 1 .00 0 .00 H ATOMO 305 HA THR A 24 2. 704 3 .309 -6. 187 1 .00 0 .00 H ATOMO 306 HB THR A 24 -0. .279 3 .746 -6. 313 1 .00 0 .00 H ATOMO 307 HG1 THR A 24 1. 566 2 .640 -8. 159 1 .00 0 .00 H ATOMO 308 1HG2 THR A 24 0. ,661 5 .860 -6. 910 1 .00 0 .00 H ATOMO 309 2HG2 THR A 24 0. 143 5 .038 -8. 382 1 .00 0 .00 H ATOMO 310 3HG2 THR A 24 1. 854 5 .087 -7. 954 1 .00 0 .00 H ATOMO 311 N GLN A 25 2. 677 5 .734 -5. 429 1 .00 0 .00 N ATOMO 312 CA GLN A 25 2. ,915 7 .019 -4. 798 1 .00 0 .00 c ATOMO 313 C GLN A 25 1. 673 7 .905 -4. 916 1 .00 0 .00 c ATOMO 314 0 GLN A 25 1. 128 8 .086 -6. 004 1 .00 0 .00 o ATOMO 315 CB GLN A 25 4. 119 7 .699 -5. 456 1 .00 0 .00 c ATOMO 316 CG GLN A 25 4. 366 9 .112 -4. 963 1 .00 0 .00 c ATOMO 317 CD GLN A 25 5. 764 9 .608 -5. 279 1 .00 0 .00 c ATOMO 318 OEl GLN A 25 6. 730 9 .249 -4. 606 1 .00 0 .00 o ATOMO 319 NE2 GLN A 25 5. 878 10 .439 -6. 309 1 .00 0 .00 N ATOMO 320 H GLN A 25 3. 078 5 .557 -6. 302 1 .00 0 .00 H ATOMO 321 HA GLN A 25 3. 131 6 .851 -3. 755 1 .00 0 .00 H ATOMO 322 1HB GLN A 25 5. 003 7 .111 -5. 256 1 .00 0 .00 H ATOMO 323 2HB GLN A 25 3. 957 7 .736 -6. 524 1 .00 0 .00 H ATOMO 324 1HG GLN A 25 3. 650 9 .767 -5. 433 1 .00 0 .00 H ATOMO 325 2HG GLN A 25 4. 223 9 .131 -3. 895 1 .00 0 .00 H ATOMO 326 1HE2 GLN A 25 5. 065 10 .682 -6. 799 1 .00 0 .00 H ATOMO 327 2HE2 GLN A 25 6. 769 10 .775 -6. 536 1 .00 0 .00 H ATOMO 328 N GLCJ A 26 1. 239 8 .453 -3. 789 1 .00 0 .00 N ATOMO 329 CA GLU A 26 0. 069 9 .322 -3. 758 1 .00 0 .00 c ATOMO 330 C GLU A 26 0. 229 10 .408 -2. 699 1 .00 0, .00 c ATOMO 331 0 GLU A 26 1. 249 10 .476 -2. 015 1 .00 0, .00 o ATOMO 332 CB GLU A 26 -1. 194 8 .504 -3. 481 1 .00 0, .00 c ATOMO 333 CG GLU A 26 -1. 374 7 .325 -4. 422 1 .00 0. .00 c ATOMO 334 CD GLU A 26 -2. 667 6 .573 -4. 176 1 .00 0, .00 c ATOMO 335 OEl GLU A 26 -3. 607 7 .177 -3. 617 1 .00 0, .00 0 ATOMO 336 0E2 GLU A 26 -2. 740 5 .381 -4. 541 1 .00 0. .00 o ATOMO 337 H GLU A 26 1. 719 8 .271 -2. 956 1 .00 0. .00 H ATOMO 338 HA GLU A 26 -0. 023 9 .791 -4. 726 1 .00 0. .00 H ATOMO 339 1HB GLU A 26 -1. 150 8 .128 -2. 470 1 .00 0. .00 H ATOMO 340 2HB GLU A 26 -2. 054 9 .149 -3. 578 1 .00 0. .00 H ATOMO 341 1HG GLU A 26 -1. 376 7 .690 -5. 439 1 .00 0, ,00 H ATOMO 342 2HG GLU A 26 -0. 546 6 .644 -4. 288 1 .00 0. .00 H ATOMO 343 N ARG A 27 -0. 787 11 .255 -2. 570 1 .00 0. .00 N ATOMO 344 CA ARG A 27 -0. 759 12 .339 -1. 597 1 .00 0. .00 c ATOMO 345 C ARG A 27 -1. 667 12 .028 -0. 410 1 .00 0. .00 c ATOMO 346 0 ARG A 27 -2. 704 11 .384 -0. 563 1 .00 0. ,00 0 ATOMO 347 CB ARG A 27 -1. 195 13 .647 -2. 257 1 .00 0. .00 c ATOMO 348 CG ARG A 27 -0. 402 13 .990 -3. 510 1, .00 0. .00 c ATOMO 349 CD ARG A 27 -0. 093 15 .479 -3. 597 1 .00 0. .00 c ATOMO 350 NE ARG A 27 -0,.787 16.118 -4.714 1,.00 0.00 N ATOMO 351 CZ ARG A 27 -2, .061 16. 513 -4. 676 1, .00 0. 00 c ATOMO 352 NH1 ARG A 27 -2, .791 16. 339 -3. 579 1, .00 0. 00 N ATOMO 353 NH2 ARG A 27 -2, .607 17. 085 -5. 740 1, .00 0. 00 N ATOMO 354 H ARG A 27 -1 .572 11. 151 -3. 144 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0, .255 12. 443 -1. 243 1, .00 0. 00 H ATOMO 356 1HB ARG A 27 -z. .238 13. 572 -2. 526 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .071 14. 449 -1. 548 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0, .528 13. 441 -3. 497 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0, .979 13. 700 -4. 376 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -0 .397 15. 955 -2. 677 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 0 .972 15. 603 -3. 731 1 .00 0. 00 H ATOMO 362 HE ARG A 27 -0 .278 16. 262 -5. 538 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 -2 .390 15. 909 -2. 771 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 -3 .745 16. 639 -3. 562 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 -2 .063 17. 219 -6. 569 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 -3 .560 17. 382 -5. 714 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1 .270 12. 490 0. 772 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2 .053 12. 260 1. 981 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2 .872 13. 496 2. 343 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2 .894 14. 478 1. 600 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1 .136 11. 877 3. 146 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0 .149 12. 974 3. 493 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0 .052 13. 982 2. 795 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0 .592 12. 782 4. 579 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .433 12. 999 0. 832 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -2 .728 11. 442 1. 785 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -1 .738 11. 673 4. 018 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0 .581 10. 990 2. 882 1 .00 0. ,00 H ATOMO 379 1HD2 ASN A 28 0 .462 11. 954 5. 088 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 1 .238 13. 475 4. 827 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3 .548 13. 437 3. 486 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4 .375 14. 544 3. 946 1 .00 0. .00 c ATOMO 383 C GLU A 29 -3 .554 15. 820 4. 110 1 .00 0. 00 c ATOMO 384 O GLU A 29 -4 .073 16. 926 3. 953 1 .00 0. 00 o ATOMO 385 CB GLU A 29 -5 .043 14. 180 5. 273 1 .00 0. ,00 c ATOMO 386 CG GLU A 29 -4 .059 13. 965 6. 410 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -4 .598 13. 035 7. 480 1 .00 0. 00 c ATOMO 388 OE1 GLU A 29 -5 .648 13. 358 8.072 1 .00 0. ,00 o ATOMO 389 OE2 GLU A 29 -3 .969 11. 983 7. 723 1 .00 0. 00 0 ATOMO 390 H GLU A 29 -3 .494 12. 627 4. 032 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -5 .142 14. 716 3. 205 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -5 .715 14. 974 5. 552 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5 .610 13. 270 5. 139 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -3 .150 13. 539 6. 009 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -3 .837 14. 920 6. 863 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2 .275 15. 662 4. 431 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1 .388 16. 805 4. 622 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0 .861 17. 324 3. 286 1 .00 0. 00 c ATOMO 399 0 ASN A 30 -0 .564 18. 511 3. 145 1 .00 0. 00 0 ATOMO 400 CB ASN A 30 -0 .218 16. 423 5. 530 1 .00 0. 00 c ATOMO 401 CG ASN A 30 -0 .597 16. 437 6. 997 1 .00 0. 00 c ATOMO 402 OD1 ASN A 30 -1 .649 16. 953 7. 374 1 .00 0. 00 0 ATOMO 403 ND2 ASN A 30 0 .263 15. 869 7. 836 1 .00 0. 00 N ATOMO 404 H ASN A 30 -1 .920 14. 757 4. 547 1 .00 0. 00 H ATOMO 405 HA ASN A 30 -1 .958 17. 589 5. 097 1 .00 0. 00 H ATOMO 406 1HB ASN A 30 0 .120 15. 430 5. 273 1 .00 0. 00 H ATOMO 407 2HB ASN A 30 0.590 17.124 5.378 1.00 0.00 H ATOMO 408 1H02 ASM A 30 1 .082 15. 480 7 .465 1. 00 0. 00 H ATOMO 409 2H02 ASM A 30 0 .043 15. 865 8 .791 1. 00 0. 00 H ATOMO 410 N GLY A 31 -0 .744 16. 429 2 .309 1. 00 0. 00 N ATOMO 411 CA GLY A 31 -0 .248 16. 820 1 .000 1. 00 0. 00 c ATOMO 412 C GLY A 31 1 .126 16. 248 0 .683 1. 00 0. 00 C ATOMO 413 0 GLY A 31 1 .615 16. 392 -0 .437 1. 00 0. 00 0 ATOMO 414 H GLY A 31 -0 .992 15. 497 2 .477 1. 00 0. 00 H ATOMO 415 1HA GLY A 31 -0 .946 16. 479 0 .250 1. 00 0. 00 H ATOMO 416 2HA GLY A 31 -0 .192 17. 898 0 .956 1. 00 0. 00 H ATOMQ 417 N HIS A 32 1 .754 15. 595 1 .662 1. 00 0. 00 N ATOMO 418 CA HIS A 32 3 .073 15. 007 1 .462 1. 00 0. 00 C ATOMO 419 C HIS A 32 2 .968 13. 698 0 .686 1. 00 0. 00 C ATOMO 420 0 HIS A 32 1 .916 13. 058 0 .669 .1. 00 0. 00 0 ATOMO 421 CB HIS A 32 3 .756 14. 762 2 .809 1. 00 0. 00 c ATOMO 422 CG HIS A 32 5 .233 14. 541 2 .699 1. 00 0. 00 C ATOMO 423 ND1 HIS A 32 6 .148 15. 572 2 .660 1. 00 0. 00 N ATOMO 424 CD2 HIS A 32 5 .954 13. 398 2 .621 1. 00 0. 00 C ATOMO 425 CE1 HIS A 32 7 .367 15. 073 2 .561 1. 00 0. ,00 C ATOMO 426 NE2 HIS A 32 7 .277 13. 756 2 .537 1. 00 0. ,00 N ATOMO 427 H HIS A 32 1 .323 15. 504 2 .536 1. 00 0. ,00 H ATOMO 428 HA HIS A 32 3 .664 15.704 0 .889 1. 00 0, ,00 H ATOMO 429 1HB HIS A 32 3 .595 15. 618 3 .446 1. 00 0. .00 H ATOMO 430 2HB HIS A 32 3 .321 13. 887 3 .271 1. 00 0. ,00 H ATOMO 431 HD1 HIS A 32 5 .935 16. 528 2 .698 1. 00 0. ,00 H ATOMO 432 HD2 HIS A 32 5 .562 12. .390 2 .624 1. 00 0. ,00 H ATOMO 433 HE1 HIS A 32 8 .282 15. 645 2 .512 1. 00 0. ,00 H ATOMO 434 HE2 HIS A 32 8 .025 13. 141 2 .385 1. 00 0. ,00 H ATOMO 435 N THR A 33 4 .062 13. 307 0 .043 1. 00 0. 00 N ATOMO 436 CA THR A 33 4 .086 12. 076 -0 .736 1. 00 0. 00 C ATOMO 437 C THR A 33 3 .971 10. 853 0 .167 1. 00 0. 00 C ATOMO 438 0 THR A 33 4 .532 10. 819 1 .262 1. 00 0. 00 0 ATOMO 439 CB THR A 33 5 .369 11. 989 -1 .564 1. 00 0. 00 c ATOMO 440 OG1 THR A 33 5 .514 13. 132 -2 .388 1. 00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .419 10. ,768 -2 .457 1. 00 0. ,00 c ATOMO 442 H THR A 33 4 .869 13. 860 0 .091 1. 00 0. 00 H ATOMO 443 HA THR A 33 3 .240 12. 093 -1 .406 1. 00 0. 00 H ATOMO 444 HB THR A 33 6 .216 11. 943 -0 .894 1. 00 0. 00 H ATOMO 445 HG1 THR A 33 4 .688 13. 302 -2 .847 1. 00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .447 10. 523 -2 .680 1. 00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .892 10. 972 -3 .378 1. 00 0. 00 H ATOMO 448 3HG2 THR A 33 4 .953 9. 933 -1 .954 1. 00 0. 00 H ATOMO 449 N VAL A 34 3 .240 9. 853 -0 .307 1. 00 0. 00 N ATOMO 450 CA VAL A 34 3 .041 8. 619 0 .442 1. 00 0. 00 c ATOMO 451 C VAL A 34 2 .793 7. 455 -0 .505 1. 00 0. 00 c ATOMO 452 O VAL A 34 2 .683 7. 643 -1 .714 1. 00 0. 00 o ATOMO 453 CB VAL A 34 1 .855 8. 736 1 .419 1. 00 0. 00 c ATOMO 454 CG1 VAL A 34 2 .157 9. 755 2 .507 1. 00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .582 9. 102 0 .673 1. 00 0. 00 c ATOMO 456 H VAL A 34 2 .821 9. 946 -1 .188 1. 00 0. 00 H ATOMO 457 HA VAL A 34 3 .936 8. 420 1 .012 1. 00 0. 00 H ATOMO 458 HB VAL A 34 1 .708 7. 774 1 .889 1. 00 0. 00 H ATOMO 459 1HG1 VAL A 34 2 .038 10. 752 2 .109 1. 00 0. 00 H ATOMO 460 2HG1 VAL A 34 3 .172 9. 624 2 .853 1. 00 0. 00 H ATOMO 461 3HG1 VAL A 34 1 .474 9. 614 3 .332 1. 00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .550 10. 170 0 .518 1. 00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .277 8. 796 1 .253 1. 00 0. 00 H ATOMO 464 3HG2 VAL A 34 0.567 8.600 -0.283 1.00 0.00 H ATOMO 465 N TYR A 35 2 .709 6. 255 0 .048 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .473 5. 059 -0 .758 1 .00 0. 00 c ATOMO 467 C TYR A 35 1 .128 4. 432 -0 .407 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0 .863 4. 126 0 .756 1 .00 0. 00 o ATOMO 469 CB TYR A 35 3 .600 4. 044 -0 .551 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4 .980 4. 661 -0 .494 1 .00 0. 00 c ATOMO 471 CDl TYR A 35 5 .519 5. 311 -1 .597 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5 .745 4. 593 0 .665 1 .00 0. 00 c ATOMO 473 CEl TYR A 35 6 .778 5. 876 -1 .548 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 7 .006 5. 156 0 .721 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7 .518 5. 796 -0 .388 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8 .773 6. 357 -0 .335 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2 .808 6. 169 1 .017 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2 .456 5. 358 -1 .796 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3 .434 3. 515 0 .375 1 .00 0. ,00 H ATOMO 480 2HB TYR A 35 3 .588 3. ,339 -1 .369 1 .00 0. ,00 H ATOMO 481 HDl TYR A 35 4 .937 5. 372 -2 .505 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 5 .341 4. 090 1 .531 1 .00 0. 00 H ATOMO 483 HEl TYR A 35 7 .179 6. 377 -2 .417 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7 .585 5. 092 1 .631 1 .00 0. 00 H ATOMO 485 HH TYR A 35 9 .436 5. 667 -0 .410 1 .00 0. 00 H ATOMO 486 N TYR A 36 0 .277 4. 253 -1.414 1 .00 0. ,00 N ATOMO 487 CA TYR A 36 -1 .044 3. 671 -1 .199 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1 .276 2. 459 -2 .098 1 .00 0. 00 c ATOMO 489 O TYR A 36 -0 .539 2. 230 -3 .056 1 .00 0. 00 0 ATOMO 490 CB TYR A 36 -2 .130 4. 721 -1 .448 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2 .582 5. 434 -0 .194 1 .00 0. 00 c ATOMO 492 CDl TYR A 36 -1 .697 6. 213 0 .541 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -3 .892 5. 327 0 .256 1 .00 0. 00 c ATOMO 494 CEl TYR A 36 -2 .104 6. 865 1 .688 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .307 5. 976 1 .402 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3 .410 6. 744 2 .115 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -3 .820 7. 392 3 .258 1 .00 0. 00 o ATOMO 498 H TYR A 36 0 .540 4. 524 -2 .320 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1 .102 3. 350 -0 .171 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -1 .751 5. 464 -2 .133 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -2 .994 4. 241 -1 .888 1 .00 0. 00 H ATOMO 502 HDl TYR A 36 -0 .675 6. 306 0 .204 1 .00 0. 00 H ATOMO 503 HD2 TYR A 36 -4 .592 4. 725 -0 .304 1 .00 0. 00 H ATOMO 504 HEl TYR A 36 -1 .402 7. 466 2 .246 1 .00 0. 00. H ATOMO 505 HE2 TYR A 36 -5 .330 5. 881 1 .736 1 .00 0. 00 H ATOMO 506 HH TYR A 36 -4 .625 7. 882 3 .076 1 .00 0. 00 H ATOMO 507 N CYS A 37 -2 .306 1. 686 -1. .773 1 .00 0. 00 N ATOMO 508 CA CYS A 37 -2 .646 0. 488 -2 .539 1 .00 0. 00 c ATOMO. 509 C CYS A 37 -3 .810 0. 757 -3 .485 1 .00 0. 00 c ATOMO 510 O CYS A 37 -4 .813 1. 358 -3 .100 1 .00 0. 00 0 ATOMO 511 CB CYS A 37 -3 .004 -0. 661 -1 .594 1 .00 0. 00 c ATOMO 512 SG CYS A 37 -1 .556 -1. 483 -0, .859 1 .00 0. 00 s ATOMO 513 H CYS A 37 -2 .847 1. 924 -0. .990 1 .00 0. 00 H ATOMO 514 HA CYS A 37 -1 .783 0. 206 -3. .123 1 .00 0. 00 H ATOMO 515 1HB CYS A 37 -3 .615 -0. 282 -0. .788 1 .00 0. 00 H ATOMO 516 2HB CYS A 37 -3 .562 -1. 406 -2. .135 1, .00 0. 00 H ATOMO 517 N ARG A 38 -3 .665 0. 310 -4. .730 1, .00 0. 00 N ATOMO 518 CA ARG A 38 - .697 0. 502 -5. ,737 1. .00 0. 00 c ATOMO 519 C ARG A 38 -5 .010 -0. 809 -6. .447 1. .00 0. 00 c ATOMO 520 O ARG A 38 -4 .113 -1. 490 -6, .945 1 .00 0. 00 0 ATOMO 521 CB ARG A 38 -4.257 1.553 -6.756 1.00 0.00 C ATOMO 522 CG ARG A 38 -3 .924 2 .898 -6 .133 1 .00 0 .00 C ATOMO 523 CD ARG A 38 -5 .173 3 .599 -5 .625 1 .00 0 .00 C ATOMO 524 ME ARG A 38 -5 .054 5 .055 -5 .706 1 .00 0 .00 N ATOMO 525 CZ ARG A 38 -5 .941 5 .907 -5 .194 1 .00 0 .00 c ATOMO 526 NH1 ARG A 38 -7 .020 5 .461 -4 .558 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -5 .749 7 .214 -5 .317 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .841 -0 .159 -4 .975 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .589 0 .848 -5 .237 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .380 1 .193 -7 .272 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .051 1 .700 -7 .472 1 .00 p .00 H ATOMO 532 1HG ARG A 38 -3 .249 2 .743 -5 .305 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .449 3 .521 -6 .876 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .015 3 .282 -6 .222 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .336 3 .317 -4 .596 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4 .268 5 .41.7 -6 .168 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .174 4 .479 -4 .460 1 .00 0. .00 H ATOMO 538 2HH1 ARG A 38 -7 .678 6 .111 -4 .178 1 .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -4 .938 7 .556 -5 .793 1 .00 0 .00 H ATOMO 540 2HH2 ARG A 38 -6 .412 7 .855 -4 .934 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6 .289 -1 .156 -6 .489 1 .00 0 .00 N ATOMO 542 CA ALA A 39 -6 .728 -2 .385 -7 .137 1 .00 0 .00 c ATOMO 543 C ALA A 39 -6 .607 -2 .278 -8 .653 1 .00 0 .00 c ATOMO 544 O ALA A 39 -7 .172 -3 .144 -9 .353 1 .00 0 .00 0 ATOMO 545 CB ALA A 39 -8 .161 -2 .707 -6 .740 1 .00 0 .00 c ATOMO 546 OXT ALA A 39 -5 .948 -1 .329 -9 .128 1 .00 0 .00 0 ATOMO 547 H ALA A 39 -6, .954 -0 .568 -6 .073 1 .00 0, .00 H ATOMO 548 HA ALA A 39 -6, .094 -3 .188 -6 .790 1 .00 0, .00 H ATOMO 549 1HB ALA A 39 -8 .159 -3 .364 -5 .883 1 .00 0, .00 H ATOMO 550 2HB ALA A 39 -8. .662 -3 .194 -7, .564 1 .00 0. .00 H ATOMO 551 3HB ALA A 39 -8, .681 -1 .793 -6 .492 1 .00 0, ,00 H TER 552 ALA A 39 ENDMDL MODELO 4 ATOMO 1 N GLY A 1 -1. .926 -16, .060 5. .156 1, .00 0. .00 N ATOMO 2 CA GLY A 1 -1. .409 -14. .975 4 , .277 1, .00 0. .00 c ATOMO 3 C GLY A 1 -1. .703 -13. .593 4. ,825 1, .00 0. .00 c ATOMO 4 O GLY A 1 -2. .586 -13. .428 5. .668 1. .00 0. ,00 o ATOMO 5 1H GLY A 1 -1. .477 -16. .007 6. ,092 1. ,00 0. ,00 H ATOMO 6 2H GLY A 1 -1. .720 -16. .990 4. .738 1. .00 0. ,00 H ATOMO 7 3H GLY A 1 -2. .956 -15. .967 5. ,272 1. .00 0. ,00 H ATOMO 8 1HA GLY A 1 -0. .341 -15. .090 4. ,172 1. .00 0. 00 H ATOMO 9 2HA GLY A 1 -1 . .867 -15. .069 3. ,302 1. .00 0. ,00 H ATOMO 10 N SER A 2 -0. 962 -12. .599 4. 349 1. .00 0. 00 N ATOMO 11 CA SER A 2 -1 . 147 -11. .224 4. 798 1. .00 0. 00 c ATOMO 12 C SER A 2 -0. 843 -10. ,239 3. 674 1. .00 0. 00 c ATOMO 13 o SER A 2 0. 152 -10. ,380 2. 962 1. ,00 0. 00 o ATOMO 14 CB SER A 2 -0. 250 -10. ,934 6. 003 1. ,00 0. 00 c ATOMO 15 OG SER A 2 -0. 890 -10. 058 6. 916 1. 00 0. 00 0 ATOMO 16 H SER A 2 -0. 273 -12. 795 3. 679 1. ,00 0. 00 H ATOMO 17 HA SER A 2 -2. 179 -11. 108 5. 093 1. ,00 0. 00 H ATOMO 18 1HB SER A 2 -0. 023 -11. 858 6. 511 1. ,00 0. 00 H ATOMO 19 2HB SER A 2 0. 667 -10. 474 5. 664 1. 00 0. 00 H ATOMO 20 HG SER A 2 -1. 730 -10. 436 7. 187 1. 00 0. 00 H ATOMO 21 N CYS A 3 -1. 705 -9. 239 3. 521 1. 00 0. 00 N ATOMO 22 CA CYS A 3 -1. 530 -8. 228 2. 487 1. 00 0. 00 c ATOMO 23 C CYS A 3 -2. 168 -6. 910 2. 909 1. 00 0. 00 c ATOMO 24 O CYS A 3 · -2.918 -6.855 3.884 1.00 0.00 0 ATOMO 25 CB CYS A 3 -2.134 -8. 703 1. 162 1 .00 0. 00 c ATOMO 26 SG CYS A 3 -3.914 -9. 091 1. 241 1 .00 0. 00 s ATOMO 27 H CYS A 3 -2.477 -9. 178 4. 121 1 .00 0. 00 H ATOMO 28 HA CYS A 3 -0.470 -8. 074 2. 354 1 .00 0. 00 H ATOMO 29 1HB CYS A 3 -2.002 -7. 932 0. 419 1 .00 0. 00 H ATOMO 30 2HB CYS A 3 -1.617 -9. 596 0. 841 1 .00 0. 00 H ATOMO 31 N VAL A 4 -1.866 -5. 853 2. 167 1 .00 0. 00 N ATOMO 32 CA VAL A 4 -2.404 -4. 536 2. 456 1 .00 0. 00 c ATOMO 33 C VAL A 4 -3.744 -4. 333 1. 742 1 .00 0. 00 c ATOMO 34 0 VAL A 4 -3.849 -4. 5B6 0. 546 1 .00 0. 00 0 ATOMO 35 CB VAL A 4 -1.411 -3. 445 2. 018 1 .00 0. 00 c ATOMO 36 CG1 VAL A 4 -1.967 -2. 055 2. 289 1 .00 0. 00 c ATOMO 37 CG2 VAL A 4 -0.080 -3. 647 2. 722 1 .00 0. 00 c ATOMO 38 H VAL A 4 -1.262 -5. 959 1. 405 1 .00 0. 00 H ATOMO 39 HA VAL A 4 -2.544 -4. 461 3. 521 1 .00 0. 00 H ATOMO 40 HB VAL A 4 -1.249 -3. 542 0. 956 1 .00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1.177 -1. 328 2. 189 1 .00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2.371 -2. 019 3. 287 1 .00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2.749 -1. 839 1. 575 1 .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0.345 -4. 593 2. 420 1 .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0.235 -3. 648 3. 790 1 .00 0.00 H ATOMO 46 3HG2 VAL A 4 0.593 -2. 847 2. 455 1 .00 0. 00 H ATOMO 47 N PRO A 5 -4.791 -3. 867 2. 450 1 .00 0. 00 N ATOMO 48 CA PRO A 5 -6.099 -3. 645 1. 834 1 .00 0. 00 c ATOMO 49 C PRO A 5 -6.063 -2. 512 0. 813 1 .00 0. 00 c ATOMO 50 0 PRO A 5 -5.465 -1. 456 1. 051 1 .00 0. 00 0 ATOMO 51 CB PRO A 5 -7.015 -3. 278 3. 012 1 .00 0. 00 c ATOMO 52 CG PRO A 5 -6.247 -3. 629 4. 243 1 .00 0. 00 c ATOMO 53 CD PRO A 5 -4.796 -3. 514 3. 878 1 .00 0. 00 c ATOMO 54 HA PRO A 5 -6.466 -4. 545 1. 354 1 .00 0. 00 H ATOMO 55 1HB PRO A 5 -7.243 -2. 224 2. 979 1 .00 0. 00 H ATOMO 56 2HB PRO A 5 -7.930 -3. 848 2. 946 1 .00 0. 00 H ATOMO 57 1HG PRO A 5 -6.489 -2. 937 5. 036 1 .00 0. 00 H ATOMO 58 2HG PRO A 5 -6.477 -4. 640 4. 544 1 .00 0. 00 H ATOMO 59 1HD PRO A 5 -4.444 -2. 503 4. 029 1 .00 0. 00 H ATOMO 60 2HD PRO A 5 -4.206 -4. 210 4. 452 1 .00 0. 00 H ATOMO 61 N VAL A 6 -6.718 -2. 724 -0. 325 1 .00 0. 00 N ATOMO 62 CA VAL A 6 -6.763 -1. 718 -1. 366 1 .00 0. 00 c ATOMO 63 C VAL A 6 -7.372 -0. 438 -0. 827 1 .00 0. 00 c ATOMO 4 O VAL A 6 -8.185 -0. 467 0. 095 1 .00 0. 00 0 ATOMO 65 CB VAL A 6 -7.551 -2. 217 -2. 591 1 .00 0. 00 c ATOMO 66 CG1 VAL A 6 -7.620 -1. 151 -3. 673 1 .00 0. 00 c ATOMO 67 CG2 VAL A 6 -6.909 -3. 480 -3. 132 1 .00 0. 00 c ATOMO 68 H VAL A 6 -7.187 -3. 567 -0. 460 1 .00 0. 00 H ATOMO 69 HA VAL A 6 -5.746 -1. 517 -1. 676 1 .00 0. 00 H ATOMO 70 HB VAL A 6 -8.557 -2. 453 -2. 280 1 .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8.087 -0. 264 -3. 272 1 .00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8.201 -1. 521 -4. 505 1 .00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6.621 -0. 915 -4. 007 1 .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5.845 -3. 448 -2. 944 1 .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7.085 -3. 548 -4. 193 1 .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7.334 -4. 339 -2. 637 1 .00 0. 00 H ATOMO 77 N ASP A 7 -6.937 0. 684 -1. 381 1 .00 0. 00 N ATOMO 78 CA ASP A 7 -7.387 1. 992 -0. 947 1 .00 0. 00 c ATOMO 79 C ASP A 7 -6.763 2. 360 0. 402 1 .00 0. 00 c ATOMO 80 O ASP A 7 -7.096 3. 398 0. 976 1 .00 0. 00 0 ATOMO 81 CB ASP A 7 -8.913 2.051 -0.866 1.00 0.00 c ATOMO 82 CG ASP A 7 -9. 581 1. 540 -2 .127 1 .00 0. 00 C ATOMO 83 0D1 ASP A 7 -9. 539 2. 253 -3 .152 1 .00 0. 00 0 ATOMO 84 OD2 ASP A 7 -10. 144 0. 426 -2 .091 1 .00 0. 00 o ATOMO 85 H ASP A 7 -6. 268 0. 633 -2 .082 1 .00 0. 00 H ATOMO 86 HA ASP A 7 -7. 052 2. 709 -1 .682 1 .00 0. 00 H ATOMO 87 1HB ASP A 7 -9. 246 1. 449 -0 .035 1 .00 0. 00 H ATOMO 88 2HB ASP A 7 -9. 212 3. 071 -0 .711 1 .00 0. 00 H ATOMO 89 N GLN A 8 -5. 843 1. 521 0 .908 1 .00 0. 00 N ATOMO 90 CA GLN A 8 -5. 187 1. 801 2 .174 1 .00 0. 00 c ATOMO 91 C GLN A 8 -3. 693 2. 031 1 .954 1 .00 0. 00 c ATOMO 92 0 GLN A 8 -3. 131 1. 564 0 .964 1 .00 0. 00 0 ATOMO 93 CB GLN A 8 -5. 405 0. 657 3 .164 1 .00 0. 00 c ATOMO 94 CG GLN A 8 -6. 856 0. 222 3 .278 1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7. 783 1. 371 3 .622 1 .00 0. 00 c ATOMO 96 OEl GLN A 8 -8. 272 2. 076 2 .739 1 .00 0. 00 o ATOMO 97 NE2 GLN A 8 -8. 031 1. 567 4 .912 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5. 592 0. 706 0 .419 1 .00 0. 00 H ATOMO 99 HA GLN A 8 -5. 621 2. 702 2 .573 1 .00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 819 -0. 193 2 .849 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -5. 068 0. 973 4 .140 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 167 -0. 201 2 .336 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 933 -0. 527 4 .052 1 .00 0. 00 H ATOMO 104 1HE2 GLN A .8 -7. 607 0. 967 5 .561 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8. 627 2. 303 5 .162 1 .00 0. 00 H ATOMO 106 N PRO A 9 -3. 027 2. 768 2 .862 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1. 600 3. 060 2 .728 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0. 716 1. 828 2 .858 1 .00 0. 00 c ATOMO 109 0 PRO A 9 -0. 963 0. 945 3 .679 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1. 311 4. 037 3 .866 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2. 408 3. 827 4 .853 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3. 611 3. 388 4 .067 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1. 391 3. 541 1 .786 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 345 3. 815 4 .298 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 312 5. 041 3 .478 1 .00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 125 3. 060 5 .559 1 .00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 619 4. 750 5 .369 1 .00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 185 2. 670 4 .631 1 .00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 222 4. 237 3 .804 1 .00 0. 00 H ATOMO 120 N CYS A 10 0. 327 1. 797 2 .041 1 .00 0. 00 N ATOMO 121 CA CYS A 10 1. 285 0. 700 2 .046 1 .00 0. 00 c ATOMO 122 C CYS A 10 2. 709 1. 237 2 .120 1 .00 0. 00 c ATOMO 123 O CYS A 10 2. 926 2. 445 2 .201 1 .00 0. 00 o ATOMO 124 CB CYS A 10 1. 119 -0. 163 0 .794 1 .00 0. 00 c ATOMO 125 SG CYS A 10 0. 948 0. 790 -0 .749 1 .00 0. 00 S ATOMO 126 H CYS A 10 0. 462 2. 543 1 .422 1 .00 0. 00 H ATOMO 127 HA CYS A 10 1. 093 0. 095 2 .920 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 1. 980 -0. 804 0 .690 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 237 -0. 773 0 .904 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 675 0. 330 2 .087 1 .00 0. 00 N ATOMO 131 CA SER A 11 5. 082 0. 706 2 .147 1 .00 0. 00 c ATOMO 132 C SER A 11 5. 913 -0. 147 1 .192 1 .00 0. 00 c ATOMO 133 0 SER A 11 5. 501 -1. 241 0 .805 1 .00 0. 00 0 ATOMO 134 CB SER A 11 5. 612 0. 561 3 .576 1 .00 0. 00 c ATOMO 135 OG SER A 11 6. 470 1. 637 3 .914 1 .00 0. 00 o ATOMO 136 H SER A 11 3. 435 -0. 615 2 .020 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 162 1. 740 1 .847 1 .00 0. 00 H ATOMO 138 1HB SER A 11 4.781 0.549 4.265 1.00 0.00 H ATOMO 139 2HB SER A 11 6. 164 -0. 365 3. 661 1 .00 0.00 H ATOMO 140 HG SER A 11 6. 075 2. 464 3. 626 1 .00 0.00 H ATOMO 141 N LEU A 12 7. 082 0. 360 0. 816 1 .00 0.00 N ATOMO 142 CA LEU A 12 7. 967 -0. 361 -0. 095 1 .00 0.00 c ATOMO 143 C LEU A 12 8. 695 -1. 505 0. 613 1 .00 0.00 c ATOMO 144 O LEU A 12 9. 223 -2. 407 -0. ,038 1 .00 0.00 0 ATOMO 145 CB LEU A 12 8. 986 0. 591 -0. ,736 1 .00 0.00 c ATOMO 146 CG LEU A 12 9. 620 1. 624 0. 203 1 .00 0.00 c ATOMO 147 CD1 LEU A 12 10. 236 0. 949 1. ,418 1 .00 0.00 c ATOMO 148 CD2 LEU A 12 10. 668 2. 434 -0. ,542 1 .00 0.00 c ATOMO 149 H LEU A 12 7. 355 1. 235 1. ,158 1 .00 0.00 H ATOMO 150 HA LEU A 12 7. 353 -0. 781 -0. ,877 1 .00 0.00 H ATOMO 151 1HB LEU A 12 9. 778 -0. 005 -1. ,163 1 .00 0.00 H ATOMO 152 2HB LEU A 12 8. 491 1. 123 -1. .535 1 .00 0.00 H ATOMO 153 HG LEU A 12 8. 859 2. 306 0. .548 1 .00 0.00 H ATOMO 154 1HD1 LEU A 12 11. 040 1. 561 1. ,799 1 .00 0.00 H ATOMO 155 2HD1 LEU A 12 10. 622 -0. 019 1. .137 1 .00 0.00 H ATOMO 156 3HD1 LEU A 12 9. 483 0. 829 2. .183 1 .00 0.00 H ATOMO 157 1HD2 LEU A 12 10. 401 2. 493 -1. .586 1 .00 0.00 H ATOMO 158 2HD2 LEU A 12 11. 631 1. 954 -0. .442 1 .00 0.00 H ATOMO 159 3HD2 LEU A 12 10. 716 3. 429 -0. ,125 1 .00 0.00 H ATOMO 160 N ASM A 13 8. 724 -1. 470 1. .946 1 .00 0.00 N ATOMO 161 CA ASN A 13 9. 389 -2. 510 2. ,722 1 .00 0.00 c ATOMO 162 C ASN A 13 8. 387 -3. 380 3. ,487 1 .00 0.00 c ATOMO 163 0 ASN A 13 8. 779 -4. 177 4. 338 1 .00 0.00 o ATOMO 164 CB ASN A 13 10. 382 -1. 881 3. ,702 1 .00 0.00 c ATOMO 165 CG ASN A 13 9. 747 -0. 793 4. ,546 1 .00 0.00 c ATOMO 166 OD1 ASN A 13 8. 782 -1. 036 5. 271 1 .00 0.00 0 ATOMO 167 ND2 ASN A 13 10. 289 0. 416 4. 457 1 .00 0.00 N ATOMO 168 H ASN A 13 8. 290 -0. 734 2. 419 1 .00 0.00 H ATOMO 169 HA ASN A 13 9. 934 -3. 136 2. 032 1 .00 0.00 H ATOMO 170 1HB ASN A 13 10. 762 -2. 647 4. 361 1 .00 0.00 H ATOMO 171 2HB ASN A 13 11. 202 -1. 449 3. 147 1 .00 0.00 H ATOMO 172 1HD2 ASN A 13 11. 056 0. 537 3. 860 1 .00 0.00 H ATOMO 173 2HD2 ASN A 13 9. 899 1. 138 4. 993 1 .00 0.00 H ATOMO 174 N THR A 14 7. 097 -3. 229 3. 187 1 .00 0.00 N ATOMO 175 CA THR A 14 6. 064 -4. 007 3. 857 1 .00 0.00 c ATOMO 176 C THR A 14 5. 449 -5. 028 2. 905 1 .00 0.00 c ATOMO 177 O THR A 14 5. 898 -5. 183 1. 769 1 .00 0.00 o ATOMO 178 CB THR A 14 4. 977 -3. 082 4. 407 1 .00 0.00 c ATOMO 179 0G1 THR A 14 4. 333 -2. 385 3. 355 1 .00 0.00 o ATOMO 180 CG2 THR A 14 5. 505 -2. 053 5. 383 1 .00 0.00 c ATOMO 181 H THR A 14 6. 829 -2. 583 2. 503 1 .00 0.00 H ATOMO 182 HA THR A 14 6. 525 -4. 534 4. 680 1 .00 0.00 H ATOMO 183 HB THR A 14 4. 237 -3. 677 4. 923 1 .00 0.00 H ATOMO 184 HG1 THR A 14 4. 983 -1. 880 2. 860 1 .00 0.00 H ATOMO 185 1HG2 THR A 14 5. 498 -2. 466 6. 381 1 .00 0.00 H ATOMO 186 2HG2 THR A 14 4. 880 -1. 173 5. 353 1 .00 0.00 H ATOMO 187 3HG2 THR A 14 6. 516 -1. 785 5. 112 1 .00 0.00 H ATOMO 188 N GLN A 15 4. 421 -5. 724 3. 377 1, .00 0.00 N ATOMO 189 CA GLN A 15 3. 742 -6. 733 2. 573 1 .00 0.00 c ATOMO 190 C GLN A 15 3. 040 -6. 097 1. 373 1. .00 0.00 c ATOMO 191 0 GLN A 15 2. 687 -4. 918 1. 409 1, .00 0.00 0 ATOMO 192 CB GLN A 15 2. 720 -7. 491 3. 425 1. .00 0.00 c ATOMO 193 CG GLN A 15 3. 210 -7. 829 4. 827 1. .00 0.00 c ATOMO 194 CD GLN A 15 2. 343 -7. 231 5. 922 1. .00 0.00 c ATOMO 195 0E1 GLN A 15 1.298 -6.640 5.652 1.00 0.00 0 ATOMO 196 NE2 GLN A 15 2 .775 -7 .384 7 .167 1 .00 0 .00 N ATOMO 197 H GLN A 15 4 .112 -5 .557 4 .290 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4 .487 -7 .429 2 .216 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 1 .828 -6 .890 3 .510 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2 .472 -8 .414 2 .925 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 3 .214 -8 .901 4 .943 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 4 .216 -7 .453 4 .942 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 3 .617 -7 .866 7 .309 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 2 .236 -7 .009 7 .895 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .815 -6 .870 0 .290 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .139 -6 .360 -0 .908 1 .00 0 .00 c ATOMO 207 C PRO A 16 0 .685 -6 .002 -0 .625 1 .00 0 .00 c ATOMO 208 0 PRO A 16 0 .224 -6 .104 0 .510 1 .00 0 .00 0 ATOMO 209 CB PRO A 16 2 .222 -7 .525 -1 .898 1 .00 0 .00 c ATOMO 210 CG PRO A 16 2 .391 -8 .737 -1 .049 1 .00 0 .00 c ATOMO 211 CD PRO A 16 3 .184 -8 .293 0 .148 1 .00 0 .00 c ATOMO 212 HA PRO A 16 2 .648 -5 .498 -1 .314 1 .00 0 .00 H ATOMO 213 1HB PRO A 16 1 .313 -7 .573 -2 .479 1 .00 0 .00 H ATOMO 214 2HB PRO A 16 3 .068 -7 .384 -2 .554 1 .00 0 .00 H ATOMO 215 1HG PRO A 16 1 .424 -9 .107 -0 .741 1 .00 0 .00 H ATOMO 216 2HG PRO A 16 2 .930 -9 .497 -1 .595 1 .00 0 .00 H ATOMO 217 1HD PRO A 16 2 .896 -8 .857 1 .023 1 .00 0 .00 H ATOMO 218 2HD PRO A 16 4 .243 -8 .399 -0 .040 1 .00 0 .00 H ATOMO 219 CYS A 17 -0 .035 -5 .583 -1 .660 1 .0.0 0 .00 N ATOMO 220 CA CYS A 17 -1 .435 -5 .213 -1 .508 1 .00 0 .00 c ATOMO 221 C CYS A 17 -2 .347 -6 .422 -1 .688 1 .00 0 .00 c ATOMO 222 O CYS A 17 -1 .888 -7 .524 -1 .988 1 .00 0 .00 0 ATOMO 223 CB CYS A 17 -1 .813 -4 .116 -2 .504 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0 .787 -2 .614 -2 .384 1 .00 0 .00 s ATOMO 225 H CYS A 17 0 .384 -5 .521 -2 .542 1 .00 0 .00 H ATOMO 226 HA CYS A 17 -1 .566 -4 .833 -0 .507 1 .00 0 .00 H ATOMO 227 1HB CYS A 17 -1 .717 -4 .500 -3 .507 1 .00 0 .00 H ATOMO 228 2HB CYS. A 17 -2 .839 -3 .825 -2 .331 1 .00 0 .00 H ATOMO 229 N CYS A 18 -3 .639 -6 .202 -1 .490 1 .00 0 .00 N ATOMO 230 CA CYS A 18 -4 .635 -7 .257 -1 .614 1 .00 0 .00 c ATOMO 231 C CYS A 18 -5 .401 - .127 -2 .926 1 .00 0 ,00 c ATOMO 232 O CYS A 18 -5 .332 -6 .098 -3 .597 1 .00 0 .00 o ATOMO 233 CB CYS A 18 -5, .611 -7 .198 -0 .436 1 .00 0 .00 c ATOMO 234 SG CYS A 18 -4 , .814 -7 .271 1 .202 1 .00 0 .00 s ATOMO 235 H CYS A 18 -3 .931 -5 .300 -1 .246 1 .00 0 .00 H ATOMO 236 HA CYS A 18 -4. .121 -8 .206 -1 .600 1 .00 0, .00 H ATOMO 237 1HB CYS A 18 -6. .166 -6 .273 -0 .486 1 .00 0. .00 H ATOMO 238 2HB CYS A 18 -6. .299 -8 .026 -0 .504 ' 1 .00 0. .00 H ATOMO 239 N ASP A 19 -6, .129 -8 .177 -3 .288 1, .00 0. .00 N ATOMO 240 CA ASP A 19 -6, .910 -8, .184 - .523 1, .00 0. .00 c ATOMO 241 C ASP A 19 -6, .033 -7, .863 -5 .732 1. .00 0. .00 c ATOMO 242 O ASP A 19 -6, .497 -7, .284 -6 .714 1, .00 0. .00 0 ATOMO 243 CB ASP A 19 -8. .058 -7. .176 -4, .431 1, .00 0, .00 c ATOMO 244 CG ASP A 19 -9. .185 -7. .663 -3, .541 1. .00 0. .00 c ATOMO 245 OD1 ASP A 19 -9. .642 -8. .808 -3, .734 1. .00 0. .00 o ATOMO 246 OD2 ASP A 19 -9. , 610 -6. .897 -2. .650 1. .00 0. ,00 o ATOMO 247 H ASP A 19 -6. .141 -8. .967 -2 .710 1. .00 0. ,00 H ATOMO 248 HA ASP A 19 -7 , .323 -9. .173 -4, .648 1. .00 0. .00 H ATOMO 249 1HB ASP A 19 -7. 682 -6. .247 -4. .028 1. .00 0. .00 H ATOMO 250 2HB ASP A 19 -8. 454 -7. .000 -5. .420 1. .00 0. ,00 H ATOMO 251 N ASP A 20 -4. 761 -8. .242 -5. .648 1. .00 0. ,00 N ATOMO 252 CA ASP A 20 -3.810 -7.997 -6.728 1.00 0.00 C ATOMO 253 C ASP A 20 -3 .582 -6 .502 -6 .929 1 .00 0.00 C ATOMO 254 O ASP A 20 -3 .410 -6 .037 -8 .056 1 .00 0.00 0 ATOMO 255 CB ASP A 20 -4 .298 -8 .633 -8 .031 1 .00 0.00 C ATOMO 256 CG ASP A 20 -3 .203 -8 .723 -9 .077 1 .00 0.00 c ATOMO 257 0D1 ASP A 20 -3 .314 -8 .035 -10 .114 1 .00 0.00 0 ATOMO 258 0D2 ASP A 20 -2 .235 -9 .480 -8 .858 1 .00 0.00 0 ATOMO 259 H ASP A 20 -4 .452 -8 .698 -4 .837 1 .00 0.00 H ATOMO 260 HA ASP A 20 -2 .872 -8 .451 -6.446 1 .00 0.00 H ATOMO 261 1HB ASP A 20 -4 .656 -9 .631 -7 .827 1 .00 0.00 H ATOMO 262 2HB ASP A 20 - -5 .106 -8 .040 -8 .434 1 .00 0.00 H ATOMO 263 N ALA A 21 -3 .576 -5 .757 -5 .830 1 .00 0.00 N ATOMO 264 CA ALA A 21 -3 .360 -4 .316 -5 .888 1 .00 0.00 c ATOMO 265 C ALA A 21 -1 .878 -3 .994 -6 .028 1 .00 0.00 c ATOMO 266 0 ALA A 21 -1 .034 -4 .889 -6 .017 1 .00 0.00 o ATOMO 267 CB ALA A 21 -3 .933 -3 .637 -4 .650 1 .00 0.00 c ATOMO 268 H ALA A 21 -3 .715 -6 .187 -4 .959 1 .00 0.00 H ATOMO 269 HA ALA A 21 -3 .884 -3 .935 -6 .753 1 .00 0.00 H ATOMO 270 1HB ALA A 21 -3.985 -4 .351 -3 .843 1 .00 0.00 H ATOMO .271 2HB ALA A 21 -4 .922 -3 .265 -4 .867 1 .00 0.00 H ATOMO 272 3HB ALA A 21 -3 .294 -2 .814 -4 .360 1 .00 0.00 H ATOMO 273 N THR A 22 -1 .570 -2 .710 -6 .155 1 .00 0.00 N ATOMO 274 CA THR A 22 -0 .192 -2 .266 -6 .293 1 .00 0.00 c ATOMO 275 C THR A 22 0 .060 -1 .023 -5 .448. 1 .00 0.00 c ATOMO 276 O THR A 22 -0 .788 -0 .132 -5 .367 1 .00 0.00 0 ATOMO 277 CB THR A 22 0 .120 -1 .974 -7, .761 1 .00 0.00 c ATOMO 278 OGl THR A 22 -0 .112 -3 .119 -8, .562 1 .00 0.00 0 ATOMO 279 CG2 THR A 22 1 .549 -1 .536 -7, .992 1 .00 0.00 c ATOMO 280 H THR A 22 -2 .286 -2 .043 -6. .156 1 .00 0.00 H ATOMO 281 HA THR A 22 0 .451 -3, .061 -5. .947 1 .00 0.00 H ATOMO 282 HB THR A 22 -0 .528 -1, ,181 -8. .105 1 .00 0.00 H ATOMO 283 HGl THR A 22 -1 .013 -3. ,423 -8. ,430 1 .00 0.00 H ATOMO 284 1HG2 THR A 22 1 .555 -0. .543 -8. ,419 1 .00 0.00 H ATOMO 285 2HG2 THR A 22 2 .030 -2. .224 -8, ,671 1 .00 0.00 H ATOMO 286 3HG2 THR A 22 2 .079 -1. .526 -7. .051 1 .00 0.00 H ATOMO 287 N CYS A 23 1 .230 -0. .967 -4 , .820 1 .00 0.00 N ATOMO 288 CA CYS A 23 1 .593 0. .170 -3. .984 1 .00 0.00 c ATOMO 289 C CYS A 23 2 .056 1. .329 -4. .865 1 .00 0.00 c ATOMO 290 O CYS A 23 3 .090 1. .242 -5. ,526 1 .00 0.00 0 ATOMO 291 CB CYS A 23 2 .698 -0. ,236 -3. ,004 1 .00 0.00 c ATOMO 292 SG CYS A 23 2 .822 0. .829 -1. 530 1 .00 0.00 S ATOMO 293 H CYS A 23 1. .865 -1. ,706 -4. 924 1, .00 0.00 H ATOMO 294 HA CYS A 23 0, .718 0. ,474 -3. ,431 1 .00 0.00 H ATOMO 295 1HB CYS A 23 2 .513 -1. ,243 -2. .664 1 .00 0.00 H ATOMO 296 2HB CYS A 23 3. .650 -0. ,203 -3. 514 1, .00 0.00 H ATOMO 297 N THR A 24 1, .270 2. 404 -4. 893 1 .00 0.00 N ATOMO 298 CA THR A 24 1, ,586 3. 561 -5. 718 1 .00 0.00 c ATOMO 299 C THR A 24 1. ,760 4. 827 -4. 882 1, .00 0.00 c ATOMO 300 0 THR A 24 1. .226 4. 948 -3. 780 1, .00 0.00 0 ATOMO 301 CB THR A 24 0. .482 3. 773 -6. 764 1, .00 0.00 c ATOMO 302 OGl THR A 24 0. ,465 2. 705 -7. 694 1. .00 0.00 o ATOMO 303 CG2 TH A 24 0. .622 5. 062 -7. 551 1. ,00 0.00 c ATOMO 304 H THR A 24 0. .449 2. 412 -4. 364 1. .00 0.00 H ATOMO 305 HA THR A 24 2. .513 3. 358 -6. 231 1. ,00 0.00 H ATOMO 306 HB THR A 24 -0. .474 3. 796 -6. 260 1. .00 0.00 H ATOMO 307 HGl THR A 24 1. 259 2. 737 -8. 233 1. ,00 0.00 H ATOMO 308 1HG2 THR A 24 0. 545 5. 903 -6. 876 1. 00 0.00 H ATOMO 309 2HG2 THR A 24 -0.160 5.121 -8.291 1.00 0.00 H ATOMO 310 3HG2 THR A 24 1 .586 5 .083 -8 .039 1 .00 0. ,00 H ATOMO 311 N GLN A 25 2 .499 5 .771 -5 .449 1 .00 0. ,00 N ATOMO 312 CA GLN A 25 2 .751 7 .053 -4 .815 1 .00 0.. ,00 c ATOMO 313 C GLN A 25 1 .510 7 .938 -4 .909 1 .00 0. ,00 c ATOMO 314 0 GLN A 25 0 .875 8 .030 -5 .960 1 .00 0. ,00 0 ATOMO 315 CB GLN A 25 3 .948 7 .733 -5 .490 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4 .189 9 .156 -5 .019 1 .00' 0. 00 c ATOMO 317 CD GLN A 25 5 .566 9 .671 -5 .391 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .565 9 .308 -4 .772 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 5 .624 10 .525 -6 .407 1 .00 0. 00 N ATOMO 320 H GLN A 25 2 .873 5 .606 -6 .335 1 .00 0. ,00 H ATOMO 321 HA GLN A 25 2 .983 6 .879 -3 .777 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4 .836 7 .156 -5 .286 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3 .780 7 .754 -6 .557 1 .00 0. ,00 H ATOMO 324 1HG GLN A 25 3 .445 9 .795 -5 .469 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4 .084 9 .183 -3 .946 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 4 .786 10 .770 -6 .854 1 .00 0. ,00 H ATOMO 327 2HE2 GLN A 25 6 .500 10 .874 -6 .669 1 .00 0. 00 H ATOMO 328 N GLU A 26 1 .176 8 .585 -3 .803 1 .00 0. 00 N ATOMO 329 CA GLU A 26 0 .016 9 .465 -3 .747 1 .00 0. 00 c ATOMO 330 C GLU A 26 0 .230 10 .573 -2 .722 1 .00 0. 00 c ATOMO 331 O GLU A 26 1 .291 10 .666 -2 .105 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1 .239 8 .664 -3 .400 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1 .499 7 .503 -4 .347 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2 .812 6 .802 -4 .063 1 .00 0. 00 c ATOMO 335 OE1 GLD A 26 -3 .700 7 .427 -3 .446 1 .00 0. 00 0 ATOMO 336 OE2 GLÜ A 26 -2 .953 5 .624 -4 .458 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1, .726 8 .467 -3 .002 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0 .110 9 .912 -4 .720 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1. .137 8 .270 -2 .399 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2. .093 9 .323 -3 .431 1 .00 0. 00 H . ATOMO 341 1HG GLU A 26 -1, .521 7 .880 -5 .358 1 .00 0. 00 H . ATOMO 342 2HG GLU A 26 -0. .695 6 .789 -4, .246 1 .00 0. 00 H . ATOMO 343 N ARG A 27 -0. .782 11, .414 -2 .548 1 .00 0. 00 N . ATOMO 344 CA ARG A 27 -0, .704 12 .520 -1 .600 1 .00 0. 00 c . ATOMO 345 C ARG A 27 -1. .720 12 .347 -0, .476 1 .00 0. 00 c ATOMO 346 0 ARG A 27 -2. .819 11, .836 -0, .691 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -0. .940 13, .849 -2. .318 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0. .263 14, .332 -3. .113 1 .00 0. 00 c ATOMO 349 CD ARG A 27 0. .405 15, .845 -3. .045 1, .00 0. 00 c ATOMO 350 NÉ ARG A 27 1. ,800 16. .268 -3. .152 1, .00 0. 00 N ATOMO 351 CZ ARG A 27 2. .533 16. .156 -4. .260 1, .00 0. 00 c ATOMO 352 NH1 ARG A 27 2. ,014 15. .633 -5, ,366 1. .00 0. 00 N ATOMO 353 NH2 ARG A 27 3. ,793 16. .570 -4. .263 1. .00 0. 00 N ATOMO 354 H ARG A 27 -1. ,601 11. .290 -3. .072 1, .00 0. 00 H ATOMO 355 HA ARG A 27 0. ,288 12. .523 -1. ,174 1. .00 0. 00 H ATOMO 356 1HB ARG A 27 -1. 771 13. .734 -2. ,998 1, .00 0. 00 H ATOMO 357 2HB ARG A 27 -1. 188 14. ,601 -1. .584 1. .00 0. 00 H ATOMO 358 1HG ARG A 27 1. 154 13. .879 -2. ,708 1. .00 0. 00 H ATOMO 359 2HG ARG A 27 0. 142 14. .037 -4. 145 1. .00 0. 00 H ATOMO 360 1HD ARG A 27 -0. 156 16. .282 -3. ,857 1. .00 0. 00 H ATOMO 361 2HD ARG A 27 0. 005 16. .189 -2. 103 1. .00 0. 00 H ATOMO 362 HE ARG A 27 2. 215 16. ,658 -2. 354 1. ,00 0. 00 H ATOMO 363 1HH1 ARG A 27 1. 065 15. ,317 -5. 373 1. .00 0. 00 H ATOMO 364 2HH1 ARG A 27 2. 572 15. .554 -6. 190 1. .00 0. 00 H ATOMO 365 1HH2 ARG A 27 4. 190 16. ,966 -3. 435 1. ,00 0. 00 H ATOMO 366 2HH2 ARG A 27 4.344 16.,488 -5.093 1.00 0,.00 H ATOMO 367 N ASN A 28 -1 .345 12. ,778 0 .725 1 .00 0, .00 N ATOMO 368 CA ASN A 28 -2 .225 12. .670 1 .883 1 .00 0, .00 c ATOMO 369 C ASN A 28 -2 .868 14. ,015 2 .204 1 .00 0, .00 c ATOMO 370 0 ASN A 28 -2 .680 14. ,994 1 .482 1 .00 0, .00 0 ATOMO 371 CB ASN A 28 -1 .446 12. .157 3 .096 1 .00 0, .00 c ATOMO 372 CG ASN A 28 -0 .344 13. .106 3 .524 1 .00 0, .00 c ATOMO 373 OD1 ASN A 28 -0 .016 14. .057 2 .814 1 .00 0. .00 o ATOMO 374 ND2- ASN A 28 0 .235 12. .852 4 .692 1 .00 0, .00 N ATOMO 375 H ASN A 28 -0 .456 13. .176 0 .835 1 .00 0, .00 H ATOMO 376 HA ASN A 28 -3 .004 11. ,962 1 .641 1 .00 0, .00 H ATOMO 377 1HB ASN A 28 -2 .127 12. .029 3 .925 1 .00 0, .00 H ATOMO 378 2HB ASN A 28 -1 .001 11. ,205 2 .852 1 .00 0 .00 H ATOMO 379 1HD2 ASN A 28 -0 .077 12. .078 5 .205 1 .00 0 .00 H ATOMO 380 2HD2 ASN A 28 0 .951 13. .450 4 .994 1 .00 0, .00 H ATOMO 381 N GLü A 29 -3 .629 14. .056 3 .293 1 .00 0, .00 N ATOMO 382 CA GLU A 29 -4 .299 15. .282 3 .712 1 .00 0 .00 c ATOMO 383 C GLU A 29 -3 .286 16. ,387 3 .990 1 .00 0 .00 c ATOMO 384 0 GLÜ A 29 -3 .569 17, ,568 3 .786 1 .00 0, .00 0 ATOMO 385 CB GLÜ A 29 -5 .146 15, .024 4 .959 1 .00 0 .00 c ATOMO 386 CG GLU A 29 -6 .542 14, .508 4 .649 1 .00 0, .00 c ATOMO 387 CD GLU A 29 -7 .598 15. ,593 4 .739 1 .00 0, .00 c ATOMO 388 OE1 GLU A 29 -7 .598 16, .339 5 .741 1 .00 0, .00 0 ATOMO 389 OE2 GLU A 29 -8 .423. 15, .696 3 .807 1 .00 0, .00 0 ATOMO 390 H GLU A 29 -3 .740 13. 244 3 .829 1 .00 0. .00 H ATOMO 391 HA GLU A 29 -4 .946 15. ,597 2 .906 1 .00 0. ,00 H ATOMO 392 1HB GLU A 29 -4 .644 14. ,295 5 .577 1 .00 0. .00 H ATOMO 393 2HB GLU A 29 -5 .242 15. 947 5 .511 1 .00 0. .00 H ATOMO 394 1HG GLU A 29 -6 .548 14. 103 3 .649' 1 .00 0. .00 H ATOMO 395 2HG GLU A 29 -6 .787 13. 727 5 .354 1 .00 0. .00 H ATOMO 396 N ASN A 30 -2 .106 15. 996 4 .459 1 .00 0. .00 N ATOMO 397 CA ASN A 30 -1 .050 16. 954 4 .765 1, .00 0, .00 c ATOMO 398 C ASN A 30 -0 .390 17. 467 3 .489 1, .00 0. ;oo c ATOMO 399 0 ASN A 30 0 .101 18. 595 3 .445 1 .00. 0. ,00 o ATOMO 400 CB ASN A 30 -0, .000 16. 313 5 .674 1, .00 0. 00 c ATOMO 401 CG ASN A 30 -0, .584 15. 847 6 .994 1, .00 0. ,00 c ATOMO 402 OD1 ASN A 30 -1, .576 16. 395 7 .474 1. .00 0. ,00 o ATOMO 403 ND2 ASN A. 30 0. .030 14. 831 7 .587 1. .00 0. 00 N ATOMO 404 H ASN A 30 -1. .940 15. 040 4 .601 1. .00 0. 00 H ATOMO 405 HA ASN A 30 -1, .501 17. 787 5 .283 1. .00 0. 00 H ATOMO 406 1HB ASN A 30 0, .429 15. 459 5 .171 1. .00 0. 00 H ATOMO 407 2HB ASN A 30 0. .778 17. 033 5, .879 1. .00 0. 00 H ATOMO 408 1HD2 ASN A 30 0, .815 14. 443 7 .146 1. .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0. .326 14. 509 8 .441 1. .00 0. 00 H ATOMO 410 N GLY A 31 -0. .382 16. 636 2 .451 1, ,00 0. 00 N ATOMO 411 CA GLY A 31 0. .221 17. 030 1, .191 1. ,00 0. 00 c ATOMO 412 C GLY A 31 1. ,556 16. 350 0 .923 1. ,00 0. 00 c ATOMO 413 0 GLY A 31 2. ,157 16. 559 -0, .130 1. 00 0. 00 0 ATOMO 41 H GLY A 31 -0. .789 15. 747 2. .541 1. .00 0. 00 H ATOMO 415 IRA GLY A 31 -0. ,459 16. 782 0, .389 1. ,00 0. 00 H ATOMO 416 2HA GLY A 31 0. 371 18. 099 1, .198 1. 00 0. 00 H ATOMO 417 N HIS A 32 2. 027 15. 538 1. .869 1. 00 0. 00 N ATOMO 418 CA HIS A 32 3. 297 14. 840 1. .708 1. 00 0. 00 c ATOMO 419 C HIS A 32 3. 120 13. 585 0. ,861 1. 00 0. 00 c ATOMO 420 0 HIS A 32 2. 042 12. 994 0. .831 1. 00 0. 00 0 ATOMO 421 CB HIS A 32 3. 877 14. 470 3. ,074 1. 00 0. 00 c ATOMO 422 CG HIS A 32 5. 370 14. 368 3. .082 1. 00 0. 00 c ATOMO 423 ND1 HIS A 32 6.,043 13.178 3.269 1.00 0.00 N ATOMO 424 CD2 HIS A 32 6. ,325 15 .316 2 .923 1 .00 0 .00 C ATOMO 425 CE1 HIS A 32 7. ,345 13 .399 3 .226 1 .00 0 .00 C ATOMO 426 NE2 HIS A 32 7. 542 14 .688 3 .016 1 .00 0 .00 N ATOMO 427 H HIS A 32 1. ,514 15 .403 2 .691 1 .00 0 .00 H ATOMO 428 HA HIS A 32 3. ,981 15 .508 1 .205 1 .00 0 .00 H ATOMO 429 1HB HIS A 32 3. 592 15 .223 3 .795 1 .00 0 .00 H ATOMO 430 2HB HIS A 32 3. ,475 13 .515 3 .381 1 .00 0 .00 H ATOMO 431 HD1 HIS A 32 5. •627 12 .303 3 .413 1 .00 0 .00 H ATOMO 432 HD2 HIS A 32 6. ,159 16 .371 2 .755 1 .00 0 .00 H ATOMO 433 HE1 HIS A 32 8. ,118 12 .653 3 .341 1 .00 0 .00 H ATOMO 434 HE2 HIS A 32 8. ,413 15 .107 2 .859 1 .00 0 .00 H ATOMO 435 N THR A 33 4. 184 13 .184 0 .174 1 .00 0 .00 N ATOMO 436 CA THR A 33 4. ,139 11 .999 -0 .672 1 .00 0 .00 c ATOMO 437 C THR A 33 3. ,993 10 .735 0 .168 1 .00 0 .00 c ATOMO 438 O THR A 33 4. ,732 10 .526 1 .131 1 .00 0 .00 0 ATOMO 439 CB THR A 33 5. ,398 11 .905 -1 .537 1 .00 0 .00 c ATOMO 440 OG1 THR A 33 5. 559 13 .078 -2 .314 1 .00 0 .00 0 ATOMO 441 CG2 THR A 33 5. ,385 10 .723 -2 .484 1 .00 0 .00 c ATOMO 442 H THR A 33 5. ,017 13 .697 0 .237 1 .00 0 .00 H ATOMO 443 HA THR A 33 3. 278 12 .086 -1 .317 1 .00 0 .00 H ATOMO 444 HB THR A 33 6. ,259 11 .804 -0 .892 1 .00 0 .00 H ATOMO 445 HG1 THR A 33 6. .194 13 .659 -1 .890 1 .00 0 .00 H ATOMO 446 1HG2 THR A 33 6. 393 10 .513 -2 .811 1 .00 0 .00 H ATOMO 447 2HG2 THR A 33 4. 770 10 .954 -3 .340 1 .00 0 .00 H ATOMO 448 3HG2 THR A 33 4. .984 9 .858 -1 .976 1 .00 0 .00 H ATOMO 449 N VAL A 34 3. 035 9 .896 -0 .205 1 .00 0, .00 N ATOMO 450 CA VAL A 34 2. 786 8 .649 0 .505 1 .00 0 .00 c ATOMO 451 C VAL A 34 2. 566 7 .507 -0 .477 1 .00 0 .00 c ATOMO 452 0 VAL A 34 2. 496 7 .719 -1 .684 1 .00 0, .00 0 ATOMO 453 CB VAL A 34 1. 559 8 .765 1 .428 1 .00 0, .00 c ATOMO 454 CG1 VAL A 34 1. 835 9 .737 2 .564 1 .00 0. .00 c ATOMO 455 CG2 VAL A 34 0. 332 9 .193 0 .637 1 .00 0, .00 c ATOMO 456 H VAL A 34 2. 483 10 .121 -0 .983 1 .00 0, .00 H ATOMO 457 HA VAL A 34 3. 650 8, .427 1 .112 1 .00 0. .00 H ATOMO 458 HB VAL A 34 1. 363 7, .792 1 .856 1 .00 0, .00 H ATOMO 459 1HG1 VAL A 34 2. 360 10, .599 2 .181 1 .00 0, .00 H ATOMO 460 2HG1 VAL A 34 2. 439 9. .252 3 .317 1 .00 0. .00 H ATOMO 461 3HG1 VAL A 34 0. 899 10. .053 3 .003 1 .00 0. .00 H ATOMO 462 1HG2 VAL A 34 0. 511 10. .160 0 .191 1 .00 0. .00 H ATOMO 463 2HG2 VAL A 34 -0. 519 9. .253 1 .298 1 .00 0. .00 H ATOMO 464 3HG2 VAL A 34 0. 135 8. .469 -0 .140 1 .00 0. .00 H ATOMO 465 N TYR A 35 2. 458 6. .295 0, .048 1 .00 0. .00 N ATOMO 466 CA TYR A 35 2. 243 5. .118 -0, .787 1 .00 0. .00 c ATOMO 467 C TYR A 35 0. 925 4. .440 -0 .427 1 .00 0. .00 c ATOMO 468 O TYR A 35 0. 688 4. .109 0, .734 1, .00 0. ,00 0 ATOMO 469 CB TYR A 35 3. 402 4. .130 -0, .629 1 .00 0. ,00 c ATOMO 470 CG TYR A 35 4. 766 4. .786 -0, .608 1 .00 0. ,00 c ATOMO 471 CD1 TYR A 35 5. 275 5. ,413 -1, .738 1, .00 0. ,00 c ATOMO 472 CD2 TYR A 35 5. 544 4. ,778 0. .544 1. .00 0. ,00 c ATOMO 473 CE1 TYR A 35 6. 519 6. 013 -1. .722 1. ,00 0. ,00 c ATOMO 474 CE2 TYR A 35 6. 789 5. 376 0. .567 1, .00 0. 00 c ATOMO 475 CZ TYR A 35 7. 273 5. 992 -0. .568 1. .00 0. ,00 c ATOMO 476 OH TYR A 35 8. 513 6. 587 -0. ,548 1. .00 0. 00 0 ATOMO 477 H TYR A 35 2. 524 6. 189 1. ,021 1. .00 0. 00 H ATOMO 478 HA TYR A 35 2. 196 5. 443 -1. ,816 1. .00 0. 00 H ATOMO 479 1HB TYR A 35 3. 282 3. 588 0. ,295 1. .00 0. 00 H ATOMO 480 2HB TYR A 35 3.,384 3.434 -1,.454 1.00 0.00 H ATOMO 481 HDl TYR A 35 4. .683 5 .429 -2 .641 1 .00 0 .00 H ATOMO 482 HD2 TYR A 35 5. .162 4 .295 1 .431 1 .00 0 .00 H ATOMO 483 HEl TYR A 35 6. .898 6 .496 -2 .612 1 .00 0 .00 H ATOMO 484 HE2 TYR A 35 7. ,379 5 .359 1 .472 1 .00 0 .00 H ATOMO 485 HH TYR A 35 8. .413 7 .538 -0 .640 1 .00 0 .00 H ATOMO 486 N TYR A 36 0. ,065 4 .248 -1 .424 1 .00 0 .00 N ATOMO 487 CA TYR A 36 -1. .234 3 .619 -1 .198 1 .00 0 .00 c ATOMO 488 C TYR A 36 -1. ,424 2 .393 -2 .085 1 .00 0 .00 c ATOMO 489 0 TYR A 36 -0. .677 2 .180 -3 .041 1 .00 0 .00 0 ATOMO 490 CB TYR A 36 -2. .359 4 .624 -1 .453 1 .00 0 .00 c ATOMO 491 CG TYR A 36 -2, .771 5 .398 -0 .221 1 .00 0 .00 c ATOMO 492 CDl TYR A 36 -1. .860 6 .196 0 .458 1 .00 0 .00 c ATOMO 493 CD2 TYR A 36 -4, .071 5 .328 0 .264 1 ;00 0 .00 c ATOMO 494 CEl TYR A 36 -2. .233 6 .904 1 .586 1 .00 0 .00 c ATOMO 495 CE2 TYR A 36 -4. .452 6 .033 1 .389 1 .00 0 .00 c ATOMO 496 CZ TYR. A 36 -3. .530 6 .819 2 .047 1 .00 0 .00 c ATOMO 497 OH TYR A 36 -3, .904 7 .522 3 .169 1 .00 0 .00 o ATOMO 498 H TYR A 36 0. .304 ' 4 .542 -2 .329 1 .00 0 .00 H ATOMO 99 HA TYR A 36 -1, .275 3 .306 -0 .167 1 .00 0 .00 H ATOMO 500 1HB TYR A 36 -2, .033 5 .336 -2 .197 1 .00 0 .00 H ATOMO 501 2HB TYR A 36 -3, .227 4 .098 -1 .822 1 .00 0 .00 H ATOMO 502 HDl TYR A 36 -0. .844 6 .261 0 .094 1 .00 0 .00 H ATOMO 503 HD2 TYR A 36 -4, ,792 4 .712 -0.253 1 .00 0 .00 H ATOMO 504 HEl TYR A 36 -1. ,509 7 .520 2 .100 1 .00 0 .00 H ATOMO 505 HE2 TYR A 36 -5. ,468 5 .966 1 .751 1 .00 0 .00 H ATOMO 506 HH TYR A 36 -3. ,888 8 .462 2 .978 1 .00 0 .00 H ATOMO 507 N CYS A 37 -2. ,431 1 .590 -1, ¦ 756 1 .00 0 .00 N ATOMO 508 CA CYS A 37 -2. ,730 0 .375 -2 .513 1 .00 0 .00 c ATOMO 509 C CYS A 37 -3. 893 0 .606 -3, .472 1 .00 0 .00 c ATOMO 510 O CYS A 37 -4. 922 1 .166 -3, .096 1 .00 0 .00 0 ATOMO 511 CB CYS A 37 -3. 066 -0 .779 -1, .563 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1. 605 -1 .586 -0, .834 1 .00 0 .00 s ATOMO 513 H CYS A 37 -2. 980 1 .817 -0. .976 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1. 854 0 .113 -3. ,087 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3. 678 -0, .407 -0. .753 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3. 619 -1 .532 -2, .099 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3. 715 0 .174 -4 , ,717 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4. 741 0 .334 -5, .738 1 .00 0 .00 c ATOMO 519 C ARG A 38 -5. 005 -0, .986 -6. ,450 1 .00 0, .00 c ATOMO 520 O ARG A 38 -4. 083 -1, .626 -6. .958 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4. 317 1, .397 -6. ,752 1 .00 0, .00 c ATOMO 522 CG ARG A 38 -4. 023 2, .750 -6. .127 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5. 279 3, .375 -5. ,544 1 .00 0, .00 c ATOMO 524 NE ARG A 38 -5. 222 4, .836 -5. ,563 1 .00 0, .00 N ATOMO 525 CZ ARG A 38 -6. 158 5, .627 -5. ,035 1 .00 0, .00 c ATOMO 526 NHl ARG A 38 -7. 231 5, .109 -4. 449 1 .00 0, .00 N ATOMO 527 NH2 ARG A 38 -6. 018 6, .945 -5. 094 1 .00 0, .00 N ATOMO 528 H ARG A 38 -2. 871 -0, ,262 -4. 955 1 .00 0. .00 H ATOMO 529 HA ARG A 38 -5. 648 0. .655 -5. 250 1, .00 0, .00 H ATOMO 530 1HB ARG A 38 -3. 426 1. ,058 -7. 261 1, .00 0. .00 H ATOMO 531 2HB ARG A 38 -5. 107 1. .522 -7. 477 1, .00 0, .00 H ATOMO 532 1HG ARG A 38 -3. 296 2. , 622 -5. 339 1. .00 0. .00 H ATOMO 533 2HG ARG A 38 -3. 624 3. .407 -6. 887 1. .00 0, ,00 H ATOMO 534 1HD ARG A 38 -6. 131 3. ,049 -6.121 1. ,00 0. ,00 H ATOMO 535 2HD ARG A 38 -5. 389 3. ,042 -4. 521 1. ,00 0. ,00 H ATOMO 536 HE ARG A 38 -4. 444 5. 252 -5. 991 1. .00 0. ,00 H ATOMO 537 1HH1 ARG A 38 -7.346 4.117 -4.399 1.00 0.00 H ATOMO 538 2HH1 ARG A 38 -7 .925 5 .712 -4.057 1 .00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5 .213 7 .343 -5.535 1 .00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6 .718 7 .540 -4.700 1 .00 0. 00 H ATOMO 541 N ALA A 39 -6 .267 -1 .388 -6.482 1 .00 0. 00 N ATOMO 542 CA ALA A 39 -6 .656 -2 .633 -7.131 1 .00 0. 00 c ATOMO 543 C ALA A 39 -6 .432 -2 .559 -8.638 1 .00 0. 00 c ATOMO 544 O ALA A 39 -6 .846 -3 .503 -9.343 1 .00 0. 00 0 ATOMO 545 CB ALA A 39 -8 .110 -2 .958 -6.827 1 .00 0. 00 c ATOMO 546 OXT ALA A 39 -5 .846 -1 .558 -9.099 1 .00 0. .00 0 ATOMO 547 H ALA A 39 -6 .955 -0 .833 -6.059 1 .00 0. ,00 H ATOMO 548 HA ALA A 39 -6 .041 -3 .424 -6.725 1 .00 0. 00 H ATOMO 549 1HB ALA A 39 -8 .393 -3 .863 -7.342 1 .00 0. ,00 H ATOMO 550 2HB ALA A 39 -8 .738 -2 .144 -7.157 1 .00 0. ,00 H ATOMO 551 3HB ALA A 39 -8 .233 -3 .097 -5.762 1 .00 0. ,00 H TE 552 ALA A 39 ENOMDL MODEL 5 ATOMO 1 N GLY A 1 -0 .088 -14 .770 1.808 1 .00 0. .00 N ATOMO 2 CA GLY A 1 -1. .220 -14 .697 2.772 1 .00 0. ,00 c ATOMO 3 C GLY A 1 -1 .543 -13 .273 3.183 1 .00 0. .00 c ATOMO 4 0 GLY A 1 -2 .504 -12 .681 2.692 1 .00 0. ,00 0 ATOMO 5 1H GLY A 1 0 .535 -13 .946 1.926 1 .00 0. 00 H ATOMO 6 2H GLY A 1 -0 .450 -14 .781 0.834 1 .00 0. ,00 H ATOMO 7 3H GLY A 1 0 .465 -15 .636 1.972 1 .00 0. .00 H ATOMO 8 1HA GLY A 1 -2 .096 -15 .135 2.317 1 .00 0. 00 H ATOMO 9 2HA GLY A 1 -0 .965 -15 .265 3.656 1 .00 0. ,00 H ATOMO 10 N SER A 2 -0 .737 -12 .723 4.086 1 .00 0. ,00 N ATOMO 11 CA SER A 2 -0 .943 -11 .360 4.563 1 .00 0. 00 c ATOMO 12 C SER A 2 -0 .679 -10 .347 3.453 1 .00 0. ,00 c ATOMO 13 0 SER A 2 0 .295 -10 .465 2.709 1 .00 0. 00 0 ATOMO 14 CB. SER A 2 -0 .029 -11 .073 5.757 1 .00 0. 00 c ATOMO 15 OG SER A 2 1 .298 -10 .814 5.332 1 .00 0. 00 0 ATOMO 16 H SER A 2 0 .011 -13 .246 4.441 1 .00 0. 00 H ATOMO 17 HA SER A 2 -1 .971 -11 .270 4.879 1 .00 0. 00 H ATOMO 18 1HB . SER A - 2 -0 .397 -10 .209 6.289 1 .00 0. 00 H ATOMO 19 2HB SER A 2 -0 .023 -11 .927 6.416 1 .00 0. 00 H ATOMO 20 HG SER A 2 1 .825 -11 .611 5.424 1 .00 0. 00 H ATOMO 21 N CYS A 3 -1 .554 -9 .351 3.348 1 .00 0. 00 N ATOMO 22 CA CYS A 3 -1 .416 -8 .316 2.333 1 .00 0. 00 c ATOMO 23 C CYS A 3 -2 .053 -7 .013 2.802 1 .00 0. 00 c ATOMO 24 0 CYS A 3 -2 .778 -6 .986 3.797 1 .00 0. 00 0 ATOMO 25 CB CYS A 3 -2 .053 -8 .766 1.015 1 .00 0. 00 c ATOMO 26 SG CYS A 3 -3 .829 -9 .166 1.135 1 .00 0. 00 S ATOMO 27 H CYS A 3 -2 .307 -9 .309 3.972 1 .00 0. 00 H ATOMO 28 HA CYS A 3 -0 .361 -8 .149 2.172 1 .00 0. 00 H ATOMO 29 1HB CYS A 3 -1 .946 -7 .978 0.285 1 .00 0. 00 H ATOMO 30 2HB CYS A 3 -1. .541 -9 .648 0.661 1 .00 0. 00 H ATOMO 31 N VAL A 4 -1 .780 -5 .935 2.077 1 .00 0. 00 N ATOMO 32 CA VAL A 4 -2 .322 -4 .629 2.408 1 .00 0. 00 c ATOMO 33 C VAL A 4 -3 .672 -4 .416 1.718 1 .00 0. 00 c ATOMO 34 O VAL A 4 -3 .795 -4 .651 0.521 1 .00 0. 00 0 ATOMO 35 CB VAL A 4 -1. .342 -3 .522 1.981 1 .00 0. 00 c ATOMO 36 CG1 VAL A 4 -1 .906 -2 .141 2.282 1. .00 0. 00 c ATOMO 37 CG2 VAL A 4 -0 .001 -3 .723 2.666 1 .00 0. 00 c ATOMO 38 H VAL A 4 -1. .197 -6 .021 1.296 1. .00 0. 00 H ATOMO 39 HA VAL A 4 -2, .447 -4 .582 3.477 1, .00 0. 00 H ATOMO 40 HB VAL A 4 -1.191 -3.600 0.915 1.00 0.,00 H ATOMO 41 1HG1 VAL A 4 -1 .122 -1 .406 2 .192 1 .00 0. ,00 H ATOMO 42 2HG1 VAL A 4 -2 .304 -2 .127 3 .285 1 .00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2 .693 -1 .916 1 .578 1 .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0 .168 -4 .779 2 .819 1 .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0 .005 -3 .218 3 .620 1 .00 0. 00 H ATOMO 46 3HG2 VAL A 4 0 .784 -3 .319 2 .046 1 .00 0. 00 H ATOMO 47 N PRO A 5 -4 .708 -3 .959 2 .446 1 .00 0. ,00 N ATOMO 48 CA PRO A 5 -6 .024 -3 .726 1 .849 1 .00 0. 00 c ATOMO 49 C PRO A 5 -5 .994 -2 .587 0 .837 1 .00 0. 00 c ATOMO 50 0 PRO A 5 -5 .399 -1 .530 1 .081 1 .00 0. ,00 0 ATOMO 51 CB PRO A 5 -6 .922 -3 .362 3 .042 1 .00 0. 00 c ATOMO 52 CG PRO A 5 -6 .140 -3 .721 4 .262 1 .00 0. ,00 c ATOMO 53 CD PRO A 5 -4 .692 -3 .623 3 .879 1 .00 0. ,00 c ATOMO 54 HA PRO A 5 -6 .400 -4 .621 1 .369 1 .00 0. ,00 H ATOMO 55 1HB PRO A 5 -7 .147 -2 .307 3 .015 1 .00 0. 00 H ATOMO 56 2HB PRO A 5 -7 .840 -3 .929 2 .985 1 .00 0. 00 H ATOMO 57 1HG PRO A 5 -6 .363 -3 .026 5 .058 1 .00 0. ,00 H ATOMO 58 2HG PRO A 5 -6 .379 -4 .730 4 .567 1 .00 0. ,00 H ATOMO 59 1HD PRO A 5 -4 .325 -2 .619 4 .038 1 .00 0. 00 H ATOMO 60 2HD PRO A 5 -4 .105 -4 .334 4 .438 1 .00 0. 00 H ATOMO 61 N VAL A 6 -6 .652 -2 .791 -0 .300 1 .00 0. 00 N ATOMO 62 CA VAL A 6 -6 .703 -1 .777 -1 .334 1 .00. 0. 00 c ATOMO 63 C VAL A 6 -7 .318 -0 .505 -0 .781 1 .00 0. 00 c ATOMO 64 0 VAL A 6 -8 .133 -0 .548 0 .138 1 .00 0. 00 0 ATOMO 65 CB VAL A 6 -7 .490 -2 .268 -2 .563 1 .00 0. 00 c ATOMO 66 CG1 VAL A 6 -7 .580 -1 .188 -3 .630 1 .00 0. 00 c ATOMO 67 CG2 VAL A 6 -6 .835 -3 .517 -3 .125 1 .00 0. 00 c ATOMO 68 H VAL A 6 -7 .120 -3 .634 -0 .440 1 .00 0. 00 H ATOMO 69 HA VAL A 6 -5 .688 -1 .567 -1 .642 1 .00 0. 00 H ATOMO 70 HB VAL A 6 -8 .491 -2 .521 -2 .250 1 .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8 .003 -0 .293 -3 .199 1 .00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8 .208 -1 .533 -4 .437 1 .00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6 .591 -0 .975 -4 .007 1, .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5 .783 -3 .510 -2 .877 1 .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -6 .951 -3 .533 -4 .197 1. .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7 .300 -4 .390 -2 .696 1, .00 0. 00 H ATOMO 77 N ASP A 7 -6 .887 0 .624 -1 .324 1 .00 0. 00 N ATOMO 78 CA ASP A 7 -7 .346 1 .925 -0 .878 1 .00 0. 00 c ATOMO 79 C ASP A 7 -6 .731 2 .283 0 .477 1 .00 0. 00 c ATOMO 80 O ASP A 7 -7 .071 3 .315 1 .058 .1 .00 0. 00 0 ATOMO 81 CB ASP A 7 -8 .873 1 .974 -0 .803 1, .00 0. 00 c ATOMO 82 CG ASP A 7 -9 .531 1 .472 -2 .073 1, .00 0. 00 c ATOMO 83 OD1 ASP A 7 -10 .299 0 .490 -1 .995 1., .00 0. 00 0 ATOMO 84 OD2 ASP A 7 -9 .279 2 .060 -3 .146 1. .00 0. 00 0 ATOMO 85 H ASP A 7 -6 .219 0 .584 -2 .024 1. .00 0. 00 H ATOMO 86 HA ASP A 7 -7. .012 2 .650 -1, .605 1, .00 0. 00 H ATOMO 87 1HB ASP A 7 -9, .208 1 .362 0 .019 1. .00 0. 00 H ATOMO 88 2HB ASP A 7 -9, .178 2 .992 -0 .640 1. .00 0. 00 H ATOMO 89 N GLN A 8 -5, .808 1 .445 0 .980 1. .00 0. 00 N ATOMO 90 CA GLN A 8 -5, .159 1 .720 2 .251 1, .00 0. 00 c ATOMO 91 C GLN A 8 -3. .665 1 .950 2 .044 1, .00 0. 00 c ATOMO 92 0 GLN A 8 -3. .087 1 .465 1. .070 1. .00 0. 00 0 ATOMO 93 CB GLN A 8 -5. .380 0 .576 3, .240 1. ,00 0. 00 c ATOMO 94 CG GLN A 8 -6. .842 0 .212 3 .440 1. .00 0. 00 c ATOMO 95 CD GLN A 8 -7. .642 1. .339 4 .064 1. ,00 0. 00 c ATOMO 96 OE1 GLN A 8 -7. .255 1. .895 5 .092 1. .00 0. 00 0 . ATOMO 97 NE2 GLN A . 8 -8,.764 1.682 3,.444 1,.00 0.,00 N ATOMO 98 H GLN A 8 -5 .549 0. 636 0, .484 1 .00 0. ,00 H ATOMO 99 HA GLN A 8 -5, .594 2. 621 2 .650 1, .00 0. ,00 H ATOMO 100 1HB GLN A 8 - .858 -0. 298 2 .885 1, .00 0. ,00 H ATOMO 101 2HB GLN A 8 -4 .970 0. 863 .199 1 .00 0. ,00 H ATOMO 102 1HG GLN A 8 -7 .274 -0. 028 2 .480 1 .00 0. ,00 H ATOMO 103 2HG GLN A 8 -6 .899 -0. 651 4 .087 1 .00 0. ,00 H ATOMO 104 1HE2 GLN A 8 -9 .011 1. 195 2 .630 1 .00 0. ,00 H ATOMO 105 2HE2 GLN A 8 -9 .302 2. 407 3 .826 1 .00 0. .00 H ATOMO 106 N PRO A 9 -3 .015 2. 706 2 .946 1 .00 0. .00 N ATOMO 107 CA PRO A 9 -1 .586 3. 000 2 .832 1 .00 0, .00 c ATOMO 108 C PRO A 9 -0 .708 1. 764 2 .950 1 .00 0, .00 c ATOMO 109 O PRO A 9 -0 .966 0. 869 3 .754 1 .00 0. .00 O ATOMO 110 CB PRO A 9 -1 .308 3. 956 3 .992 1 .00 0, .00 c ATOMO 111 CG PRO A 9 -2 .429 3. 745 4 .952 1 .00 0 .00 c ATOMO 112 CD PRO A 9 -3 .619 3. 344 4 .131 1 .00 0 .00 c ATOMO 113 HA PRO A 9 -1 .367 3. 498 1 .901 1 .00 0 .00 H ATOMO 114 1HB PRO A 9 -0 .354 3. 715 4 .439 1 .00 0 .00 H ATOMO 115 2HB PRO A 9 -1 .288 4. 966 3 .620 1 .00 0 .00 H ATOMO 116 1HG PRO A 9 -2 .172 2. 958 5 .647 1 .00 0 .00 H ATOMO 117 2HG PRO A 9 -2 .635 4. 658 5 .484 1 .00 0 .00 H ATOMO 118 1HD PRO A 9 -4 .232 2. 643 4 .677 1 .00 0 .00 H ATOMO 119 2HD PRO A 9 -4 .195 4. 211 3 .849 1 .00 0 .00 H ATOMO 120 N CYS A 10 0 .343 1. 741 2 .144 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .293 0. 639 2 .143 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .715 1. 166 2 .284 1 .00 0 .00 c ATOMO 123 O CYS A 10 2 .933 2. 371 2 .409 1 .00 0 .00 O ATOMO 124 CB CYS A 10 1 .168 -0. 180 0 .857 1 .00 0 .00 c ATOMO 125 SG CYS A 10 1 .033 0. 823 -0 .658 1 .00 0 .00 s ATOMO 126 H CYS A 10 0 .488 2. 496 1 .538 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1 .069 0. 006 2 .989 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 2 .038 -0. 812 0 .755 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .288 -0. 801 0 .922 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .677 0. 257 2 .261 1 .00 0 .00 N ATOMO 131 CA SER A 11 5 .080 0. 624 2 .384 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .951 -0. 240 1 .479 1 .00 0 .00 c ATOMO 133 0 SER A 11 5 .737 -1. 446 1 .360 1 .00. 0 .00 o ATOMO 134 CB SER A 11 5 .539 0. 487 3 .835 1 .00 0 .00 c ATOMO 135 OG SER A 11 4 .442 0. 564 4 .727 1 .00 0 .00 O ATOMO 136 H SER A 11 3 .437 -0. 684 2 .158 1 .00 0 .00 H ATOMO 137 HA SER A 11 5 .179 1. 656 2 .081 1 .00 0 .00 H ATOMO 138 1HB SER A 11 6 .028 -0. 467 3 .967 1 .00 0, .00 H ATOMO 139 2HB SER A 11 6 .233 1. 280 4 .067 1 .00 0 .00 H ATOMO 140 HG SER A 11 4 .609 1. 247 5 .381 1 .00 0 .00 H ATOMO 141 N LEU A 12 6 .933 0. 388 0 .841 1 .00 0 .00 N ATOMO 142 CA LEU A 12 7 .839 -0. 317 -0 .058 1 .00 0 .00 c ATOMO 143 C LEU A 12 8 .575 -1. 454 0 .655 1 .00 0 .00 c ATOMO 144 0 LEU A 12 9 .090 -2. 365 0 .008 1 .00 0 .00 0 ATOMO 145 CB LEU A 12 8 .851 0. 658 -0 .668 1 .00 0 .00 c ATOMO 146 CG LEU A 12 9 .623 1. 516 0 .338 1 .00 0 .00 c ATOMO 147 CDl LEU A 12 10 .641 0. 673 1 .088 1 .00 0 .00 c ATOMO 148 CD2 LEU A 12 10 .306 2. 677 -0 .371 .1 .00 0 .00 c ATOMO 149 H LEU A 12 7 .048 1. 352 0 .977 1 .00 0 .00 H ATOMO 150 HA LEU A 12 7 .245 -0. 740 -0 .854 1 .00 0 .00 H ATOMO 151 1HB LEU A 12 9 .565 0. 087 -1 .244 1 .00 0 .00 H ATOMO 152 2HB LEU A 12 8 .322 1. 319 -1 .338 1 .00 0 .00 H ATOMO 153 HG LEU A 12 8 .933 1. 924 1 .060 1 .00 0 .00 H ATOMO 154 1HD1 LEU A 12 11..527 1.261 1.279 1.00 0.00 H ATOMO 155 2HD1 LEU A 12 10. 902 -0 .191 0 .494 1 .00 0 .00 H ATOMO 156 3HD1 LEU A 12 10. 217 0 .349 2 .027 1 .00 0 .00 H ATOMO 157 1HD2 LEU A 12 11. 000 2 .293 -1 .104 1 .00 0 .00 H ATOMO 158 2HD2 LEU A 12 10. ,841 3 .274 0 .352 1 .00 0 .00 H ATOMO 159 3HD2 LEU A 12 9. .563 3 .286 -0 .864 1 .00 0 .00 H ATOMO 160 N ASN A 13 8. 626 -1 .402 1 .986 1 .00 0 .00 N ATOMO 161 CA ASN A .13 9. .304 -2 .434 2 .761 1 .00 0 .00 C ATOMO 162 C ASN A 13 8. ,310 -3 .365 3 .461 1 .00 0 .00 C ATOMO 163 0 ASN A 13 8. ,704 -4 .172 4 .303 1 .00 0 .00 0 ATOMO 164 CB ASN A 13 10. ,227 -1 .793 3 .798 1 .00 0 .00 C ATOMO 165 CG ASN A 13 11. ,565 -1 .390 3 .210 1 .00 0.00 C ATOMO 166 OD1 ASN A 13 12. ,127 -2 .097 2 .374 1 .00 0 .00 0 ATOMO 167 ND2 ASN A ' 13 12. ,082 -0 .248 3 .647 1 .00 0 .00 N ATOMO 168 H ASN A 13 8. ,203 -0 .659 2 .458 1 .00 0 .00 H ATOMO 169 HA ASN A 13 9. .901 -3 .017 2 .078 1 .00 0 .00 H ATOMO 170 1HB ASN A 13 9. 751 -0 .911 4 .199 1 .00 0 .00 H ATOMO 171 2HB ASN A 13 10. ,403 -2 .496 4 .599 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 11. .579 0 .263 4 .316 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 12. ,945 0 .039 3 .283 1 .00 0 .00 H ATOMO 174 N THR A 14 7. .025 -3 .256 3 .119 1 .00 0 .00 N ATOMO 175 CA THR A 14 6. ,004 -4 .095 3 .729 1 .00 0 .00 C ATOMO 176 C THR A 14 5. ,454 -5 .104 2 .726 1 .00 0 .00 C ATOMO 177 O THR A 14 5. ,908 -5 .172 1 .583 1 .00 0 .00 0 ATOMO 178 CB THR A 1 4. .869 -3 .229 4 .275 1 .00 0 .00 C ATOMO 179 OG1 THR A 14 4. .349 -2 .387 3 .262 1 .00 0 .00 0 ATOMO 180 CG2 THR A 14 5. 294 -2 .350 5 .429 1 .00 0 .00 C ATOMO 181 H THR A 14 6. 756 -2 .600. 2 .447 1 .00 0 .00 H ATOMO 182 HA THR A 14 6. 461 -4 .629 4 .546 1 .00 0 .00 H ATOMO 183 HB THR A 14 4. 074 -3 .871 4 .625 1 .00 0 .00 H ATOMO 184 HG1 THR A 14 3. 409 -2 .255 3 .407 1 .00 0 .00 H ATOMO 185 1HG2 THR A 14 4. 608 -1 .522 5 .523 1 .00 0 .00 H ATOMO 186 2HG2 THR A 14 6. 291 -1 .974 5 .246 1 .00 0 .00 H ATOMO 187 3HG2 THR A 14 5. 289 -2 .927 6 .342 1 .00 0 .00 H ATOMO 188 N GLN A 15 4. 474 -5 .886 3 .164 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3. 854 -6 .•894 2 .317 1 .00 0 .00 c ATOMO 190 C GLN A 15 3. 094 -6 .247 1 .158 1 .00 0 .00 c ATOMO 191 0 GLN A 15 2. 695 -5 .086 1 .245 1 .00 0 .00 o ATOMO 192 CB GLN A 15 2. 902 -7 .755 3 .147 1 .00 0 .00 c ATOMO 193 CG GLN A 15 3. 598 -8 .555 4 .235 1 .00 0 .00 c ATOMO 194 CD GLN A 15 4. 557 -9 .587 3 .676 1 .00 0 .00 c ATOMO 195 OE1 GLN A 15 4. 297 -10 .192 2 .635 1 .00 0 .00 o ATOMO 196 NE2 GLN A ' 15 5. 672 -9 .794 4 .365 1 .00 0 .00 N ATOMO 197 H GLN A 15 4. 159 -5 .782 4 .085 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4. 636 -7 .521 1 .916 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 2. 171 -7 .112 3 .616 1 .00 0, .00 H ATOMO 200 2HB GLN A 15 2. 394 -8 .444 2 .493 1 .00 0, .00 H ATOMO 201 1HG GLN A 15 4. 152 -7 .875 4 .864 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2. 850 -9 .062 4 .827 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 5. 813 -9 .276 5 .185 1 .00 0, .00 H ATOMO 204 2HE2 GLN A 15 6. 311 -10 .456 4 .026 1 .00 0, .00 H ATOMO 205 N PRO A 16 2. 874 -6, .990 0 .050 1 .00 0, .00 N ATOMO 206 CA PRO A 16 2. 149 -6. .464 -1 .112 1 .00 0, .00 c ATOMO 207 C PRO A 16 0. 707 -6, .109 -0 .772 1, .00 0, .00 c ATOMO 208 O PRO A 16 0. 276 -6. .262 0 .371 1. .00 0, .00 o ATOMO 209 CB PRO A 16 2. 195 -7, .615 -2 .124 1. .00 0. .00 c ATOMO 210 CG PRO A 16 2. 451 -8, .836 -1 .310 1, .00 0, .00 c ATOMO 211 CD PRO A 16 3.300 -8.388 -0.155 1.00 0.00 C ATOMO 212 HA PRO A 16 2 .644 -5. 597 -1 .525 1 .00 0 .00 H ATOMO 213 1HB PRO A 16 1 .249 -7. 678 -2 .643 1 .00 0 .00 H ATOMO 214 2HB PRO A 16 2 .988 -7. 442 -2 .835 1 .00 0 .00 H ATOMO 215 1HG PRO A 16 1 .516 -9. 243 -0 .953 1 .00 0 .00 H ATOMO 216 2H6 PRO A 16 2 .980 -9. 569 -1 .902 1 .00 0 .00 H ATOMO 217 1HD PRO A 16 3 .097 -8. 988 0 .718 1 .00 0 .00 H ATOMO 218 2HD PRO A 16 4 .347 -8. 437 -0 .414 1 .00 0 .00 H ATOMO 219 N CYS A 17 -0 .037 -5. 636 -1 .765 1 .00 0 .00 N ATOMO 220 CA CYS A 17 -1 .429 -5. 263 -1 .559 1 .00 0 .00 c ATOMO 221 C CYS A 17 -2 .352 -6. 459 -1 .759 1 .00 0 .00 c ATOMO 222 0 CYS A 17 -1 .910 -7. 553 -2 .108 1 .00 0 .00 o ATOMO 223 CB CYS A 17 -1 .827 -4. 127 -2 .505 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0 .766 -2. 650 -2 .388 1 .00 0 .00 s ATOMO 225 H CYS A 17 0 .359 -5. 534 -2 .656 1 .00 0 .00 H ATOMO 226 HA CYS A 17 -1 .531 -4. 916 -0 .542 1 .00 0 .00 H ATOMO 227 1HB CYS A 17 -1 .783 -4. 484 -3 .523 1 .00 0 .00 H ATOMO 228 2HB CYS A 17 -2 .839 -3. 824 -2 .280 1 .00 0 .00 H ATOMO 229 N CYS A 18 -3 .638 -6. 236 -1 .523 1 .00 0 .00 N ATOMO 230 CA CYS A 18 -4 .644 -7. 279 -1 .659 1 .00 0 .00 c ATOMO 231 C CYS A 18 -5 .442 -7. 095 -2 .944 1 .00 0 .00 c ATOMO 232 O CYS A 18 -5 .370 -6. .050 -3 .589 1 .00 0 .00 o ATOMO 233 CB CYS A 18 -5 .587 -7. 254 -0 .453 1 .00 0 .00 c ATOMO 234 SG CYS A 18 -4 .742 -7. 353 1 .160 1 .00 0 .00 s ATOMO 235 H CYS A 18 -3 .916 -5. 342 -1 .242 1 .00 0 .00 H ATOMO 236 HA CYS A 18 -4 .138 -8. 231 -1 .692 1 .00 0 .00 H ATOMO 237 1HB CYS A 18 -6 .152 -6. 333 -0 .468 1 .00 0 .00 H ATOMO 238 2HB CYS A 18 -6 .270 -8. 086 -0 .518 1 .00 0 .00 H ATOMO 239 N ASP A 19 -6 .205 -8. 119 -3 .315 1 .00 0 .00 N ATOMO 240 CA ASP A 19 -7 .021 -8. 072 -4 .527 1 .00 0 .00 c ATOMO 241 C ASP A 19 -6 .172 -7. 730 -5 .749 1 .00 0 .00 c ATOMO 242 0 ASP A 19 -6 .650 -7. 109 -6 .698 1 .00 0 .00 0 ATOMO 243 CB ASP A 19 -8 .143 -7. 044 -4 .371 1 .00 .00 c ATOMO 244 CG ASP A 19 -9 .011 -7. 316 -3 .159 1 .00 0 .00 c ATOMO 245 ODl ASP A 19 -9 .433 -8. 477 -2 .979 1 .00 0 .00 o ATOMO 246 OD2 ASP A 19 -9 .269 -6. 367 -2 .388 1 .00 0 .00 0 ATOMO 247 H ASP A 19 -6 .220 -8. 925 -2 .759 1 .00 0 .00 H ATOMO 248 HA ASP A 19 -7 .457 -9. 049 -4 .669 1 .00 0 .00 H ATOMO 249 1HB ASP A 19 -7 .710 -6. 060 -4 .267 1 .00 0 .00 H ATOMO 250 2HB ASP A 19 -8 .767 -7. 066 -5 .251 1 .00 0 .00 H ATOMO 251 N ASP A 20 -4 .906 -8. 140 -5 .716 1 .00 0 .00 N ATOMO 252 CA ASP A 20 -3 .981 -7. 879 -6 .814 1 .00 0 .00 c ATOMO 253 C ASP A 20 -3 .724 -6. 384 -6 .969 1 .00 0 .00 c ATOMO 254 O ASP A 20 -3 .575 -5. 881 -8 .083 1 .00 0 .00 o ATOMO 255 CB ASP A 20 -4 .523 -8. 456 -8 .126 1 .00 0 .00 c ATOMO 256 CG ASP A 20 -3 .417 -8. 867 -9 .078 1 .00 0.00 c ATOMO 257 ODl ASP A 20 -3 .681 -8. 947 -10 .296 1 .00 0 .00 0 ATOMO 258 OD2 ASP A 20 -2 .285 -9. 107 -8. .606 1 .00 0 .00 o ATOMO 259 H ASP A 20 -4 .585 -8. 629 -4. .930 1 .00 0 .00 H ATOMO 260 HA ASP A 20 -3 .047 -8. 365 -6, .577 1 .00 0, .00 H ATOMO 261 1HB ASP A 20 -5 .124 -9. 327 -7, .907 1 .00 0, .00 H ATOMO 262 2HB ASP A 20 -5 .136 -7. 713 -8. .612 1. .00 0, .00 H ATOMO 263 N ALA A 21 -3 .665 -5. 680 -5. .843 1. .00 0, .00 N ATOMO 264 CA ALA A 21 -3 .417 -4. 242 -5. .854 1. .00 0, .00 c ATOMO 265 C ALA A 21 -1, .927 -3. 951 -5. .988 1. .00 0. .00 c ATOMO 266 O ALA A 21 -1. .106 -4. 866 -6. .025 1. .00 0. .00 o ATOMO 267 CB ALA A 21 -3, .968 -3. 592 -4. .594 1. .00 0, .00 c ATOMO 268 H ALA A 21 -3.786 -6.139 -4.986 1.00 0.00 H ATOMO 269 HA ALA A 21 -3 .933 -3 .821 -6 .705 1. 00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .993 -4 .318 -3 .797 1. 00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .967 -3 .228 -4 .782 1. 00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .333 -2 .766 -4 .306 1. 00 0. 00 H ATOMO 273 N THR A 22 -1 .588 -2 .669 -6 .055 1. 00 0. 00 N ATOMO 274 CA THR A 22 -0 .201 -2 .254 -6 .181 1. 00 0. 00 C ATOMO 275 C TH A 22 0 .071 -1 .017 -5 .330 1. 00 0. 00 C ATOMO 276 O THR A 22 -0 .769 -0 .120 -5 .236 1. 00 0. 00 0 ATOMO 277 CB THR A 22 0 .129 -1 .967 -7 .645 1. ,00 0. 00 c ATOMO 278 OG1 THR A 22 -0 .115 -3 .108 -8 .447 1. 00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .566 -1 .551 -7 .863 1. 00 0. ,00 c ATOMO 280 H THR A 22 -2 .287 -1 .986 -6 .019 1. ,00 0.00 H ATOMO 281 HA THR A 22 0 .423 -3 .063 -5 .830 .1. 00 0. 00 H ATOMO 282 HB THR A 22 -0 .504 -1 .164 -7 .995 1. ,00 0. ,00 H ATOMO 283 HG1 THR A 22 -0 .213 -2 .840 -9 .364 1. ,00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .687 -0 .516 -7 .581 1. ,00 0. 00 H ATOMO 285 2HG2 THR A 22 1 .821 -1 .673 -8 .905 1. 00 0. 00 H ATOMO 286 3HG2 THR A 22 2 .213 -2 .169 -7 .258 1. ,00 0. ,00 H ATOMO 287 N CYS A 23 1 .250 -0 .974 -4 .718 1. ,00 0. ,00 N ATOMO 288 CA CYS A 23 1 .636 0 .155 -3 .883 1. 00 0. 00 c ATOMO 289 C CYS A 23 2 .106 1 .310 -4 .764 1. 00 0. 00 c ATOMO 290 0 CYS A 23 3 .133 1 .209 -5 .435 1. 00 0. 00 0 ATOMO 291 CB CYS A 23 2 .744 -0 .267 -2 .915 1. ,00 0. 00 c ATOMO 292 SG CYS A 23 2 .905 0 .797 -1 .445 1. 00 0. 00 s ATOMO 293 H CYS A 23 1 .877 -1 .718 -4 .836 1. 00 0. 00 H ATOMO 294 HA CYS A 23 0 .769 0 .470 -3 .320 1. 00 0. 00 H ATOMO 295 1HB CYS A 23 2 .546 -1 .271 -2 .570 1. 00 0. 00 H ATOMO 296 2HB CYS A 23 3 .691 -0 .252 -3 .436 1. 00 0. 00 H ATOMO 297 N THR A 24 1 .336 2 .395 -4 .782 1. 00 0. 00 N ATOMO 298 CA THR A 24 1 .661 3 .551 -5 .606 1. 00 0. 00 c ATOMO 299 C THR A 24 1 .834 4 .817 -4 .769 1. 00 0. 00 c ATOMO 300 0 THR A 24 1 .289 4 .942 -3 .672 1. 00 0. 00 o ATOMO 301 CB THR A 24 0 .566. 3 .764 -6 .662 1. 00 0. 00 c ATOMO 302 OG1 THR A 24 0 ;578 2 .714 -7 .612 1. 00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .689 5 .071 -7 .424 1. 00 0. 00 c ATOMO 304 H THR A 24 0 .519 2 .413 -4 .245 1. 00 0. 00 H ATOMO 305 HA THR A 24 2 .592 3 .343 -6 .112 1. 00 0. 00 H ATOMO 306 HB THR A 24 -0 .397 3 .760 -6 .168 1. 00 0. 00 H ATOMO 307 HG1 THR A 24 -0 .236 2 .733 -8 .121 1. 00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .515 5 .896 -6 .748 1. 00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .039 5 .095 -8 .218 1. 00 0. 00 H ATOMO 310 3HG2 THR A 24 1 ;683 5 .152 -7 .839 1.00 0. 00 H ATOMO 311 N GLN A 25 2 .582 5 .758 -5 .332 1. 00 0. 00 N ATOMO 312 CA GLN A 25 2 .832 7 .039 -4 .697 1. 00 0. 00 c ATOMO 313 C GLN A 25 1 .597 7 .931 -4 .815 1. 00 0. 00 c ATOMO 314 O GLN A 25 1 .024 8 .077 -5 .895 1. 00 0. 00 0 ATOMO 315 CB GLN A 25 .041 7 .713 -5 .355 1. 00 0. 00 c ATOMO 316 CG GLN A 25 4 .291 9 .129 -4 .873 1. 00 0. 00 c ATOMO 317 CD GLN A 25 5 .675 9 .635 -5 .228 1. 00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .667 8 .923 -5 .072 1. 00 0. 00 o ATOMO 319 NE2 GLN A 25 5 .748 10 .870 -5 .709 1. 00 0. 00 N ATOMO 320 H GLN A 25 2 .963 5 .589 -6 .215 1. 00 0. 00 H ATOMO 321 HA GLN A 25 3 .047 6 .869 -3 .654 1. 00 0. 00 H ATOMO 322 1HB GLN A 25 4 .922 7 .125 -5 .148 1. 00 0. 00 H ATOMO 323 2HB GLN A 25 3 .884 7. .742 -6 .424 1. 00 0. 00 H ATOMO 324 1HG GLN A 25 3 .557 9 .778 -5 .326 1. 00 0. 00 H ATOMO 325 2HG GLN A 25 4.175 9.151 -3.801 1.00 0.00 H ATOMO 326 1HE2 GLN A 25 4 .916 11 .379 -5 .806 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .631 11 .222 -5 .947 1 .00 0. 00 H ATOMO 328 N GLU A 26° 1 .196 8 .522 -3 .699 1 .00 0. 00 N ATOMO 329 CA GLU A 26 0 .032 9 .399 -3 .673 1 .00 0. 00 c ATOMO 330 C GLU A 26 0 .246 10 .556 -2 .705 1 .00 0. 00 c ATOMO 331 0 GLU A 26 1 .311 10 .686 -2 .101 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1 .218 8 .610 -3 .279 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1 .485 7 .413 -4 .177 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2 .812 6 .743 -3 .876 1 .00 0. 00 c ATOMO 335 0E1 GLU A 26 -2 .962 5 .548 -4 .208 1 .00 0. 00 0 ATOMO 336 0E2 GLU A 26 -3 .699 7 .412 -3 .306 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1 .696 8 .366 -2 .872 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0 .105 9 .798 -4 .665 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .102 8 .256 -2 .266 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .073 9 .266 -3 .326 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .493 7 .745 -5 .204 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .693 6 .693 -4 .038 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0 .774 11 .394 -2 .563 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0 .701 12 .545 -1 .670 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1 .751 12 .448 -0 .567 1 .00 0. 00 c ATOMO 346 0 ARG A 27 -2 .897 12 .075 -0 .818 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -0 .893 13 .840 -2 .460 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0 .355 14 .284 -3 .211 1 .00 0. 00 c ATOMO 349 CD ARG A 27 0 .523 15 .795 -3 .173 1 .00 0. 00 c ATOMO 350 NE ARG A 27 1 .790 16 .221 -3 .769 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 2 .986 15 .998 -3 .223 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 3 .092 15 .362 -2 .061 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 4 .082 16 .417 -3 .841 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1 .595 11 .236 -3 .073 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0 .279 12 .553 -1 .217 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -1 .686 13 .696 -3 .180 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .176 14 .626 -1 .778 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 1 .219 13 .825 -2 .755 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 0 .277 13 .965 -4 .240 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -0 .290 16 .249 -3 .719 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 0 .491 16 .123 -2 .145 1 .00 0. 00 H ATOMO 362 HE ARG A 27 1 .747 16 .698 -4 .623 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 2 .274 15 .046 -1 .584 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 3 .996 15 .199 -1 .663 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 4 .009 16 .900 -4 .714 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 4 .980 16, .251 -3 .435 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1 .351 12 .784 0 .654 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2 .256 12 .732 1 .796 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2 .924 1 .085 2 .027 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2 .768 15 .010 1 .229 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1 .496 12 .298 3 .054 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0 .439 13 .301 3 .475 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0 .160 14, .262 2 .760 1 .00 0. 00 o ATOMO 374 ND2 ASN A 28 0 .155 13 .079 4 .642 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .424 13 .072 0 .792 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -3 .020 12 .001 1 .579 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2 .196 12 .179 3 .867 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -1 .011 11 .353 2, .862 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 -0 .118 12 .293 5 .159 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 0 .843 13 .712 4 .938 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3 .667 14 .192 3 .124 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4.356 15.431 3.461 1.00 0.00 C ATOMO 383 C GLU A 29 -3. 358 16. 549 3 .745 1 .00 0. 00 C ATOMO 384 O GLU A 29 -3. 635 17. 721 3 .491 1 .00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 263 15. 221 4 .675 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -6. 629 14. 654 4 .324 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -7. 744 15. 273 5 .142 1 .00 0. 00 c ATOMO 388 0E1 GLU A 29 -8. 874 15. 383 4 .620 1 .00 0. 00 0 ATOMO 389 OE2 GLU A 29 -7. 489 15. 649 6 .306 1 .00 0. 00 0 ATOMO 390 H GLU A 29 -3. 752 13. 420 3 .721 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -4. 964 15. 714 2 .615 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -4. 778 14. 537 5 .357 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5. 407 16. 168 5 .172 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -6. 824 14. 840 3 .279 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -6. 619 13. 588 4 .504 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2. 196 16. 178 4 .274 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1. 156 17. 150 4 .592 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0. 469 17. 650 3 .324 1 .00 0. 00 c ATOMO 399 O ASN A 30 0. 008 18. 784 3 .273 1 .00 0. ,00 0 ATOMO 400 CB ASN A 30 -0. 124 16. 533 5 .536 1 .00 0. ,00' c ATOMO 401 CG ASN A 30 -0. 696 16. 246 6 .910 1 .00 0. ,00 c ATOMO 402 OD1 ASN A 30 -1. 566 15. 390 7 .067 1 .00 0. ,00 0 ATOMO 403 ND2 ASN A 30 -0. 208 16. ,964 7 .916 1 .00 0. ,00 N ATOMO 404 H ASN A 30 -2. 034 15.229 4 .454 1 .00 0. ,00 H ATOMO 405 HA ASN A 30 -1. 626 17. 987 5 .085 1 .00. 0. ,00 H ATOMO 406 1HB ASN A 30 0. 232 15. 605 5 .114 i .00 0. 00 H ATOMO 407 2HB ASN A 30 0. 707 17. 215 5 .647 1 .00 0. 00 H ATOMO 408 1HD2 ASN A 30 0. 485 17. .628 7 .717 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0. 560 16. 798 8 .816 1 .00 0. 00 H ATOMO 410 N GLY A 31 -0. 425 16. 800 2 .303 1 .00 0. 00 ATOMO 411 CA GLY A 31 0. 205 17. 179 1 .051 1 .00 0. 00 c ATOMO 412 C GLY A 31 1. 580 16. 557 0 .860 1 .00 0. 00 c ATOMO 413 O GLY A 31 2. 320 16. 954 -0 .040 1 .00 0. 00 0 ATOMO 414 H GLY A 31 -0. 822 15. 907 2 .400 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 431 16. 869 0 .236 1 .00 0. 00 H ATOMO 416 2HA GLY A 31 0. 304 18. 254 1 .025 1 .00 0. 00 H ATOMO 417 N HIS A 32 1. 925 15. 581 1 .697 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3. 217 14. 913 1 .598 1 .00 0. 00 c ATOMO 419 C HIS A 32 3. 094 13. 628 0 .784 1 .00 0. 00 c ATOMO 420 O HIS A 32 2. 017 13. 034 0 .707 1 .00 0. 00 o ATOMO 421 CB HIS A 32 3. 767 14. 612 2 .997 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5. 017 15. 369 3 .322 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 5. 186 16. 705 3 .026 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6. 164 14. 970 3 .921 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 6. 383 17. 095 3 .429 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 6. 995 16. 061 3 .975 1 .00 0. 00 N ATOMO 427 H HIS A 32 1. 297 15. 297 2 .394 1 .00 0. 00 H ATOMO 428 HA HIS A 32 3. 896 15. 582 1 .089 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3. 021 14. 875 3 .732 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 3. 986 13. 557 3 .077 1 .00 0. 00 H ATOMO 431 HD1 HIS A 32 4. 528 17. 282 2 .587 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6. 384 13. 977 4 .288 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 6. 790 18. 090 3. .329 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 7. 871 16. 090 4. .416 1 .00 0. 00 H ATOMO 435 N THR A 33 4. 196 13. 202 0, .178 1 .00 0. 00 N ATOMO 436 CA THR A 33 4. 197 11. 988 -0, .627 1 .00 0. 00 c ATOMO 437 C THR A 33 3. 995 10. 755 0. .244 1 .00 0. 00 c ATOMO 438 o THR A 33 4 . 656 10. 588 1. .269 1 .00 0. 00 0 ATOMO 439 CB THR A 33 5.504 11.859 -1.410 1.00 0..00 c ATOMO 440 0G1 THR A 33 5.753 13. 027 -2 .170 1 .00 0. .00 0 ATOMO 441 CG2 THR A 33 5.512 10. 680 -2 .360 1 .00 0. .00 c ATOMO 442 H THR A 33 5.026 13. 716 0 .273 1 .00 0. .00 H ATOMO 443 HA THR A 33 3.378 12. 056 -1 .326 1 .00 0. .00 H ATOMO 444 HB THR A 33 6.319 11. 727 -0 .712 1 .00 0. .00 H ATOMO 445 HG1 THR A 33 6.637 13. 351 -1 .982 1 .00 0. .00 H ATOMO 446 1HG2 THR A 33 6.524 10. 472 -2 .671 1 .00 0. .00 H ATOMO 447 2HG2 THR A 33 4.910 10. 913 -3 .226 1 .00 0. .00 H ATOMO 448 3HG2 THR A 33 5.103 9. 813 -1 .862 1 .00 0. .00 H ATOMO 449 N VAL A 34 3.074 9.. 893 -0 .173 1 .00 0. .00 N ATOMO 450 CA VAL A 34 2.779 8. 672 0 .562 1 .00 0. .00 c ATOMO 451 C VAL A 34 2.602 7. 497 -0 .391 1 .00 0. ,00 c ATOMO 452 0 VAL A 34 2.588 7. 669 -1 .607 1 .00 0. ,00 0 ATOMO 453 CB VAL A 34 1.506 8. 822 1 .416 1 .00 0. .00 c ATOMO 454 CG1 VAL A 34 1.780 9. 685 2 .638 1 .00 0. ,00 c ATOMO 455 CG2 VAL A 34 0.371 9. 405 0 .588 1 .00 0. .00 c ATOMO 456 H VAL A 34 2.583 10. 084 -0 .999 1 .00 0. .00 H ATOMO 457 HA VAL A 34 3.609 8. 465 1 .221 1 .00 0. ,00 H ATOMO 458 HB VAL A 34 1.207 7. 841 1 .756 1 .00 0. ,00 H ATOMO 459 1HG1 VAL A 34 2.821 9. 601 2 .912 1 .00 0. ,00 H ATOMO 460 2HG1 VAL A 34 1.164 9. 351 3 .460 1 .00 0. ,00 H ATOMO 461 3HG1 VAL A 34 1.549 10. 715 2 .411 1 .00 0. ,00 H ATOMO 462 1HG2 VAL A 34 0.566 10. 450 0 .396 1 .00 0. ,00 H ATOMO 463 2HG2 VAL A 34 -0.558 9. 305 1 .129 1 .00 0. ,00 H ATOMO 464 3HG2 VAL A 34 0.300 8. 874 -0 .350 1 .00 0. ,00 H ATOMO 465 N TYR A 35 2.468 6. 303 0 .170 1 .00 0. .00 N ATOMO 466 CA TYR A 35 2.290 5. 098 -0 .632 1 .00 0. 00 c ATOMO 467 C TYR A 35 0.972 4. 414 -0 .283 1 .00 0. ,00 c ATOMO 468 O TYR A 35 0.727 4. 079 0 .875 1 .00 0. ,00 o ATOMO 469 CB TYR A 35 3.456 4. 132 -0 .414 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4.813 4. 803 -0 .414 1 .00 0. ,00 c ATOMO 471 CD1 TYR A 35 5.588 4. 847 -1 .566 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5.317 5. 393 0 .739 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6.827 5. 459 -1 .570 1 .00 0. ,00 c ATOMO 474 CE2 TYR A 35 6.555 6. 008 0 .743 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7.306 6. 038 -0 .413 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8.538 6. 649 -0 .413 1 .00 0. 00 o ATOMO 477 H TYR A 35 2.491 6. 230 1 .147 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2.265 5. 390 -1 .672 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3.332 3. 636 0 .536 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3.453 3. 395 -1 .202 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 5.210 4. 393 -2 .470 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 4.727 5. 368 1 .643 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 7.415 5. 483 -2 .475 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 6.930 6. 460 1, .649 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8.605 7. 237 -1, .169 1 .00 0. 00 H ATOMO 486 N TYR A 36 0.120 4. 218 -1, .287 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1.177 3. 583 -1. .070 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1.374 2. 380 -1, .988 1 .00 0. 00 c ATOMO 489 O TYR A 36 -0.630 2. 187 -2, .949 1 .00 0. 00 0 ATOMO 490 CB TYR A 36 -2.303 4. 596 -1. .286 1. .00 0. 00 c ATOMO 491 CG TYR A 36 -2.740 5. 294 -0. .019 1, .00 0. 00 c ATOMO 492 CD1 TYR A 36 -1.906 6. 205 0. .619 1, .00 0. 00 c ATOMO 493 CD2 TYR A 36 -3.986 5. 043 0. .541 1. .00 0. 00 c ATOMO 494 CE1 TYR A 36 -2.301 6. 844 1. .778 1. .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4.390 5. 680 1. .700 1, .00 0. 00 c ATOMO 496 CZ TYR A 36 -3.544 6.579 2.314 1.00 0.00 c ATOMO 497 OH TYR A 36 -3. 942 7 .214 3. 469 1 .00 0. 00 0 ATOMO 498 H TYR A 36 0. 365 4 .514 -2. 190 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1. 209 3 .241 -0. 048 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -1. 969 5 .351 -1. 982 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3. 162 4 .088 -1. 700 1 .00 0. 00 H ATOMO 502 HD1 TYR A 36 -0. 934 6 .411 0. 197 1 .00 0.00 H ATOMO 503 HD2 TYR A 36 -4. 647 4 .339 0. 057 1 .00 0. 00 H ATOMO 504 HE1 TYR A 3.6 -1. 639 7 .548 2. 260 1 .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5. 362 5 .471 2. 119 1 .00 0. 00 H ATOMO 506 HH TYR A 36 -4. 232 8 .105 3. 259 1 .00 0. 00 H ATOMO 507 N CYS A 37 -2. 383 1 .573 -1. 675 1.00 0. 00 N ATOMO 508 CA CYS A 37 -2. 690 0 .378 -2. 459 1 .00 0. 00 c ATOMO 509 C CYS A 37 -3. 860 0 .630 -3. 402 1 .00 0. 00 c ATOMO 510 O CYS A 37 -4. 875 1 .206 -3. 010 1 .00 0. 00 0 ATOMO 511 CB CYS A 37 -3. 018 -0 .797 -1. 533 1 .00 0. 00 c ATOMO 512 SG CYS A 37 -1. 550 -1 .612 -0. 827 1 .00 0. 00 S ATOMO 513 H CYS A 37 -2. 929 1 .784 -0. 888 1 .00 0. 00 H ATOMO 514 HA CYS A 37 -1. 819 0 .128 -3. 046 1 .00 0. 00 H ATOMO 515 1HB CYS A 37 -3. 629 -0 .445 -0. 714 1 .00 0. 00 H ATOMO 516 2HB CYS A 37 -3. 569 -1 .541 -2. 084 1 .00 0. 00 H ATOMO 517 N ARG A 38 -3. 706 0 .197 -4. 650 1 .00 0. 00 N ATOMO 518 CA ARG A 38 -4. 744 0 .377 -5. 655 1 .00 0. 00 c ATOMO 519 C ARG A 38 -5. 022 -0 .929 -6. 388 1 .00 0. 00 c ATOMO 520 O ARG A 38 -4. 107 -1 .577 -6. 896 1 .00 0. 00 o ATOMO 521 CB ARG A 38 -4. 332 1 .458 -6. 656 1 .00 0. 00 c ATOMO 522 CG ARG A 38 -4. 084 2 .814 -6. 018 1 .00 0. 00 c ATOMO 523 CD ARG A 38 -5. 388 3 .499 -5. 647 1 .00 0. 00 c ATOMO 524 NE ARG A 38 -5. 306 4 .951 -5. 798 1 .00 0. 00 N ATOMO 525 CZ ARG A 38 -6. 262 5 .799 -5. 415 1 .00 0. 00 c ATOMO 526 NH1 ARG A 38 -7. 380 5 .349 -4. 855 1 .00 0. 00 N ATOMO 527 NH2 ARG A 38 -6. 098 7 .103 -5. 594 1 .00 0. 00 N ATOMO 528 H ARG A 38 -2. 874 -0 .252 -4. 901 1 .00 0. 00 H ATOMO 529 HA ARG A 38 -5. 646 0 .691 -5. 150 1 .00 0. 00 H ATOMO 530 1HB ARG A 38 -3. 425 1 .146 -7. 152 1 .00 0. 00 H ATOMO 531 2HB ARG A 38 -5. 115 1 .568 -7. 392 1 .00 0. 00 H ATOMO 532 1HG ARG A 38 -3. 493 2 .679 -5. 124 1 .00 0. 00 H ATOMO 533 2HG ARG A 38 -3. 546 3 .437 -6. 717 1 .00 0. 00 H ATOMO 534 1HD ARG A 38 -6. 173 3 .124 -6. 287 1 .00 0. 00 H ATOMO 535 2HD ARG A 38 -5. 622 3 .266 -4. 618 1 .00 0. 00 H ATOMO 536 HE ARG A 38 -4. 493 5 .316 -6. 209 1 .00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7. 512 4 .368 -4. 716 1 .00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8. 089 5 .994 -4. 571 1 .00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5. 260 7 .449 -6. 015 1 .00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6. 815 7 .739 -5. 307 1 .00 0. 00 H ATOMO 541 N ALA A 39 -6. 292 -1 .307 -6. 438 1 .00 0. 00 N ATOMO 542 CA ALA A 39 -6. 697 -2 .537 -7. 106 1 .00 0. 00 c ATOMO 543 C ALA A 39 -6. 536 -2 .418 -8. 618 1 .00 0. 00 c ATOMO 544 0 ALA A 39 -7. 058 -3 .294 -9. 339 1 .00 0. 00 0 ATOMO 545 CB ALA A 39 -8. 137 -2 .879 -6. 754 1 .00 0. 00 c ATOMO 546 OXT ALA A 39 -5. 890 -1 .449 -9. 070 1 .00 0. 00 o ATOMO 547 H ALA A 39 -6. 972 -0 .746 -6. 012 1 .00 0. 00 H ATOMO 548 HA ALA A 39 -6. 064 -3 .335 -6. 748 1 .00 0. 00 H ATOMO 549 1HB ALA A 39 -8. 471 -3, .705 -7. 365 1 .00 0. 00 H ATOMO 550 2HB ALA A 39 -8. 766 -2 .020 -6. 935 1 .00 0. 00 H ATOMO 551 3HB ALA A 39 -8. 196 -3. .156 -5. 711 1, .00 0. 00 H TER 552 ALA A 39 END DL MODELO 6 ATOMO 1 N GLY A 1 -1 .163 -16 .098 4 .959 1 .00 0 .00 N ATOMO 2 CA GLY A 1 -0 .537 -14 .954 4 .2.40 1 .00 0 .00 C ATOMO 3 C GLY A 1 -1 .021 -13 .612 4 .755 1 .00 0 .00 C ATOMO 4 0 GLY A 1 -1 .927 -13 .548 5.585 1 .00 0 .00 0 ATOMO 5 1H GLY A 1 -1 .398 -15 .822 5 .933 i-.00 0 .00 H ATOMO 6 2H GLY A 1 -0 .507 -16 .904 4 .987 1 .00 0 .00 H ATOMO 7 3H GLY A 1 -2 .034 -16 .391 4 .472 1 .00 0 .00 H ATOMO 8 1HA GLY A 1 0 .535 -15 .008 4 .362 1 .00 0 .00 H ATOMO 9 2HA GLY A 1 -0 .773 -15 .030 3 .189 1 .00 0 .00 H ATOMO 10 N SER A 2 -0 .415 -12 .538 4 .260 1 .00 0 .00 N ATOMO 11 CA SER A 2 -0 .789 -11 .191 4 .675 1 .00 0 .00 c ATOMO 12 C SER A 2 -0 .555 -10 .189 3 .548 1 .00 0 .00 c ATOMO 13 O SER A 2 0 .418 -10 .296 2 .802 1 .00 0 .00 0 ATOMO 14 CB SER A 2 0 .007 -10 .777 5 .914 1 .00 0 .00 c ATOMO 15 OG SER A 2 -0 .441 -11 .474 7 .064 1 .00 0 .00 0 ATOMO 16 H SER A 2 0 .301 -12 .653 3 .600 1 .00 0 .00 H ATOMO 17 HA SER A 2 -1 .841 -11 .200 4 .920 1 .00 0 .00 H ATOMO 18 1HB SER A 2 1 .052 -10 .999 5 .759 1 .00 0, .00 H ATOMO 19 2HB SER A 2 -0 .115 -9 .716 6 .081 1 .00 0, .00 H ATOMO 20 HG SER A 2 -0 .136 -12 .383 7 .028 1 .00 0 .00 H ATOMO 21 N CYS A . 3 -1 .452 -9 .215 3 .434 1 .00 0 .00 N ATOMO 22 CA CYS A 3 -1 .344 -8 .193 2 .402 1 .00 0 .00 c ATOMO 23 C CYS A 3 -2 .006 -6 .897 2 .855 1 .00 0, .00 c ATOMO 24 O CYS A 3 -2 .725 -6 .870 3 .854 1 .00 0 .00 0 ATOMO 25 CB CYS A 3 -1 .981 -8 .679 1 .097 1 .00 0 .00 c ATOMO 26 SG CYS A 3 -3 .747 -9 .114 1 .240 1 .00 0 .00 s ATOMO 27 H CYS A 3 -2 .203 -9 .181 4 .061 1 .00 0, .00 H ATOMO 28 HA CYS A 3 -0 .294 -8 .006 2 .230 1 .00 0, .00 H ATOMO 29 1HB CYS A 3 -1 .898 -7 .900 0 .353 1 .00 0, .00 H ATOMO 30 2HB CYS A 3 -1 .454 -9 .556 0 .753 1 .00 0, .00 H.

ATOMO 31 N VAL A 4 -1 .762 -5. .827 2 .110 1 .00 0, .00 N ATOMO 32 CA VAL A 4 -2 .330 -4; .528 2 .423 1 .00 0. .00 c ATOMO 33 C VAL A 4 -3 .682 -4 , .349 1 .723 1 .00 0, .00 c ATOMO 34 O VAL A 4 -3 .795 -4, .603 0 .531 1 .00 0. .00 0 ATOMO 35 CB VAL A 4 -1 .371 -3 .407 1 .983 1 .00 0. .00 c ATOMO 36 CG1 VAL A 4 -1 .965 -2, .033 2 .253 1, .00 0. ,00 c ATOMO 37 CG2 VAL A 4 -0 .031 -3. .564 2, .680 1 .00 0. ,00 c ATOMO 38 H VAL A 4 -1 .183 -5. .913 1, .326 1, .00 0. .00 H ATOMO 39 HA VAL A 4 -2 .461 -4. .467 3, .490 1 .00 0. ,00 H ATOMO 40 HB VAL A 4 -1, .209 -3. .502 0. .920 1. .00 0. ,00 H ATOMO 41 1HG1 VAL A 4 -1 .194 -1. .284 2. .161 1, .00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2 .376 -2. .010 3. .249 1. .00 0. ,00 H ATOMO 43 3HG1 VAL A 4 -2 .748 -1. .835 1. .535 1. .00 0. ,00 H ATOMO 44 1HG2 VAL A 4 0, .543 -4. .336 2. .187 1. .00 0. ,00 H ATOMO 45 2HG2 VAL A 4 -0. .193 -3. ,841 3. .712 1. ,00 0. 00 H ATOMO 46 3HG2 VAL A 4 0, .510 -2. ,631 2. .638 1. .00 0. 00 H ATOMO 47 N PRO A 5 -4 , .729 -3. ,900 2. .440 1. ,00 0. 00 N ATOMO 48 CA PRO A 5 -6, .046 -3. ,702 1. .836 1. .00 0. 00 c ATOMO 49 C PRO A 5 -6. .031 -2. 581 0. ,802 1. .00 0. 00 c ATOMO 50 O PRO A 5 -5. .450 -1. Sil 1. 026 1. ,00 0. 00 0 ATOMO 51 CB PRO A 5 -6, .954 -3. 331 3. 017 1. ,00 o. 00 c ATOMO 52 CG PRO A 5 -6. .173 -3. 661 4. 246 1. 00 0. 00 c ATOMO 53 CD PRO A 5 -4. .726 -3. 543 3. 868 1. ,00 0. 00 c ATOMO 54 HA PRO A 5 -6. .406 -4. 611 1. 371 1. 00 0. 00 H ATOMO 55 1HB PRO A 5 -7. .191 -2. 278 2. 973 1. 00 0. 00 H ATOMO 56 2HB PRO A 5 -7.865 -3.908 2.966 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6. 413 -2. 960 5 .032. 1. 00 0. 00 H ATOMO 58 2HG PRO A 5 -6. 396 -4. 670 4 .562 1. 00 0. 00 H ATOMO 59 1HD PRO A 5 -4. 377 -2. ,531 4 .013 1. 00 0. 00 H ATOMO 60 2HD PRO A 5 -4. 129 -4. 236 4 .440 1. 00 0. 00 H ATOMO 61 N VAL A 6 -6. .682 -2. ,816 -0 .333 1. ,00 0. 00 N ATOMO 62 CA VAL A 6 -6. 745 -1. ,823 -1 .387 1. 00 0. 00 c ATOMO 63 C VAL A 6 -7. 379 -0. ,549 -0 .862 1. 00 0. ,00 c ATOMO 64 O VAL A 6 -8. 194 -0. ,584 0 .058 1. 00 0. ,00 o ATOMO 65 CB VAL A 6 -7. 522 -2. .350 -2 .608 1. ,00 0. ,00 c ATOMO 66 CG1 VAL A 6 -7. 626 -1. ,293 -3 .695 1. 00 0. ,00 c ATOMO 67 CG2 VAL A 6 -6. 845 -3. ,598 -3 .143 1. ,00 0. ,00 c ATOMO 68 H VAL A 6 -7. 138 -3. ,669 -0 .459 1. ,00 0. ,00 H ATOMO 69 HA VAL A 6 -5. 733 -1. ,606 -1 .697 1. 00 0. ,00 H ATOMO 70 HB VAL A 6 -8. 519 -2. .614 -2 .291 1. ,00 0.00 H ATOMO 71 1HG1 VAL A 6 -8. 088 -0. ,405 -3 .289 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8. 227 -1. .673. -4 .508 1. ,00 0. ,00 H ATOMO 73 3HG1 VAL A 6 -6. 639 -1. ,053 -4 .058 1. 00 0. 00 H ATOMO 7'4 1HG2 VAL A 6 -5. 789 -3, .556 -2 .913 1. ,00 0. ,00 H ATOMO 75 2HG2 VAL A. 6 -6. 978 -3. ,649 -4 .212 1. ,00 0. ,00 H ATOMO 76 3HG2 VAL A 6 -7. 280 -4. ,470 -2 .680 1. ,00 0. ,00 H ATOMO 77 N ASP A 7 -6. 962 0. ,575 -1 .427 1. 00 0. ,00 N ATOMO 78 CA ASP A 7 -7. 440 1. ,879 -1 .008 1. 00 0. 00 c ATOMO 79 C ASP A 7 -6. 830 2. ,274 0 .339 1. 00 0. 00 c ATOMO 80 O ASP A 7 -7. 182 .3. ,312 0 .897 1. 00 o. 00 o ATOMO 81 CB ASP A 7 -8. 967 1. ,908 -0 .934 1. 00 0. 00 c ATOMO 82 CG ASP A 7 ¦ -9. 618 r. ,372 -2 .193 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -10. 359 0. ,371 -2 .100 1. 00 0. 00 o ATOMO 84 OD2 ASP A 7 -9. 388 1. 954 -3 .274 1. 00 0. 00 o ATOMO 85 H ASP A 7 -6. 293 0. ,529 -2 .125 1. 00 0. 00 H ATOMO 86 HA ASP A' 7 -7. 116 2. 594 -1 .750 1. 00 0. 00 H ATOMO 87 1HB ASP A 7 -9. 293 1. 308 -0 .099 1. 00 0. 00 H ATOMO 88 2HB ASP A 7 -9. 286 2. ,924 -0 .790 1. 00 0. 00 H ATOMO 89 N GL A 8 -5. 898 1. 457 0 .860 1. 00 0. 00 N ATOMO 90 CA GLN A 8 -5. 253 1. ,764 2 .125 1. 00 0. 00 c ATOMO 91 C GLN A 8 -3. 763 2. 016 1 .913 1. 00 0. 00 c ATOMO 92 O GLN A 8 -3. 181 1. 537 0 .940 1. 00 0. 00 o ATOMO 93 CB GLN A 8 -5. 456 0. 630 3 .130 1. 00 0. 00 c ATOMO 94 CG GLN A 8 -6. 901 0. 184 3 .261 1. 00 0. 00 c ATOMO 95 CD GLN A 8 -7. 828 1. 316 3 .662 1. 00 0. 00 c ATOMO 96 OE1 GLN A 8 -8. 222 2. 135 2 .832 1. 00 0. 00 o ATOMO 97 NE2 GLN A 8 -8. 179 1. 367 4 .942 1. 00 0. 00 N ATOMO 98 H GLN A 8 -5. 630 0. 640 0 .382 1. 00 0. 00 H ATOMO 99 HA GLN A 8 -5. 705 2. 663 2 .510 1. 00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 864 -0. 218 2 .823 1. 00 0. 00 H ATOMO 101 2HB GLN A 8 -5. 115 0. 961 4 .101 1. 00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 231 -0. 210 2 .312 1. 00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 958 -0. 590 ,012 1.. 00 0. 00 H ATOMO 104 1HE2 GLN A 8 -7. 827 0. 682 5, .547 1. 00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8. 778 2. 089 5, .229 1. 00 0. 00 H ATOMO 106 N PRO A 9 -3. 120 2. 785 2, .811 1. 00 0. 00 N ATOMO 107 CA PRO A 9 -1. 696 3. 098 2. ,688 1. 00 0. 00 c ATOMO 108 C PRO A 9 -0. 798 1. 879 2. .837 1. 00 0. 00 c ATOMO 109 0 PRO A 9 -1. 043 1. 002 3. .666 1. 00 0. 00 o ATOMO 110 CB PRO A 9 -1. 431 4. 089 3, .819 1. 00 0. 00 c ATOMO 111 CG PRO A 9 -2. 541 3. 883 4. .793 1. 00 0. 00 c ATOMO 112 CD PRO A 9 -3. 727 3. 418 3, ,997 1. 00 0. 00 c ATOMO 113 HA PRO A 9 -1.485 3.574 1.743 1.00 0.00 H ATOMO 114 1HB PRO A 9 -0.470 3 .881 4 .267 1 .00 0 .00 H ATOMO 115 2HB PRO A 9 -1 .434 5 .089 3 .420 1 .00 0 .00 H ATOMO 116 1HG PRO A 9 -2 .259 3 .130 5 .514 1 .00 0 .00 H ATOMO 117 2H6 PRO A 9 -2 .769 4 .810 5 .291 1 .00 0 .00 H ATOMO 118 1HD PRO A 9 -4 .301 2 .703 4 .564 1 .00 0 .00 H ATOMO 119 2HD PRO A 9 -4 .343 4 .257 3 .712 1 .00 0 .00 H ATOMO 120 N CYS A 10 0 .251 1 .850 2 .029 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .217 0 .762 2 .054 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .634 1 .312 2 .174 1 .00 0 .00 c ATOMO 123 0 CYS A 10 2 .835 2 .522 2 .273 1 .00 0 .00 0 ATOMO 124 CB CYS A 10 1 .096 -0 .095 0 .793 1 .00 0 .00 c ATOMO 125 SG CYS A 10 0 .931 0 .861 -0 .751 1 .00 0 .00 S ATOMO 126 H CYS A 10 0 .382 2 .590 1 .402 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1 .006 0 .150 2 .918 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 1 .974 -0 .715 0 .701 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .227 -0 .728 0 .882 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .608 0 .416 2 .164 1 .00 0 .00 N ATOMO 131 CA SER A 11 5 .009 0 .806 2 .272 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .880 -0 .030 1 .340 1 .00 0 .00 c ATOMO 133 0 SER A 11 5 .481 -1 .109 0 .902 1 .00 0 .00 o ATOMO 134 CB SER A 11 5 .493 0 .656 3 .715 1 .00 0 .00 c ATOMO 135 ¦ OG SER A 11 5 .350 1.871 4 .430 1 .00 0 .00 o ATOMO 136 H SER A 11 3 .382 -0 .531 2 .083 1 .00 0 .00 H ATOMO 137 KA SER A 11 5 .086 1 .844 1 .982 1 .00 0 .00 H ATOMO 138 1HB SER A 11 4 .912 -0 .108 4 .210 1 .00 0 .00 H ATOMO 139 2HB SER A 11 6 .534 0 .372 3 .716 1 .00 0 .00 H ATOMO 140 HG SER A 11 5 .818 2 .571 3 .968 1 .00 0 .00 H ATOMO 141 N LEU A 12 7 .073 0 .475 1 .042 1 .00 0 .00 N ATOMO 142 CA LEU A 12 8 .002 -0 .228 0 .160 1 .00 0 .00 c ATOMO 143 C LEU Á 12 8 .719 -1 .369 0 .885 1 .00 0 .00 c ATOMO 144 0 LEU A 12 9 .315 -2 .235 0 .246 1 .00 0 .00 o ATOMO 145 CB LEU A 12 9 .029 0 .743 -0 .432 1 .00 0 .00 c ATOMO 146 CG LEU A 12 9 .604 1 .780 0 .538 1 .00 0 .00 c ATOMO 147 CD1 LEU A 12 10 .134 1 .111 1 .795 1 .00 0 .00 c ATOMO 148 CD2 LEU A 12 10 .701 2 .583 -0 .141 1 .00 0 .00 c ATOMO 149 H LEU A 12 7 .333 1 .338 1 .421 1 .00 0 .00 H ATOMO 150 HA LEU A 12 7 .422 -0 .649 -0 .648 1 .00 0 .00 H ATOMO 151 1HB LEU A 12 9 .850 0 .163 -0 .829 1 .00 0. .00 H ATOMO 152 2HB LEU A 12 8 .561 1 .271 -1 .250 1 .00 0, .00 H ATOMO 153 HG LEU A 12 8 .822 2 .467 0 .828 1 .00 0. .00 H ATOMO 154 1HD1 LEU A 12 10 .881 1 .744 2 .252 1 .00 0. .00 H ATOMO 155 2HD1 LEU A 12 10 .577 0 .160 1 .539 1 .00 0, .00 H ATOMO 156 3HD1 LEU A 12 9 .322 0 .955 2 .490 1 .00 0. .00 H ATOMO 157 1HD2 LEU A 12 10 .292 3 .097 -0 .998 1 .00 0. .00 H ATOMO 158 2HD2 LEU A 12 11. .488 1 .916 -0 .461 1 .00 0. .00 H ATOMO 159 3HD2 LEU A 12 11 .101 3 .304 0 .556 1 .00 0. .00 H ATOMO 160 N ASN A 13 8. .664 -1 .370 2 .218 1 .00 0, ,00 N ATOMO 161 CA ASN A 13 9, .316 -2 .409 3 .006 1 .00 0. .00 c ATOMO 162 C ASN A 13 8, .299 -3 .336 3 .680 1 .00 0. .00 c ATOMO 163 O ASN A 13 8. .665 -4 .143 4 .534 1 .00 0. .00 o ATOMO 164 CB ASN A 13 10. .220 -1 .778. 4 .067 1 .00 0. .00 c ATOMO 165 CG ASN A 13 9. .450 -0 .890 5 .026 1 .00 0. .00 c ATOMO 166 OD1 ASN A 13 8. .874 0 .122 .628 1 .00 0. .00 o ATOMO 167 ND2 ASN A 13 9. .438 -1 .267 6 .300 1 .00 0. ,00 N ATOMO 168 H ASN A 13 8. .181 -0 .660 2, .682 1 .00 0. .00 H ATOMO 169 HA ASN A 13 9. .926 -2 .995 2 .337 1 .00 0. ,00 H ATOMO 170 1HB ASN A 13 10.699 -2.560 4.635 1.00 0.00 H ATOMO 171 2HB ASN A. 13 10.974 -1 .179 3 .578 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 9.918 -2 .086 6 .546 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 8.948 -0 ,713 6 .942 1 .00 0 .00 H ATOMO 174 N THR A 14 7.025 -3 .222 3 .301 1 .00 0 .00 N ATOMO 175 CA THR A 14 5.982 -4 .056 3 .883 1 .00 0 .00 C ATOMO 176 C THR A 14 5.456 -5 .061 2 .864 1 .00 0 .00 c ATOMO 177 0 THR A 14 5.947 -5 .138 1 .738 1 .00 0 .00 0 ATOMO 178 CB THR A 14 4.835 -3 .186 4 .399 1 .00 0 .00 c ATOMO 179 OG1 THR A 14 4.273 -2 .422 3 .347 1 .00 0 .00 o ATOMO 180 CG2 THR A 14 5.257 -2 .225 5 .490 1 .00 0 .00 c ATOMO 181 H THR A 14 6.780 -2 .566 2 .618 1 .00 0 .00 H ATOMO 182 HA THR A 14 6.414 -4 .595 4 .713 1 .00 0 .00 H ATOMO 183 HB THR A 14 4.064 -3 .827 4 .803 1 .00 0 .00 H ATOMO 184 HG1 THR A 14 3.317 -2 .513 3 .359 1 .00 0 .00 H ATOMO 185 1HG2 THR A 14 4.401 -1 .655 5 .818 1 .00 0 .00 H ATOMO 186 2HG2 THR A 14 6.011 -1 .554 5 .107 1 .00 0 .00 H ATOMO 187 3HG2 THR A 14 5.660 -2 .782 6 .324 1 .00 0 .00 H ATOMO 188 N GLN A 15 4.454 -5 .831 3 .272 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3.852 -6 .835 2 .407 1 .00 0 .00 c ATOMO 190 C GLN A 15 3.096 -6 .178 1 .250 1 .00 0 .00 c ATOMO 191 O GLN A 15 2.674 -5 .027 1 .356 1 .00 0 .00 0 ATOMO ¦ 192 CB GLN A 15 2.903 -7 .716 3 .220 1 .00 0 .00 c ATOMO 193 CG GLN A 15 3.559 -8 .361 4 .429 1 .00 0 .00 c ATOMO 194 CD GLN A 15 4.520 -9 .470 4 .049 1 .00 0 .00 c ATOMO 195 OE1 GLN A 15 4.285 -10, .211 3 .094 1 .00 0 .00 o ATOMO 196 NE2 GLN A 15 5.612 -9 .590 4 .796 1 .00 0 .00 N ATOMO 197 H GLN A 15 4.109 -5, .720 4 .181 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4.64 -7, .447 2 .005 1, .00 0, .00 H ATOMO 199 1HB GLN A 15 2.077 -7. .112 3 .565 1, .00 0. .00 H ATOMO 200 2HB GLN A 15 2.523 -8. .498 2 .584 r. .00 0. .00 H ATOMO 201 1HG GLN A 15 4.104 -7. .605 .974 1, .00 0, .00 H ATOMO 202 2HG GLN A 15 2.788 -8. .774 5 .064 1. .00 0. .00 H ATOMO 203 1HE2 GLN A 15 5.734 -8. .963 5, .540 1. .00 0. ,00 H ATOMO 204 2HE2 GLN A 15 6.251 -10. .298 4, .573 1, .00 0. .00 H ATOMO 205 N PRO A 16 2.906 -6. .900 0, .125 1. .00 0. ,00 N ATOMO 206 CA PRO A 16 2.190 . -6. ,363 -1. ,037 1. .00 0. .00 c ATOMO 207 C PRO A 16 0.739 -6. ,031 -0, .708 1. .00 0. .00 c ATOMO 208 O PRO A 16 0.305 -6. ,181. 0. .433 1. .00 0. ,00 o ATOMO 209 CB PRO A 16 2.260 -7. 494 -2. .070 1. .00 0. 00 c ATOMO 210 CG PRO A 16 2.531 -8. 725 -1. .276 1. .00 0. 00 c ATOMO 211 CD PRO A 16 3.361 -8. 285 -0. .105 1. .00 0. 00 c ATOMO 212 HA PRO A 16 2.678 -5. 482 -1. ,429 1. ,00 0. 00 H ATOMO 213 1HB PRO A 16 1.320 -7. 563 -2. ,596 1. ,00 0. 00 H ATOMO 214 2HB PRO A 16 3.057 -7. 295 -2. ,770 1. ,00 0. 00 H ATOMO 215 1HG PRO A 16 1.601 -9. 156 -0. ,935 1. ,00 0. 00 H ATOMO 216 2HG PRO A 16 3.078 -9. 437 -1. ,876. 1. ,00 0. 00 H ATOMO 217 1HD PRO A 16 3.161 -8. 907 0. ,754 1. 00 0. 00 H ATOMO 218 2HD PRO A 16 4.412 -8. 308 -0. 355 1. 00 0. 00 H ATOMO 219 N CYS A 17 -0.006 -5. 580 -1. 711 1. 00 0. 00 N ATOMO 220 CA CYS A 17 -1.406 -5. 227 -1. 517 1. 00 0. 00 c ATOMO 221 C CYS A 17 -2.308 -6. 445 -1. 695 1. 00 0. 00 c ATOMO 222 0 CYS A 17 -1.844 -7. 538 -2. 020 1. 00 0. 00 0 ATOMO 223 CB CYS A 17 -1.821 -4. 121 -2. 487 1. 00 0. 00 c ATOMO 224 SG CYS A 17 -0.785 -2. 624 -2. 400 1. 00 0. 00 S ATOMO 225 H CYS A 17 0.394 -5. 480 -2. 599 1. 00 0. 00 H ATOMO 226 HA CYS A 17 -1.518 -4. 863 -0. 507 1. 00 0. 00 H a a z u o o o w a a a a z o u o u p ó o a á a a z u o o o u o o a a a a z o u o o o o o ro oo cD i oo ln H l CO i o o LO o LO CM lHR HG T ATOMO 284 1HG2 THR A 22 1.687 -0.643 -7.418 1.00 0.00 H ATOMO 285 2HG2 THR A 22 1 .645 -1 .367 -9 .027 1 .00 0.00 H ATOMO 286 3HG2 THR A 22 2 .180 -2 .321 -7 .642 1 .00 0.00 H ATOMO 287 N CYS A 23 1, .195 -0 .972 -4 .803 1 .00 0.00 N ATOMO 288 CA CYS A 23 1 .561 0 .173 -3 .979 1 .00 0.00 c ATOMO 289 C CYS A 23 2 .024 1 .324 -4 .870 1 .00 0.00 c ATOMO 290 0 CYS A 23 3, .059 1 .230 -5 .529 1 .00 0.00 0 ATOMO 291 CB CYS A 23 2, .665 -0 .223 -2 .995 1 .00 0.00 c ATOMO 292 SG CYS A 23 2 .803 0 .864 -1 .539 1 .00 0.00 s ATOMO 293 H CYS A 23 1. .829 -1 .711 -4 .905 1 .00 0.00 H ATOMO 294 HA CYS A 23 0 .686 0 .483 -3 .428 1 .00 0.00 H ATOMO 295 1HB CYS A 23 2 .475 -1 .224 -2 .638 1 .00 0.00 H ATOMO 296 2HB CYS A 23 3 .615 -0 .207 -3 .509 1 .00 0.00 H ATOMO 297 N THR A 24 1 .241 2 .399 -4 .906. 1 .00. 0.00 N ATOMO 298 CA THR A 24 1, .559 3 .550 -5 .738 1 .00 0.00 c ATOMO 299 C THR A 24 1 .722 4 .822 -4 .909 1 .00 0.00 c ATOMO 300 O THR A 24 1 .177 4 .949 -3 .813 1 .00 0.00 0 ATOMO 301 CB THR A 24 0 .463 3 .749 -6 .796 1 .00 0.00 c ATOMO 302 OG1 THR A 24 0 .466 2 .679 -7 .72.4 1 .00 0.00 o ATOMO 303 CG2 THR A 24 0 .600 5 .038 -7 .585 1 .00 0.00 c ATOMO 304 H THR A 24 0, .419 2 .412 -4 .376 1 .00 0.00 H ATOMO 305 HA THR A 24 2 .491 3 .346 -6 .242 1 .00 0.00 H ATOMO 306 HB THR A 24 -0. .498 3 .765 -6 .302 1 .00 0.00 H ATOMO 307 HG1 THR A 24 -0, .146 2 .000 -7 .430 1 .00 0.00 H ATOMO 308 1HG2 THR A 24 0. .478 5 .880 -6 .918 1 .00 0.00 H ATOMO 309 2HG2 THR A 24 -0. .158 5 .075 -8 .351 1 .00 0.00 H ATOMO 310 3HG2 THR A 24 1. ,578 5 .080 -8 .039 1 .00 0.00 H ATOMO 311 N GLN A 25 2. .467 5 .763 -5 .476 1 .00 0.00 N ATOMO 312 CA GLN A 25 2. .712 7, .050 -4 .847 1 .00 0.00 c ATOMO 313 C GLN A 25 1. ,476 7, .941 -4, .967 1, .00 0.00 c ATOMO 314 0 GLN A 25 0. .900 8, .079 -6, .046 1, .00 0.00 0 ATOMO 315 CB GLN A 25 3. .921 7, .720 -5, .508 1, .00 0.00 c ATOMO 316 CG GLN A 25 4. ,162 9. .145 -5 ; .046 1, .00 0.00 c ATOMO 317 CD GLN A 25 5. .541 9. ,655 -5. .415 1, .00 0.00 c ATOMO 318 OE1 GLN A 25 6. .546 9. .236 -4, .840 1, .00 0.00 0 ATOMO 319 NE2 GLN A 25 5. ,598 10, .566 -6. .380 1, .00 0.00 N ATOMO 320. H GLN A 25 2. 850 5. .591 -6, .357 1. .00 0.00 H ATOMO 321 HA GLN A 25 2. 927 6, .884 -3. .802 1. .00 0.00 H ATOMO 322 1HB GLN A 25 4. 804 7, ,140 -5. .286 1, .00 0.00 H ATOMO 323 2HB GLN A 25 3. 770 7, ,732 -6. .577 1. .00 0.00 H ATOMO 324 1HG GLN A 25 3. 423 9. .783 -5. .504 1. .00 0.00 H ATOMO 325 2HG GLN A 25 4. 053 9. 182 -3. ,974 1. ,00 0.00 H ATOMO 326 1HE2 GLN A 25 4. 756 10. ,854 -6. ,794 1. ,00 0.00 H ATOMO 327 2HE2 GLN A 25 6. 476 10. 913 -6. 639 1. .00 0.00 H ATOMO 328 N GLU A 26 1. 080 8. 541 -3. 853 1. .00 0.00 N ATOMO 329 CA GLU A 26 -0. 083 9. 420 -3. 828 1. ,00 0.00 c ATOMO 330 C GLU A 26 0. 117 10. 556 -2. 832 1. ,00 0.00 c ATOMO •331 0 ' GLU A 26 1. 171 10. 667 -2. 204 1. ,00 0.00 0 ATOMO 332 CB GLU A 26 -1. 341 8. 627 -3. 473 1. 00 0.00 c ATOMO 333 CG GLU A 26 -1. 589 7. 441 -4. 392 1. 00 0.00 c ATOMO 334 CD GLU A 26 -2. 917 6. 760 -4. 121 1. 00 0.00 c ATOMO 335 OE1 GLU A 26 -3. 404 6. 035 -5. 014 1. 00 0.00 0 ATOMO 336 OE2 GLU A 26 -3. 470 6. 953 -3. 018 1. 00 0.00 o ATOMO 337 H GLU A 26 1. 583 8. 389 -3. 027 1. 00 0.00 H ATOMO 338 HA GLU A 26 -0. 202 9. 841 -4. 815 1. 00 0.00 H ATOMO 339 1HB GLU A 26 -1. 250 8. 261 -2. 462 1. 00 0.00 H ATOMO 340 2HB GLU A 26 -2. 195 9. 283 -3. 532 1. 00 0.00 H ATOMO 341 1HG GLU A 26 -1.581 7.786 -5.415 1.00 0.00 H ATOMO 342 2HG GLU A 26 -0. 796 6. 722 -4 .250 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0. 898 11. 400 -2 .695 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0. 834 12. 534 -1 .779 1 .00 0. 00 C ATOMO 345 C ARG A 27 -1. 802 12. 352 -0 .613 1 .00 0. 00 c ATOMO 346 0 ARG A 27 -2. 880 11. 780 -0 .771 1 .00 0. 00 o ATOMO 347 CB ARG A 27 -1. 155 13. 829 -2 .525 1 .00 0. 00 c ATOMO 348 CG ARG A 27 -0. 072 14. 252 -3 .504 1 .00 0. 00 c ATOMO 349 CD ARG A 27 0. 974 15. 128 -2 .835 1 .00 0. 00 c ATOMO 350 NE ARG A 27 1. 972 15. 612 -3 .788 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 3. 151 16. 129 -3 .437 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 3. 491 16. 236 -2 .157 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 3. 995 16. 542 -4 .373 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1.. 709 11. 261 -3 .225 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0. 172 12. 592 -1 .392 i .00 0. 00 H ATOMO 356 1HB ARG A 27 -2. 075 13. 696 -3 .075 1 .00 0. 00 H ATOMO 357 2HB ARG A 27. -1. 288 14. 621 -1 .805 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0. 410 13. 368 -3 .896 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0. 528 14. 804 -4 .314 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 0. 480 15. 976 -2 .385 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 1. 471 14. 552 -2 .069 1 .00 0. 00 H ATOMO 362 HE ARG A 27 1. 754 15. 549 -4 .741 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 2. 862 15. 926 -1 .444 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 4. 377 16. 624 -1 .907 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 3. 747 16. 466 -5 .339 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 4. 878 16. 931 -4 .114 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1. 407 12. 844 0 .558 1 .00 0. 00 N ATOMO 368 CA AS A 28 -2. 238 12. 736 1 .751 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2. ,838 14 089 2 .123 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2. 690 15. 067 1 .392 1 .00 0. 00 o ATOMO 371 CB ASN A 28 -1. 416 12. 189 2 .921 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0. 282 13. 112 3 .320 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0. 031 14. 123 2 .666 1 .00 0. 00 o ATOMO 374 ND2 ASN A 28 0. .410 12. 767 4 .400 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0. 536 13. 288 0 .621 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -3. 041 12. 048 1 .535 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2 . 061 12. 052 3 .775 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0. 995 11. 238 2 .638 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 0. 154 11. 948 4 .872 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 1. 150 13. 347 4 .680 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3. 514 14. 135 3 .268 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4. ,134 15. 368 3 .738 1 .00 0. 00 c ATOMO 383 C GLU A 29 -3. 075 16. 397 4 .117 1 .00 0. 00 c ATOMO 384 O GLU A 29 -3. 289 17·. 602 3 .980 1 .00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 038 15. 081 4 .940 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -6. 468 14. 737 4 .558 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -7. ,241 15. 941 4 .054 1 .00 0. 00 c ATOMO 388 OE1 GLU A 29 -8. 485 15. 937 4 .169 1 .00 0. 00 o ATOMO 389 OE2 GLU A 29 -6. 605 16. 886 3 .545 1 .00 0. 00 o ATOMO 390 H GLU A 29 -3. 596 13. 322 3 .808 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -4. 735 15. 765 2 .934 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -4. 626 14. 251 5 .494 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5. 057 15. 954 5 .576 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -6. 449 13. 990 3 .779 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -6. 973 14. 340 5 .425 1 .00 0. 00 H ATOMO 396 N ASN A 30 -1. 932 15. 915 4 .595 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -0. 841 16. 795 4 .993 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0.171 17.422 3.773 1.00 0.00 C ATOMO 399 0 ASN A 30 0 .355 18 .532 3 .846 1 .00 0 .00 0 ATOMO 400 CB ASN A 30 0 .192 16 .023 5 .816 i .00 0 .00 C ATOMO 401 CG ASN A 30 -0 .338 15 .623 7 :179 1 .00 0 .00 c ATOMO 402 OD1 ASN A 30 -0 .309 16 .411 8 .125 1 .00 0 .00 0 ATOMO 403 ND2 ASN A 30 -0 .824 14 .392 7 .288 1 .00 0 .00 N ATOMO 404 H ASN A 30 -1 .821 14 .945 4 .681 1 .00 0 .00 H ATOMO 405 HA ASN A 30 -1 .256 17 .583 5 .603 1 .00 0 .00 H ATOMO 406 1HB ASN A 30 0 .470 15 .126 5 .283 1 .00 0 .00 H ATOMO 407 2HB ASN A 30 1 .067 16 .639 5 .955 1 .00 0 .00 H ATOMO 408 1HD2 ASN A 30 -0 .815 13 .819 6 .494 1 .00 0 .00 H ATOMO 409 2HD2 ASN A 30 -1 .174 14 .108 8 .159 1 .00 0 .00 H ATOMO 410 N GLY A 31 -0 .196 16 .705 2 .654 1 .00 0 .00 N ATOMO 411 CA GLY A 31 0 .412 17 .213 1 .437 1 .00 0 .00 C ATOMO 412 C GLY A 31 1 .774 16 .603 1 .147 1 .00 0 .00 c ATOMO 413 O GLY Á 31 2 .513 17 .106 0 .301 1 .00 0 .00 0 ATOMO 414 H GLY A 31 -0 .629 15 .823 2 .653 1 .00 0 .00 H ATOMO 415 1HA GLY A 31 -0 .246 17 .001 0 .606 1 .00 0 .00 H ATOMO 416 2HA GLY A 31 0 .523 18 .284 1 .526 1 .00 0 .00 H ATOMO 417 N HIS A 32 2 .108 15 .516 1 .840. 1 .00 0 .00 N ATOMO 418 CA HIS A 32 3 .387 14 .847 1 .637 1 .00 0 .00 c ATOMO 419 C HIS A 32 3 .202 13 .594 0 .786 1 .00 0 .00 c ATOMO 420 0 HIS A 32 2 .112 13 .024 0 .736 1' .00 0, .00 0 ATOMO 421 CB HIS A 32 4 .018 14 .488 2 .989 1. .00 0, .00 c ATOMO 422 CG HIS A 32 5 .319 15 .182 3 .243 1 .00 0, .00 c ATOMO 423 ND1 HIS A 32 6 .420 14 .546 3 .778 1 .00 0, .00 N ATOMO 424 CD2 HIS A 32 5 .695 16 .467 3 .034 1 .00 0, .00 c ATOMO 425 CE1 HIS A 32 7 .415 15 .409 3 .887. 1 .00 0, .00 c ATOMO 426 ME2 HIS A 32 7 .000 16 .580 3 .442 1 .00 0, .00 N ATOMO 427 H HIS A 32 1, .482 15 .153 2 .498 1 .00 0, .00 H ATOMO 428 HA HIS. A 32 4, .039 15 .530 1 .114 1 .00 0. .00 H ATOMO 429 1HB HIS A 32 3, .336. 14 .764 3 .778 1 .00 0. .00, H.

ATOMO .430 2HB HIS A 32 4, .195 13 .422 3 .030 1 .00 0. .00 H ATOMO 431 HD1 HIS A 32 6. .465 13 .603 .041 1 .00 0. .00 H ATOMO 432 HD2 HIS A 32 5. .081 17 .255 2 .622 1 .00 0. .00 H ATOMO 433 HE1 HIS A 32 8. .400 15 .192 4, .275 1, .00 0. .00 H ATOMO 434 HE2 HIS A . 32 7, .562 17 .377 3, .342 1 .00 0. .00 H ATOMO 435 N THR A 33 4. .269. 13 .168 0, .117 1, .00 0. .00 N ATOMO 436 CA THR A 33 4. .205 11 .982 -0 .728 1, .00 0. .00 c ATOMO 437 C THR A 33 4. .010 10 .727 0, .113 1. .00 0. .00 c ATOMO 438 0 THR A 33 4. .739 10, .489 1, ,075 1. .00 0. ,00 o ATOMO 439 CB THR A 33 5. .474 11 .848 -1, .571 1. .00 0. ,00 c ATOMO 440 OG1 THR A 33 5. .690 13, .017 -2 .343 1. ,00 0. ,00 o ATOMO 441 CG2 THR A 33 5. .434 10, .669 -2, .520 1. .00 0. ,00 c ATOMO 442 H THR A 33 5. .112 13, .660 0, .193 1. .00 0. ,00 H ATOMO 443 HA THR A 33 3. ,358 12 .093 -1, .387 1. .00 0. 00 H ATOMO 444 HB THR A 33 6. .321 11 .715 -0, .912 1. .00 0. 00 H ATOMO 445 HG1 THR A 33 6. .625 13, .101 -2. .542 1. .00 0. 00 H ATOMO 446 1HG2 THR A 33 6. ,437 10, .425 -2. .837 1. ,00 0. 00 H ATOMO 447 2HG2 THR A 33 4. ,836 10 .922 -3. .383 1. .00 0. 00 H ATOMO 448 3HG2 THR A 33 4. ,997 9, .817 -2. .018 1. .00 0. 00 H ATOMO 449 N VAL A 34 3. ,020 9, .927 -0. .262 1. ,00 0. 00 N ATOMO 450 CA VAL A 34 2. 722 8. .692 0. ,449 1. ,00 0. 00 c ATOMO 451 C VAL A 34 2. 514 7. .543 -0. ,527 1. 00 0. 00 c ATOMO 452 0 VAL A 34 2. 486 7, .743 -1. ,739 1. 00 0. 00 0 ATOMO 453 CB VAL A 34 1. 468 8. ,840 1. ,330 1. 00 0. 00 c ATOMO 454 CG1 VAL A 34 1. 712 9. .850 2. .441 1. ,00 0. 00 c ATOMO 455 CG2 VAL A 34 0.266 9.243 0.489 1.00 0.00 C ATOMO 456 H VAL. A 34 2 .476 10 .171 -1 .040 1 .00 0.· 00 H ATOMO 457 HA VAL A 34 3 .561 .8 .460 1 .087 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1 .256 7 .883 1 .785 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2 .412 10 .598 2 .099 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2 .117 9 .345 3 .305 1 .00 0. 00 H ATOMO 461' 3HG1 VAL A 34 0 .779 10 .325 2 .706 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .469 10 .183 -0 .001 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .600 9 .347 1 .125 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0 .076 8 .483 -0 .255 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .370 6 .339 0 .009 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .164 5 .155 -0 .817 1 .00 0. .00 C ATOMO 467 C TYR A 35 0 .847 4 .475 -0 .457 1 .00 0. 00 C ATOMO 468 0 TYR A 35 0 .602 4 .155 0 .705 1 .00 0. 00 0 ATOMO 469 CB TYR A 35 3 .327 4 .174 -0 .646 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4 .687 4 .837 -0 .608 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5 .377 5 .118 -1 .781 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5 .278 5 .183 0 .600 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6 .619 5 .723 -1 .750 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6 .520 5 .790 0 .639 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7 .185 6 .057 -0 .538 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8 .422 6 .660 -0 .503 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2 .404 6 .245 0 .984 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2 .120 5 .472 -1 .848 1 .00 0. ,00 H ATOMO 479 1HB TYR A 35 3 .197 3 .631 0 .278 1 .00 0. ,00 H ATOMO 480 2HB TYR A 35 3 .321 3 .478 -1 .470 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 4 .931 .4 .854 -2 .728 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 4 .755 4 .971 1 .521 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 7 .140 5 .933 -2 .673 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 6 .963 6 .051 1 .588 1 .00 0. 00 H ATOMO 485 HH TYR A 35 9 .107 5 .989 -0 .542 1 .00 0. 00 H ATOMO 486 N TYR A 36 -0 .003 4 .263 -1 .460 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1 .299 3 .628 -1 .239 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1 .474 2 .397 -2 .122 1 .00 0. 00 c ATOMO 489 O TYR A 36 -0 .723 2 .188 -3 .075 1 .00 0. 00 0 ATOMO 490 CB TYR A 36 -2 .429 4 .625 -1 .507 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2 .885 5 .372 -0 .273 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -2 .054 6 .295 0, .350 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -4 .145 5 .153 0, .267 1 .00 0. 00 c ATOMO 494 CE1 TYR A 36 -2 .468 6 .978 1, .477 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .566 •5 .833 1. .395 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3 .724 6 .744 1, .996 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -4 .140 7. .423 3. .118 1 .00 0. 00 o ATOMO 498 H TYR A 36 0 .243 4. .547 -2. .366 1, .00 0. 00 H ATOMO 499 HA TYR A 36 -1 .344 3. .319 -0, .207 1, .00 0. 00 H ATOMO 500 1HB TYR A 36 -2 .092 5, .354 -2. .229 1, .00 0. 00 H ATOMO 501 2HB TYR A 36 -3 .281 4. .096 -1. .908 1, .00 0. 00 H ATOMO 502 HD1 TYR A 36 -1 .072 6. .477 -0. ,058 1, .00 0. 00 H ATOMO 503 HD2 TY A 36 -4 .801 4. .437 -0. ,205 1, .00 0. 00 H ATOMO 504 HE1 TYR A 36 -1 .808 7. .693 1. ,948 1. .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5 .550 5. .649 1. ,800 1, .00 0. 00 H ATOMO 506 HH TYR A 36 - .282 6. .801 3. .835 1. .00 0. 00 H ATOMO 507 N CYS A 37 -2 .473 1. .584 -1. ,792 1. .00 0. 00 N ATOMO 508 CA CYS A 37 -2 .757 0. .365 -2. 548 1. ,00 0. 00 c ATOMO 509 C CYS A 37 -3 .925 0. .579 -3. 502 1. .00 0. 00 c ATOMO 510 o CYS A 37 -4 .954 1. .143 -3. ,127 1. ,00 0. 00 0 ATOMO 511 CB CYS A 37 -3 .071 -0. .792 -1. .595 1, .00 0. 00 c ATOMO 512 SG CYS A 37 -1.593 -1.565 -0.867 1.00 0.00 s ATOMO 513 H CYS A 37 -3. 027 1 .807 -1 .015 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1. 879 0 .116 -3 .125 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3. 691 -0 .430 -0 .788 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3. 608 -1 .557 -2 .132 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3. 754 0 .129 -4 .741 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4. 787 0 .273 -5 .757 1 .00 0 .00 C ATOMO 519 C ARG A 38 -5. 037 -1 .051 -6 .467 1 .00 0 .00 c ATOMO 520 0 ARG A 38 -4. 108 -1 .693 -6 .957 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4. 382 1 .343 -6 .7.72 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -4. 201 2 .721 -6 .160 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5. 537 3 .410 -5 .938 1 .00 0 .00 c ATOMO 524 NE ARG A 38 -5. 456 4 .849 -6 .184 1 .00 0 .00 N ATOMO 525 CZ ARG A 38 -6. 474 5 .694 -6 .017 1 .00 0 .00 c ATOMO 526 NH1 ARG A 38 -7. 658 5 .256 -5 .605 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -6. 305 6 .986 -6 .265 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2. 911 -0 .308 -4 .979 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5. 697 0 .582 -5 .265 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3. 450 1 .052 -7 .233 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5. 145 1 .408 -7 .533 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3. 697 2 .620 -5 .211 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3. 601 3 .324 -6 .826 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6. 265 2 .979 -6 .609 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5. 848 3 .244 -4 .917 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4. 597. 5 .205 -6.489 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7. 796 4 .284 -5 .415 1 .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -8. 414 5 .899 -5 .483 1 .00 0 .00 H ATOMO 539 1HH2 ARG Á 38 -5. 417 7 .324 -6 .575 1 .00 .0 .00 H ATOMO 540 2HH2 ARG A 38 -7. 066 7 .622 -6 .141 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6. 301 -1 .452 -6 .517 1 .00 0 .00 N ATOMO 542 CA ALA A 39 -6. 683 -2 .700 -7 .167 1 .00 0 .00 c ATOMO 543 C ALA A 39 -6. 547 -2 .593 -8 .681 1 .00 0 .00 c ATOMO 544 O ALA A 39 -5. 590 -3 .179 -9 .231 1 .00 0 .00 0 ATOMO 545 CB ALA A 39 -8. 107 -3 .077 -6 .789 1 ,00 0 .00 c ATOMO 546 OXT ALA A 39 -7. 399 -1 .927 -9 .307 1 .00 0 .00 o ATOMO 547 H ALA A 39 -6. 993 -0, .893 -6 .107 1 .00 0 .00 H ATOMO 548 HA ALA A 39 -6. 022 -3 .476 -6 .810 1 .00 0 .00 H ATOMO 549 1HB ALA A 39 -8. 100 -3 .625 -5 .858 1 .00 0 .00 H ATOMO 550 2HB ALA A 39 -8. 533 -3, .695 -7 .565 .1 .00 0 .00 H ATOMO 551 3HB ALA A 39 -8. 699 -2 .182 -6 .676 1 .00 0 .00 H TE 552 ALA A 39 ENDMDL ODELO 7 ATOMO 1 N GLY A 1 0. 096 -16, .079 4 .796 1 .00 0 .00 N ATOMO 2 CA GLY A 1 0. 583 -14. .801 4, .207 1 .00 0. .00 c ATOMO 3 C GLY A 1 -0. 350 -13. .639 4. .490 1 .00 0. .00 c ATOMO 4 O GLY A 1 -1. 522 -13, .838 4, .806 1 .00 0, .00 0 ATOMO 5 1H GLY A i 0. 747 -16. .854 4. .557 1 .00 0, .00 H ATOMO 6 2H GLY A 1 -0. 848 -16. .308 4, .425 1 .00 0. .00 H ATOMO 7 3H GLY A 1 0. 038 -15. .996 5, .832 1 .00 0. .00 H ATOMO 8 IRA GLY A 1 1. 556 -14, ,576 4. .617 1 .00 0. .00 H ATOMO 9 2HA GLY A 1 0. 674 -14. .923 3. .137 1 .00 0, .00 H ATOMO 10 N SER A 2 0. 173 -12. ,423 4, ,376 1 .00 0. ,00 N ATOMO 11 CA SER A 2 -0. 619 -11. ,223 4. ,623 1 .00 0. ,00 c ATOMO 12 C SER A 2 -0. 439 -10. ,212 3. .496 1, .00 0. .00 c ATOMO 13 O SER A 2 0. 544 -10. .258 2. .757 1 .00 0. .00 0 ATOMO 14 CB SER A 2 -0. 224 -10. ,592 5. .959 1 .00 0. .00 c ATOMO 15 OG SER A 2 1.046 -9.970 5,.873 1..00 0.00 0 ATOMO 16 H SER A 2 1 .115 -12 .329 4. ,122 1. ,00 0 .00 H ATOMO 17 HA SER A 2 -1 .658 -11 .515 4. .665 1. .00 0 .00 H ATOMO 18 1HB SER A 2 -0 .957 -9 .847 6. ,233 1. ,00 0 .00 H ATOMO 19 2HB SER A 2 -0 .187 -11.357 6. ,719 1. ,00 0 .00 H ATOMO 20 HG SER A 2 0 .955 -9 .029 6, ,033 1. ,00 0 .00 H ATOMO 21 N CYS A 3 -1 .394 -9 .296 3. ,371 1. ,00 0 .00 N ATOMO 22 CA CYS A 3 -1 .339 -8 .272 2, .336 1. .00 0 .00 c ATOMO 23 C CYS A 3 -2 .031 -6 .995 2. .800 1. ,00 0 .00 c ATOMO 24 O CYS A 3 -2 .760 -6 .994 3. .792 1. ,00 0 .00 o ATOMO 25 CB CYS A 3 -1 .988 -8 .778 1. .044 1. ,00 0 .00 c ATOMO 26 SG CYS A 3 -3 .750 -9 .219 1. ,207 1. ,00 0 .00 s ATOMO 27 H CYS A 3 -2 .153 -9 .307 3. .991 1. .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .300 -8 .053 2. ,143 1. .00 0 .00 H ATOMO 29 1HB CYS A 3 -1 .913 -8 .011 0. .289 1, ,00 0 .00 H ATOMO 30 2HB CYS A 3 -1 .460 -9 .658 0. ,707 1. .00 0 .00 H ATOMO 31 N VAL A 4 -1 .796 -5 .910 2. .072 1, .00 0 .00 N ATOMO 32 CA VAL A 4 -2 .390 -4 .624 2. ,395 1. .00 0 .00 c ATOMO 33 C VAL A 4 -3 .733 -4 .454 1. .678 1. ,00 0 .00 c ATOMO 34 0 VAL A 4 -3 .824 -4 .685 0. .478 1. ,00. 0 .00 0 ATOMO 35 CB VAL A 4 -1 .441 -3 .483 . 1. ,986 1. ,00 0 .00 c ATOMO 36 CG1 VAL A 4 -2 .060 -2 .122 2. ,266 1. ,00 0 .00 c ATOMO 37 CG2 VAL A 4 -0 .108 -3 .628 2. ,701 1. ,00 0 .00 c ATOMO 38 H VAL A 4 -1 .208 -5 .975 1. .293 1. .00 0 .00 H ATOMO. 39 HA VAL A 4 -2 .537 -4 .581 3. .461 1. ,00 0 .00 H ATOMO 40 HB VAL A 4 -1 .262 -3 .562 0. .924 1. 00 0, .00 H ATOMO 41 1HG1 VAL A 4 -1 .302 -1 .360 2. ,195 1. ,00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2 .487 -2 .119 3. 256 1. ,00 0, .00 H ATOMO 43 3HG1 VAL A 4 -2 .836 -1 .928. 1. 539 1. 00 0 .00 H ATOMO 44 1HG2 VAL A 4 0 .068 -4 .671 2. 923 1. 00 0, .00 H ATOMO 45 2HG2 VAL A 4 -0 .132 -3 .064 3. 621 1. ,00 0, .00 H ATOMO 46 3HG2 VAL A 4 0 .683 -3 .255 2. 069 1. 00 0, .00 H ATOMO 47 N PRO A 5 -4 .799 -4 .036 2. 388 1. 00 0. .00 N ATOMO 48 CA PRO A 5 -6 .109 -3 .844 1. 765 1. 00 0, .00 c ATOMO 49 C PRO A 5 -6 .096 -2 .701 0. 755 1. 00 0. .00 c ATOMO 50 0 PRO A 5 -5 .529 -1 .632 1. 009 1. 00 0, .00 o ATOMO 51 CB PRO A 5 -7 .041 -3 .511 2. 940 1. 00 0. .00 c ATOMO 52 CG PRO A 5 -6 .273 -3. .854 4. 174 1. 00 0. .00 c ATOMO 53 CD PRO A 5 -4 .822 -3 :706 3. 821 1. 00 0. .00 c ATOMO 54 HA PRO A 5 -6 .448 -4\ .749 1. 276 1. 00 0. .00 H ATOMO 55 1HB PRO A 5 -7 .295 -2 .462 2. 914 1. 00 0. .00 H ATOMO 56 2HB PRO A 5 -7 .942 -4. .102 2. 863 1. 00 0. ,00 H ATOMO 57 1HG PRO A 5 -6 .536 -3 .172 4. 970 1. 00 0. .00 H ATOMO 58 2HG PRO A 5 -6 .486 -4, .871 4. 468 1. 00 0. .00 H ATOMO 59 1HD PRO A 5 -4 .492 -2, .691 3. 991 1. 00 0. ,00 H ATOMO 60 2HD PRO A 5 -4 .224 -4. .400 4. 389 1. 00 0. ,00 H ATOMO 61 N VAL A 6 -6 .734 -2 .918 -0. 391 1. 00 0. ,00 N ATOMO 62 CA VAL A 6 -6 .797 -1 .902 -1. 423 1. 00 0. ,00 c ATOMO 63 C VAL A 6 -7 444 -0. .644 -0. 871 1. 00 0. 00 c ATOMO 64 0 VAL A 6 -8 .264 -0, .708 0. 043 1. 00 0. ,00 o ATOMO 65 CB VAL A 6 -7 .564 -2. . 04 -2. 661 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7 .677 -1. .321 -3? 722 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6 .872 -3. .630 -3. 226 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7. .180 -3. .772 -0. 540 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5 .784 -1, .669 -1. 721 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8, .560 -2. .687 -2. 355 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8. .273 -0. .506 -3. 338 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8.148 -1.728 -4.602 1.00 0.00 H ATOMO 73 3HG1 VAL A 6 -6 .691 -0 .959 -3 .971 1 .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5 .819 -3 .590 -2 .983 1 .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -6 .993 -3 .650 -4 .298 1 .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7 .306 -4 .519 -2 .797 1 .00 0. 00 H ATOMO 77 N ASP A 7 -7 ,037 0 .497 -1 .408 1 .00 0. 00 N ATOMO 78 CA ASP A 7 -7 .529 1 .785 -0 .961 1 .00 0. 00 C ATOMO 79 C ASP A 7 -6 .928 2 .153 0 .398 1 .00 0. .00 C ATOMO 80 0 ASP A 7 -7 .294 3 .174 0 .980 1 .00 0. .00 0 ATOMO 81 CB ASP A 7 -9 .056 1 .796 -0 .892 1 .00 0. 00 C ATOMO 82 CG ASP Á 7 -9 .696 1 .268 -2 .161 1 .00 0. ,00 C ATOMO 83 OD1 ASP A 7 -10 .181 0 .117 -2 .147 1 .00 0. 00 0 ATOMO 84 0D2 ASP A 7 -9 .713 2 .005 -3 .169 1 .00 0. 00 o ATOMO 85 H ASP A 7 -6 .363 0 .474 -2 .104 1 .00 0. 00 H ATOMO 86 HA ASP A 7 -7 .208 2 .521 -1 .684 1 .00 0. 00 H ATOMO 87 1HB ASP A 7 -9 .378 1 .181 -0 .067 1 .00 0. 00 H ATOMO 88 2HB ASP A 7 -9 .388 2 .807 -0 .738 1 .00 0. 00 H ATOMO 89 N GLN A 8 -5 .989 1 .333 0 .903 1 .00 0. 00 N ATOMO 90 CA GLN A 8 -5 .353 1 .617 2 .178 1 .00 0. 00 C ATOMO 91 C GLN A 8 -3 .864 1 .884 1 .977 1 .00 0. 00 c ATOMO 92 0 GLN A 8 -3 .274 1 .428 0 .998 1 .00 0. 00 o ATOMO 93 CB GLN A 8 -5 .550 0 .460 3 .158 1 .00 0. 00 c ATOMO 94 CG GLN A 8 -6 .998 0 .018 3 .294 1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7 .901 1 .131 3 .790 1 .00 0. 00 c ATOMO 96 OE1 GLN A 8 -7 .482 1 .984 4 .571 1 .00 0. 00 o ATOMO 97 NE2 GLN A 8 -9 .149 1 .126 3 .337 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5 .711 0 .532 0 .406 1 .00 0. 00 H ATOMO 99 HA GLN A 8 -5 .812 2 .504 2 .581 1 .00 0. 00 H ATOMO 100 1HB GLN A 8 -4 .967 -P .384 2 .823 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -5 .198 0 .765 4 .132 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7 .353 -0 .310 2 .329 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -7 .045 -0 .803 3 .994 1 .00 0. 00 H ATOMO 104 1HE2 GLN A 8 -9 .414 0 .415 2 .716 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9 .755 1 .834 3 .641 1 .00 0. 00 H ATOMO 106 N PRO A 9 -3 .230 2 .639 2 .893 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1 .808 2 .965 2 .783 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0 .901 1 .751 2 .913 1 .00 0. 00 c ATOMO 109 o PRO A 9 -1 .143 0 .856 3 .723 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1 .558 3 .937 3 .936 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2, .668 3 .694 4 .902 1. .00 0. 00 c ATOMO 112 CD PRO A 9 -3. .847 3 .245 .0B9 1. .00 0. 00 c ATOMO 113 HA PRO A 9 -1, .596 3 .462 1 .849 1, .00 0. 00 H ATOMO 114 1HB PRO A 9 -0. .595 3 .729 4, .382 1, .00 0. 00 H ATOMO 115 2HB PRO A 9 -1. .571 4 .944 3 .558 1, .00 0. 00 H ATOMO 116 1HG PRO A 9 -2. .383 2 .924 5 .602 1. .00 0. 00 H ATOMO 117 2HG PRO A 9 -2. .904 4 .606 5 .425 1. .00 0. 00 H ATOMO 118 1HD PRO A 9 -4. .424 2 .516 4 .636 1, .00 0. 00 H ATOMO 119 2HD PRO A 9 -4, .464 .088 3 .816 1. .00 0. 00 H ATOMO 120 N CYS A 10 0. .154 1 .749 2, .114 1, .00 0. 00 N ATOMO 121 CA CYS A 10 1. .132 0 .6b9 2. .126 1, .00 0. 00 c ATOMO 122 C CYS A 10 2. .542 1 .234 2, .245 1. .00 0. 00 c ATOMO 123 0 CYS A 10 2. .729 2 .445 2, .356 1, .00 0. 00 0 ATOMO 124 CB CYS A 10 1. .015 -0 .179 0, .858 1. .00 0. 00 c ATOMO 125 SG CYS A 10 0. .861 0 .788 -0. .678 1, .00 0. 00 S ATOMO 126 H CYS A 10 0. .283 2 .503 1. .503 1. .00 0. 00 H ATOMO 127 HA CYS A 10 0. .930 0 .049 2. .986 1. .00 0. 00 H ATOMO 128 1HB CYS A 10 1. .890 -0, .802 0. .767 1. .00 0. 00 H ATOMO 129 2HB CYS A 10 0..143 -0.809 0.940 1.00 0.00 H ATOMO 130 N SER A 11 3. .528 0 .349 2 .222 1 .00 0.00 N ATOMO 131 CA SER A 11 4, .923 0 .758 2 .326 1 .00 0.00 c ATOMO 132 C SER A 11 5. ,795 -0 .022 1 .349 1 .00 0.00 c ATOMO 133 0 SER A 11 5. .463 -1 .142 0 .959 1 .00 0.00 0 ATOMO 134 CB SER A 11 5, .432 0 .560 3 .755 1 .00 0.00 c ATOMO 135 OG SER A 11 6. .223 1 .660 4 .172 1 .00 0.00 0 ATOMO 136 H SER A 11 3. .312 -0 .600 2 .131 1 .00 0.00 H ATOMO 137 HA SER A 11 4. .979 1 .807 2 .077 1 .00 0.00 H ATOMO 138 1HB SER A 11 4. .591 0 .466 4 .424 1 .00 0.00 H ATOMO 139 2HB SER A 11 6, .032 -0 .337 3 .803 1 .00 0.00 H ATOMO 140 HG SER A 11 6. .107 1 .800 5 .115 1 .00 0.00 H ATOMO 141 N LEU A 12 6. .911 0 .580 0 .958 1 .00 0.00 N ATOMO 142 CA LEU A 12 7. .838 -0 .051 0 .024 1 .00 0.00 c ATOMO 143 C LEU A 12 8. .579 -1 .220 0 .673 1 .00 0.00 c ATOMO 144 0 LEU A 12 9. .066 -2 .114 -0 .020 1 .00 0.00 0 ATOMO 145 CB LEU A 12 8. .842 0 .972 -0 .524 1 .00 0.00 c ATOMO 146 CG LEU A 12 9. .585 1 .813 0 .523 1 .00 0.00 c ATOMO 147 CD1 LEU A 12 10. .514 0 .944 1 .357 1 .00 0.00 c ATOMO 148 CD2 LEU A 12 lo. .367 2 .928 -0 .159 1 .00 0.00 c ATOMO 149 H LEU A 12 7. .113 1 .471 1 .306 1 .00 0.00 H ATOMO 150 HA. LEU A 12 7. .254 -0 .435 -0 .800 1 .00 0.00 H ATOMO 151 1HB LEU A 12 9. ,577 0 .441 -1 .109 1 .00 0.00 H ATOMO 152 2HB LEU A 12 8. ,310 1 .647 -1 .178 1 .00 0.00 H ATOMO 153 HG LEU A 12 8. ,871 2 .270 1 .189 1 .00 0.00 H ATOMO 154 1HD1 LEU A 12 11. ,423 1 .485 1 .570 1 .00 0.00 H ATOMO 155 2HD1 LEU A 12 10. ,750 0 .043 0 .811 1 .00 0.00 H ATOMO 156 3HD1 LEU A 12 10. ,025 0 .684 2 .285 1 .00 0.00 H ATOMO 157 1HD2 LEU A 12 10. ,770 2 .565 -1 .093 1 .00 0.00 H ATOMO 158 2HD2 LEU A 12 11. 176 3 .246 0 .483 1 .00 0.00 H ATOMO 159 3HD2 LÉÜ A 12 9. 710 3 .763 -0 .350 1 .00 0.00 H ATOMO 160 N ASN A 13 8. 666 -1 .212 2 .001 1 .00 0.00 N ATOMO 161 CA ASN A 13 9. 351 -2 .274 2 .727 1 .00 0.00 c ATOMO 162 C ASN A 13 8. 365 -3 .203 3 .441 1 .00 0.00 c ATOMO 163 0 ASN A 13 8. 772 -4 .033 4 .253 1 .00 0.00 0 ATOMO 164 CB ASN A 13 10. 325 -1 .675 3 .742 1 .00 0.00 c ATOMO 165 CG ASN A 13 9. 628 -0 .799 4 .765 1 .00 0.00 c ATOMO 166 0D1 ASN A 13 8. 434 -0, .520 4. .651 1 .00 0.00 0 ATOMO 167 ND2 ASN A 13 10. 373 -0 .360 5, .773 1 .00 0.00 N ATOMO 168 H ASN A 13 8. 262 -0 .478 2, .505 1 .00 0.00 H ATOMO 169 HA ASN A 13 9. 911 -2 .852 2, .009 1 .00 0.00 H ATOMO 170 1HB ASN A 13 10. 827 -2 .475 4, .265 1 .00 0.00 H ATOMO 171 2HB ASN A 13 11. 057 -1, .075 3. .220 .1 .00 0.00 H ATOMO 172 1HD2 ASN A 13 11. 316 -0, .621 5. .799 1, .00 0.00 H ATOMO 173 2HD2 ASN A 13 9. 948 0 .209 6, .449 1, .00 0.00 H ATOMO 174 N THR A 14 7. 072 -3, .067 3. ,142 1 .00 0.00 N ATOMO 175 CA THR A 14 6. 058 -3, .903 3. .766 1 .00 0.00 c ATOMO 176 C THR A 14 5. 512 -4. .928 2. .777 1, .00 0.00 c ATOMO 177 O THR A 14 5. 969 -5. .012 1. .637 1, .00 0.00 0 ATOMO 178 CB' THR A 14 4. 918 -3. .037 4, ,306 1, .00 0.00 c ATOMO 179 OG1 THR A 14 4 . 361 -2. .240 3. .274 1. .00 0.00 0 ATOMO 180 CG2 THR A 14 5. 345 -2, .108 5. .422 1. .00 0.00 c ATOMO 181 H THR A 14 6. 794 -2. .395 2, .489 1. .00 0.00 H ATOMO 182 HA THR A 14 6. 521 -4. .424 4. ,590 1. .00 0.00 H ATOMO 183 HB THR A 14 4. 141 -3. .681 4. ,692 1, .00 0.00 H ATOMO 184 HG1 THR A 14 3. 427 -2. .103 3. ,445 1. .00 0.00 H ATOMO 185 1HG2 THR A 14 4. 678 -1. .260 5. ,460 1. .00 0.00 H ATOMO 186 2HG2 THR A 14 6.,353 -1.765 5.238 1.00 0.00 H ATOMO 187 3HG2 THR A 14 5. 311 -2 .637 6 .363 1 .00 0 .00 H ATOMO 188 N GLN A 15 4. ,533 -5 .705 3 .225 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3. ,919 -6 .727 2 .390 1 .00 0 .00 C ATOMO 190 C GLN A 15 3. ,143 -6 .097 1.231 1 .00 0 .00 c ATOMO 191 O GLN A 15 2. .713 -4 .947 1 .320 1 .00 0 .00 0 ATOMO 192 CB GLN A 15 2. ,982 -7 .593 3 .234 1 .00 0 .00 C ATOMO 193 CG GLN A 15 3. .650 -8 .198 4 .457 1 .00 0 .00 C ATOMO 194 CD GLN A 15 4. .850 -9 .056 4 .102 1 .00 0 .00, c ATOMO 195 OEl GLN A 15 4. .738 -10 .275 3 .971 1 .00 0 .00 o ATOMO 196 NE2 GLN A 15 6. .005 -8 .421 3 .943 1 .00 0 .00 N ATOMO 197 H GLN A 15 4. ,214 -5 .588 4 .142 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4. .705 -7 .348 1 .989 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 2. .152 -6 .986 3 .566 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2. ,605 -8 .395 2 .622 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 3. .979 -7 .399 5 .104 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2. .929 -8 .810 4 .979 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 6. .019 -7 .448 4 .063 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 6., .796 -8 .951 3 .713 1 .00 0 .00 H ATOMO 205 N PRO A 16 2. .944 -6 .843 0 .122 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2. .210 -6 .334 -1 .043 1 .00 0 .00 c ATOMO 207 C PRO A 16 0. .754 -6 .028 -0 .711 1 .00 0 .00 c ATOMO 208 0 PRO A 16 0. .327 -6 .169 0 .435 1 .00 0 .00 o ATOMO 209 CB PRO A 16 2. .299 -7 .477 -2 .061 1 .00 0 .00 c ATOMO 210 CG PRO A 16 2. .584 -8 .694 -1 .251 1 .00 0 .00 c ATOMO 211 CD PRO A 16 3. .410 -8 .228 -0 .086 1 .00 0 .00 c ATOMO 212 HA PRO A 16 2. .677 -5 .448 -1 .449 1 .00 0 .00 H ATOMO 213 1HB PRO A 16 1. ,361 -7 .565 -2 .588 1 .00 0 .00 H ATOMO 214 2HB PRO A 16 3. ,095 -7 .276 -2 .762 1 .00 0 .00 H ATOMO 215 1HG PRO A 16 1. ,658 -9 .129 -0 .904 1 .00 0 .00 H ATOMO 216 2HG PRO A 16 3. 138 -9 .408 -1 .842 1 .00 0 .00 H ATOMO 217 1HD PRO A 16 3. 213 -8 .837 0 .783 1 .00 0 .00 H ATOMO 218 2HD PRO A 16 4. 460 -8 .249 -0 .335 1 .00 0 .00 H ATOMO 219 N CYS A 17 -0. 005 -5 .607 -1, .717 1 .00 0 .00 N ATOMO 220 CA CYS A 17 -1. 412 -5 .283 -1 .523 1 .00 0 .00 c ATOMO 221 C CYS A 17 -2. 292 -6 .512 -1, .723 1 .00 0 .00 c ATOMO 222 0 CYS A 17 -1. 809 -7 .594 -2 .053 1 :00 0, .00 o ATOMO 223 CB CYS A 17 -1. 84 -4 .170 -2 .480 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0. 827 -2 .660 -2 .378 1 .00 0, .00 s ATOMO 225 H CYS A 17 0. 389 -5 .513 -2. .609 1 .00 0, .00 H ATOMO 226 HA CYS A 17 -1. 534 -4 .934 -0, .508 1 .00 0, .00 H ATOMO 227 1HB CYS A 17 -1. 788 -4 .536 -3. .494 1 .00 0. .00 H ATOMO 228 2HB CYS A 17 -2. 864 -3 .894 -2. .258 1 .00 0, .00 H ATOMO 229 N CYS A 18 -3. 587 -6 1327 -1. .510 1 .00 0. .00 N ATOMO 230 CA CYS A 18 -4. 560' -7 .403 -1. .652 1 .00 0, .00 c ATOMO 231 C CYS A 18 -5. 341 -7 .255 -2. .953 1 .00 0, .00 c ATOMO 232 O CYS A 18 -5. 286 -6 .215 -3. .607 1 .00 0. .00 o ATOMO 233 CB CYS A 18 -5. 526 -7, .394 -0. .463 1 .00 0. .00 c ATOMO 234 SG CYS A 18 -4. 711 -7, .430 1. .166 1 .00 0. .00 s ATOMO 235 H CYS A 18 -3. 899 -5, .439 -1. ,243 1, .00 0. ,00 H ATOMO 236 HA CYS A 18 -4. 025 -8, .340 -1. ,667 1, .00 0. .00 H ATOMO 237 1HB CYS A 18 -6. 127 -6. .498 -0. 507 1, .00 o ; 00 H ATOMO 238 2HB CYS A 18 -6. 172 -8, .254 -0. 526 1, .00 0. ,00 H ATOMO 239 N ASP A 19 -6. 069 -8, .303 -3. 321 1, .00 0. 00 N ATOMO 240 CA ASP A 19 -6. 866 -8. .293 -4. 547 1, .00 0. 00 c ATOMO 241 C ASP A 19 -6. 007 -7. .938 -5. 760 1, .00 0. 00 c ATOMO 242 O ASP A 19 -6. 488 -7, .337 -6. 720 1, .00 0. ,00 o ATOMO 243 CB ASP A 19 -8.022 -7.301 -4..421 1.00 0..00 C ATOMO 244 CG ASP A 19 -9 .149 -7 .833 -3. .559 1 .00 0. ,00 C ATOMO 245 OD1 ASP A 19 -9 .931 -7 .014 -3. .030 1 .00 0. ,00 0 ATOMO 246 OD2 ASP A 19 -9 .252 -9 .069 -3. .411 1 .00 0. ,00 0 ATOMO 247 H ASP A 19 -6 .071 -9 .102 -2. .756 1 .00 0. ,00 H ATOMO 248 HA ASP A 19 -7 .269 -9 .285 -4. .687 1 .00 0. ,00 H ATOMO 249 1HB ASP A 19 -7 .656 -6 .386 -3. ,978 1 .00 0. ,00 H ATOMO 250 2HB ASP A 19 -8 .414 -7 .087 -5. .404 1 .00 0. ,00 H ATOMO 251 N ASP A 20 -4 .733 -8 .314 -5. .704 1 .00 0. ,00 N ATOMO 252 CA ASP A 20 -3 .798 -8 .037 -6. .790 1 .00 0. ,00 c ATOMO 253 C ASP A 20 -3 .588 -6 .536 -6. .959 1 .00 0. ,00 c ATOMO 254 0 ASP A 20 -3 .445 -6 .040 -8. .078 1 .00 0. ,00 0 ATOMO 255 CB ASP A 20 -4 .301 -8 .648 -8. .102 1 .00 0. .00 c ATOMO 256 CG ASP A 20 -3 .170 -9 .171 -8. .966 1 .00 0. ,00 c ATOMO 257 0D1 ASP A 20 -3 .137 -10 .393 -9. ,225 1 .00 0. ,00 o ATOMO 258 OD2 ASP A 20 -2 .317 -8 .360 -9. .384 1 .00 0. ,00 0 ATOMO 259 H ASP A 20 -4 .411 -8 .789 -4. ,909 1 .00 0. ,00 H ATOMO 260 HA ASP A 20 -2 .854 -8 .489 -6. ,532 1 .00 0. ,00 H ATOMO 261 1HB ASP A 20 -4 .967 -9 .468 -7. ,879 1 .00 0. ,00 H ATOMO 262 2HB ASP A 20 -4 .837 -7 .895 -8. ,660 1 .00 0. ,00 H ATOMO 263 N ALA A 21 -3 .563 -5 .818 -5. ,841 1 .00 0. ,00 N ATOMO 264 CA ALA A 21 -3 .361 -4 .373 -5. ,868 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1 .883 -4 .032 -6. ,001 1 .00 0. 00 c ATOMO 266 O ALA A 21 -1 .027 -4 .917 -5. 995 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3 .936 -3 .728 -4. ,614 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3 .677 -6 .271 -4. ,980 ¦ 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .891 -3 .979 -6. 723 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .947 -4 .449 -3. 812 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .942 -3 .392 -4. 810 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .324 -2 .883 -4. 329 1 .00 0. 00 H ATOMO 273 N THR A 22 -1 .590 -2 .743 -6. 120 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0 .220 -2.281 -6. 251 1 .00 0. 00 c ATOMO 275 C THR A 22 0 .014 -1 .041 -5. 396 1 .00 0. 00 c ATOMO 276 O THR A 22 -0 .839 -0 .154 -5. 324 1 .00 0. 00 0 ATOMO 277 CB THR A 22 0 .095 -1 .974 -7. 715 1 .00 0. 00 c ATOMO 278 OG1 THR A 22 -0 .122 -3 .117 -8. 524 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .519 -1 .517 -7. 938 1 .00 0. 00 c ATOMO 280 H THR A 22 -2 .316 -2 .086 -6. 117 1 .00 0. 00 H ATOMO 281 HA THR A 22 0 .432 -3 .070 -5. 908 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0 .562 -1, .187 -8. 056 1 .00 0. 00 H ATOMO 283 HG1 THR A 22 -0 .220 -2, .847. -9. 441 1. .00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .582 -?. .983 -8. 874 1, .00 0. 00 H ATOMO 285 2HG2 THR A 22 2 .172 -2. .377 -7. 968 1. .00 0. 00 H ATOMO 286 3HG2 THR A 22 1 .817 -0. .867 -7. 130 1. .00 0. 00 H ATOMO 287 N CYS A 23 1 .176 -0. .983 -4. 756 1, .00 0. 00 N ATOMO 288 CA CYS A 23 1 .526 0. .151 -3. 913 1. .00 0. 00 c ATOMO 289 C CYS A 23 1 .997 1, .313 -4. 785 1, .00 0. 00 c ATOMO 290 0 CYS A 23 3, .043 1. .229 -5. 430 1. .00 0. 00 o ATOMO 291 CB CYS A 23 2 .622 -0, .254 -2. 922 1. .00 0. 00 c ATOMO 292 SG CYS A 23 2, .741 0. .810 -1. 448 1. .00 0. 00 S ATOMO 293 H CYS A 23 1, .815 -1. .720 -4. 857 1. .00 0. 00 H ATOMO 294 HA CYS A 23 0, .644 0. .453 -3. 368 1. .00 0. 00 H ATOMO 295 1HB CYS A 23 2. .432 -1. .2.61 -2. 583 1. ,00 0. 00 H ATOMO 296 2HB CYS A 23 3, .577 -0. .227 -3. 426 1. .00 0. 00 H ATOMO 297 N THR A 24 1, .209 2. .383 -4. 823 1. ,00 0. 00 N ATOMO 298 CA THR A 24 1, .537 3. .544 -5. 640 1. .00 0. 00 c ATOMO 299 C TH A 24 1. .730 4. .797 -4. 792 1. .00 0. 00 c ATOMO 300 0 THR A 24 1.198 4.916 -3.689 1.00 0.00 0 ATOMO 301 CB THR A 24 0 .433 3 .779 -6. 682 1 .00 0. 00 C ATOMO 302 0G1 THR A 24 0 .417 2 .733 -7. 637 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .574 5 .087 -7. 441 1 .00 0. 00 C ATOMO 304 H THR A 24 0 .381 2 .389 -4. 307 1 .00 0. 00 H ATOMO 305 HA THR A 24 2 .461 3 .332 -6. 158 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0 .523 3 .791 -6. 178 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 -0 .164 2 .031 -7. 333 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .399 5 .913 -6. 765 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .147 5 .119 -8. 243 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .571 5 .162 -7. 847 1 .00 0. 00 H ATOMO 311 N GLN A 25 2 .485 5 .733 -5. 349 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2 .759 7 .003 -4. 701 1 .00 0. 00 C ATOMO 313 C GLN A 25 1 .546 7 .925 -4. 820 1 .00 0. 00 C ATOMO 314 O GLN A 25 0 .989 8 .099 -5. 903 1 .00 0. 00 0 ATOMO 315 CB GLN A 25 3 .990 7 .650 -5. 345 1 .00 0. 00 C ATOMO 316 CG GLN A 25 4 .269 9 .059 -4. 860 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5 .666 9 .533 -5. 209 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .656 8 .876 -4. 888 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 5 .754 10 .682 -5. 870 1 .00 0. 00 N ATOMO 320 H GLN A 25 2 .858 5 .569 -6. 236 1 .00 0. 00 H ATOMO 321 HA GLN A 25 2 .962 6 .818 -3. 658 1 .00 0. 00 H ATOMO 322 1?? GLN A 25 4 .855 7 .041 -5. 129 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3 .845 7 .684 -6. 415 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3 .552 9 .726 -5. 314 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4 .151 9 .082 -3. 788 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 4 .924 11 .152 -6. 093 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .645 11 .012 -6. 110 1 .00 0. 00 H ATOMO 328 N GLU A 26 1 .146 8 .511 -3. 699 1 .00 0. 00 N ATOMO 329 CA GLU A 26 0 .002 9 .413 -3. 673 1 .00 0. 00 c ATOMO 330 C GLU A 26 0 .238 10 .563 -2. 700 1 .00 0. 00 c ATOMO 331 O GLU A 26 1 .307 10 .674 -2. 100 1 .00. 0. 00 o ATOMO 332 CB GLU A 26 -1 .266 8 .652 -3. 283 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1 .576 7 .480 -4. 201 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2 .924 6 .850 -3. 908 1 .00 0. 00 c ATOMO 335 OE1 GLU A 26 -3 .779 7 .531 -3. 303 1 .00 0. 00 o ATOMO 336 OE2 GLU A 26 -3 .125 5 .676 -4. 282 1 .00 0. 00 o ATOMO 337 H GLU A 26 1 .633 8 .331 -2. 869 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0 .124 9 .818 -4. 664 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .151 8 .275 -2. 278 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .104 9 .333 -3. 309 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .575 7 .830 -5. 223 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .809 6 .730 -4. 077 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0 .766 11 .418 -2. 553 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0 .674 12 .565 -1. 658 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1 .662 12 .437 -0. 503 1 .00 0. 00 c ATOMO 346 0 ARG A 27 -2 .755 11 .894 -0. 667 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -0 .941 13 .855 -2. 432 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0 .153 14 .206 -3. 428 1 .00 0. 00 c ATOMO 349 CD ARG A 27 1 .196 15 .123 -2. 812 1 .00 0. 00 c ATOMO 350 NE ARG A 27 2 .475 15 .047 -3. 515 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 2 .682 15 .525 -4. 744 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 1 .701 16 .119 -5. 413 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 3 .878 15 .407 -5. 304 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1 .591 11 .276 -3. 062 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0 .329 12 .596 -1. 258 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -1 .870 13 .751 -2. 972 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1.032 14.669 -1.730 1.00 0.00 H ATOMO 358 1HG ARG A 27 0.634 13.296 -3.753 1.00 0.00 H ATOMO 359 2HG ARG A 27 -0.294 14.702 -4.278 1.00 0.00 H ATOMO 360 1HD ARG A 27 0.833 16.139 -2.853 1.00 0.00 H ATOMO 361 2HD ARG A 27 1..345 14.834 -1.781 1.00 0.00 362 HE ARG A H ATOMO 27 3..222 14.616 -3.049 1.00 0.00 H ATOMO 363.1HH1 ARG A 27 0..795 16.215 -5.000 1.00 0.00 4 2HH1 ARG A H ATOMO 36 27 1..867 16.473 -6.333 1.00 0.00 ATOMO 365 1HH2 ARG H A 27 4..622 14.961 -4.807 1.00 0.00 ATOMO 366 2HH2 ARG H A 27 4.036 15.764 -6.225 1.00 0.00 ASN A H ATOMO 367 N 28 -1.273 12.941 0.665 1.00 0.00 ASN A N ATOMO 368 CA 28 -2.130 12.882 1.845 1.00 0.00 ATOMO 369 C ASN A 28 C -2.726 14.254 2.153 1.00 0.00 ATOMO 370 O ASN A 28 c -2.587 15.192 1.368 1.00 0.00 ASN A o ATOMO 371 . CB 28 -1.339 12.361 3.050 .00 0.00 ASN A 28 c ATOMO 372 CG -0.240 13,311 3.486 ,00 0.00 ASN A 28 c ATOMO 373 OD1 0.069 14.280 2.795 .00 0.00 ATOMO 374 ND2 ASN A 28 o 0.356 13.035 4.641 .00 00 ATOMO 375 H ASN A 28 N 0.391 13.362 0.734 .00 00 ATOMO 376 HA ASN A 28 H 2.936 12.196 1.632 .00 377 1HB ASN 00 ATOMO A 28 H 2.013 12.216 3.880 1.00 2HB ASN 00 ATOMO 378 A 28 H 0.888 11.415 2.791 1.00 0.00 ATOMO 379 1HD2 ASN A 28 H 0.057 12.247 5.140 1.00 0.00 ATOMO 380 2HD2 ASN A 28 H 1.070 13.633 4.948 1,00 ATOMO 381 0.00 N GLU A 29 H 3.390 14.362 3.299 1.00 0.00 ATOMO 382 CA GLU A 29 N 4.006 15.619 3.708 1.00 ATOMO 383 C 0.00 GLU A 29 c 2.960 16.719 3.861 ATOMO 1.00 384 O 0.00 GLU A 29 c 3.166 17.849 3.420 ATOMO 1.00 385 CB 0.00 GLU A 29 o -4..763 15.433 5.026 ATOMO 1.00 386 CG GLU 0.00 A 29 c -6..172 14.895 4.847 1.00 CD 0.00 ATOMO 387 GLU A 29 c -7..208 15.997 4.743 1.00 0.00 ATOMO 388 OE1 GLU A 29 c -6..953 17.102 5 266 1.00 9 0.00 ATOMO 38 OE2 GLU A 29 o -8.274 15.755 4 138 1.00 GLU 0.00 ATOMO 390 H A 29 o -3.468 13.580 3 882 1.00 ATOMO 391 HA 0.00 GLU A 29 H -4.707 15.910 2 941 1.00 ATOMO 392 1HB 0.00 GLU A 29 H -4.213 14.743 5 649 1.00 ATOMO 393 2HB 0.00 GLU A 29 H -4.825 16.386 5.530 1.00 0.00 ATOMO 394 1HG GLU A 29 H -6.207 14.304 3.945 1.00 0.00 ATOMO 395 2HG GLU A 29 H -6.416. 14.270 5.695 1.00 ATOMO 396 N 0.00 ASN A 30 H -1.839 16.381 4.490 1.00 ATOMO 397 CA ASN 0.00 A 30 N -0.761 17.342 4.701 1.00 ATOMO 398 C ASN 0.00 A 30 c -0.118 17.745 3.377 1.00 399 0.00 O ASN A 30 c ATOMO 0.388 18.859 3.236 1.00 0.00 ATOMO 400 CB ASN A 30 o 0.296 16.756 5.637 1.00 01 CG 0.00 ATOMO 4 AS A 30 c -0.107 16.847 7.096 1.00 O 402 OD1 ASN 0.00 ATOM A 30 c -0.409 15.837 7.732 1.00 3 0.00 ATOMO 0 ND2 ASN A 30 o -0.114 18.061 7.633 1.00 0.00 ATOMO 404 H ASN A 30 N -1.732 15.465 4.820 1.00 00 ATOMO 405 HA ASN A 30 H -1.189 18.220 5.161 1.00 00 ATOMO 406 1HB ASN A 30 H 0.451 15.716 5.389 00 ATOMO 407 2HB 00 ASN A 30 H 1.223 17.295 5.505 00 00 ATOMO 408 1HD2 ASN A SOH 0.137 18.819 7.068 00 00 ATOMO 409 2HD2 ASN A H SO -0.371 18.148 8.576 00 0.00 ATOMO 410 N GLY A 31 H -0.140 16.835 408 00 0.00 ATOMO 11 CA GLY A N 31 0.445 17.119 109 1.00 ATOMO 0.00 412 C GLY A 31 c 1.771 16.409 875 1.00 O 0.00 ATOMO 413 GLY A 31 C 2.401 16.603 - 164 1.00 0.00 O ATOMO 414 H GLY A 31 -0.557 15.962 2.575 1.00 0.00 H ATOMO 415 1HA GLY A 31 -0 .251 16 .814 0 .342 1 .00 0, .00 H ATOMO 416 2HA GLY A 31 0 .603 18.18.5 1 .028 1 .00 0 .00 H ATOMO 417 N HIS A 32 2 .199 15 .586 1 .831 1 .00 0, .00 N ATOMO 418 CA HIS A 32 3 .454 14 .856 1 .700 1 .00 0 .00 C ATOMO 419 C HIS A 32 3 .255 13 .593 0 .869 1 .00 0, .00 C ATOMO 420 0 HIS A 32 2 .145 13 .070 0 .775 1 .00 0, .00 0 ATOMO 421 CB HIS A 32 4 .005 14 .498 3 .083 1 .00 0, .00 C ATOMO 422 CG HIS A 32 5 .480 14 .723 3 .216 1 .00 0 .00 C ATOMO 423 ND1 HIS A 32 6 .022 15 .884 3 .727 1 .00 0, .00 N ATOMO 424 CD2. HIS A 32 6 .530 13 .926 2 .904 1 .00 0 .00 c ATOMO 425 CE1 HIS A 32 7 .339 15 .792 3 .722 1 .00 0, .00 C ATOMO 426 NE2 HIS A 32 7 .673 14 .615 3, .229 1 .00 0, .00 N ATOMO 427 H HIS A 32 1 .661 15 .461 2, .639 .1 .00 0, .00 H ATOMO 428 HA HIS A 32 4 .160 15 .498 1. .194 1 .00 0, .00 H ATOMO 429 1HB HIS A 32 3 .510 15 .104 3, .826 1 .00 0, ;00 H ATOMO 430 2HB HIS A 32 3 .807 13 .456 3, .286 1 .00 0, .00 H ATOMO 431 HD1 HIS A 32 5 .514 16 .660 4. .045 1 .00 0, .00 H ATOMO 432 HD2 HIS A 32 6.477 12 .935 2. .478 1 .00 0, .00 H ATOMO 433 HE1 HIS A 32 8 .027 16 .552 4. .064 1 .00 0, ,00 H ATOMO 434 HE2 HIS A 32 8 .583 14 .251 3. .202 1 .00 0. .00 H ATOMO 435 N THR A 33 4 .334 13 .107 0, .263 1 .00 0. .00 N ATOMO 436 CA THR A 33 4 .265 11 .906 -0, .560 1 .00 0. .00 C ATOMO 437 C THR A 33 3 .973 10 .676 0. .290 1 .00 0, .00 C ATOMO 438 0 THR A 33 4 .618 10 .447 1, .314 1 .00 0. .00 0 ATOMO 439 CB THR A 33 5 .570 11 .702 -1. ,330 1 .00 0, .00 c ATOMO 440 OG1 THR A 33 5 .884 12 .849 -2. .100 1 .00 0. ,00 0 ATOMO 441 CG2 THR A 33 5 .527 10 .513 -2. .268 1 .00 0. .00 c ATOMO 442 H THR A 33 5 .193 13 .566 0. .372 1 .00 0. .00 H ATOMO 443 HA THR A 33 3 .459 12 .037 -1. .267 1 .00 0. ,00 H ATOMO 444 HB THR A 33 6 .371 11 .537 -0. .624 1 .00 0. ,00 H ATOMO 445 HG1 THR A 33 6, .792 13, .109 -1. .931 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .532 10, .226 -2. ,534 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4, .980 10, .781 -3. 161 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 5, .033 9. .687 -1. 779 1 .00 0. 00 H ATOMO 449 N VAL A 34 2, .998 9, .888 -0. 145 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2, .617 8, .678 0. 569 1 .00 0. 00 c ATOMO 451 C VAL A 34 2. .469 7 , .507 -0. 393 1 .00 0. 00 c ATOMO 452 0 VAL A 34 2. .558 7. .673 -1. 607 1 .00 0. 00 o.

ATOMO 453 CB VAL A 34 1. ;294 8. .870 1. 335 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 1. .506 9. ,749 2. 556 1. .00 0. 00 c ATOMO 455 CG2 VAL A 34 0. .229 9. ,461 0. 422 1, .00 0. 00 c ATOMO 456 H VAL A 34 2. ,524 10. ,126 -0. 969 1. .00 0. 00 H ATOMO 457 HA VAL A 34 3. .393 8. ,447 1. 282 1, .00 0. 00 H ATOMO 458 HB VAL A 34 0. ,952 7. ,901 1. 670 1, .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. .541 9. ,696 2. 863 1, .00 0. 00 H ATOMO 460 2HG1 VAL A 34 0. ,874 9. ,405 3. 362 i. .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. .254 10. ,771 2. 313 1. .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0. 543 10. 438 0. 089 1. .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. ,702 9. ,548 0. 965 1, .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. ,089 8. 816 -0. 432 1. .00 0. 00 H ATOMO 465 N TYR A 35 2. ,246 6. 323 0. 160 1. .00 0. 00 N ATOMO 466 CA TYR A 35 2. 084 5. 121 -0. 648 1. ,00 0. 00 c ATOMO 467 C TYR A 35 0. 769 4. 424 -0. 314 1. .00 0. 00 c ATOMO 468 0 TYR A 35 0. 509 4. 095 0. 844 1. .00 0. 00 0 ATOMO 469 CB TYR A 35 3. 257 4. 169 -0. 421 1. 00 0. 00 c ATOMO 470 CG TYR A 35 4. 609 4. 848 -0. 462 1. ,00 0. 00 c ATOMO 471 CDl TYR A 35 5.177 5.230 -1.670 1.00 0.00 c ATOMO 472 CD2 TYR A 35 5 .315 5 .105 0 .706 1 .00 0 .00 c ATOMO 473 CEl TYR A 35 6 .411 5 .851 -1 .713 1 .00 0 .00 c ATOMO 474 CE2 TYR A 35 6 .549 5 .726 0 .671 1 .00 0 .00 c ATOMO 475 CZ TYR A 35 7 .093 6 .096 -0 .541 1 .00 0 .00 c ATOMO 476 OH TYR A 35 8 .321 6 .714 -0 .581 1 .00 0 .00 0 ATOMO 477 H TYR A 35 2 .189 6 .256 1 .135 1 .00 0 .00 H ATOMO 478 HA TYR A 35 2 .066 5 .417 -1 .686 1 .00 0 .00 H ATOMO 479 1HB TYR A 35 3 .152 3 .701 0 .546 1 .00 0 .00 H ATOMO 480 2HB TYR A 35 3 .245 3 .410 -1 .186 1 .00 0 .00 H ATOMO 481 HDl TYR A 35 4 .641 5 .038 -2 .587 1 .00 0 .00 H ATOMO 482 HD2 TYR A 35 4 .887 4 .813 1 .654 1 .00 0 .00 H ATOMO 483 HEl TYR A 35 6 .837 6 .141 -2 .664 1 .00 0 .00 H ATOMO 484 HE2 TYR A 35 7 .083 5 .917 1 .590 1 .00 0 .00 H ATOMO 485 HH TYR A 35 8 .302 7 .425 -1 .226 1 .00 0 .00 H ATOMO 486 N TYR A 36 -0 .065 4 .211 -1 .329 1 .00 0 .00 N ATOMO 487 CA TYR A 36 -1 .358 3 .563 -1 .130 1 .00 0 .00 C ATOMO 488 C TYR A 36 -1 .525 2 .350 -2 .041 1 .00 0 .00 c ATOMO 489 0 TYR A 36 -0 .764 2 .160 -2 .990 1 .00 0 .00 0 ATOMO 490 CB TYR A 36 -2 ^ 91 4 .560 -1 .381 1 .00 0 .00 c ATOMO 491 CG TYR A 36 -2 .909 5 .327 -0 .147 1 .00 0 .00 c ATOMO 492 CDl TYR A 36 -2 .235 6 .478 0 .240 1 .00 0 .00 c ATOMO 493 CD2 TYR A 36 -3 .979 4 .901 0 .629 1 .00 0 .00 c ATOMO 494 CEl TYR A 36 -2 .614 7 .183 1 .367 1 .00 0 .00 c ATOMO 495 CE2 TYR A 36 -4 .365 5 .600 1 .757 1 .00 0 .00 c ATOMO 496 CZ TYR A 36 -3 .679 6 .740 2 .122 1 .00 0 .00 c ATOMO 497 OH TYR A 36 -4 .060 7 .438 3 .244 1 .00 0 .00 o ATOMO 498 H TYR A 36 0 .192 4 .503 -2 .230 1. .00 0 .00 H ATOMO 499 HA TYR A 36 -1 .407 3 .232 -0, .105 1 .00 0 .00 H ATOMO 500 1HB TYR A 36 -2 .172 5 .275 -2. .123 1 .00 0 .00 H ATOMO 501 2HB TYR A 36 -3 .355 4 .026 -1, .750 1 .00 0 .00 H ATOMO 502 HDl TYR A 36 -1, .400 6 .823 -0. .353 1 .00 0 .00 H ATOMO 503 HD2 TYR A 36 -4, .514 .008 0, .342 1 .00 0 .00 H ATOMO 504 HEl TYR A 36 -2, .077 8 .075 1. .652 1 .00 0, .00 H ATOMO 505 HE2 TYR A 36 -5 .199 5 .253 2. .348 1 .00 0, .00 H ATOMO 506 HH TYR A 36 -4, .653 8 .150 2. .992. 1 .00 0. .00 H ATOMO 507 N CYS A 37 -2 .528 1 .532 -1. .736 1 .00 0, .00 N ATOMO 508 CA CYS A 37 -2, .809 0, .328 -2. .514 1. .00 0. .00 c ATOMO 509 C. CYS A 37 -3, .972 0 .557 -3. .470 1, .00 0. .00 c ATOMO 510 O CYS A 37 -5, .009 1, .098 -3. .087 1. .00 0. .00 o ATOMO 511 CB CYS A 37 -3. .128 -0, .845 -1. .583 1, .00 0. .00 c ATOMO 512 SG CYS A 37 -1. .656 -1, .618 -0. .846 1. .00 0. .00 S ATOMO 513 H CYS A 37 -3. .090 1. .742 -0. .960 1. .00 0. .00 H ATOMO 514 HA CYS A 37 -1. .928 0, .086 -3. ,090 1. .00 0. .00 H ATOMO 515 1HB CYS A 37 -3. ,760 -0. .497 -0. .777 1. .00 0. .00 H ATOMO 516 2HB CYS A 37 -3. .654 -1. .606 -2. .135 1. .00 0. .00 H ATOMO 517 N ARG A 38 -3. .788 0. .144 -4. 720 1. .00 0. .00 N ATOMO 518 CA ARG A 38 -4. 816 0. .305 -5. 738 1. .00 0. ,00 c ATOMO 519 C ARG A 38 -5. 065 -1. .008 -6. 467 1. .00 0. 00 c ATOMO 520 0 ARG A 38 -4. 135 -1, ,643 -6. 964 1. .00 0. ,00 0 ATOMO 521 CB ARG A 38 -4. 406 1. .388 -6. 737 1. ,00 0. 00 c ATOMO 522 CG ARG A 38 -4. 200 2. ,752 -6. 102 1. .00 0. 00 c ATOMO 523 CD ARG A 38 -5. 525 3. .427 -5. 791 1. ,00 0. 00 c ATOMO 524 NE ARG A 38 -5. 454 4. .876 -5. 970 1. ,00 0. 00 N ATOMO 525 CZ ARG A 38 -6. 432 5. 720 -5. 638 1. 00 0. 00 c ATOMO 526 NH1 ARG A 38 -7. 566 5. ,268 -5. 113 1. ,00 0. 00 N ATOMO 527 NH2 ARG A 38 -6. 276 7. 022 -5. 834 1. 00 0. 00 N ATOMO 528 H ARG A 38 -2.939 -0.279 -4.965 1.00 0..00 ATOMO 529 HA ARG A 38 -5. 728 0.607 -5 .245 1 .00 0. .00 ATOMO 530 1HB ARG A 38 -3. 482 1.092 -7 .212 1 .00 0. ,00 ATOMO 531 2HB ARG A 38 -5. 175 1.477 -7 .490 1 .00 0. .00 ATOMO 532 1HG ARG A 38 -3. 645 2.631 -5 .184 1 .00 0, .00 ATOMO 533 2HG ARG A 38 -3. 639 3.375 -6 .785 1 .00 0, .00 ATOMO 534 1HD ARG A 38 -6. 281 3.028 -6 .453 1 .00 0. .00 ATOMO 535 2HD ARG A 38 -5. 792 3.212 -4 .768 1 .00 0, .00 ATOMO 536 HE ARG A 38 -4. 632 5.243 -6.358 1 .00 0. ,00 ATOMO 537 1HH1 ARG A 38 -7. 695 4.289 -4 .962 1 .00 0. .00 ATOMO 538 2HH1 ARG A 38 -8. 292 5.910 -4 .867 1 .00. 0. .00 ATOMO 539 1HH2 ARG A 38 -5. 425 7.369 -6 .229 1 .00 0. .00 ATOMO 540 2HH2 ARG A 38 -7. 008 7.656 -5 .585 1 .00 0. .00 ATOMO 541 N ALA A 39 -6. 327 -1.409 -6 .522 1 .00 0. .00 ATOMO 542 CÁ ALA A 39 -6. 708 -2.649 -7 .187 1 .00 0. .00 ATOMO 543 C ALA A 39 -6. 533 -2.538 -8 .698 1 .00 0. ,00 ATOMO 544 0 ALA A 39 -5. 635 -3.217 -9 .240 1 .00 0. ,00 ATOMO 545 CB ALA A 39 -8. 145 -3.011 -6 .844 1 .00 0. .00 ATOMO 546 OXT ALA A 39 -7. 296 -1.775 -9 .326 1 .00 0. .00 ATOMO 547 H ALA A 39 -7. 020 -0.858 -6 .104 1 .00 0. .00 ATOMO 548 HA ALA A 39 -6. 064 -3.433 -6 .817 1 .00 0. ,00 ATOMO 549 1HB ALA A 39 -8. 166 -3.555 -5 .913 1 .00 0. .00 ATOMO 550 2HB ALA A 39 -8. 558 -3.626 -7 .631 1 .00 0. .00 ATOMO 551 3HB ALA A 39 -8. 730 -2.109 -6 .749 1 .00 0. .00 TER 552 ALA A ENDML MODELO 8 ATOMO 1 N GLY A 1 -1 .637 -15. ,970 4 .374 1 .00 0. 00 ATOMO 2 CA GLY A 1 -0 .959 -14. ,855 3 .656 1 .00 0. ,00 ATOMO 3 C GLY A 1 -1 .473 -13. ,494 4 .081 1 .00 0. ,00 ATOMO 4 0 GLY A 1 -2 .676 -13. 304 4 .255 1 .00 0. 00 ATOMO 5 1H GLY A 1 -1 .339 -16. 885 3 .978 1 .00 0. ,00 ATOMO 6 2H GLY A 1 -2 .669 -15. 882 4 .276 1 .00 0. 00 ATOMO 7 3H GLY A 1 -1 .394 -15. ,945 5 .384 1 .00 0. 00 ATOMO 8 IRA GLY A 1 0 .101 -14. 906 3 .856 1 .00 0. 00 ATOMO 9 2HA GLY A 1 -1 .121 -14. 974 2 .595 1 .00 0. 00 ATOMO 10 N SER A 2 -0 .558 -12. 545 4 .250 1 .00 0. 00 ATOMO 11 CA SER A 2 -0 .925 -11. 193 4. .658 1 .00 0. 00 ATOMO 12 C SER A 2 -0 .665 -10. 196 3 .535 1 .00 0. 00 ATOMO 13 0 SER A 2 0 .306 -10. 323 2 .789 1 .00 0. 00 ATOMO 14 CB SER A 2 -0 .142 -10. 786 5 .908 1 .00 0. 00 ATOMO 15 OG SER A 2 0 .300 -11. 925 6 .626 1 .00 0. 00 ATOMO 16 H SER A 2 0 .386 -12. 757 4, .096 1 .00 0. 00 ATOMO 17 HA SER A 2 -1 .980 -11. 191 4 , .888 1 .00 0. 00 ATOMO 18 1HB SER A 2 0 .720 -10. 203 5, .618 1 .00 0. 00 ATOMO 19 2HB SER A 2 -0 .777 -10. 194 6, .550 1 .00 0. 00 ATOMO 20 HG SER A 2 0 .963 -12. 391 6. .112 1, .00 0. 00 ATOMO 21 N CYS A 3 -1 .537 -9. 200 3. .422 1 .00 0. 00 ATOMO 22 CA CYS A 3 -1 . 04 -8. 177 2. .394 1 .00 0. 00 ATOMO 23 C CYS A 3 -2 .034 -6. 867 2. .852 1, .00 0. 00 ATOMO 24 O CYS A 3 -2 .752 -6. 826 3. .851 1 .00 0. 00 ATOMO 25 CB CYS A 3 -2 .052 -8. 642 1. .086 1. .00 0. 00 ATOMO 26 SG CYS A 3 -3 .828 -9. 034 1. 224 1. .00 0. 00 ATOMO 27 H CYS A 3 -2 .288 -9. 149 4. .048 1, .00 0. 00 ATOMO 28 HA CYS A 3 -0 .349 -8. 015 2. ,224 1. .00 0. 00 ATOMO 29 1HB CYS A 3 -1 .947 -7. 862 0. ,346 1. .00 0. 00 ATOMO 30 2HB CYS A 3 -1 .545 -9. 529 0. ,738 1. .00 0. 00 ATOMO 31 N VAL A 4 -1.762 -5.801 2.112 1.00 0.00 N ATOMO 32 CA VAL A 4 -2.297 -4 .489 2 .429 1 .00 0 .00 c ATOMO 33 C VAL A 4 -3.649 -4 .278 1 .741 1 .00 0 .00 C ATOMO 34 0 VAL A 4 -3.777 -4 .525 0 .547 1 .00 0 .00 0 ATOMO 35 CB VAL A 4 -1.316 -3 .392 1 .980 1 .00 0 .00 c ATOMO 36 CG1 VAL A 4 -1.869 -2 .004 2 .266 1 .00 0 .00 c ATOMO 37 CG2 VAL A 4 0.029 -3 .589 2 .658 1 .00 0 .00 c ATOMO 38 H VAL A 4 -1.185 -5 .898 1 .328 1 .00 0 .00 H ATOMO 39 HA VAL A 4 -2.417 -4 .425 3 .497 1 .00 0 .00 H . ATOMO 40 HB VAL A 4 -1.170 -3 .485 0 .915. 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1.081 -1 .274 2 .168 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2.266 -1 .976 3 .269 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 -2.657 -1 .782 1 .560 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0.366 -4 .604 2 .499 1 .00 0 .00 H ATOMO 45 2HG2 VAL A 4 -0.073 -3 .406 3 .718 1 .00 0 .00 H ATOMO 46 3HG2 VAL A 4 0.749 -2 .902 2 .241 1 .00 0 .00 H ATOMO 47 N PRO A 5 -4.679 -3 .809 2 .469 1 .00 0 .00 N ATOMO 4T CA PRO A 5 -5.996 -3 .578 1 .874 1 .00 0 .00 c ATOMO 49 C PRO A 5 -5.965 -2 .447 0 .852 1 .00 0 .00 c ATOMO 50 0 PRO A 5 -5.364 -1 .392. 1 .085. 1 .00 0 .00 0 ATOMO 51 CB PRO A 5 -6.889 -3 .201 3 .065 1 .00 0 .00 c ATOMO 52 CG PRO A 5 -6.103. -3 .550 4 .287 1 .00 0 .00 c ATOMO 53 CD PRO A 5 -4.657 -3 .458 3 .897 1. .00 0 .00 c ATOMO 54 HA PRO A 5 -6.377 -4 .476 1 .402 1 .00 0 .00 H ATOMO 55 1HB PRO A 5 -7.112 -2 .145 3 .030 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 -7.809 -3 .765 3 .019 1 .00 0 .00 H ATOMO 57 1HG PRO A 5 -6.323 -2 .848 5 .077 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 -6.343 -4 .556 4 .602 1 .00 0 .00 H ATOMO 59 1HD PRO A 5 -4.287 -2 .453 4 .044 1 .00 0 .00 H ATOMO 60 2HD PRO A 5 -4.069 -4 .165 4 .461 1 .00 0 .00 H ATOMO 61 N VAL A 6 -6.626 -2 .659 -0 .282 i .00 0 .00 N ATOMO 62 CA VAL A 6 -6.676 -1 .654 -1 .325 1 .00 0 .00 c ATOMO 63 C VAL A 6 -7.280 -0 .373- -0 .781 1 .00 0 .00 c ATOMO 64 O VAL A 6 -8.089 -0 .403 0 .145 1 .00 0 .00 o ATOMO 65 CB VAL A 6 -7.472 -2 .152 -2 .545 1 .00 0 .00 c ATOMO 66 CG1 VAL A 6 -7.558 -1 .081 -3 .623 1 .00 0 .00 c ATOMO 67 CG2 VAL A 6 -6.827 -3 .410 -3 .098 1 .00 0 .00 c ATOMO 68 H VAL A 6 -7.098 -3 .502 -0 .414 1 .00 0 .00 H ATOMO 69 HA VAL A 6 -5.661 -1 .453 -1 .639 1 .00 0 .00 H ATOMO 70 HB VAL A 6 -8.474 -2 .395 -2 .227 1 .00 0 .00 H ATOMO 71 1HG1 VAL A 6 -7.954 -0 .173 -3 .193 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -8.208 -1 .420 -4 .414 1 .00 0 .00 H ATOMO 73 3HG1 VAL A 6 -6.572 -0 .894 -4 .020 1 .00 0 .00 H ATOMO 74 1HG2 VAL A 6 -5.775 -3 .409 -2 .854 1 .00 0 .00 H ATOMO 75 2HG2 VAL A 6 -6.948 -3 .435 -4 .170 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7.297 -4 .276 -2 .659 1 .00 0 .00 H ATOMO 77 N AS A 7 -6.848 0 .749 -1 .337 1 .00 0 .00 N ATOMO 78 CA ASP A 7 -7.297 2 .057 -0 .901 1 .00 0, .00 c ATOMO 79 C ASP A 7 -6.663 2, .429 0 .442 1 .00 0, .00 c ATOMO 80 O ASP A 7 -6.988 3. .470 1. .013 1 .00 0. .00 o ATOMO 81 CB ASP A 7 -8.822 2, .112 -0 .806 1 .00 0. .00 c ATOMO 82 CG ASP A 7 -9.499 1, .588 -2 .058 1 .00 0, .00 c ATOMO 83 OD1 ASP A 7 -9.071 1. .970 -3, .168 1 .00 0. .00 0 ATOMO 84 OD2 ASP A 7 -10.456 0, .796 -1, .930 1. .00 0. .00 0 ATOMO 85 H ASP A 7 -6.184 0, .698 -2, .042 1, .00 0. ,00 H ATOMO 86 HA ASP A 7 -6.970 2. .773 -1 .640 1 .00 0, .00 H ATOMO 87 1HB ASP A 7 -9.148 1. .515 0, .032 1. .00 0. .00 H ATOMO 88 2HB ASP A 7 -9.123 3.132 -0.657 1.00 0.00 H ATOMO 89 N GLN A 8 -5 .741 1 .590 0 .946 1.00 0 .00 N ATOMO 90 CA GLN A 8 -5 .076 1 .876 2 .205 1 .00 0 .00 c ATOMO 91 C GLN A 8 -3 .581 2 .088 1 .980 1 .00 0 .00 c ATOMO 92 O GLN A 8 -3 .021 1 .592 1 .002 1 .00 0 .00 0 ATOMO 93 CB GLN A 8 -5 .298 0 .746 3 .211 1 .00 0 .00 c ATOMO 94 CG GLN A 8 -6· .759 0 .367 3 .386 1 .00 0 .00 c ATOMO 95 CD GLN A 8 -7 .594 1 .506 3 .940 1 .00 0 .00 c ATOMO 96 OEl GLN A 8 -7 .525 1 .821 5 .127 1 .00 0 .00 o ATOMO 97 NE2 GLN A 8 -8 .389 2 .130 3 .077 1 .00 0 .00 N ATOMO 98 H GLN A 8 -5 .495 0 .772 0 .458 .1 .00 0 .00 H ATOMO 99 HA GLN A 8 -5 .498 2 .786 2 .597 1 .00 0 .00 H ATOMO 100 1HB GLN A 8 -4 .758 -0 .126 2 .879 1 .00 0 .00 H ATOMO 101 2HB GLN A 8 -4 .911 1 .055 4 .171 1 .00 0 .00 H ATOMO 102 1HG GLN A 8 -7 .162 0 .079 2 .427 1 .00 0 .00 H ATOMO 103 2HG GLN A 8 -6 .821 -0, .468 4 .068 1 .00 0 .00 H ATOMO 104 1HE2 GLN A 8 -8 .392 1 .825 2 .146 1 .00 0 .00 H ATOMO 105 2HE2 GLN A 8 -8 .939 2 .870 3 .408 1 .00 0, .00 H ATOMO 106 N PRO A 9 -2 .910 2. .841 2 .870 1 .00 0 .00 N ATOMO 107 CA PRO A 9 -1 .479 3, .116 2 .736 1 .00 0, .00 c ATOMO 108 C PRO A 9 -0 .615 1. .872 2 .866 1 .00 0, .00 c ATOMO 109 O PRO A 9 -0 .882 0, .993 3 .686 1 .00 0, .00 o ATOMO 110 CB PRO A 9 -1 .178. 4. .091 3 .874 1 .00 0, .00 c ATOMO 111 CG PRO A 9 -2 .286 3. .907 4 .855 1 .00 0. .00 c ATOMO 112 CD PRO A 9 -3 .490 3, .492 4 .061 1, .00 0, .00 c ATOMO 113 HA PRO A 9 -1, .264 3. .596 1 .793 1, .00 0. .00 H ATOMO 114 1HB PRO A 9 -0. .219 3. .850 4, .313 i; .00 0. .00 H ATOMO 115 2HB PRO A 9 -1, .155 5. .094 3, .484 1. .00 0. .00 H ATOMO 116 1HG PRO A 9 -2. .022 3. .135 5, .563 1. .00 0. .00 H ATOMO 117 2HG PRO A 9 -2, .481 4. .834 5 .368 1. .00 0. .00 H ATOMO 118 1HD PRO A 9 -4, .091 2. .797 4, 1627 1. .00 0. ,00 H ATOMO 119 2HD PRO A 9 -4. ,075 4. 355 3. .780 1. .00 0. .00 H ATOMO 120 N CYS A 10 0. .429 1. 823 2. ,055 1. .00 0. .00 N ATOMO 121 CA CYS A 10 1. .364 0. 707 2. .063 1. .00 0. ,00 c ATOMO 122 C CYS A 10 2. ,796 1. 211 2. .194 1. .00 0. ,00 c ATOMO 123 O CYS A 10 .3. ,034 2. 413 2. .310 1. .00 0. ,00 o ATOMO 124 CB CYS A 10 1. ,218 -0. 127 0. .789 1. ,00 0. 00 c ATOMO 125 SG CYS A 10 1. .076 0. 858 -0. .739 1. ,00 0. ,00 s ATOMO 126 H CYS A 10 0. ,580 2. 565 1. .435 1. ,00 0. 00 H ATOMO 127 HA CYS A 10 1. ,133 0. 087 2. ,918 1. ,00 0. 00 H ATOMO 128 1HB CYS A 10 2. ,081 -0. 767 0. .684 1. ,00 0. 00 H ATOMO 129 2HB CYS A. 10 0. 335 -0. 738 0. ,871 1. 00 0. 00 H ATOMO 130 N SER A 11 3. 743 0. 284 2. 172 1. 00 0. 00 N ATOMO 131 CA SER A 11 5. 155 0. 628 2. 284 1. 00 0. 00 c ATOMO 132 C SER A 11 6. 001 -0. 238 1. 357 1. 00 0. 00 c ATOMO 133 0 SER A 11 5. 570 -1. 308 0. ,927 1. 00 0. 00 o ATOMO 134 CB SER A 11 5. 628 0. 464 3. 729 1. 00 0. 00 c ATOMO 135 OG SER A 11 6. 567 1. 467 4. 076 1. 00 0. 00 o ATOMO 136 H SER A 11 3. 485 -0. 653 2. 075 1. 00 0. 00 H ATOMO 137 HA SER A 11 5. 266 1. 663 1. 994 1. 00 0. 00 H ATOMO 138 1HB SER A 11 4. 780 0. 537 4. 394 1. 00 . 0.oo H ATOMO 139 2HB SER A 11 6. 094 -0. 504 3. 846 1. 00 0. 00 H ATOMO 140 HG SER A 11 7. 265 1. 082 4. 611 1. 00 0. 00 H ATOMO 141 N LEO- A 12 7. 207 0. 230 1. 054 1. 00 0. 00 N ATOMO 142 CA LEU A 12 8. 113 -0. 505 0. 176 1. 00 0. 00 c ATOMO 143 C LEU A 12 8. 798 -1. 661 0. 909 1. 00 0. 00 c ATOMO 144 O LEU A 12 9. 363 -2. 553 0. 275 1. 00 0. 00 o ATOMO 145 CB LEU A 12 9.168 0.431 -0.425 1.00 0.00 C ATOMO 146 CG. LEU A 12 9 .777 1 .455 0 .537 1 .00 0 .00 C ATOMO 147 CD1 LEU A 12 10 .300 0 .776 1 .794 1 .00 0 .00 c ATOMO 148 CD2 LEU A 12 10 .891 2 .226 -0 .152 1 .00 0 .00 c ATOMO 149 H LEU A 12 7 .493 1 .088 1 .428 1 .00 0 .00 H ATOMO 150 HA LEU A 12 7 .521 -0 .916 -0 .628 1 .00 0 .00 H ATOMO 151 1HB LEU A 12 9 .969 -0 .176 -0 .821 1 .00 0 .00 H ATOMO 152 2HB LEU A 12 8 .713 0 .969 -1 .243 1 .00 0 .00 H ATOMO 153 HG LEU A 12 9 .016 2 .163 0 .831 1 .00 0 .00 H ATOMO 154 1HD1 LEU A 12 11 .070 1 .387 2 .239 1 .00 0 .00 H ATOMO 155 2HD1 LEU A 12 10 .709 -0 .190 1 .538 1 .00 0 .00 H ATOMO 156 3HD1 LEU A 12 9 .490 0 .649 2 .497 1.00 0 .00 H ATOMO 157 1HD2 LEU A 12 10 .668 2 .315 -1 .204 1 .00 0 .00 H ATOMO 158 2HD2 LEU A 12 11 .824 1 .699 -0 .024 1 .00 0 .00 H ATOMO 159 3HD2 LEU A 12 10 .970 3 .210 0 .285 1 .00 0 .00 H ATOMO 160 N ASN A 13 8 .750 -1 .649 2 .242 1 .00 0 .00 N ATOMO 161 CA ASN A 13 9 .370 -2 .703 3 .036 1 .00 0 .00 c ATOMO 162 C ASN A 13 8 .325 -3 .602 3 .704 1 .00 0 .00 c ATOMO 163 O ASN A 13 8 .665 -4 .417 4 .561 1 .00 0 .00 0 ATOMO 164 CB ASN A 13 10 .282 -2 .090 .101 1 .00 0 .00 c ATOMO 165 CG ASN A 13 11 .688 -1 .850 3 .589 1 .00 0 .00 c ATOMO 166 OD1 ASN A 13 12 .381 -2 .783 3 .184 1 .00 0 .00 o ATOMO 167 ND2 ASN A 13 12 .119 -0 .594 3 .607 1 .00 0 .00 N ATOMO 168 H ASN A 13 8 .289 -0 .922 2 .701 1 .00 0 .00 H ATOMO 169 HA ASN A 13 9 .968 -3 .305 2 .372 1 .00 0 .00 H ATOMO 170 1HB ASN A 13 9 .869 -1 .145 .420 1 .00 0 .00 H ATOMO 171 2HB ASN A 13 10 .335 -2 .758 4, .948 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 . 11 .512 0, .098 3, .945 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 13 .024 -0, .410 3, .282 1 .00 0 .00 H ATOMO 174 N THR A 14 7 .057 -3, .456 3, .317 1 .00 0 .00 N ATOMO 175 CA THR A 14 5. .989 -4, .263 3. .893 1 .00 0 .00 c ATOMO 176 C THR A 14 5, .446 -5, .255 2. .871 1. .00 0. .00 c ATOMO 177 0 THR A 14 5, .969 -5. .374 1. .764 1. .00 0, .00 0 ATOMO 178 CB THR A 14 4. .859 -3. .364 4. .400 1, .00 0, .00 c ATOMO 179 0G1 THR A 14 4. .233 -2. .692 3. .322 1, .00 0. .00 0 ATOMO 180 CG2 THR A 14 5. .325 -2. .315 5. .386 1. .00 0, .00 c ATOMO 181 H THR A 14 6. .832 -2, ,795 2. .632 1. .00 0, .00 H ATOMO 182 HA THR A 14 6, ,401 -4. .811 4. .727 1. .00 0, .00 H ATOMO 183 HB THR A 14 4. .120 -3. ,977 4. ,894 1, .00 0. .00 H ATOMO 184 HG1 THR A 14 4. .871 -2. ,125 2. ,883 r. .00 0. .00 H ATOMO 185 1HG2 THR A 14 5. .194 -2. .684 6. ,392. 1. .00 0. .00 H ATOMO 186 2HG2. THR A 14 4. .745 -1, ,414 5. .254 1. ,00 0. .00 H ATOMO 187 3HG2 THR A 14 6. ,370 -2. ,099 5. 215 1. ,00 0. ,00 H ATOMO 188 N GLN A 15 4. ,392 -5. ,967 3. 253 1. .00 0. ,00 •N ATOMO 189 CA GLN A 15 3. .770 -6. 951 2. 379 1. .00 0. ,00 c ATOMO 190 C GLN A 15 3. .031 -6. ,269 1. 226 1. .00 0. ,00 c ATOMO 191 O GLN A 15 2. 628 -5. 112 1. 343 1. 00 0. ,00 0 ATOMO 192 CB GLN A 15 2. 801 -7. 817 3. 183 1. 00 0. 00 c ATOMO 193 CG GLN A .15 3. 404 -8. 385 4. 457 1. 00 0. 00 c ATOMO 194 CD GLN A 15 3. 837 -9. 829 4. 304 1. 00 0. 00 c ATOMO 195 OE1 GLN. A 15 3. 056 -10. 682 3. 882 1. 00 0. 00 0 ATOMO 196 NE2 GLN A 15 5. 088 -10. 111 4. 647 1. 00 0. 00 N ATOMO 197 H GLN A 15 4. 021 -5. 828 4. 149 1. 00 0. 00 H ATOMO 198 HA GLN A 15 4. 551 -7. 577 1. 974 1. 00 0. 00 H ATOMO 199 1HB GLN A 15 1. 941 -7. 221 3. 451 1. 00 0. 00 H ATOMO 200 2HB GLN A 15 2. 476 -8. 640 2. 568 1. 00 0. 00 H ATOMO 201 ÍHG GLN A 15 4. 267 -7. 793 4. 725 1. 00 0. 00 H ATOMO 202 2HG GLN A 15 2.668 -8.326 5.246 1.00 0.00 H ATOMO 203 1HE2 GLN A 15 5.654 -9 .382 4 .975 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 5 .395 -11 .038 4 .558 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .835 -6 .975 0 .092 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .134 -6 .413 -1 .068 1 .00 0 .00 C ATOMO 207 C PRO A 16 0 .693 -6 .047 -0 .736 1 .00 0 .00 C ATOMO 208 0 PRO A 16 0 .254 -6 .197 0 .403 1 .00 0 .00 0 ATOMO 209 CB PRO A 16 2 .176 -7 .542 -2 .106 1 .00 0 .00 c ATOMO 210 CG PRO A 16 2 .425 -8 .782 -1 .319 1.00 0 .00 c ATOMO 211 CD PRO A 16 3 .269 -8 .364 -0 .151 1 .00 0 .00 c ATOMO 212 HA PRO A 16 2 .643 -5 .543 -1 .455 1 .00 0 .00 H ATOMO 213 1HB PRO A 16 1 .231 -7 .588 -2 .629 1 .00 0 .00 H ATOMO 214 2HB PRO A 16 2 .974 -7 .356 -2 .810 1 .00 0 .00 H ATOMO 215 1HG PRO A 16 1 .487 -9 .194 -0 .977 1 .00 0 .00 H ATOMO 216 2HG PRO A 16 2 .953 -9 .502 -1 .925 1 .00 0 .00 H ATOMO 217 1HD PRO A. 16 3 .065 -8 .990 0 .706 1 .00 0 .00 H ATOMO 218 2HD PRO A 16 4 .316 -8 .401 -0 .408 1 .00 0 .00 H ATOMO 219 N CYS A 17 -0 .041 -5 .566 -1 .734 1 .00 0 .00 N ATOMO 220 CA CYS A 17 -1 .432 -5 .181 -1 .536 1 .00 0 .00 c ATOMO 221 C CYS A 17 -2 .363 -6 .375 -1 .716 1 .00 0 .00 c ATOMO 222 O CYS A 17 -1 .928 -7 .475 -2 .056 1 .00 0 .00 o ATOMO 223 CB CYS A 17 -1 .825 -4 .061 -2 .501 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0 .757 -2 .587 -2 .410 1 .00 0 .00 s ATOMO 225 H CYS A 17 0 .360 -5 .468 -2 .622 1 .00 0 .00 H ATOMO 226 HA CYS A 17 -1 .532 - .817 -0 .524 1 .00 0 .00 H ATOMO 227 1HB CYS A 17 -1 .781 - .435 -3 .513 1 .00 0 .00 H ATOMO 228 2HB CYS A 17 -2 .834 -3 .748 -2 .282 1 .00 0, .00 H ATOMO 229 N CYS A 18 -3 .646 -6.143 -1 .473 1 .00 0, .00 N ATOMO 230 CA CYS A 18 -4 .660 -7, .181 -1 .592 1 .00 0, .00 c ATOMO 231 C CYS A 18 -5, .468 -7, .003 -2 .872 1 .00 0. .00 c ATOMO 232 O CYS A 18 -5 .390 -5, .967 -3 .529 1 .00 0. .00 o ATOMO 233 CB CYS A 18 -5, .593 -7. .141 -0 .378 1 .00 0. .00 c ATOMO 234 SG CYS A 18 -4 .734 -7, .217 1 .228 1 .00 0. .00 s ATOMO 235 H CYS A 18 -3. .91? -5. .244 -1, .201 1 .00 0. ,00 H ATOMO 236 HA CYS A 18 -4. .160 -8. .136 -1, .622 1 .00 0. .00 H ATOMO 237 1HB CYS A 18 -6. .158 -6. .222 -0, .401 1, .00 0. ,00 H ATOMO 238 2HB CYS A 18 -6. .275 -7. .975 -0, .427 1, .00 0. ,00 H ATOMO 239 N ASP A 19 -6. .245 -8. ,022 -3. .223 1. .00 0. 00 N ATOMO 240 CA ASP A 19 -7. .072 -7. .979 -4. .428 1. .00 0. ,00 c ATOMO 241 C ASP A 19 -6. .232 -7. ,657 -5. .662 1. .00 0. 00 c ATOMO 242 O ASP A 19 -6. .712 -7. ,035 -6. .610 1. .00 0. 00 o ATOMO 243 CB ASP A 19 -8. .184 -6. ,940 -4. .272 1, .00 0. 00 c ATOMO 244 CG ASP A 19 -9. .345 -7. ,456 -3. .444 1. .00 0. 00 c ATOMO 245 ODl ASP A 19 -10. .491 -7. 030 -3. ,697 1. ,00 0. 00 o ATOMO 246 OD2 ASP A 19 -9. 108 -8. 288 -2. 542 1. ,00 0. 00 o ATOMO 247 H ASP A 19 -6. 266 -8. 822 -2. ,659 1. ,00 0. 00 H ATOMO 248 HA ASP A 19 -7. 519 -8. 953 -4. 558 1. 00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 784 -6. 063 -3. 786 1. 00 0. 00 H ATOMO 250 2HB ASP A 19 -8. 555 -6. 669 -5. 248 1. 00 0. 00 H ATOMO 251 N ASP A 20 -4. 973 -8. 086 -5. 640 1. 00 0. 00 N ATOMO 252 CA ASP A 20 -4. 057 -7. 847 -6. 750 1. 00 0. 00 c ATOMO 253 C ASP A 20 -3. 786 -6. 356 -6. 925 1. 00 0. 00 c ATOMO 254 0 ASP A 20 -3. 648 -5. 867 -8. 047 1. 00 0. 00 0 ATOMO 255 CB ASP A 20 -4. 616 -8. 434 -8. 047 1. 00 0. 00 c ATOMO 256 CG ASP A 20 -5. 123 -9. 852 -7. 869 1. 00 0. 00 c ATOMO 257 ODl ASP A 20 -4. 453 -10. 788 -8. 354 1. 00 0. 00 o ATOMO 258 OD2 ASP A 20 -6. 191 -10. 027 -7. 244 1. 00 0. 00 o ATOMO 259 H ASP A 20 -4.651 -8.575 -4.855 1.00. 0.,00 H ATOMO 260 HA ASP A 20 -3. 126 -8. 339 -6 .516 1.00 0. ,00 H ATOMO 261 1HB ASP A 20 -5. 435 -7. 821 -8 .391 1.00 0. ,00 H ATOMO 262 2HB ASP A 20 -3. 838 -8. 442 -8 .796 1.00 0. ,00 H ATOMO 263 N ALA A 21 -3. 705 -5. 639 -5 .809 1.00 0. .00 N ATOMO 264 CA ALA A 21 -3. 443 -4. 204 -5 .841 1.00 0. .00 c ATOMO 265 C ALA A 21 -1. 952 -3. 928 -5 .984 1.00 0, .00 c ATOMO 266 O ALA A 21 -1. 136 -4. 850 -5 .999 1.00 0. .00 o ATOMO 267 CB ALA A 21 -3. 982 -3. 533 -4 .586 1.00 0.00 c ATOMO 268 H ALA A 21 -3. 820 -6. 087 -4 .944 1.00 0. .00 H ATOMO 269 HA ALA A 21 -3. 959 -3. ,791 -6 .694 1.00 0, ,00 H ATOMO 270 1HB ALA A 21 -4.008 -4. 248 -3 .780 1.00 0, .00 H ATOMO 271 2HB ALA A 21 -4. ,980 -3. 166 -4 .774 1.00 0, .00 H ATOMO 272 3HB ALA A 21 -3. ,341 -2. 707 -4 .314 1.00 0. .00 H ATOMO 273 N THR A 22 -1. ,602 -2. 652 -6 .088 1.00 0, .00 N ATOMO 274 CA THR A 22 -0. 212 -2. 250 -6 .227 1.00 0. .00 c ATOMO 275 C THR A 22 0. ,076 -1. 008 -5 .389 1.00 0, .00 c ATOMO 276 0 THR A 22 -0. 755 -0. 104 -5 .297 1.00 0. .00 o ATOMO 277 CB THR A 22 0. 110 -1. 978 -7 .697 1.00 0. .00 c ATOMO 278 0G1 THR A 22 -0. 151 -3. 124 -8 .488 1.00 0. ,00 o ATOMO 279 CG2 THR A 22 1. 548 -1. 577 -7 .930 1.00 0. ,00 c ATOMO 280 H THR A 22 -2. 296 -1. 962 -6 .070 1.00 0. ,00. H ATOMO 281 HA THR A 22 0. 406 -3. 061 -5 .875 1.00 0. ,00 H ATOMO 282 HB THR A 22 -0. 519 -1. 173 -8 .049 1.00 0. ,00 H ATOMO 283 HG1 THR A 22 -0. 700 -2. 878 -9 .236 1.00 0. ,00 H ATOMO 284 1HG2 THR A 22 1. 588 -0. 801 -8 .678 1.00 0. ,00 H ATOMO 285 2HG2 THR A 22 2. 109 -2. 435 -8 .269 1.00 0. ,00 H ATOMO 286 3HG2 THR A 22 1. 973 -1. 210 -7 .008 1.00 0. ,00 H ATOMO 287 N CYS A 23 1. 259 -0. 970 -4 .785 1.00 0. ,00 N ATOMO 288 CA CYS A 23 1. 659 0. 164 -3 .963 1.00 0. ,00 c ATOMO 289 C CYS A 23 2. 134 1. 308 -4 .855 1.00 0. ,00 c ATOMO 290 O CYS A 23 3. 157 1. 194 -5 .531 1.00 0. ,00 o ATOMO 291 CB CYS A 23 2. 769 -0. 258 -2 .995 1.00 0. ,00 c ATOMO 292 SG CYS A 23 2. 942 0. 817 -1 .536 1.00 0. ,00 s ATOMO 293 H CYS A 23 1. 880 -1. 720 -4 .900 1.00 0. 00 H ATOMO 294 HA CYS A 23 0. 798 0. 490 -3 .398 1.00 0. 00 H ATOMO 295 1HB CYS A 23 2. 565 -1. 258 -2 .641 1.00 0. 00 H ATOMO 296 2HB CYS A 23 3. 713 -0. 256 -3 .521 1.00 0. 00 H ATOMO 297 N THR A 24 1. 372 2. 399 -4 .877 1.00 0. 00 N ATOMO 298 CA THR A 24 1. 701 3. 545 -5 .711 1.00 0. 00 c ATOMO 299 C THR A 24 1. 831 4. 827 -4 .891 1.00 0. 00 c ATOMO 300 O THR A 24 1. 259 4. 959 -3 .810 1.00 0. 00 o ATOMO 301 CB THR A 24 0. 630 3. 723 -6 .797 1.00 0. 00 c ATOMO 302 OG1 THR A 24 0. 678 2. 654 -7 .725 1.00 0. 00 0 ATOMO . 303 CG2 THR A 24 0. 758 5. 015 -7 .582 1.00 0. 00 c ATOMO 304 H THR A 24 0. 559 2. 426 -4, .337 1.00 0. 00 H ATOMO 305 HA THR A 24 2. 648 3. 344 -6 .190 1.00 0. 00 H ATOMO 306 HB THR A 24 -0. 343 3. 718 -6, .327 1.00 0. 00 H ATOMO 307 HG1 THR A 24 1. 528 2. 655 -8, .170 1.00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 672 5. 854 -6. .905 1.00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 025 5. 067 -8, .322 1.00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 721 5. 046 -8. .070 1.00 0. 00 H ATOMO 311 N GLN A 25 2. 577 5. 773 -5. .450 1.00 0. 00 N ATOMO 312 CA GLN A 25 2. 790 7. 068 -4. .829 1.00 0. 00 c ATOMO 313 C GLN A 25 1. 536 7. 930 -4. .969 1.00 0. 00 c ATOMO 314 o GLN A 25 0. 971 8. 051 -6. .056 1.00 0. 00 o ATOMO 315 CB GLN A 25 3. 988 7. 761 -5. .484 1.00 0. 00 c ATOMO 316 CG GLN A 25 4.207 9.,184 -5.009 1.00 0.00 c ATOMO 317 CD GLN A 25 5.596 9. ,702 -5.327 1 .00 0. ,00 c ATOMO 318 OE1 GLN A 25 5.751 10. ,748 -5.957 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 6.615 8. ,970 -4.891 1 .00 0. 00 N ATOMO 320 H GLN A 25 2.983 5. ,596 -6.321 1 .00 0. 0.0 H ATOMO 321 HA GLN A 25 2.999 6. ,916 -3.782 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4.880 7. ,191 -5.267 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3.837 7. ,781 -6.554 1 .00 0. ,00 H ATOMO 324 1HG GLN A 25 3.480 9. ,819 -5.490 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4.059 9. .214 -3.941 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 6.416 8. ,148 -4.396 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 7.524 9. 282 -5.083 1 .00 0. 00 H ATOMO 328 N GLU A 26 1.108 8. ,524 -3.863 .1 .00 0. 00 N ATOMO 329 CA GLU A 26 -0.077 9. ,373 -3.860 1 .00 0. 00 c ATOMO 330 C GLO A 26 0.081 10. 529 -2.877 1 .00 0. ,00 c ATOMO 331 0 GLU A 26 1.122 10. ,675 -2.236 1 .00 0. ,00 0 ATOMO 332 CB GLU A 26 -1.317 8. 551 -3; 503 1 .00 0. ,00 c ATOMO 333 CG GLO A 26 -1.515 7. 335 -4.393 1 .00 0. ,00 c ATOMO 334 CD GLU A 26 -2.809 6. 603 -4.099 1 .00 0. ,00 c ATOMO 335 OE1 GLO A 26 -3.744 7. 239 -3.569 1 .00 0. ,00 o ATOMO 336 OE2 GLU A 26 -2.888 5. 393 -4.399 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1.602 8. 387 -3.029 1 .00 0. ,00 H ATOMO 338 HA GLU A 26 -0.199 9. 776 -4.853 1 .00 0. ,00 H ATOMO 339 1HB GLU A 26 -1.229 8. 213 -2.482 1 .00 0. ,00 H ATOMO 340 2HB GLU A 26 -2.190 9. 180 -3.591 1 .00 0. ,00 H ATOMO 341 1HG GLU A 26 -1.528 7. 658 -5.424 1 .00 0. ,00 H ATOMO 342 2HG GLO A 26 -0.690 6. 656 -4.241 1 .00 0. ,00 H ATOMO 343 N ARG A 27 -0.959 11. 349 -2.768 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -Ó.940 12. 496 -1.867 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1.909 12. 293 -0.706 1 .00 0. 00 c ATOMO 346 0 ARG A 27 -3.037 11. 837 -0.899 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -1.301 13. 773 -2.628 1 .00 0. 00 c ATOMO 348 CG ARG A 27 -0.181 14. 287 -3.521 1 .00 0. 00 c ATOMO 349 CD ARG A 27 0.527 15. 486 -2.908 1 .00 0. 00 c ATOMO 350 NE ARG A 27 0.162 16. 737 -3.572 1 .00 0. 00 N ATOMO 351 cz ARG A 27 0.444 17. 017 -4.845 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 1.097 16. 141 -5.603 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 0.073 18. 180 -5.362 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1.759 11. 179 -3.309 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0.060 12. 592 -1.472. 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -2.164 13. 576 -3.246 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1.549 14. 545 -1.914 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0.538 13. 496 -3.670 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0.601 14. 577 -4.474 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 0.259 15. 554 -1.864 1 .00 0. 00 H ATOMO 361 2HD ÁRG A 27 1.594 15. 341 -2.996 1, .00 0. 00 H ATOMO 362 HE ARG A 27 -0.320 17. 405 -3.041 1, .00 0. 00 H ATOMO 363 1HH1 ARG A 27 1.382 15. 262 -5.222 1, .00 0. 00 H ATOMO 364 2HH1 ARG A 27 1.303 16. 363 -6.556 1, .00 0. 00 H ATOMO 365 1HH2 ARG. A 27 -0.418 18. 845 -4.798 1. .00 0. 00 H ATOMO 366 2HH2 ARG A 27 0.284 18. 394 -6.317 1. .00 0. 00 H ATOMO 367 N ASN A 28 -1.464 12. 633 0.500 1, ,00 ' 0. 00 N ATOMO 368 CA ASN A 28 -2.293 12. 486 1.691 1, .00 0. 00 c ATOMO 369 c ASN A 28 -3.010 13. 793 2.021 1. ,00 0. 00 c ATOMO 370 O ASN A 28 -2.975 14. 746 1.243 1. ,00 0. 00 0 ATOMO 371 CB AS A 28 -1.439 12. 032 2.880 1, .00 0. 00 c ATOMO 372 CG ASN A 28 -0.432 13. 079 3.316 1. ,00 0. 00 c ATOMO 373 0D1 ASN A 28 -0.219 14.075 2.628 1.00 0.00 0 ATOMO 374 ND2 ASN A 28 0 .191 12 .856 4 .468 1 .00 0 .00 N ATOMO 375 H ASN A 28 -0 .555 12 .990 0 .591 1 .00 0 .00 H ATOMO 376 HA ASN A 28 -3 .034 11 .728 1 .483 1 .00 0 .00 H ATOMO 377 1HB ASN A 28 -2 .085 11 .811 3 .716 1 .00 0 .00 H ATOMO 378 2HB ASN A 28 -0 .901 11 .139 2 .603 1 .00 0 .00 H ATOMO 379 1HD2 ASN A 28 -0 .030 12 .040 4 .963 1 .00 0 .00 H ATOMO 380 2HD2 ASN A 28 0 .847 13 .516 4 .774 1 .00 0 .00 H ATOMO 381 N GLU A 29 -3 .659 13 .829 3 .181 1 .00 0 .00 N ATOMO 382 CA GLU A 29 -4 .382 15 .019 3 .615 1 .00 0 .00 C ATOMO 383 C GLO A 29 -3 .412 16 .140 3 .981 1 .00 0 .00 c ATOMO 384 0 GLU A 29 -3 .723 17 .319 3 .819 1 .00 0 .00 0 ATOMO 385 CB GLU A 29 -5 .286 14 .682 4 .807 1 .00 0 .00 c ATOMO 386 CG GLU A 29 -6 .758 14 .974 4 .555 1 .00 0 .00 c ATOMO 387 CD GLU A 29 -7 .273 16 .142 5 .373 1 .00 0 .00 c ATOMO 388 OE1 GLU A 29 -6 .450 16 .979 5 .798 1 .00 0 .00 0 ATOMO 389 OE2 GLU A 29 -8 .502 16 .219 5 .588 1 .00 0 .00 0 ATOMO 390 H GLU A 29 -3 .650 13 .039 3 .759 1 .00 0 .00 H ATOMO 391 HA GLU A 29 -4 .997 15 .348 2 .792 1 .00 0 .00 H ATOMO 392 1HB GLU A 29 -5 .185 13 .631 5 .033 1 .00 0 .00 H ATOMO 393 2HB GLU A 29 -4 .969 15 .255 5 .667 1 .00 0 .00 H ATOMO 394 1HG GLU A 29 -6 .890 15 .201 3 .507 1 .00 0 .00 H ATOMO 395 2HG GLU A 29 -7 .332 14 .095 4 .806 1 .00 0 .00 H ATOMO 396 N ASN A 30 -2 .237 15 .763 4 .477 1 .00 0 .00 N ATOMO 397 CA ASN A 30 -1 .225 16 .739 4 .866 1 .00 0 .00 c ATOMO 398 C ASN A 30 -0 .591 17 .386 3 .639 1 .00 0 .00 c ATOMO 399 O ASN A 30 -0 .155 18 .536 3 .688 1 .00 ó .00 0 ATOMO 400 CB ASN A 30 -0 .144 16 .073 5, .721 1 .00 0 .00 c ATOMO 401 CG ASN A 30 -0 .724 15 .204 6 .819 1 .00 0 .00 c ATOMO 402 OD1 ASN A 30 -0 .782 13 .980 6, .694 1 .00 0, .00 0 ATOMO 403 ND2 ASN A 30 -1. ,159 15 .834 7. .904 1 .00 0. ,00 N ATOMO 404 H ASN A 30 -2 .047 14 .808 4. .584 1 .00 0. .00 H ATOMO 405 HA ASN A 30 -1. .711 17 .504 5, .451 1, .00 0. ,00 H ATOMO 0.6 1HB ASN A 30 0. .476 15 .455 5. .088 1 .00 0. .00 H ATOMO 407 2HB ASN A 30 0, .467 16 .838 6. .178 1 .00 0. ,00 H ATOMO 408 1HD2 ASN A 30 -1, .082 16, .810 7. .935 1. .00 0. ,00 H ATOMO 409 2HD2 ASN A 30 -1. .539 15, .296 8. .630 1, .00 0. .00 H ATOMO 410 N GLY A 31 -0, .542 16, .642 2. .538 1. .00 0. ,00 N ATOMO 411 CA GLY A 31 0. .040 17, .165 1. .316 1. .00 0. ,00 c . ATOMO 412 c . GLY A 31 1, .425 16, .608 1. .024 1. .00 0. ,00 c ATOMO 413 o GLY A 31 2. .123 17. .108 0. ,142 1. .00 0. ,00 0 ATOMO 414 H GLY A 31 -Ó . ;904 15. .729 2. .555 1. .00 0. ,00 H ATOMO 415 1HA GLY A 31 -0. .611 16. .923 0. ,489 1. .00 0. 00 H ATOMO 416 2HA GLY A 31 0. ,110 18. .241 1. 398 1. .00 0. 00 H ATOMO 417 N HIS A 32 1. .827 15, .570 1. 756 1. .00 0. 00 N ATOMO 418 CA HIS A 32 3. 133 14. ,956 1. 554 1. ,00 0. 00 c ATOMO 419 C HIS A 32 3. .003 13, .676 0. 736 1. ,00 0. 00 c ATOMO 420 o HIS A 32 1. ,943 13. ,050 0. 713 1. .00 0. 00 0 ATOMO 421 CB HIS A 32 3. 792 14. ,651 2. 901 1. 00 0. 00 c ATOMO 422 CG HIS A 32 5. 268 14. ,423 2. 805 1. 00 0. 00 c ATOMO 423 ND1 HIS A 32 5. 834 13. ,166 2. 758 1. 00 0. 00 N ATOMO 424 CD2 HIS A 32 6. 299 15. 299 2. 748 1. 00 0. 00 c ATOMO 425 CE1 HIS A 32 7. 148 13. ,279 2. 676 1. 00 0. 00 c ATOMO 426 NE2 HIS A 32 7. 455 14. 563 2. 668 1. 00 0. 00 N ATOMO 427 H HIS A 32 1. 232 15. 204 2. 442 1. 00 0. 00 H ATOMO 428 HA HIS A 32 3. 749 15. 657 1. 011 1. 00 0 . 00 H ATOMO 429 1HB HIS A 32 3. 628 15. 482 3. 570 1. 00 0. 00 H ATOMO 430 2HB HIS A 32 3.342 13.762 3.320 1.00 0.00 H ATOMO 431 HDl HIS A 32 5 .346 12 .316 2 .782 1 .00 0 .00 H ATOMO 432 HD2 HIS A 32 6 .225 16 .377 2 .761 1 .00 0 .00 H ATOMO 433 HEl HIS A 32 7 .850 12 .461 2 .624 1 .00 0 .00 H ATOMO 434 HE2 HIS A 32 8 .352 14 .927 2 .515 1 .00 0 .00 H ATOMO 435 N THR A 33 4 .082 13.292 0 .063 1 .00 0 .00 N ATOMO 436 CA THR A 33 4 .076 12 .086 -0.754 1 .00 0 .00 C ATOMO 437 C THR A 33 3 .960 10 .839 0 .113 1 .00 0 .00 c ATOMO 438 O THR A 33 4 .627 10 .717 1 .141 1 .00 0 .00 0 ATOMO 439 CB THR A 33 5 .342 12 .008 -1 .608 1 .00 0 .00 c ATOMO 440 OGl THR A 33 5 .488 13 .175 -2 .397 1 .00 0 .00 o ATOMO 441 CG2 THR A 33 5 .355 10 .816 -2 .542 1 .00 0 .00 c ATOMO 442 H THR A 33 4 .898 13 .831 0 .117 1 .00 0 .00 H ATOMO 443 HA THR A 33 3 .216 12 .135 -1 .407 1 .00 0 .00 H ATOMO 444 HB THR A 33 6 .199 11 .927 -0 .956 1 .00 0 .00 H ATOMO 445 HG1 THR A 33 4 .712 13 .288 -2 .951 1 .00 0 .00 H ATOMO 446 1HG2 THR A 33 6 .364 10 .634 -2 .B81 1 .00 0 .00 H ATOMO 447 2HG2 THR A 33 4 .720 11 .018 -3 .392 1 .00 0 .00 H ATOMO 448 3HG2 THR A 33 4 .988 9 .944 -2 .019 1 .00 0 .00 H ATOMO 449 N VAL A 34 3 .109 9 .913 -0 .312 1 .00 0 .00 N ATOMO 450 CA VAL A 34 2 .900 8 .670 0 .417 1 .00 0 .00 c ATOMO 451 C VAL A 34 2 .658 7 .515 -0 .545 1 .00 0, .00 c ATOMO 452 0 VAL A 34 2 .503 7 .718 -1 .747 1 .00 0, .00 0 ATOMO 453 CB VAL A 34 1 .707 8 .781 1, .388 1 .00 0, .00 c ATOMO 454 CGl VAL A 34 1 .988 9 .819 2, .462 1 .00 0, .00 c ATOMO 455 CG2 VAL A 34 0 .429 9 .118 0 .633 1 .00 0, .00 c ATOMO 456 H VAL A 34 2 .608 10 .070 -1. .141 1, .00 0. .00 H ATOMO 457 HA VAL A 34 3 .790 8 .465 0, .994 1 .00 0. .00 H ATOMO 458 HB VAL A 34 1 .572 7 .823 1. .870 1, .00 0. .00 H ATOMO 459 1HG1 VAL A 34 2 .166 10, .778 1. .998 1, .00 0. .00 H ATOMO 460 2HG1 VAL A 34 2 .859 9, .525 3. .029 .1. .00 0. .00 H ATOMO 461 3HG1 VAL A 34 1. .136 9. .892 3. ,123 1, .00 0. .00 H ATOMO 462 1HG2 VAL A 34 0, .495 10. .124 0. .245 1. ,00 0. ,00 H ATOMO 463 2HG2 VAL A 34 -0, .415 9. .046 1. ,303 1. .00 o: ,00 H ATOMO 464 3HG2 VAL A 34 0. .300 8. .425 -0. ,185 1. .00 0. .00 H ATOMO 465 N TYR A 35 2. .625 6, .301 -0. 010 1. .00, 0. ,00 N ATOMO 466 CA TYR A 35 2, 1398 5. .113 -0. 826 1. ,00 0. ,00 c ATOMO 467 C TYR A 35 1. .079 4. .449 -0. 448 1. ,00 0. 00 c ATOMO 468 0 TYR A 35 0. .856 4. .114 0. 716 1. ,00 0. 00 0 ATOMO 469 CB TYR A 35 3. .552 4. .120 -0. 663 1. ,00 0. 00 c ATOMO 470 CG TYR A 35 4. ,919 4. ,768 -0 . 648 1. 00 0. 00 c ATOMO 471 CDl. TYR A 35 5. .414 5. ,416 -1. 773 1. 00 0. 00 c ATOMO 472 CD2 TYR A 35 5. .715 4. 729 0. 490 1. 00 0. 00 c ATOMO 473 CEl TYR A 35 6. ,663 6. 008 -1. 763 1. 00 0. 00 c ATOMO 474 CE2 TYR A 35 6. 964 5. 319 0. 508 1. 00 0. 00 c ATOMO 475 CZ TYR A 35 7. 434 5. 956 -0. 621 1. 00 0. 00 c ATOMO 476 OH TYR A 35 8. 677 6. 545 -0. 608 1. 00 0. 00 0 ATOMO 477 H TYR A 35 2. 755 6. 202 0 . 956 1. 00 0. 00 H ATOMO 478 HA TYR A 35 2. 346 5. 424 -1. 860 1. 00 0 . 00 H ATOMO 479 1HB TYR A 35 3. 429 3. 586 0. 268 1. 00 0. 00 H ATOMO 480 2HB TYR A 35 3. 528 3. 417 -1. 481 1. 00 0. 00 H ATOMO 481 HDl TYR A 35 4. 808 5. 455 -2. 665 1. 00 0. 00 H ATOMO 482 HD2 TYR A 35 5. 345 4. 228 1. 373 1. 00 0 . 00 H ATOMO 483 HEl TYR A 35 7. 029 6. 509 -2. 648 1. 00 0. 00 H ATOMO 484 HE2 TYR A 35 7. 568 5. 279 1. 402 1. 00 0. 00 H ATOMO 485 HH TYR A 35 9. 340 5. 898 -0. 860 1. 00 0. 00 H ATOMO 486 N TYR A 36 0. 201 4. 271 -1. 432 1. 00 0. 00 N ATOMO 487 CA TYR A 36 -1.100 3.655 -1.186 1.00 0.00 C ATOMO 488 C TYR A 36 -1. 318 2 .439 -2. 081 1 .00 0. 00 C ATOMO 489 O TYR A 36 -0. 585 2 .220 -3. 044 1 .00 0. 00 0 ATOMO 490 CB TYR A 36 -2. 218 4 .676 -1. 409 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2. 661 5 .374 -0. 143 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -1. 833 6 .289 0. ,495 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -3. .907 5 .117 0. ,415 1 .00 0. 00 c ATOMO 494 CE1 TYR A 36 -2. 234 6 .929 1. 652 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4. ,316 5 .753 1. ,572 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3. 476 6 .657 2. 186 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -3. 879 7 .293 3. ,339 1 .00 0. 00 0 ATOMO 498 H TYR A 36 0. 428 4 .565 -2. 339 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1. ,124 3 .332 -0. ,157 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -1. 874 5 .431 -2. ,100 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3. 078 4 .175 -1. 831 1 .00 0. 00 H ATOMO 502 HD1 TYR A 36 -0. 861 6 .500 0. ,073 1 .00 0. 00 H ATOMO 503 HD2 TYR A 36 -4. ,562 4 .408 -0. ,068 1 .00 0. 00 H ATOMO 504 HE1 TYR .A 36 -1. 576 7 .637 2. 134 1 .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5. ,288 5 .540 1. 990 1 .00 0. 00 H ATOMO 506 HH TYR A 36 -4. 186 6 .641 3. ,973 1 .00 0. 00 H ATOMO 507 N CYS A 37 -2. ,335 1 .650 -1. .746 1 .00 0. 00 N ATOMO 508 CA CYS A 37 -2. ,659 0 .445 -2. ,508 .1 .00 0. 00 c ATOMO 509 C CYS A 37 -3. ,833 0 .695 -3. .447 1 .00 0. 00 c ATOMO 510 O CYS A 37 -4. 845 1 .277 -3. 055 1 .00 0. 00 0 ATOMO 511 CB CYS A 37 -2. 992 -0 .709 -1. .560 1 .00 0. 00 c ATOMO 512 SG CYS A 37 -1. 527 -1 .529 -0. 856 1 .00 6. 00 s ATOMO 513 H CYS A 37 -2. 872 1 .880 -0. 959 1 .00 0. 00 H ATOMO 514 HA CYS A 37 -1. 795 0 .177 -3. 096 1 .00 0. 00 H ATOMO 515 1HB CYS A 37 -3. 591 -0 .338 -0. 741 1 .00 0. 00 H ATOMO 516 2HB CYS A 37 -3. 557 -1 .455 -2. 095 1 .00 0. 00 H ATOMO 517 N ARG A 38 -3. 687 0 .252 -4. 692 1 .00 0. 00 N ATOMO 518 CA ARG A 38 -4. 728 0 .425 -5. 695 1 .00 0. 00 c ATOMO 519 C ARG A 38 -5. 026 -0 .893 -6. 395 1 .00 0. 00 c' ATOMO 520 0 ARG A 38 -4. 122 -1 .563 -6. 892 1 .00 0. 00 0 ATOMO 521 CB ARG A 38 -4. 306 1 .477 -6. 721 1 .00 0. 00 c ATOMO 522 CG ARG A 38 -4. 044 2 .846 -6. 116 1 .00 0. 00 c ATOMO 523 CD ARG A 38 -5. 341 3 .555 -5. 765 1 .00 0. 00 c ATOMO 524 NE ARG A 38 -5. 245 5 .002 -5. 959 1 .00 0. 00 N ATOMO 525 CZ ARG A 38 -6. 223 5 .861 -5. 669 1 .00 0. 00 c ATOMO 526 NH1 ARG A 38 -7. 376 5 .430 -5. 170 1 .00 0. 00 N ATOMO 527 NH2 ARG A 38 -6. 044 7 .159 -5. 879 1 .00 0. 00 N ATOMO 528 H ARG A 38 -2. 856 -0 .203 -4. 943 1 .00 0. 00 H ATOMO 529 HA ARG A 38 -5. 621 0 .762 -5. 191 1 .00 0. 00 H ATOMO 530 1HB ARG A 38 -3. 403 1 .145 -7. 211 1 .00 0. 00 H ATOMO 531 2HB ARG A 38 -5. 089 1 .578 -7. 460 1 .00 0. 00 H ATOMO 532 1HG ARG A 38 -3. 458 2 .727 -5. 218 1 .00 0. 00 H ATOMO 533 2HG ARG A 38 -3. 498 3 .446 -6. 829 1 .00 0. 00 H ATOMO 534 1HD ARG A 38 -6. 129 3 .170 -6. 396 1 .00 0. 00 H ATOMO 535 2HD ARG A 38 -5. 579 3 .355 -4. 731 1 .00 0. 00 H ATOMO 536 HE ARG A 38 -4. 406 5 .351 -6. 325 1 .00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7. 521 4 .456 -5. 007 1, .00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8. 102 6 .085 -4. 957 1 .00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5. 178 7 .490 -6. 255 1, .00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6. 776 7 .805 -5. 664 1 .00 0. 00 H ATOMO 541 N ALA A 39 -6. 300 -1 .258 -6. 429 1, .00 0. 00 N ATOMO 542 CA ALA A 39 -6. 724 -2 .497 -7. 066 1 .00 0. 00 c ATOMO 543 C ALA A 39 -6. 568 -2 .419 -8. 581 1, .00 0. 00 c ATOMO 544 O ALA A 39 -6.908 -1.363 -9.155 1.00 0.00 0 ATOMO 545 CB ALA A 39 -8 .166 -2. 812 -6 .698 1 .00 0. 00 c ATOMO 546 OXT. ALA A 39 -6 .105 -3. 412 -9 .180 1 .00 0. 00 o ATOMO 547 H ALA A 39 -6 .971 -0. 679 -6 .013 1 .00 0. 00 H ATOMO 548 HA ALA A 39 -6 .099 -3. 294 -6 .690 1 .00 0. 00 H ATOMO 549 1HB ALA A 39 -8 .495 -3. 686 -7 .242 1 .00 0. 00 H ATOMO 550 2HB ALA A 39 -8 .794 -1. 972 -6 .953 1 .00 0. 00 H ATOMO 551 3HB ALA A 39 -8 .234 -3. 003 -5 .637 1 .00 0. 00 H TER 552 ALA A 39 ENDMDL MODELO 9 ATOMO 1 N GLY A 1 -2 .040 -14. 296 2 .229 1 .00 0. 00 N ATOMO 2 CA GLY A 1 -2 .535 -14. 120 3 .622 1 .00 0. 00 c ATOMO 3 C GLY A 1 -2 .396 -12. 692 4 .110 1 .00 0. 00 c ATOMO 4 0 GLY A 1 -3 .371 -11. 939 4 .136 1 .00 0. 00 o ATOMO 5 1H GLY A 1 -1 .005 -14. 216 2 .205 1 .00 0. 00 H ATOMO 6 2H GLY A 1 -2 .448 -13. 567 1 .609 1 .00 0. 00 H ATOMO 7 3H GLY A 1 -2 .315 -15. 233 1 .868 1 .00 0. 00 H ATOMO 8 1HA GLY A 1 -3 .577 -14. 402 3 .661 1 .00 0. 00 H ATOMO 9 2HA GLY A 1 -1 .973 -14. 769 4 .277 1 .00 0. oó H ATOMO 10 N SER A 2 -1 .182 -12. 317 4 .499 1 .00 0. 00 N ATOMO 11 CA SER A 2 -0 .919 -10. 969 4 .989 1 .00 0. 00 c ATOMO 12 C SER A 2 -0 .670 -10. 008 3 .831 1 .00 0. 00 c ATOMO 13 O SER A 2 0 .323 -10. 128 3 .114 1 .00 0. 00 0 ATOMO 14 CB SER A 2 0 .286 -10. 972 5 .932 1 .00 0. 00 c ATOMO 15 OG SER A 2 0 .238 -12. 076 6 .819 1 .00 0. 00 0 ATOMO 16 H SER A 2 -0 .445 -12. 961 4 .455 1 .00 0. 00 H ATOMO 17 HA SER A 2 -1 .790 -10. 638 5 .534 1 .00 0. 00 H ATOMO 18 1HB SER A 2 1 .195 -11. 032 5 .353 1 .00 0. 00 H ATOMO 19 2HB SER A 2 0 .289 -10. 060 6 .511 1 .00 0. 00 H ATOMO 20 HG SER A 2 0 .488 -11. 791 7 .700 1 .00 0. 00 H ATOMO 21 N CYS A 3 -1 .575 -9. 051 3 .658 1 .00 0. 00 N ATOMO 22 CA CYS A 3 -1 .453 -8. 066 2 .591 1 .00 0. 00 c ATOMO 23 C CYS A 3 -2 .139 -6. 762 2 .979 1 .00 0. 00 c ATOMO 24 o CYS A 3 -2 .902 -6. 712 3 .944 1 .00 0. 00 o ATOMO 25 CB CYS A 3 -2 .050 -8. 605 1 .288 1 .00 0. 00 c ATOMO 26 SG CYS A 3 -3 .821 -9. 034 1 .388 1 .00 0. 00 S ATOMO 27 H CYS A 3 -2 .343 -9. 002 4 .265 1 .00 0. 00 H ATOMO 28 HA CYS A 3 -0 .401 -7. 873 2 .441 1' .00 0. 00 H ATOMO 29 1HB CYS A 3 -1 .940 -7. 859 0 .515 1 .00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .513 -9. 496 0 .997 1 .00 0. 00 H ATOMO 31 N VAL A 4 -1 .863 -5. 710 2 .220 1 .00 0. 00 N ATOMO 32 CA VAL A 4 -2 .449 -4. 406 2 .475 1 .00 0. 00 c ATOMO 33 C VAL A 4 -3. .783 -4. 259 1 .736 1 .00 0. 00 c ATOMO 34 O VAL A 4 -3 .860 -4. 537 0 .543 1 .00 0. 00 0 ATOMO 35 CB VAL A 4 -1. .489 -3. 292 2 .026 1 .00 0. 00 c ATOMO 36 CG1 VAL A 4 -2 .096 -1. 915 2 .250 1 .00 0. 00 c ATOMO 37 CG2 VAL A 4 -0, .162 -3. 423 2 .755 1 .00 0. 00 c ATOMO 38 H VAL A 4 -1. .249 -5. 812 1 .466 1 .00 0. 00 H ATOMO 39 HA VAL A 4 -2. .607 -4. 314 3 ,536 1 .00 0. 00 H ATOMO 40 HB VAL A 4 -1. .304 -3. 412 0 .969 1 .00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1, .327 -1. 164 2 .171 1 .00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2. .543 -1. 877 3 .231 1 .00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2, ,855 -1. 735 1 .502 1 .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0. .396 -4. 249 2 .339 1 .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0, .347 -3. 604 3 .804 1 .00 0. 00 H ATOMO 46 3HG2 VAL A 4 0. .403 -2. 511 2 .641 1 .00 0. 00 H ATOMO 47 N PRO A 5 -4.853 -3.809 2.417 1.00 0.00 N ATOMO 48 CA PRO A 5 -6. 155 -3 .635 1 .773 1.00 0.00 c ATOMO 49 C PRO A 5 -6. 124 -2 .523 0 .731 1.00 0.00 C ATOMO 50 0 PRO A 5 -5. 551 -1 .451 0 .960 1.00 0.00 o ATOMO 51 CB PRO A 5 -7. 102 -3 .266 2 .926 1.00 0.00 C ATOMO 52 CG PRO A 5 -6. 347 -3 .567 4 .179 1.00 0.00 C ATOMO 53 CD PRO A 5 -4. 893 -3 .425 3 .837 1.00 0.00 C ATOMO 54 HA PRO A 5 -6. 489 -4 .554 1 .306 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7. 357 -2 .220 2 .863 1.00 0.00 H ATOMO 56 2HB PRO A 5 -8. 000 -3 .862 2 .858 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6. 620 -2 .861 4 .950 1.00 0.00 H ATOMO 58 2HG PRO A 5 -6. 558 -4 .576 4 .502 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4. 569 -2 .403 3 .970 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4. 297 -4 .093 4 .435 1.00 0.00 H ATOMO 61 N VAL A 6 -6. 752 -2 .767 -0 .416 1.00 0.00 N ATOMO 62 CA VAL A 6 -6. 794 -1 .778 -1 .476 1.00 0.00 c ATOMO 63 C VAL A 6 -7. 430 -0 .499 -0 .963 1.00 0.00 C ATOMO 64 0 VAL A 6 -8. 257 -0 .528 -0 .053 1.00 0.00 o ATOMO 65 CB VAL A 6 -7. 556 -2 .307 -2 .705 1.00 0.00 c ATOMO 66 CG1 VAL A 6 -7. 652 -1 .251 -3 .794 1.00 0.00 c ATOMO 67 CG2 VAL A 6 -6. 872 -3 .554 -3 .234 1.00 0.00 c ATOMO 68 H VAL A 6 -7. 203 -3 .621 -0 .546 1.00 0.00 H ATOMO 69 HA VAL A 6 -5. 776 -1 .566 -1 .771 1.00 0.00 H ATOMO 70 HB VAL A 6 -8. 557 -2 .573 -2 .400 1.00 0.00 H ATOMO 71 1HG1 VAL A 6 -8. 310 -0 .459 -3 .470 1.00 0.00 H ATOMO 72 2HG1 VAL A 6 -8. 043 -1 .700 -4 .694 1.00 0.00 H ATOMO 73 3HG1 VAL A 6 -6. 670 -0 .847 -3 .989 1.00 0.00 H ATOMO 74 1HG2 VAL A 6 -5. 814 -3 .500 -3 .013 1.00 0.00 H ATOMO 75 2HG2 VAL A 6 -7. 013 -3 .615 -4 .301 1.00 0.00 H ATOMO 76 3HG2 VAL A 6 -7. 294 -4 .426 -2 .760 1.00 0.00 H ATOMO 77 N ASP A 7 -7. 004 0 .623 -1 .525 1.00 0.00 N ATOMO 78 CA ASP A 7 -7. 482 1 .929 -1 .115 1.00 0.00 c ATOMO 79 C ASP A 7 -6. 878 2 .332 0 .233 1.00 0.00 c ATOMO 80 O ASP A 7 . -7. 230 3 .376 0 .783 1.00 0.00 o ATOMO 81 CB ASP A 7 -9. 010 1 .961 -1 .050 1.00 0.00 c ATOMO 82 CG ASP A 7 -9. 655 1 .405 -2 .304 1.00 0.00 c ATOMO 83 OD1 ASP A 7 -10. 137 0 .253 -2 .263 1.00 0.00 o ATOMO 84 OD2 ASP A 7 -9. 678 2 .122 -3 .327 1.00 0.00 o ATOMO 85 H ASP A 7 -6. 326 0 .573 -2 .215 1.00 0.00 H ATOMO 86 HA ASP A 7 -7. 153 2 .640 -1 .859 1.00 0.00 H ATOMO 87 1HB ASP A 7 -9. 340 1 .373 -0 .208 1.00 0.00 H ATOMO 88 2HB ASP A 7 -9. 330 2 .979 -0 .923 1.00 0.00 H ATOMO 89 N GLN A 8 -5. 954 1 .514 0 .765 1.00 0.00 N ATOMO 90 CA GLN A 8 -5. 315 1 .827 2 .033 1.00 0.00 c ATOMO 91 C GLN A 8 -3. 819 2 .062 1 .831 1.00 0.00 c ATOMO 92 O GLN A 8 -3. 232 1 .558 0, .874 1.00 0.00 o ATOMO 93 CB GLN A 8 -5. 537 0 .708 3 .051 1.00 0.00 c ATOMO 94 CG GLN A 8 -6. 998 0 .336 3 .239 1.00 0.00 c ATOMO 95 CD GLN A 6 -7. 808 1 .454 3, .864 1.00 0.00 c ATOMO 96 OE1 GLN A 8 -7. 504 1 .917 4, .964 1.00 0.00 0 ATOMO 97 NE2 GLN A 8 -8. 848 1 .895 3, .165 1.00 0.00 N ATOMO 98 H GLN A 8 -5. 687 0 .694 0, .295 1.00 0.00 H ATOMO 99 HA GLN A 8 -5. 758 2 .736 2. .405 1.00 0.00 H ATOMO 100 1HB GLN A 8 -5. 002 -0, .170 2. .724 1.00 0.00 H ATOMO 101 2HB GLN A 8 -5. 143 1, .024 4. .006 1.00 0.00 H ATOMO 102 1HG GLN A 8 -7. 424 0, .100 2. .275 1.00 0.00 H ATOMO 103 2HG GLN A 8 -7. 055 -0. .532 3. .879 1.00 0.00 H ATOMO 104 1HE2 GLN A 8 -9.031 1.479 2.296 1.00 0.00 H ATOMO 105 2HE2 GLN A 8 -9. 389 2 .618 3. 545 1 .00 0.00 H ATOMO 106 N PRO A 9 -3. 181 2 .842 2. 721 1 .00 0.00 N ATOMO 107 CA PRO A 9 -1. 752 3 .145 2. 613 1 .00 0.00 c ATOMO 108 C PRO A 9 -0. 862 1 .921 2. 774 1 .00 0.00 c ATOMO 109 O PRO A 9 -1. 120 1 .046 3. 601 1 .00 0.00 o ATOMO 110 CB PRO A 9 -1. .494 4 .137 3. 746 1 .00 0.00 c ATOMO 111 CG PRO A 9 -2. .617 3 .936 4. 706 1 .00 0.00 c ATOMO 112 CD PRO A 9 -3. 797 3 .504 3. 887 1 .00 0.00 c ATOMO 113 HA PRO A 9 -1. 527 3 .618 1. 669 1 .00 0.00 H ATOMO 114 1HB PRO A 9 -0. 538 3 .922 4. 205 1 .00 0.00 H ATOMO 115 2HB PRO A 9 -1. 485 5 .136 3. 346 1 .00 0.00 H ATOMO 116 1HG PRO A 9 -2. ,356 3 .169 5. 419 1 .00 0.00 H ATOMO 117 2HG PRO A 9 -2. 835 4 .861 5. 214 1 .00 0.00 H ATOMO 118 1HD PRO A 9 -4. ,409 2 .812 4. 446 1 .00 0.00 H ATOMO 119 2HD PRO A 9 -4. 379 4 .360 3. 579 1 .00 0.00 H ATOMO 120 N CYS A 10 0. 200 1 .889 1. 982 1 .00 0.00 N ATOMO 121 CA CYS A 10 1. 166 0 .800 2. 022 1 .00 0.00 c ATOMO 122 C CYS A 10 2. 584 1 .354 2. 089 1 .00 0.00 c ATOMO 123 O C S A 10 2. 786 2 .567 2. 136 1 .00 0.00 o ATOMO 124 CB CYS A 10 1. 018 -0 .101 0. 795 1 .00 0.00 c ATOMO 125 SG CYS A 10 0. 857 0 .802 -0. 781 1 .00 0.00 s ATOMO 126 H CYS A 10 0. 343 2 .630 1. 357 1 .00 0.00 H ATOMO 127 HA CYS A 10 0. 976 0 .219 2. 912 1 .00 0.00 H ATOMO 128 1HB CYS A 10 1. 883 -0 .739 0. 718 1 .00 0.00 H ATOMO 129 2HB CYS A 10 0. 139 -0 .713 0. 915 1 .00 0.00 H ATOMO 130 N SER A 11 3. 560 0 .459 2. 088 1 .00 0.00 N ATOMO 131 CA SER A 11 4. 961 0 .857 2. 145 1 .00 0.00 c ATOMO 132 C SER A 11 5. 819 -0 .030 1. 253 1 .00 0.00 c ATOMO 133 O SER A 11 5. 491 -1 .192 1. 012 1 .00 0.00 o ATOMO 134 CB SER A 11 5. 477 0 .803 3. 582 1 .00 0.00 c ATOMO 135 OG SER A 11 6. 372 1 .869 3. 845 1 .00 0.00 o ATOMO 136 H SER A 11 3. 334 -0 .491 2. 046 1 .00 0.00 H ATOMO 137 HA SER A 11 5. 030 1 .875 1. 788 1 .00 0.00 H ATOMO 138 1HB SER A 11 4. 643 0 .873 4. 263 1 .00 0.00 H ATOMO 139 2HB SER A 11 5. 993 -0 .132 3. 740 1 .00 0.00 H ATOMO 140 HG SER A 11 5. 880 2 .688 3. 926 1.00 0.00 H ATOMO 141 N LEU A 12 6. 917 0 .529 0. 768 1 .00 0.00 N ATOMO 142 CA LEU A 12 7. 833 -0 .203 -0. 101 1 .00 0.00 c ATOMO 143 C LEU A 12 8. 569 -1 .305 0. 661 1 .00 0.00 c ATOMO 144 O LEU A 12 9. 070 -2 .255 0. 057 1 .00 0.00 o ATOMO 145 CB LEU A 12 8.. 842 0 .752 -0. 753 1 .00 0.00 c ATOMO 146 CG LEU A 12 9. 605 1 .676 0. 203 1 .00 0.00 c ATOMO 147 CD1 LEU A 12 10. 558 0 .879 1. 080 1 .00 0.00 c ATOMO 148 CD2 LEU A 12 10. 364 2 .735 -0. 584 1 .00 0.00 c ATOMO 149 H LEU A 12 7. 115 1 .458 1. 001 1 .00 0.00 H ATOMO 150 HA LEU A 12 7. 242 -0 .663 -0. 878 1 .00 0.00 H ATOMO 151 1HB LEU A 12 9. 564 0 .158 -1. 295 1 .00 0.00 H ATOMO 152 2HB LEU A 12 8. 309 1 .369 -1. 462 1 .00 0.00 H ATOMO 153 HG LEU A 12 8. 904 2 .181 0. 848 1 .00 0.00 H ATOMO 154 1HD1 LEU A 12 11. 457 1 .453 1. 252 1 .00 0.00 H ATOMO 155 2HD1 LEU A 12 10. 811 -0 .048 0. 588 1 .00 0.00 H ATOMO 156 3HD1 LEU A 12 10. 082 0 .666 2. 026 1 .00 0.00 H ATOMO 157 1HD2 LEU A 12 9. 776 3 .037 -1. 438 1. .00 0.00 H ATOMO 158 2HD2 LEU A 12 11. 305 2 .327 -0. 921 1 .00 0.00 H ATOMO 159 3HD2 LEU A 12 10. 547 3 .591 0. 048 1. .00 0.00 H ATOMO 160 N ASN A 13 8. 635 -1 .181 1. 986 1 .00 0.00 N ATOMO 161 CA ASN A 13 9.311 -2.173 2.812 1.00 0.,00 C ATOMO 162 C ASN A 13 8 .314 -3 .044 3 .580 1 .00 0. .00 C ATOMO 163 0 ASN A 13 8 .704 -3 .801 4 .468 1 .00 0. 00 o ATOMO 164 CB ASN A 13 10 .259 -1 .482 3 .794 1 .00 0. ,00 C ATOMO 165 CG ASN A 13 9 .548 -0 .467 4 .668 1 .00 0. ,00 C ATOMO 166 OD1 ASN A 13 8 .332 -0 .530 4 .848 1 .00 0. .00 0 ATOMO 167 ND2 ASN A 13 10 .306 0 .476 5 .216 1 .00 0. ,00 N ATOMO 168 H ASN A 13 8 .220 -0 .409 2 .418 1 .00 0. .00 H ATOMO 169 HA ASN A 13 9 .890 -2 .804 2 .157 1 .00 0. .00 H ATOMO 170 1HB ASN A 13 10 .709 -2 .226 4 .434 1 .00 0. ,00 H ATOMO 171 2HB ASN A 13 11 .033 -0 .973 3 .240 1 .00 0. .00 H ATOMO 172 1HD2 ASN A 13 11 .267 0 .465 5 .028 1 .00 0. .00 H ATOMO 173 2HD2 ASN A 13 9 .872 1 .145 5 .786 1 .00 0. .00 H ATOMO 174 N THR A 14 7 .026 -2 .941 3 .239 1 .00 0. ,00 N ATOMO 175 CA THR A 14 5 .998 -3 .726 3 .908 1 .00 0. ,00 C ATOMO 176 C THR A 14 5 .431 -4 .785 2 .969 1 .00 0. .00 c ATOMO 177 0 THR A 14 5 .889 -4 .935 1 .835 1 .00 0. ,00 o ATOMO 178 CB THR A 14 4 .876 -2 .814 4 .405 1 .00 0. ,00 c ATOMO 179 OG1 THR A 14 4 .312 -2 .082 3 .332 1 .00 0. .00 o ATOMO 180 CG2 THR A 14 5 .331 -1 .819 5 .450 1 .00 0. .00 c ATOMO 181 H THR A 14 6 .761 -2 .328 2 .527 1 .00 0. ,00 H ATOMO 182 HA THR A 14 6 .454 -4 .216 4 .753 1 .00 0. ,00 H ATOMO 183 HB THR A 14 4 .099 -3 .422 4 .846 1 .00 0. .00 H ATOMO 184 HG1 THR A 14 3 .360 -2 .025 3 .447 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 4 .648 -0 .982 5 .473 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 6 .323 -1 .467 5 .204 1 .00 0. 00 H ATOMO 187 3HG2 THR A 14 5 .348 -2 .295 6 .419 1 .00 0. 00 H ATOMO 188 N GLN A 15 4 .431 -5 .516 3 .446 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3 .795 -6 .558 2 .653 1 .00 0. 00 c ATOMO 190 C GLN A 15 3 .055 -5 .959 1 .456 1 .00 0. 00 c ATOMO 191 O GLN A 15 2 .640 -4 .801 1 .497 1 .00 0. 00 0 ATOMO 192 CB GLN A 15 2 .822 -7 .356 3 .520 1 .00 0. 00 c ATOMO 193 CG GLN A 15 3 .458 -7 .943 4 .770 1 .00 0. 00 c ATOMO 194 CD GLN A 15 4 .324 -9 .152 4 .471 1 .00 0. 00 c ATOMO 195 OE1 GLN A 15 5 .512 -9 .174 4 .792 1 .00 0. 00 o ATOMO 196 NE2 GLN A 15 3 .730 -10 .167 3 .853 1 .00 0. 00 N ATOMO 197 H GLN A 15 4 .109 -5 .349 4 .355 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4 .569 -7 .220 2 .291 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 2 .015 -6 .708 3 .825 1, .00 0. 00 H ATOMO 200 2HB GLN A 15 2 .419 -8 .166 2 .934 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 4 .071 - .187 5 .236 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 2 .674 -8, .240 5 .452 1, .00 0. 00 H ATOMO 203 1HE2 GLN A 15 2 .780 -10, .080 3 .628 1, .00 0. 00 H ATOMO 204 2HE2 GLN A 15 .266 -10 .961 3 .648 1, .00 0. 00 H ATOMO 205 N PRO A 16 2 .873 -6 .738 0, .368 1. .00 0. 00 N ATOMO 206 CA PRO A 16 2 .173 -6, .258 -0, .829 1. .00 0. 00 c ATOMO 207 C PRO A 16 0 .711 -5, .932 -0, .545 1, .00 0. 00 c ATOMO 208 0 PRO A 16 0 .251 -6. .045 0. .592 1, .00 0. 00 o ATOMO 209 CB PRO A 16 2 .280 -7, .430 -1. .810 1. .00 0. 00 c ATOMO 210 CG PRO A 16 2 .529 -8, .626 -0. .957 1. ,00 0. 00 c ATOMO 211 CD PRO A 16 3, .325 -8, .134 0. .217 1, .00 0. 00 c ATOMO 212 HA PRO A 16 2, .658 -5. .388 -1. .247 1. .00 0. 00 H ATOMO 213 1HB PRO A 16 1, .357 -7. .525 -2. .362 1. .00 0. 00 H ATOMO 214 2HB PRO A 16 3, .098 -7. .256 -2. .494 1. .00 0. 00 H ATOMO 215 1HG PRO A 16 1, .589 -9. .044 -0. .626 1. .00 0. 00 H ATOMO 216 2HG PRO A 16 3. .094 -9. .361 -1. .511 1. ,00 0. 00 H ATOMO 217 1HD PRO A 16 3. .092 -8. .714 1. ,100 1. .00 0. 00 H ATOMO 218 2HD PRO A 16 4.382 -8.177 0.003 1.00 0.00 H ATOMO 219 N CYS A 17 -0 .015 -5. 528 -1 .581 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1 .424 -5. 186 -1 .435 1 .00 0. 00 C ATOMO 221 C CYS A 17 -2 .307 -6. 418 -1 .602 1 .00 0. 00 c ATOMO 222 0 CYS A 17 -1 .825 -7. 514 -1 .885 1 .00 0. 00 0 ATOMO 223 CB CYS A 17 -1 .825 -4. 115 -2 .450 1 .00 0. 00 C ATOMO 224 SG CYS A 17 -0 .811 -2. 602 -2 .380 1 .00 0. 00 S ATOMO 225 H CYS A 17 0 .404 -5. 456 -2 .463 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1 .567 -4. 793 -0 .440 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1 .738 -4. 521 -3 .446 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2 .851 -3. 829 -2 .271 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3 .605 -6. 221 -1 .415 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4 .578 -7. 298 -1 .533 1 .00 0. 00 c ATOMO 231 C CYS A 18 -5 .338 -7. 196 -2 .850 1 .00 0. 00 c ATOMO 232 O CYS A 18 -5 .273 -6. 178 -3 .538 1 .00 0. 00 o ATOMO 233 CB CYS A 18 -5 .561 -7. 246 -0 .359 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4 .769 -7. 241 1 .282 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3 .917 -5. 322 -1 .187 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4 .045 -8. 236 -1 .505 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6 .152 -6. 346 -0 .438 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6 .216 -8. 101 -0 .406 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .056 -8. 258 -3 .198 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -6 .831 -8.289 -4 .438 1 .00 0. 00 c ATOMO 241 C ASP A 19 -5 .946 -7. 989 -5 .646 1 .00 0. 00 c ATOMO 242 O ASP A 19 -6 .406 -7. 432 -6 .643 1 .00 0. 00 o ATOMO 243 CB ASP A 19 -7 .978 -7. 280 -4 .371 1 .00 0. 00 c ATOMO 244 CG ASP A 19 -9 .087 -7. 725 -3 .439 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -9 .990 -8. 456 -3 .897 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -9 .054 -7. 342 -2 .251 1 .00 0. 00 0 ATOMO 247 H ASP A 19 -6 .067 -9. 039 -2 .608 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7 .242 -9. 281 -4 .546 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7 .596 -6. 332 -4 .020 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8 .393 -7. 150 -5 .360 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4 .672 -8. 358 -5 .545 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3 .716 -8. 127 -6 .623 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3 .512 -6. 633 -6 .858 1 .00 0. 00 c ATOMO 254 0 ASP A 20 -3 .344 -6. 190 -7 .994 1 .00 0. 00 o ATOMO 255 CB ASP A 20 -4 .186 -8. 801 -7 .915 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -3 .031 -9. 187 -8 .819 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -2 .250 -10. 082 -8 .435 1 .00 0. 00 0 ATOMO 258 OD2 ASP A 20 -2 .908 -8. 592 -9 .910 1 .00 0. 00 0 ATOMO 259 H ASP A 20 -4 .365 -8. 794 -4 .722 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2 .774 -8. 560 -6 .324 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -4 .738 -9. 696 -7 .666 1 .00 0. 00 H ATOMO 262 2HB AS A 20 -4 .831 -8. 123 -8 .453 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3 .521 -5. 864 -5 .775 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3 .330 -4. 421 -5 .862 1 .00 .0. 00 c ATOMO 265 C ALA A 21 -1 .854 -4. 076 -6 .012 1 .00 0. 00 c ATOMO 266 0 ALA A 21 -0 .994 -4. 955 -5 .986 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3 .908 -3. 729 -4 .635 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3 .655 -6. 278 -4 .896 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .863 -4. 067 -6 .732 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .932 -4. 422 -3 .809 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 - .912 -3. 392 -4 .850 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3, .293 -2. 878 -4 .375 1 .00 0. 00 H ATOMO 273 N THR A 22 -1, .571 -2. 789 -6 .168 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0 .203 -2. 322 -6 .318 1 .00 0. 00 c ATOMO 275 C THR A 22 0.034 -1.071 -5.478 1.00 0.00 c ATOMO 276 O THR A 22 -0 .819 -0. 185 -5. 413 1.00 0. 00 0 ATOMO 277 CB THR A 22 0 .094 -2. 026 -7. 788 1.00 0. 00 c ATOMO 278 OG1 THR A 22 -0 .137 -3. 172 -B. 588 1.00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .516 -1. 576 -8. 032 1.00 0. 00 c ATOMO 280 H THR A 22 -2 .300 -2. 136 -6. 179 1.00 0. 00 H ATOMO 281 HA THR A 22 0 .457 -3. 104 -5. 976 1.00 0. 00 H ATOMO 282 HB THR A 22 -0 .563 -1. 238 -8. 125 1.00 0. 00 H ATOMO 283 HG1 THR A 22 -o .567 -2. 911 -9. 405 1.00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .511 -0. 572 -8. 429 1.00 0. 00 H ATOMO 285 2HG2 THR A 22 1 .988 -2. 242 -8. 738 1.00 0. 00 H ATOMO 286 3HG2 THR A 22 2 .063 -1. 592 -7. 100 1.00 0. 00 H ATOMO 287 N CYS A 23 1 .198 -1. 005 -4. 841 1.00 0. 00 N ATOMO 288 CA CYS A 23 1 .547 0. 141 -4. 011 1.00 0. 00 c ATOMO 289 C CYS A 23 2 .026 1. 287 -4. 899 1.00 0. 00 c ATOMO 290 O CYS A 23 3 .074 1. 191 -5. 539 1.00 0. 00 o ATOMO 291 CB CYS A 23 2 .633 -0. 256 -3. 006 1.00 0. 00 c ATOMO 292 SG CYS A 23 2 .740 0. 827 -1. 544 1.00 0. 00 s ATOMO 293 H CYS A 23 1 .837 -1. 741 -4. 936 1.00 0. 00 H ATOMO 294 HA CYS A 23 0 .661 0. 452 -3. 478 1.00 0. 00 H ATOMO 295 1HB CYS A 23 2 .439 -1. 258 -2. 655 1.00 0. 00 H ATOMO 296 2HB CYS A 23 3 .593 -0. 235 -3. 500 1.00 0. 00 H ATOMO 297 N THR A 24 1 .241 2. 360 -4. 957 1.00 0. 00 N ATOMO 298 CA THR A 24 1 .570 3. 507 -5. 792 1.00 0. 00 c, ATOMO 299 C THR A 24 1 .730 4. 782 -4. 968 1.00 0. 00 c ATOMO 300 0 THR A 24 1 .178 4. 916 -3. 876 1.00 0. 00 0 ATOMO 301 CB THR A 24 0 .485 3. 704 -6. 859 1.00 0. 00 c ATOMO . 302 OG1 THR A 24 0 .486 2. 625 -7. 777 1.00 0. 00 o ATOMO 303 CG2 THR A 24 0 .636 4. 985 -7. 659 1.00 0. 00 c ATOMO 304 H THR A 24 0 .409 2. 374 -4. 445 1.00 0. 00 H ATOMO 305 HA THR A 24 2 .507 3. 297 -6. 286 1.00 0. 00 H ATOMO 306 HB THR A 24 -0 .480 3. 732 -6. 373 1.00 0. 00 H ATOMO 307 HG1 THR A 24 -0 .418 2. 408 -8. 018 1.00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .574 5. 833 -6. 991 1.00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .151 5. 047 -8. 393 1.00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .595 4. 988 -8. 154 1.00 0. 00 H ATOMO 311 N GLN A 25 2 .479 5. 719 -5. 534 1.00 0. 00 N ATOMO 312 CA GLN A 25 2 .721 7. 008 -4. 910 1.00 0. 00 c ATOMO 313 C GLN A 25 1 .480 7. 891 -5. 020 1.00 0. 00 c ATOMO 314 O GLN A 25 0 .850 7. 970 -6. 075 1.00 0. 00 o ATOMO 315 CB GLN A 25 3 .920 7. 685 -5. 583 1.00 0. 00 c ATOMO 316 CG GLN A 25 4 .166 9. 105 -5. 107 1.00 0. 00 c ATOMO 317 CD GLN A 25 5 .552 9. 608 -5. 458 1.00 0. 00 c ATOMO 318 OE1 GLN A 25 5 .708 10. 501 -6. 291 1.00 0. 0.0 0 ATOMO 319 NE2 GLN A 25 6 .569 9. 037 -4. 823 1.00 0. 00 N ATOMO 320 H GLN A 25 2 .868 5. 543 -6. 411 1.00 0. 00 H ATOMO 321 HA GLN A 25 2 .947 6. 846 -3. 868 1.00 0, 00 H ATOMO 322 1HB GLN A 25 4 .807 7. 103 -5. 382 1.00 0. 00 H ATOMO 323 2HB GLN A 25 3 .750 7. 712 -6. 649 1.00 0. 00 H ATOMO 324 1HG GLN A 25 3 .434 9. 751 -5. 566 1.00 0. 00 H ATOMO 325 2HG GLN A 25 4 .047 9. 133 -4. 035 1.00 0. 00 H ATOMO 326 1HE2 GLN A 25 6 .370 8. 331 -4. 173 1.00 0. 00 H ATOMO 327 2HE2 GLN A 25 7 .476 9. 343 -5. 032 1.00 0. 00 H ATOMO 328 N GLU A 26 1 .139 8. 551 -3. 923 1.00 0. 00 N ATOMO 329 CA GLU A 26 -0 .022 9. 431 -3. 884 1.00 0. 00 c ATOMO 330 C GLU A 26 0 .167 10. 533 -2. 848 1.00 0. 00 c ATOMO 331 0 GLU A 26 1 .208 10. 615 -2. 197 1.00 0. 00 0 ATOMO 332 CB GLU A 26 -1.285 8,.629 -3,.568 1.00 0..00 C ATOMO 333 CG GLU A 26 -1, .510 7, .454 -4, .506 1 .00 0, .00 C ATOMO 334 CD GLU A 26 -2, .818 6, .735 -4, ,237 1 .00 0. ,00 c ATOMO 335 0E1 GLU A 26 -3 .772 7, .393 -3, .773 1 .00 0. .00 0 ATOMO 336 OE2 GLU A 26 -2 .886 5, .514 -4, ,491 1 .00 0. .00 0 ATOMO 337 H GLU A 26 1 .684 8, .443 -3, .117 1 .00 0. ,00 H ATOMO 338 HA GLU A 26 -0 .129 9, .884 -4, ,858 1 .00 0, ,00 H ATOMO 339 1HB GLU A 26 -1, .215 8, .249 -2, .560 1 .00 0. ,00 H ATOMO 340 2HB GLU A 26 -2 .141 9, .284 -3, .636 1 .00 0. ,00 H ATOMO 341 1HG GLU A 26 -1 .520 7, .819 -5 .522 1 .00 0. ,00 H ATOMO 342 2HG GLU A 26 -0 .698 6, .753 -4, .384 1 .00 0. ,00 H ATOMO 343 N ARG A 27 -0, .846 11, .380 -2, .703 1 .00 0. ,00 N ATOMO 344 CA ARG A 27 -0 .792 12, ,481 -1, .747 1 .00 0. ,00 c ATOMO 345 C ARG A 27 -1, .714 12, .217 -0, .560 1 .00 0. .00 c ATOMO 346 0 ARG A 27 -2 .765 11. .591 -0, ,704 1 .00 0. ,00 0 ATOMO 347 CB ARG A 27 -1, .1B3 13. ,792 -2. .431 1 .00 0. ,00 c ATOMO 348 CG ARG A 27 -0 .143 14, .295 -3. .418 1 .00 0, .00 c ATOMO 349 CD ARG A 27 -0, .099 15, .815 -3. .458 1 .00 0. ,00 c ATOMO 350 NE ARG A 27 0. .133 16. .321 -4. .810 1 .00 0. ,00 N ATOMO 351 CZ ARG A 27 -0, .749 16. .227 -5. .806 1 .00 0. .00 c ATOMO 352 NH1 ARG A 27 -1. .930 15. , 647 -5, .613 1 .00 0. ,00 N ATOMO 353 NH2 ARG A 27 -0, .449 16. .716 -7. .002 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1. .648 11. .263 -3. .252 1 .00 0. ,00 H ATOMO 355 HA ARG A 27 0, .222 12. .560 -1. .388 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -2. .112 13. ,645 -2. .963 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1, .327 14. ,549 -1. .675 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0. .828 13. .925 -3. .123 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0. .387 13. 925 -4. ,403 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -1. ,043 16. 198 -3. .098 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 0. .696 16. ,156 -2. ,814 1 .00 0. 00 H ATOMO 362 HE ARG A 27 0. ,993 16. 755 -4. 987 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 -2. ,165 15. 275 -4. 716 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 -2. ,583 15. 583 -6. 367 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 0. 437 17. 155 -7. 154 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 -1. 109 16. 647 -7. 749 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1. ,314 12. 697 0. 613 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2. 103 12. 512 1. 825 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2. 741 13. 827 2. 268 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2. 650 14. 838 1. 573 1 .00 0. 00 o ATOMO 371 CB ASN A 28 -1. 229 11. 950 2. 949 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0. 121 12. 900 3. 359 1, .00 0. 00 c ATOMO 373 OD1 ASN A 28 0. 103 13. 925 2. 715 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 580 12. 564 4. 436 1, .00 0. 00 N ATOMO 375 H ASN A 28 -0. 466 13. 187 0. 665 1, .00 0. 00 H ATOMO 376 HA ASN A 28 -2. 888 11. 804 1. 605 1, .00 0. 00 H ATOMO 377 1HB ASN A 28 -1. 844 11. 752 3. 813 1. ,00 0. 00 H ATOMO 378 2HB ASN A 28 -0. 779 11. 028 2. 615 1. ,00 0. 00 H ATOMO 379 1HD2 ASN A 28 0. 345 11. 733 4. 899 1. .00 0. 00 H ATOMO 380 2HD2 AS A 28 1. 303 13. 160 4. 723 1. .00 0. 00 H ATOMO 381 N GLU A 29 -3. 385 13. 802 3. 431 1. .00 0. 00 N ATOMO 382 CA GLU A 29 -4. 036 14. 990 3. 969 1. ,00 0. 00 c ATOMO 383 C GLU A 29 -3. 006 16. 044 4. 361 1. .00 0. 00 c ATOMO 384 O GLU A 29 -3. 272 17. 244 4. 290 1, .00 0. 00 0 ATOMO 385 CB GLU A 29 -4. 892 14. 622 5. 182 1. ,00 0. 00 c ATOMO 386 CG GLU A 29 -6. 272 14. 101 4. 817 1. ,00 0. 00 c ATOMO 387 CD GLU A 29 -7. 119 13. 793 6. 035 1. .00 0. 00 c ATOMO 388 OE1 GLU A 29 -6. 978 12. 684 6. 592 1. .00 0. 00 o ATOMO 389 0E2 GLD A 29 -7.925 14..661 6..432 1.00 0..00 0 ATOMO 390 H GLU A 29 -3 .422 12. .966 3. ,939 1 .00 0. ,00 H ATOMO 391 HA GIiU A 29 -4 .674 15. ,396 3. ,199 1 .00 0. ,00 H ATOMO 392 1HB GLU A 29 -4 .381 13. .856 5. .749 1 .00 0. ,00 H ATOMO 393 2HB GLU A 29 -5 .013 15. .496 5. .801 1 .00 0. ,00 H ATOMO 394 1HG GLU A 29 -6 .779 14. .848 4. .224 1 .00 0. ,00 H ATOMO 395 2HG GLU A 29 -6 .161 13. .197 4. ,235 1 .00 0. ,00 H ATOMO 396 N ASN A 30 -1 .826 15. .589 4. ,774 1 .00 0. ,00 N ATOMO 397 CA ASN A 30 -0 .756 16, .494 5. ,176 1 .00 0. ,00 C ATOMO 398 C ASN A 30 -0 .136 17. .180 3. ,963 1 .00 0. ,00 C ATOMO 399 O ASN A 30 0.353 18, .306 4. .058 1 .00 0. ,00 0 ATOMO 400 CB ASN A 30 0 .320 15. .733 5. ,952 1 .00 0. .00 C ATOMO 401 CG ASN A 30 -0 .237 15. ,024 7. ,171 1 .00 0. ,00 c ATOMO 402 ODl ASN A 30 -1 .343 15. ,320 7. .624 1 .00 0. ,00 0 ATOMO 403 ND2 ASN A 30 0 .529 14. ,083 7. ,710 1 .00 0. ,00 N ATOMO 404 H ASN A 30 -1 .672 14. .621 4. .809 1 .00 0. .00 H ATOMO 405 HA ASN A 30 -1 .186 17, ,247 5. ,820 1 .00 0. ,00 H ATOMO 406 1HB ASN A 30 0 .768 14. ,995 5. ,304 1 .00 0. ,00 H ATOMO 407 2HB ASN A 30 1 .080 16. .428 6. ,278 1 .00 0. ,00 H ATOMO 408 1HD2 ASN A 30 1 .399 13. ,901 7. 296 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 0 .194 13. .608 8. ,499 1 .00 0. ,00 H ATOMO 410 N GLY A 31 -0 .163 16. .499 2. 821 1 .00 0. 00 N ATOMO 411 CA GLY A 31 0 .398 17. ,067 1. 607 1 .00 0. 00 c ATOMO 412 C GLY A 31 1 .744 16. ,469 1. 226 1 .00 0. 00 c ATOMO 413 0 GLY A 31 2 .382 16. ,932 0. 280 1 .00 0. 00 o ATOMO 414 H GLY A 31 -0 .567 15. .604 2. .800 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0 .295 16. ,903 0. 795 1 .00 0. 00 H ATOMO 416 2HA GLY A 31 0 .520 18. ,132 1. 748 1 .00 0. 00 H ATOMO 417 N HIS A 32 2 .181 15. ,439 1. 950 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3 .455 14. ,793 1. 662 1 .00 0. 00 c ATOMO 419 C HIS A 32 3 .244 13. ,550 0. 802 1 .00 0. 00 c ATOMO 420 O HIS A 32 2 .155 12. ,974 0. 786 1 .00 0. 00 0 ATOMO 421 CB HIS A 32 4 .168 14. 424 2. 969 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5 .442 15. ,180 3. 186 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 5 .640 16. 032 4. 252 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .589 15. 209 2. 466 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 6 .852 16. 553 4. 179 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .448 16. 069 3. 105 1 .00 0. 00 N ATOMO 427 H HIS A 32 1 .636 15. 103 2. 690 1 .00 0. 00 H ATOMO 428 HA HIS A 32 4 .066 15. 495 1. 115 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3. .512 14. 637 3. 799 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 4, .403 13. 369 2. 964 1 .00 0. 00 H ATOMO 431 HDl HIS A 32 4, .988 16. 226 4. 958 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6, .790 14. 658 1. 558 1 .00 0. 00 H ATOMO 433 HEl HIS A 32 7, .282 17. 253 4. 879 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 8. .384 16. 223 2. 861 1 .00 0. 00 H ATOMO 435 N THR A 33 4. .286 13. 142 0. 087 1 .00 0. 00 N ATOMO 436 CA THR A 33 4. .202 11. 969 -0. 774 1 .00 0. 00 c ATOMO 437 C THR A 33 4, .047 10. 698 0. 053 1 .00 0. 00 c ATOMO 438 O THR A 33 4. .826 10. 443 0. 973 1 .00 0. 00 0 ATOMO 439 CB THR A 33 5. .443 11. 861 -1. 663 1 .00 0. 00 c ATOMO 440 OGl THR A 33 5. .611 13. 037 -2. 434 1 .00 0. 00 o ATOMO 441 CG2 THR A 33 5. .391 10. 687 -2. 620 1, .00 0. 00 c ATOMO 442 H THR A 33 5. .128 13. 641 0. 137 1 .00 .0. 00 H ATOMO 443 HA THR A 33 3. .331 12. 082 -1. 401 1, .00 0. 00 H ATOMO 444 HB THR A 33 6. ,314 11. 739 -1. 036 1, .00 0. 00 H ATOMO 445 HGl THR A 33 5. .617 13. 803 -1. 854 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6.390 10.445 -2.,949 1.00 0.00 H ATOMO 447 2HG2 THR A 33 4 .783 10 .945 -3. ,475 1 .00 0.00 H ATOMO 448 3HG2 THR A 33 4 .960 9 .832 -2. ,118 1 .00 0.00 H ATOMO 449 N VAL A 34 3 .040 9 .905 -0. ,285 1 .00 0.00 N ATOMO 450 CA VAL A 34 2 .777 8 .657 0. ,416 1 .00 0.00 c ATOMO 451 C VAL A 34 2 .539 7 .525 -0. ,573 1 .00 0.00 c ATOMO 452 O VAL A 3 2 .472 7 .747 -1. ,780 1 .00 0.00 0 ATOMO 453 CB VAL A 34 1 .554 8 .780 1. ,347 1 .00 0.00 c ATOMO 454 CG1 VAL A 34 1 .827 9 .779 2. ,460 1.00 0.00 c ATOMO 455 CG2 VAL A 34 0 .317 9 .178 0. ,556 1 .00 0.00 c ATOMO 456 H VAL A 34 2 .458 10 .166 -1. ,030 1 .00 0.00 H ATOMO 457 HA VAL A 34 3 .642 8 .420 1. ,018 1 .00 0.00 H ATOMO 458 HB VAL A 34 1 .372 7 .815 1, ,797 1 .00 0.00 H ATOMO 459 1HG1 VAL A 34 2 .886 9 .804 2. ,671 1 .00 0.00 H ATOMO 460 2HG1 VAL A 34 1 .290 9 .484 3. .349 1 .00 0.00 H ATOMO 461 3HG1 VAL A 34 1 .499 10 .760 2. ,151 1 .00 0.00 H ATOMO 462 1HG2 VAL A 34 0 .573 9 .961 -0, ,1 3 1 .00 0.00 H ATOMO 463 2HG2 VAL A 34 -0 .444 9 .536 1. .235 1 .00 0.00 H ATOMO 464 3HG2 VAL A 34 -0 .057 8 .321 0. .016 1 .00 0.00 H ATOMO 465 N TYR A 35 2 .415 6 .312 -0. ,056 1 .00 0.00 N ATOMO 466 CA TYR A 35 2 .181 5 .145 -0. ,899 1 .00 0.00 c ATOMO 467 C TYR A 35 0 .862 4 .474 -0. ,532 1 .00 0.00 c ATOMO 468 O TYR A 35 0 .617 4 .166 0. ,634 1 .00 0.00 0 ATOMO 469 CB TYR A 35 3 .333 4 .148 -0. ,762 1 .00 0.00 c ATOMO 470 CG TYR A 35 4 .702 4 .792 -0. ,801 1 .00 0.00 c ATOMO 471 CD1 TYR A 35 5 .543 4 .613 -1. 892 1 .00 0.00 c ATOMO 472 CD2 TYR A 35 5 .152 5 .577 0. 253 1 .00 0.00 c ATOMO 473 CE1 TYR A 35 6 .795 5 .199 -1. ,931 1 .00 0.00 c ATOMO 474 CE2 TYR A 35 6 .402 6 .167 0. 220 1 .00 0.00 c ATOMO 475 CZ TYR A 35 7 .218 5 .974 -0. 873 1 .00 0.00 c ATOMO 476 OH TYR A 35 8 .464 6 .558 -0. 909 1 .00 0.00 0 ATOMO 477 H TYR A 35 2 .479 6 .198 0. 915 1 .00 0.00 H ATOMO 478 HA TYR A 35 2 .127 5 .479 -1. 924 1 .00 0.00 H ATOMO 479 1HB TYR A 35 3 .240 3 .625 0. 178 1 .00 0.00 H ATOMO 480 2HB TYR A 35 3 .280 3 .437 -1. 571 1 .00 0.00 H ATOMO 481 HD1 TYR A 35 5 .208 4 .006 -2. 719 1 .00 0.00 H ATOMO 482 HD2 TYR A 35 4 .509 5 .726 1. 109 1 .00 0.00 H ATOMO 483 HE1 TYR A 35 7 .434 5 .047 -2. 788 1 .00 0.00 H ATOMO 484 HE2 TYR A 35 6 .734 6 .774 1. 050 1 .00 0.00 H ATOMO 485 HH TYR A 35 8 .512 7 .165 -1. 653 1 .00 0.00 H ATOMO 486 N TYR A 36 0 .009 4 .259 -1. 531 1 .00 0.00 N ATOMO 487 CA TYR A 36 -1 .289 3 .632 -1. 303 1, .00 0.00 c ATOMO 488 C TYR A 36 -1 .477 2 .402 -2. 184 1 .00 0.00 c ATOMO 489 O TYR A 36 -0 .722 2 .180 -3. 132 1 .00 0.00 0 ATOMO 490 CB TYR A 36 -2 .414 4 .638 -1. 559 1, .00 0.00 c ATOMO 491 CG TYR A 36 -2 .857 5 .380 -0. 318 1, .00 0.00 c ATOMO 492 CD1 TYR A 36 -1 .970 6 .185 0. 387 1, .00 0.00 c ATOMO 493 CD2 TYR A 36 -4 .161 5 .275 0. 149 1 .00 0.00 c ATOMO 494 CE1 TYR A 36 -2 .370 6 .864 1. 521 1, .00 0.00 c ATOMO 495 CE2 TYR A 36 -4 .569 5 .951 1. 284 1, .00 0.00 c ATOMO 496 CZ TYR A 36 -3 .670 6 .744 1. 965 1, .00 0.00 c ATOMO 497 OH TYR A 36 -4 .073 7 .418 3. 095 1, .00 0.00 0 ATOMO 498 H TYR A 36 0 .256 4, .533 -2. 439 1. .00 0.00 H ATOMO 499 HA TYR A 36 -1 .328 3 .323 -0. 270 1. .00 0.00 H ATOMO 500 1HB TYR A 36 -2, .077 5, .368 -2. 279 1, ,00 0.00 H ATOMO 501 2HB TYR A 36 -3 .271 4 .116 -1. 958 1. .00 0.00 H ATOMO 502 HD1 TYR A 36 -0 .953 6 .278 0. 036 1, .00 0.00 H ATOMO 503 HD2 TYR A 36 -4.862 4.653 -0,.387 1.00 0.00 H ATOMO 504 HE1 TYR A 36 -1 .667 7 .485 2 .055 1.00 0.00 H ATOMO 505 HE2 TYR A 36 -5 .587 5 .856 1. .631 1.00 0.00 H ATOMO 506 HH TYR A 36 -3 .969 6 .849 3, .861 1.00 0.00 H ATOMO 507 N CYS A 37 -2 .486 1 .603 -1, .857 1.00 0.00 N ATOMO 508 CA CYS A 37 -2 .781 0 .383 -2 .607 1.00 0.00 C ATOMO 509 C CYS A 37 -3 .941 0 .602 -3, .571 1.00 0.00 c ATOMO 510 0 CYS A 37 -4 .971 1 .168 -3, .204 1.00 0.00 0 ATOMO 511 CB CYS A 37 -3 .114 -0 .761 -1, .646 1.00 0.00 c ATOMO 512 SG CYS A 37 -1 .651 -1 .525 -0, .877 1.00 0.00 S ATOMO 513 H CYS A 37 -3 .041 1 .834 -1, .083 1.00 0.00 H ATOMO 514 HA CYS A 37 -1 .903 0 .117 -3 .176 1.00 0.00 H ATOMO 515 1HB CYS A 37 -3 .748 -0 .388 -0, .855 1.00 0.00 H ATOMO 516 2HB CYS A 37 -3 .642 -1 .534 -2 .182 1.00 0.00 H ATOMO 517 N ARG A 38 -3 .760 0 .151 -4, .809 1.00 0.00 N ATOMO 518 CA ARG A 38 -4 .783 0 .298 -5, .835 1.00 0.00 c ATOMO 519 C ARG A 38 -5 .044 -1 .030 -6, .531 1.00 0.00 c ATOMO 520 O ARG A 38 -4 .120 -1 .684 -7, .015 1.00 0.00 0 ATOMO 521 CB ARG A 3? -4 .358 1 .348 -6, .861 1.00 0.00 c ATOMO 522 CG ARG A 38 -4 .075 2 .711 -6, .252 1.00 0.00 c ATOMO 523 CD ARG A 38 -5 .349 3 .371 -5, .750 1.00 0.00 c ATOMO 524 NE ARG A 38 -5 .279 4 .828 -5, .837 1.00 0.00 N ATOMO 525 CZ ARG A 38 -6 .219 5 .650 -5, .369 1.00 0.00 c ATOMO 526 NH1 ARG A 38 -7 .309 5 .168 -4, .780 1.00 0.00 N ATOMO 527 NH2 ARG A 38 -6 .067 6 .962 -5. .490 1.00 0.00 N ATOMO 528 H . ARG A 38 -2 .916 -0 .288 -5. .039 1.00 0.00 H ATOMO 529 HA ARG A 38 -5 .693 0 .623 -5. .352 1.00 0.00 H ATOMO 530 1HB ARG A 38 -3 .462 1 .009 -7. .359 1.00 0.00 H ATOMO 531 2HB ARG A 38 -5 .146 1 .461 -7. .592 1.00 0.00 H ATOMO 532 1HG ARG A 38 -3 .394 2 .591 -5. .425 1.00 0.00 H ATOMO 533 2HG ARG A 38 -3 .625 3 .344 -7. ,004 1.00 0.00 H ATOMO 534 1HD ARG A 38 -6 .179 3 .022 -6. .348 1.00 0.00 H ATOMO 535 2HD ARG A 38 -5 .504 3 .086 -4. ,720 1.00 0.00 H ATOMO 536 HE ARG A 38 -4 .487 5 .217 -6. 265 1.00 0.00 H ATOMO 537 1HH1 ARG A 38 -7 .433 4 .181 -4. ,683 1.00 0.00 H ATOMO 538 2HH1 ARG A 38 -8 .007 5 .795 -4. ,433 1.00 0.00 H ATOMO 539 1HH2 ARG A 38 -5 .250 7 .332 -5. 931 1.00 0.00 H ATOMO 540 2HH2 ARG A 38 -6 .771 7 .581 -5. 141 1.00 0.00 H ATOMO 541 N ALA A 39 -6 .308 -1 .422 -6. 576 1.00 0.00 N ATOMO 542 CA ALA A 39 -6 .698 -2 .674 -7. 214 1.00 0.00 c ATOMO 543 C ALA A 39 -6 .514 -2 .598 -8. 725 1.00 0.00 c ATOMO 544 O ALA A 39 -7 .093 -1 .680 -9. 345 1.00 0.00 0 ATOMO 545 CB ALA A 39 -8 .139 -3 .017 -6. 871 1.00 0.00 c ATOMO 546 OXT ALA A 39 -5 .793 -3 .455 -9. 277 1.00 0.00 0 ATOMO 547 H ALA A 39 -6 .997 -0 .856 -6. 173 1.00 0.00 H ATOMO 548 HA ALA A 39 -6 .063 -3 .456 -6. 823 1.00 0.00 H ATOMO 549 1HB ALA A 39 -8 .169 -3 .545 -5. 929 1.00 0.00 H ATOMO 550 2HB ALA A 39 -8, .555 -3. .640 -7. 648 1.00 0.00 H ATOMO 551 3HB ALA A 39 -8 .716 -2 .107 -6. 791 1.00 0.00 H TER 552 ALA A 39 ENDMDL ODELO 10 ATOMO 1 N GLY A 1 0. .717 -15, .233 4. 733 1.00 0.00 N ATOMO 2 CA GLY A 1 -0. .667 -14. .942 4. 265 1.00 0.00 c ATOMO 3 C GLY A 1 -1, .173 -13, .600 4. 752 1.00 0.00 c ATOMO 4 O GLY A 1 -2, .134 -13, .532 5. 518 1.00 0.00 0 ATOMO 5 1H GLY A 1 1. .292 -14, .367 4. 707 1.00 0.00 H ATOMO 6 2H GLY A 1 1.159 -15.948 4.120 1.00 0.00 H ATOMO 7 3H GLY A 1 0 .696 -15 .595 5 .708 1.00 0.00 H ATOMO 8 1HA GLY A 1 -0 .679 -14 .950 3 .186 1.00 0.00 H ATOMO 9 2HA GLY A 1 -1 .327 -15 .717 4 .627 1.00 0.00 H ATOMO 10 N SER A 2 -0 .526 -12 .528 4 .307 1.00 0.00 N ATOMO 11 CA SER A 2 -0 .917 -11 .180 4 .701 1.00 0.00 c ATOMO 12 C SER A 2 -0 .655 -10 .186 3 .575 1.00 0.00 c ATOMO 13 0 SER A 2 0 .321 -10 .313 2 .835 1.00 0.00 0 ATOMO 14 CB SER A 2 -0 .158 -10 .755 5 .960 1.00 0.00 c ATOMO 15 OG SER A 2 0 .262 -11 .882 6 .709 1.00 0.00 o ATOMO 16 H SER A 2 0 .233 -12 .647 3 .697 1.00 0.00 H ATOMO 17 HA SER A 2 -1 .974 -11 .191 4 .918 1.00 0.00 H ATOMO 18 1HB SER A 2 0 .715 -10 .184 5 .676 1.00 0.00 H ATOMO 19 2HB SER A 2 -0 .801 -10 .146 6 .578 1.00 0.00 H ATOMO 20 HG SER A 2 -0 .062 -11 .807 7 .610 1.00 0.00 H ATOMO 21 N CYS A 3 -1 .532 -9 .196 3 .453 1.00 0.00 N ATOMO 22 CA CYS A 3 -1 .398 -8 .178 2 .419 1.00 0.00 c ATOMO 23 C CYS A 3 -2 .039 -6 .870 2 .866 1.00 0.00 c ATOMO 24 O CYS A 3 -2 .762 -6 .828 3 .861 1.00 0.00 o ATOMO 25 CB CYS A 3 -2 .038 -8 .653 1 .111 1.00 0.00 c ATOMO 26 SG CYS A 3 -3 .809 -9 .062 1 .247 1.00 0.00 S ATOMO 27 H CYS A 3 -2 .287 -9 .145 4 .073 1.00 0.00 H ATOMO 28 HA CYS A 3 -0 .343 -8 .011 2 .254 1.00 0.00 H ATOMO 29 1HB CYS A 3 -1 .939 -7 .876 0 .369 1.00 0.00 H ATOMO 30 2HB CYS A 3 -1 .521 -9 .537 0 .769 1.00 0.00 H ATOMO 31 N VAL A 4 -1 .771 -5 .805 2 .122 1.00 0.00 N ATOMO 32 CA VAL A 4 -2 .318 -4 . 96 2 .430 1.00 0.00 c ATOMO 33 C VAL A 4 -3 .669 -4 .302 1 .735 1.00 0.00 c ATOMO 34 O VAL A 4 -3 .789 -4 .555 0 .541 1.00 0.00 0 ATOMO 35 CB VAL A 4 -1 .344 -3 .392 1 .982 1.00 0.00 c ATOMO 36 CG1 VAL A 4 -1 .915 -2 .008 2 .253 1.00 0.00 c ATOMO 37 CG2 VAL A 4 -0 .003 -3 .571 2 .674 1.00 0.00 c ATOMO 38 H VAL A 4 -1 .190 -5 .901 1 .341 1.00 0.00 H ATOMO 39 HA VAL A 4 -2 .444 -4 .429 3 .497 1.00 0.00 H ATOMO 40 HB VAL A 4 -1 .189 -3 .492 0 .919 1.00 0.00 H ATOMO 41 1HG1 VAL A 4 -1. .133 -1 .273 2 .159 1.00 0.00 H ATOMO 42 2HG1 VAL A 4 -2 .323 -1 .978 3 .252 1.00 0.00 H ATOMO 43 3HG1 VAL A 4 -2 .697 -1 .798 1 .538 1.00 0.00 H ATOMO 44 1HG2 VAL A 4 0. .435 -4 .510 2 .368 1.00 0.00 H ATOMO 45 2HG2 VAL A 4 -0, .149 -3 .573 3 .744 1.00 0.00 H ATOMO 46 3HG2 VAL A 4 0, .654 -2 .760 2 ¦ 399 1.00 0.00 H ATOMO 47 N PRO A 5 -4, .709 -3 .839 2 .455 1.00 0.00 N ATOMO 48 CA PRO A 5 -6, .026 -3 .624 1 .854 1.00 0.00 c ATOMO 49 C PRO A 5 -6. .002 -2 .497 0 .828 1.00 0.00 c ATOMO 50 O PRO A 5 -5, .405 -1 .438 1 .056 1.00 0.00 o ATOMO 51 CB PRO A 5 ' -6. .927 -3, .252 3 .041 1.00 0.00 c ATOMO 52 CG PRO A 5 -6. .143 -3, .587 4, .267 1.00 0.00 c ATOMO 53 CD PRO A 5 -4. .696 -3, .483 3 .883 1.00 0.00 c ATOMO 54 HA PRO A 5 -6. .395 -4. .528 1. .385 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7, .162 -2, .199 3. .001 1.00 0.00 H ATOMO 56 2HB PRO A 5 -7. .840 -3. .827 2. .992 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6. .373 -2, .883 5. .053 1.00 0.00 H ATOMO 58 2HG PRO A 5 -6. .373 -4, .594 4. .585 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4. .338 -2. .473 4. .026 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4. .103 -4. .181 4. .452 1.00 0.00 H ATOMO 61 N VAL A 6 -6. .664 -2. .715 -0. .305 1.00 0.00 N ATOMO 62 CA VAL A 6 -6. ,720 -1. .713 -1. .351 1.00 0.00 c ATOMO 63 C VAL A 6 -7.326 -0.432 -0.809 1,.00 0.00 c ATOMO 64 0 VAL A 6 -8 .130 -0.460 0 .121 1. .00 0.00 0 ATOMO 65 CB VAL A 6 -7 .518 -2.217 -2 .568 1, .00 0.00 c ATOMO 66 CG1 VAL A 6 -7 .615 -1.149 -3 .647 1, .00 0.00 c ATOMO 67 CG2 VAL A 6 -6 .869 -3.474 -3 .119 1. .00 0.00 c ATOMO 68 H VAL A 6 -7 .132 -3.561 -0 .433 1. .00 0.00 H ATOMO 69 HA VAL A 6 -5 .707 -1.511 -1 .669 1. ,00 0.00 H ATOMO 70 HB VAL A 6 -8 .517 -2.465 -2 .244 1, .00 0.00 H ATOMO 71 1HG1 VAL A 6 -8 .017 -0.244 -3 .217 1. .00 0.00 H ATOMO 72 2HG1 VAL A 6 -8 .265 -1.495 -4 .435 1. .00 0.00 H ATOMO 73 3HG1 VAL A 6 -6 .632 -0.954 -4 .046 1. .00 0.00 H ATOMO 74 1HG2 VAL A 6 -5 .814 -3.464 -2 .882 1. .00 0.00 H ATOMO 75 2HG2 VAL A 6 -6 .995 -3.502 -4 .190 1. .00 0.00 H ATOMO 76 3HG2 VAL A 6 -7 .330 -4.342 -2 .676 1. .00 0.00 H ATOMO 77 N ASP A 7 -6 .896 0.689 -1 .371 1, .00 0.00 N ATOMO 78 CA ASP A 7 -7 .347 1.996 -0 .935 1. .00 0.00 c ATOMO 79 C ASP A 7 -6 .724 2.362 0 .414 1, .00 0.00 c ATOMO 80 O ASP A 7 -7 .064 3.392 0 .995 1. ,00 0.00 0 ATOMO 81 CB ASP A 7 -8 .873 2.053 -0 .853 1, .00 0.00 c ATOMO 82 CG ASP A 7 -9 .540 1.546 -2 .117 1, ,00 0.00 c ATOMO 83 ODl ASP A 7 -9 .463 2.243 -3 .149 1. ,00 0.00 o ATOMO 84 OD2 ASP A 7 -10 .139 0.450 -2 .072 1. .00 0.00 0 ATOMO 85 H ASP A 7 -6 .235 0.638 -2 .078 1. .00 0.00 H ATOMO 86 HA ASP A 7 -7 .013 2.713 -1 .670 1. .00 0.00 H ATOMO 87 1HB ASP A 7 -9 .206 1.448 -0 .024 1. .00 0.00 H ATOMO 88 2HB ASP A 7 -9 .173 3.073 -0 .696 1. .00 0.00 H ATOMO 89 N GLN A 8 -5 .793 1.528 0 .913 1. ,00 0.00 N ATOMO 90 CA GLN A 8 -5 .137 1.805 2 .179 1. .00 0.00 c ATOMO 91 C GLN A 8 -3 .643 2.031 1 .964 1. 00 0.00 c ATOMO 92 0 GLN A 8 -3 .076 1.556 0 .980 1. ,00 0.00 o ATOMO 93 CB GLN A 8 -5 .359 0.663 3 .169 1. ,00 0.00 c ATOMO 94 CG GLN A 8 -6 .815 0.250 3 .304 1. 00 0.00 c ATOMO 95 CD GL A 8 -7 .714 1.406 3 .697 1. 00 0.00 c ATOMO 96 OE1 GLN A 8 -8, .736 1.658 3 .058 1. 00 0.00 o ATOMO 97 NE2 GLN A 8 -7, .337 2.117 4, .752 1. 00 0.00 N ATOMO 98 H GLN A 8 -5, .536 0.719 0 .418 1. 00 0.00 H ATOMO 99 HA GLN A 8 -5. .569 2.707 2 .578 1. 00 0.00 H ATOMO 100 1HB GLN A 8 -4. .792 -0.196 2, .843 1. 00 0.00 H ATOMO 101 2HB GLN A 8 -5. .004 0.970 4, .141 1. 00 0.00 H ATOMO 102 1HG GLN A 8 -7. .154 -0.143 2. .358 1. 00 0.00 H ATOMO 103 2HG GLN A 8 -6, .890 -0.517 4 , .060 1. 00 0.00 H ATOMO 104 1HE2 GLN A 8 -6, .511 1.859 5, .213 1. 00 0.00 H ATOMO 105 2HE2 GLN A 8 -7, .899 2.871 5. .029 1. 00 0.00 H ATOMO 106 N PRO A 9 -2. .981 2.772 2. .871 1. 00 0.00 N ATOMO 107 CA PRO A 9 -1. .551 3.059 2. .746 1. 00 0.00 c ATOMO 108 C PRO A 9 -0. .676 1.822 2. .871 1. 00 0.00 c ATOMO 109 0 PRO A 9 -0. .935 0.934 3. .684 1. 00 0.00 0 ATOMO 110 CB PRO A 9 -1. ,263 4.027 3. ,892 1. 00 0.00 c ATOMO 111 CG PRO A 9 -2. ,371 3.822 4. .869 1. 00 0.00 c ATOMO 112 CD PRO A 9 -3. .569 3.398 4. .070 1. 00 0.00 c ATOMO 113 HA PRO A 9 -1. ,336 3.546 1. ,807 1. 00 0.00 H ATOMO 114 1HB PRO A 9 -0. ,302 3.795 4. ,329 1. 00 0.00 H ATOMO 115 2HB PRO A 9 -1. 252 5.034 3. 509 1. 00 0.00 H ATOMO 116 1HG PRO A 9 -2. 099 3.048 5. 572 1. 00 0.00 H ATOMO 117 2HG PRO A 9 -2. 577 4.743 5. 389 1. 00 0.00 H ATOMO 118 1HD PRO A 9 -4. 158 2.687 4. 628 1. 00 0.00 H ATOMO 119 2HD PRO A 9 -4. 168 4.256 3. 801 1. 00 0.00 H ATOMO 120 N CYS A 10 0.371 1.788 2.060 1.00 0.00 N ATOMO 121 CA CYS A 10 1 .318 0 .683 2 .062 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .745 1 .204 2 .181 1 .00 0 .00 c ATOMO 123 0 CYS A 10 2 .971 2 .408 2 .293 1 .00 0 .00 0 ATOMO 124 CB CYS A 10 1 .174 -0 .151 0 .787 1 .00 0 .00 c ATOMO 125 SG CYS A 10 1 .012 0 .834 -0 .738 1 .00 0 .00 s ATOMO 126 H CYS A 10 0 .513 2 .537 1 .446 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1 .101 0 .060 2 .917 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 2 .043 -0 .782 0 .677 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .298 -0 .772 0 .873 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .701 0 .288 2 .151 1 .00 0 .00 N ATOMO 131 CA SER A 11 5 .110 0 .648 2 .252 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .955 -0 .199 1 .304 1 .00 0 .00 c ATOMO 133 O SER A 11 5 .534 -1 .272 0 .873 1 .00 0 .00 0 ATOMO 134 CB SER A 11 5 .604 0 .471 3 .689 1 .00 0 .00 c ATOMO 135 OG SER A 11 6 .525 1 .489 4 .042 1 .00 0 .00 o ATOMO 136 H SER A 11 3 .454 -0 .653 2 .058 1 .00 0 .00 H ATOMO 137 HA SER A 11 5 .208 1 .686 1 .972 1 .00 0 .00 H ATOMO 138 1HB SER A 11 4 .762 0 .516 4 .364 1 .00 0 .00 H ATOMO 139 2HB SER A 11 6 .091 -0 .488 3 .785 1 .00 0 .00 H ATOMO 140 HG SER A 11 7 .177 1 .585 3 .344 1 .00 0 .00 H ATOMO 141 N LEU A 12 7 .147 0 .291 0 .985 1 .00 0 .00 N ATOMO 142 CA LEU A 12 8 .050 -0 .425 0 .086 1 .00 0 .00 c ATOMO 143 C LEU A 12 8 .761 -1 .577 0 .799 1 .00 0 .00 c ATOMO 144 O LEU A 12 9. .328 -2, .457 0 .150 1 .00 0 .00 o ATOMO 145 CB LEU A 12 9 .082 0, .533 -0 .522 1 .00 0 .00 c ATOMO 146 CG LEU A 12 9, .696 1, .554 0 .440 1 .00 0 .00 c ATOMO 147 CD1 LEU A 12 10, .258 0. .865 1 .674 .1 .00 0 .00 c ATOMO 148 CD2 LEU A 12 10, .779 2 .353 -0 .263 1 .00 0 .00 c ATOMO 149 H LEU A 12 7, .426 1, .150 1 .360 1 .00 0 .00 H ATOMO 150 HA LEU A 12 7, .452 -0, .836 -0 .712 1 .00 0 .00 H ATOMO 151 1HB LEU A 12 9, .884 -0, .060 -0 .940 1 .00 0 .00 H ATOMO 152 2HB LEU A 12 8, .606 1. .073 -1 .327 1 .00 0, .00 H ATOMO 153 HG LEU A 12 8, .930 2, .244 0 .761 1 .00 0 .00 H ATOMO 154 1HD1 LEU A 12 11, .031 1, .482 2 .108 1, .00 0, .00 H ATOMO 155 2HD1 LEU A 12 10, .675 -0. .091 1, .395 1, .00 0, .00 H ATOMO 156 3HD1 LEU A 12 9. .468 0. .719 2 .395 1 .00 0, .00 H ATOMO 157 1HD2 LEU A 12 11, .267 1. .729 -0, .996 1, .00 0, .00 H ATOMO 158 2HD2 LEU A 12 11. .504 2. ,692 0, .462 1, .00 0. .00 H ATOMO 159 3HD2 LEU A 12 10. .335 3. .206 -0, .755 1. .00 0. .00 H ATOMO 160 N ASN A 13 8. .735 -1. ,575 2, .133 1. .00 0. .00 N ATOMO 161 CA ASN A 13 9. ,382 -2. 625 2, .910 1. .00 0. .00 c ATOMO 162 C ASN A 13 8. ,360 -3. 532 3, .603 1. .00 0, .00 c ATOMO 163 O ASN A 13 8. .728 -4. 348 4, .449 1. .00 0. ,00 o ATOMO 164 CB ASN A 13 10. ,315 -2. ,008 3. .952 1, ,00 0. .00 c ATOMO 165 CG ASN A 13 9. ,585 -1. 082 4. .904 1. .00 0. .00 c ATOMO 166 OD1 ASN A 13 8. 808 -0. 225 4. .480 1. .00 0. ,00 0 ATOMO 167 ND2 ASN A 13 9. 832 -1. 247 6. .198 1. .00 0. .00 N ATOMO 168 H ASN A 13 8. 273 -0. 856 2. ,605 1. ,00 0. ,00 H ATOMO 169 HA ASN A 13 9. 968 -3. 222 2. 230 1. 00 0. 00 H ATOMO 170 1HB ASN A 13 10. 772 -2. 798 4. 530 1. ,00 0. ,00 H ATOMO 171 2HB ASN A 13 11. 085 -1. 445 3. 448 1. 00 0. 00 H ATOMO 172 1HD2 ASN A 13 10. 463 -1. 948 6. 463 1. 00 0. 00 H ATOMO 173 2HD2 ASN A 13 9. 373 -0. 661 6. 835 1. 00 0. 00 H ATOMO 174 N THR A 14 7. 083 -3. 394 3. 249 1. 00 0. 00 ATOMO 175 CA THR A 14 6. 036 -4. 209 3. 851 1. 00 0. 00 c ATOMO 176 C THR A 14 5. 469 -5. 201 2. 842 1. 00 0. 00 c ATOMO 177 0 THR A 14 5.944 -5.291 1.710 1.00 0.00 0 ATOMO 178 CB THR A 14 4 .915 -3 .318 4 .391 1.00 0 .00 C ATOMO 179 0G1 THR A 14 4 .316 -2 .576 3 .344 1 .00 0 .00 0 ATOMO 180 CG2 THR A 14 5 .386 -2 .334 5 .441 1 .00 0 .00 c ATOMO 181 H THR A 14 6 .835 -2 .734 2 .572 1 .00 0 .00 H ATOMO 182 HA THR A 14 6 .473 -4 .759 4 .671 1 .00 0 .00 H ATOMO 183 HB THR A 14 4 .157 -3 .944 4 .841 1 .00 0 .00 H ATOMO 184 HG1 THR A 14 4 .015 -3 .176 2 .658 1 .00 0 .00 H ATOMO 185 1HG2 THR A 14 5 .085 -2 .680 6 .419 1 .00 0 .00 H ATOMO 186 2HG2 THR A 14 4 .948 -1 .367 5 .250 1 .00 0 .00 H ATOMO 187 3HG2 THR A 14 6 .462 -2 .256 5 .403 1 .00 0 .00 H ATOMO 188 N GLN A 15 4 .451 -5 .942 3 .261 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3 .813 -6 .929 2 .402 1 .00 0 .00 c ATOMO 190 C GLN A 15 3 .071 -6 .252 1 .249 1 .00 0 .00 c ATOMO 191 0 GLN A 15 2 .677 -5 .091 1 .359 1 .00 0 .00 o ATOMO 192 CB GLN A 15 2 .842 -7 .781 3 .220 1 .00 0 .00 c ATOMO 193 CG GLN A 15 3 .465 -8 .388 4 .466 1 .00 0 .00 c ATOMO 194 CD GLN A 15 4 .132 -9 .723 4 .194 1 .00 0 .00 c ATOMO 195 OEl GLN A 15 3 .522 -10 .629 3 .626 1 .00 0 .00 0 ATOMO 196 NE2 GLN A 15 5 .391 -9 .849 4 .596 1 .00 0 .00 N ATOMO 197 H GLN A 15 4 .119 -5 .823 4 .174 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4 .585 -7 .566 1 .996 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 2 .009 -7 .164 3 .524 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2 .475 -8 .582 2 .601 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 4 .208 -7 .705 4 .851 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2 .692 -8 .533 5 .206 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 5 .813 -9 .084 5 .041 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 5 .845 -10 .701 4 .433 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .862 -6 .965 0 .122 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .157 -6 .409 -1 .038 1 .00 0 .00 c ATOMO 207 C PRO A 16 0 .712 -6 .053 -0 .710 1 .00 0 .00 c ATOMO 208 0 PRO A 16 0 .273 -6 .201 0 .430 1 .00 0 .00 o ATOMO 209 CB PRO A 16 2 .210 -7 .536 -2 .076 1, .00 0 .00 c ATOMO 210 CG PRO A 16 2 .444 -8 .775 -1 .285 1, .00 0 .00 c ATOMO 211 CD PRO A 16 3 .285 -8, .360 -0. .113 1, .00 0, .00 c ATOMO 212 HA PRO A 16 2. .660 -5. .534 -1, .425 1. .00 0 .00 H ATOMO 213 1HB PRO A 16 1 .272 -7 .580 -2, .611 1, .00 0, .00 H ATOMO 214 2HB PRO A 16 3. .017 -7, .352 -2 .769 1. .00 0. .00 H ATOMO 215 1HG PRO A 16 1. .500 -9, .179 -0, .946 1. .00 0, .00 H ATOMO 216 2HG PRO A 16 2. .970 -9, .502 -1, .885 1, .00 0. .00 H ATOMO 217 1HD PRO A 16 3 .070 -8, .979 0, .745 1. .00 0. .00 H ATOMO 218 2HD PRO A 16 4. .334 -8. .408 -0, .363 1. .00 0. .00 H ATOMO 219 N CYS A 17 -0. .024 -5. .584 -1, .712 1. .00 0. .00 N ATOMO 220 CA CYS A 17 -1. .419 -5. .210 -1. ,518 1. .00 0. .00 c ATOMO 221 C CYS A 17 -2. .338 -6. .415 -1.. .690 1. .00 0, .00 c ATOMO 222 0 CYS A 17 -1. .891 -7. .516 -2. .012 1. .00 0. ,00 o ATOMO 223 CB CYS A 17 -1. .820 -4. .103 -2. .493 1. .00 0. .00 c ATOMO 224 SG CYS A 17 -0. .768 -2. .617 -2. .413 1. .00 0. ,00 s ATOMO 225 H CYS A 17 0. .378 -5. .488 -2. ,599 1. ,00 0. ,00 H ATOMO 226 HA CYS A 17 -1. .524 -4. .840 -0. .510 1. ,00 0. ,00 H ATOMO 227 1HB CYS A 17 -1. ,771 -4. ,485 -3. ,502 1. 00 0. 00 H ATOMO 228 2HB CYS A 17 -2. ,833 -3. ,798 -2. ,277 1. 00 0. 00 H ATOMO 229 N CYS A 18 -3. 624 -6. ,190 -1. ,463 1. 00 0. ,00 N ATOMO 230 CA CYS A 18 -4. ,629 -7. ,237 -1. ,578 1. 00 0. 00 c ATOMO 231 C CYS A 18 -5. 425 -7. 082 -2. 868 1. 00 0. 00 c ATOMO 232 0 CYS A 18 -5. 359 -6. ,047 -3. 529 1. 00 0. 00 o ATOMO 233 CB CYS A 18 -5. 575 -7. 190 -0. ,375 1. 00 0. ,00 c ATOMO 234 SG CYS A 18 -4.,733 -7.254 1.241 1.00 0..00 s ATOMO 235 H CYS A 18 -3. 906 -5 .289 -1 .204 1 .00 0. .00 H ATOMO 236 HA CYS A 18 -4. 121 -8 .189 -1 .591 1 .00 0. .00 H ATOMO 237 1HB CYS A 18 -6. 142 -6 .271 -0 .410 1 .00 0. ,00 H ATOMO 238 2HB CYS A 18 -6. 255 -8 .026 -0 .425 1 .00 0. ,00 H ATOMO 239 N ASP A 19 -6. ,179 -8 .117 -3 .223 1 .00 0. ,00 N ATOMO 240 CA ASP A 19 -6. ,991 -8 .096 -4 .438 1 .00 0. .00 c ATOMO 241 C ASP A 19 -6. ,140 -7 .766 -5 .663 1 .00 0. ,00 c ATOMO 242 O ASP A 19 -6. 620 -7 .161 -6 .620 1 .00 0. ,00 0 ATOMO 243 CB ASP A 19 -8. 123 -7 .076 -4 .300 1 .00 0. ,00 C ATOMO 244 CG ASP A 19 -9. ,234 -7 .563 -3 .390 1 .00 0. ,00 C ATOMO 245 OD1 ASP A 19 -9. ,549 -6 .858 -2 .409 1 .00 0. .00 0 ATOMO 246 OD2 ASP A 19 -9. ,787 -8 .650 -3 .658 1 .00 0. ,00 0 ATOMO 247 H ASP A 19 -6. ,189 -8 .913 -2 .654 1 .00 0. .00 H ATOMO 248 HA ASP A 19 -7. ,419 -9 .078 -4 .566 1 .00 0. .00 H ATOMO 249 1HB ASP A 19 -7. 725 -6 .159 -3 .892 1 .00 0, .00 H ATOMO 250 2HB ASP A 19 -8. ,542 -6 .879 -5 .276 1 .00 0. .00 H ATOMO 251 N ASP A 20 -4. 874 -8 .170 -5 .619 1 .00 0. .00 N ATOMO 252 CA ASP A 20 -3. ,947 -7 .920 -6 .718 1 .00 0. ,00 c ATOMO 253 C ASP A 20 -3. ,704 -6 .425 -6 .900 1 .00 0. .00 c ATOMO 254 O ASP A 20 -3. ,558 -5 .942 -8 .024 1 .00 0. .00 0 ATOMO 255 CB ASP A 20 -4. 477 -8 .528 -8 .019 1 .00 0. .00 c ATOMO 256 CG ASP A 20 -4. 970 -9 .950 -7 .835 1 .00 0. ,00 c ATOMO 257 OD1 ASP A 20 -6. 057 -10 .130 -7 .247 1 .00 0. ,00 0 ATOMO 258 OD2 ASP A 20 -4. 270 -10 .884 -8 .279 1 .00 0. .00 0 ATOMO 259 H ASP A 20 -4. 552 -8 .645 -4 .826 1 .00 0. .00 H ATOMO 260 HA ASP A 20 -3. 009 -8 .392 -6 .468 1 .00 0. ,00 H ATOMO 261 1HB ASP A 20 -5. 296 -7 .928 -8 .384 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -3. 685 -8 .533 -8 .754 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3. 653 -5 .699 -5 .789 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3. 419 -4 .259 -5 .829 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1. 934 -3 .955 -5 .971 1 .00 0. 00 c ATOMO 266 O ALA A 21 -1. 100 -4 .861 -5 .954 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3. 975 -3 .591 -4 .578 1 .00 o: 00 c ATOMO 268 H ALA A 21 -3. 772 -6 .143 -4 .923 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3. 943 -3 .859 -6 .685 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -4. 003 -4 .306 -3, .772 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4. 97 -3 .230 -4, .775 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3. 342 -2 .760 -4, .300 1 .00 0. 00 H ATOMO 273 N THR A 22 -1. 609 -2 .676 -6. .109 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0. 227 -2 .251 -6, .253 1 .00 0. 00 c ATOMO 275 C THR A 22 0. 046 -1 .006 -5, .415 1 .00 0. 00 c ATOMO 276 O THR A 22 -0. 790 -0 .105 -5, .333 1 .00 0. 00 o ATOMO 277 CB THR A 22 0. 087 -1 .971 -7, .723 1 .00 0. 00 c ATOMO 278 OG1 THR A 22 -0. 161 -3 .119 -8, .515 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 519 -1 .550 -7. .960 1, .00 0. 00 c ATOMO 280 H THR A 22 -2. 318 -2 .000 -6. .115 1 .00 0. 00 H ATOMO 281 HA THR A 22 0. 406 -3 .053 -5. .904 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. 554 -1 .174 -8, .071 1, .00 0. 00 H ATOMO 283 HG1 THR A 22 -1. 105 -3 .208 -8, .663 1, .00 0. 00 H ATOMO 284 1HG2 THR A 22 1. 620 -0 .493 -7. .763 1, .00 0. 00 H ATOMO 285 2HG2 THR A 22 1. 789 -1 .753 -8, .985 1, .00 0. 00 H ATOMO 286 3HG2 THR A 22 2. 170 -2 .103 -7. ,299 1. .00 0. 00 H ATOMO 287 N CYS A 23 1. 222 -0, .961 -4. ,798 1. .00 0. 00 N ATOMO 288 CA CYS A 23 1. 608 0, .175 -3. ,972 1. .00 0. 00 c ATOMO 289 C CYS A 23 2. 073 1, .326 -4. ,862 1. ,00 0. 00 c ATOMO 290 O CYS A 23 3. 097 1, .224 -5. ,535 1. .00 0. 00 0 ATOMO 291 CB CYS A 23 2.721 -0.237 -3.003 1.00 0.00 c ATOMO 292 SG CYS A 23 2. 879 0 .833 -1 .538 1 .00 0. 00 s ATOMO 293 H CYS A 23 1. 847 -1 .709 -4 .905 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0. 743 0 .490 -3 .408 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2. 529 -1 .241 -2 .654 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3. 665 -0 .220 -3 .526 1 .00 0. .00 H ATOMO 297 N THR A 24 1. 299 2 .409 -4 .881 1 .00 0. .00 N ATOMO 298 CA THR A 24 1. 618 3 .562 -5 .712 1.00 0. ,00 c ATOMO 299 C THR A 24 1. 777 4 .834 -4 .883 1 .00 0. 00 c ATOMO 300 O THR A 24 1. 232 4 .961 -3 .786 1 .00 0. 00 0 ATOMO 301 CB THR A 24 0. 524 3 .758 -6 .772 1 .00 0. 00 c ATOMO 302 OG1 THR A 24 0. 546 2 .699 -7 .712 1 .00 0. ,00 0 ATOMO 303 CG2 THR A 24 0. 643 5 .058 -7 .547 1 .00 0. 00 c ATOMO 304 H THR A 24 0. 485 2 .427 -4 .341 1 .00 0. 00 H ATOMO 305 HA THR A 24 2. 552 3 .359 . -6 .214 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0. 439 3 .753 -6 .282 1 .00 0. ,00 H ATOMO 307 HG1 THR A 24 -0. 299 2 .244 -7 .703 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 410 5 .886 -6 .892 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 047 5 .049 -8 .376 1 .00 0. ,00 H ATOMO 310 3HG2 THR A 24 1. 652 5 .165 -7 .916 1 .00 0. 00 H ATOMO 311 N GLN A 25 2. 519 5 .778 -5 .449 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2. 760 7 .065 -4 .822 1 .00 0. 00 c ATOMO 313 C GLN A 25 1. 519 7 .951 -4 .940 1 .00 0. 00 c ATOMO 314 0 GLN A 25 0. 957 8 .110 -6 .023 1 .00 0. 00 0 ATOMO 315 CB GLN A 25 3. 965 7 .740 -5 .490 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4. 198 9 .170 -5 .038 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5. 564 9 .694 -5 .437 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 5. 696 10 .439 -6 .409 1 .00 0. 00 o ATOMO 319 NE2 GLN A 25 6. 589 9 .307 -4 .687 1 .00 0. 00 N ATOMO 320 H GLN A 25 2. 903 5 .607 -6 .331 1 .00 0. 00 H ATOMO 321 HA GLN A 25 2. 981 6 .902 -3 .778 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4. 852 7 .166 -5 .266 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3. 811 7 .744 -6 .560 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3. 442 9 .798 -5 .484 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 109 9 .209 -3 .965 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 6. 410 8 .713 -3 .929 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 7. 483 9 .631 -4 .923 1 .00 0. 00 H ATOMO 328 N GLU A 26 1. 102 8 .524 -3 .818 1 .00 0. 00 N ATOMO 329 CA GLU A 26 -0. 066 9 .394 -3 .790 1 .00 0. 00 c ATOMO 330 C GLU A 26 0. 135 10 .540 -2 .805 1 .00 0. 00 c ATOMO 331 0 GLU A 26 1. 194 10 .666 -2 .191 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1. 316 8 .595 -3 .415 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1. 568 7, .403 -4 .323 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2. 882 6, .708 -4 .022 1 .00 0. 00 c ATOMO 335 OE1 GLU A 26 -3. 814 .385 -3 .539 1 .00 0. 00 0 ATOMO 336 OE2 GLU A 26 -2. 978 5, .488 -4 .270 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1. 596 8, .358 -2 .989 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0. 198 9, .806 -4 .780 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1. 208 8 .235 -2 .403 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2. 174 9. .247 -3 .467 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1.. 586 7, .743 -5 .347 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 764 6. .693 -4 .195 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0. 889 11. .374 -2 .662 1. .00 0. 00 N ATOMO 344 CA ARG A 27 -0. 826 12. .514 -1, .753 1, .00 0. 00 c ATOMO 345 C ARG A 27 -1. 843 12. .370 -0. .624 1, .00 0. 00 c ATOMO 346 O ARG A 27 -2. 970 11. .925 -0 .843 1, .00 0. 00 o ATOMO 347 CB ARG A 27 -1. 079 13. ,815 -2 .517 1, .00 0. 00 c ATOMO 348 CG ARG A 27 0.142 14.330 -3.262 1.00 0.00 c ATOMO 349 CD ARG A 27 0 .226 15 .847 -3 .219 1 .00 0 .00 c ATOMO 350 NE ARG A 27 -0 .806 16 .477 -4 .043 1 .00 0 .00 N ATOMO 351 CZ ARG A 27 -0 .802 17 .764 -4 .392 1 .00 0 .00 c ATOMO 352 NH1 ARG A 27 0 .175 18 .571 -3 .991 1 .00 0 .00 N ATOMO 353 NH2 ARG A 27 -1 .780 18 .246 -5 .146 1 .00 0 .00 N ATOMO 354 H ARG A 27 -1 .705 11 .220 -3 .181 1.00 0 .00 H ATOMO 355 HA ARG A 27 0 .165 12 .546 -1 .326 1 .00 0 .00 H ATOMO 356 1HB ARG A 27 -1 .870 13 .650 -3 .235 1 .00 0 .00 H ATOMO 357 2HB ARG A 27 -1 .395 14 .575 -1 .817 1 .00 0 .00 H ATOMO 358 1HG ARG A 27 1 .030 13 .918 -2 .807 1 .00 0 .00 H ATOMO 359 2HG ARG A 27 0 .083 14 .010 -4 .292 1 .00 0 .00 H ATOMO 360 1HD ARG A 27 0 .103 16 .173 -2 .196 1 .00 0 .00 H ATOMO 361 2HD ARG A 27 1 .197 16 .152 -3 .579 1 .00 0 .00 H ATOMO 362 HE ARG A 27 -1 .541 15 .909 -4 .355 1 .00 0 .00 H ATOMO 363 1HH1 ARG A 27 0 .917 18 .218 -3 .422 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 0 .168 19 .534 -4 .259 1 .00 0 .00 H ATOMO 365 1HH2 ARG A 27 -2 .518 17 .645 -5 .451 1 .00 0 .00 H ATOMO 366 2HH2 ARG A 27 -1 .779 19.210 -5 .409 1 .00 0 .00 H ATOMO 367 N ASN A 28 -1 .436 12 .748 0 .583 1 .00 0 .00 N ATOMO 368 CA ASN A 28 -2 .311 12 .660 1 .746 1 .00 0 .00 c ATOMO 369 C ASN A 28 -2 .957 14 .009 2 .045 1 .00 0 .00 c ATOMO 370 0 ASN A 28 -2 .783 1 .971 1 .297 1 .00 0 .00 0 ATOMO 371 CB ASN A 28 -1 .525 12 .174 2 .967 1 .00 0 .00 c ATOMO 372 CG ASN A 28 -0, .425 13 .137 3 .372 1 .00 0 .00 c ATOMO 373 0D1 ASN A 28 -0 .151 14, .112 2 .675 1 .00 0 .00 0 ATOMO 374 ND2 ASN A 28 0 .213 12, .864 .505 1 .00 0, .00 N ATOMO 375 H ASN A 28 -0, .526 13, .093 0, .695 1 .00 0, .00 H ATOMO 376 HA ASN A 28 -3, .088 11 .946 1, .523 1 .00 0, .00 H ATOMO 377 1HB ASN A 28 -2. .202 12, .060 3 .B01 1, .00 0, .00 H ATOMO 378 2HB ASN A 28 -1. .076 11, .221 2, .740 1, .00 0. .00 H ATOMO 379 1HD2 ASN A 28 -0. .059 12, .068 5, .008 1, .00 0. .00 H ATOMO 380 2HD2 ASN A 28 0. .928 13, .469 4 , .790 1, .00 0. .00 H ATOMO 381 N GLÜ A 29 -3. ,701 14. .073 3. .144 1, .00 0. .00 N ATOMO 382 CA GLU A 29 -4. ,370 15. .305 3. .542 1. .00 0. .00 c ATOMO 383 C GLÜ A 29 -3. ,350 16. .385 3. ,898 1. .00 0. .00 c ATOMO 384 O GLÜ A 29 -3. ,598 17. .575 3. 704 1. ,00 0. .00 0 ATOMO 385 CB GLU A 29 -5. ,304 15. .041 4. ,729 1. .00 0. ,00 c ATOMO 386 CG GLÜ A 29 -6. ,744 15. ,451 4. 469 1. ,00 0. 00 c ATOMO 387 CD GLU A 29 -7. 143 16. ,701 5. 228 1. ,00 0. 00 c ATOMO 388 OE1 GLU A 29 -7. 470 16. 590 6. 429 1. 00 0. 00 0 ATOMO 389 OE2 GLU A 29 -7. 127 17. 794 4. 622 1. 00 0. 00 o ATOMO 390 H GLU A 29 -3. 801 13. 273 3. 702 1. 00 0. 00 H ATOMO 391 HA GEU A 29 -4. 957 15. 647 2. 703 1. 00 0. 00 H ATOMO 392 1HB GLU A 29 -5. 290 13. 984 4. 951 1. 00 0. 00 H ATOMO 393 2HB GLU A 29 -4. 946 15. 584 5. 591 1. 00 0. 00 H ATOMO 394 1HG GLU A 29 -6. 868 15. 636 3. 412 1. 00 0. 00 H ATOMO 395 2HG GLU A 29 -7. 394 14. 642 4. 770 1. 00 0. 00 H ATOMO 396 N ASN A 30 -2. 203 15. 960 4. 419 1. 00 0. 00 N ATOMO 397 CA ASN A 30 -1. 147 16. 891 4. 800 1. 00 0. 00 c ATOMO 398 C ASN A 30 -0. 452 17. 464 3. 568 1. 00 0. 00 c ATOMO 399 0 ASN A 30 0. 044 18. 590 3. 592 1. 00 0. 00 0 ATOMO 400 CB ASN A 30 -0. 124 16. 196 5. 700 1. 00 0. 00 c ATOMO 401 CG ASN A 30 -0. 681 15. 866 7. 077 1. 00 0. 00 c ATOMO 402 OD1 ASN A 30 -1. 334 14. 863 7. 280 1. 00 0. 00 0 ATOMO 403 ND2 ASN A 30 -0. 425 16. 773 8. 031 1. 00 0. 00 N ATOMO 404 H ASN A 30 -2. 063 14. 999 4. 549 1. 00 0. 00 H ATOMO 405 HA ASN A 30 -1.603 17.701 5.349 1.00 0.00 H ATOMO 406 1HB ASN A 30 0 .180 15 .267 5 .239 1 .00 0 .00 H ATOMO 407 2HB ASN A 30 0 .739 16.834 5 .816 1 .00 0 .00 H ATOMO 408 1HD2 ASN A 30 0 .102 17 .566 7 .798 1 .00 0 .00 H ATOMO 409 2HD2 ASN A 30 -0 .772 16 .599 8 .931 1 .00 0 .00 H ATOMO 410 N GLY A 31 -0 .421 16 .683 2 .491 1 .00 0 .00 N ATOMO 411 CA GLY A 31 0 .213 17 .137 1 .266 1 .00 0 .00 C ATOMO 412 C GLY A 31 1 .569 16 .494 1 .012 1 .00 0 .00 c ATOMO 413 0 GLY A 31 2 .251 16 .847 0 .049 1 .00 0 .00 0 ATOMO 414 H GLY A 31 -0 .833 15 .793 2 .527 1 .00 0 .00 H ATOMO 415 1HA GLY A 31 -0, .438 16 .910 0 .435 1 .00 0 .00 H ATOMO 416 2HA GLY A 31 0, .343 18 .208 1 .320 1 .00 0 .00 H ATOMO 417 N HIS A 32 1. .966 15 .550 1 .864 1 .00 0 .00 N ATOMO 418 CA HIS A 32 3. .247 14 .873 1 .703 1 .00 0 .00 c ATOMO 419 C HIS A 32 3 .082 13 .611 0 .859 1 .00 0 .00 c ATOMO 420 O HIS A 32 2, .011 13 .005 0 .836 1 .00 0 .00 0 ATOMO 421 CB HIS A 32 3. .841 14 .527 3 .074 1 .00 0 .00 c ATOMO 422 CG HIS A 32 5. .122 15 .245 3 .364 1 .00 0 .00 c ATOMO 423 ND1 HIS A 32 6. .163 14 .674 4 .065 1 .00 0 .00 N ATOMO 424 CD2 HIS A 32 5. .528 16 .497 3 .045 1 .00 0 .00 c ATOMO 425 CE1 HIS A 32 7, ,154 15 .542 4 .164 1 .00 0 .00 c ATOMO 426 NE2 HIS A 32 6. ,794 16 .656 3 .553 1 .00 ó .00 N ATOMO 427 H HIS A 32 1. .389 15 .300 2 .613 1 .00 0 .00 H ATOMO 428 HA HIS A 32 3, .915 15 .548 1 .189 1 .00 0 .00 H ATOMO 429 1HB HIS A 32 3. .132 14 .793 3 .842 1 .00 0 .00 H ATOMO 430 2HB HIS A 32 4, .036 13 .465 3 .124 1 .00 0 .00 H ATOMO 431 HD1 HIS A 32 6. .175 13 .766 .434 1 .00 0 .00 H ATOMO 432 HD2 HIS A 32 4. .961 17 .234 2 .492 1 .00 0 .00 H ATOMO 433 HE1 HIS A 32 8. .098 15 .371 4 .659 1 .00 0 .00 H ATOMO 434 HE2 HIS A 32 7. .378 17 .426 3 .394 1 .00 0 .00 H ATOMO 435 N THR A 33 4. ,147 13 .220 0 .167 1 .00 0 .00 N ATOMO 436 CA THR A 33 4. ,110 12. .031 -0, .676 1 .00 0 .00 c ATOMO 437 C THR A 33 3. 980 10. .769 0. .167 1, .00 0. .00 c ATOMO 38 0 THR A 33 4. 712 10. .577 1, .138 1, .00 0, .00 0 ATOMO 439 CB THR A 33 5. 366 11, .950 -1, .546 1, .00 0. .00 c ATOMO 440 OG1 THR A 33 5. 510 13. .121 -2, .330 ?, .00 0. .00 o ATOMO 441 CG2 THR A 33 5. 362 10. .764 -2. ,488 1. ,00 0. .00- c ATOMO 442 H THR A 33 4. 974 13. .743 0, ,223 1. .00 0. ,00 H ATOMO 443 HA THR A 33 3. 245 12. .110 -1, ,317 1. .00 0. .00 H ATOMO 444 HB THR A 33 6. 231 11. .861 -0, .905 1. .00 0. .00 H ATOMO 445 HG1 THR A 33 4. 690 13. .298 -2. .797 1. .00 0. .00 H ATOMO 446 1HG2 THR A 33 6. 374 10. .410 -2. .627 1. .00 0. .00 H ATOMO 447 2HG2 THR A 33 4. 951 11. ,060 -3. .441 1. ,00 0. ,00 H ATOMO 448 3HG2 THR A 33 4. 760 9. .970 -2. .068 1. ,00 0. 00 H ATOMO 449 N VAL A 34 3. 043 9. .910 -0. ,216 1. ,00 0. 00 N ATOMO 450 CA VAL A 34 2. 811 8. ,662 0. ,496 1. ,00 0. 00 c ATOMO 451 C VAL A 34 2. 588 7. 517 -0. ,482 1. ,00 0. 00 c ATOMO 452 0 VAL A 34 2. 484 7. 730 -1. ,689 1. ,00 0. 00 o ATOMO 453 CB VAL A 34 1. 593 8. ,769 1. ,434 1. ,00 0. 00 c ATOMO 454 CG1 VAL A 34 1. 856 9. 778 2. 540 1. 00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 344 9. 141 0. 650 1. 00 0. 00 c ATOMO 456 H VAL A 34 2. 494 10. 122 -0. 999 1. 00 0. 00 H ATOMO 457 HA VAL A 34 3. 683 8. 446 1. 094 1. 00 0. 00 H ATOMO 458 HB VAL A 34 1. 430 7. B03 1. 892 1. 00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. 919 9. B38 2. 727 1. 00 0. 00 H ATOMO 460 2HG1 VAL A 34 1. 349 9. 467 3. 440 1. 00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. 490 10. 748 2. 236 1. 00 0. 00 H ATOMO 462 1HG2 VAL A 34 0.525 10.050 0.094 .1.00 0.00 H ATOMO 463 2HG2 VAL A 34 -0 .478 9.297 1 .334 1.00 0 .00 H ATOMO 464 3HG2 VAL A 34 0 .096 8.344 -0 .034 1.00 0 .00 H ATOMO 465 N TYR A 35 2 .517 6.302 0 .043 1.00 0 .00 N ATOMO 466 CA TYR A 35 2 .303 5.121 -0 .788 1.00 0 .00 c ATOMO 467 C TYR A 35 0 .991 4.440 -0 .417 1.00 0 .00 c ATOMO 468 0 TYR A 35 0 .768 4.096 0 .743 1.00 0 .00 0 ATOMO 469 CB TYR A 35 3 .469 4.141 -0 .635 1.00 0 .00 c ATOMO 470 CG TYR A 35 4 .828 4.805 -0 .631 1.00 0 .00 c ATOMO 471 CDl TYR A 35 5 .403 5.260 -1 .812 1.00 0 .00 c ATOMO 472 CD2 TYR A 35 5 .536 4.978 0 .553 1.00 0 .00 c ATOMO 473 CE1 TYR A 35 6 .645 5.868 -1 .812 1.00 0 .00 c ATOMO 474 CE2 TYR A 35 6 .778 5.585 0 .559 1.00 0 .00 c ATOMO 475 CZ TYR A 35 7 .327 6.028 -0 .625 1.00 0 .00 c ATOMO 476 OH TYR A 35 8 .562 6.633 -0 .622 1.00 0 .00 o ATOMO 477 H TYR A 35 2 .609 6.196 1 .013 1.00 0 .00 H ATOMO 478 HA TYR A 35 2 .249 5.445 -1 .817 1.00 0 .00 H ATOMO 479 1HB TYR A 35 3 .361 3.604 0 .296 1.00 0 .00 H ATOMO 480 2HB TYR A 35 3 .446 3.439 -1 .454 1.00 0 .00 H ATOMO 481 HD1 TYR A 35 4 .866 5.134 -2 .739 1.00 0 .00 H ATOMO 482 HD2 TYR A 35 5 .103 4.629 1 .478 1.00 0 .00 H ATOMO 483 HE1 TYR A 35 7 .075 6.215 -2 .740 1.00 0 .00 H ATOMO 484 HE2 TYR A 35 7 .311 5.710 1 .490 1.00 0 .00 H ATOMO 485 HH TYR A 35 9 .193 6.072 -0 .165 1.00 0 .00 H ATOMO 486 N TYR A 36 0 .119 4.256 -1 .405 1.00 0 .00 N ATOMO 487 CA TYR A 36 -1 .176 3.624 -1 .169 1.00 0 .00 c ATOMO 488 C TYR A 36 -1 .380 2.415 -2 .075 1.00 0 .00 c ATOMO 489 O TYR A 36 -0 .643 2.213 -3 .039 1.00 0 .00 0 ATOMO 490 CB TYR A 36 -2 .304 4.634 -1 .388 1.00 0 .00 c ATOMO 491 CG TYR A 36 -2 .704 5.378 -0 .133 1.00 0 .00 c ATOMO 492 CDl TYR A 36 -1 .849 6.306 0 .449 1.00 0 .00 c ATOMO 493 CD2 TYR A 36 -3 .935 5.152 0 .469 1.00 0 .00 c ATOMO 494 CE1 TYR A 36 -2 .210 6.987 1 .596 1.00 0 .00 c ATOMO 495 CE2 TYR A 36 -4 .303 5.830 1 .616 1.00 0 .00 c ATOMO 496 CZ TYR A 36 -3. .438 6.745 2 .175 1.00 0 .00 c ATOMO 497 OH TYR A 36 -3 .801 7.422 3 .316 1.00 0 .00 0 ATOMO 498 H TYR A 36 0 .348 4.558 -2 .310 1.00 0 .00 H ATOMO 499 HA TYR A 36 -1 .200 3.293 -0 .144 1.00 0 .00 H ATOMO 500 1HB TYR A 36 -1 .989 5.363 -2 .118 1.00 0 .00 H ATOMO 501 2HB TYR A 36 -3 .177 4.116 -1 .759 1.00 0 .00 H ATOMO 502 HD1 TYR A 36 -0 .888 6.493 -0 .007 1.00 0 .00 H ATOMO 503 HD2 TYR A 36 -4 .612 4.433 0 .029 1.00 0 .00 H ATOMO 504 HE1 TYR A 36 -1 .533 7.705 2 .033 1.00 0 .00 H ATOMO 505 HE2 TYR A 36 -5 .266 5.640 2, .069 1.00 0 .00 H ATOMO 506 HH TYR A 36 -4 .699 7.750 3, .222 1.00 0 .00 H ATOMO 507 N CYS A 37 -2 .387 1.612 -1, .749 1.00 0 .00 N ATOMO 508 CA CYS A 37 -2 .698 0.411 -2. .522 1.00 0 .00 c ATOMO 509 C CYS A 37 -3 .872 0.657 -3. .462 1.00 0. .00 c ATOMO 510 0 CYS A 37 -4, .888 1.229 -3. .070 1.00 0. .00 0 ATOMO 511 CB CYS A 37 -3 .022 -0.754 -1. .584 1.00 o. .00 c ATOMO 512 SG CYS A 37 -1 .551 -1.553 -0. .869 1.00 0, .00 s ATOMO 513 H CYS A 37 -2 .927 1.829 -0, .960 1.00 0. .00 H ATOMO 514 HA CYS A 37 -1, .829 0.157 -3. .110 1.00 0. .00 H ATOMO 515 1HB CYS A 37 -3, .633 -0.394 -0. .768 1.00 0, .00 H ATOMO 516 2HB CYS A 37 -3 .571 -1.505 -2. .126 1.00 0. .00 H ATOMO 517 N ARG A 38 -3 .717 0.224 -4. .711 1.00 0, .00 N ATOMO 518 CA ARG A 38 -4 , .757 0.397 -5. .715 1.00 0, .00 c ATOMO 519 C ARG A 38 -5.026 -0.911 -6.447 1.00 0.00 c ATOMO 520 0 ARG A 38 -4. 107 -1. 553 -6. 956 1.00 0. 00 0 ATOMO 521 CB ARG A 38 -4. 351 1. 480 -6. 716 1.00 0, 00 c ATOMO 522 CG ARG A 38 -4. 122 2. 840 -6. 081 1.00 0. 00 c ATOMO 523 CD ARG A 38 -5. 436 3. 526 -5. 750 1.00 0. 00 c ATOMO 524 NE ARG A 38 -5. 357 4. 974 -5. 928 1.00 0. 00 N ATOMO 525 CZ ARG A 38 -6. 343 5. 820 -5. 623 1.00 0. 00 c ATOMO 526 NH1 ARG A 38 -7. 490 5. 370 -5. 122 1.00 0. 00 N ATOMO 527 NH2 ARG A 38 -6. 181 7. 121 -5. 819 1.00 0. 00 N ATOMO 528 H ARG A 38 -2. 882 -0. 221 -4. 961 1.00 0. 00 H ATOMO 529 HA ARG A 38 -5. 659 0. 705 -5. 208 1.00 0. 00 H ATOMO 530 1HB ARG A 38 -3. 438 1. 176 -7. 206 1.00 0. 00 H ATOMO 531 2HB ARG A 38 -5. 130 1. 579 -7. 457 1.00 0. 00 H ATOMO 532 1HG ARG A 38 -3. 555 2. 711 -5. 171 1.00 0. 00 H ATOMO 533 2HG ARG A 38 -3. 566 3. 459 -6. 769 1.00 0. 00 H ATOMO 534 1HD ARG A 38 -6. 206 3. 134 -6. 399 1.00 0. 00 H ATOMO 535 2HD ARG A 38 -5. 690 3. 311 -4. 722 1.00 0. 00 H ATOMO 536 HE ARG A 38 -4. 526 5. 339 -6. 296 1.00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7. 621 4. 392 -4. 970 1.00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8. 221 6. 014 -4. 896 1.00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5. 321 7. 467 -6. 196 1.00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6. 919 7. 757 -5. 591 1.00 0. 00 H ATOMO 541 N ALA A 39 -6. 294 -1. 298 -6. 497 1.00 0. 00 N ATOMO 542 CA ALA A 39 -6. 693 -2. 528 -7. 167 1.00 0. 00 c ATOMO 543 C ALA A 39 -6. 570 -2. 393 -8. 681 1.00 0. 00 c ATOMO 544 O ALA A 39 -7. 561 -1. 980 -9. 320 1.00 0. 00 0 ATOMO 545 CB ALA A 39 -8. 117 -2. 902 -6. 785 1.00 0. 00 c ATOMO 546 OXT ALA A 39 -5. 483 -2. 700 -9. 215 1.00 0. 00 o ATOMO 547 H ALA A 39 -6. 978 -0. 739 -6, 071 1.00 0. 00 H ATOMO 548 HA ALA A 39 -6. 036 -3, 318 -6. 832 1.00 0. 00 H ATOMO 549 1HB ALA A 39 -8. 113 -3. 416 -5; 835 1.00 0. 00 H ATOMO 550 2HB ALA A 39 -8. 535 -3. 549 -7. 542 1.00 0. 00 H ATOMO 551 3HB ALA A 39 -8. 716 -2, 006 -6. 706 1.00 0. 00 H TER 552 ALA A 39 ENDMDL MODELO 11 ATOMO 1 N GLY A 1 -1. 825 -15. 001 2. 535 1.00 0. 00 N ATOMO 2 CA GLY. A i -1. 407 -15. 012 3. 964 1.00 0. 00 c ATOMO 3 C GLY A. 1 -1. 513 -13. 645 4. 610 1.00 0. 00 c ATOMO 4 0 GLY A 1 -2. 228 -13. 471 5. 598 1.00 0. 00 o ATOMO 5 1H GLY A 1 -2. 847 -14. 821 2. 463 1.00 0. bo H ATOMO 6 2H GLY A 1 -1. 614 -15. 919 2. 094 1.00 0. 00 H ATOMO 7 3H GLY A 1 -1. 315 -14. 256 2. 019 1.00 0. 00 H ATOMO 8 1HA GLY A 1 -2. 035 -15. 704 4. 506 1.00 0. 00 H ATOMO 9 2HA GLY A 1 -0. 382 -15. 349 4. 025. 1.00 0. 00 H ATOMO 10 N SER A 2 -0. 801 -12. 672 4. 052 1.00 0. 00 N ATOMO 11 CA SER A 2 -0. 818 -11. 313 4. 580 1.00 0. 00 c ATOMO 12 C SER A 2 -0. 581 -10. 295 3. 468 1.00 0. 00 c ATOMO 13 0 SER A 2 0. 395 -10. 391 2. 723 1.00 o: 00 o ATOMO 14 CB SER A 2 0. 245 -11. 152 5. 668 1.00 0. 00 c ATOMO 15 OG SER A 2 0. 479 -12. 380 6. 338 1.00 0. 00 o ATOMO 16 H SE A 2 -0. 250 -12. 873 3. 266 1.00 0. 00 H ATOMO 17 HA SER A 2 -1. 792 -11. 136 5. 011 1.00 0. 00 H ATOMO 18 1HB SER A 2 1. 170 -10. 821 5. 220 1.00 0. 00 H ATOMO 19 2HB SER A 2 -0. 090 -10. 421 6. 389 1.00 0. 00 H ATOMO 20 HG SER A 2 1. 289 -12. 774 6. 010 1.00 0. 00 H ATOMO 21 N CYS A 3 -1. 478 -9. 321 3. 363 1.00 0. 00 N ATOMO 22 CA CYS A 3 -1.365 -8.284 2.345 1.00 0.00 . C ATOMO 23 C CYS A 3 -2 .028 -6 .994 2. 810 1 .00 0 .00 c ATOMO 24 O CYS A 3 -2 .751 -6 .976 3. 807 1 .00 0 .00 o ATOMO 25 CB CYS A 3 -1 .997 -8 .753 1. 031 1 .00 0 .00 c ATOMO 26 SG CYS A 3 -3 .763 -9 .187 1. 159 1 .00 0 .00 s ATOMO 27 H CYS A 3 -2 .233 -9 .294 3. 987 1 .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .314 -8 .096 2. 181 1 r00 0 .00 H ATOMO 29 1HB CYS A 3 -1 .907 -7 .966 0. 297 1 .00 0 .00 H ATOMO 30 2HB CYS A 3 -1 .468 -9 .627 0. 679 1 .00 0 .00 H ATOMO 31 N VAL A 4 -1 .778 -5 .915 2. 079 1 .00 0 .00 N ATOMO 32 CA VAL A 4 -2 .344 -4 .617 2. 403 1 .00 0 .00 c ATOMO 33 C VAL A 4 -3 .692 -4 .430 1. 700 1 .00 0 .00 c ATOMO 34 0 VAL A 4 -3 .800 -4 .667 0. 503 1 .00 0 .00 0 ATOMO 35 CB VAL A 4 -1 .380 -3 .494 1. 980 1 .00 0 .00 c ATOMO 36 CG1 VAL A 4 -1 .972 -2 .123 2. 265 1 .00 0 .00 c ATOMO 37 CG2 VAL A 4 -0 .043 -3 .665 2. 681 1 .00 0 .00 c ATOMO 39 H VAL A 4 -1 .194 -5 .992 1. 297 1 .00 0 .00 H ATOMO 39 HA VAL A 4 -2 .480 -4 .569 3. 471 1 .00 0 .00 H ATOMO 40 HB VAL A 4 -1 .215 -3 .577 0. 917 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1 .200 -1 .374 2. 181 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2 .383 -2 .109 3. 262 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 -2 .755 -1 .916 1. 549 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0 .129 -4 .714 2. 873 1 .00 0 .00 H ATOMO 45 2HG2 VAL A 4 -0 .056 -3 .126 3. 616 1 .00 0 .00 H ATOMO 46 3HG2 VAL A 4 0 .745 -3 .280 2. 052 1 .00 0 .00 H ATOMO 47 N PRO A 5 -4 ,743 -3 .991 2. 420 1 .00 0 .00 N ATOMO 48 CA PRO A 5 -6 .058 -3 .783 1. 811 1 .00 0 .00 c ATOMO 49 C PRO A 5 -6 .039 -2 .642 0. 799 1 .00 0 .00 c ATOMO 50 O PRO A 5 -5 .454 -1 .580 1. 045 1 .00 0 .00 0 ATOMO 51 CB PRO A 5 -6 .972 -3 .436 2. 996 1 .00 0 .00 c ATOMO 52 CG PRO A 5 -6 .195 -3 .781 4. 223 1 .00 0 .00 c ATOMO 53 CD PRO A 5 -4 .745 -3 .654 3. 852 1 .00 0 .00 c ATOMO 54 HA PRO A 5 -6 .413 -4 .684 1. 327 1 .00 0 .00 H ATOMO 55 1HB PRO A 5 -7 .216 -2 .384 2. 968 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 -7 .879 -4 .018 2. 931 1 .00 0 .00 H ATOMO 57 1HG PRO A 5 -6 .439 -3 .092 5. 018 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 -6 .416 -4 .795 4. 524 1 .00 0 .00 H ATOMO 59 1HD PRO A 5 -4 .400 -2 .642 4. 013 1 .00 0 .00 H ATOMO 60 2HD PRO A 5 -4 .150 -4 .353 4. 416 1 .00 0 .00 H ATOMO 61 N VAL A 6 -6 .693 -2 .851 -0. 339 1 .00 0 .00 N ATOMO 62 CA VAL A 6 -6 .752 -1 .835 -1. 371 1 .00 0 .00 c ATOMO 63 C VAL A 6 -7 .373 -0 .567 -0. 815 1 .00 0 .00 c ATOMO 64 0 VAL A 6 -8 .185 -0 .616 0. 107 1 .00 0 .00 0 ATOMO 65 CB VAL A 6 -7 .540 -2 .329 -2. 599 1 .00 0 .00 c ATOMO 66 CG1 VAL A 6 -7 .639 -1 .248 -3. 664 1 .00 0 .00 c ATOMO 67 CG2 VAL A 6 -6 .878 -3 .571 -3. 165 1 .00 0 .00 c ATOMO 68 H VAL A 6 -7 .152 -3 .699 -0. 482 1 .00 0 .00 H ATOMO 69 HA VAL A 6 -5 .740 -1 .620 -1. 682 1 .00 0 .00 H ATOMO 70 HB VAL A 6 -8 .538 -2 .589 -2. 285 1 .00 0 .00 H ATOMO 71 1HG1 VAL A 6 -8 .145 -0 .386 -3. 253 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -8 .195 -1 .626 -4. 508 1 .00 0 .00 H ATOMO 73 3HG1 VAL A 6 -6 .646 -0 .966 -3. 980 1 .00 0 .00 H ATOMO 74 1HG2 VAL A 6 -5 .822 -3 .547 -2. 937 1 .00 0 .00 H ATOMO 75 2HG2 VAL A 6 -7 .015 -3 .597 -4. 234 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7 .322 -4 .449 -2. 721 1 .00 0 .00 H ATOMO 77 N ASP A 7 -6 .949 0 .566 -1. 357 1 .00 0 .00 N ATOMO 78 CA ASP A 7 -7 .412 1 .863 -0. 909 1 .00 0 .00 c ATOMO 79 C ASP A 7 -6.792 2.225 0.443 1.00 0.00 ATOMO 80 0 ASP A 7 -7 .133 3 .254 1 .026 1. 00 0. 00 ATOMO 81 CB ASP A 7 -8 .939 1 .907 -0 .827 1. 00 0. 00 ATOMO 82 CG ASP A 7 -9 .602 1 .411 -2 .097 1. 00 0. 00 ATOMO 83 ODl ASP A 7 -9 .429 2 .060 -3 .149 1. 00 0. 00 ATOMO 84 OD2 ASP A 7 -10 .293 0 .372 -2 .038 1. 00 0. 00 ATOMO 85 H ASP A 7 -6 .282 0 .529 -2 .059 1. 00 0. 00 ATOMO 86 HA ASP A 7 -7 .086 2 .591 -1 .637 1. 00 0. 00 ATOMO 87 1HB ASP A 7 -9 .268 1 .288 -0 .006 1. 00 0. 00 ATOMO 88 2HB ASP A 7 -9 .248 2 .922 -0 .655 1. .00 0. 00 ATOMO 89 N GLN A 8 -5 .864 1 .389 0 .942 1. 00 0. 00 ATOMO 90 CA GLN A 8 -5 .210 1 .665 2 .211 1. 00 0. 00 ATOMO 91 C GLN A 8 -3 .723 1 .931 1 .995 1. ,00 0. 00 ATOMO 92 0 GLN A 8 -3 .145 1 .479 1 .004 1. 00 0. 00 ATOMO 93 CB GLN A 8 -5 .398 0 .502 3 .187 1. ,00 0. 00 ATOMO 94 CG GLN A 8 -6 .844 0 .060 3 .335 1. ,00 0. 00 ATOMO 95 CD GLN A 8 -7 .751 1 .179 3 .810 1. ,00 0. 00 ATOMO 96 OE1 GLN A 8 -7 .809 2 .247 3 .202 1. ,00 0. 00 ATOMO 97 NE2 GLN A 8 -8 .464 0 .938 4 .904 1. ,00 0. 00 ATOMO 98 H GLN A 8 -5 .605 0 .582 0 .444 1. ,00 0. 00 ATOMO 99 HA GLN A 8 -5 .663 2 .550 2 .624 1. ,00 0. 00 ATOMO 100 1HB GLN A 8 -4 .818 -0 .340 2 .842 1. 00 0. 00 ATOMO 101 2HB GLN A 8 -5 .035 0 .803 4 .158 1. ,00 0. 00 ATOMO 102 1HG GLN A 8 -7 .201 -0 .290 2 .378 1. ,00 0. 00 ATOMO 103 2HG GLN A 8 -6 .888 -0 .747 4 .052 1. ,00 0. 00 ATOMO 104 1HE2 GLN A 8 -8 .368 0 .065 5 .337 1. ,00 0. 00 ATOMO 105 2HE2 GLN A 8 -9 .059 1 .646 5 .234 1. ,00 0. 00 ATOMO 106 N PRO A 9 -3 .077 2 .680 2 .907 1. ,00 0. 00 ATOMO 107 CA PRO A 9 -1 .656 3 .005 2 .783 1. ,00 0. 00 ATOMO 108 C PRO A 9 -0 .750 1 .787 2 .893 1. 00 0. 00 ATOMO 109 O PRO A 9 -0 .986 0 .886 3 .698 1. 00 0. 00 ATOMO 110 CB PRO A 9 -1 .390 3 .966 3 .940 1. 00 0. 00 ATOMO 111 CG PRO A 9 -2 .49.0 3 .723 4 .916 1. 00 0. 00 ATOMO 112 CD PRO A 9 -3 .679 3 .279 4 .113 1. 00 0. 00 ATOMO 113 HA PRO A 9 -1 .455 3 .507 1 .851 1. 00 0. 00 ATOMO 114- 1HB PRO A 9 -0 .423 3 .752 4 .374 1. 00 0. 00 ATOMO 115 2HB PRO A 9 -1 .403 4 .977 3 .568 1. 00 0. 00 ATOMO 116 1HG PRO A 9 -2 .200 2 .949 5 .610 1. 00 0. 00 ATOMO 117 2HG PRO A 9 -2 .720 4 .633 5 .445 1. 00 0. 00 ATOMO 118 1HD PRO A 9 -4 .250 2 .548 4 .664 1. 00 0. 00 ATOMO 119 2HD PRO A 9 -4 .299 4 .124 3 .854 1. 00 0. 00 ATOMO 120 N CYS A 10 0 .297 1 .786 2 .081 1. 00 0. 00 ATOMO 121 CA CYS A 10 1 .267 0 .701 2 .073 1. 00 0. 00 ATOMO 122 C CYS A 10 2 .687 1 .250 2 .144 1. 00 0. 00 ATOMO 123 O CYS A 10 2 .894 2 .460 2. .235 1. 00 0. 00 ATOMO 124 CB CYS A 10 1 .103 -0 .154 0 .816 1. 00 0. 00 ATOMO 125 SG CYS A 10 0 .952 0 .807 -0 .724 1. 00 0. 00 ATOMO 126 H CYS A 10 0 .421 2 .543 1, .474 1. 00 0. 00 ATOMO 127 HA CYS A 10 1 .086 0 .087 2, .942 1. 00 0. 00 ATOMO 128 1HB CYS A 10 1 .960 -0 .802 0, .714 1. 00 0. 00 ATOMO 129 2HB CYS A 10 0 .216 -0 .757 0, .917 1. 00 0. 00 ATOMO 130 N SER A 11 3 .660 0 .351 2, .100 1. 00 0. 00 ATOMO 131 CA SER A 11 5 .064 0 .736 2. .157 1. 00 0. 00 ATOMO 132 C SER A 11 5 .910 -0 .160 1. .257 1. 00 0. 00 ATOMO 133 0 SER A 11 5 .488 -1 .252 0. .879 1. 00 0. 00 ATOMO 134 CB SER A 11 5 .578 0 .663 3. .596 1. 00 0. 00 ATOMO 135 OG SER A 11 6, .568 1 .650 3. .835 1. 00 0. 00 ATOMO 136 H SER A 11 3.426 -0.,595 2.027 1.00 0.00 H ATOMO 137 HA SER A 11 5.142 1. ,754 1 .806 1.00 0.00 H ATOMO ' 138 1HB SER A 11 4.756 0. .824 4 .278 1.00 0.00 H ATOMO 139 2HB SER A 11 6.008 -0. ,311 3 .774 1.00 0.00 H ATOMO 140 HG SER A 11 6.147 2. ,504 3 .958 1.00 0.00 H ATOMO 141 N LEU A 12 7.105 0. ,311 0 .918 1.00 0.00 N ATOMO 142 CA LEU A 12 8.011 -0. ,450 0 .060 1.00 0.00 C ATOMO 143 C LEU A 12 8.722 -1. ,564 0 .832 1.00 0.00 C ATOMO 144 0 LEU A 12 9.302 -2. ,466 0 .228 1.00 0.00 0 ATOMO 145 CB LEU A 12 9.046 0, ,475 -0 .592 1.00 0.00 C ATOMO 146 CG LEU A 12 9.648 1. ,550 0 .319 1.00 0.00 C ATOMO 147 CD1 LEU A 12 10.180 0. .934 1 .604 1.00 0.00 c ATOMO 148 CD2 LEU A 12 10.752 2. ,297 -0 .409 1.00 0.00 c ATOMO 149 H LEU A 12 7.383 1. .188 1 .251 1.00 0.00 H ATOMO 150 HA LEU A 12 7.415 -0. ,901 -0 .718 1.00 0.00 H ATOMO 151 1HB LEU A 12 9.852 -0. ,136 -0 .969 1.00 0.00 H ATOMO 152 2HB LEU A 12 8.574 0. .970 -1 .428 1.00 0.00 H ATOMO 153 HG LEU A 12 8.882 2. ,263 0 .582 1.00 0.00 H ATOMO 154 1HD1 LEU A 12 10.937 1. ,579 2 .025 1.00 0.00 H ATOMO 155 2HD1 LEU A 12 10.610 -0. ,032 1 .390 1.00 0.00 H ATOMO 156 3HD1 LEU A 12 9.371 0. ,821 2 .310 1.00 0.00 H ATOMO 157 1HD2 LEU A 12 11.419 1. .588 -0 .877 1.00 0.00 H ATOMO 158 2HD2 LEU A 12 11.305 2. ,899 0 .297 1.00 0.00 H ATOMO 159 3HD2 LEU A 12 10.317 2. 935 -1 .164 1.00 0.00 H ATOMO 160 N ASN A 13 8.680 -1. 505 2 .163 1.00 0.00 N ATOMO 161 CA ASN A 13 9.325 -2. 516 2 .992 1.00 0.00 c ATOMO 162 C ASN A 13 8.302 -3. 425 3 .678 1.00 0.00 c ATOMO 163 O ASN A 13 8.658 -4. 206 4 .561 1.00 0.00 o ATOMO 164 CB ASN A 13 10.213 -1. 849 4 .044 1.00 0.00 c ATOMO 165 CG ASN A 13 11.573 -1. 466 3 .495 1.00 0.00 c ATOMO 166 OD1 ASN A 13 12.265 -2. 287 2 .891 1.00 0.00 o ATOMO 167 ND2 ASN A 13 11.964 -0. 214 3 .702 1.00 0.00 N ATOMO 168 H ASN A 13 8.207 -0. 770 2 .600 1.00 0.00 H ATOMO 169 HA ASN A 13 9.944 -3. 120 2 .348 1.00 0.00 H ATOMO 170 1HB ASN A 13 9.726 -0. 955 4, .402 1.00 0.00 H ATOMO 171 2HB ASN A 13 10.356 -2. 530 4, .869 1.00 0.00 H ATOMO . 172 1HD2 ASN A 13 11.361 0. 384 4. .191 1.00 0.00 H ATOMO 173 2HD2 ASN A 13 12.839 0. 060 3, .357 1.00 0.00 H ATOMO 174 N THR A 14 7.032 -3. 327 3. .278 1.00 0.00 N ATOMO 175 CA THR A 14 5.985 -4. 148 3, .869 1.00 0.00 c ATOMO 176 C THR A 14 5.454 -5. 161 2 .861 1.00 0.00 c ATOMO 177 O THR A 14 5.962 -5. 265 1 , .743 1.00 0.00 o ATOMO 178 CB THR A 14 4.842 -3. 266 4, .375 1.00 0.00 c ATOMO 179 OG1 THR A 14 4.245 -2. 556 3, .304 1.00 0.00 0 ATOMO 180 CG2 THR A 14 5.281 -2. 253 5. .409 1.00 0.00 c ATOMO 181 H THR A 14 6.794 -2. 694 2. .573 1.00 0.00 H ATOMO 182 HA THR A 14 6.413 -4. 680 4. .705 1.00 0.00 H ATOMO 183 HB THR A 14 4.088 -3. 895 4. .827 1.00 0.00 H ATOMO 184 HG1 THR A 14 3.408 -2. 185 3. .594 1.00 0.00 H ATOMO 185 1HG2 THR A 14 4.886 -2. 531 6, .376 1.00 0.00 H ATOMO 186 2HG2 THR A 14 4.910 -1. 276 5, .137 1.00 0.00 H ATOMO 187 3HG2 THR A 14 6.360 -2. 229 5, ,455 1.00 0.00 H ATOMO 188 N GLN A 15 4.430 -5. 904 3. ,263 1.00 0.00 N ATOMO 189 CA GLN A 15 3.826 -6. 910 2, ,400 1.00 0.00 c ATOMO 190 C GLN A 15 3.072 -6. 253 1. ,242 1.00 0.00 c ATOMO 191 O GLN A 15 2.645 -5. 103 1. ,349 1.00 0.00 0 ATOMO 192 CB GLN A 15 2.874 -7. 788 3. ,212 1.00 0.00 c ATOMO 193 CG GLN A 15 3.507 -8.377 4.462 1.00 0.00 c ATOMO 194 CD GLN A 15 4 .751 -9 .188 4 .158 1 .00 0 .00 c ATOMO 195 OEl GLN A 15 4 .968 -9 .613 3 .024 1 .00 0 .00 0 ATOMO 196 NE2 GLN A 15 5 .578 -9 .406 5 .174 1 .00 0 .00 N ATOMO 197 H GLN A 15 4 .070 -5 .775 4 .163 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4 .618 -7 .524 1 .999 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 2 .023 -7, .194 3 .512 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2 .534 -8 .599 2 .591 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 3 .776 -7 .571 5 .129 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2 .786 -9 .018 4 .947 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 5 .342 -9 .037 6 .051 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 .392 -9 .928 5 .006 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .892 -6 .972 0 .113 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .180 -6 .435 -1 .051 1 .00 0 .00 c ATOMO 207 C PRO A 16 0 .725 -6 .114 -0 .731 1 .00 0 .00 c ATOMO 208 o PRO A 16 0 .272 -6 .313 0 .395 1 .00 0 .00 0 ATOMO 209 CB PRO A 16 2 .266 -7, .561 -2 .087 1 .00 0 .00 c ATOMO 210 CG PRO A 16 2 .540 -8 .794 -1 .297 1 .00 0 .00 c ATOMO 211 CD PRO A 16 3 .358 -8, .354 -0 .118 1 .00 0 .00 c ATOMO 212 HA PRO A 16 2 .665 -5, .549 -1 .436 1 .00 0 .00 H ATOMO 213 1HB PRO A 16 1 .329 -7, .634 -2 .622 1 .00 0 .00 H ATOMO 214 2HB PRO A 16 3 .067 -7, .354 -2 .782 1 .00 0 .00 H ATOMO 215 1HG PRO A 16 1. .610 -9. .233 -0 .967 1 .00 0 .00 H ATOMO 216 2HG PRO A 16 3, .097 -9. .499 -1 .896 1 .00 0 .00 H ATOMO 217 1HD PRO A 16 3, .152 -8. .980 0 .738 1 .00 0 .00 H ATOMO 218 2HD PRO A 16 4, .409 -8. .372 -0 .358 1 .00 0 .00 H ATOMO 219 N CYS A 17 -0. .005 -5. .616 -1 .724 1 .00 0 .00 N ATOMO 220 CA CYS A 17 -1, ,407 -5. .269 -1 .536 1 .00 0 .00 c ATOMO 221 C CYS A 17 -2, .307 -6. .484 -1 .736 1 .00 0 .00 c ATOMO 222 0 CYS A 17 -1. .842 -7. .573 -2 .072 1 .00 0 .00 0 ATOMO 223 CB CYS A 17 -1. .818 -4. ,150 -2 .496 1 .00 0 .00 c ATOMO 224 SG CYS A 17 -0. .779 -2. ,656 -2 .389 1, .00 0 .00 S ATOMO 225 H CYS A 17 0. .408 -5. ,477 -2, .601 1, .00 0 .00 H ATOMO 226 HA CYS A 17 -1. .526 -4. ,917 -0, .523 1, .00 0 .00 H ATOMO 227 1HB CYS A 17 -1. .764 -4. 516 -3. .509 1. .00 0 .00 H ATOMO 228 2HB CYS A 17 -2. ,834 -3. 857 -2. ,276 1. ,00 0 .00 H ATOMO 229 N CYS A 18 -3. ,598 -6. 279 -1. .515 1. .00 0 .00 N ATOMO 230 CA CYS A 18 -4. ,589 -7. 338 -1. ,653 1. .00 0 .00 c ATOMO 231 C CYS A 18 -5. ,378 -7. 173 -2. , 947 1. .00 0, .00 c ATOMO 232 o CYS A 18 -5. ,320 -6. 128 -3. ,593 1. .00 0, .00 0 ATOMO 233 CB CYS A 18 -5. 542 -7. 320 -0. .456 1. .00 0. .00 c ATOMO 234 SG CYS A 18 -4. 710 -7. 391 1. .164 1. .00 0. .00 S ATOMO 235 H CYS A 18 -3. 893 -5. 387 -1. .244 1, ,00 0. .00 H ATOMO 236 HA CYS A 18 -4. 068 -8. 284 -1. .677 1, ,00 0, .00 H ATOMO 237 1HB CYS A 18 -6. 122 -6. 410 -0. .484 1. .00 0. .00 H ATOMO 238 2HB CYS A 18 -6. 209 -8. 165 -0. .521 1. ,00 0, .00 H ATOMO 239 N ASP A 19 -6. 116 -8. 212 -3. ,322 1. ,00 0. .00 N ATOMO 240 CA ASP A 19 -6. 921 -8. 184 -4. ,543 1. ,00 0, .00 c ATOMO 241 C ASP A 19 -6. 066 -7. 829 -5. 756 1. ,00 0, ,00 c ATOMO 242 0 ASP A 19 -6. 546 -7. 213 -6. ,709 1. ,00 0. .00 0 ATOMO 243 CB ASP A 19 -8. 065 -7. 178 -4. ,399 1. 00 0. ,00 c ATOMO 244 CG ASP A 19 -9. 067 -7. 591 -3. 338 1. 00 0. ,00 c ATOMO 245 ODl ASP A 19 -9. 588 -6. 700 -2. ,634 1. ,00 0. ,00 0 ATOMO 246 0D2 ASP A 19 -9. 332 -8. 805 -3. 210 1. ,00 0, ,00 0 ATOMO 247 H ASP A 19 -6. 121 -9. 017 -2. 765 1. 00 0. 00 H ATOMO 248 HA ASP A 19 -7. 337 -9. 170 -4. 686 1. 00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 659 -6. 216 -4. 128 1. 00 0. ,00 H ATOMO 250 2HB ASP A 19 -8.582 -7.094 -5.343 1.00 0.00 H ATOMO 251 N ASP A 20 -4, .796 -8. 219 -5. 711 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3 .865 -7. 944 -6. 801 1 .00 0. 00 C ATOMO 253 C ASP A 20 -3 .637 -6. 444 -6. 959 1 .00 0. 00 c ATOMO 254 0 ASP A 20 -3 .493 -5. 943 -8. 074 1 .00 0. 00 o ATOMO 255 CB ASP A 20 - .380 -8. 540 -8. 114 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -4 .855 -9. 971 -7. 955 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -5 .968 -10. 171 -7. 424 1 .00 0. 00 0 ATOMO 258 OD2 ASP A 20 -4 .116 -10. 890 -8. 362 1 .00 0. 00 0 ATOMO 259 H ASP A 20 -4 .475 -8. 704 -4. 924 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2 .924 -8. 410 -6. 551 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -5 .206 -7. 944 -8. 473 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -3 .585 -8. 522 -8. 844 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3 .600 -5. 735 -5. 836 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3 .382 -4. 292 -5. 854 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1 .899 -3. 968 -5. 980 1 .00 0. 00 c ATOMO 266 0 ALA A 21 -1 .050 -4. 859 -5. 931 1 .00 0. 00 o ATOMO 267 CB ALA A 21 -3 .955 -3. 648 -4. 599 1. .00 0. 00 c ATOMO 268 H ALA A 21 -3 .717 -6. 192 -4. 977 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .903 -3. 886 -6. 708 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .973 -4. 373 -3. 800 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .958 -3. 302 -4. 796 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .336 -2. 810 -4. 308 1 .00 0. 00 H ATOMO 273 N THR A 22 -1 .593 -2. 686 -6. 139 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0 .215 -2. 241 -6. 270 1 .00 0. 00 c ATOMO 275 C THR A 22 0 .036 -1. 005 -5. 415 1 .00 0. 00 c ATOMO 276 O THR A 22 -0 .807 -0. 110 -5. 335 1 .00 0. 00 o ATOMO 277 CB THR A 22 0 .104 -1. 936 -7. 734 1 .00 0. 00 c ATOMO 278 OGl THR A 22 -0 .128 -3. 074 -8. 546 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .534 -1. 498 -7. 955 1 .00 0. 00 c ATOMO 280 H THR A 22 -2 .313 -2. 023 -6. 170 1 .00 0. 00 H ATOMO 281 HA THR A 22 0 .426 -3. 040 -5. 928 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0 .542 -1. 140 -8. 074 1 .00 0. 00 H ATOMO 283 HG1 THR A 22 -0 .191 -2. 805 -9. 465 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .555 -0. 442 -8. 179 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 1 .955 -2. 050 -8. 782 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 2 .110 -1. 689 -7. 063 1 .00 0. 00 H ATOMO 287 N CYS A 23 1 .204 -0. 958 -4. 783 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1 .571 0. 173 -3. 942 1 .00 0. 00 c ATOMO 289 C CYS A 23 2 .018 1. 338 -4. 822 1 .00 0. 00 c ATOMO 290 O CYS A 23 3 .046 1. 258 -5. 494 1 .00 0. 00 0 ATOMO 291 CB CYS A 23 2 .690 -0. 236 -2. 979 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2 .829 0. 815 -1. 498 1 .00 0. 00 s ATOMO 293 H CYS A 23 1 .836 -1. 699 -4. 891 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0 .700 0. 471 -3. 376 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2 .514 -1. 247 -2. 646 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3 .634 -0. 194 -3. 502 1 .00 0. 00 H ATOMO 297 N THR A 24 1 .227 2. 409 -4. 837 1 .00 0. 00 N ATOMO 298 CA THR A 24 1 .530 3. 570 -5. 663 1 .00 0. 00 c ATOMO 299 C THR A 24 1 .716 4. 832 -4. 826 1 .00 0. 00 c ATOMO 300 O THR A 24 1 .196 4. 953 -3. 717 1 .00 0. 00 o ATOMO 301 CB THR A 24 0 .408 3. 781 -6. 690 1 .00 0. 00 c ATOMO 302 OGl THR A 24 0 .384 2. 720 -7. 627 1 .00 0. 00 o ATOMO 303 CG2 THR A 24 0 .527 5. 077 -7. 471 1 .00 0. 00 c ATOMO 304 H THR A 24 0 .411 2. 411 -4. 301 1 .00 0. 00 H ATOMO 305 HA THR A 24 2 .448 3. 368 -6. 192 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0 .540 3. 795 -6. 172 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 -0.332 2.118 -7.412 1.00 0.00 H ATOMO 308 1HG2 THR A 24 0. 435 5. 913 -6 .792 1 .00 0 .00 H ATOMO 309 2HG2 THR A 24 -0. 258 5. 126 -8 .210 1.00 0 .00 H ATOMO 310 3HG2 THR A 24 1. 489 5. 116 -7 .960 1 .00 0 .00 H ATOMO 311 N GLN A 25 2. 452 5. 776 -5 .400 1 .00 0 .00 N ATOMO 312 CA GLN A 25 2. 716 7. 056 -4 .770 1 .00 0 .00 C ATOMO 313 C GLN A 25 1. 484 7. 956 -4 .876 1 .00 0 .00 C ATOMO 314 0 GLN A 25 0. 915 8. 121 -5 .955 1 .00 0 .00 0 ATOMO 315 CB GLN A 25 3. 928 7. 715 -5 .443 1 .00 0 .00 C ATOMO 316 CG GLN A 25 4. 156 9. 160 -5 .038 1 .00 0 .00 C ATOMO 317 CD GLN A 25 5. 487 9. 701 -5 .523 1 .00 0 .00 c ATOMO 318 0E1 GLN A 25 6. 478 8. 973 -5 .592 1 .00 0 .00 0 ATOMO 319 NE2 GLN A 25 5. 517 10. 984 -5 .862 1 .00 0 .00 N ATOMO 320 H GLN A 25 2. ,815 5. 609 -6 .292 1 .00 0 .00 H ATOMO 321 HA GLN A 25 2. .939 6. 883 -3 .728 1 .00 0 .00 H ATOMO 322 1HB GLN A 25 4, 814 7. 152 -5 .188 1 .00 0 .00 H ATOMO 323 2HB GLN A 25 3. 790 7. 682 -6 .513 1 .00 0 .00 H ATOMO 324 1HG GLN A 25 3. 364 9. 762 -5 .458 1 .00 0 .00 H ATOMO 325 2HG GLN ? 25 4. 124 9. 226 -3 .962 1 .00 0 .00 H ATOMO 326 1HE2 GLN A 25 4. 690 11. 503 -5 .781 1 .00 0 .00 fl ATOMO 327 2HE2 GLN A 25 6. 365 11. 359 -6 .180 1 .00 0 .00 H ATOMO 328 N GLU A 26 1. 082 8. 533 -3 .752 1 .00 0 .00 N ATOMO 329 CA GLÜ A 26 -0. 078 9. 414 -3 .715 1 .00 0 .00 c ATOMO 330 C GLU A 26 0. 144 10. 565 -2 .742 1 .00 0 .00 c ATOMO 331 O GLÜ A 26 1. 211 10. 685 -2 .137 1 .00 0 .00 0 ATOMO 332 CB GLU A 26 -1. 329 8. 630 -3 .318 1 .00 0.00 c ATOMO 333 CG GLU A 26 -1. 605 7. 433 -4 .212 1 .00 0 .00 c ATOMO 334 CD GLU A 26 -2. 926 6. 760 -3 .896 1 .00 0 .00 c ATOMO 335 OE1 GLU A 26 -3. 054 5. 547 -4 .165 1 .00 0 .00 o ATOMO 336 OE2 GLU A 26 -3. 832 7. 446 -3 .378 1 .00 0 .00 0 ATOMO 337 H GLU A 26 1. 579 8. 360 -2 .925 1 .00 0 .00 H ATOMO 338 HA GLU A 26 -0. 218 9. 818 -4 .706 1 .00 0 .00 H ATOMO 339 1HB GLU A 26 -1. 212 8. 277 -2 .304 1 .00 0 .00 H ATOMO 340 2HB GLÜ A 26 -2. 182 9. 289 -3 .363 1 .00 0 .00 H ATOMO 341 1HG GLU A 26 -1. 625 7. 765 -5 .239 1 .00 0 .00 H ATOMO 342 2HG GLU A 26 -0. 810 6. 713 -4 .084 1 .00 0 .00 H ATOMO 343 N ARG A 27 -0. 870 11. 411 -2 .596 1 .00 0 .00 N ATOMO 344 CA ARG A 27 -0. 790 12. 555 -1 .698 1 .00 0 .00 c ATOMO 345 C ARG A 27 -1. 749 12. 393 -0 .524 1 .00 0 .00 c ATOMO 346 O ARG A 27 -2. 820 11. 800 -0 .662 1 .00 0 .00 o ATOMO 347 CB ARG A 27 -1. 111 13. 843 -2 .457 1 .00 0 .00 c ATOMO 348 CG ARG A 27 -0. 011 14. 280 -3 .409 1 .00 0 .00 c ATOMO 349 CD ARG A 27 -0. 141 15. 750 -3 .772 1 .00 0 .00 c ATOMO 350 NE ARG A 27 -0. 995 15. 950 -4 .942 1 .00 0 .00 N ATOMO 351 CZ ARG A 27 -1. 032 17. 075 -5 .657 1 .00 0 .00 c ATOMO 352 NH1 ARG A 27 -0. 268 18. 112 -5 .328 1 .00 0 .00 N ATOMO 353 NH2 ARG A 27 -1. 839 17. 165 -6 .705 1 .00 0 .00 N ATOMO 354 H ARG A 27 -1. 691 11. 261 -3 .108 1 .00 0 .00 H ATOMO 355 HA ARG A 27 0. 219 12. 613 -1 .320 1 .00 0 .00 H ATOMO 356 1HB ARG A 27 -2. 014 13. 695 -3 .030 1 .00 0 .00 H ATOMO 357 2HB ARG A 27 -1. 276 14. 635 -1 .743 1 .00 0 .00 H ATOMO 358 1HG ARG A 27 0. 946 14. 120 -2 .935 1 .00 0 .00 H ATOMO 359 2HG ARG A 27 -0. 071 13. 688 -4 .310 1 .00 0 .00 H ATOMO 360 1HD ARG A 27 -0. 566 16. 280 -2 .933 1 .00 0 .00 H ATOMO 361 2HD ARG A 27 0. 843 16. 144 -3 .985 1 .00 0 .00 H ATOMO 362 HE ARG A 27 -1. 573 15. 206 -5 .211 1 .00 0 .00 H ATOMO 363 1HH1 ARG A 27 0. 343 18. 055 -4 .539 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 -0.305 18.950 -5.872 1.00 0.00 H ATOMO 365 1HH2 ARG A 27 -2.418 16 .389 -6 .958 1 .00 0.00 H ATOMO 366 2HH2 ARG A 27 -1.869 18 .007 -7 .243 1 .00 0.00 H ATOMO 367 N ASN A 28 -1.360 12 .924 0 .631 1 .00 0.00 N ATOMO 368 CA ASN A 28 -2.187 12 .838 1 .828 1 .00 0.00 c ATOMO 369 C ASN A 28 -2.839 14 .182 2 .137 1 .00 0.00 c ATOMO 370 0 ASN A 28 -2.739 15 .127 1 .352 1 .00 0.00 0 ATOMO 371 CB ASN A 28 -1.347 12 .370 3 .020 1 .00 0.00 c ATOMO 372 CG ASN A 28 -0.258 13 .358 3 .388 1 .00 0.00 c ATOMO 373 OD1 ASN A 28 0.007 14 .308 2 .652 1 .00 0.00 0 ATOMO 374 ND2 ASN A 28 0.381 13 .138 4 .531 1 .00 0.00 N ATOMO 375 H ASN A 28 -0.496 13 .385 0 .678 1 .00 0.00 H ATOMO 376 HA ASN A 28 -2.964 12 .111 1 .641 1 .00 0.00 H ATOMO 377 1HB ASN A 28 -1.990 12 .237 3 .877 1 .00 0.00 H ATOMO 378 2HB ASN A 28 -0.882 11 .428 2 .775 1 .00 o.oó H ATOMO 379 1HD2 ASN A 28 0.117 12 .361 5 .066 1 .00 0.00 H ATOMO 380 2HD2 ASN A 28 1.090 13 .762 4 .793 1 .00 0.00 H ATOMO 381 N GLU A 29 -3.505 14 .263 3 .283 1 .00 0.00 N ATOMO 382 CA GLU A 29 -4.174 15 .492 3 .695 1 .00 0.00 c ATOMO 383 C GLU A 29 -3.160 16 .598 3 .977 1 .00 0.00 c ATOMO 384 O GLU A 29 -3.451 17 .780 3 .793 1 .00 0.00 0 ATOMO 385 CB GLU A 29 -5.028 15 .241 4 .938 1 .00 0.00 c ATOMO 386 CG GLU A 29 -6.423 14 .727 4 .623 1 .00 0.00 c ATOMO 387 CD GLU A 29 -7.417 15 .023 5 .729 1 .00 0.00 c ATOMO 388 OE1 GLU A 29 -7.276 14 .440 6 .824 1 .00 0.00 o ATOMO 389 OE2 GLU A 29 -8.334 15 .839 5 .500 1 .00 0.00 0 ATOMO 390 H GLU A 29 -3.550 13 .478 3 .867 1 .00 0.00 H ATOMO 391 HA GLU A 29 -4.815 15 .807 2 .886 1 .00 0.00 H ATOMO 392 1HB GLU A 29 -4.532 14 .511 5 .560 1 .00 0.00 H ATOMO 393 2HB GLU A 29 -5.123 16 .164 5 .488 1 .00 0.00 H ATOMO 394 1HG GLU A 29 -6.769 15 .196 3 .714 1, .00 0.00 H ATOMO 395 2HG GLU A 29 -6.376 13 .657 4 .478 1, .00 0.00 H ATOMO 396 N ASN A 30 -1.972 16 .207 4 .426 1, .00 0.00 N ATOMO 397 CA ASN A 30 -0.918 17 .168 4 .734 1, .00 0.00 c ATOMO 398 C ASN A 30 -0.267 17 .698 3 .459 1. .00 0.00 c ATOMO 399 0 ASN A 30 0.216 18 .829 3 .423 1. .00 0.00 o ATOMO 400 CB ASN A 30 0.139 16 .526 5 .633 1. .00 0.00 c ATOMO 401 CG ASN A 30 -0.433 16, .054 6, .956 1. .00 0.00 c ATOMO 402 OD1 ASN A 30 -0.526 14, .855 7, .212 1. .00 0.00 0 ATOMO 403 ND2 ASN A 30 -0.822 17, .001 7, .803 1. .00 0.00 N ATOMO 404 H ASN A 30 -1.798 15, .251 4 .554 1, .00 0.00 H ATOMO 405 HA ASN A 30 -1.370 17, .995 5, .262 1. .00 0.00 H ATOMO 406 1HB ASN A 30 0.567 15. .675 5, .124 1. .00 0.00 H ATOMO 407 2HB ASN A 30 0.917 17, .248 5. .835 1. ,00 0.00 H ATOMO 408 1HD2 ASN A 30 -0.718 17, .937 7. .531 1. ,00 0.00 H ATOMO 409 2HD2 ASN A 30 -1.196 16, .724 8. .666 1. ,00 0.00 H ATOMO 410 N GLY A 31 -0.257 16, .874 2, .415 1. ,00 0.00 N ATOMO 411 CA GLY A 31 0.339 17. .283 1. .155 1. ,00 0.00 c ATOMO 412 C GLY A 31 1.676 16. .612 0. .873 1. ,00 0.00 c ATOMO 413 0 GLY A 31 2.316 16. .905 -0. .137 1. 00 0.00 0 ATOMO 414 H GLY A 31 -0.656 15. .982 2. .500 1. 00 0.00 H ATOMO 415 IRA GLY A 31 -0.343 17. ,039 0. .355 1. 00 0.00 H ATOMO 416 2HA GLY A 31 0.485 18. .353 1. .171 1. 00 0.00 H ATOMO 417 N HIS A 32 2.105 15. ,711 1. ,757 1. 00 0.00 N ATOMO 418 CA HIS A 32 3.370 15. ,009 1. 576 1. 00 0.00 c ATOMO 419 C HIS A 32 3.168 13. 733 0. 766 1. 00 0.00 c ATOMO 420 o HIS A 32 2.063 13. ,194 0. 708 1. 00 0.00 o ATOMO 421 CB HIS A 32 3.991 14.673 2.933 1.00 0..00 C ATOMO 422 CG HIS A 32 5 .485 14 .581 2 .900 1 .00 0. ,00 C ATOMO 423 ND1 HIS A 32 6 .170 13 .395 3 .059 1 .00 0. ,00 N ATOMO 424 CD2 HIS A 32 6 .428 15 .537 2 .724 1 .00 0. 00 C ATOMO 425 CEl HIS A 32 7 .469 13 .625 2 .983 1 .00 0. ,00 C ATOMO 426 NE2 HIS A 32 7 .652 14 .917 2 .779 1 .00 0. ,00 N ATOMO 427 H HIS A 32 1 .560 15 .508 2 .543 1 .00 0. ,00 H ATOMO 428 HA HIS A 32 4 .038 15 .664 1 .036 1 .00 0. ,00 H ATOMO 429 1HB HIS A 32 3 .722 15 .439 3 .644 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 3 .606 13 .722 3 .272 1 .00 0. ,00 H ATOMO 431 HD1 HIS A 32 5 .764 12 .515 3 .207 1 .00 0. ,00 H ATOMO 432 HD2 HIS A 32 6 .251 16 .592 2 .568 1 .00 0. ,00 H ATOMO 433 HE1 HIS A 32 8 .248 12 .882 3 .070 1 .00 0. ,00 H ATOMO 434 HE2 HIS A 32 8 .521 15 .369 2 .772 1 .00 0. 00 H ATOMO 435 N THR A 33 4 .239 13 .257 0 .140 1 .00 0. ,00 N ATOMO 436 CA THR A 33 4 .168 12 .045 -0 .668 1 .00 0. ,00 C ATOMO 437 C THR A 33 3 .915 10 .821 0 .204 1 .00 0. 00 C ATOMO 438 O THR A 33 4 .550 10 .641 1 .243 1 .00 0. 00 o ATOMO 439 CB THR A 33 5 .460 11 .855 -1 .464 1 .00 0. 00 c ATOMO 440 0G1 THR A 33 5 .735 12 .998 -2 .254 1 .00 0. ,00 0 ATOMO 441 CG2 THR A 33 5 .417 10 .656 -2 .387 1 .00 0. 00 c ATOMO 442 H THR A 33 5 .092 13 .731 0 .221 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .346 12 .156 -1 .357 1 .00 0. 00 H ATOMO .444 HB THR A 33 6 .279 11 .714 -0 .774 1 .00 0. 00 H ATOMO 445 HGl THR A 33 5 .928 13 .745 -1 .682 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .348 10 .113 -2 .318 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 5 .269 10 .989 -3 .403 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 4 .601 10 .008 -2 .100 1 .00 0. 00 H ATOMO 449 N VAL A 34 2 .985 9 .981 -0 .232 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .642 8 .768 0 .498 1 .00 0. 00 c ATOMO 451 C VAL A 34 2 .488 7 .590 -0 .453 1 .00 0. 00 c ATOMO 452 0 VAL A 34 2 .548 7 .751 -1 .671 1 .00 0. 00 0 ATOMO 453 CB VAL A 34 1 .338 8 .941 1 .299 1 .00 0. 00 c ATOMO 454 CGl VAL A 34 1 .563 9 .855 2 .495 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .231 9 .483 0 .408 1 .00 0. 00 c ATOMO 456 H VAL A 34 2 .517 10 .180 -1 .070 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3 .442 8 .554 1 .192 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1 .035 7 .973 1 .668 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 1 .651 10 .877 2 .156 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2 .471 9 .566 3 .003 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 0 .729 9 .770 3 .174 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .275 10 .561 0 .393 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .727 9 .167 0 .794 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0 .358 9 .103 -0 .595 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .294 6 .406 0 .109 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .132 5 .197 -0, .690 1 .00 0. 00 c ATOMO 467 C TYR A 35 0 .832 4, .484 -0, .330 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0 .593 4 .165 0, .835 1 .00 0. 00 o ATOMO 469 CB TYR A 35 3 .322 4. .260 -0 .480 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4 .661 4, .918 -0, .724 1, .00 0. 00 c ATOMO 471 CD1 TYR A 35 4 .965 5, .483 -1, .956 1, .00 0. 00 c ATOMO 472 CD2 TYR A 35 5 .622 4, .973 0. .277 1, .00 0. 00 c ATOMO 473 CEl TYR A 35 6 .188 6. .084 -2. .184 1, .00 0. 00 c ATOMO 474 CE2 TYR A 35 6 .848 5. .573 0. .057 1, .00 0. 00 c ATOMO 475 CZ TYR A 35 7, .127 6. .126 -1. .174 1, .00 0. 00 c ATOMO 476 OH TYR A 35 8 .346 6, .723 -1. .397 1. .00 0. 00 0 ATOMO 477 H TYR A 35 2. .261 6. .343 1, .086 1, .00 0. 00 H ATOMO 478 HA TYR A 35 2.092 5.488 -1.730 1.00 0..00 ATOMO 479 1HB TYR A 35 3 .311 3 .896 0 .535 1 .00 0. ,00 ATOMO 480 2HB TYR A 35 3 .235 3 .425 -1 .158 1 .00 0. ,00 ATOMO 481 HDl TYR A 35 4 .228 5 .450 -2 .746 1 .00 0. ,00 ATOMO 482 HD2 TYR A 35 5 .402 4 .538 1 .241 1 .00 0. .00 ATOMO 483 HEl TYR A 35 6 .406 6 .517 -3 .148 1 .00 0. .00 ATOMO 484 HE2 TYR A 35 7 .583 5 .604 0 .849 1 .00 0. .00 ATOMO 485 HH TYR A 35 8 .360 7 .588 -0 .980 1 .00 0, ,00 ATOMO 486 N TYR A 36 -0 .010 4 .245 -1 .332 1 .00 0. ,00 ATOMO 487 CA TYR A 36 -1 .289 3 .578 -1 .107 1 .00 0. ,00 ATOMO 488 C TYR A 36 -1 .464 2 .374 -2 .025 1 .00 0. ,00 ATOMO 489 O TYR A 36 -0 .715 2 .192 -2 .984 1 .00 0. ,00 ATOMO 490 CB TYR A 36 -2 .442 4 .564 -1 .313 1 .00 0. ,00 ATOMO 491 CG TYR A 36 -2 .888 5 .247 -0 .040 1 .00 0. ,00 ATOMO 492 CDl TYR A 36 -2 .012 6 .044 0 .687 1 .00 0. .00 ATOMO 493 CD2 TYR A 36 -4 .184 5 .096 0 .435 1 .00 0. .00 ATOMO 494 CEl TYR A 36 -2 .416 6 .670 1 .850 1 .00 0. ,00 ATOMO 495 CE2 TYR A 36 -4 .596 5 .719 1 .597 1 .00 0. ,00 ATOMO 496 CZ TYR A 36 -3 .708 6 .505 2 .301 1 .00 0. ,00 ATOMO 497 OH TYR A 36 -4 .114 7 .127 3 .460 1 .00 0. ,00 ATOMO 498 H TYR A 36 0 .229 4 .528 -2 .240 1 .00 0. ,00 ATOMO 499 HA TYR A 36 -1 .305 3 .234 -0 .085 1 .00 0. .00 ATOMO 500 1HB TYR A 36 -2 .132 5 .328 -2 .008 1 .00 0. .00 ATOMO 501 2HB TYR A 36 -3 .292 4 .035 -1 .721 1 .00 0. ,00 ATOMO 502 HDl TYR A 36 -1 .001 6 .172 0 .331 1 .00 0. ,00 ATOMO 503 HD2 TYR A 36 -4 .877 4 .480 -0 .118 1 .00 0. ,00 ATOMO 504 HEl TYR A 36 -1 .720 7 .286 2 .401 1 .00 0. .00 ATOMO 505 HE2 TYR A 36 -5 .608 5 .589 1 .951 1 .00 0. .00 ATOMO 506 HH TYR A 36 -4 .547 7 .956 3 .244 1 .00 0. ,00 ATOMO 507 N CYS A 37 -2 .459 1 .551 -1 .711 1 .00 0. ,00 ATOMO 508 CA CYS A 37 -2 .745 0 .350 -2 .495 1 .00 0. .00 ATOMO 509 C CYS A 37 -3 .915 0 .585 -3 .443 1 .00 0. 00 ATOMO 510 O CYS A 37 -4 .946 1 .129 -3 .052 1 .00 0. 00 ATOMO 511 CB CYS A 37 -3 .061 -0 .826 -1 .567 1 .00 0. 00 ATOMO 512 SG CYS A 37 -1 .586 -1 .612 -0, .846 1 .00 0. 00 ATOMO 513 H CYS A 37 -3 .008 1 .753 -0, .925 1 .00 0. 00 ATOMO 514 HA CYS A 37 -1 .868 0 .112 -3. .077 1 .00 0. 00 ATOMO 515 1HB CYS A 37 -3, .686 -0, .482 -0. .755 1, .00 0. 00 ATOMO 516 2HB CYS A 37 -3, .595 -1 .582 -2, .120 1 .00 0. 00 ATOMO 517 N ARG A 38 -3, .741 0 .170 -4. .694 1, .00 0. 00 ATOMO 518 CA ARG A 38 -4. .775 0, .334 -5. .705 1, .00 0. 00 ATOMO 519 C ARG A 38 -5, .021 -0. .975 -6. .444 1. .00 0. 00 ATOMO 520 0 ARG A 38 -4. .092 -1, .588 -6. .971 1, .00 0. 00 ATOMO 521 CB ARG A 38 -4, .379 1, .426 -6. .698 1, .00 0. 00 ATOMO 522 CG ARG A 38 -4. .182 2, .789 -6. .055 1. .00 0. 00 ATOMO 523 CD ARG A 38 -5. .513 3, .435 -5. .709 1. .00 0. 00 ATOMO 524 NE ARG A 38 -5. .474 4 , .887 -5. .876 1, .00 0. 00 ATOMO 525 CZ ARG A 38 -6. .475 5. .705 -5. .545 1. .00 0. 00 ATOMO 526 NHl ARG A 38 -7. .600 5. .223 -5. ,027 1. .00 0. 00 ATOMO 527 NH2 ARG A 38 -6. .350 7. .011 -5. ,734 1. .00 0. 00 ATOMO 528 H ARG A 38 -2. .894 -0, .255 -4. 943 1. ,00 0. 00 ATOMO 529 HA ARG A 38 -5. ,686 0. .627 -5. 205 1. ,00 0. 00 ATOMO 530 1HB ARG A 38 -3. ,453 1. .142 -7. 178 1. ,00 0. 00 ATOMO 531 2HB ARG A 38 -5. .150 1. .514 -7. 449 1. ,00 0. 00 ATOMO 532 1HG ARG A 38 -3. .605 2. .669 -5. 151 1. 00 0. 00 ATOMO 533 2HG ARG A 38 -3. 649 3. ,428 -6. 744 1. 00 0. 00 ATOMO 534 1HD ARG A 38 -6. .276 3. ,027 -6. 356 1. 00 0. 00 ATOMO 535 2HD ARG A 38 -5.754 3.206 -4.681 1.00 0.00 H ATOMO 536 HE ARG A 38 -4 .658 5. 276 -6 .255 1.00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7 .704 4. 239 -4 .880 1.00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8 .343 5. 845 -4 .782 1.00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5 .507 7. 382 -6 .125 1.00 0. 00 H ATOMO 540 2HH2 ARG A 38 -7 .100 7. 626 -5 .488 1.00 0. 00 H ATOMO 541 N ALA A 39 -6 .277 -1. 398 -6 .478 1.00 0. 00 N ATOMO 542 CA ALA A 39 -6 .649 -2. 636 -7 .152 1.00 0. 00 c ATOMO 543 C ALA A 39 -6 .489 -2. 508 -8 .662 1.00 0. 00 c ATOMO 544 O ALA A 39 -6 .347 -3. ,554 -9 .332 1.00 0. 00 0 ATOMO 545 CB ALA A 39 -8 .078 -3. ,019 -6 .800 1.00 0. 00 c ATOMO 546 OXT ALA A 39 -6 .509 -1. 365 -9 .164 1.00 0. 00 o ATOMO 547 H ALA A 39 -6 .971 -0. 864 -6 .039 1.00 0. 00 H ATOMO 548 HA ALA A 39 -5 .994 -3. 418 -6 .795 1.00 0. 00 H ATOMO 549 1HB ALA A 39 -8 .077 -3. 652 -5 .926 1.00 0. 00 H ATOMO 550 2HB ALA A 39 -8 .523 -3. 550 -7 .630 1.00 0. 00 H ATOMO 551 3HB ALA A 39 -8 .651 -2. 126 -6 .597 1.00 0. 00 H TER 552 ALA A 39 ENDMDL ODELO 12 ATOMO 1 N GLY A 1 -1 .028 -16. ,046 5 .248 1.00 0. 00 N ATOMO 2 CA GLY A 1 -0 .633 -14. 936 4 .338 1.00 0. 00 c ATOMO 3 C GLY A 1 -1 .326 -13. ,631 4 .678 1.00 0. 00 c ATOMO 4 O GLY A 1 -2 .478 -13. 628 5 .112 1.00 0. 00 o ATOMO 5 1H GLY A 1 -0 .261 -16. 745 5 .314 1.00 0. 00 H ATOMO 6 2H GLY A 1 -1 .882 -16. 516 4 .888 1.00 0. 00 H ATOMO 7 3H GLY A 1 -1 .226 -15. ,674 6 .199 1.00 0. 00 H ATOMO 8 IRA GLY A 1 0 .436 -14. 791 4 .407 1.00 0. 00 H ATOMO 9 2HA GLY A 1 -0 .883 -15. 210 3 .324 1.00 0. 00 H ATOMO 10 N SER A 2 -0 .623 -12. 521 4 .481 1.00 0. 00 N ATOMO 11 CA SER A 2 -1 .177 -11. 203 4 .771 1.00 0. 00 c ATOMO 12 C SER A 2 -0 .872 -10. 223 3 .644 1.00 0. 00 c ATOMO 13 O SER A 2 0 .113 -10. 377 2 .922 1.00 0. 00 0 ATOMO 14 CB SER A 2 -0 .619 -10. 670 6 .091 1.00 0. 00 c ATOMO 15 OG SER A 2 0 .742 -10. 299 5 .957 1.00 0. 00 0 ATOMO 16 H SER A 2 0 .291 -12. 588 .134 1.00 0. 00 H ATOMO 17 HA SER A 2 -2 .249 -11. 308 4 .860 1.00 0. 00 H ATOMO 18 1HB SER A 2 -1 .186 -9. 303 6 .396 1.00 0. 00 H ATOMO 19 2HB SER A 2 -0 .698 -11. 436 6 .849 1.00 0. 00 H ATOMO 20 HG SER A 2 0 .928 -9. 550 6 .527 1.00 0. 00 H ATOMO 21 N CYS A 3 -1 .723 -9. 211 3 .501 1.00 0. 00 N ATOMO 22 CA CYS A 3 -1 .545 -8. 201 2 .467 1.00 0. 00 c ATOMO 23 C CYS A 3 -2 .163 -6. 876 2 .899 1.00 0. 00 c ATOMO 24 O CYS A 3 -2 .904 -6. 816 3 .881 1.00 0. 00 o ATOMO 25 CB CYS A 3 -2 .170 -8. 666 1 .148 1.00 0. 00 c ATOMO 26 SG CYS A 3 -3 .953 -9. 035 1 .247 1.00 0. 00 s ATOMO 27 H CYS A 3 -2 .486 -9. 139 4, .110 1.00 0. 00 H ATOMO 28 HA CYS A 3 -0 .484 -8. 059 2, .322 1.00 0. 00 H ATOMO 29 1HB CYS A 3 -2 .038 -7. 893 0, .405 1.00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .666 -9. 563 0, .818 1.00 0. 00 H ATOMO 31 N VAL A 4 -1. .857 -5. 820 2. .157 1.00 0. 00 N ATOMO 32 CA VAL A 4 -2 .380 -4. 499 2. .454 1.00 0. 00 c ATOMO 33 C VAL A 4 -3, .721 -4. 278 1. .748 1.00 0. 00 c ATOMO 34 0 VAL A 4 -3, ,835 -4. 526 0, .553 1.00 0. 00 0 ATOMO 35 CB VAL A 4 -1. .381 -3. 416 2. .010 1.00 0. 00 c ATOMO 36 CG1 VAL A 4 -1. .923 -2. 021 2. ,281 1.00 0. 00 c ATOMO 37 CG2 VAL A 4 -0 . .047 -3. 626 2. .707 1.00 0. 00 c ATOMO 38 H VAL A 4 -1.263 -5.932 1.387 1.00 0.00 H ATOMO 39 HA VAL A 4 -2.513 -4. 424 3 .520 1 .00 0 .00 H ATOMO 40 HB VAL A 4 -1.225 -3. 518 0 .947 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1.127 -1. 302 2 .185 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2.330 -1. 983 3 .280 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 -2.702 -1. 797 1 .565 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0.185 -4. 681 2 .726 1 .00 0 .00 H ATOMO 45 2HG2 VAL A 4 -0.109 -3. 254 3 .719 1 .00 0 .00 H ATOMO 46 3HG2 VAL A 4 0.726 -3. 097 2 .172 1 .00 0 .00 H ATOMO 47 N PRO A 5 -4.757 -3. 795 2 .460 1 .00 0 .00 N ATOMO 48 CA PRO A 5 -6.063 -3. 552 1 .849 1 .00 0 .00 C ATOMO 49 C PRO A 5 -6.006 -2. 423 0 .824 1 .00 0 .00 c ATOMO 50 O PRO A 5 -5.389 -1. 378 1 .061 1 .00 0 .00 0 ATOMO 51 CB PRO A 5 -6.966 -3. 160 3 .029 1 .00 0 .00 c ATOMO 52 CG PRO A 5 -6.200 -3. 519 4 .259 1 .00 0 .00 c ATOMO 53 CD PRO A 5 -4.749 -3. 440 3 .888 1 .00 0 .00 c ATOMO 54 HA PRO A 5 -6.449 -4. 446 1 .374 1 .00 0 .00 H ATOMO 55 1HB PRO A 5 -7.173 -2. 101 2 .989 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 -7.893 -3. 712 2 .969 1 .00 0 .00 H ATOMO 57 1HG PRO A 5 -6.424 -2. 815 5 .048 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 -6.454 -4. 522 4 .568 1 .00 0 .00 H ATOMO 59 1HD PRO A. 5 -4.373 -2. 438 4 .036 1 .00 0 .00 H ATOMO 60 2HD PRO A 5 -4.174 -4. 149 4 .461 1 .00 0 .00 H ATOMO 61 N VAL A 6 -6.660 -2. 625 -0 .314 1 .00 0 .00 N ATOMO 62 CA VAL A 6 -6.684 -1. 620 -1 .358 1 .00 0 .00 c ATOMO 63 C VAL A 6 -7.271 -0. 328 -0 .820 1 .00 0 .00 c ATOMO 64 O VAL A 6 -8.090 -0. 344 0 .098 1 .00 0 .00 o ATOMO 65 CB VAL A 6 -7.478 -2. 103 -2 .587 1 .00 0 .00 c ATOMO 66 CG1 VAL A 6 -7.531 -1. 032 -3 .664 1 .00 0 .00 c ATOMO 67 CG2 VAL A 6 -6.852 -3. 374 -3 .132 1 .00 0 .00 c ATOMO 68 H VAL A 6 -7.146 -3. 460 -0 .451 1 .00 0 .00 H ATOMO 69 HA VAL A 6 -5.663 -1. 436 -1 .663 1 .00 0 .00 H ATOMO 70 HB VAL A 6 -8.486 -2. 326 -2 .277 1 .00 0 .00 H ATOMO 71 1HG1 VAL A 6 -7.916 -0. 117 -3 .240 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -8.178 -1. 360 -4 .464 1 .00 0 .00 H ATOMO 73 3HG1 VAL A 6 -6.537 -0. 862 -4 .050 1 .00 0 .00 H ATOMO 74 1HG2 VAL A 6 -5.799 -3. 385 -2 .889 1 .00 0 .00 H ATOMO 75 2HG2 VAL A 6 -6.975 -3. 404 -4 .203 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7.332 -4. 230 -2 .687 1 .00 0 .00 H ATOMO 77 N ASP A 7 -6.811 0. 787 -1 .371 1 .00 0 .00 N ATOMO 78 CA ASP A 7 -7.242 2. 102 -0 .939 1 .00 0 .00 c ATOMO 79 C ASP A 7 -6.613 2. 465 0 .409 1 .00 0 .00 c ATOMO 80 0 ASP A 7 -6.924 3. 513 0 .975 1 .00 0 .00 o ATOMO 81 CB ASP A 7 -8.767 2. 185 -0 .858 1 .00 0 .00 c ATOMO 82 CG ASP A 7 -9.441 1. 676 -2 .116 1 .00 0 .00 c ATOMO 83 OD1 ASP A 7 -9.451 2. 413 -3 .125 1 .00 0 .00 o ATOMO 84 OD2 ASP A 7 -9.960 0. 540 -2 .094 1 .00 0 .00 o ATOMO 85 H ASP A 7 -6.143 0. 724 -2 .069 1 .00 0 .00 H ATOMO 86 HA ASP A 7 -6.896 2. 812 -1 .677 1 .00 0. .00 H ATOMO 87 1HB ASP A 7 -9.109 1. 593 -0 .023 1 .00 0, .00 H ATOMO 88 2HB ASP A 7 -9.052. 3. 211 -0 .710 1 .00 0, .00 H ATOMO 89 N GLN A 8 -5.713 1. 609 0 .922 1 .00 0, .00 N ATOMO 90 CA GLN A 8 -5.054 1. 882 2 .187 1 .00 0, .00 c ATOMO 91 C GLN A 8 -3.556 2. 091 1, .975 1 .00 0, .00 c ATOMO 92 0 GLN A 8 -2.990 1. 599 0, .998 1, .00 0. .00 o ATOMO 93 CB GLN A 8 -5.289 0. 745 3, .182 1 .00 0, .00 c ATOMO 94 CG GLN A 8 -6.754 0. 384 3 .357 1 .00 0, .00 c ATOMO 95 CD GLN A 8 -7.577 1.537 3.898 1.00 0.00 c ATOMO 96 OE1 GLN A 8 -8. 440 2 .077 3.206 1.00 0. 00 o ATOMO 97 NE2 GLN A 8 -7. 312 1 .922 5.141 1.00 0. 00 N ATOMO 98 H GLN A 8 -5. 478 0 .785 0.437 1.00 0. 00 H ATOMO 99 HA GLN A 8 -5. 475 2 .791 2.584 1.00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 760 -0 .131 2.839 1.00 0. 00 H ATOMO 101 2HB GLN A 8 -4. 894 1 .038 4.144 1.00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 157 0 .092 2.400 1.00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 826 -0 .444 4.046 1.00 0. 00 H ATOMO 104 1HE2 GLN A 8 -6. 610 1 .447 5.634 1.00 0. 00 H ATOMO 105 2HE2 GLN A 8 -7. 828 2 .665 5.516 1.00 0. 00 H ATOMO 106 N PRO A 9 -2. 891 2 .836 2.876 1.00 0. 00 N ATOMO 107 CA PRO A 9 -1. 458 3 .111 2.755 1.00 0. 00 c ATOMO 108 C PRO A 9 -0. 594 1 .865 2.872 1.00 0. 00 c ATOMO 109 0 PRO A 9 -0. 861 0 .975 3.682 1.00 0. 00 o ATOMO 110 CB PRO A 9 -1. 163 4 .067 3.911 1.00 0. 00 c ATOMO 111 CG PRO A 9 -2. 282 3 .874 4.877 1.00 0. 00 c ATOMO 112 CD PRO A 9 -3. 480 3 .481 4.064 1.00 0. 00 c ATOMO 113 HA PRO A 9 -1. 236 3 .605 1.823 1.00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 211 3 .817 4.356 1.00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 131 5 .076 3.535 1.00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 032 3 .089 5.576 1.00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 476 4 .795 5.404 1.00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 097 2 .787 4.614 1.00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 052 4 .353 3.784 1.00 0. 00 H ATOMO 120 N CYS A 10 0. 453 1 .824 2.061 1.00 0. 00 N ATOMO 121 CA CYS A 10 1. 388 0 .708 2.060 1.00 0. 00 c ATOMO 122 C CYS A 10 2. 825 1 .212 2.132 1.00 0. 00 c ATOMO 123 O CYS A 10 3. 070 2 .415 2.217 1.00 0. 00 0 ATOMO 124 CB CYS A 10 1. 202 -0 .149 0.808 1.00 0. 00 c ATOMO 125 SG CYS A 10 1. 121 0 .804 -0.744 1.00 0. 00 S ATOMO 126 H CYS A 10 0. 603 2 .574 1.451 1.00 0. 00 H ATOMO 127 HA CYS A 10 1. 185 0 .104 2.933 1.00 0. 00 H ATOMO 128 1HB CYS A 10 2. 028 -0 .838 0.724 1.00 0. 00 H ATOMO 129 2HB CYS A 10 0. 284 -0 .707 0.900 1.00 0. 00 H ATOMO 130 N SER A 11 3. 768 0 .280 2.097 1.00 0. 00 N ATOMO 131 CA SER A 11 5. 184 0 .619 2.155 1.00 0. 00 c ATOMO 132 C SER A 11 5. 989 -0 .249 1.193 1.00 0. 00 c ATOMO 133 O SER A 11 5. 537 -1 .318 0.780 1.00 0. 00 o ATOMO 134 CB SER A 11 5. 714 0 .447 3.580 1.00 0. 00 c ATOMO 135 OG SER A 11 5. 625 i .661 4.307 1.00 0. 00 o ATOMO 136 H SER A 11 3. 503 -0 .658 2.028 1.00 0. 00 H ATOMO 137 HA SER A 11 5. 289 1 .653 1.863 1.00 0. 00 H ATOMO 138 1HB SER A 11 5. 131 -0 .305 4.090 1.00 0. 00 H ATOMO 139 2HB SER A 11 6. 747 0 .138 3.544 1.00 0. 00 H ATOMO 140 HG SER A 11 6. 290 2 .275 3.988 1.00 0. 00 H ATOMO 141 N LEU A 12 7. 182 0 .217 0.837 1.00 0. 00 N ATOMO 142 CA LEU A 12 8. 047 -0 .519 -0.080 1.00 0. 00 c ATOMO 143 C LEU A 12 8. 761 -1 .679 0.619 1.00 0. 00 c ATOMO 144 O LEU A 12 9. 298 -2 .568 -0.042 1.00 0. 00 o ATOMO 145 CB LEU A 12 9. 078 0 .415 -0.726 1.00 0. 00 c ATOMO 146 CG LEU A 12 9. 729 1 .439 0.211 1.00 0. 00 c ATOMO 147 CDl LEU A 12 10. 297 0 .758 1.447 1.00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 817 2 .203 -0.522 1.00 0. 00 c ATOMO 149 H LEU A 12 7. 484 1 .074 1.198 1.00 0. 00 H ATOMO 150 HA LEU A 12 7. 420 -0 .927 -0.859 1.00 0. 00 H ATOMO 151 1HB LEU A 12 9. 860 -0 .193 -1.155 1.00 0. 00 H ATOMO 152 2KB LEU A 12 8.589 0.954 -1.523 1.00 0.00 H ATOMO 153 HG LEU A 12 8 .984 2 .150 0 .533 1 .00 0 .00 H ATOMO 154 1HD1 LEU A 12 11 .085 1 .368 1 .863 1 .00 0 .00 H ATOMO 155 2HD1 LEU A 12 10 .695 -0 .208 1 .176 1 .00 0 .00 H ATOMO 156 3HD1 LEU A 12 9 .514 0 .633 2 .180 1 .00 0 .00 H ATOMO 157 1HD2 LEU A 12 10 .450 2 .511 -1.490 1 .00 0 .00 H ATOMO 158 2HD2 LEU A 12 11 .680 1 .566 -0 .651 1 .00 0 .00 H ATOMO 159 3HD2 LEU A 12 11 .095 3 .073 0 .053 1 .00 0 .00 . H ATOMO 160 N ASN A 13 8 .772 -1 .671 1 .952 1 .00 0 .00 N ATOMO 161 CA ASN A 13 9 .427 -2 .727 2 .714 1 .00 0 .00 c ATOMO 162 C ASN A 13 8 .417 -3 .615 3 .448 1 .00 0 .00 c ATOMO 163 0 ASN A 13 8 .801 -4 .430 4 .286 1 .00 0 .00 o ATOMO 164 CB ASN A 13 10 .406 -2 .119 3 .719 1 .00 0 .00 c ATOMO 165 CG ASN A 13 9 .719 -1 .200 4 .711 1.00 0 .00 c ATOMO 166 0D1 ASN A 13 8 .658 -0 .644 4 .427 1 .00 0 .00 o ATOMO 167 ND2 ASN A 13 10 .322 -1 .036 5 .882 1 .00 0 .00 N ATOMO 168 H ASN A 13 8.333 -0 .944 2 .434 1 .00 0 .00 H ATOMO 169 HA ASN A 13 9 .982 -3 .338 2 .019 1 .00 0 .00 H ATOMO 170 1HB ASN A 13 10 .888 -2 .914 4 .269 1 .00 0 .00 H ATOMO 171 2HB ASN A' 13 11 .153 -1 .550 3 .187 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 11 .165 -1 .510 6 .040 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 9 .899 -0 .447 6 .543 1 .00 0, .00 H ATOMO 174 N THR A 14 7 .130 -3 .459 3 .136 1 .00 0, .00 N ATOMO 175 CA THR A 14 6 .091 -4 .254 3 .778 1 .00 0, .00 c ATOMO 176 C THR A 14 5 .473 -5 .240 2 .793 1 .00 0, .00 c ATOMO 177 O THR A 14 5 .905 -5 .340 1 .644 1 .00 0, .00 o ATOMO 178 CB THR A 14 5 .009 -3, .342 .357 1 .00 0. .00 c ATOMO 179 OG1 THR A 14 4 .407 -2, .567 3 .335 1 .00 0. .00 o ATOMO 180 CG2 THR A 14 5 .531 -2, .388 c .410 1, .00 0. .00 c ATOMO 181 H THR A 14 6, .871 -2, .799 2 .463 1 .00 0. .00 H ATOMO 182 HA THR A 14 .550 -4. .809 .584 1, .00 0. .00 H ATOMO 183 HB THR A 14 4. .244 -3. .953 4 .815 1, .00 0. ,00 H ATOMO 184 HG1 THR A 14 4, .084 -3. .147 2 .642 1, .00 0. ,00 H ATOMO 185 1HG2 THR A 14 4, .738 -1. .719 5, .713 1, .00 0. 00 H ATOMO 186 2HG2 THR A 14 6, .350 -1, .815 5, .002 1. .00 0. 00 H ATOMO 187 3HG2 THR A 14 5. .874 -2. .949 6, .266 1, ,00 0. 00 H ATOMO 188 N GLN A 15 4. .460 -5. .965 3, .252 1. .00 0. 00 N ATOMO 189 CA GLN A 15 3. .776 -6. ,945 2. .419 1. .00 0. 00 c ATOMO 190 C GLN A 15 3. ,040 -6. ,267 1. .261 1. ,00 0. 00 c ATOMO 191 O GLN A 15 2. .693 -5. ,089 1. .349 1. ,00 0. 00 o ATOMO 192 CB GLN A 15 2. ,788 -7. 747 3. .267 1. .00 0. 00 c ATOMO 193 CG GLN A 15 3. ,439 -8. 478 4. .431 1. ,00 0. 00 c ATOMO 194 CD GLN A 15 3. .555 -9. 971 4. .191 1. ,00 0. 00 c ATOMO 195 OE1 GLN A 15 2. 555 -10. 661 3. .996 1. ,00 0. 00 0 ATOMO 196 NE2 GLN A 15 4. ,783 -10. 479 4. ,208 1. ,00 0. 00 N ATOMO 197 H GLN A 15 4. 164 -5. 839 4. ,175 1. 00 0. 00 H ATOMO 198 HA GLN A 15 4. 519 -7. 616 2. ,016 1. 00 0. 00 H ATOMO 199 1HB GLN A 15 2. 044 -7. 073 3. 665 1. 00 0. 00 H ATOMO 200 2HB GLN A 15 2. 302 -8. 475 2. 639 1. 00 0. 00 H ATOMO 201 1HG GLN A 15 4. 430 -8. 077 4. 582 1. 00 0. 00 H ATOMO 202 2HG GLN A 15 2. 846 -8. 316 5. 318 1. 00 0: 00 H ATOMO 203 1HE2 GLN A 15 5. 534 -9. 870 4. 371 1. 00 0. 00 • H ATOMO 204 2HE2 GLN A 15 4. 887 -11. 442 4. 057 1. 00 0. 00 H ATOMO 205 N PRO A 16 2. 787 -7. 000 0. 156 1. 00 0. 00 N ATOMO 206 CA PRO A 16 2. 084 -6. 445 -1. 007 1. 00 0. 00 c ATOMO 207 C PRO A 16 0. 646 -6. 062 -0. 679 1. 00 0. 00 c ATOMO 208 0 PRO A 16 0. 213 -6. 170 0. 468 1. 00 0. 00 o ? ? ? ? ?-!-:«-!-?2?????»? ?! » 2 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? -? ? ? ? ? ? ? ? ? ? ? * ? ? ? ? ? ? o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o O o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o o -t en en O en O D r- O O r- 00 en en O en 00 -3· r~ O 00 O O r~ «3· ¾· *3» el o G- r- 00 en r- ro ro en O ro ro r- O m r- 03 en en ro ro ro o 00 ro O en O o r~ ro 1 ro ro *3* co r- en o ro 00 «3« co >3" 00 co o cg o o o O O ro ro o O o ro ro o ro m co m en en en «3· r~ 1 1 1 1 1 t 1 1 1 t 1 1 1 1 1 1 l 1 1 1 1 1 1 1 1 1 l 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 m m m en en o en ¦«· O ¦o» O •c o "3· en en r P- r~ en 00 00 co en ro ro r- en r~ en co ro en \o o O o en ro l— r- 00 o O o co r- ro en en O 00 en ¦3" o ro m m o o •a" t- o en en en o en ro -o en ro co 00 en co ro ro en r- 00 r- r- en en en 00 m m r» ¦c ¦c ro r- r- r 00 r- r- c— r- r- co co co r- vo co en r- 00 co en r~ "31 ro 1 1 1 1 1 1 1 l 1 1 1 i 1 1 1 1 1 1 l 1 1 1 l 1 1 1 1 1 1 l 1 1 1 l 1 l 1 1 1 1 1 1 l 1 l 1 1 CTl en *r o o ro O en ro en o en >o 1— ro r- r- en ro en co en en «j> «3· en -l o o ro m o o en r- en 00 O O ro ro en o o o co o co en r~ ro ro en ro en o en r- ro r- r~ co en ro r- ro co r- -o r- en r- ro r~ r~ •31 en o o ro ro r- en en cn r- r~ 00 ¾· ro ro ¦3· ro ro ro ro ro 1 1 1 1 1 1 1 1 1 1 1 1 l 1 1 1 1 1 1 1 1 1 1 1 1 1 l 1 1 1 1 1 1 1 1 1 1 1 t 1 r- r~ r- r— r- c- r~ r- 00 00 00 00 00 00 00 en en en en en en en en en en en en o o o o o o o O o O O < ft < ft < "C «a; «e < < < ft < < < < < < < < < < < < ft, < < < rí, < < < < < < ft ft ft ft ft ft ft ft O O O O O O O O o O ro ro ro OT w ro ro ro OT w OT OT OT OT OT OT OT OT CU CU Cu CU u cu Cu CU cu Cu Cu U Cu OT CU Cu OT ft ft et CC, X X >" -¦ x -· X X X X -· » X X ro "i OT OT w OT w OT w OT OT w OT OT OT OT n OT OT co -q a LO LO O LO CM C\l ATOMO 266 0 ALA A 21 -1.144 -4.862 -6.036 1.00 0.00 0 ATOMO 267 CB ALA A 21 -3 .968 -3 .530 -4. 582 1 .0.0 0 .00 C ATOMO 268 H ALA A 21 -3 .843 -6 .082 -4. 935 1 .00 0 .00 H ATOMO 269 HA ALA A 21 -3 .972 -3 .795 -6. 690 1 .00 0 .00 H ATOMO 270 1HB ALA A 21 -4 .021 -4 .251 -3. 782 1 .00 0 .00 H ATOMO 271 2HB ALA A 21 -4 .953 -3 .129 -4. 770 1 .00 0 .00 H ATOMO 272 3HB ALA A 21 -3 .301 -2 .728 -4. 299 1 .00 0 .00 H ATOMO 273 N TH A 22 -1 .603 -2 .661 -6. 105 1 .00 0 .00 N ATOMO 274 CA THR A 22 -0 .213 -2 .265 -6. 261 1 .00 0 .00 c ATOMO 275 C THR A 22 0 .096 -1 .040 -5. 407 1 .00 0 .00 c ATOMO 276 0 THR A 22 -0 .709 -0 .112 -5. 319 1 .00 0 .00 0 ATOMO 277 CB THR A 22 0 .088 -1 .967 -7. 730 1 .00 0 .00 c ATOMO 278 OG1 THR A 22 -0 .201 -3 .093 -8. 539 1 .00 0 .00 0 ATOMO 279 CG2 THR A 22 1 .527 -1 .581 -7. 978 1 .00 0 .00 c ATOMO 280 H THR A 22 -2 .293 -1 .969 -6. 073 1 .00 0 .00 H ATOMO 281 HA THR A 22 0 .407 -3 .085 -5. 933 1 .00 0 .00 H ATOMO 282 HB THR A 22 -0 .535 -1 .147 -8. 054 1 .00 0 .00 H ATOMO 283 HG1 THR A 22 -0 .093 -2 .860 -9. 46 1 .00 0 .00 H ATOMO 284 1HG2 THR A 22 1 .756 -0 .679 -7. 432 1 .00 0 .00 H ATOMO 285 2HG2 THR A 22 1 .676 -1 .411 -9. 034 1 .00 0 .00 H ATOMO 286 3HG2 THR A 22 2 .175 -2 .377 -7. 646 1 .00 0 .00 H ATOMO 287 N CYS A 23 1 .270 -1 .042 -4. 784 1 .00 0 .00 N ATOMO 288 CA CYS A 23 1 .689 0 .071 -3. 944 1 .00 0 .00 c ATOMO 289 C CYS A 23 2 .175 1 .224 -4. 818 1 .00 0 .00 c ATOMO 290 O CYS A 23 3 .192 1 .109 -5. 502 1 .00 0 .00 o ATOMO 291 CB CYS A 23 2 .795 -0 .384 -2. 987 1 .00 0 .00 c ATOMO 292 SG CYS A 23 2 .997 0 .667 -1. 512 1 .00 0 .00 S ATOMO 293 H CYS A 23 1 .869 -1 .809 -4. 898 1 .00 0 .00 H ATOMO 294 HA CYS A 23 0 .834 0 .399 -3. 372 1 .00 0 .00 H ATOMO 295 1HB CYS A 23 2 .574 -1 .385 -2. 645 1 .00 0 .00 H ATOMO 296 2HB CYS A 23 3 .736 -0 .391 -3. 516 1 .00 0 .00 H ATOMO 297 N THR A 24 1 .428 2 .325 -4. 814 1 .00 0 .00 N ATOMO 298 CA THR A 24 1 .765 3 .483 -5. 628 1 .00 0 .00 c ATOMO 299 C THR A 24 1 .918 4 .748 -4. 785 1 .00 0 .00 c ATOMO 300 0 THR A 24 1 .355 4 .867 -3. 697 1 .00 0 .00 0 ATOMO 301 CB TH A 24 0 .683 3 .696 -6. 697 1 .00 0 .00 c ATOMO 302 OG1 THR A 24 0 .699 2 .640 -7. 639 1 .00 0 .00 o ATOMO 303 CG2 THR A 24 0 .827 4 .997 -7. 464 1 .00 0 .00 c ATOMO 304 H THR A 24 0 .618 2 .351 -4. 267 1 .00 0 .00 H ATOMO 305 HA THR A 24 2 .703 3 .279 -6. 121 1 .00 0 .00 H ATOMO 306 HB THR A 24 -0 .283 3 .703 -6. 213 1 .00 0 .00 H ATOMO 307 HG1 THR A 24 -0 .101 2 .672 -8. 169 1 .00 0 .00 H ATOMO 308 1HG2 THR A 24 0 .585 5 .824 -6. 812 1 .00 0 .00 H ATOMO 309 2HG2 THR A 24 0 .156 4 .994 -8. 307 1 .00 0 .00 H ATOMO 310 3HG2 THR A 24 1 .846 5 .099 -7. 809 1 .00 0 .00 H ATOMO 311 N GLN A 25 2 .670 5 .693 -5. 333 1 .00 0 .00 N ATOMO 312 CA GLN A 25 2 .904 6 .974 -4. 693 1 .00 0 .00 c ATOMO 313 C GLN A 25 1 .664 7 .860 -4. 821 1 .00 0 .00 c ATOMO 314 0 GLN A 25 1 .140 8 .054 -5. 919 1 .00 0. .00 0 ATOMO 315 CB GLN A 25 4 .114 7 .657 -5. 335 1 .00 0. .00 c ATOMO 316 CG GLN A 25 4. .360 9 .063 -4. 825 1 .00 0. .00 c ATOMO 317 CD GLN A 25 5, .768 9 .551 -5. 103 1, .00 0, .00 c ATOMO 318 OE1 GLN A 25 6, .738 8 .815 -4. 927 1. .00 0, .00 o ATOMO 319 NE2 GLN A 25 5. .886 10 .800 -5. 540 1, .00 0. .00 N ATOMO 320 H GLN A 25 3. .066 5, .529 -6. 212 1. .00 0. .00 H ATOMO 321 HA GLN A 25 3. .108 6. .803 -3. 647 1, .00 0. .00 H ATOMO 322 1HB GLN A 25 4. .995 7. .065 -5. 134 1. .00 0. .00 H ATOMO 323 2HB GLN A 25 3.960 7.706 -6.403 1.00 0.00 H ATOMO 324 1HG GLN A 25 3. 660 9. 728 -5. 308 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 190 9. 074 -3. 761 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 5. 069 11. 329 -5. 656 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6. 785 11. 141 -5. 727 1 .00 0. 00 H ATOMO 328 N GLU A 26 1. 204 8. 393 -3. 697 1 .00 0. 00 N ATOMO 329 CA GLU A 26 0. 029 9. 255 -3. 684 1 .00 0. 00 c ATOMO 330 C GLU A 26 0. 206 10. 402 -2. 695 1 .00 0. 00 c ATOMO 331 O GLU A 26 1. 257 10. 541 -2. 071 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1. 219 8. 446 -3. 329 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1. 466 7. 273 -4. 261 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2. 806 6. 605 -4. 021 1 .00 0. 00 c ATOMO 335 OE1 GLU A 26 -2. 903 5. 378 -4. 229 1 .00 0. 00 o ATOMO 336 OE2 GLU A 26 -3. 757 7. 310 -3. 623 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1. 665 8. 199 -2. 856 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0. 092 9. 667 -4. 675 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1. 114 8. 066 -2. 324 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2. 079 9. 097 -3. 369 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1. 436 7. 627 -5. 281 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 684 6. 543 -4. 114 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0. 830 11. 220 -2. 560 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0. 795 12. 359 -1. 648 1 .00 0. 00 C ATOMO 345 C ARG A 27 -1. 761 12. 153 -0. 485 1 .00 0. 00 C ATOMO 346 0 ARG A 27 -2. 810 11. 528 -0. 642 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -1. 144 13. 648 -2. 395 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0. 011 14. 214 -3. 203 1 .00 0. 00 c ATOMO 349 CD ARG A 27 -0. 070 15. 728 -3. 307 1 .00 0. 00 C ATOMO 350 NE ARG A 27 -0. 693 16. 160 -4. 557 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 -0. 756 17. 429 -4. 962 1 .00 0. 00 C ATOMO 352 NH1 ARG A 27 -0. 236 18. 403 -4. 221 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 -1. 343 17. 726 -6. 113 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1. 640 11. 055 -3. 087 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0. 208 12. 441 -1. 257 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -1. 964 13. 449 -3. 068 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1. 453 14. 394 -1. 676 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0. 940 13. 945 -2. 723 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0. 017 13. 792 -4. 197 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -0. 653 16. 102 -2. 478 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 0. 930 16. 135 -3. 255 1 .00 0. 00 H ATOMO 362 HE ARG A 27 -1. 087 15. 467 -5. 126 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 0. 209 18. 190 -3. 352 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 -0. 288 19. 351 -4. 536 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 -1. 736 17. 000 -6. 675 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 -1. 391 18. 677 -6. 419 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1. 400 12. 680 0. 681 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2. 238 12. 550 1. 867 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2. 972 13. 854 2. 164 1 .00 0. 00 c ATOMO 370 0 ASN A 28 -2. 852 14. 829 1. 421 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1. 392 12. 142 3. 074 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0. 341 13. 176 3. 424 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0. 166 14. 165 2. 713 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 366 12. 952 4. 526 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0. 551 13. 167 0. 746 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -2. 967 11. 778 1. 673 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2. 036 12. 006 3. 929 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0. 893 11. 211 2. 854 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 0. 171 12. 143 5. 044 1 .00 0. 00 H .

ATOMO 380 2HD2 ASN A 28 1 .052. 13 .605 4.777 1 .00 0.00 H ATOMO 381 N GLÜ A 29 -3 .728 13 .863 3.256 1 .00 0.00 N ATOMO 382 CA GLÜ A 29 -4 .480 15 .045 3,655 1 .00 0.00 C ATOMO 383 C GLÜ A 29 -3 .544 16 .222 3.911 1 .00 0.00 C ATOMO 384 0 GLU A 29 -3 .913 17 .378 3.701 1 .00 0.00 0 ATOMO 385 CB GLU A 29 -5 .301 14 .748 4.910 1 .00 0.00 c ATOMO 386 CG GLÜ A 29 -4 .519 14 .021 5.992 1 .00 0.00 c ATOMO 387 CD GLU A 29 -4 .984 14 .382 7.389 1 .00 0.00 c ATOMO 388 OE1 GLÜ A 29 -4 .240 15 .095 8.096 1 .00 0.00 0 ATOMO 389 OE2 GLÜ A 29 -6 .092 13 .955 7.776 1 .00 0.00 0 ATOMO 390 H GLÜ A 29 -3 .781 13 .056 3.808 1 .00 0.00 H ATOMO 391 HA GLU A 29 -5 .150 15 .301 2.849 1 .00 0.00 H ATOMO 392 1HB GLÜ A 29 -5 .658 15 .679 5.319 1 .00 0.00 H ATOMO 393 2HB GLU A 29 -6 .149 14 .137 4.636 1 .00 0.00 H ATOMO 394 1HG GLÜ A 29 -4 .642 12 .957 5.853 1 .00 0.00 H ATOMO 395 2HG GLU A 29 -3 .474 14 .278 5.898 1 .00 0.00 H ATOMO 396 N ASN A 30 -2 .331 15 .920 4.365 1 .00 0.00 N ATOMO 397 CA ASN A 30 -1 .342 16 .953 4.648 1 .00 0.00 c ATOMO 398 C ASN A 30 -0 .746 17 .507 3.357 1 .00 0.00 c ATOMO 399 O ASN A 30 -0 .339 18 .668 3.299 1 .00 0.00 0 ATOMO 400 CB ASN A 30 -0 .230 16.393 5.537 1 .00 0.00 c ATOMO 401 CG ASN A 30 -0 .751 15 .908 6.876 1 .00 o . óo c ATOMO 402 OD1 ASN A 30 -1 .654 16 .508 7.458 1 .00 0.00 0 ATOMO 403 ND2 ASN A 30 -0 .180 14 .817 7.374 1 .00 0.00 N ATOMO 404 H ASN A 30 -2 .096 14 .981 4.512 1 .00 0.00 H ATOMO 405 HA ASN A 30 -1 .840 17 .753 5.173 1 .00 0.00 H ATOMO 406 1HB ASN A 30 0 .241 15 .562 5.033 1 .00 0;00 H ATOMO 407 2HB ASN A 30 0 .505 17 .164 5.713 1. .00 0.00 H ATOMO 408 1HD2 ASN A 30 0 .534 14 .391 6.855 1 .00 0.00 H ATOMO 409 2HD2 ASN A 30 -0 .497 14 .482 8.238 1 .00 0.00 H ATOMO 410 N GLY A 31 -0 .698 16 .672 2.322 1 .00 0.00 N ATOMO 411 CA GLY A 31 -0 .149 17 .104 1.048 1 .00 0.00 c ATOMO 412 C GLY A 31 1 .220 16 .509 0.748 1 .00 0.00 c ATOMO 413 O GLY A 31 1 .778 16 .746 -0.323 1 .00 0.00 0 ATOMO 414 H GLY A 31 -1 .035 15 .757 2.423 1 .00 0.00 H ATOMO 415 1HA GLY A 31 -0 .830 16 .813 0.263 1 .00 0.00 H ATOMO 416 2HA GLY A 31 -0 .065 18 .180 1.054 1 .00 0.00 H ATOMO 417 N HIS A 32 1 .767 15 .735 1.686 1 .00 0.00 N ATOMO 418 CA HIS A 32 3 .073 15 .116 1.495 1 .00 0.00 c ATOMO 419 C HIS A 32 2 .942 13 .806 0.729 1 .00 0.00 c ATOMO 420 0 HIS A 32 1, .875 13 .193 0.711 1 .00 0.00 0 ATOMO 421 CB HIS A 32 3, .748 14 .866 2.845 1 .00 0.00 c ATOMO 422 CG HIS A 32 5 .126 14 .291 2.728 1 .00 0.00 c ATOMO 423 ND1 HIS A 32 6 .140 14 .904 2.022 1 .00 0.00 N ATOMO 424 CD2 HIS A 32 5 .656 13 .152 3.231 1 .00 0.00 c ATOMO 425 CE1 HIS A 32 7, .233 14 .165 ¦2.096 1 .00 0.00 c ATOMO 426 NE2 HIS A 32 6, .965 13 .098 2.824 1 .00 0.00 N ATOMO 427 H HIS A 32 1. .284 15 .572 2.522 1 .00 0.00 H ATOMO 428 HA HIS A 32 3, .681 15 .797 0.919 1. .00 0.00 H ATOMO 429 1HB HIS A 32 3. .823 15 .801 3.380 1 .00 0.00 H ATOMO 430 2HB HIS A 32 3. .145 14 .176 3.418 1. .00 0. 00 H ATOMO 431 HDl HIS A 32 6. .069 15 .753 1.538 1, .00 0.00 H ATOMO 432 HD2 HIS A 32 5, .143 12 .420 3.840 1, .00 0.00 H ATOMO 433 HE1 HIS A 32 8, .184 14 .398 1.640 1. .00 0.00 H ATOMO 434 HE2 HIS A 32 7. .619 12 .420 3.095 1. .00 0.00 H ATOMO 435 N TH A 33 4. .028 13 .382 0.093 1. .00 0.00 N ATOMO 436 CA THR A 33 4. .023 12 .145 -0.677 1, .00 0.00 c ATOMO 437 C THR A 33 3,.866 10.935 0.237 1.00 0.00 C ATOMO 438 0 THR A 33 4, .400 10 .905 1. 346 1 .00 0. 00 o ATOMO 439 CB THR A 33 5 .309 12 .014 -1. 492 1 .00 0. 00 C ATOMO 440 OG1 THR A 33 5 .498 13 .148 -2 ,319 1 .00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .327 10 .788 -2. 381 1 .00 0. 00 c ATOMO 442 H THR A 33 4 .849 13 .914 0. 140 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .182 12 .180 -1. ,353 1 .00 0. 00 H ATOMO 444 HB THR A 33 6 .149 11 .943 -0. .815 1 .00 o. 00 H ATOMO 445 HG1 THR A 33 4 .703 13 .306 -2. ,834 1 .00 0. 00 H ATOMO. 446 1HG2 THR A 33 6 .341 10 .577 -2. ,687 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .717 10 .968 -3. ,254 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 4 .932 9 .942 -1. ,836 1 .00 0. 00 H ATOMO 449 N VAL A 34 3 .127 9 .940 -0. ,239 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .893 8 .723 0. ,526 1 .00 0. 00 c ATOMO 451 C VAL A 34 2 .712 7 .528 -0. .399 1 .00 0. 00 c ATOMO 452 0 VAL A 34 2 .702 7 .671 -1. ,621 1 .00 0. 00 o ATOMO 453 CB VAL A 34 1 .650 8 .856 1. .426 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 1 .898 9 .869 2. .533 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .432 9 .243 0. .603 1 .00 0. 00 c ATOMO 456 H VAL A 34 2 .730 10 .026 -1. ,130 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3 .752 8 .548 1. .156 1 .00 0. 00 H ATOMO 458 KB VAL A 34 1 .458 7 .895 1. .884 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2 .947 9 .874 2. ,788 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 1 .318 9 .601 3. .403 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1 .605 10 .851 2. ,193 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .560 10 .245 0. 219 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .450 9 .207 1. ,226 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0 .319 8 .554 -0. 221 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .574 6 .351 0. 190 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .394 5 .124 -0. 578 1 .00 0. 00 c ATOMO 467 C Y A 35 1 .042 4 .489 -0. 268 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0 .717 4 .242 0. ,893 1 .00 0. 00 o ATOMO 469 CB TYR A 35 3 .521 4 .140 -0. 264 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4 .855 4 .539 -0. 851 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5 .558 5 .629 -0. 350 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5 .413 3 .828 -1. 906 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6 .779 5 .997 -0. 884 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6 .633 4 .190 -2. 445 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7 .312 5 .275 -1. 931 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8 .526 5 .639 -2. 465 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2 .595 6 .305 1. 169 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2 .430 5 .378 -1. 627 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3 .639 4 .067 0. 806 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3, .260 3 .171 -0. 659 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 5 .138 6 .193 0. 470 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 4. .879 2 .979 -2. 307 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 7, .309 6 .847 -0. 480 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7, .050 3 .624 -3. 264 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8, ,505 6 .568 -2. 704 1 .00 0. 00 H ATOMO 486 N TYR A 36 0, .250 4 .235 -1. 309 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1, .070 3 .638 -1. 126 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1, .275 2 .428 -2. 033 1 .00 0. 00 c ATOMO 489 0 TYR A 36 -0. .527 2 .213 -2. 985 1. .00 0. 00 o ATOMO 490 CB TYR A 36 -2. ,160 .680 -1. 392 1. .00 0. 00 c ATOMO 491 CG TYR A 36 -2. .629 5 .396 -0. 146 1. .00 0. 00 c ATOMO 492 CD1 TYR A 36 -1. ,825 6, .339 0. 481 1, .00 0. 00 c ATOMO 493 CD2 TYR A 36 -3. ,878 5, .129 0. 404 1. .00 0. 00 c ATOMO 494 CEl TYR A 36 -2.250 6.997 1.619 1.00 0.00 c ATOMO 495 CE2 TYR A 36 -4 .310 5 .783 1 .542 1 .00 0 .00 c ATOMO 496 CZ TYR A 36 -3 .493 6.7.16 2 .146 1 .00 0 .00 c ATOMO 497 OH TYR A 36 -3 .921 7 .368 3 .279 1 .00 0 .00 0 ATOMO 498 H TYR A 36 0 .556 4 .460 -2 .215 1 .00 0 .00 H ATOMO 499 HA TYR A 36 -1 .145 3 .313 -0 .103 1 .00 0 .00 H ATOMO 500 1HB TYR A 36 -1 .779 5 .422 -2 .076 1 .00 0 .00 H ATOMO 501 2HB TYR A 36 -3 .015 4 .193 -1 .837 1 .00 0 .00 H ATOMO 502 HDl TYR A 36 -0 .852 6 .558 0 .066 1 .00 0 .00 H ATOMO 503 HD2 TYR A 36 -4 .515 4 .398 -0 .072 1 .00 0 .00 H ATOMO 504 HEl TYR A 36 -1 .611 7 .727 2 .092 1 .00 0 .00 H ATOMO 505 HE2 TYR A 36 -5 .283 5 .562 1 .954 1 .00 0 .00 H ATOMO 506 HH TYR A 36 -3 .691 8 .299 3 .219 1 .00 0 .00 H ATOMO 507 N CYS A 37 -2 .300 1 .640 -1 .718 1 .00 0 .00 N ATOMO 508 CA CYS A 37 -2 .620 0 .440 -2 .492 1 .00 0 .00 c ATOMO 509 C CYS A 37 -3 .779 0 .703 -3 .448 1 .00 0 .00 c ATOMO 510 O CYS A 37 -4 .787 1 .298 -3 .070 1 .00 0 .00 0 ATOMO 511 CB CYS A 37 -2 .979 -0 .719 -1 .558 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1 .534 -1 .559 -0 .837 1 .00 0 .00 s ATOMO 513 H CYS A 37 -2 .849 1 .869 -0 .939 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1 .749 0 .169 -3.068 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3 .586 -0 .346 -0 .745 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3 .543 -1 .455 -2 .105 1 .00 0, .00 H ATOMO 517 N ARG A 38 -3 .621 0 .255 -4 .690 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 .646 0 .440 -5 .707 1 .00 0 .00 c ATOMO 519 C ARG A 38 -4 .933 -0 .869 -6 .430 1 .00 0 .00 c ATOMO 520 O ARG A 38 -4 .023 -1 .525 -6 .937 1 .00 0, .00 0 ATOMO 521 CB ARG A 38 -4 .208 1 .505 -6 .714 1 .00 0, .00 c ATOMO 522 CG ARG A 38 -3 .901 2 .851 -6 .080 1 .00 0, .00 c ATOMO 523 CD ARG A 38 -5 .161 3 .512 -5 .547 1 .00 0, .00 c ATOMO 524 NE ARG A 38 -5 .075 4 .970 -5, .595 1 .00 0, .00 N ATOMO 525 CZ ARG A 38 -6 .009 5 .791 -5, .115 1 .00 0. .00 c ATOMO 526 NHl ARG A 38 -7 .110 5 .308 -4 , .549 1 .00 0, .00 N ATOMO 527 NH2 ARG A 38 -5 .842 7 .104 -5, .201 1 .00 0, .00 N ATOMO 528 H ARG A 38 -2 .792 -0, .210 -4. .928 1 .00 0, .00 H ATOMO 529 HA ARG A 38 -5 .547 0. .771 -5. .214 1, .00 0. .00 H ATOMO 530 1HB ARG A 38 -3 .319 1, .160 -7. .221 1 .00 0. .00 H ATOMO 531 2HB ARG A 38 - .995 1, .643 -7. .440 1, .00 0. .00 H ATOMO 532 1HG ARG A 38 -3, .211 2, .705 -5. .264 1, .00 0. .00 H ATOMO 533 2HG ARG A 38 -3, .454 3, .494 -6. ,823 1. .00 0. ,00 H ATOMO 534 1HD ARG A 38 -6, .002 3. .191 -6. ,145 1. .00 0. ,00 H ATOMO 535 2HD ARG A 38 -5, .309 3, .202 -4. ,523 1. .00 0. ,00 H ATOMO 536 HE ARG A 38 -4, .276 5. .361 -6. .007 1. .00 0. ,00 H ATOMO 537 1HH1 ARG A 38 -7. .246 4. .319 -4. ,478 1. .00 0. 00 H ATOMO 538 2HH1 ARG A 38 -7, .804 5. ,933 -4. ,192 1. .00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5, .017 7, .475 -5. 626 1. .00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6, .542 7. .722 -4. 842 1. .00 0. 00 H ATOMO 541 N ALA A 39 -6. .205 -1. .243 -6. 473 1. .00 0. 00 N ATOMO 542 CA ALA A 39 -6. .617 -2. ,476 -7. 134 1. ,00 0. 00 c ATOMO 543 C ALA A 39 -6. .433 -2. ,375 -8. 645 1. ,00 0. 00 c ATOMO 544 O ALA A 39 -6. .906 -1. ,380 -9. 232 1. ,00 0. 00 o ATOMO 545 CB ALA A 39 -8, ,065 -2. .798 -6. 798 1. 00 0. 00 c ATOMO 546 OXT ALA A 39 -5. ,817 -3. 293 -9. 228 1. 00 0. 00 0 ATOMO 547 H ALA A 39 -6. ,882 -0. ,676 -6. 051 1. 00 0. 00 H ATOMO 548 HA ALA A 39 -5. ,998 -3. 277 -6. 759 1. 00 0. 00 H ATOMO 549 1HB ALA A 39 -8. ,351 -3. 718 -7. 284 1. 00 0. 00 H ATOMO 550 2HB ALA A 39 -8. ,701 -1. 996 -7. 141 1. 00 0. 00 H ATOMO 551 3HB ALA A 39 -8.169 -2.909 -5.729 1.00 0.00 TER 552 ALA A 39 ENDMDL MODELO 13 ATOMO 1 N GLY A 1 -0 .492 -15 .142 2 .558 1 .00 0 .00 N ATOMO 2 CA GLY A 1 -0 .625 -15 .088 4 .040 1 .00 0 .00 C ÁTOMO 3 C GLY A 1 -1 .194 -13 .767 4 .523 1 .00 0 .00 C ATOMO 4 0 GLY A 1 -2 .217 -13 .738 5 .207 1 .00 0 .00 O ATOMO 5 1H GLY A 1 0 .239 -14 .475 2 .239 1 .00 0 .00 H ATOMO 6 2H GLY A 1 -1 .395 -14 .890 2 .108 1 .00 0 .00 H ATOMO 7 3H GLY A 1 -0 .226 -16 .101 2 .258 1 .00 0 .00 H ATOMO 8 1HA GLY A 1 -1 .276 -15 .887 4 .362 1 .00 0 .00 H ATOMO 9 2HA GLY A 1 0 .350 -15 .230 4 .482 1 .00 0 .00 H ATOMO 10 N SER A 2 -0 .529 -12 .672 4 .168 1 .00 0 .00 N ATOMO 11 CA SER A 2 -0 .974 -11 .343 4 .570 1 .00 0 .00 C ATOMO 12 C SER A 2 -0 .714 -10 .324 3 .466 1 .00 0 .00 C ATOMO 13 O SER A 2 0 .263 -10 .432 2 .726 1 .00 0 .00 O ATOMO 14 CB SER A 2 -0 .263 -10 .911 5 .855 1 .00 0 .00 C ATOMO 15 OG SER A 2 1 .144 -10 .949 5 .696 1 .00 0 .00 o ATOMO 16 H SER A 2 0 .281 -12 .760 3 .623 1 .00 0. .00 H ATOMO 17 HA SER A 2 -2 .036 -11 .392 .757 1 .00 0 .00 H ATOMO 18 1HB SER A 2 -0 .558 -9 .904 6 .105 1 .00 0 .00 H ATOMO 19 2HB SER A 2 -0 .541 -11 .577 6 .659 1 .00 0 .00 H ATOMO 20 HG SER A 2 1 .566 -10 .818 6 .548 1 .00 0 .00 H ATOMO 21 N CYS A 3 -1 .595 -9 .335 3 .361 1 .00 0 .00 N ATOMO 22 CA CYS A 3 -1 .461 -8 .297 2 .350 1. .00 0 .00 C ATOMO 23 C CYS A 3 -2 .110 -6 .999 2 .817 1 .00 0 .00 C ATOMO 24 O CYS A 3 -2 .839 -6 .977 3 .809 1 .00 0 .00 O ATOMO 25 CB CYS A 3 -2 .090 -8 .751 1, .029 1 .00 0 .00 C ATOMO 26 SG CYS A 3 -3 .862 -9 .166 1, .145 1 .00 0 .00 S ATOMO 27 H CYS A 3 -2 .352 -9 .301 3, .982 1 .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .408 -8 .121 2, .194 1 .00 0 .00 H ATOMO 29 1HB CYS A 3 -1 .987 -7, .961 0, .300 1 .00 0.00 H ATOMO 30 2HB CYS A 3 -1 .569 -9, .629 0. .677 1 .00 0, .00 H ATOMO 31 N VAL A 4 -1 .844 -5 .921 2. .091 1 .00 0 .00 N ATOMO 32 CA VAL A 4 -2 .396 -4, .619 2. .417 1 .00 0, .00 C ATOMO 33 C VAL A 4 -3 .738 -4, .410 1. .708 1 .00 0. .00 C ATOMO 34 0 VAL A 4 -3 .841 -4, .640 0. .509 1 .00 0, .00 0 ATOMO 35 CB VAL A 4 -1 .417 -3, .505 2. .005 1 .00 0, .00 C ATOMO 36 CGl VAL A 4 -1, .997 -2. .127 2. ,288 1 .00 0. .00 C ATOMO 37 CG2 VAL A 4 -0 .088 -3. .691 2. ,715 1 .00 0. .00 C ATOMO 38 H VAL A 4 -1 .258 -6. .002 1. ,312 1 .00 0. .00 H ATOMO 39 HA VAL A 4 -2 .538 -4. .571 3. .484 1 .00 0. .00 H ATOMO 40 HB VAL A 4 -1, .245 -3. .586 0. ,942 1, .00 0. ,00 H ATOMO 41 1HG1 VAL A 4 -1, .215 -1. .387 2. ,221 1, .00 0. ,00 H ATOMO 42 2HG1 VAL A 4 -2, .424 -2. ,115 3. ,279 1, .00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2. .766 -1. ,906 1. 562 1. .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0. .445 -4. ,518 2. 268 1, .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0. .265 -3. ,899 3. 759 1. .00 0. 00 H ATOMO 46 3HG2 VAL A 4 0. .500 -2. .790 2. 621 1, .00 0. 00 H ATOMO 47 N PRO A 5 -4. .787 -3. ,959 2. 422 1. ,00 0. 00 N ATOMO 48 CA PRO A 5 -6. .093 -3. ,729 1. 804 1. .00 0. 00 C ATOMO 49 C PRO A 5 -6. .051 -2. ,585 0. 797 1. ,00 0. 00 C ATOMO 50 0 PRO A 5 -5. .459 -1. 530 1. 053 1. ,00 0. 00 O ATOMO 51 CB PRO A 5 -7. ,011 -3. 374 2. 985 1. 00 0. 00 C ATOMO 52 CG PRO A 5 -6. ,246 -3. 736 4. 215 1. 00 0. 00 C ATOMO 53 CD P O A 5 -4. .793 -3. 625 3. 854 1. 00 0. 00 C ATOMO 54 HA PRO A 5 -6.458 -4.623 1.315 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7 .240 -2 .320 2 .959 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 -7 .927 -3 .944 2 .911 1 .00 0 .00 H ATOMO 57 1H6 PRO A 5 -6 .488 -3 .048 5 .012 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 -6 .482 -4 .748 4 .509 1 .00 0 .00 H ATOMO 59 1HD PRO A 5 -4 .438 -2 .617 4 .020 1 .00 0 .00 H ATOMO 60 2HD PRO A 5 -4 .210 -4 .332 4 .421 1 .00 0 .00 H ATOMO 61 N VAL A 6 -6 .692 -2 .786 -0 .350 1 .00 0 .00 N ATOMO 62 CA VAL A 6 -6 .730 -1 .768 -1 .382 1 .00 0 .00 C ATOMO 63 C VAL A 6 -7 .341 -0 .492 -0 .833 1 .00 0 .00 C ATOMO 64 O VAL A 6 -8 .160 -0 .530 0 .084 1 .00 0 .00 o ATOMO 65 CB VAL A 6 -7 .512 -2 .253 -2 .617 1 .00 0 .00 c ATOMO 66 CG1 VAL A 6 -7 .589 -1 .171 -3 .682 1 .00 0 .00 c ATOMO 67 CG2 VAL A 6 -6 .860 -3 .505 -3 .176 1 .00 0 .00 c ATOMO 68 H VAL A 6 -7 .158 -3 .629 -0 .500 1 .00 0 .00 H ATOMO 69 HA VAL A 6 -5 .712 -1 .565 -1 .683 1 .00 0 .00 H ATOMO 70 HB VAL A 6 -8 .516 -2 .501 -2 .311 1 .00 0 .00 H ATOMO 71 1HG1 VAL A 6 -8 .078 -0 .300 -3 .274 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -8 .151 -1 .537 -4 .527 1 .00 0 .00 H ATOMO 73 3HG1 VAL A 6 -6 .590 -0 .909 -3 .999 1 .00 0 .00 H ATOMO 74 1HG2 VAL A 6 -5 .809 -3 .504 -2 .921 1 .00 0 .00 H ATOMO 75 2HG2 VAL A 6 -6 .969 -3 .518 -4 .249 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7 .333 -4 .376 -2 .753 1 .00 0 .00 H ATOMO 77 N ASP A 7 -6 .902 0 .635 -1 .374 1 .00 0 .00 N ATOMO 78 CA ASP A 7 -7 .356 1 .938 -0 .930 i .00 0 .00 c ATOMO 79 C ASP A 7 -6 .752 2 .288 0 .433 1 .00 0 .00 c ATOMO 80 O ASP A 7 -7 .097 3 .313 1 .018 1 .00 0 .00 0 ATOMO 81 CB ASP A 7 -8 .883 1 .997 -0 .869 1 .00 0 .00 c ATOMO 82 CG ASP A 7 -9 .531 1 .509 -2 .150 1 .00 0 .00 c ATOMO 83 OD1 ASP A 7 -10 .181 0 .442 -2 .117 1 .00 0 .00 o ATOMO 84 OD2 ASP A 7 -9 .389 2 .192 -3 .186 1 .00 0 .00 0 ATOMO 85 H ASP A 7 -6 .230 0 .590 -2 .072 1 .00 0 .00 H ATOMO 86 HA ASP A 7 -7 .009 2 .663 -1 .651 1 .00 0 .00 H ATOMO 87 1HB ASP A 7 -9, .229 1 .380 -0 .056 1 .00 0 .00 H ATOMO 88 2HB ASP A 7 -9 .184 3 .015 -0 .702 1 .00 0 .00 H ATOMO 89 N GLN A 8 -5, .833 1, .445 0, .937 1, .00 0, .00 N ATOMO 90 CA GLN A 8 -5, .196 1, .708 2 .216 1, .00 0, .00 c ATOMO 91 C GLN A 8 -3, .700 1 .949 2, .024 1, .00 0, .00 c ATOMO 92 0 GLN A 8 -3. .117 1, .494 1, .040 1, .00 0, .00 o ATOMO 93 CB GLN A 8 -5. .424 0, .550 3, .186 1, .00 0, .00 c ATOMO 94 CG GLN A 8 -6, .878 0, .125 3, .294 1, .00 0. .00 c ATOMO 95 CD GLN A 8 -7. .793 1, .271 3, .680 1. .00 0. .00 c ATOMO 96 OE1 GLN A 8 -8, ,560 1, ,773 2. .859 1. .00 0. .00 o ATOMO 97 NE2 GLN A 8 -7. .714 1. .693 4. .937 1. .00 0. .00 N ATOMO 98 H GLN A 8 -5. .571 0, .639 0, .439 1. .00 0. .00 H ATOMO 99 HA GLN A 8 -5, ,640 2. .602 2. .622 1. ,00 0. ,00 H ATOMO 100 1HB GLN A 8 -4 , .845 -0. .299 2. .857 1. ,0.0 0. ,00 H ATOMO 101 2HB GLN A 8 -5. ,084 0, .846 4. .168 1. ,00 0. ,00 H ATOMO 102 1HG GLN A 8 -7. ,198 -0, .264 2. ,339 1. ,00 0. ,00 H ATOMO 103 2HG GLN A 8 -6. ,959 -0. .650 4. ,043 1. ,00 0. ,00 H ATOMO 104 1HE2 GLN A 8 -7. ,081 1. .246 5. ,537 1. ,00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8. .294 2. .433 5. 214 1. ,00 0. ,00 H ATOMO 106 N PRO A 9 -3. 055 2. ,682 2. 950 1. 00 0. 00 N ATOMO 107 CA PRO A 9 -1. 627 2. ,983 2. 847 1. 00 0. 00 c ATOMO 108 C PRO A 9 -0. ,741 1. ,751 2. 963 1. 00 0.. 00 c ATOMO 109 O PRO A 9 -1. 001 0. ,849 3. 759 1. 00 0. 00 0 ATOMO 110 CB PRO A 9 -1. 361 3. ,936 4. 012 1. 00 0. 00 c ATOMO 111 CG PRO A 9 -2.480 3.708 4.971 1.00 0.00 C ATOMO 112 CD PRO A 9 -3 .664 3 .286 4 .151 1 .00 0 .00 c ATOMO 113 HA PRO A 9 -1 .404 3 .486 1 .919 1 .00 0 .00 H ATOMO 114 1HB PRO A 9 -0 .405 3 .704 4 .460 1 .00 0 .00 H ATOMO 115 2HB PRO A 9 -1 .351 4 .948 3 .645 1 .00 0 .00 H ATOMO 116 1HG PRO A 9 -2 .212 2 .928 5 .668 1 .00 0 .00 H ATOMO 117 2HG PRO A 9 -2 .701 4 .621 5 .499 1 .00 0 .00 H ATOMO 118 1HD PRO A 9 -4 .254 2 .561 4 .690 1 .00 0 .00 H ATOMO 119 2HD PRO A 9 -4 .267 4 .141 3 .886 1 .00 0 .00 H ATOMO 120 N CYS A 10 0 .316 1 .741 2 .164 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .275 0 .645 2 .160 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .697 1 .183 2 .251 1 .00 0 .00 c ATOMO 123 0 CYS A 10 2 .911 2 .391 2 .354 1 .00 0 .00 0 ATOMO 124 CB CYS A 10 1 .120 -0 .201 0 .895 1 .00 0 .00 c ATOMO 125 SG CYS A 10 1 .012 0 .771 -0 .643 1 .00 0 .00 s ATOMO 126 H CYS A 10 0 .459 2 .502 1 .565 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1 .078 0 .028 3 .024 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 1 .968 -0 .862 0 .805 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .221 -0 .790 0 .976 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .665 0 .279 2 .208 1 .00 0 .00 N ATOMO 131 CA SER A 11 5 .070 0 .659 2 .282 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .908 -0 .179 1, .321 1 .00 0 .00 c ATOMO 133 O SER A 11 5 .579 -1 .330 1 .033 1 .00 0 .00 0 ATOMO 134 CB SER A 11 5 .592 0 .502 3.711 1 .00 0 .00 c ATOMO 135 OG SER A 11 5 .572 1 .740 4 .400 1 .00 0 .00 O ATOMO 136 H SER A 11 3 .429 -0 .665 2 .124 1 .00 0 .00 H ATOMO 137 HA SER A 11 5 .148 1 .696 1 .993 1 .00 0 .00 H ATOMO 138 1HB SER A 11 4 .969 -0 .199 4 .241 1 .00 0 .00 H ATOMO 139 2HB SER A 11 6 .608 0 .135 3 .686 1 .00 0 .00 H ATOMO 140 HG SER A 11 6 .210 1 .718 5, .117 1 .00 0 .00 H ATOMO 1 1 N LEU A 12 6 .988 0, .410 0, .828 1 .00 0 .00 N ATOMO 142 CA LEU A 12 7 .877 -0, .274 -o .107 1 .00 0 .00 c ATOMO 143 C LEU A 12 8 .620 -1, .433 0, .560 1 .00 0, .00 c ATOMO 144 0 LEU A 12 9 .121 -2, .327 -0, .122 1 .00 0, .00 0 ATOMO 145 CB LEU A 12 8 .883 0, .712 -0, .719 1, .00 0. .00 c ATOMO 146 CG LEU A 12 9 .677 1. .563 0, .279 1 .00 0, .00 c ATOMO 147 CD1 LEU A 12 10 .637 0, .700 1, .082 1, .00 0, .00 c ATOMO 148 CD2 LEU A 12 10. .435 2. .662 -0, .452 1, .00 0. .00 c ATOMO 149 H LEU A 12 7 .190 1. .329 1, .095 1, .00 0. .00 H ATOMO 150 HA LEU A 12 7, .264 -0. ,675 -0, .901 1, .00 0, ,00 H ATOMO 151 1HB LEU A 12 9, .585 0. .148 -1. .315 1, .00 0. ,00 H ATOMO 152 2HB LEU A 12 8 .341 1. ,380 -1. .373 1, .00 0. ,00 H ATOMO 153 HG LEU A 12 8. .995 2. ,034 0. .971 1, .00 0. ,00 H ATOMO 154 1HD1 LEU A 12 11. .537 1. ,259 1. .290 1. .00 0. ,00 H ATOMO 155 2HD1 LEU A 12 10. .886 -0. ,184 0. .514 1. .00 0. ,00 H ATOMO 156 3HD1 LEU A 12 10, .169 0. ,412 2. .011 1. .00 0. ,00 H ATOMO 157 1HD2 LEU A 12 10, .674 2. ,330 -1. .453 1. .00 0. ,00 H ATOMO 158 2HD2 LEU A 12 11, .347 2. 887 0. .080 1. .00 0. 00 H ATOMO 159 3HD2 LEU A 12 9. .820 3. 550 -0. ,505 1. .00 0. 00 H ATOMO 160 N ASN A 13 8, .698 -1. 415 1. B91 1. .00 0. 00 N ATOMO 161 CA ASN A 13 9. ,387 -2. 468 2. 626 1. ,00 0. 00 c ATOMO 162 C ASN A 13 8. .409 -3. 387 3. 361 1. 00 0. 00 c ATOMO 163 0 ASN A 13 8. .824 -4. 207 4. 180 1. 00 0. 00 0 ATOMO 164 CB ASN A 13 10. ,368 -1. 853 3. 627 1. 00 0. 00 c ATOMO 165 CG ASN A 13 9. ,684 -0. 926 4. 612 1. 00 0. 00 c ATOMO 166 OD1 ASN A 13 9. 352 0. 213 4. 282 1. 00 0. 00 o ATOMO 167 ND2 ASN A 13 9. 470 -1. 410 5. 830 1. 00 0. 00 N ATOMO 168 H ASN A 13 8.286 -0.682 2.388 1.00 0.00 H ATOMO 169 HA ASN A 13 9 .944 -3 .055 1 .913 1 .00 0 .00 H ATOMO 170 1HB ASN A 13 10 .849 -2 .645 4 .181 1 .00 0 .00 H ATOMO 171 2HB ASN A 13 11 .116 -1 .290 3 .088 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 9 .761 -2 .326 6 .021 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 9 .030 -0 .832 6 .487 1 .00 0 .00 H ATOMO 174 N THR A 14 7 .113 -3 .256 3 .072 1 .00 0 .00 N ATOMO 175 CA THR A 14 6 .105 -4 .084 3 .720 1 .00 0 .00 c ATOMO 176 C THR A 14 5 .504 -5 .082 2 .736 1 .00 0 .00 c ATOMO 177 0 THR A 14 5 .911 -5 .152 1 .576 1 .00 0 .00 o ATOMO 178 CB THR A 14 5 .005 -3 .206 4.316 1 .00 0 .00 c ATOMO 179 OG1 THR A 14 4 .435 -2 .372 3 .324 1 .00 0 .00 0 ATOMO 180 CG2 THR A 14 5 .496 -2 .318 5 .437 1 .00 0 .00 c ATOMO 181 H THR A 14 6 .828 -2 .592 2 .416 1 .00 0 .00 H ATOMO 182 HA THR A 14 6 .588 -4 .629 4 .516 1 .00 0 .00 H ATOMO 183 HB THR A 14 4 .227 -3 .842 4 .714 1 .00 0 .00 H ATOMO 184 HG1 THR A 14 3 .496 -2 .556 3 .252 1 .00 0 .00 H ATOMO 185 1HG2 THR A 14 4 .693 -1 .675 5 .765 1 .00 0 .00 H ATOMO 186 2HG2 THR A 14 6 .319 -1 .714 5 .083 1 .00 0 .00 H ATOMO 187 3HG2 THR A 14 5 .829 -2 .930 6 .263 1 .00 0 .00 H ATOMO 188 N GLN A 15 4 .533 -5 .854 3 .211 1 .00 0 .00 N ATOMO 189 CA GLN A 15 3 .869 -6 .853 2 .385 1 .00 0 .00 c ATOMO 190 C GLN A 15 3 .108 -6 .196 1 .232 1 .00 0 .00 c ATOMO 191 O GLN A 15 2 .724 -5 .031 1 .322 1 .00 0 .00 0 ATOMO 192 CB GLN A 15 2 .908 -7 .679 3 .241 1 .00 0 .00 c ATOMO 193 CG GLN A 15 3 .537 -8 .221 4 .514 1 .00 0 .00 c ATOMO 194 CD GLN A 15 4 .807 -9 .005 .249 1 .00 0 .00 c ATOMO 195 OE1 GLN A 15 4 .787 -10 .032 3 .571 1 .00 0 .00 o ATOMO 196 NE2 GL A 15 5 .923 -8 .524 4, .785 1 .00 0 .00 N ATOMO 197 H GLN A 15 4 .257 -5 .749 4, .143 1 .00 0 .00 H ATOMO 198 HA GLN A 15 4 .627 -7 .505 1, .978 1 .00 0 .00 H ATOMO 199 1HB GLN A 15 2 .067 -7 .061 3. .516 1 .00 0 .00 H ATOMO 200 2HB GLN A 15 2 .553 -8 .513 2, .658 1 .00 0 .00 H ATOMO 201 1HG GLN A 15 3 .773 -7 .392 5, .166 1 .00 0 .00 H ATOMO 202 2HG GLN A 15 2 .826 -8. .870 5. ,004 1 .00 0 .00 H ATOMO 203 1HE2 GLN A 15 5 .864 -7 .701 5, .314 1 .00 0 .00 H ATOMO 204 2HE2 GLN A 15 6, .759 -9 .011 . .630 1 .00 0 .00 H ATOMO 205 N PRO A 16 2 .873 -6 .936 0. .126 1 .00 0 .00 N ATOMO 206 CA PRO A 16 2 .150 -6 .402 -1. ,035 1 .00 0 .00 c ATOMO 207 C PRO A 16 0. .705 -6, .054 -0. ,699 1 .00 0, .00 c ATOMO 208 O PRO A 16 0. .285 -6, .153 0. ,454 1 .00 0, .00 o ATOMO 209 CB PRO A 16 2. .202 -7, .545 -2. .056 1 .00 0, .00 c ATOMO 210 CG PRO A 16 2. .446 -8. .773 -1. 250 1, .00 0. .00 c ATOMO 211 CD PRO A 16 3. .285 -8. .339 -0. 082 1, .00 0, .00 c ATOMO 212 HA PRO A 16 2. .641 -5. ,530 -1. 440 1. .00 0, .00 H ATOMO 213 1HB PRO A 16 1. .262 -7. .599 -2. 585 1. .00 0. .00 H ATOMO 214 2HB PRO A 16 3, ,005 -7, .367 -2. 756 1, .00 0, .00 H ATOMO 215 1HG PRO A 16 1. .506 -9. .179 -0. 906 1. .00 0. .00 H ATOMO 216 2HG PRO A 16 2. .977 -9. .502 -1. 842 1, .00 0, .00 H ATOMO 217 1HD PRO A 16 3. .062 -8. .940 0. 786 1, .00 0, .00 H ATOMO 218 2HD PRO A 16 4. 335 -8. ,400 -0. 328 1. .00 0. .00 H ATOMO 219 N CYS A 17 -0. .051 -5. ,643 -1. 711 1, .00 0. .00 N ATOMO 220 CA CYS A 17 -1. 449 -5. ,276 -1. 518 1. ,00 0. ,00 c ATOMO 221 C CYS A 17 -2. 369 -6. ,475 -1. 730 1. ,00 0. ,00 c ATOMO 222 0 CYS A 17 -1. 922 -7. .568 -2. 077 1, ,00 0. ,00 o ATOMO 223 CB CYS A 17 -1. 841 -4. 142 -2. 467 1. ,00 0. ,00 c ATOMO 224 SG CYS A 17 -0. 773 -2. ,670 -2. 354 1. .00 0. .00 s ATOMO 225 H CYS A 17 0.341 -5.581 -2.607 1.00 0.00 H ATOMO 226 HA CYS A 17 -1. 563 -4 .932 -0. 501 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1. 798 -4 .501 -3. 485 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2. 851 -3 .832 -2. 243 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3. 657 -6 .252 -1. 508 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4. 665 -7 .293 -1. 657 1 .00 0. 00 C ATOMO 231 C CYS A 18 -5. 454 -7 .103 -2. 947 1 .00 0. 00 c ATOMO 232 O CYS A 18 -5. 368 -6 .059 -3. 592 1 .00 0. 00 o ATOMO 233 CB CYS A 18 -5. 619 -7 .272 -0. 460 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4. 788 -7 .359 1. 160 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3. 939 -5 .358 -1. 228 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4. 160 -8 .247 -1. 690 1 .00 0. .00 H ATOMO 237 1HB CYS A 18 -6. 190 -6 .356 -0. 484 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6. 294 -8 .109 -0. 529 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6. 225 -8 .119 -3. 320 1 .00 0, 00 N ATOMO 240 CA AS A 19 -7. .034 -8 .065 -4. 537 1 .00 0. .00 c ATOMO 241 C ASP A 19 -6. 176 -7 .731 -5. 755 1 .00 0. 00 c ATOMO 242 O ASP A 19 -6. 644 -7 .102 -6. 704 1 .00 0. 00 0 ATOMO 243 CB ASP A 19 -8. 148 -7 .027 -4. 385 1 .00 0. 00 c ATOMO 244 CG ASP A 19 -9. ,247 -7 .491 -3. 450 1 .00 0. .00 c ATOMO 245 ODl ASP A 19 -9. 016 -7 .507 -2. 223 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -10. 340 -7 .840 -3. 945 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6. 252 -8 .924 -2. 764 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7. 478 -9 .038 -4. 682 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 730 -6 .114 -3. 992 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8. 583 -6 .832 -5. 354 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4. 915 -8 .153 -5. 716 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3. 983 -7 .899 -6. 809 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3. 721 -6 .405 -6. 965 1 .00 0. 00 c ATOMO 254 O ASP A 20 -3. 573 -5 .904 -8. 080 1 .00 0. 00 o ATOMO 255 CB ASP A 20 -4. 520 -8 .478 -8. 121 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -3. 412 -8 .952 -9. 041 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -3. 591 -8 .878 -10. 275 1 .00 0. 00 0 ATOMO 258 OD2 ASP A 20 -2. 363 -9 .398 -8. 527 1 .00 0. 00 o ATOMO 259 H ASP A 20 -4. 603 -8 .647 -4. 929 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -3. 052 -8 .388 -6. 565 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -5. 163 -9 .318 -7. 901 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -5. 090 -7 .719 -8. 635 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3. 660 -5 .700 -5. 840 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3. 410 -4 .263 -5. 853 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1. 923 -3 .971 -5. 998 1 .00 0. 00 c ATOMO 266 O ALA A 21 -1. 101 -4 .885 -6. 057 1 .00 0. 00 o ATOMO 267 CB ALA A 21 -3. 950 -3 .613 -4. 586 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3. 783 -6 .158 -4. 983 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3. 934 -3 .841 -6. 698 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3. 967 -4 .339 -3. 789 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4. 950 -3 .250 -4. 765 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3. 312 -2 .786 -4. 304 1 .00 0. 00 H ATOMO 273 N THR A 22 -1. 5B5 -2 .689 -6. 053 1, .00 0. 00 N ATOMO 274 CA THR A 22 -0. 201 -2 .268 -6. 188 1, .00 0. 00 c ATOMO 275 C THR A 22 Q. 073 -1 .039 -5. 330 1 .00 0. 00 c ATOMO 276 O THR A 22 -0. 756 -0 .132 -5. 241 1, .00 0. 00 0 ATOMO 277 CB THR A 22 0. 115 -1 .966 -7. 652 1. .00 0. 00 c ATOMO 278 OG1 THR A 22 -0. 136 -3 .099 -8. 465 1, .00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 549 -1 .548 -7. 880 1, .00 0. 00 c ATOMO 280 H THR A 22 -2. 285 -2 .007 -6. 001 1. .00 0. 00 H ATOMO 281 HA THR A 22 0. 428 -3 .078 -5. 851 1, .00 0. 00 H ATOMO 282 HB THR A 22 -0.521 -1.159 -7.988 1.00 0.00 H ATOMO 283 HG1 THR A 22 0. 277 -3. 872 -8 .073 1 .00 0.00 H ATOMO 284 1HG2 THR A 22 1. 594 -0. 477 -8 .012 1 .00 0.00 H ATOMO 285 2HG2 THR A 22 1. 931 -2. 036 -8 .763 1 .00 0.00 H ATOMO 286 3HG2 THR A 22 2. 144 -1. 829 -7 .024 1 .00 0.00 H ATOMO 287 N CYS A 23 1. 244 -1. 013 -4 .702 1 .00 0.00 N ATOMO 288 CA CYS A 23 1. 635 0. 108 -3 .857 1 .00 0.00 c ATOMO 289 C CYS A 23 2. 120 1. 263 -4 .731 1 .00 0.00 c ATOMO 290 0 CYS A 23 3. 150 1. 156 -5 .397 1 .00 0.00 0 ATOMO 291 CB CYS A 23 2. 733 -0. 331 -2 .886 1 .00 0.00 c ATOMO 292 SG CYS A 23 2. 894 0. 717 -1 .404 1 .00 0.00 S ATOMO 293 H CYS A 23 1. 865 -1. 764 -4 .817 1 .00 0.00 H ATOMO 294 HA CYS A 23 0. 768 0. 428 -3 .298 1 .00 0.00 H ATOMO 295 1HB CYS A 23 2. ,526 -1. 337 -2 .552 1 .00 0.00 H ATOMO 296 2HB CYS A 23 3. ,684 -0. 318 -3 .401 1 .00 0.00 H ATOMO 297 N THR A 24 1. ,359 2. 354 -4 .749 1 .00 0.00 N ATOMO 298 CA THR A 24 1. 698 3. 510 -5 .568 1 .00 0.00 c ATOMO 299 C THR A 24 1. ,867 4. 775 -4 .729 1 .00 0.00 c ATOMO 300 0 THR A 24 1. 315 4. 902 -3 .636 1 .00 0.00 0 ATOMO 301 CB THR A 24 0. 614 3. 728 -6 .633 1 .00 0.00 c ATOMO 302 OG1 THR A 24 0. 629 2. 675 -7 .581 1 .00 0.00 o ATOMO 303 CG2 THR A 24 0. 754 5. 032 -7 .396 1 .00 0.00 c ATOMO 304 H THR A 24 0. 540 2. 377 -4 .217 1 .00 0.00 H ATOMO 305 HA THR A 24 2. 634 3. 299 -6 .064 1 .00 0.00 H ATOMO 306 HB THR A 24 -0. 352 3. 731 -6 .150 1 .00 0.00 H ATOMO 307 HG1 THR A 24 -0. 230 2. 247 -7 .597 1 .00 0.00 H ATOMO 308 1HG2 THR A 24 0. 731 5. 858 -6 .698 1 .00 0.00 H ATOMO 309 2HG2 THR A 24 -0. 059 5. 130 -8 .097 1 .00 0.00 H ATOMO 310 3HG2 THR A 24 1. 694 5. 038 -7 .927 1 .00 0.00 H ATOMO 311 N GLN A 25 2. 623 5. 714 -5 .285 1 .00 0.00 N ATOMO 312 CA GLN A 25 2. 872 6. 995 -4 .650 1 .00 0.00 c ATOMO 313 C GLN A 25 1. 642 7. 892 -4 .778 1 .00 0.00 c ATOMO 314 0 GLN A 25 1. 085 8. 048 -5 .865 1 .00 0.00 0 ATOMO 315 CB GLN A 25 4. 089 7. 662 -5 .299 1 .00 0.00 c ATOMO 316 CG GLN A 25 4. 345 9. 074 -4 .807 1 .00 0.00 c ATOMO 317 CD GLN A 25 5. 745 9. 560 -5 .124 1 .00 0.00 c ATOMO 318 OE1 GLN A 25 6. 732 9. 003 -4 .644 1 .00 0.00 o ATOMO 319 NE2 GLN A 25 5. 839 10. 607 -5 .936 1 .00 0.00 N ATOMO 320 H GLN A 25 3. 011 5. 543 -6 .166 1 .00 0.00 H ATOMO 321 HA GLN A 25 3. 078 6. 824 -3 .606 1 .00 0.00 H ATOMO 322 1HB GLN A 25 4. 965 7. 067 -5 .088 1 .00 0.00 H ATOMO 323 2HB GLN A 25 3. 937 7. 698 -6 .367 1 .00 0.00 H ATOMO 324 1HG GLN A 25 3. 633 9. 734 -5 .279 1 .00 0.00 H ATOMO 325 2HG GLN A 25 4. 201 9. 096 -3 .739 1, .00 0.00 H ATOMO 326 1HE2 GLN A 25 5. 010 11. 001 -6 .281 1, .00 0.00 H ATOMO 327 2HE2 GLN A 25 6. 733 10. 943 -6 .158 1 .00 0.00 H ATOMO 328 N GLU A 26 1. 225 8. 476 -3 .663 1 .00 0.00 N ATOMO 329 CA GLU A 26 0. 064 9. 356 -3 .647 1, .00 0.00 c ATOMO 330 C GLU A 26 0. 271 10. 511 -2 .675 1, .00 0.00 c ATOMO 331 0 GLU A 26 1. 334 10. 645 -2 .069 1, .00 0.00 0 ATOMO 332 CB GLU A 26 -1. 191 8. 570 -3 .266 1, .00 0.00 c ATOMO 333 CG GLU A 26 -1. 468 7. 386 -4 .179 1. .00 0.00 c ATOMO 334 CD GLU A 26 -2. 797 6. 714 -3, .885 1 , .00 0.00 c ATOMO 335 OE1 GLU A 26 -3. 031 5. 608 -4 .415 1. .00 0.00 o ATOMO 336 OE2 GLU A 26 -3. 603 7. 293 -3 .126 1, .00 0.00 o ATOMO 337 H GLU A 26 1 . 713 8. 311 -2 .829 1. .00 0.00 H ATOMO 338 HA GLU A 26 -0. 063 9. 758 -4 .640 1. .00 0.00 H ATOMO 339 1HB GLU A 26 -1.078 8.201 -2.257 1.00 0.00 H ATOMO 340 2HB GLü A 26 -2. 042 9. 233 -3. 303 1. 00 0. 00 H ATOMO 341 1HG GLU A 26 -1. 477 7. 732 -5. 202 1. 00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 679 6. 659 -4. 054 1. 00 0. 00 H ATOMO 343 N ARG A 27 -0. 753 11. 344 -2. 534 1. 00 0. 00 N ATOMO 344 CA ARG A 27 -0. 688 12. 493 -1. 636 1. 00 0. 00 c ATOMO 345 C ARG A 27 -1. 712 12. 367 -0. 512 1. 00 0. 00 C ATOMO 346 0 ARG A 27 -2. 828 11. 892 -0. 727 1. 00 0. 00 0 ATOMO 347 CB ARG A 27 -0. 925 13. 788 -2. 414 1. 00 0. 00 C ATOMO 348 CG ARG A 27 0. 307 14. 280 -3. 161 1. 00 0. 00 C ATOMO 349 CD ARG A 27 0. 471 15. 788 -3. 046 1. 00 0. 00 C ATOMO 350 NE ARG A 27 1. 869 16. 175 -2. 870 1. 00 0. 00 N ATOMO 351 CZ ARG A 27 2. 801 16. 063 -3. 818 1. 00 0. 00 C ATOMO 352 NH1 ARG A 27 2. 494 15. 574 -5. 014 1. 00 0. 00 N ATOMO 353 NH2 ARG A 27 4. 046 16. 442 -3. 566 1. 00 0. 00 N ATOMO 354 H ARG A 27 -1. 573 11. 183 -3. 046 1. 00 0. 00 H ATOMO 355 HA ARG A 27 0. 301 12. 520 -1. 202 1. 00 0. 00 H ATOMO 356 1HB ARG A 27 -1. 713 13. 624 -3. 133 1. 00 0. 00 H ATOMO 357 2HB ARG A 27 -1. 233 14. 558 -1. 723 1. 00 0. 00 H ATOMO 358 1HG ARG A 27 1. 182 13. 801 -2. 746 1. 00 0. 00 H ATOMO 359 2HG ARG A 27 0. 211 14. 015 -4. 204 1. 00 0. 00 H ATOMO 360 1HD ARG A 27 0. 091 16. 247 -3. 946 1. 00 0. 00 H ATOMO 361 2HD ARG A 27 -0. 100 16. 136 -2. 197 1. 00 0. 00 H ATOMO 362 HE ARG A 27 2. 129 16. 539 -1. 999 1. 00 0. 00 H ATOMO 363 1HH1 ARG A 27 1. 558 15. 286 -5. 214 1. 00 0. 00 H ATOMO 364 2HH1 ARG A 27 3. 201 15. 496 -5. 717 1. 00 0. 00 H ATOMO 365 1HH2 ARG A 27 4. 285 16. 810 -2. 667 1. 00 0. 00 H ATOMO 366 2HH2 ARG A 27 4. 747 16. 359 -4. 275 1. 00 0. 00 H ATOMO 367 N ASN A 28 -1. 325 12. 792 0. 686 1. 00 0. 00 N ATOMO 368 CA ASN A 28 -2. 209 12. 724 1. 844 1. 00 0. 00 C ATOMO 369 C ASN A 28 -2. 892 14. 066 2. 093 1. 00 0. 00 C ATOMO 370 O ASN A 28 -2. 760 14. 997 1. 298 1. 00 0. 00 0 ATOMO 371 CB ASN A 28 -1. 423 12. 293 3. 086 1. 00 0. 00 c ATOMO 372 CG ASN A 28 -0. 367 13. 304 3. 490 1. 00 0. 00 c ATOMO 373 OD1 ASN A 28 -0. 140 14. 293 2- 794 1. 00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 287 13. 059 4. 619 1. 00 0. 00 N ATOMO 375 H ASN A 28 -0. 423 13. 158 0. 794 1. 00 0. 00 H ATOMO 376 HA ASN A 28 -2. 967 11. 984 1. 636 1. 00 0. 00 H ATOMO 377 1HB ASN A 28 -2. 105 12. 166 3. 911 1. 00 0. 00 H ATOMO 378 2HB ASN A 28 -0. 933 11. 354 2. 882 1. 00 0. 00 H ATOMO 379 1HD2 ASN A 28 0. 054 12. 250 5. 122 1. 00 0. 00 H ATOMO 380 2HD2 ASN A 28 0. 975 13. 696 4. 903 1. 00 0. 00 H ATOMO 381 N GLU A 29 -3. 620 14. 157 3. 201 1. 00 0. 00 N ATOMO 382 CA GLU A 29 -4. 324 15. 384 3. 556 1. 00 0. 00 c ATOMO 383 C GLU A 29 -3. 341 16. 527 3. 785 1. 00 0. 00 c ATOMO 384 O GLU A 29 -3. 640 17. 684 3. 488 1. 00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 171 15. 166 4. 811 1. 00 0. 00 c ATOMO 386 CG GLU A 29 -6. 548 14. 593 4. 522 1. 00 0. 00 c ATOMO 387 CD GLU A 29 -7. 299 14. 217 5. 786 1. 00 0. 00 c ATOMO 388 OE1 GLU A 29 -7. 670 15. 133 6. 550 1. 00 0. 00 o ATOMO 389 OE2 GLU A 29 -7. 516 13. 007 6. 009 1. 00 0. 00 0 ATOMO 390 H GLU A 29 -3. 686 13. 380 3. 794 1. 00 0. 00 H ATOMO 391 HA GLU A 29 -4. 975 15. 643 2. 734 1. 00 0. 00 H ATOMO 392 1HB GLU A 29 -4. 651 14. 484 5. 468 1. 00 0. 00 H ATOMO 393 2HB GLU A 29 -5. 296 16. 112 5. 316 1. 00 0. 00 H ATOMO 394 1HG GLU A 29 -7. 126 15. 330 3. 986 1. 00 0. 00 H ATOMO 395 2HG GLU A 29 -6. 436 13. 709 3. 911 1. 00 0. 00 H ATOMO 396 N ASN A 30 -2.169 16.197 4.315 1.00 0.00 N ATOMO 397 CA ASN A 30 -1. 143 17 .198 4. 584 1 .00 0 .00 c ATOMO 398 C ASN A 30 -0. 500 17 .684 3. 288 1 .00 0 .00 c ATOMO 399 0 ASN A 30 -0. 047 18 .824 3. 198 1 .00 0 .00 0 ATOMO 400 CB ASN A 30 -0. 073 16 .626 5. 514 1 .00 0 .00 c ATOMO 401 CG ASN A 30 -0. 667 15 .984 6. 752 1 .00 0 .00 c ATOMO 402 OD1 ASN A 30 -1. 374 14 .979 6. 666 1 .00 0 .00 0 ATOMO 403 ND2 ASN A 30 -0. 384 16 .563 7. 912 1 .00 0 .00 N ATOMO 404 H ASN A 30 -1. 989. 15 .258 4. 530 1 .00 0 .00 H ATOMO 405 HA ASN A 30 -1. 618 18 .036 5. 071 1 .00 0 .00 H ATOMO 406 1HB ASN A 30 0. 496 15 .878 4. 981 1 .00 0 .00 H ATOMO 407 2HB ASN A 30 0. 588 17 .421 5. 824 1 .00 0 .00 H ATOMO 408 1HD2 ASN A 30 0. 186 17 .361 7. 905 1 .00 0 .00 H ATOMO 409 2HD2 ASN A 30 -0. 754 16 .170 8. 730 1 .00 0 .00 H ATOMO 410 N GLY A 31 -0. 465 16 .812 2. 284 1 .00 0 .00 N ATOMO 411 CA GLY A 31 0. 125 17 .176 1. 008 1 .00 0 .00 c ATOMO 412 C GLY A 31 1. 507 16 .578 0. 796 1 .00 0 .00 c ATOMO 413 O GLY A 31 2. 218 16 .971 -0. 129 1 .00 0 .00 0 ATOMO 414 H GLY A 31 -0. 841 15 .913 2. 411 1 .00 0 .00 H ATOMO 415 1HA GLY A 31 -0. 525 16 .836 0. 216 1 .00 0 .00 H ATOMO 416 2HA GLY A 31 0. 200 18 .252 0. 957 1 .00 0 .00 H ATOMO 417 N HIS A 32 1. 891 15 .625 1. 645 1 .00 0 .00 N ATOMO 418 CA HIS A 32 3. 193 14 .982 1. 527 1 .00 0 .00 c ATOMO 419 C HIS A 32 3. 075 13 .678 0. 743 1 .00 0 .00 c ATOMO 420 O HIS A 32 1. 998 13. .088 0. 662 1 .00 0 .00 o ATOMO 421 CB HIS A 32 3. 780. . 14 .716 2. 919 1 .00 0 .00 c ATOMO 422 CG HIS A 32 5. 025 15 .500 3. 201 1 .00 0 .00 c ATOMO 423 ND1 HIS A 32 5. 144 16 .368 4. 266 1 .00 0 .00 N ATOMO 424 CD2 HIS A 32 6. 211 15 .544 2. 548 1 .00 0 .00 c ATOMO 425 CE1 HIS A 32 6. 348 16 .911 4. 256 1 .00 0 .00 c ATOMO 426 NE2 HIS. A 32 7. 015 16 .428 3. 225 1 .00 0 .00 N ATOMO 427 H HIS A 32 1. 287 15 .346 2. 361 1 .00 0 .00 H ATOMO 428 HA HIS A 32 3. 847 15 .653 0. 991 1 .00 0 .00 H ATOMO 429 1HB HIS A 32 3. 048 14 .981 3. 666 1 .00 0 .00 H ATOMO 430 2HB HIS A 32 4. 020 13 .667 3. 015 1 .00 0 .00 H ATOMO 431 HD1 HIS A 32 4. 448 16 .557 4. 930 1 .00 0 .00 H ATOMO 432 HD2 HIS A 32 6. 476 14 .987 1. 660 1 .00 0 .00 H ATOMO 433 HE1 HIS A 32 6. 724 17 .627 4. 972 1 .00 0 .00 H ATOMO 434 HE2 HIS A 32 7. 899 16 .732 2. 931 1 .00 0 .00 H ATOMO 435 N THR A 33 4. 185 13 .234 0. 161 1 .00 0 .00 N ATOMO 436 CA THR A 33 4. 190 12 .002 -0. 618 1 .00 0 .00 c ATOMO 437 C THR A 33 3. 966 10 .789 0. 277 1 .00 0 .00 c ATOMO 438 0 THR A 33 4. 576 10 .664 1. 339 1 .00 0 .00 0 ATOMO 439 CB THR A 33 5. 508 11 .848 -1. 377 1 .00 0 .00 c ATOMO 440 OG1 THR A 33 5. 786 13 .006 -2. 144 1 .00 0 .00 0 ATOMO 441 CG2 THR A 33 5. 514 10 .660 -2. 316 1 ,00 0 .00 c ATOMO 442 H THR A 33 5. 014 13 .747 0. 255 1 .00 0 .00 H ATOMO 443 HA THR A 33 3. 381 12 .060 -1. 331 1 .00 0 .00 H ATOMO 444 HB THR A 33 6. 309 11 .711 -0. 664 1 .00 0 .00 H ATOMO 445 HG1 THR A 33 6. 571 13 .437 -1. 800 1 .00 0 .00 H ATOMO 446 1HG2 THR A 33 6. 525 10 .456 —2. 635 1 .00 0 .00 H ATOMO 447 2HG2 THR A 33 4. 902 10 .881 -3. 178 1 .00 0 .00 H ATOMO 448 3HG2 THR A 33 5. 116 9 .795 -1. 806, 1 .00 0 .00 H ATOMO 449 N VAL A 34 3. 089 9 .897 -0. 165 1 .00 0 .00 N ATOMO 450 CA VAL A 34 2. 778 8 .688 0. 583 1 .00 0 .00 c ATOMO 451 C VAL A 34 2. 618 7 .502 -0. 357 1 .00 0 .00 c ATOMO 452 o VAL A 34 2. 648 7 .657 -1. 576 1 .00 0 .00 0 ATOMO 453 CB VAL A 34 1.489 8.852 1.411 1.00 0.00 c ATOMO 454 CG1 VAL A 34 1 .744 9. 727 2. 628 1 .00 0.00 c ATOMO 455 CG2 VAL A 34 0 .373 9. ,431 0. 556 1 .00 0.00 c ATOMO 456 H VAL A '34 2 .639 10. 056 -1. 022 1 .00 0.00 H ATOMO 57 HA VAL A 34 3 .596 8. 489 1. ,260 1 .00 0,00 H ATOMO 45T HB VAL A 34 1 .180 7. 877 1. ,756 1 .00 0.00 H ATOMO 459 1HG1 VAL A 34 1 .740 10. ,765 2. 332 1 .00 0.00 H ATOMO 460 2HG1 VAL A 34 2 .705 9. ,479 3. ,055 1 .00 0.00 H ATOMO 461 3HG1 VAL A 34 0 .970 9. ,559 3. ,361 1 .00 0.00 H ATOMO 462 1HG2 VAL A 34 0 .573 10. ,474 0. ,359 1 .00 0.00 H ATOMO 463 2HG2 VAL A 34 -0 .567 9. ,337 1. ,079 1 .00 0.00 H ATOMO 464 3HG2 VAL A 34 0 .319 8. .892 -0. ,380 1 .00 0.00 H ATOMO 465 N TYR A 35 2 .450 6. 319 0. 215 1 .00 0.00 N ATOMO 466 CA TYR A 35 2 .285 5. ,104 -0. ,576 1 .00 0.00 c ATOMO 467 C TYR A 35 0 .964 4. .420 -0. ,237 1 .00 0.00 c ATOMO 468 O TYR A 35 0 .700 4. 103 0. 922 1 .00 0.00 o ATOMO 469 CB TYR A 35 3 .453 4. ,149 -0. 328 1 .00 0.00 c ATOMO 470 CG TYR A 35 4 .810 4. 780 -0. 554 1 .00 0.00 c ATOMO 471 CD1 TYR A 35 5 .247 5. ,089 -1. 835 1 .00 0.00 c ATOMO 472 CD2 TYR A 35 5 .653 5. 062 0. 514 1 .00 0.00 c ATOMO 473 CE1 TYR A 35 6 .486 5. ,664 -2. 047 1 .00 0.00 c ATOMO 474 CE2 TYR A 35 6 .893 5. ,638 0. 311 1 .00 0.00 c ATOMO 475 CZ TYR A 35 7 .305 5. ,937 -0. 971 1 .00 0.00 c ATOMO 476 OH TYR A 35 8 .539 6. ,509 -1. 178 1 .00 0.00 o ATOMO 477 H TYR A 35 2 .438 6. 261 1. 193 1 .00 0.00 H ATOMO 478 HA TYR A 35 2 .274 5. 385 -1. 619 1 .00 0.00 H ATOMO 479 1HB TYR A 35 3 .416 3. 802 0. 693 1 .00 0.00 H ATOMO 480 2HB TYR A 35 3 .364 3. 306 -0. 994 1 .00 0.00 H ATOMO 481 HD1 TYR A 35 4 .605 4. 875 -2. 676 1 .00 0.00 H ATOMO 482 HD2 TYR A 35 5 .328 4. 827 1. 516 1 .00 0.00 H ATOMO 483 HE1 TYR A 35 6 .809 5. 899 -3. 050 1 .00 0.00 H ATOMO 484 HE2 TYR A 35 7 .534 5. 851 1. 153 1 .00 0.00 H ATOMO 485 HH TYR A 35 8 .999 6. 037 -1. 876 1 .00 0.00 H ATOMO 486 N TYR A 36 0 .128 4. 205 -1. 253 1 .00 0.00 N ATOMO 487 CA TYR A 36 -1 .171 3. 569 -1. 047 1 .00 0.00 c ATOMO 488 C TYR A 36 -1 .365 2. 372 -i. 974 1 .00 0.00 c ATOMO 489 0 TYR A 36 -0 .613 2. 181 -2. 929 1 .00 0.00 o ATOMO 490 CB TYR A 36 -2 .295 4. 584 -1. 266 1 .00 0.00 c ATOMO 491 CG TYR A 36 -2 .707 5. 312 -0. 007 1 .00 0.00 c ATOMO 492 CD1 TYR A 36 -1 .839 6. 194 0. 626 1.00 0.00 c ATOMO 493 CD2 TYR A 36 -3 .966 5. 119 0. 548 1 .00 0.00 c ATOMO 494 CE1 TYR A 36 -2 .214 6. 861 1. 776 1 .00 0.00 c ATOMO 495 CE2 TYR A 36 -4 .347 5. 782 1. 699 1 .00 0.00 c ATOMO 496 CZ TYR A 36 -3 .468 6. 652 2. 309 1 .00 0.00 c ATOMO 497 OH TYR A 36 -3 .844 7. 314 3. 455 1 .00 0.00 o ATOMO 498 H TYR A 36 0 .386 4. 488 -2. 157 1 .00 0.00 H ATOMO 499 HA TYR A 36 -1 .209 3. 224 -0. 027 1 .00 0.00 H ATOMO 500 1HB TYR A 36 -1 .968 5. 323 -1. 983 1 .00 0.00 H ATOMO 501 2HB TYR A 36 -3 .162 4. 072 -1. 654 1, .00 0.00 H ATOMO 502 HD1 TYR A 36 -0 .857 6. 356 0. 206 1 .00 0.00 H ATOMO 503 HD2 TYR A 36 -4 .652 4. 437 0. 069 1, .00 0.00 H ATOMO 504 HE1 TYR A 36 -1 .525 7. 542 2. 254 1, .00 0.00 H ATOMO 505 HE2 TYR A 36 -5 .330 5. 619 2. 116 1, .00 0.00 H ATOMO 506 HH TYR A 36 -3 .540 8. 224 3. 414 1, .00 0.00 H ATOMO 507 N CYS A 37 -2 .380 1. 568 -1. 673 1, .00 0.00 N ATOMO 508 CA CYS A 37 -2 .686 0. 377 -2. 465 1, .00 0.00 c ATOMO 509 C CYS A 37 -3 .849 0. 639 -3. 415 1, .00 0.00 c ATOMO 510 0 CYS A 37 -4.861 1.225 -3.030 1.00 0.00 0 ATOMO 511 CB CYS A 37 -3 .027 -0 .800 -1 .546 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1 .569 -1 .609 -0 .816 1 .00 0 .00 S ATOMO 513 H CYS A 37 -2 .932 1 .777 -0 .889 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1 .812 0 .126 -3 .047 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3 .654 -0 .452 -0 .739 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3 .565 -1 .545 -2 .110 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3 .693 0 .204 -4 .661 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 .724 0 .390 -5 .672 1 .00 0 .00 c ATOMO 519 C ARG A 38 -5 .002 -0 .914 -6 .408 1 .00 0 .00 c ATOMO 520 0 ARG A 38 -4 .086 -1 .568 -6 .907 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4 .299 1 .471 -6 .667 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -4 .057 2 .826 -6 .024 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5 .365 3 .525 -5 .693 1 .00 0 .00 c ATOMO 524 NE ARG A 38 -5 .267 4 .974 -5 .861 1 .00 0 .00 N ATOMO 525 CZ ARG A 38 -6 .243 5 .830 -5 .555 1 .00 0 .00 c ATOMO 526 NH1 ARG A 38 -7 .398 5 .393 -5 .064 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -6 .063 7 .130 -5 .742 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .861 -0 .254 -4 .907 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .625 0 .706 -5 .171 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .387 1 .159 -7 .155 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .075 1 .583 -7 .411 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .495 2 .687 -5 .113 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3, .492 3 .443 -6 .708 1 .00 0 .00 H ATOMO 534 IHD ARG A 38 -6 .136 3 .147 -6, .348 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5, .626 3 .307 -4. .668 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4, .428 5, .330 -6, .222 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7. .545 4 .415 -4. .920 1, .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -8. .123 6 .044 -4. .839 1. .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5. .197 7. .467 -6. .110 1. .00 0, .00 H ATOMO 540 2HH2 ARG A 38 -6. .794 7. .775 -5. .514 1. .00 0. .00 H ATOMO 541 N ALA A 39 -6. .274 -1. .284 -6. ,471 1. .00 0. .00 N ATOMO 542 CA ALA A 39 -6. ,682 -2. .511 -7. .144 1, ,00 0. .00 c ATOMO 543 C ALA A 39 -6. .510 -2. .391 -8. ,654 1. .00 0. .00 c ATOMO 544 0 ALA A 39 -6. ,389 -3. .440 -9. .320 1. ,00 0. .00 0 ATOMO 545 CB ALA A 39 -8. 125 -2. .848 -6. ,800 1. ,00 0. .00 c ATOMO 546 OXT ALA A 39 -6. 498 -1. .248 -9. 159 1. .00 0. .00 0 ATOMO 547 H ALA A 39 -6. .955 -0. ,717 -6. 052 1. ,00 0. ,00 H ATOMO 548 HA ALA A 39 -6. 054 -3. ,312 -6. 783 1. ,00 0. .00 H ATOMO 549 1HB ALA A 39 -8.. 162 -3. 336 -5. 839 1. ,00 0. ,00 H ATOMO 550 2HB ALA A 39 -8. 530 -3. ,507 -7. 555 1. .00 0. ,00 H ATOMO 551 HB ALA A 39 -8. 709 -1. 939 -6. 766 1. 00 0. 00 H TER 552 ALA A 39 ENDMDL MODELO 14 ATOMO 1 N GLY A 1 -3. 987 -15. 120 3. 957 1. 00 0. 00 N ATOMO 2 CA GLY A 1 -2. 600 -14. 591 3. 862 1. 00 0. 00 c ATOMO 3 C GLY A 1 -2. 460 -13. 213 4. 478 1. 00 0. 00 c ATOMO 4 O GLY A 1 -3. 360 -12. 742 5. 172 1. 00 0. 00 0 ATOMO 5 1H GLY A 1 -4. 239 -15. 286 4. 953 1. 00 0. 00 H ATOMO 6 2H GLY A 1 -4. 066 -16. 018 3. 438 1. 00 0. 00 H ATOMO 7 3H GLY A 1 -4. 660 -14. 438 3. 551 1. 00 0. 00 H ATOMO 8 1HA GLY A 1 -1. 931 -15. 270 4. 371 1. 00 0. 00 H ATOMO 9 2HA GLY A 1 -2. 318 -14. 538 2. 821 1. 00 0. 00 H ATOMO 10 N SER A 2 -1. 327 -12. 565 4. 224 1. 00 0. 00 N ATOMO 11 CA SER A 2 -1. 070 -11. 232 4. 757 1. 00 0. 00 c ATOMO 12 C SER A 2 -0. 778 -10. 242 3. 634 1. 00 0. 00 c ATOMO 13 0 SER A 2 0.212 -10.378 2.915 1.00 0.00 0 ATOMO 14 CB SER A 2 0 .106 -11 .271 5.736 1 .00 0 .00 c ATOMO 15 OG SER A 2 0 .045 -10 .189 6. .651 1 .00 0 .00 0 ATOMO 16 H SER A 2 -0 .647 -12 .994 3 .663 1 .00 0 .00 H ATOMO 17 HA SER A 2 -1 .955 -10 .909 5 .285 1 .00 0 .00 H ATOMO 18 1HB SER A 2 0 .080 -12 .196 6 .291 1 .00 0 .00 H ATOMO 19 2HB SER A 2 1 .032 -11 .207 5 .185 1 .00 0 .00 H ATOMO 20 HG SER A 2 0 .186 -10 .516 7 .543 1 .00 0 .00 H ATOMO 21 N CYS A 3 -1 .645 -9 .246 3 .490 1 .00 0 .00 N ATOMO 22 CA CYS A 3 -1 .482 -8 .231 2 .458 1 .00 0 .00 c ATOMO 23 C CYS A 3 -2 .125 -6 .919 2 .886 1 .00 0 .00 c ATOMO 24 0 CYS A 3 -2 .872 t6 .871 3 .864 1 .00 0 .00 0 ATOMO 25 CB CYS A 3 -2 .094 -8 .707 1 .136 1 .00 0 .00 c ATOMO 26 SG CYS A 3 -3 .870 -9 .110 1 .232 1 .00 0 .00 s ATOMO 27 H CYS A 3 -2 .413 -9 .188 4 .095 1 .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .423 -8 .070 2 .316 1 .00 0 .00 H ATOMO 29 1HB CYS A 3 -1. .974 -7 .931 0 .395 1 .00 0 .00 H ATOMO 30 2HB CYS A 3 -1 .572 -9 .594 0 .806 1 .00 0 .00 H ATOMO 31 N VAL A 4 -1 .834 -5 .857 2 .147 1 .00 0 .00 N ATOMO 32 CA VAL A 4 -2 .382 -4 .5 6 2 .440 1 .00 0 .00 c ATOMO 33 C VAL A 4 -3 .725 -4 .352 1 .730 1 .00 0 .00 c ATOMO 34 0 VAL A 4 -3 .831 -4 .604 0 .534 1 .00 0 .00 0 ATOMO 35 CB VAL A 4 -1 .401 -3 .444 2 .002 1 .00 0 .00 c ATOMO 36 CG1 VAL A 4 -1 .971 -2 .059 2 .269 1 .00 0 .00 c ATOMO 37 CG2 VAL. A 4 -0 .068 -3 .628 2 .707 1 .00 0 .00 c ATOMO 38 H VAL A 4 -1 .235 -5 .957 1 .380 1 .00 0 .00 H ATOMO 39 HA VAL A 4 -2 .520 -4 .474 3 .506 1 .00 0 .00 H ATOMO 40 HB VAL A 4 -1 .237 -3 .543 0 .940 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1 .187 -1 .324 2 .172 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2 .380 -2 .026 3 .267 1 .00 .0 .00 H ATOMO 43 3HG1 VAL A 4 -2 .751 -1 .850 1, .551 1 .00 0, .00 H ATOMO 44 1HG2 VAL A 4 0 .399 - .537 2 .360 1 .00 0, .00 H ATOMO 45 2HG2 VAL A 4 -÷0 .232 -3 .692 3 .773 1, .00 0, .00 H ATOMO 46 3HG2 VAL A 4 0 .573 -2 .788 2 .490 1, .00 0. .00 H ATOMO 47 N PRO A 5 -4. .774 -3 .893 2, .441 1, .00 0. .00 N ATOMO 48 CA PRO A 5 -6-, .085 -3 .680 i , .828 1, .00 0. .00 c ATOMO 49 C PRO A 5 -6, .059 -2 .54.5 0. .809 1, .00 0. .00 c ATOMO 50 O PRO A 5 -5, .459 -1, .489 1, .045 1. .00 0. .00 o ATOMO 51 CB PRO A 5 -7, .000 -3 .321 3. .009 1. .00 0. .00 c ATOMO 52 CG PRO A 5. -6. .226 -3, .662 4. .239 1. .00 0. ,00 c ATOMO 53 CD PRO A 5 -4. .776 -3 .540 3. .870 1. .00 0. ,00 c ATOMO 54 HA PRO A 5 -6. .446 -4. .581 1. .349 1. .00 0. ,00 H ATOMO 55 1HB PRO A 5 -7. .240 -2, .270 2. ,975 1. ,00 0. ,00 H ATOMO 56 2HB PRO A 5 -7. .910 -3. .901 2. ,948 1. ,00 0. 00 H ATOMO 57 1HG PRO A 5 -6. .470 -2, .968 5. ,031 1. ,00 0. ,00 H ATOMO 58 2HG PRO A. 5 -6. .450 -4, .674 4. 545 1. ,00 0. 00 H ATOMO 59 1HD RO A 5 -4. ,431 -2. .527 4. 019 1. 00 0. 00 H ATOMO 60 2HD PRO A 5 -4. .182 -4. .233 4. ,442 1. 00 0. 00 H ATOMO 61 N VAL A 6 -6. .721 -2. .754 -0. 325 1. 00 0. 00 N ATOMO 62 CA VAL A 6 -6. 775 -1. .745 -1. 365 1. 00 0. 00 c ATOMO 63 C VAL A 6 -7. 370 -0, ,463 -0. 813 1·. 00 0. óo c ATOMO 64 0 VAL A 6 -8. 173 -o. 492 0. 118 1. 00 0. 00 0 ATOMO 65 CB VAL A 6 -7. 585 -2. ,237 -2. 580 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7. 696 -1. .159 -3. 647 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6. 940 -3. ,485 -3. 153 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7. 191 -3. 598 -0. 460 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5. 763 -1. ,549 -1. 688 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8.579 -2.490 -2.249 1.00 0.00 H ATOMO 71 1HG1 VAL A 6 -8 .465 -0 .456 -3 .366 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -7 .951 -1 .616 -4 .592 1 .00 0 .00 H ATOMO 73 3HG1 VAL A 6 -6 .751 -0 .646 -3 .737 1 .00 0 .00 H ATOMO 74 1HG2 VAL A 6 -5 .867 -3 .411 -3 .051 1 .00 0 .00 H ATOMO 75 2HG2 VAL A 6 -7 .198 -3 .574 -4 .198 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7 .294 -4 .351 -2 .616 1 .00 0 .00 H ATOMO 77 N ASP A 7 -6 .935 0 .658 -1 .369 1 .00 0 .00 N ATOMO 78 CA ASP A 7 -7 .375 1 .966 -0 .924 1 .00 0 .00 C ATOMO 79 C ASP A 7 -6 .751 2 .319 0 .428 1 .00 0 .00 C ATOMO 80 0 ASP A 7 -7 .086 3 .347 1 .015 1 .00 0 .00 0 ATOMO 81 CB ASP A 7 -8 .901 2 .034 -0 .844 1 .00 0 .00 C ATOMO 82 CG ASP A 7 -9 .570 1 .542 -2 .113 1 .00 0 .00 C ATOMO 83 OD1 ASP A 7 -10 .680 0 .980 -2 .019 1 .00 0 .00 o ATOMO 84 OD2 ASP A 7 -8 .982 1 .721 -3 .200 1 .00 0 .00 o ATOMO 85 H ASP A 7 -6 .276 0 .607 -2 .077 1 .00. 0 .00 H ATOMO 86 HA ASP A 7 -7 .036 2 .687 -1 .655 1 .00 0 .00 H ATOMO 87 1HB ASP A 7 -9 .240 1 .423 -0 .022 1 .00 0 .00 H ATOMO 88 2HB ASP A 7 -9 .194 3 .054 -0 .677 1 .00 0 .00 H ATOMO 89 N GLN A 8 -5 .827 1 .477 0 .921 1 .00 0 .00 N ATOMO 90 CA GLN A 8 -5 .170 1 .743 2 .190 1 .00 0 .00 C ATOMO 91 C GLN A 8 -3 .677 1 .982 1 .973 1 .00 0 .00 C ATOMO 92 O GLN A T -3 .110 1 .529 0 .980 1 .00 0 .00 o ATOMO 93 CB GLN A 8 -5 .381 0 .585 3 .165 1 .00 0 .00 c ATOMO 9 CG GLN A 8 -6 .834 0 .165 3 .303 1 .00 0 .00 c ATOMO 95 CD GLN A 8 -7 .737 1 .314 3 .708 1 .00 0 .00 c ATOMO 96 OE1 GLN A 8 -7 .642 1 .831 .821 1, .00 0 .00 0 ATOMO 97 NE2 GLN A 8 -8 .619 1 .721 2 .802 1, .00 0 ;00 N ATOMO 98 H GLN A 8 -5 .574 0 .669 0, .421 1, .00 0 .00 H ATOMO 99 KA GLN A 8 -5 .607 2 .636 2 .602 1, .00 0 .00 H ATOMO 100 1HB GLN A 8 -4 .811 -0 .266 2. .826 1. .00 0 .00 H ATOMO 101 2HB GLN A 8 -5 .021 0 .881 4. .140 1. .00 0 .00 H ATOMO 102 1HG GLN A 8 -7 .175 -0 .223 2, .355 1. .00 0 .00 H ATOMO 103 2KG GLN A 8 -6 .902 -0 .609 4. .054 1, .00 0 .00 H ATOMO 104 1HE2 GLN A .8 -8 .638 1 .263 1. .936 1. .00 0 .00 H ATOMO 105 2HE2 GLN A 8 -9, .215 2 .463 3. .037 1. .00 0, .00 H ATOMO 106 N PRO A 9 -3, .017 2. .715 2. .890 1.00 0, .00 N ATOMO 107 CA PRO A 9 -1 .591 3, .017 2. ,763 1. .00 0, .00 c ATOMO 108 C PRO A 9 -0, .699 1, .790 2. .875 1. .00 0, .00 c ATOMO 109 O PRO A 9 -0, .941 0, .893 3. .683 1. .00 0, .00 o ATOMO 110 CB PRO A 9 -1. .310 3. .978 3, ,917 1. .00 0, .00 c ATOMO 111 CG PRO A 9 -2. .409 3. .747 4. ,898 1. ,00 0. .00 c ATOMO 112 CD PRO A 9 -3. .607 3, .321 4. ,100 1. ,00 0. .00 c ATOMO 113 HA PRO A 9 -1. .383 3. ,516 1. ,830 1. ,00 0. .00 H ATOMO 114 1HB PRO A 9 -0. .344 3. .754 4. ,348 1. ,00 0. .00 H ATOMO 115 2HB PRO A 9 -1. .313 4. .988 3. 545 1. 00 0, .00 H ATOMO 116 1HG PRO A .9 -2. .125 2. .968 5. 589 1. 00 0. .00 H ATOMO 117 2HG PRO A 9 -2. .623 4. .659 5. 431 1. 00 0. .00 H ATOMO 118 1HD PRO A 9 -4. .186 2. .595 4. 651 1. 00 0. .00 H ATOMO 119 2HD PRO A 9 -4. .216 4. .175 3. 845 1. 00 0. .00 H ATOMO 120 N CYS A 10 0. ,345 1. .777 2. 059 1. 00 0. ,00 N ATOMO 121 CA CYS A 10 1. ,308 0. .686 2. 048 1. 00 0. ,00 c ATOMO 122 C CYS A 10 2. 732 1. 228 2. 109 1. 00 0. 00 c ATOMO 123 O CYS A 10 2. 943 2. ,439 2. 194 1. 00 0. 00 0 ATOMO 124 CB CYS A 10 1. 134 -0. 172 0. 794 1. 00 0. 00 c ATOMO 125 SG CYS A 10 0. 978 0. 786 -0. 747 1. 00 0. 00 S ATOMO 126 H CYS A 10 0. 475 2. 533 1. 451 1. 00 0. ,00 H ATOMO 127 HA YS A 10 1.130 0.075 2.921 1.00 0.00 H ATOMO 12B 1HB CYS A 10 1 .986 -0 .825 0 .690 1 .00 0.00 H ATOMO 129 2HB CYS A 10 0 .242 -0 .770 0 .902 1 .00 0.00 H ATOMO 130 N SER A 11 3 .702 0 .327 2 .064 1 .00 0.00 N ATOMO 131 CA SER A 11 5 .108 0 .711 2 .111 1 .00 0.00 c ATOMO 132 C SER A 11 5 .955 -0 .213 1 .241 1 .00 0.00 c ATOMO 133 0 SER A 11 5 .588 -1 .363 0 .999 1 .00 0.00 0 ATOMO 134 CB SER A 11 5 .620 0 .684 3 .553 1 .00 0.00 c ATOMO 135 OG SER A 11 5 .483 1 .953 4 .166 1 .00 0.00 0 ATOMO 136 H SER A 11 3 .466 -0 .619 1 .995 1 .00 0.00 H ATOMO 137 HA SER A 11 5 .189 1 .717 1 .729 1 .00 0.00 H ATOMO 138 1HB SER A 11 5 .054 -0 .040 4 .120 1 .00 0.00 H ATOMO 139 2HB SER A 11 6 .664 0 .406 3 .556 1 .00 0.00 H ATOMO 140 HG SER A 11 6 .290 2 .457 4 .046 1 .00 0.00 H ATOMO 141 N LEU A 12 7 .088 0 .299 0 .772 1 .00 0.00 N ATOMO 142 CA LEU A 12 7 .988 -0 .481 -0 .074 1 .00 0.00 c ATOMO 143 C LEU A 12 8 .718 -1 .567 0 .719 1 .00 0.00 c ATOMO 144 O LEU A 12 9 .295 -2 .483 0 .133 1 .00 0.00 o ATOMO 145 CB LEU A 12 9 .005 0 .432 -0 .770 1 .00 0.00 c ATOMO 146 CG LEU A 12 9 .611 1 .541 0 .097 1 .00 0.00 c ATOMO 147 CD1 LEU A 12 10 .145 0 .977 1 .405 1 .00 0.00 c ATOMO 148 CD2 LEU A 12 10 .714 2 .258 -0 .661 1 .00 0.00 c ATOMO 149 H LEU A 12 7 .323 1 .221 0 .999 1 .00 0.00 H ATOMO 150 HA LEU A 12 7 .385 -0 .960 -0 .830 1 .00 0.00 H ATOMO 151 1HB LEU A 12 9 .812 -0 .184 -1 .139 1 .00 0.00 H ATOMO 152 2HB LEU A 12 8 .518 0 .897 -1 .615 1 .00 0.00 H ATOMO 153 HG LEU A 12 T .846 2 .266 0 .334 1 .00 0,00 H ATOMO 154 1HD1 LEU A 12 10 .893 1 .644. 1 .806 1 .00 b .oo H ATOMO 155 2HD1 LEU A 12 10 .586 0 .008 1 .227 1 .00 0.00 H ATOMO 156 3HD1 LEU A 12 9 .334 0 .880 2 .113 1 .00 0.00 H ATOMO 157 1HD2 LEU A 12 10 .293 2 .756 -1 .522 1 .00 0.00 H ATOMO 158 2HD2 LEU A 12 11 .452 1 .539 -0 .986 1 .00 0.00 H ATOMO 159 3HD2 LEU A 12 11 .180 2 .987 -0 .015 1 .00 0.00 H ATOMO 160 N ASN A 13 8 .695 -1 .470 2 .049 1 .00 0.00 N ATOMO 161 CA ASN A 13 9 .358 -2 .454 2 .896 1 .00 0.00 c ATOMO 162 C ASN A 13 8 .350 -3 .346 3 .624 1 .00 0.00 c ATOMO 163 O ASN A 13 8 .723 -4 .102 4 .522 1 .00 0.00 o ATOMO 164 CB ASN A 13 10 .262 -1 .755 3 .912 1 .00 0.00 c ATOMO 165 CG ASN A 13 9 .565 -0 .609 4 .620 1 .00 0.00 c ATOMO 166 OD1 ASN A 13 8 .344 -0 .613 4 .779 1 .00 0.00 0 ATOMO 167 ND2 ASN A 13 10 .341 0 .380 5 .052 1 .00 0.00 N ATOMO 168 H ASN A 13 8 .222 -0 .727 2 .471 1 .00 0.00 H ATOMO 169 HA ASN A 13 9 .968 -3 .074 2 .259 1 .00 0.00 H ATOMO 170 1HB ASN A 13 10 .580 -2 .471 4 .656 1 .00 0.00 H ATOMO 171 2HB ASN A 13 11 .130 -1 .364 3 .403 1 .00 0.00 H ATOMO 172 1HD2 ASN A 13 11 .305 0 .315 4 .890 1 .00 0.00 H ATOMO 173 2HD2 ASN A 13 9 .917 1 .134 5 .512 1 .00 0.00 H ATOMO 174 N THR A 14 .075 -3 .264 3 .241 1 .00 0.00 N ATOMO 175 CA THR A 14 6 .038 -4 .071 3 .869 1 .00 0.00 c ATOMO 176 C THR A 14 5, .472 -5 .088 2 .884 1 .00 0.00 c ATOMO 177 O THR A 14 5 .954 -5 .212 1 .758 1 .00 0.00 0 ATOMO 178 CB THR A 14 4, .919 -3, .174 4, ,402 1 .00 0.00 c ATOMO 179 OG1 THR A 14 4 .293 -2 .470 3, .344 1, .00 0.00 0 ATOMO 180 CG2 THR A 14 5, .399 -2 .153 5, .410 1, .00 0.00 c ATOMO 181 H THR A 14 6 .824 -2 .652 2. .522 1. .00 0.00 H ATOMO 182 HA THR A 14 6. .487 -4 .600 4. .696 1. .00 0.00 H ATOMO 183 HB THR A 14 4, .175 -3, .791 4. .885 1, .00 0.00 H ATOMO 184 HG1 THR A 14 3.557 -1.960 3.689 1.00 0.00 H ATOMO 185 1HG2 THR A 14 4 .593 -1. 477 5. 650 1.00 0.00 H ATOMO 186 2HG2 THR A 14 6 .225 -1. 596 4. 992 1.00 0.00 H ATOMO 187 3HG2 THR A 14. 5 .723 -2. 659 6. 307 1.00 0.00 H ATOMO 188 M GLN A 15 4 .449 -5. 816 3. 316 1.00 0.00 N ATOMO 189 CA GLN A 15 3 .815 -6. 824 2. 478 1.00 0.00 C ATOMO 190 C GLN A 15 3 .074 -&. 176 1. 306 1.00 0.00 C ATOMO 191 0 GLN A 15 2 .691 -5. 009 1. 381 1.00 0.00 o ATOMO 192 CB GLN A 15 2 .845 -7. 659 3. 313 1.00 0.00 C ATOMO 193 CG GLN A 15 3 .517 -8. 421 4. 444 1.00 0.00 C ATOMO 194 CD GLN A 15 4 .389 -9. 557 3. 946 1.00 0.00 c ATOMO 195 OE1 GLN A 15 5 .617 -9. 472 3. 981 1.00 0.00 0 ATOMO 196 NE2 GLN A 15 3 .757 -10. 628 3. 480 1.00 0.00 N ATOMO 197 H GLN A 15 4 .111 -5. 673 4. 223 1.00 0.00 H ATOMO 198 HA GLN A 15 4 .589 -7. 468 2. 088 1.00 0.00 H ATOMO 199 1HB GLN A 15 2 .102 -7. 004 3. 742 1.00 0.00 H ATOMO 200 2HB GLN A 15 2 .356 -8. 371 2. 670 1.00 0.00 H ATOMO 201 1HG GLN A 15 4 .132 -7. 735 5. 006 1.00 0.00 H ATOMO 202 2HG GLN A 15 2 .752 -8. 829 • 5. 090 1.00 0.00 H ATOMO 203 1HE2 GLN A 15 2 .777 -10. 625 3. 482 1.00 0.00 H ATOMO 204 2HE2 GLN A 15 4 .297 -11. 376 3. 151 1.00 0.00 H ATOMO 205 N PRO A 16 2 .854 -6. 923 0. 202 1.00 0.00 N ATOMO 206 CA PRO A 16 2 .151 -6. 396 -0. 973 1.00 0.00 c ATOMO 207 C PRO A 16 0 .700 -6. 046 -0. 662 1.00 0.00 c ATOMO 208 O PRO A 16 0 .255 -6. 166 0. 479 1.00 0.00 o ATOMO 209 CB PRO A 16 2 .219 -7. 544 -1. 987 1.00 0.00 c ATOMO 210 CG PRO A 16 2 .446 -8. 768 -1. 169 1.00 0.00 c ATOMO 211 CD PRO A 16 3 .266 -8. 329 0. 010 1.00 0.00 c ATOMO 212 HA PRO A 16 2 .651 -5. 527 -1. 375 1.00 0.00 H ATOMO 213 1HB PRO A 16 1 .287 -7. 601 -2. 531 1.00 0.00 H ATOMO 214 2HB PRO A 16 3 .033 -7. 372 -2. 674 1.00 0.00 H ATOMO 215 1HG PRO A 16 1 .500 -9. 171 -0. 840 1.00 0.00 H ATOMO 216 2HG PRO A 16 2 .987 -9. 501 -1. 749 1.00 0.00 H ATOMO 217 1HD PRO A 16 3 .025 -8. 924 0. 880 1.00 0.00 H ATOMO 218 2HD PRO A 16 4 .319 -8. 394 -0. 215 1.00 0.00 H ATOMO 219 N CYS A 17 -0 .032 -5. 608 -1. 681 1.00 0.00 N ATOMO 220 CA CYS A 17 -1 .431 -5. 241 -1. 509 1.00 0.00 c ATOMO 221 C CYS A 17 -2 .343 -6. 450 •-1. 690 1.00 0.00 c ATOMO 222 O CYS A 17 -1 .886 -7. 550 -2. 000 1.00 0.00 o ATOMO 223 CB CYS A 17 -1 .822 -4. 137 -2. 493 1.00 0.00 c ATOMO 224 SG CYS A 17 -0 .784 -2. 643 -2. 391 1.00 0.00 S ATOMO 225 H CYS A 17 0 .377 -5. 533 -2. 567 1.00 0.00 H ATOMO 226 HA CYS A 17 -1 .554 -4. 868 -0. 504 1.00 0.00 H ATOMO 227 1HB CYS A 17 -1 .749 -4. 519 -3. 500 1.00 0.00 H ATOMO 228 2HB CYS A 17 -2 .842 -3. 841 -2. 298 1.00 0.00 H ATOMO 229 N CYS A 18 -3 .634 -6. 228 -1. 485 1.00 0.00 N ATOMO 230 CA CYS A 18 -4 .631 -7. 282 -1. 612 1.00 0.00 c ATOMO 231 C CYS A 18 -5 .403 -7. 138 -2. 917 1.00 0.00 c ATOMO 232 0 CYS A 18 -5 .334 -6. 106 -3. 582 1.00 0.00 o ATOMO 233 CB CYS A 18 -5 .599 -7. 231 -0. 426 1.00 0.00 c ATOMO 234 SG CYS A 18 -4 .787 -7. 299 1. 205 1.00 0.00 S ATOMO 235 H CYS A 18 -3 .924 -5. 328 -1. 235 1.00 0.00 H ATOMO 236 HA CYS A 18 -4, .117 -8. 231 -1. 609 1.00 0.00 H ATOMO 237 1HB CYS A 18 -6 .161 -6. 312 -0. 472 1.00 0.00 H ATOMO 238 2HB CYS A 18 -6, .280 -8. 065 -0. 489 1.00 0.00 H ATOMO 239 N ASP A 19 -6, .139 -8. 183 -3. 282 1.00 0.00 N ATOMO 240 CA ASP A 19 -6. .929 -8. 176 -4. 513 1.00 0.00 c ATOMO 241 C ASP A 19 -6.056 -7.850 -5.724 1.00 0.00 c ATOMO 242 0 ASP A 19 -6. 524 -7 .261 -6 .699 1. 00 0 .00 o ATOMO 243 CB ASP A 19 -8. .071 -7 .165 -4 .405 1. 00 0.00 c ATOMO 244 CG ASP A 19 -8. 897 -7 .357 -3 .149 1. 00 0 .00 c ATOMO 245 ODl ASP A 19 -9. 440 -6 .356 -2 .636 1. 00 0 .00 o ATOMO 246 OD2 ASP A 19 -9. ,001 -8 .509 -2 .677 1. 00 0 .00 0 ATOMO 247 H ASP A 19 -6. 153 -8 .977 -2 .710 1. 00 0 .00 H ATOMO 248 HA ASP A 19 -7. .346 -9 .163 -4 .642 1. 00 0 .00 H ATOMO 249 1HB ASP A 19 -7. ,660 -6 .166 -4 .394 1. 00 0 .00 H ATOMO 250 2HB ASP A 19 -8. ,721 -7 .272 -5 .261 1. 00 0 .00 H ATOMO 251 N ASP A 20 -4. ,786 -8 .236 -5 .650 1, 00 0 .00 N ATOMO 252 CA ASP A 20 -3. .840 -7 .986 -6 .734 1. 00 0 .00 c ATOMO 253 C ASP A 20 -3. ,609 -6 .492 -6 .926 1.. 00 0 .00 c ATOMO 254 0 ASP A 20 -3. .444 -6 .018 -8 .050 1. 00 0 .00 0 ATOMO 255 CB ASP A 20 -4. .337 -8 .613 -8 .039 1. 00 0 .00 c ATOMO 256 CG ASP A 20 -3. ,232 -8 .757 -9 .068 1. 00 0 .00 c ATOMO 257 ODl ASP A 20 -3. ,339 -8 .134 -10 .145 1. 00 0 .00 o ATOMO 25.8 OD2 ASP A 20 -2. .260 -9 .491 -8 .796 1. 00 0 .00 0 ATOMO 259 H ASP A 20 -4. ,475 -8 .699 -4 B45 1. 00 0 .00 H ATOMO 260 HA ASP A 20 -2. ,902 -8 .445 -6 .460 1. 00 0 .00 H ATOMO 261 1HB ASP A 20 -4. ,739 -9 .593 -7 .831 1. 00 0 .00 H ATOMO 262 2HB ASP A 20 -5. ,115 -7 .990 -8 .457 1. 00 0 .00 H ATOMO 263 N ALA A 21 -3. .592 -5 .754 -5 .821 1. 00 0 .00 N ATOMO 264 CA ALA. A 21 -3. 373 -4 .312 -5 .870 1. 00 0 .00 c ATOMO 265 C ALA A 21 -1. ,890 -3 .993 -6 ,012 1. 00 0 .00 c ATOMO 266 O ALA A 21 -1. 047 -4 .889 -5 .999 1. 00 0 .00 0 ATOMO 267 CB ALA A 21 -3. 939 -3 .643 -4 .625 1. 00 0 .00 c ATOMO 268 H ALA A 21 -3. 724 -6 .190 -4 .953 1. 00 0 .00 H ATOMO 26? HA ALA A 21 -3. 899 -3 .924 -6 .730 1. 00 0 .00 H ATOMO 270 1HB ALA A 21 -3. 980 -4 .358 -3 .820 1. 00 0 .00 H ATOMO 271 2HB ALA A 21 -4. 933 -3 .277 -4 .832 1. 00 0 .00 H ATOMO 272 3HB ALA A 21 -3. 304 -2 .815 -4 .338 1. 00 0 .00 H ATOMO 273 N THR A 22 -1. 580 -2 .709 -6 .145 1. 00 0 .00 N ATOMO 274 CA THR A 22 -0. 204 -2 .267 -6 .287 1. 00 0 .00 c ATOMO 275 C THR A 22 0. 054 -1 .026 -5 .440 1. 00 0 .00 c ATOMO 276 o THR A 22 -0. 788 -0 .129 -5 .363 1. 00 0 .00 o ATOMO 277 CB THR A 22 0. 107 -1 .973 -7 .754 1. 00 0 .00 c ATOMO 2.78 OG1 THR A 22 -0. 137 -3 .115 -8 .557 1. 00 0 .00 0 ATOMO 279 CG2 THR A 22 1. 538 -1 .546 -7 .988 1. 00 0 .00 c ATOMO 280 H THR A 22 -2. 296 -2 .042 -6 .147 1. 00 0 .00 H ATOMO 281 HA THR A 22 0. 439 -3 .06.4 -5 .943 1. 00 0 .00 H ATOMO 282 HB THR A 22 -0. 536 -1 .175 -8 .094 1. 00 0, .00 H ATOMO 283 HGl THR A 22 -1. 017 -3 .454 -8 .373 1. 00 0. .00 H ATOMO 284 1HG2 THR A 22 1. 583 -0 .470 -8 .064 1. 00 0 .00 H ATOMO 285 2HG2 THR A 22 1. 900 -1 .989 -8 .903 1. 00 0, .00 H ATOMO 286 3HG2 THR A 22 2. 150 -1 .876 -7 .161 1. 00 0, .00 H ATOMO 287 N CYS A 23 1. 223 -0 .978 - .810 1. 00 0, .00 N ATOMO 288 CA CYS A 23 1. 594 0 .155 -3 .973 1. 00 0, .00 c ATOMO 289 C CYS A 23 2. 048 1 .317 -4 .855 1. 00 0, .00 c ATOMO 290 o CYS A 23 3. 076 1 .231 -5 .527 1. 00 0, .00 0 ATOMO 291 CB CYS A 23 2. 711 -0 .255 -3 .007 1. 00 0. .00 c ATOMO 292 SG CYS A 23 2. 853 0 .799 -1 .528 1. 00 0. .00 s ATOMO 293 H CYS A 23 1. 851 -1 .723 -4, .913 1. 00 0. .00 H ATOMO 294 HA CYS A 23 0. 725 0 .459 -3. .408 1. 00 0. .00 H ATOMO 295 1HB CYS A 23 2. 531 -1 .266 -2, .672 1. 00 0. .00 H ATOMO 296 2HB CYS A 23 3. 657 -0 .219 -3. .528 1. 00 0. .00 H ATOMO 297 N THR A 24 1. 262 2 .391 -4. .873 1. 00 0. .00 N ATOMO 298 CA THR A 24 1.569 3.551 -5.698 1.00 0.00 c ATOMO 299 C THR A 24 1 .735 4.817 -4. 862 1 .00 0. 00 c ATOMO 300 0 THR A 24 1 .202 4.935 -3. 759 1 .00 0. 00 0 ATOMO 301 CB THR A 24 0 .463 3.754 -6. 745 1 .00 0. 00 c ATOMO 302 OG1 THR A 24 0 .470 2.698 -7. 688 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .579 5.056 -7. 516 1 .00 0. 00 c ATOMO 304 H THR A 24 0 .446 2.397 -4. 336 1 .00 0. 00 H ATOMO 305 HA THR A 24 2 .498 3.353 -6. 211 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0 .494 3.752 -6. 242 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 -0 .061 1.969 -7. 357 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .362 5.884 -6. 855 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .125 5.056 -8. 333 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .583 5.159 -7. 900 1 .00 0. 00 H ATOMO 311 N GLN A 25 2 .466 5.767 -5. 432 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2 .708 7.050 -4. 800 1 .00 0. 00 c ATOMO 313 C GLN A 25 1 .454 7.918. -4. 880 1 .00 0. 00 c ATOMO 314 0 GLN A 25 0 .785 7.969 -5. 912 1 .00 0. 00 0 ATOMO 315 CB. GLN A 25 3 .884 7.750 -5. 489 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4 .133 9.161 -4. 990 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5 .506 9.682 -5. 365 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .489 8.942 -5. 353 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 5 .580 10.964 -5. 703 1 .00 0. 00 N ATOMO 320 H GLN A 25 2 .838 5.604 -6. 319 1 .00 0. 00 H ATOMO 321 HA GLN A 25 2 .956 6.880 -3. 763 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4 .780 7.170 -5. 321 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3 .689 7.795 -6. 550 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3 .386 9.811 -5. 419 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4 .039 9.166 -3. 915 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 4 .756 11.495 -5. 690 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .455 11.329 -5. 950 1 .00 0. 00 H ATOMO 328 N GLU A 26 1 .146 8.594 -3. 785 1 .00 0. 00 N ATOMO 329 CA GLU A 26 -0 .024 9.460 -3. 721 1 .00 0. 00 c ATOMO 330 C GLU A 26 0 .193 10.593 -2. 725 1 .00 0. 00 c ATOMO 331 0 GLO A 26 1 .265 10.716 -2. 132 1 .00 0. 00 o ATOMO 332 CB GLU A 26 -1 .262 8.650 -3. 334 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1 .526 7.470 -4. 255 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2 .840 6.776 -3. 951 1 .00 0. 00 c ATOMO 335 OE1 GLU A 26 -2 .978 5.586 -4. 303 1 .00 0. 00 0 ATOMO 336 OE2 GLU A 26 -3 .731 7.422 -3. 360 1 .00 0. 00 o ATOMO 337 H GLU A 26 1 .721 8.508 -2. 997 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0 .177 9.885 -4. 702 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .133 8.275 -2. 329 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .125 9.298 -3. 358 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .552 7.824 -5. 275 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .723 6.757 -4. 144 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0 .831 11.420 -2. 548 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0 .753 12.548 -1. 624 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1 .774 12.405 -0. 501 1 .00 0. 00 c ATOMO 346 o ARG A 27 -2 .894 11.944 -0. 721 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -0 .982 13.863 -2. 372 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0 .254 14.366 -3. 105 1 .00 0. 00 c ATOMO 349 CD ARG A '27 0 .483 15.852 -2. 871 1 .00 0. 00 c ATOMO 350 NE ARG A 27 0 .918 16.539 -4. 086 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 0 .093 16.936 -5. 056 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 -1 .215 16.716 -4. 965 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 0 .578 17.555 -6. 122 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1 .657 11.271 -3. 051 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0.238 12.557 -1.194 1.00 0.00 H ATOMO 356 1HB ARG A 27 -1 .770 13 .719 -3 .095 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .288 14 .617 -1 .662 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 1 .117 13 .821 -2 .752 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 0 .126 14 .195 -4 .164 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -0 .439 16 .298 -2 .528 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 1 .243 15 .971 -2 .111 1 .00 0. 00 H ATOMO 362 HE ARG A 27 1 .877 16 .716 -4 .186 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 -1 .591 16 .249 -4 .164 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 -1 .823 17 .019 -5 .697 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 1 .561 ? .725 -6 .199 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 -0 .038 17 .854 -6 .851 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1 .378 12 .802 0 .704 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2 .258 12 .717 1 .864 1 .00 0. 00 C ATOMO 369 C ASN A 28 -2 .911 14 .068 2 .152 1 .00 0. 00 C ATOMO 370 O ASN A 28 -2 .767 15 .015 1 .379 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1 .477 12 .236 3 .089 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0 .409 13 .219 3 .528 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0 .112 14 .184 2 .824 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0 .174 12 .979 4 .697 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .473 13 .160 0 .817 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -3 .033 11 .999 1 .638 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2 .162 12 .088 3 .910 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0 .999 11 .298 2 .855 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 -0 .114 12 .191 5 .204 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 0 .867 13 .600 5 .005 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3 .625 14 .147 3 .269 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4 .296 15 .381 3 .660 1 .00 0. 00 c ATOMO 383 C GLU A 29 -3 .282 16 .479 3 .966 1 .00 0. 00 c ATOMO 384 0 GLU A 29 -3 .562 17 .664 3 .783 1 .00 0. 00 0 ATOMO 385 CB GLU A 29 -5 .185 15 .136 4 .880 1.00 0. 00 c ATOMO 386 CG GLU A 29 -6 .550 14 .566 4 .533 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -7 .288 14 .039 5 .748 1 .00 0. 00 c ATOMO 388 OE1 GLU A 29 -7 .419 12 .802 5 .872 1 .00 0. 00 0 ATOMO 389 OE2 GLU A 29 -7 .732 14 .861 6 .576 1 .00 0. 00 0 ATOMO 390 H GLU A 29 -3 .702 13 .358 3 .845 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -4 .913 15 .698 2 .833 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -4 .687 14 .443 5 .542 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5 .331 16 .073 5 .398 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -7 .146 15 .343 4 .079 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -6 .420 13 .757 3 .829 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2 .102 16 .079 4 .434 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1 .050 17 .033 4 .765 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0 .374 17 .562 3 .503 1 .00 0. 00 c ATOMO 399 O ASN A 30 0 .115 18 .692 3 .479 1 .00 0. 00 0 ATOMO 400 CB ASN A 30 -0. .010 16 .380 5 .678 1 .00 0. 00 c ATOMO 401 CG ASN A 30 --0, .626 15 .820 6 .945 1 .00 0. 00 c ATOMO 402 OD1 ASN A 30 -1. .847 15 .731 7 .070 1, .00 0. 00 0 ATOMO 403 ND2 ASN A 30 0, .221 15 .441 7, .895 1, .00 0. 00 N ATOMO 404 H ASN ? 30 -1. .937 15 .122 .561 1, .00 0. 00 H ATOMO 405 HA ASN A 30 -1. .505 17. .860 5, .288 1, .00 0. 00 H ATOMO 406 1HB ASN A 30 0. .470 15. .571 5, .146 1. .00 0. 00 H ATOMO 407 2HB ASN A 30 0, .732 17, .115 5, .952 1. .00 0. 00 H ATOMO 40B 1HD2 ASN A 30 1. .181 15, .541 7, .727 1. .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0. ,149 15. .076 8, .726 1. .00 0. 00 H ATOMO 410 N GLY A 31 -0. .350 16. .741 2. .458 1. .00 0. 00 N ATOMO 411 CA GLY A 31 0. .268 17, .151 1. .209 1. .00 0. 00 c ATOMO 412 C GLY A 31 1.632 16.519 0.,979 1.00 0.00 c ATOMO 413 0 GLY A 31 2 .363 16 .933 0. ,079 1 .00 0. 00 0 ATOMO 414 H GLY A 31 -0 .756 15 .850 2. 534 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0 .384 16 .873 0. ,393 1 .00 0. 00 H ATOMO 416 2HA GLY A 31 0 .378 18 .225 1. 213 1 .00 0. 00 H ATOMO 417 N HIS A 32 1 .978 15 .516 1. ,783 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3 .262 14 .839 1. 643 1.00 0. 00 c ATOMO 419 C HIS A 32 3 .111 13 .576 0. 802 1 .00 0. 00 c ATOMO 420 0 HIS A 32 2 .039 12 .970 0. ,765 1 .00 0. 00 0 ATOMO 421 CB HIS A 32 3 .832 14 .490 3. 021 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5 .309 14 .711 3. ,130 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 5 .870 15 .953 3. 348 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .345 13 .842 3. ,052 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 7 .185 15 .837 3. 398 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .498 14 .568 3. 222 1 .00 0. 00 N ATOMO 427 H HIS A 32 1 .359 15 .221 2. ,481 1 .00 0. 00 H ATOMO 428 HA HIS A 32 3 .940 15 .512 1. 141 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3 .349 15 .101 3. ,767 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 3 .635 13 .449 3. 233 1 .00 0. 00 H ATOMO 431 HD1 HIS A 32 5 .376 16 .794 3. 450 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6 .276 12 .776 2. 887 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 7 .884 16 .644 3. 558 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 8 .401 14 .193 3. 292 1 .00 0. 00 H ATOMO 435 N THR A 33 4 .184 13 .181 0. 126 1 .00 0. 00 N ATOMO 436 CA THR A 33 4 .154 11 .990 -0. 713 1 .00 0. 00 c ATOMO 437 C THR A 33 4 .007 10 .732 0. 133 1 .00 0. 00 c ATOMO 438 O THR A 33 4 .774 10 .505 1. 069 1 .00 0. 00 0 ATOMO 439 CB THR A 33 5 .420 11 .894 -1. 563 1 .00 0. 00 c ATOMO 440 OG1 THR A 33 5 .602 13 .073 -2. 329 1 .00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .402 10 .721 -2. 521 1 .00 0. 00 c ATOMO 442 H THR A 33 5. .011 13 .704 0. 191 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .299 12 .069 -1. 366 1 .00 0. 00 H ATOMO 444 HB THR A 33 6, .274 11 .776 -0. 911 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 4, .822 13 .231 -2. 865 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .400 10 .538 -2. 888 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4, .748 10 .944 -3. 350 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 5, .041 9 .842 -2. 006 1 .00 0. 00 H ATOMO 449 N VAL A 34 3, .020 9 .915 -Q. 210 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .768 8 .674 0. 506 1 .00 0. 00 c ATOMO 451 C VAL A 34 2. .555 7 .525 -0. 468 1 .00 0. 00 c ATOMO 452 o VAL A 34 2. .489 7 .729 -1. 678 1 .00 0. 00 o ATOMO 453 CB VAL A 34 1, .536 8 .792 1. 425 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 1. .817 9 .744 2. 578 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0. .320 9 .248 0. 633 1 .00 0. 00 c ATOMO 456 H VAL A 34 2. .447 10 .152 -0. 969 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3, .630 8 .457 1. 118 1 .00 0. 00 H ATOMO 458. HB VAL A 34 1, .325 7 .817 1. 838 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. .582 10 .448 2. 285 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2. .154 9 .181 3. 435 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 0. .913 10 .279 2. 830 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0, .493 10 .242 0. 248 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. ,547 9 .258 1. 278 1, .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. ,149 8 .568 -0. 188 1, .00 0. 00 H ATOMO 465 N TYR A 35 2. ,450 6, .317 0. 065 1, .00 0. 00 N ATOMO 466 CA TYR A 35 2. ,243 5 .133 -0. 763 1, .00 0. 00 c ATOMO 467 C TYR A 35 0. 937 4, .439 -0. 389 1, .00 0. 00 c ATOMO 468 o TYR A 35 0. 714 4. .107 0. 775 1. .00 0. 00 0 1 ATOMO 469 CB TYR A 35 3 .419 4. 169 -0 .609 1. .00 0.00 C ATOMO 470 CG TYR A 35 4 .769 4. 839 -0 .731 1. ,00 0.00 C ATOMO 471 CDl TYR A 35 5 .404 4. 948 -1 .963 1. .00 0.00 c ATOMO 472 CD2 TYR A 35 5 .410 5. 364 0 .385 1. .00 0.00 c ATOMO 473 CE1 TYR A 35 6 .638 5. 559 -2 .079 1. ,00 0.00 C ATOMO 474 CE2 TYR A 35 6 .644 5. 978 0 .276 1. .00 0.00 C ATOMO 475 CZ TYR A 35 7 .253 6. 072 -0 .957 1, .00 0.00 c ATOMO 476 OH TYR A 35 8 .481 6. 683 -1 .069 1. .00 0.00 o ATOMO 477 H TYR A 35 2 .513 6. 217 1 .037 1. ,00 0.00 H ATOMO 478 HA TYR A 35 2 .183 5. 453 -1 .793 1. .00 0.00 H ATOMO 479 1HB TYR A 35 3 .368 3. 699 0 .361 1. ,00 0.00 H ATOMO 480 2HB TYR A 35 3 .355 3. 412 -1 .376 1, ,00 0.00 H ATOMO 481 HDl TYR A 35 4 .918 4. 545 -2 .840 1, .00 0.00 H ATOMO 482 HD2 TYR A 35 4 .931 5. 288 1 .350 1. .00 0.00 H ATOMO 483 HE1 TYR A 35 7 .114 5. 633 -3 .046 1. .00 0.00 H ATOMO 484 HE2 TYR A 35 7 .126 6. 379 1 .155 1. .00 0.00 H ATOMO 485 HH TYR A 35 9 .085 6. 309 -0 .422 1. .00 0.00 H ATOMO 486 N TYR A 36 0 .070 4. 233 -1 .379 1. .00 0.00 N ATOMO 487 CA TYR A 36 -1 .217 3. 588 -1 .141 1. .00 0.00 c ATOMO 488 C TYR A 36 -1 .414 2. 380 -2 .051 1, .00 0.00 c ATOMO 489 O TYR A 36 -0 .671 2. 181 -3 .012 1. .00 0.00 0 ATOMO 490 CB TYR A 36 -2 .356 4. 589 -1 .351 1, .00 0.00 c ATOMO 491 CG TYR A 36 -2 .759 5. 321 -0 .091 1. .00 0.00 c ATOMO 492 CDl TYR A 36 -1 .874 6. 176 0 .552 1. .00 0.00 c ATOMO 493 CD2 TYR A 36 -4 .028 5. 157 0 .453 1. .00 0.00 c ATOMO 494 CE1 TYR A 36 -2 .240 6. 846 1 .704 1, .00 0.00 c ATOMO 495 CE2 TYR A 36 -4 .401 5. 825 1 .603 1, .00 0.00 c ATOMO 496 CZ TYR A 36 -3 .504 6. 668 2 .225 1. .00 0.00 c ATOMO 497 OH TYR A 36 -3 .873 7. 335 3 .371 1. .00 0.00 o ATOMO 498 H TYR A 36 0 .299 4. 527 -2 .286 1. .00 0.00 H ATOMO 499 HA TYR A 36 -1 .235 3. 253 -0 .117 1. .00 0.00 H ATOMO 500 1HB TYR A 36 -2 .047 5. 325 -2 .077 1. .00 0.00 H ATOMO 501 2HB TYR A 36 -3 .223 4. 065 -1 .725 1. .00 0.00 H ATOMO 502 HDl TYR A 36 -0 .885 6. 314 0 .142 1. .00 0.00 H ATOMO 503 HD2 TYR A 36 -4 .728 4. 495 -0 .035 1. .00 0.00 H ATOMO 504 HE3 TYR A 36 -1 .538 7. 508 2 .191 1. .00 0.00 H ATOMO 505 HE2 TYR A 36 -5 .392 5. 685 2 .011 1. .00 0.00 H ATOMO 506 HH TYR A. 36 -3 .193 7. 225 4 .039 1. .00 0.00 H ATOMO 507 N CYS A 37 -2 .421 1. 574 -1 .732 1. ,00 0.00 N ATOMO 508 CA CYS A 37 -2 .726 0. 373 -2 .510 1. 00 0.00 c ATOMO 509 C CYS A 37 -3 .892 0. 620 -3 .458 1. 00 0.00 c ATOMO 510 O CYS A 37 -4 .919 1. 175 -3 .068 1. 00 0.00 o ATOMO 511 CB CYS A 37 -3 .056 -0.796 -1 .576 1. 00 0.00 c ATOMO 512 SG CYS A 37 -1 .590 -1. 595 -0 .849 1. 00 0.00 s ATOMO 513 H CYS A 37 -2 .966 1. 788 -0 .945 1. 00 0.00 H ATOMO 514 HA CYS A 37 -1 .852 0. 120 -3. .092 1. 00 0.00 H ATOMO 515 1HB CYS A 37 -3 .677 -0. 441 -0 .767 1. 00 0.00 H ATOMO 516 2HB CYS A 37 -3 .597 -1. 547 -2 .126 1. 0.0 0.00 H ATOMO 517 N ARG A 38 -3 .720 0. 208 -4, .711 1. 00 0.00 N ATOMO 518 CA ARG A 38 - .749 0. 385 -5, .725 1. 00 0.00 c ATOMO 519 C ARG A 38 -5 .003 -0. 918 -6, .470 1. 00 0.00 c ATOMO 520 O ARG A 38 - .076 -1. 546 -6, .980 1. 00 0.00 0 ATOMO 521 CB ARG A 38 - .339 1. 477 -6. .713 1. 00 0.00 c ATOMO 522 CG ARG A 38 -4, .039 2. 811 -6, .052 1. 00 0.00 c ATOMO 523 CD ARG A 38 -5, .288 3. 418 -5. .437 1. 00 0.00 c ATOMO 524 NE ARG A 38 -5, .228 4. 878 -5. .408 1. 00 0.00 N ATOMO 525 CZ ARG A 38 -6. .166 5. 653 -4. .862 1. 00 0.00 c ATOMO 526 NH1 ARG A 38 -7.244 5.118 -4.297 1.00 0.00 N ATOMO 527 NH2 ARG A 38 -6 .025 6 .972 -4. 881 1. 00 0 .00 N ATOMO 528 H ARG A 38 -2 .876 -0 .224 -4. 960 1. .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .659 0 .685 -5. 226 1. 00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .454 1 .155 -7. 242 1. ,00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .138 1 .623 -7. 424 1. ,00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .303 2 .661 -5. 277 1. ,00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .648 3 .490 -6. ,797 1. .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .145 3 .111 -6. 018 1. ,00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .390 3 .050 -4. ,426 1. ,00 0 .00 H ATOMO 536 HE ARG A 38 -4 .448 5 .305 -5. 819 1. 00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .359 4 .125 -4. 278 1. ,00 0 .00 H ATOMO 538 2HH1 ARG A 38 -7 .940 5 .709 -3. 891 1. 00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5 .218 7 .383 -5. 304 1. ,00 0 .oc H ATOMO 540 2HH2 ARG A 38 -6 .727 7 .555 -4. 471 1. 00 0 .00 H ATOMO 541 N ALA A 39 -6 .266 -1 .317 -6. 529 1. ,00 0 .00 N ATOMO 542 CA ALA A 39 -6 .648 -2 .545 -7. 213 1. ,00 0 .00 C ATOMO 543 C ALA A 39 -6 .458 -2 .414 -8. 720 1. ,00 0 .00 C ATOMO 544 0 ALA A 39 -7 .017 -3 .251 -9. 461 1. ,00 0 .00 0 ATOMO 545 CB ALA A 39 -8 .090 -2 .905 -6. 889 1. 00 0 .00 C ATOMO 546 OXT ALA A 39 -5 .753 -1 .477 -9. 148 1. ,00 0 .00 0 ATOMO 547 H ALA A 39 -6 .957 -0 .770 -6. 103 1. 00 0 .00 H ATOMO 548 HA ALA A 39 -6 .012 -3 .338 -6. 847 1. ,00 0 .00 H ATOMO 549 1HB ALA A 39 -8 .118 -3 .494 -5. 983 1. 00 0 .00 H ATOMO 550 2HB ALA A 39 -8 .510 -3 .475 -7. 703 1. ,00 0 .00 H ATOMO 551 3HB ALA A 39 -8 .663 -2 .001 -6. 747 1. ,00 0 .00 H TER 552 ALA A 39 ENDMDL MODELO 15 ATOMO 1 N GLY A 1 -1 .072 -16 .049 4. 012 1. 00 0 .00 N ATOMO 2 CA GLY A 1 -0 .279 -14 .831 3. 689 1. 00 0 .00 C ATOMO 3 C GLY A 1 -1 .066 -13 .553 3. 900 1. 00 0 .00 C ATOMO 4 0 GLY A 1 -2 .259 -13 .495 3. 601 1. 00 0 .00 0 ATOMO 5 1H GLY A 1 -2 .083 -15 .872 3. 841 1. 00 0 .00 H ATOMO 6 2H GLY A 1 -0 .941 -16 .307 5. 011 1. 00 0 .00 H ATOMO 7 3H GLY A 1 -0 .765 -16 .844 3. 416 1. 00 0 .00 H ATOMO 8 1HA GLY A 1 0 .598 -14 .808 4. 320 1. 00 0 .00 H ATOMO 9 2HA GLY A 1 0 .035 -14 .882 2. 658 1. 00 0 .00 H ATOMO 10 N SER A 2 -0 .399 -12 .527 4. 418 1. 00 0 .00 N ATOMO 11 CA SER A 2 -1 .045 -11 .244 4. 670 1. 00 0 .00 c ATOMO 12 C SER A 2 -0 .760 -10 .258 3. 541 1. 00 0 .00 C ATOMO 13 0 SER A 2 0 .217 -10 .404 2. 807 1. 00 0 .00 0 ATOMO 14 CB SER A 2 -0 .570 -10 .663 6. 002 1. 00 0 .00 C ATOMO 15 OG SER A 2 -1 .169 -11 .336 7. 096 1. 00 0 .00 0 ATOMO 16 H SER A 2 0 .550 -12 .635 4. 636 1. 00 0 .00 H ATOMO 17 HA SER A 2 -2 .110 -11 .415 4. 722 1. 00 0 .00 H ATOMO 18 1HB SER A 2 0 .503 -10 .767 6. 076 1. 00 0 .00 H ATOMO 19 2HB SER A 2 -0 .834 -9 .616 6. 051 1. 00 0 .00 H ATOMO 20 HG SER A 2 -1 .043 -12 .282 6. 997 1. 00 0 .00 H ATOMO 21 N CYS A 3 -1 .618 -9 .251 3. 414 1. 00 0 .00 N ATOMO 22 CA CYS A 3 -1 .461 -8 .237 2. 382 1. 00 0, .00 c ATOMO 23 C CYS A 3 -2 .080 -6 .918 2. 831 1. 00 0 .00 c ATOMO 24 O CYS A 3 -2 .815 -6 .871 3. 817 1. 00 0, .00 o ATOMO 25 CB CYS A 3 -2 .105 -8 .698 1. 070 1. 00 0, .00 c ATOMO 26 SG CYS A 3 -3, .887 -9. .069 1. 194 1. 00 0. .00 s ATOMO 27 H CYS A 3 -2 .374 -9, .186 4. 033 1. 00 0, .00 H ATOMO 28 HA CYS A 3 -0, .403 -8 .088 2. 220 1. 00 0, .00 H ATOMO 29 1HB CYS A 3 -1,.985 -7..923 0.328 1.00 0.,00 H ATOMO 30 2HB CYS A 3 -1. ,606 -9. 593 0 .731 1 .00 0. ,00 H ATOMO 31 N VAL A 4 -1. ,781 -5. 853 2 .100 1 .00 0. .00 N ATOMO 32 CA VAL A 4 -2, ,307 -4. 537 2 .416 1 .00 0. ,00 c ATOMO 33 C VAL A 4 -3. ,657 -4. .316 1 .728 1 .00 0. ,00 c ATOMO 34 0 VAL A 4 -3, .784 -4. ,553 0 .532 1 .00 0. ,00 0 ATOMO 35 CB VAL A 4 -1, .317 -3. ,445 1 .974 1 .00 0. ,00 c ATOMO 36 CG1 VAL A 4 -1, .862 -2. ,057 2 .271 1 .00 0, .00 c ATOMO 37 CG2 VAL A 4 0, .026 -3. ,657 2 .650 1 .00 0. .00 c ATOMO 38 H VAL A 4 -1. .192 -5. ,953 1 .326 1 .00 0. .00 H ATOMO 39 HA VAL A 4 -2, .427 -4. ,475 3 .485 1 .00 0. .00 H ATOMO 40 HB VAL A 4 -1. .175 -3. ,532 0 .908 1 .00 0. ,00 H ATOMO 41 1HG1 VAL A 4 -1. .070 -1. .331 2 .170 1 .00 0. .00 H ATOMO 42 2HG1 VAL A 4 -2. .253 -2. ,032 3 .276 1 .00 0. ,00 H ATOMO 43 3HG1 VAL A 4 -2. .653 -1. .827 1 .570 1 .00 0. ,00 H ATOMO 44 1HG2 VAL A 4 0, .307 -4. .697 2 .570 1 .00 0. ,00 H ATOMO 45 2HG2 VAL A 4 -0. .050 -3. 384 3 .692 1 .00 0. ,00 H ATOMO 46 3HG2 VAL A 4 0, .772 -3. .044 2 .169 1 .00 0. ,00 H ATOMO 47 N PRO A 5 -4 , .688 -3. 852 2 .460 1 .00 0. ,00 N ATOMO 48 CA PRO A 5 -6, .004 -3. 612 1 .867 1 .00 0. ,00 c ATOMO 49 C PRO A 5 -5. .975 -2. 466 0 .862 1 .00 0. .00 c ATOMO 50 O PRO A 5 -5, .366 -1. .418 1 .106 1 .00 0. .00 o ATOMO 51 CB PRO A 5 -6. .899 -3. ,255 3 .065 1 .00 0. .00 c ATOMO 52 CG PRO A 5 -6. .111 -3. 618 4 .281 1 .00 0. ,00 c ATOMO 53 CD PRO A 5 -4. .666 -3. 515 3 .891 1 .00 0. .00 c ATOMO 54 HA PRO A 5 -6. ,384 -4. 504 1 .382 1 .00 0. .00 H ATOMO 55 1HB PRO A 5 -7. .125 -2. ,200 3 .045 1 .00 0. .00 H ATOMO 56 2HB PRO A 5 -7. .816 -3. .823 3 .010 1 .00 0. ,00 H ATOMO 57 1HG PRO A 5 -6; ,333 -2. 927 5 .081 1 .00 0. 00 H ATOMO 58 2HG PRO A 5 -6. 346 -4. 629 4 .581 1 .00 0. 00 H ATOMO 59 1HD PRO A 5 -4. ,301 -2. 510 4 .048 1 .00 0. 00 H ATOMO 60 2HD PRO A 5 -4. .074 -4. 224 4 .447 1 .00 0. 00 H ATOMO 61 N VAL A 6 -6. ,647 -2. 657 -0 .269 1 .00 0. 00 N ATOMO 62 CA VAL A 6 -6. 700 -1. 636 -1 .297 1 .00 0. 00 c ATOMO 63 C VAL A 6 -7. .284 -0. 356 -0 .728 1, .00 0. 00 c ATOMO 64 O VAL. A 6 -8. 082 -0. 390 0 .208 1 .00 0. 00 o ATOMO 65 CB VAL A 6 -7. ,519 -2. 109 -2 .513 1, .00 0. 00 c ATOMO 66 CG1 VAL A 6 -7. 610 -1. 023 -3 .575 1, .00 0. 00 c ATOMO 67 CG2 VAL A 6 -6. 895 -3. 364 -3. .091 1, .00 0. 00 c ATOMO 68 H VAL A 6 -7. 126 -3. 494 -0, .410 1. .00 0. 00 H ATOMO 69 HA VAL A 6 -5. 688 -1. 441 -1, .623 1, .00 0. 00 H ATOMO 70 HB VAL A 6 -8. 517 -2. 347 -2 .183 1, .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8. 353 -0. 296 -3, .280 1, .00 0. 00 H ATOMO 72 2HG1 VAL A 6 -7. 891 -1. 466 -4, .516 1, .00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6. 650 -0. 538 -3, .674 1. .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5. 829 -3. 350 -2. .905 1. .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7. 074 -3. 398 -4, .155 1, .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7. 330 -4. 231 -2. .621 1. .00 0. 00 H ATOMO 77 N ASP A 7 -6. 847 0. 769 -1. .275 1. ,00 0. 00 N ATOMO 78 CA ASP A 7 -7. 277 2. 075 -0, ,815 1. ,00 0. 00 c ATOMO 79 C ASP A 7 -6. 633 2. 415 0, ,532 1. ,00 0. 00 c ATOMO 80 0 ASP A 7 -6. 952 3. 444 1. .127 1. ,00 0. 00 o ATOMO 81 CB ASP A 7 -8. 802 2. 147 -0, ,712 1. .00 0. 00 c ATOMO 82 CG ASP A 7 -9. 491 1. 664 -1. ,973 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -8. 992 1. 968 -3. .075 1. ,00 0. 00 o ATOMO 84 OD2 ASP A 7 -10. 530 0. 982 -1. .856 1. .00 0. 00 o ATOMO 85 H ASP A 7 -6. 194 0. 721 -1. ,989 1. .00 0. 00 H ATOMO 86 HA ASP A 7 -6.944 2.799 -1.543 1.00 0.00 H ATOMO 87 1HB ASP A 7 -9. 130 1 .534 0 .113 1 .00 0. 00 H ATOMO 88 2HB ASP A 7 -9. 088 3 .168 -0 .535 1 .00 0. 00 H ATOMO 89 N GLN A 8 -5. 711 1 .562 1 .011 1 .00 0. 00 N ATOMO 90 CA GLN A 8 -5. 038 1 .817 2 .272 1 .00 0. 00 C ATOMO 91 C GLN A 8 -3. 546 2 .041 2 .042 1 .00 0. 00 c ATOMO 92 0 GLN A 8 -2. 991 1 .580 1 .045 1 .00 0. 00 0 ATOMO 93 CB GLN A 8 -5. 252 0 .660 3 .248 1 .00 0. 00 c ATOMO 94 CG GLN A 8 -6. 705 0 .236 3 .378 1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7. 611 1 .382 3 .781 1 .00 0. 00 c ATOMO 96 OEl GLN A 8 -7. 397 2 .027 4 .807 1 .00 0. ,00 0 ATOMO 97 NE2 GLN A 8 -8. 635 1 .640 2 .974 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5. 471 0 .754 0 .503 1 .00 0. 00 H ATOMO 99 HA GLN A 8 -5. 462 2 .714 2 .691 1 .00 0. .00 H ATOMO 100 1HB GLN A 8 -4. 678 -0 .190 2 .911 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -4. 898 0 .958 4 .224 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 040 -0 .150 2 .427 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 775 -0 .540 4 .126 1. .00 0. 00 H ATOMO 104 1HE2 GLN A 8 -8. 745 1 .083 2 .175 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9. 237 2 ;375 3 .211 1 .00 0. 00 H ATOMO 106 N PRO A 9 -2. 869 2 .766 2 .953 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1. 441 3 .049 2 .815 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0. 569 1 .807 2 .918 1 .00 0. 00 c ATOMO 109 O PRO A 9 -0. 822 0 .914 3 .727 1 .00 0. 00 0 ATOMO 110 CB PRO A 9 -1. 136 4 .006 3 .965 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2. 231 3 .793 4 .955 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3. 441 3 .376 4 .170 1 .00 0. ,00 c ATOMO 113 HA PRO A 9 -1. 235 3 .544 1 .879 1 .00 0. ,00 H ATOMO 114 1HB PRO A 9 -0. 170 3 .767 4 .389 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 127 5 .016 3 .593 1 .00 0. ,00 H ATOMO 116 1HG PRO A 9 -1. 951 3 .016 5 .650 1 .00 0. ,00 H ATOMO 117 2HG. PRO A 9 -2. 431 4 .712 5 .484 1 .00 0. 00 H; ATOMO 118 1HD PRO A 9 -4. 019 2 .656 4 .727 1 .00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 046 4 .235 3 .920 1 .00 0. 00 H ATOMO 120 N CYS A 10 0. 467 1 .777 2 .094 1 .00 0. 00 N ATOMO 121 CA CYS A 10 1. 410 0 .667 2 .074 1 .00 0. 00 c ATOMO 122 C CYS A 10 2. 841 1 .182 2 .170 1 .00 0. 00 c ATOMO 123 O CYS A 10 3. 073 2 .385 2 .289 1 .00 0. 00 o ATOMO 124 CB CYS A 10 1. 238 -0 .158 0 .798 1 .00 0. 00 c ATOMO 125 SG CYS A 10 1. 105 0 .841 -0 .720 1 .00 0. 00 s ATOMO 126 H CYS A 10 0. 606 2 .530 1 .485 1 .00 0. 00 H ATOMO 127 HA CYS A 10 1. 205 0 .041 2 .929 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 2. 085 -0 .815 0 .685 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 340 -0 .750 0 .883 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 794 0 .264 2 .116 1 .00 0. 00 N ATOMO 131 CA SER A 11 5. 207 0 .620 2 .195 1 .00 0. 00 c ATOMO 132 C SER A 11 6. 043 -0 .265 1 .276 1 .00 0. 00 c ATOMO 133 O SER A 11 5. 599 -1 .334 0 .855 1 .00 0. 00 o ATOMO 134 CB SER A 11 5. 705 0 .496 3 .636 1 .00 0. 00 c ATOMO 135 OG SER A 11 6. 822 1 .339 3 .863 1 .00 0. 00 0 ATOMO 136 H SER A 11 3. 543 -0 .675 2 .021 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 306 1 .647 1 .876 1 .00 0. 00 H ATOMO 138 1HB SER A 11 4. 915 0 .776 .315 1 .00 0. 00 H ATOMO 139 2HB SER A 11 5. 998 -0 .527 3 .826 1. .00 0. 00 H ATOMO 140 HG SER A 11 6. 972 1 .423 4 .808 1 .00 0. 00 H ATOMO 141 N LEU A 12 7. 253 0 .189 0 .967 1 .00 0. 00 N ATOMO 142 CA LEU A 12 8. 152 -0 .564 0 .095 1 .00 0. 00 c ATOMO 143 C LEU A 12 8.823 -1.721 0.838 1.00 0.00 ATOMO 144 O LEU A 12 9.378 -2 .625 0 .212 1 .00 0 .00 ATOMO 145 CB LEU A 12 9 .217 0 .355 -0 .514 1 .00 0 .00 ATOMO 146 CG LEU A 12 9 .836 1 .382 0 .440 1 .00 0 .00 ATOMO 147 CD1 LEU A 12 10 .347 0, .709 1 .703 1 .00 0 .00 ATOMO 148 CD2 LEU A 12 10 .961 2 .132 -0 .254 1 .00 0 .00 ATOMO 149 H LEU A 12 7 .548 1 .047 1 .332 1 .00 0 .00 ATOMO 150 HA LEU A 12 7 .555 -0 .975 -0 .706 1 .00 0 .00 ATOMO 151 1HB LEU A 12 10 .012 -0 .264 -0 .904 1 .00 0 .00 ATOMO 152 2HB LEU A 12 8 .768 0 .891 -1 .338 1 .00 0 .00 ATOMO 153 HG LEU A 12 9 .085 2 .102 0 .724 1.00 0 .00 ATOMO 154 1HD1 LEU A 12 11 .126 1 .315 2 .143 1 .00 0 .00 ATOMO 155 2HD1 LEU A 12 10 .745 -0 .265 1 .459 1 .00 0 .00 ATOMO 156 3HD1 LEU A 12 9 .536 0 .601 2 .407 1 .00 0 .00 ATOMO 157 1HD2 LEU A 12 11 .617 1 .426 -0 .740 1 .00 0 .00 ATOMO 158 2HD2 LEU A 12 11 .518 2 .699 0 .475 1 .00 0 .00 ATOMO 159 3HD2 LEU A 12 10 .544 2 .803 -0 .991 1 .00 0 .00 ATOMO 160 N ASN A 13 8 .775 -1 .697 2 .169 1 .00 0 .00 ATOMO 161 CA ASN A 13 9 .384 -2 .750 2 .974 1 .00 0 .00 ATOMO 162 C ASN A 13 8 .329 -3 .634 3 .646 1 .00 0 .00 ATOMO 163 0 ASN A 13 8 .658 -4, .447 4 .510 1 .00 0 .00 ATOMO 164 CB ASN A 13 10 .299 -2 .139 4 .036 1 .00 0 .00 ATOMO 165 CG ASN A 13 11 .685 -1, .836 3 .504 1 .00 0 .00 ATOMO 166 0D1 ASN A 13 12 .358 -2 .711 2 .958 1 .00 0 .00 ATOMO 167 ND2 ASN A 13 12 .120 -0, .591 3 .658 1 .00 0 .00 ATOMO 168 H ASN A 13 8 .323 -0. .959 2 .623 1.00 0.00 ATOMO 169 HA ASN A 13 9 .979 -3, .362 2 .315 1 .00 0, .00 ATOMO 170 1HB ASN A 13 9 .861 -1, .218 .392 1 .00 0. .00 ATOMO 171 2HB ASN A 13 10 .393 -2, .830 4 .862 1 .00 0. .00 ATOMO 172 1HD2 ASN A 13 11 .531 0, .053 .103 1 .00 0. ,00 ATOMO 173 2HD2 ASN A 13 13 .014 -0. .368 3 .323 1 .00 0. .00 ATOMO 174 N THR A 14 7 .063 -3. ,478 3, .254 1 .00 0. .00 ATOMO 175 CA THR A 14 5 .986 -4. ,269 3, .833 1 .00 0, .00 ATOMO 176 C THR A 14 5 .437 -5. .267 2 .818 1, .00 0. .00 ATOMO 177 O THR A 14 5. .949 -5. .382 1, .704 1, .00 0. .00 ATOMO 178 CB THR A 14 4, .863 -3. ,356 4. .325 1, .00 0. .00 ATOMO 179 OG1 THR A 14 4, .309 -2. ,618 3. .250 1. .00 0. ,00 ATOMO 180 CG2 THR A 14 5, .315 -2. ,365 5. .376 1. .00 0. ,00 ATOMO 181 H THR A 14 6, .847 -2. 820 2. .564 1, .00 0. ,00 ATOMO 182 HA THR A 14 6. .389 -4. 813 4. .673 1. .00 0. ,00 ATOMO 163 HB THR A 14 4, .081 -3. 962 4. .759 1. ,00 0. ,00 ATOMO 184 HG1 THR A 14 3. .888 -3. 220 2. .631 1. .00 0. ,00 ATOMO 185 1HG2 THR A 14 5. .130 -2. ,773 6. .359 1.00 0. ,00 ATOMO 186 2HG2 THR A 14 4. .766 -1. 442 5. .262 1. .00 0. 00 ATOMO 187 3HG2 THR A 14 6, .371 -2. 172 5. ,259 1. ,00 0. 00 ATOMO 188 N GLN A 15 4. .393 -5. 985 3. ,213 1. .00 0. 00 ATOMO 189 CA GLN A 15 3. ,767 -6. 975 2. ,348 1. ,00 0. 00 ATOMO 190 C GLN A 15 3. .028 -6. 300 1. ,190 1. ,00 0. 00 ATOMO 191 0 GLN A 15 2. .642 -5. 135 1. 292 1. ,00 0. 00 ATOMO 192 CB GLN A 15 2. ,793 -7. 830 3. 160 1. ,00 0. 00 ATOMO 193 CG GLN A 15 3. ,455 -8. 597 4. 291 1. 00 0. 00 ATOMO 194 CD GLN A 15 4. ,336 -9. 726 3. 793 1. ,00 0. 00 ATOMO 195 0E1 GLN A 15 3. .991 -10. 424 2. 840 1. 00 0. 00 ATOMO 196 NE2 GLN A 15 5. 483 -9. 912 4. 438 1. 00 0. 00 ATOMO 197 H GLN A 15 4. 032 -5. 846 4. 112 1. 00 0. 00 ATOMO 198 HA GLN A 15 4. 544 -7. 608 1. 948 1. 00 0. 00 ATOMO 199 1HB GLN A 15 2. 036 -7. 188 3. 584 1. 00 0. 00 ATOMO 200 2HB GLN A 15 2..321 -8.539 2.501 1.00 0.00 H ATOMO 201 1HG GLN A 15 4, .064 -7 .914 4 .865 1 .00 0.00 H ATOMO 202 2HG GLN A 15 2 .686 -9 .014 4 .925 1 .00 0.00 H ATOMO 203 1HE2 GLN A 15 5 .692 -9 .318 5 .188 1 .00 0.00 H ATOMO 204 2HE2 GLN A 15 6 .072 -10 .635 4 .137 1 .00 0.00 H ATOMO 205 N PRO A 16 2 .814 -7 .020 0 .069 1 .00 0.00 N ATOMO 206 CA PRO A 16 2 .111 -6 .467 -1 .094 1 .00 0.00 c ATOMO 207 C PRO A 16 0 .670 -6 .100 -0 .762 1 .00 0.00 c ATOMO 208 0 PRO A 16 0 .223 -6 .274 0 .371 1 .00 0.00 0 ATOMO 209 CB PRO A 16 2 .154 -7 .601 -2 .124 1 .00 0.00 c ATOMO 210 CG PRO A 16 2 .381 -8 .838 -1.325 1 .00 0.00 c ATOMO 211 CD PRO A 16 3 .226 -8 .420 -0 .156 1 .00 0.00 c ATOMO 212 HA PRO A 16 2 .620 -5 .598 -1 .486 1 .00 0.00 H ATOMO 213 1HB PRO A 16 1 .214 -7 .642 -2 .656 1 .00 0.00 H ATOMO 214 2HB PRO A 16 2 .961 -7 .429 -2 .820 1 .00 0.00 H ATOMO 215 1HG PRO A 16 1. .436 -9 .234 -0 .982 1 .00 0.00 H ATOMO 216 2HG PRO A 16 2 .903 -9 .571 -1 .922 1 .00 0.00 H ATOMO 217 1HD PRO A 16 3 .007 -9 .032 0 .706 1 .00 0.00 H ATOMO 218 2HD PRO A 16 4 .274 -8 .477 -0 .407 1 .00 0.00 H ATOMO 219 N CYS A 17 -0 .057 -5 .592 -1 .752 1 .00 0.00 N ATOMO 220 CA CYS A 17 -1. .446 -5 .204 -1 .552 1 .00 0.00 c ATOMO 221 C CYS A 17 -2 .380 -6 .394 -1 .742 1 .00 0.00 c ATOMO 222 O CYS A 17 -1. .948 -7 .494 -2 .087 1 .00 0.00 0 ATOMO 223 CB CYS A 17 -1. .836 -4 .074 -2 .507 1 .00 0.00 c ATOMO 224 SG CYS A 17 -0 .762 -2 .605 -2 .407 1 .00 0.00 S ATOMO 225 H CYS A 17 0, .350 -5 .475 -2 .635 1 .00 0.00 H ATOMO 226 HA CYS A 17 -1, .546 -4 .850 -0 .537 1 .00 0.00 H ATOMO 227 1HB CYS A 17 -1, .795 -4 .441 -3 .522 1 .00 0.00 H ATOMO 228 2HB CYS A 17 -2 .843 -3 .759 -2 .283 1 .00 0.00 H ATOMO 229 N CYS A 18 -3, .663 -6 .160 -1 .503 1 .00 0.00 N ATOMO 230 CA CYS A 18 -4. .680 -7 .194 -1 .630 1 .00 0.00 c ATOMO 231 C CYS A 18 -5, .483 -7 .010 -2 .914 1 .00 0.00 c ATOMO 232 O CYS A 18 -5. .407 -5 .967 -3 .562 1 .00 0.00 o ATOMO 233 CB CYS A 18 -5. .619 -7 .157 -0 .421 1 .00 0.00 c ATOMO 234 SG CYS A 18 -4. .771 -7 .241 1. .189 1 .00 0.00 S ATOMO 235 H CYS A 18 -3, ,932 -5 .261 -1. .224 1 .00 0.00 H ATOMO 236 HA CYS A 18 -4. .183 -8 .151 -1 .661 1 .00 0.00 H ATOMO 237 1HB CYS A 18 -6. .183 -6 .237 -0, .444 1 .00 0.00 H ATOMO 238 2HB CYS A 18 -6. .302 -7 .989 -0, .477 1 .00 0.00 H ATOMO 239 N ASP A 19 -6. .255 -8, .030 -3, .274 1 .00 0.00 N ATOMO 240 CA ASP A 19 -7. .079 -7, .984 -4, .481 1 .00 0.00 c ATOMO 241 C ASP A 19 -6. .238 -7. .642 -5. .711 1 .00 0.00 c ATOMO 242 O ASP A 19 -6. ,721 -7, .010 -6. .650 1 .00 0.00 o ATOMO 243 CB ASP A 19 -8. .203 -6, .960 -4 , .317 1 .00 0.00 c ATOMO 244 CG ASP A 19 -9. ,233 -7. .392 -3. .292 1 .00 0.00 c ATOMO 245 ODl ASP A 19 -9. .666 -8, .563 -3. .343 1 .00 0.00 o ATOMO 246 OD2 ASP A 19 -9. ,605 -6. .561 -2. .437 1 .00 0.00 o ATOMO 247 H ASP A 19 -6. 272 -8. .833 -2. .714 1 .00 0.00 H ATOMO 248 HA ASP A 19 -7. .513 -8, .962 -4. .621 1 .00 0.00 H ATOMO 249 1HB ASP A 19 -7. ,781 -6. .018 -4. .001 1 .00 0.00 H ATOMO 250 2HB ASP A 19 -8. ,701 -6, .826 -5. .267 1 .00 0.00 H ATOMO 251 N ASP A 20 -4. 979 -8. .066 -5. 692 1, .00 0.00 N ATOMO 252 CA ASP A 20 -4. 062 -7. .810 -6. ,798 1 .00 0.00 c ATOMO 253 C ASP A 20 -3. 793 -6. .317 -6. 954 1 .00 0.00 c ATOMO 254 O ASP A 20 -3. 653 -5. .815 -8. 070 1. .00 0.00 0 ATOMO 255 CB ASP A 20 -4. 620 -8. .382 -8. 105 1. .00 0.00 c ATOMO 256 CG ASP A 20 -5. 128 -9. .802 -7. 945 1, .00 0.00 c ATOMO 257 OD1 ASP A 20 -4.468 -10.729 -8.460 1.00 0.00 0 ATOMO 258 OD2 ASP A 20 -6 .185 -9 .987 -7 .305 1 .00 0. 00 0 ATOMO 259 H ASP A 20 -4 .656 -8 .564 -4 .914 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -3 .131 -8 .305 -6 .571 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -5 .439 -7 .764 -8 .441 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -3 .842 -8 .379 -8 .852 1 .00 0. ,00 H ATOMO 263 N ALA A 21 -3 .714 -5 .613 -5 .830 1 .00 0. ,00 N ATOMO 264 CA ALA A 21 -3 .451 -4 .179 -5 .847 1 .00 0. 00 C ATOMO 265 C ALA A 21 -1 .961 -3 .903 -5 .994 1 .00 0. ,00 c ATOMO 266 0 ALA A 21 -1 .147 -4 .827 -6 .029 1 .00 0. .00 0 ATOMO 267 CB ALA A 21 -3 .985 -3 .520 -4 .581 1 .00 0. ,00 c ATOMO 268 H ALA A 21 -3 .830 -6 .071 -4 .971 1 .00 0. .00 H ATOMO 269 HA ALA A 21 -3 .972 -3 .754 -6 .693 1 .00 0. .00 H ATOMO 270 1HB ALA A 21 -4 .019 -4 .246 -3 .785 1 .00 0. .00 H ATOMO 271 2HB ALA A 21 -4 .979 -3 .139 -4 .765 1 .00 0.. ,00 H ATOMO 272 3HB ALA A 21 -3 .335 -2 .705 -4 .297 1 .00 0. .00 H ATOMO 273 N THR A 22 -1 .609 -2 .626 -6 .077 1 .00 0. .00 N ATOMO 274 CA THR A 22 -0 .219 -2 .227 -6 .217 1 .00 0. .00 c ATOMO 275 C THR A 22 0 .075 -0 .992 -5 .371 1 .00 0. ,00 c ATOMO 276 0 THR A 22 -0 .752 -0 .084 -5 .271 1 .00 0. .00 0 ATOMO 277 CB THR A 22 0 .100 -1 .945 -7 .686 1 .00 0. ,00 c ATOMO 278 OG1 THR A 22 -0 .155 -3 .088 -8 .482 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .535 -1 .534 -7 .919 1 .00 0. ,00 c ATOMO 280 H THR A 22 -2 .301 -1 .935 -6 .043 1 .00 0. 00 H ATOMO 281 HA THR A 22 0 .399 -3 .042 -5 .873 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0 .534 -1 .141 -8 .034 1 .00 0. 00 H ATOMO 283 HG1 THR A 22 0 .428 -3 .802 -8 .212 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .616 -1 .033 -8 .872 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 2 .164 -2 .411 -7 .918 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 1 .850 -0 .865 -7 .132 1 .00 0. 00 H ATOMO 287 N CYS A 23 1 .259 -0 .963 -4 .769 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1 .665 0 .162 -3 .938 1 .00 0. 00 c ATOMO 289 C CYS A 23 2 .126 1 .316 -4 .825 1 .00 0. 00 c ATOMO 290 0 CYS A 23 3 .141 1 .212 -5 .513 1 .00 0. 00 o ATOMO 291 CB CYS A 23 2 .786 -0 .268 -2 .988 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2 .972 0 .791 -1 .517 1 .00 0. 00 s ATOMO 293 H CYS A 23 1 .876 -1 .715 -4 .891 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0 .809 0 .480 -3 .361 1. .00 0. 00 H ATOMO 295 1HB CYS A 23 2 .590 -1 .272 -2 .644 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3 .724 -0 .253 -3 .524 1, .00 0. 00 H ATOMO 297 N THR A 24 1 .360 2 .405 -4 .826 1, .00 0. 00 N ATOMO 298 CA THR A 24 1 .676 3 .560 -5 .655 1, .00 0. 00 c ATOMO 299 C THR A 24 1 .843 .829 -4, .820 1, .00 0. 00 c ATOMO 300 O THR A 24 1 .304 4 .951 -3. .720 1, .00 0. 00 o ATOMO 301 CB THR A 24 0 .576 3 .764 -6, .707 1, .00 0. 00 c ATOMO 302 OG1 THR A 24 0 .587 2 .709 -7. .651 1, .00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .693 5 .067 -7, .475 1. .00 0. 00 c ATOMO 304 H THR A 24 0, .553 2, .424 -4. .277 1. .00 0. 00 H ATOMO 305 HA THR A 24 2 .607 3, .359 -6. .164 1. .00 0. 00 H ATOMO 306 HB THR A 24 -0. .384 3. .761 -6. .210 1. .00 0. 00 H ATOMO 307 HG1 THR A 24 1, .400 2. .744 -8. .161 1, ,00 0. 00 H ATOMO 308 1HG2 THR A 24 0, .664 5. .895 -6. .781 1. .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0, .127 5, .152 -8. .170 1. .00 0. 00 H ATOMO 310 3HG2 THR A 24 1, .629 5. .084 -8. 014 1. ,00 0. 00 H ATOMO 311 N GLN A 25 2. .581 5. .775 -5. .387 1. ,00 0. 00 N ATOMO 312 CA GLN A 25 2. .826 7. .059 -4. 754 1. ,00 0. 00 c ATOMO 313 C GLN A 25 1, .584 7. .944 -4. .859 1. .00 0. 00 c ATOMO 314 0 GLN A 25 1.019 8.115 -5.939 1.00 0.00 0 ATOMO 315 CB GLN A 25 4 .025 7 .739 -5 .422 1. 00 0 .00 c ATOMO 316 CG GLN A 25 4 .274 9 .153 -4 .934 1. 00 0 .00 c ATOMO 3? CD GLN A 25 5 .669 9 .649 -5 .260 1. 00 0 .00 c ATOMO 318 OE1 GLN A 25 6 .630 8 .880 -5 .259 1. 00 0 .00 0 ATOMO 319 NE2 GLN A 25 5 .787 10 .942 -5 .541 1. 00 0 .00 N ATOMO 320 H GLN A 25 2 .960 5 .609 -6 .272 1. 00 0 .00 H ATOMO 321 HA GLN A 25 3 .051 6 .890 -3 .713 1. 00 0 .00 H ATOMO 322 1HB GLN A 25 4 .911 7 .153 -5 .226 1. 00 0 .00 H ATOMO 323 2HB GLN A 25 3 .856 7 .774 -6 .488 1. ,00 0 .00 H ATOMO 324 1HG GLN A 25 3 .554 9 .807 -5 .402 1. 00 0 .00 H ATOMO 325 2HG GLN A 25 4 .137 9 .175 -3 .865 1. ,00 0 .00 H ATOMO 326 1HE2 GLN A 25 4 .979 11 .494 -5 .523 1. ,00 0 .00 H ATOMO 327 2HE2 GLN A 25 6 .678 11 .289 -5 .757 1. ,00 0 .00 H ATOMO 328 N GLU A 26 1 .169 8 .502 -3 .730 1. 00 0 .00 N ATOMO 329 CA GLÜ A 26 -0 .001 9 .370 -3 .687 1. ,00 0 .00 c ATOMO 330 C GLU A 26 0 .198 10 .495 -2 .678 1. 00 0 .00 c ATOMO 331 0 GLU A 26 1 .251 10 .601 -2 .049 1. ,00 0 .00 0 ATOMO 332 CB GLU A 26 -1 .248 8 .562 -3 .330 1. ,00 0 .00 c ATOMO 333 CG GLU A 26 -1 .482 7 .371 -4 .245 1. ,00 0 .00 c ATOMO 334 CD GLU A 26 -2 .789 6 .659 -3 .953 1. ,00 0 .00 c ATOMO 335 OE1 GLU A 26 -2 .851 5 .427 -4 .150 1. ,00 0 .00 0 ATOMO 336 OE2 GLU A 26 -3 .750 7 .334 -3 .529 1. ,00 0 .00 0 ATOMO 337 H GLU A 26 1 .664 8 .327 -2 .904 1. .00 0 .00 H ATOMO 338 HA GLU A 26 -0 .131 9 .801 -4 .668 1. 00 0 .00 H ATOMO 339 1HB GLU A 26 -1 .151 8 .199 -2 .318 1. ,00 0 .00 H ATOMO 340 2HB GLU A 26 -2 .111 9 .207 -3 .389 1. 00 0 .00 H ATOMO 341 1HG GLU A 26 -1 .499 7 .717 -5 .267 1. 00 0 .00 H ATOMO 342 2HG GLU A 26 -0 .670 6 .671 -4 .116 1.00 0 .00 H ATOMO 343 N ARG A 27 -0 .822 11 .333 -2 .528 1. 00 0 .00 N ATOMO 344 CA ARG A 27 -0 .763 12 .453 -1 .596 1. ,00 0 .00 c ATOMO 345 C ARG A 27 -1 .767 12 .272 -0 .464 1. 00 0 .00 c ATOMO 346 O ARG A 27 -2 .884 11 .800 -0 .680 1. 00 0 .00 o ATOMO 347 CB ARG A 27 -1 .036 13 .766 -2 .329 1. 00 0 .00 c ATOMO 348 CG ARG A 27 0 .133 14 .247 -3 .173 1. 00 0 .00 c ATOMO 349 CD ARG 27 0 .127 15 .760 -3 .328 1. 00 0 .00 c ATOMO 350 NE ARG A 27 0 .516 16.173 - .675 1. 00 0 .00 N ATOMO 351 CZ ARG A 27 1 .728 15 .981 -5 .195 1. 00 0 .00 c ATOMO 352 NH1 ARG A 27 2 .682 15 .381 - .489 1. 00 0 .00 N ATOMO 353 NH2 ARG A 27 1. .990 16 .391 -6 .429 1. 00 0 .00 N ATOMO 354 H ARG A 27 -1 .634 11 .196 -3 .058 1. 00 0 .00 H ATOMO 355 HA ARG A 27 0, .232 12 .485 -1 .177 1. 00 0 .00 H ATOMO 356 1HB ARG A 27 -1 .888 13 .631 -2 .979 1. 00 0 .00. H ATOMO 357 2HB ARG A 27 -1. .266 1 .530 -1 .602 1. 00 0 .00 H ATOMO 358 1HG ARG A 27 1, .055 13 .949 -2 .696 1. 00 0 .00 H ATOMO 359 2HG ARG A 27 0, .069 13 .793 -4 .151 1. 00 0 .00 H ATOMO 360 1HD ARG A 27 -0, .869 16 .126 -3, .123 1. 00 0 .00 H ATOMO 361 2HD ARG A 27 0. .819 16 .185 -2 .617 1. 00 0 .00 H ATOMO 362 HE ARG A 27 -0. .163 16 .619 -5, .224 1. 00 0 .00 H ATOMO 363 1HH1 ARG A 27 2. .495 15 .069 -3, .558 1. 00 0 .00 H ATOMO 364 2HH1 ARG A 27 3. .587 15 .242 -4, .889 1. 00 0 .00 H ATOMO 365 1HH2 ARG A 27 1. .279 16. .843 -6, .967 1. 00 0, .00 H ATOMO 366 2HH2 ARG A 27 2. .898 16 .248 -6, .821 1. 00 0 .00 H ATOMO 367 N ASN A 28 -1. ,365 12, .649 0, .746 1. 00 0, .00 N ATOMO 368 CA ASN A 28 -2. .232 12, .527 1, .911 1. 00 0, .00 c ATOMO 369 C ASN A 28 -2. .983 13 .831 2 .166 1. 00 0 .00 c ATOMO 370 O ASN A 28 -2. .892 1 .775 1, .382 1. 00 0, .00 0 ATOMO 371 CB ASN A 28 -1.414 12.139 3.145 1.00 0.00 c ATOMO 372 CG ASN A 28 -0 .393 13 .197 3 .524 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0 .136 14 .128 2 .762 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0 .193 13 .055 4 .707 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .463 13 .018 0 .857 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -2 .951 11 .747 1 .707 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2 .081 11 .995 3 .980 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0 .891 11 .216 2 .946 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 -0 .062 12 .288 5 .261 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 0 .856 13 .724 4 .977 1 .00 0. .00 H ATOMO 381 N GLU A 29 -3 .725 13 .875 3 .269 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4 .491 15 .060 3 .629 1 .00 0. 00 c ATOMO 383 C GLU A 29 -3 .576 16 .268 3 .806 1 .00 0. 00 c ATOMO 384 0 GLU A 29 -3 .974 17 .404 3 .545 1 .00 0. 00 o ATOMO 385 CB GLU A 29 -5 .277 14 .805 4 .915 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -6 .245 13 .637 4 .814 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -7 .261 13 .816 3 .704 1 .00 0. ,00 c ATOMO 388 OE1 GLU A 29 -7 .924 14 .873 3 .671 1 .00 0. 00 0 ATOMO 389 OE2 GLU A 29 -7 .394 12 .898 2 .867 1 .00 0. ,00 0 ATOMO 390 H GLU A 29 -3 .759 13 .092 3 .856 1. .00 0. 00 H ATOMO 391 HA GLU A 29 -5 .185 15 .262 2 .827 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -4 .580 14 .600 5 .714 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5 .839 15 .690 5 .159 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -5 .682 12 .735 4 .624 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -6 .770 13 .542 5 .753 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2 .349 16 .014 4 .250 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1 .378 17 .083 4 .462 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0 .772 17 .541 3 .139 1 .00 0. 00 c ATOMO 399 o ASN A 30 -0 .379 18 .699 2 .996 1 .00 0. 00 0 ATOMO 400 CB ASN A 30 -0 .271 16 .612 5 .408 1 .00 0. 00 c ATOMO 401 CG ASN A 30 -0 .718 16 .595 6 .856 1 .00 0. 00 c ATOMO 402 OD1 ASN A 30 -1 .902 16 .433 7 .151 1 .00 0. 00 0 ATOMO 403 ND2 ASN A 30 0 .231 16 .763 7 .770 1 .00 0. 00 N ATOMO 404 H ASN A 30 -2 .090 15 .089 4 .440 1 .00 0. 00 H ATOMO 405 HA ASN A 30 -1 .895 17 .914 4 .915 1 .00 0. 00 H ATOMO 406 1HB ASN A 30 0 .030 15 .613 5 .131 1 .00 0. 00 H ATOMO 407 2HB ASN A 30 0 .576 17 .276 5 .318 1 .00 0. 00 H ATOMO 408 1HD2 ASN A 30 1 .153 16 .888 7 .462 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0 .030 16 .756 8 .714 1 .00 0. 00 H ATOMO 410 N GLY A 31 -0 .699 16 .628 2 .174 1 .00 0. 00 N ATOMO 411 CA GLY A 31 -0 .140 16 .964 0 .877 1 .00 0. 00 c ATOMO 412 C GLY A 31 1 .226 16 .339 0 .630 1 .00 0. 00 c ATOMO 413 o GLY A 31 1 .779 16 .474 -0 .461 1 .00 0. 00 0 ATOMO 414 H GLY A 31 -1 .028 15 .721 2 .343 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0 .818 16 .624 0 .109 1 .00 0. 00 H ATOMO 416 2HA GLY A 31 -0 .047 18 .039 0 .806 1 .00 0. 00 H ATOMO 417 N HIS A 32 1 .774 15 .655 1 .634 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3 .078 15 .020 1 .495 1 .00 0. 00 c ATOMO 419 C HIS A 32 2 .963 13 .726 0 .696 1 .00 0. 00 c ATOMO 420 O HIS A 32 1 .891 13 .123 0 .624 1 .00 0. 00 0 ATOMO 421 CB HIS A 32 3 .684 14 .743 2 .875 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5 .060 15 .309 3 .046 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 5 .470 16 .483 2 .452 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .123 14 .855 3 .752 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 6 .726 16 .728 2 .784 1, .00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .145 15 .756 3 .572 1 .00 0. 00 N ATOMO 427 H HIS A 32 1 .296 15 .574 2 .482 1 .00 0. 00 H ATOMO 428 HA HIS A 32 3.723 15.701 0.959 1.00 0.00 H ATOMO 429 1HB HIS. A 32 3 .051 15 .182 3 .631 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 3 .740 13 .676 3 .035 1 .00 0. 00 H ATOMO 431 HD1 HIS A 32 .922 17 .054 1 .872 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6 .161 13.953 4 .346 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 7 .309 17 .580 2 .466 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 8 .009 15 .734 4 .032 1 .00 0. 00 H ATOMO 435 N THR A 33 4 .069 13 .304 0 .094 1 .00 0. 00 N ATOMO 436 CA THR A 33 4 .083 12 .081 -0 .700 1 .00 0. 00 C ATOMO 437 C THR A 33 3 .964 10 .849 0 .188 1 .00 0. 00 C ATOMO 438 0 THR A 33 4 .606 10 .759 1 .234 1 .00 0. 00 0 ATOMO 439 CB THR A 33 5 .362 11 .995 -1 .535 1 .00 0. 00 C ATOMO 440 OG1 THR A 33 5 .515 13 .152 -2 .340 1 .00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .392 10 .789 -2 .451 1 .00 0. 00 c ATOMO 442 H THR A 33 4 .893 13 .826 0 .185 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .233 12 .112 -1 .365 1 .00 0. 00 H ATOMO 444 HB THR A 33 6 .211 11 .929 -0 .870 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 5 .656 13 .917 -1 .777 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .413 10 .573 -2 .730 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .813 10 .997 -3 .339 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 4 .970 9 .937 -1 .939 1 .00 0. 00 H ATOMO 449 N VAL A 34 3 .141 9 .901 -0 .244 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .933 8 .667 0 .500 1 .00 0. 00 c ATOMO 451 C VAL A 34 2 .707 7 .500 -ó .450 1 .00 0. 00 c ATOMO 452 O VAL A 34 2 .615 7 .683 -1 .661 1 .00 0. 00 o ATOMO 453 CB VAL A 34 1 .729 8 .781 1 .455 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 2 .035 9 .748 2 .588 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .483 9 .214 0 .698 1 .00 0. 00 c ATOMO 456 H VAL A 34 2 .663 10 .036 -1 .088 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3 .817 8 .472 1 .088 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1 .543 7 .807 1 .884 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 3 .104 9 .815 2 .724 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 1 .578 9 .392 3 .499 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1 .641 10 .724 2 .345 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0, .714 10 .074 0 .087 1 .00 0. oo ¦ H ATOMO 463 2HG2 VAL A 34 -0 .295 9 .471 1 .402 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0 .145 8 .404 0 .068 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .623 6 .301 0 .106 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .408 5 .102 -0 .698 1 .00 0. 00 c ATOMO 467 C TYR A 35 1, .083 4 .440 -0 .331 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0. .843 .118 0 .832 1 .00 0. 00 0 ATOMO 469 CB TYR A 35 3, .561 4 .115 -0 .502 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4. .928 .766 -0 .507 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5, .641 4 .917 -1 .690 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5, .504 5, .227 0 .670 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6, .889 5, .511 -1 .700 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6. .750 5 .823 0 .668 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7, .439 5, .962 -0 .519 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8. .681 6, .554 -0 .524 1 .00 0. 00 o ATOMO 477 H TYR A 35 2. ,708 6 .219 1 .078 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2. .372 5, .398 -1 .736 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3. .439 3 .610 0 .445 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3. .538 3, .387 -1 .297 1, .00 0. 00 H ATOMO 481 HD1 TYR A 35 5. .207 4, .563 -2 .614 1, .00 0. 00 H ATOMO 482 HD2 TYR A 35 4. .962 5. .118 1 .598 1, .00 0. 00 H ATOMO 483 HE1 TYR A 35 7. ,427 5, .619 -2 .629 1, .00 0. 00 H ATOMO 484 HE2 TYR A 35 7. .182 6, .176 1 .594 1. .00 0. 00 H ATOMO 485 HH TYR A 35 8.629 7.412 -0.097 1.00 0.00 H ATOMO 486 N TYR A 36 0.220 4.248 -1.326 1.00 0.00 N ATOMO 487 CA TYR A 36 -1.083 3.634 -1.095 1.00 0.00 C ATOMO 488 C TYR A 36 -1.306 2.431 -2.008 1.00 0.00 C ATOMO 489 0 TYR A 36 -0.575 2.227 -2.977 1.00 0.00 o ATOMO 490 CB TYR A 36 -2.196 4.663 -1.307 1.00 0.00 C ATOMO 491 CG TYR A 36 -2.620 5.367 -0.037 1.00 0.00 C ATOMO 492 CDl TYR A 36 -1.809 6.331 0.548 1.00 0.00 c ATOMO 493 CD2 TYR A 36 -3.831 5.067 0.575 1.00 0.00 c ATOMO 494 CE1 TYR A 36 -2.193 6.977 1.708 1.00 0.00 c ATOMO 495 CE2 TYR A 36 -4.221 5.709 1.735 1.00 0.00 c ATOMO 496 CZ TYR A 36 -3.399 6.663 2.297 1.00 0.00 c ATOMO 497 OH TYR A 36 -3.785 7.303 3.452 1.00 0.00 o ATOMO 498 H TYR A 36 0.462 4.533 -2.234 1.00 0.00 H ATOMO 499 HA TYR A 36 -1.113 3.296 -0.071 1.00 0.00 H ATOMO 500 1HB TYR A 36 -1.854 5.415 -2.002 1.00 0.00 H ATOMO 501 2HB TYR A 36 -3.064 4.168 -1.717 1.00 0.00 H ATOMO 502 HDl TYR A 36 -0.865 6.576 0.085 1.00 0.00 H ATOMO 503 HD2 TYR A 36 -4.471 4.320 0.132 1.00 0.00 H ATOMO 504 HEl TYR A 36 -1.549 7.724 2.148 1.00 0.00 H ATOMO 505 HE2 TYR A 36 -5.166 5.462 2.196 1.00 0.00 H ATOMO 506 HH TYR A 36 -3.895 8.240 3.277 1.00 0.00 H ATOMO 507 N CYS A 37 -2.322 1.639 -1.683 1.00 0.00 N .

ATOMO 508 CA CYS A 37 -2.651 0.447 -2.466 1.00 0.00 c ATOMO 509 C CYS A 37 -3.827 0.717 -3.397 1.00 0.00 c ATOMO 510 O CYS A 37 -4.838 1.288 -2.989 1.00 0.00 o ATOMO 511 CB CYS A 37 -2.986 -0.723 -1.537 00 0.00 c ATOMO 512 SG CYS A 37 -1.522 -1.554 -0.844 00 0.00 s ATOMO 513 H CYS A 37 -2.858 1.857 -0.892 00 0.00 H ATOMO 514 HA CYS A 37 -1.790 0.187 -3.061 00 00 H ATOMO 515 1HB CYS A 37 -3.586 -0.366 -0.713 00 00 H ATOMO 516 2HB CYS A 37 -3.549 -1.461 -2.084 1.00 00 H ATOMO 517 N ARG A 38 -3.680 0.305 -4.652 .00 00 N ATOMO 518 CA ARG A 38 -4.722 0.503 -5.649 .00 00 c ATOMO 519 C ARG A 38 -5.003 -0.791 -6.402 ,00 0.00 c ATOMO 520 O ARG A 38 -4.087 -1.441 -6.905 .00 0.00 o ATOMO 521 CB ARG A 38 -4.314 1.600 -6.632 .00 0.00 c ATOMO 522 CG ARG A 38 -4.001 2.928 -5.963 .00 0.00 c ATOMO 523 CD ARG A 38 -5.257 3.585 -5.418 .00 0.00 c ATOMO 524 NE ARG A 38 -5.161 5.043 -5.430 1.00 0.00 N ATOMO 525 CZ ARG A 38 -6.094 5.858 -4.935 00 0.00 c ATOMO 526 NHl ARG A 38 -7.200 5.366 -4.388 00 0.00 N ATOMO 527 NH2 ARG A 38 -5.918 7.171 -4.988 00 0.00 N ATOMO 528 H ARG A 38 -2.850 -0.141 -4.915 00 0.00 H ATOMO 529 HA ARG A 38 -5.621 0.808 -5.134 00 0.00 H ATOMO 530 1HB ARG A 38 -3.437 1.277 -7.172 00 00 H ATOMO 531 2HB ARG A 38 -5.120 1.757 -7.334 1.00 00 H ATOMO 532 1HG ARG A 38 -3.313 2.755 -5.148 1.00 00 H ATOMO 533 2HG ARG A 38 -3.545 3.587 -6.688 1.00 00 H ATOMO 534 1HD ARG A 38 -6.098 3.283 -6.024 1.00 00 H ATOMO 535 2HD ARG A 38 -5.410 3.251 -4.402 1.00 00 H ATOMO 536 HE ARG A 38 -4.357 5.438 -5.829 00 00 H ATOMO 537 1HH1 . ARG A 38 -7.343 4.378 -4.342 00 0.00 H ATOMO 538 2HH1 . ARG A 38 -7.893 5.987 -4.019 00 0.00 H ATOMO 539 1HH2 : ARG A 38 -5.088 7.548 -5.398 00 0.00 H ATOMO 540 2HH2 ! ARG A 38 -6.616 7.784 -4.617 00 0.00 H ATOMO 541 N ALA A 39 -6.275 -1.155 -6.472 00 0.00 N ATOMO 542 CA ALA A 39 -6.684 -2.370 -7.162 1.00 0.00 C ATOMO 543 C ALA A 39 -6. 508 -2 .232 -8 .671 1. 00 0. 00 c ATOMO 544 0 ALA A 39 -5. 449 -2 .651 -9 .183 1. 00 0. 00 0 ATOMO 545 CB ALA A 39 -8. 129 -2 .706 -6 .826 1. 00 0. 00 c ATOMO 546 OXT ALA A 39 -7. 431 -1 .707 -9 .327 1. 00 0. 00 ó ATOMO 547 H ALA A 39 -6. 953 -0 .591 -6 .049 1. 00 0. 00 H ATOMO 548 HA ALA A 39 -6. 060 -3 .179 -6 .809 1. 00 0. 00 H ATOMO 549 1HB ALA A 39 -8. 178 -3 .137 -5 .836 1. 00 0. 00 H ATOMO 550 2HB ALA A 39 -8. 511 -3 .414 -7 .546 1. 00 0. 00 H ATOMO 551 3HB ALA A 39 -8. 724 -1 .806 -6 .855 1. 00 0. 00 H TER 552 ALA A 39 ENDMDL MODELO 16 ATOMO 1 N GLY A 1 -3. 073 -14 .645 1 .990 1. 00 0. 00 N ATOMO 2 CA GLY A 1 -2. 061 -14 .371 3 .047 1. 00 0. 00 c ATOMO 3 C GLY A 1 -2. 101 -12 .935 3 .532 1. 00 0. 00 c ATOMO 4 O GLY A 1 -3. 088 -12 .229 3 .322 1. 00 0. 00 0 ATOMO 5 1H GLY A 1 -3. 485 -15 .590 2 .126 1. 00 0. 00 H ATOMO 6 2H GLY A 1 -2. 629 -14 .605 1 .050 1. 00 0. 00 H ATOMO 7 3H GLY A 1 -3. 834 -13 .938 2 .032 1. 00 0. 00 H ATOMO 8 1HA GLY A 1 -2. 243 -15 .027 3 .885 1'. 00 0. 00 H ATOMO 9 2HA GLY A 1 -1. 077 -14 .578 2 .649 1. 00 0. 00 H ATOMO 10 N SER A 2 -1. 026 -12 .501 4 .181 1. 00 0. 00 N ATOMO 11 CA SER A 2 -0. 942 -11 .139 4 .697 1. 00 0. 00 c ATOMO 12 C SER A 2 -0. 685 -10 .146 3 .569 1. 00 0. 00 c ATOMO 13 o SER A 2 0. 284 -10 .278 2 .821 1. 00 0. 00 0 ATOMO 14 CB SER A 2 0. 166 -11 .036 5 .747 1. 00 0. 00 c ATOMO 15 OG SER A 2 0. 300 -9 .707 6 .218 1. 00 0. 00 o ATOMO 16 H SER A 2 -0. 271 -13 .110 4 .316 1. 00 0. 00 H ATOMO 17 HA SER A 2 -1. 889 -10 .903 5 .160 1. 00 0. 00 H ATOMO 18 1HB SER A 2 -0. 072 -11, .679 6 .582 1. 00 0. 00 H ATOMO 19 2HB SER A 2 1. 103 -11 .347 5 .309 1. 00 0. 00 H ATOMO 20 HG SER A 2 1. 209 -9 .553 6 .488 1. 00 0. 00 H ATOMO 21 N CYS A 3 -1. 557 -9 .149 3 .455 1. 00 0. 00 N ATOMO 22 CA CYS A 3 -1. 424 -8, .133 2 .421 1. 00 0. 00 c ATOMO 23 C CYS A 3 -2. 051 -6 .818 2 .872 1. 00 0. 00 c ATOMO 24 0 CYS A 3 -2. 766 -6. .770 3 .872 1. 00 0. 00 o ATOMO 25 CB CYS A 3 -2. 077 -8. .603 1 .117 1. 00 0. 00 c ATOMO 26 SG CYS A 3 -3. 852 -8. .995 1 .265 1. 00 0. 00 S ATOMO 27 H CYS A 3 -2. 307 -9. .095 4 .082 1. 00 0. 00 H ATOMO 28 HA CYS A 3 -0. 369 -7. .973 2 .246 1. 00 0. 00 H ATOMO 29 1HB CYS A 3 -1. 975 ,-7, .828 0 .373 1. 00 0. 00 H ATOMO 30 2HB CYS A 3 -1. 571 '-9. .492 0 .772 1. 00 0. 00 H ATOMO 31 N VAL A 4 -1. 780 -5, .758 2 .123 1. 00 0. 00 N ATOMO 32 CA VAL A 4 -2. 313 -4. .443 2 .432 1. 00 0. 00 c ATOMO 33 C VAL A 4 -3. 665 -4 , .234 1 .743 1. 00 0. 00 c ATOMO 34 0 VAL A 4 -3. 793 -4. .487 0 .550 1. 00 0. 00 0 ATOMO 35 CB VAL A 4 -1. 328 -3, .349 1 .979 1. 00 0. 00 c ATOMO 36 CG1 VAL A 4 -1. 883 -1. .959 2 .247 1. 00 0. 00 c ATOMO 37 CG2 VAL A 4 0. 012 -3. .540 2 .668 1. 00 0. 00 c ATOMO 38 H VAL A 4 -1. 205 -5. .860 1 .338 1. 00 0. 00 H ATOMO 39 HA VAL A 4 -2. 433 -4. .373 3 .500 1. 00 0. 00 H ATOMO 40 HB VAL A 4 -1. 177 -3. .453 0 .916 1. 00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1. 094 -1. .231 2 .143 1. 00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2. 283 -1, .919 3 .248 1. 00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2. 668 -1. .745 1. .537 1. 00 0. 00 H ATOMO 44 1HG2 VAL A 4 0. 564 -4. .322 2 .168 1. 00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0.151 -3.818 3.700 1.00 0.00 H ATOMO 46 3HG2 VAL A 4 0.573 -2 .619 2.628 1.00 0.00 H ATOMO 47 N PRO A 5 -4.696 -3 .759 2.469 1.00 0.00 N ATOMO 48 CA PRO A 5 -6.014 -3 .530 1.874 1.00 0.00 C ATOMO 49 C PRO A 5 -5.986 -2 .405 0.846 1.00 0.00 C ATOMO 50 O PRO A 5 -5.375 -1 .352 1.068 1.00 0.00 O ATOMO 51 CB PRO A 5 -6.905 -3 .147 3.067 1.00 0.00 C ATOMO 52 CG PRO A 5 -6.118 -3 .501 4.287 1.00 0.00 C ATOMO 53 CD PRO A 5 -4.673 -3 .403 3.896 1.00 0.00 C ATOMO 54 HA PRO A 5 -6.396 -4 .430 1.409 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7.121 -2 .091 3.031 1.00 0.00 H ATOMO 56 2HB PRO A 5 -7.827 -3 .707 3.020 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6.340 -2 .803 5.080 1.00 0.00 H ATOMO , 58 2HG RO A 5 -6.356 -4 .508 4.595 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4.309 -2 .396 4.038 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4.082 -4 .104 4.462 1.00 0.00 H ATOMO 61 N VAL A 6 -6.660 2 .619 -0.281 1.00 0.00 N ATOMO 62 CA VAL A 6 -6.714 -1 .618 -1.328 1.00 0.00 C ATOMO 63 C VAL A 6 -7.299 -0 .328 -0.783 1.00 0.00 C ATOMO 64 o VAL A 6 -8.096 -0 .346 0.155 1.00 0.00 O ATOMO 65 CB VAL A 6 -7.532 -2 .114 -2.534 1.00 0.00 C ATOMO 66 CG1 VAL A 6 -7.626 -1 .049 -3.615 1.00 0.00 C ATOMO 67 CG2 VAL A 6 -6.907 -3 .379 -3.092 1.00 0.00 C ATOMO 68 H VAL A 6 -7.138 -3 .458 -0.403 1.00 0.00 H ATOMO 69 HA VAL A 6 -5.702 -1 .429 -1.658 1.00 0.00 H ATOMO 70 HB VAL A 6 -8.531 -2 .347 -2.199 1.00 0.00 H ATOMO 71 1HG1 VAL A 6 -8.004 -0 .133 -3.184 1.00 0.00 H ATOMO 72 2HG1 VAL A 6 -8.294 -1 .384 -4.393 1.00 0.00 H ATOMO 73 3HG1 VAL A 6 -6.646 -0 .874 -4.031 1.00 0.00 H ATOMO 74 1HG2 VAL A 6 -5.845 -3 .367 -2.897 1.00 0.00 H ATOMO 75 2HG2 VAL A 6 -7.079 -3 .426 -4.156 1.00 0.00 H ATOMO 76 3HG2 VAL A 6 -7.351 -4 .239 -2.615 1.00 0.00 H ATOMO 77 N ASP A 7 -6.863 0 .787 -1.349 1.00 0.00 N ATOMO 78 CA ASP A 7 -7.295 2 .099 -0.909 1.00 0.00 C ATOMO 79 C ASP A 7 -6.657 2 .457 0.436 1.00 0.00 C ATOMO 80 O ASP A 7 -6.985 3 .489 1.022 1.00 0.00 O ATOMO 81 CB ASP A 7 -8.819 2 .173 -0.816 1.00 0.00 C ATOMO 82 CG ASP A 7 -9.502 1 .667 -2.072 1.00 0.00 C ATOMO 83 OD1 ASP A 7 -9.914 0 .489 -2.090 1.00 0.00 O ATOMO 84 OD2 ASP A 7 -9.625 2 .450 -3.038 1.00 0.00 O ATOMO 85 H ASP A 7 -6.209 0 .728 -2.061 1.00 0.00 H ATOMO 86 HA ASP A 7 -6.958 2 .813 -1.647 1.00 0.00 H ATOMO 87 1HB ASP A 7 -9.152 1 .574 0.017 1.00 0.00 H ATOMO 88 2HB ASP A 7 -9.107 3 .196 -0.660 1.00 0.00 H ATOMO 89 N GLN A 8 -5.730 1 .614 0.925 1.00 0.00 N ATOMO 90 CA GLN A 8 -5.061 1 .885 2.186 1.00 0.00 C ATOMO 91 C GLN A 8 -3.565 2 .090 1.960 1.00 0.00 C ATOMO 92 O GLN A 8 -3.010 1 .607 0.973 1.00 0.00 O ATOMO 93 CB GLN A 8 -5.291 0 .745 3.179 1.00 0.00 C ATOMO 94 CG GLN A 8 -6.753 0 .360 3.334 1.00 0.00 C ATOMO 95 CD GLN A 8 -7.621 1 .529 3.756 1.00 0.00 C ATOMO 96 OE1 GLN A 8 -7.117 2 .581 4.148 1.00 0.00 O ATOMO 97 NE2 GLN A 8 -8.934 1. .349 3.678 1.00 0.00 N ATOMO 98 H GLN A 8 -5.483 0. .804 0.426 1.00 0.00 H ATOMO 99 HA GLN A 8 -5.478 2 .792 2.588 1.00 0.00 H ATOMO 100 1HB GLN A 8 -4.743 -0. .124 2.846 1.00 0.00 H ATOMO 101 2HB GLN A 8 -4.916 1, .045 4.147 1,00 0.00 H ATOMO 102 1HG GLN A 8 -7.115 -0.015 2.389 1.00 0.00 H ATOMO 103 2HG GLN A 8 -6. 829 -0. 416 4. 082 1 .00 0. 00 H ATOMO 104 1HE2 GLN A 8 -9. 265 0. 484 3. 358 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9. 519 2. 0B9 3. 944 1 .00 0. 00 H ATOMO 106 N PRO A 9 -2. 886 2. 824 2. 862 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1. 454 3. 096 2. 727 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0. 591 1. 847 2. 843 1 .00 0. 00 c ATOMO 109 0 PRO A 9 -0. 854 0. 961 3. 656 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1. 147 4. 058 3. 874 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2. 251 3. 865 4. 857 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3. 459 3. 462 4. 063 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1. 239 3. 583 1. 789 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 186 3. 812 4. 306 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 123 5. 065 3. 493 1 .00 0. 00 H' ATOMO 116 1HG PRO A 9 -1. 986 3. 085 5. 556 1 .00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 442 4. 787 5. 380 1 .00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 058 2. 760 4. 623 1 .00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 046 4. 328 3. 796 1 .00 0. 00 H ATOMO 120 N CYS A 10 0. 452 1. 807 2. 027 1 .00 0. 00 N ATOMO 121 CA CYS A 10 1. 390 0. 692 2. 022 1 .00 0. 00 c ATOMO 122 C CYS A 10 2. 822 1. 202 2. 126 1 .00 0. 00 c ATOMO 123 O CYS A 10 3. 058 2. 405 2. 235 1 .00 0. 00 0 ATOMO 124 CB CYS A 10 1. 225 -0. 146 0. 752 1 .00 0. 00 c ATOMO 125 SG CYS A 10 1. 066 0. 835 -0. 776 1 .00 0. 00 s ATOMO 126 H CYS A 10 0. 601 2. 556 1. 415 1 .00 0. 00 H ATOMO 127 HA CYS A 10 1. 177 0. 075 2. 882 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 2. 084 -0. 789 0. 640 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 340 -0. 753 0. 847 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 773 0. 280 2. 087 1 .00 0. 00 N ATOMO 131 CA SER A 11 5. 186 0. 633 2. 175 1 .00 0. 00 c ATOMO 132 C SER A 11 6. 034 -0. 302 1. 319 1 .00 0. 00 c ATOMO 133 o SER A 11 5. 629 -1. 425 1. 018 1 .00 0. 00 o ATOMO 134 CB SER A 11 5. 657 0. 583 3. 630 1 .00 0. 00 c ATOMO 135 0G SER A 11 5. 529 1. 850 4. 252 1 .00 0. 00 o ATOMO 136 H SER A 11 3. 520 -0. 660 1. 997 1 .00 0. 00 H ATOMO . 137 HA SER A 11 5. 298 1. 641 1. 804 1 .00 0. 00 H ATOMO 138 1HB SER A 11 5. 060 -0. 133 4. 175 1 .00 0. 00 H ATOMO 139 2HB SER A 11 6. 694 0. 283 3. 659 1 .00 0. 00 H ATOMO 140 HG SER A 11 6. 234 1. 965 4. 893 1 .00 0. 00 H ATOMO 141 N LEU A 12 7. 214 0. 169 0. 929 1 .00 0.00 N ATOMO 142 CA LEU A 12 8. 120 -0. 626 0. 105 1 .00 0. 00 c ATOMO 143 C LEU A 12 8. 796 -1. 738 0. 913 1 .00 0. 00 c ATOMO 144 0 LEU A 12 9. 376 -2. 660 0. 340 1 .00 0. 00 o ATOMO 145 CB LEU A 12 9. 185 0. 263 -0. 549 1 .00 0. 00 c ATOMO 146 CG LEU A 12 9. 785 1. 352 0. 346 1 .00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 260 0. 767 1. 667 1 .00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 932 2. 047 -0. 369 1 .00 0. 00 c ATOMO 149 H LEU A 12 7. 480 1. 071 1. 200 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7. 530 -1. 084 -0. 675 1 .00 0. 00 H ATOMO 151 1HB LEU A 12 9. 988 -0. 371 -0. 893 1 .00 0. 00 H ATOMO 152 2HB LEU A 12 8. 740 0. 744 -1. 408 1 .00 0. 00 H ATOMO 153 HG LEU A 12 9. 030 2. 092 0. 561 1 .00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 010 1. 413 2. 098 1 .00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 6B4 -0. 212 1. 495 1 .00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 423 0. 683 2. 345 1 .00 0. 00 H ATOMO 157 1HD2 LEU A 12 10. 661 2. 216 -1. 401 .1 .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 813 1. 426 -0. 325 1 .00 0. 00 H ATOMO 159 3HD2 LEU A 12 11.132 2.994 0.109 1.00 0.00. H ATOMO 160 N ASN A 13 8. 724 -1. 651 2. 242 1. 00 0. 00 N ATOMO 161 CA ASN A 13 9. 333 -2. 657 3. 104 1. 00 0. 00 C ATOMO 162 C ASN A 13 8. 279 -3. 540 3. 777 1. 00 0. 00 C ATOMO 163 0 ASN A 13 8. 600 -4. 313 4. 681 1. 00 0. 00 o ATOMO 164 CB ASN A 13 10. 198 -1. 984 4. 171 1. 00 0. 00 C ATOMO 165 CG ASN A 13 11. 442 -1. 343 3. 588 1. 00 0. 00 C ATOMO 166 OD1 ASN A 13 11. 707 -0. 161 3. 807 1. 00 0. 00 0 ATOMO 167 ND2 ASN A 13 12. 214 -2. 123 2. 839 1. 00 0. 00 N ATOMO 168 H ASN A 13 8. 253 -0. 902 2. 654 1. 00 0. 00 H ATOMO 169 HA ASN A 13 9. 963 -3. 279 2. 488 1. 00 0. 00 H ATOMO 170 1HB ASN A 13 9. 619 -1. 218 4. 664 1. 00 0. 00 H ATOMO 171 2HB ASN A 13 10. 503 -2. 723 4. 898 1. 00 0. 00 H ATOMO 172 1HD2 ASN A 13 11. 940 -3. 055 2. 708 1. 00 0. 00 H ATOMO 173 2HD2 ASN A 13 13. 024 -1. 736 2. 449 1. 00 0. 00 H ATOMO 174 N THR A 14 7. 023 -3. 428 3. 343 1. 00 0. 00 N ATOMO 175 CA THR A 14 5. 947 -4. 224 3. 918 1. 00 0. 00 c ATOMO 176 C THR A 14. 5. 411 -5. 227 2. 903 1. 00 0. 00 c ATOMO 177 O THR A 14 5. 934 -5. 347 1. 795 1. 00 o, 00 o ATOMO 178 CB THR A 14 4. 815 -3. 314 4. 398 1. 00 0. 00 c ATOMO 179 OG1 THR A 14 4. 248 -2. 602 3. 312 1. 00 0. 00 o ATOMO 180 CG2 THR A 14 5. 260 -2. 29B 5. 429 1. 00 0. 00 c ATOMO 181 H THR A 14 6. 813 -2. 802 2. 622 1. 00 0. 00 H ATOMO 182 HA THR A 14 6. ,347 -4. 761 4. 764 1. 00 0. 00 H ATOMO 183 HB THR A 14 4. 043 -3. 922 4. 847 1. 00 0. 00 H ATOMO 184 HG1 THR A 14 3. ,326 -2. 413 3. 500 1. 00 0. 00 H ATOMO 185 1HG2 THR A 14 4. 497 -1. 542 5. 543 1. 00 0. 00 H ATOMO 186 2HG2 THR A 14 6. ,180 -1. 835 5. 105 1. 00 0. 00 H ATOMO 187 3HG2 THR A 14 5. ,420 -2. 793 6. 376 1. 00 0. 00 H ATOMO 188 N GLN A 15 4. ,363 -5. 944 3. 289 1. 00 0. 00 N ATOMO 189 CA GLN A 15 3. 749 -6. 938 2. 421 1. 00 0. 00 c ATOMO 190 C GLN A 15 3. 015 -6. 265 1. 258 1. 00 0. 00 c ATOMO 191 O GLN A 15 2. 612 -5. 106 1. 364 1. 00 0. 00 o ATOMO 192 CB GLN A 15 2. 776 -7. 800 3. 224 1. 00 0. 00 c ATOMO 193 CG GLN A 15 3. 416 -8. 484 4. 421 1. 00 0. 00 c ATOMO 194 CD GLN A 15 4. 260 -9. 679 4. 026 1. 00 0. 00 c ATOMO 195 OE1 GLN A 15 4. 194 -10. 154 2.891 1. 00 0. 00 o ATOMO 196 NE2 GLN A 15 5. 060 -10. 175 4. 964 1. 00 0. 00 N ATOMO 197 H GLN A 15 3. 990 -5. 803 4. 183 1. 00 0. 00 H ATOMO 198 HA GLN A 15 4. 533 -7. 565 2. 025 1. 00 0. 00 H ATOMO 199 1HB GLN A 15 1. 971 -7. 176 3. 583 1. 00 0. 00 H ATOMO 200 2HB GLN A 15 2. ,369 -8. 559 2. 578 1. 00 0. 00 H ATOMO 201 1HG GLN A 15 4. 046 -7. 771 4. 932 1. 00 0. 00 H ATOMO 202 2HG GLN A 15 2. 635 -8. 816 5. 089 1. 00 0. 00 H ATOMO 203 1HE2 GLN A 15 5. 060 -9. 747 5. 845 1. 00 0. 00 H ATOMO 204 2HE2 GLN A 15 5. 617 -10. 948 4. 735 1. 00 0. 00 H ATOMO 205 N PRO A 16 2. 823 -6. 979 0. 130 1. 00 0. 00 N ATOMO 206 CA PRO A 16 2. 126 -6. 426 -1. 038 1. 00 0. 00 c ATOMO 207 C PRO A 16 0. 684 -6. 056 -0. 716 1. 00 0. 00 c ATOMO 208 0 PRO A 16 0. 233 -6. 218 0. 418 1. 00 0. 00 o ATOMO 209 CB PRO A 16 2. 174 -7. 561 -2. 067 1. 00 0. 00 c ATOMO 210 CG PRO A 16 2. 414 -8. 797 -1. 269 1. 00 0. 00 c ATOMO 211 CD PRO A 16 3. 255 -8. 371 -0. 101 1. 00 0. 00 c ATOMO 212 HA PRO A 16 2. 640 -5. 559 -1. 429 1. 00 0. 00 H ATOMO 213 1HB PRO A 16 1. ,232 -7. 611 -2. 595 1. 00 0. 00 H ATOMO 214 2HB PRO A 16 2. ,976 -7. 383 -2. 767 1. 00 0. 00 H ATOMO 215 1HG PRO A 16 1. ,475 -9. 203 -0. 926 1. 00 0. 00 H ATOMO 216 2HG PRO A 16 2.944 -9.523 -1.867 1.00 0.00 H ATOMO 217 1HD PRO A 16 3. 0 8 -8. 990 0 .760 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4. 305 -8. 412 -0 .354 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0. 038 -5. 558 -1 .714 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1. 429 -5. 169 -1 .523 1 .00 0. 00 c ATOMO 221 C CYS A 17 -2. 359 -6. 366 -1 .683 1 .00 0. 00 c ATOMO 222 0 CYS A 17 -1. 924 -7. 473 -1 .997 1 .00 0. 00 o ATOMO 223 CB CYS A 17 -1. 820 -4. 065 -2 .507 1 .00 .0. 00 c ATOMO 224 SG CYS A 17 -0. 764 -2. 583 -2 .428 1 .00 0. 00 s ATOMO 225 H CYS A 17 0. 372 -5. 450 -2 .597 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1. 529 -4. 789 -0 .517 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1. 767 -4. 453 -3 .513 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2. 833 -3. 756 -2 .299 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3. 643 -6. 127 -i .454 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4. 657 -7. 168 -1 .557 1 .00 0. 00 c ATOMO 231 C CYS A 18 -5. 455 -7. 018 -2 .847 1 .00 0. 00 c ATOMO 232 0 CYS A 18 -5. 384 -5. 990 -3 .518 1 .00 0. 00 o ATOMO 233 CB CYS A 18 -5. 600 -7. 102 -0 .353 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4. 757 -7. 178 1 .261 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3. 915 -5. 222 -1 .202 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4. 156 -8. 123 -1 .562 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6. 151 -6. 174 -0 .389 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6. 294 -7. 927 -0 .401 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6. 216 -8. 052 -3 .190 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -7. 031 -8. 038 -4 .403 1 .00 0. 00 c ATOMO 241 C ASP A 19 -6. 183 -7. 723 -5 .633 1 .00 0. 00 c ATOMO 242 0 ASP A 19 -6. 664 -7. 125 -6 .596 1 .00 0. 00 o ATOMO 243 CB ASP A 19 -8. 159 -7. 013 - .272 1 .00 0.00 c ATOMO 244 CG ASP A 19 -9. 258 -7. 478 -3 .337 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -9. 855 -6. 623 -2 .651 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -9. 522 -8. 699 -3 .292 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6. 229 -8. 842 -2 .613 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7. 463 -9. 020 -4 .522 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 755 -6. 089 -3 .890 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8. 591 -6. 837 -5 .247 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4. 918 -8. 128 -5 .591 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3. 994 -7. 892 -6 .694 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3. 750 -6. 400 -6, .893 1 .00 0. 00 c ATOMO 254 O ASP A 20 -3. 612 -5. 928 -8 .022 1 .00 0. 00 o ATOMO 255 CB ASP A 20 -4. 529 -8. 513 -7. .986 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -5. 012 -9. 937 -7 .789 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -4. 506 -10. 612 -6, .868 1 .00 0. 00 o ATOMO 258 OD2 ASP A 20 -5. 897 -10. 375 -8, .554 1 .00 0. 00 o ATOMO 259 H ASP A 20 -4. 595 -8. .598 -4, .794 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -3. 057 -8. 362 -6, .442 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -5. 355 -7. 920 -8, .350 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -3. 743 -8. 518 -8, .727 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3. 690 -5. 662 -5. .788 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3. 452 -4. 224 -5, .844 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1. 969 -3. 924 -6. .014 1 .00 0. 00 c ATOMO 266 O ALA A 21 -1. 139 -4. 834 -6, ;035 1 .00 0. 00 ,0 ATOMO 267 CB ALA A 21 -3. 985 -3. 544 -4. .590 1 .00 0. 00 'c ATOMO 268 H ALA A 21 -3. 803 -6. 098 -4, .917 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3. 990 -3. 830 -6. .694 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -4. 019 -4. 257 -3. .781 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4. 979 -3. 166 -4. ,778 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3. 335 -2. 724 -4. .318 1 .00 0. 00 H ATOMO 273 N THR A 22 -1.641 -2.644 -6.133 1.00 0.00 N ATOMO 274 CA THR A 22 -0. 259 -2. 223 -6. 300 1, .00 0. 00 C ATOMO 275 C THR A 22 0. 035 -0. 987 -5. 457 1 .00 0. 00 C ATOMO 276 0 THR A 22 -0. 791 -0. 077 -5. 364 1 .00 0. 00 0 ATOMO 277 CB THR A 22 0. 028 -1. 932 -7. 773 1 .00 0. 00 c ATOMO 27B OG1 THR A 22 -0. 255 -3. 067 -8. 573 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 462 -1. 534 -8. 032 1 .00 0. 00 c ATOMO 280 H THR A 22 -2. 345 -1. 965 -6. 110 1 .00 0. 00 H ATOMO 281 HA THR A 22 0. 377 -3. 031 -5. 970 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. 605 -1. 120 -8. 098 1 .00 0. 00 H ATOMO 283 HG1 THR A 22 0. 244 -3. 820 -8. 248 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1. 550 -0. 458 -7. 985 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 1. 758 -1. 877 -9. 011 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 2. 100 -1. 980 -7. 284 1 .00 0. 00 H ATOMO 287 N CYS A 23 1. 216 -0. 959 -4. 848 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1. 621 0. 168 -4. 020 1 .00 0. 00 c ATOMO 289 C CYS A 23 2. 091 1. 319 -4. 909 1 .00 0. 00 c ATOMO 290 O CYS A 23 3. 109 1. 211 -5. 592 1 .00 0. 00 o ATOMO 291 CB C S A 23 2. 737 -0. 262 -3. 063 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2. 925 0. 801 -1. 594 1 .00 0. 00 S ATOMO 293 H CYS A 23 1. 831 -1. 714 -4. 964 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0. 765 0. 491 -3. 447 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2. 535 -1. 263 -2. 716 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3. 678 -0. 256 -3. 595 1 .00 0. 00 H ATOMO 297 N THR A 24 1. 327 2. 409 -4. 920 1 .00 0. 00 N ATOMO 298 CA THR A 24 1. 646 3. 563 -5. 748 1 .00 0. 00 c ATOMO 299 C THR A 24 1. 811 4. 833 -4. 916 1 .00 0. 00 c ATOMO 300 O THR A 24 1. 270 4. 957 -3. 818 1 .00 0. 00 0 ATOMO 301 CB THR A 24 0. 548 3. 765 -6. 802 1 .00 0. 00 c ATOMO 302 0G1 THR A 24 0. 559 2. 705 -7. 744 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0. 667 5. 065 -7. 576 1 .00 0. 00 c ATOMO 304 H THR A 24 0. 517 2. 431 -4. 373 1 .00 0. 00 H ATOMO 305 HA THR A 24 2. 577 3. 358 -6. 254 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0. 413 3. 763 -6. 306 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 0. 525 1. 865 -7. 281 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 602 5. 897 -6. 888 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 131 5. 130 -8. 298 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 620 5. 094 -8. 084 1 .00 0. 00 H ATOMO 311 N GLN A 25 2. 552 5. 778 -5. 481 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2. 798 7. 062 -4. 850 1 .0.0 0. 00 c ATOMO 313 C GLN A 25 1. 552 7. 943 -4. 939 1 .00 0. 00 c ATOMO 314 0 GLN A 25 0. 987 8. 132 -6. 016 1 .00 0. 00 o ATOMO 315 CB GLN A 25 3. 988 7. 748 -5. 531 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4. 223 9. 174 -5. 066 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5. 586 9. 705 -5. 467 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 5. 711 10. 462 -6. 428 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 6. 617 9. 309 -4. 729 1 .00 0. 00 N ATOMO 320 H GLN A 25 2. 935 5. 609 -6. 364 1 .00 0. 00 H ATOMO 321 HA GLN A 25 3. 036 6. 891 -3. 811 1 .00 o.. 00 H ATOMO 322 1HB GLN A 25 4. 882 7. 176 -5. 328 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3. 817 7. 763 -6. 596 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3. 464 9. 804 -5. 501 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 140 9. 202 -3. 992 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 6. 443 8. 704 -3. 978 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 7. 509 9. 638 -4. 966 1 .00 0. 00 H ATOMO 328 N GLÜ A 26 1. 136 8. 482 -3. 801 1 .00 0. 00 N ATOMO 329 CA GLU A 26 -0. 037 9. 346 -3. 743 1 .00 0. 00 c ATOMO 330 C GLU A 26 0.157 10.449 -2..708 1.00 0.00 c ATOMO 331 0 GLU A 26 1 .204 10 .536 -2. ,067 1 .00 0. 00 0 ATOMO 332 CB GLU A 26 -1 .286 8 .531 -3. .411 1 .00 0. 00 C ATOMO 333 CG GLÜ A 26 -1 .508 7 .352 -4. .344 1 .00 0. 00 C ATOMO 334 CD GLU A 26 -2 .8.11 6 .627 -4. ,070 1 .00 0. 00 c ATOMO 335 OE1 GLU A 26 -2 .916 5 .437 -4, .435 1 .00 0. 00 0 ATOMO 336 0E2 GLU A 26 -3 .724 7 .247 -3. ,488 1 .00 0. 00 0 ATOMO 337 H GLU A 26 1 .631 8 .295 -2. .978 1 .00 0. 00 H ATOMO 338 HA GLÜ A 26 -0 .162 9 .799 -4. .715 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .198 8 .154 -2. .403 1 .00 0. 00 H ATOMO 340 2HB GLÜ A 26 -2 .150 9 .175 -3. .470 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .523 7 .713 -5, .361 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .691 6 .656 -4. ,223 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0 .857 11 .292 -2. .554 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0 .800 12 .391 -1, ,601 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1 .733 12 .138 -0, .421 1 .00 0. 00 c ATOMO 346 O ARG A 27 -2 .782 11 .512 -0, .572 1 .00 0. 00 0 ATOMO 347 CB ARG A 27 -1 .174 13 .700 -2 .295 1 .00 0. 00 c ATOMO 348 CG ARG A 27 -0 .334 13 .996 -3, .527 1 .00 0. 00 c ATOMO 349 CD ARG A . 27 -0 .070 15 .484 -3, .680 1 .00 0. 00 c ATOMO 350 NE ARG A 27 0 .809 15 .772 -4, ,813 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 1 .190 16 .999 -5, .171 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 0 .776 18 .062 -4, .490 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 1 .990 17 .162 -6, .215 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1 .662 11 .174 -3, .096 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0 .214 12 .463 -1. ,236 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -2 .211 13 .652 -2, .594 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .048 14 .510 -1. .597 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0 .610 13 .480 -3. .440 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0 .861 13 .641 -4. .403 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 -1 .011 15 .992 -3. .830 1 .00 0. 00 H ATOMO 361 2HD ARG A 27 0 .395 15 .849 -2. .775 1 .00 0. 00 H ATOMO 362 HE ARG A 27 1 .132 15 .010 -5. .337 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 0 .173 17 .950 -3. .701 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 1 .069 18 .977 -4. .768 1 .00 0. 00 H ATOMO 365 1HH2 ARG A 27 2 .305 16 .367 -6. .733 1 .00 0. 00 H ATOMO 366 2HH2 ARG A 27 2 .277 18 .080 -6. ,487 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1 .345 12 .626 0. .754 1 .00 0. 00 N ATOMO 368 CA ASN A 28 -2 .151 12 .448 1. ,956 1 .00 0. 00 c ATOMO 369 C ASN A 28 -2 .920 13 .723 2. .294 1 .00 0. 00 c ATOMO 370 O ASN A 28 -2 .889 14 .696 1. ,541 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1 .266 12 .043 3. ,136 1 .00 0. 00 c ATOMO 372 CG ASN A 28 -0 .246 13 .106 3. .492 1 .00 0. 00 c ATOMO 373 OD1 ASN A 28 -0 .088 14 .094 2. ,776 1 .00 0. 00 o ATOMO 374 ND2 ASN A 28 0 .453 12 .908 4. , 603 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .499 13 .117 0, .812 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -2 .861 11 .657 1. .763 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -1 .888 11 .865 4. ,001 1 ,00 0. 00 H ATOMO 378 2HB ASN A 28 -0 .739 11 .133 2. ,886 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 0 .274 12 .098 5. ,125 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 1 .119 13 .581 4. ,858 1.00 0. 00 H ATOMO 381 N GLÜ A 29 -3 .610 13 .707 3. 429 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4 .390 1 .855 3. 869 1 .00 0. 00 c ATOMO 383 C GLÜ A 29 -3 .504 16 .082 4. ,064 1 .00 0. 00 c ATOMO 384 O GLÜ A 29 -3 .950 17 .215 3. ,890 1 .00 0. 00 0 ATOMO 385 CB GLU A 29 -5 .117 1 .524 5. 173 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -4 .182 14 .256 6. 341 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -4.922 13.830 7.594 1.00 0.00 C ATOMO 388 OE1 GLU A 29 -6. 065 13. 342 7. 471 1. 00 0. 00 0 ATOMO 389 OE2 GLU A 29 -4. 357 13. 984 8. 698 1. 00 0. 00 0 ATOMO 390 H GLU A 29 -3. 598 12. 901 3. 986 1. 00 0. 00 H ATOMO 391 HA GLU A 29 -5. 121 15. 072 3. 105 1. 00 0. 00 H ATOMO 392 1HB GLU A 29 -5. 756 15. 352 5. 433 1. 00 0. 00 H ATOMO 393 2HB GLU A 29 -5. 726 13. 646 5. 018 1. 00 0. 00 H ATOMO 394 1HG GLU A 29 -3. 495 13. 472 6. 063 1. 00 0. 00 H ATOMO 395 2HG GLU A 29 -3 . 629 15. 159 6. 556 1. 00 0. 00 H ATOMO 396 N ASN A 30 -2 . 246 15. 848 4. 427 1. 00 0. 00 N ATOMO 397 CA ASN A 30 -1. 301 16. 936 4. 648 1. 00 0. 00 c ATOMO 398 C ASN A 30 -0. 743 17. 458 3. 326 1. 00 0. 00 c ATOMO 399 O ASN A 30 -0. 387 18. 630 3. 213 1. 00 0. 00 0 ATOMO 400 CB ASN A 30 -0. 156 16. 471 5. 549 1. 00 0. 00 c ATOMO 401 CG ASN A 30 -0. 539 16. 469 7. 016 1. 00 0. 00 c ATOMO 402 OD1 ASN A 30 -1. 177 15. 534 7. 501 1. 00 0. 00 0 ATOMO 403 ND2 ASN A 30 -0. 152 17. 519 7. 730 1. 00 0. 00 N ATOMO 404 H ASN A 30 -1. 948 14. 923 4. 553 1. 00 0. 00 H ATOMO 405 HA ASN A 30 -1. 830 17. 738 5. 141 1. 00 0. 00 H ATOMO 406 1HB ASN A 30 0. 129 15. 468 5. 269 1. 00 0. 00 H ATOMO 407 2HB ASN A 30 0. 689 17. 132 5. 417 1. 00 0. 00 H ATOMO 408 1HD2 ASN A 30 0. 353 18. 226 7. 277 1. 00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0'. 386 17. 544 8. ,681 1. 00 0. 00 H ATOMO 410 N GLY A 31 -0. 669 16. 581 2. 330 1. 00 0. 00 N ATOMO 411 CA GLY A 31 -0. 152 16. 977 1. 030 1. 00 0. 00 c ATOMO 412 C GLY A 31 1. 209 16. 373 0. 713 1. 00 0. 00 c ATOMO 413 O GLY A 31 1, 725 16. 552 -0. 390 1. 00 0. 00 o ATOMO 414 H GLY A 31 -0. 966 15. 658 2. 475 1. 00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 852 16. 667 0. 270 1. 00 0. 00 H ATOMO 416 2HA GLY A 31 -0. 067 18. 054 1. 004 1. 00 0. 00 H ATOMO 417 N HIS A 32 1. 797 15. 658 1. 673 1. 00 0. 00 N ATOMO 418 CA HIS A 32 3. 101 15. 037 1. 469 1. 00 0. 00 c ATOMO 419 C HIS A 32 2. 967 13. 740 0. 679 1. 00 0. 00 c ATOMO 420 O HIS A 32 1. 902 13. 123 0. 658 1. 00 0. 00 o ATOMO 421 CB HIS A 32 3. 773 14. 762 2. 815 1. 00 0. 00 c ATOMO 422 CG HIS A 32 5. 256 14. 963 2. 798 1. 00 0. 00 c ATOMO 423 ND1 HIS A 32 6. 123 14. 233 3. 583 1. 00 .0. 00 N ATOMO 424 CD2 HIS A 32 6. 027 15. 817 2. 084 1. 00 0. 00 c ATOMO 425 CE1 HIS A 32 7. 363 14. 630 3. 355 1. 00 0. 00 c ATOMO 426 NE2 HIS A 32 7. 331 15. 590 2. 449 1. 00 0. 00 N ATOMO 427 H HIS A 32 1. 347 15. 542 2. 534 1. 00 0. 00 H ATOMO 428 HA HIS A 32 3. 713 15. 726 0. 906 1. 00 0. 00 H ATOMO 429 1HB HIS A 32 3. 357 15. 425 3. 559 1. 00 0. 00 H ATOMO 430 2HB HIS A 32 3. 578 13. 739 3. 104 1. 00 0. 00 H ATOMO 431 HD1 HIS A 32 5. 869 13. 529 4. 217 1. 00 0. 00 H ATOMO 432 HD2 HIS A 32 5. 680 16. 544 1. 363 1. 00 0. 00 H ATOMO 433 HEl HIS A 32 8. 250 14. 236 3. 827 1. 00 0. 00 H ATOMO 434 HE2 HIS A 32 8. 118 16. 005 2. 038 1. 00 0. 00 H ATOMO 435 N THR A 33 4. 052 13. 331 0. 030 1. 00 0. 00 N ATOMO 436 CA THR A 33 4. 050 12. 106 -0. 761 1. 00 0. 00 c ATOMO 437 C THR A 33 3. 917 10. 879 0. 135 1. 00 0. 00 c ATOMO 438 O THR A 33 4. 474 10. 833 1. 232 1. 00 0. 00 0 ATOMO 439 CB THR A 33 5. 326 12. 002 -1. 596 1. 00 0. 00 c ATOMO 440 OGl THR A 33 5. 499 13. 161 -2. 394 1. 00 0. 00 0 ATOMO 441 CG2 THR A 33 5. 339 10. 802 -2. 519 1. 00 0. 00 c ATOMO 442 H THR A 33 4. 872 13. 865 0. 084 1. 00 0. 00 H ATOMO 443 HA THR A 33 3. 199 12. 143 -1. 425 1. 00 0. 00 H ATOMO 444 HB THR A 33 6.174 11.917 -0.932 1.00 0.00 H ATOMO 445 HG1 THR A 33 6 .289 13. 628 -2. 112 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .354 10. 458 -2. 651 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .927 11. 079 -3. 478 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 4 .745 10. 009 -2. 088 1 .00 0. 00 H ATOMO 449 N VAL A 34 3 .177 9. 888 -0. 346 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .966 8. 654 0. 401 1 .00 0. 00 c ATOMO 451 C VAL A 34 2 .729 7. 488 -0. 547 1 .00 0. 00 c ATOMO 452 0 VAL A 34 2 .621 7. 674 -1. 756 1 .00 0. 00 0 ATOMO 453 CB VAL A 34 1 .767 8. 775 1. 361 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 2 .052 9. 805 2. 444 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .502 9. 134 0. 596 1.00 0. 00 c ATOMO 456 H VAL A 34 2 .762 9. 986 -1. 227 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3 .852 8. 455 0. 985 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1 .616 7. 819 1. 838 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2 .227 10. 769 1. 987 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2 .928 9. 509 3. 003 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1 .205 9. 871 3. 110 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .657 10. 057 0. 057 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .315 9. ,256 1. 290 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0 .268 8. 344 -0. 102 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .652 6. ,287 0. 006 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .425 5. 090 -0. 798 1 .00 0. 00 c ATOMO 467 C TYR A 35 1 .095 4. 441 -0. 428 1 .00 0. 00 c ATOMO 468 0 TYR' A 35 0 .853 4. 128 0. 737 1 .00 0. 00 o ATOMO 469 CB TYR A 35 3 .569 4. 090 -0. 607 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4 .941 4. 726 -0. 569 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5 .796 4. 647 -1. 662 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5 .382 5. 405 0. 561 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 7 .050 5. 228 -1. 631 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6 .634 5. 989 0. 600 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7 .464 5. 897 -0. 498 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8 .712 6. 476 -0. 463 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2 .749 6. 203 0. 978 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2 .389 5. 388 -1. 836 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3 .424 3. 560 0. 322 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3 .555 3. 384 -1. 422 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 5 .467 4. 124 -2. 547 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 4 .730 5. 476 1. 419 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 7 .699 5. 156 -2. 490 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 6 .959 6. 512 1. 487 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8 .767 7. 159 -1. 135 1 .00 0. 00 H ATOMO 486 N TYR A 36 0 .229 4. 253 -1. 422 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1 .080 3. 651 -1. 185 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1 .315 2. 445 -2. 090 1 .00 0. 00 c ATOMO 489 0 TYR A 36 -0 .592 2. 233 -3. 062 1 .00 0. 00 o ATOMO 490 CB TYR A 36 -2 .184 4. 689 -1. 399 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2 .588 5. 411 -0. 132 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -1 .757 6. 365 0. 440 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -3 .800 5. 138 0. 489 1 .00 0. 00 c ATOMO 494 CE1 TYR A 36 -2 .121 7. 027 1. 597 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .172 5. 796 1. 647 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3 .328 6. 739 2. 197 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -3 .696 7. 396 3. 349 1 .00 0. 00 0 ATOMO 498 H TYR A 36 0 .472 4. 531 -2. 332 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1 .109 3. 320 -0. 159 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -1 .842 5. 428 -2. 106 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3.062 4.197 -1.795 1.00 0.00 H ATOMO 502 HD1 TYR A 36 -0 .811 6 .589 -0 .032 1. 00 0. 00 H ATOMO 503 HD2 TYR A 36 -4 .457 4 .398 0 .057 1. 00 0. 00 H ATOMO 504 HE1 TYR A 36 -1 .461 7.766 2 .026 1. 00 0. 00 H ATOMO 505 HE2 TYR A 36 -5 .117 5 .570 2 .116 1. 00 0. 00 H ATOMO 506 HH TYR A 36 -3 .475 6 .855 4 .110 1. 00 0. 00 H ATOMO 507 N CYS A 37 -2 .331 1 .657 -1 .754 1. 00 0. 00 N ATOMO 508 CA CYS A 37 -2 .666 0 .461 -2 .526 1. 00 0. 00 c ATOMO 509 C CYS A 37 -3 .844 0 .725 -3 .454 1. 00 0. 00 c ATOMO 510 0 CYS A 37 -4 .848 1 .311 -3 .054 1. 00 0. 00 0 ATOMO 511 CB CYS A 37 -2 .999 -0 .702 -1 .586 1. 00 0. 00 c ATOMO 512 SG CYS A 37 -1 .535 -1 .519 -0 .878 1. 00 0. 00 s ATOMO 513 H CYS A 37 -2 .860 1 .879 -0 .959 1. 00 0. 00 H ATOMO 514 HA CYS A 37 -1 .807 0 .193 -3 .122 1. 00 0. 00 H ATOMO 515 1HB CYS A 37 -3 .603 -0 .337 -0 .768 1. 00 0. 00 H ATOMO 516 2HB CYS A 37 -3 .559 -1 .447 -2 .127 1. 00 0. 00 H ATOMO 517 N ARG A 38 -3 .706 0 .290 -4 .704 1. 00 0. 00 N ATOMO 518 CA ARG A 38 -4 .750 0 .478 -5 .700 1. 00 0. 00 c ATOMO 519 C ARG A 38 -5 .015 -0 .816 -6 .456 1. 00 0. 00 c ATOMO 520 0 ARG A 38 -4 .091 -i .463 -6 .949 1. 00 0, 00 0 ATOMO 521 CB ARG A 38 -4 .352 1 .581 -6 .680 1. 00 0. 00 c ATOMO 522 CG ARG A 38 -4 .120 2 .927 -6 .016 1. 00 0. 00 c ATOMO 523 CD ARG A 38 -5 .432 3 .632 -5 .718 1. 00 0. 00 c ATOMO 524 NE ARG A 38 -5 .321 5 .081 -5 .880 1. 00 0. 00 N ATOMO 525 CZ ARG A 38 -6 .284 5 .945 -5 .557 1. 00 0. 00 c ATOMO 526 NH1 ARG A 38 -7 .437 5 .517 -5 .055 1. 00 0. 00 N ATOMO 527 NH2 ARG A 38 -6 .092 7 .245 -5 .738 1. 00 0. 00 N ATOMO 528 H ARG A 38 -2 .880 -0 .168 -4 .963 1. 00 0. 00 H ATOMO 529 HA ARG A 38 -5 .651 0 .773 -5 .185 1. 00 0. 00 H ATOMO 530 1HB ARG A 38 -3 .441 1 .291 -7 .183 1. 00 0. 00 H ATOMO 531 2HB ARG A 38 -5 .137 1 .697 -7 .413 1. 00 0. 00 H ATOMO 532 1HG ARG A 38 -3 .587 2 .773 -5 .089 1. 00 0. 00 H ATOMO 533 2HG ARG A 38 -3 .530 3 .547 -6 .675 1. 00 0. 00 H ATOMO 534 1HD ARG A 38 -6 .187 3 .259 -6 .393 1. 00 0. 00 H ATOMO 535 2HD ARG A 38 -5 .720 3 .413 -4 .700 1. 00 0. 00 H ATOMO 536 HE ARG A 38 -4 .483 5 .431 -6 .249 1. 00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7 .592 4 .540 -4 .913 1. 00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8 .151 6 .176 -4 .816 1. 00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5 .227 7 .574 -6 .116 1. 00 0. 00 H ATOMO 540 2HH2 ARG A 38 -6 .812 7 .895 -5 .497 1. 00 0. 00 H ATOMO 541 N ALA A 39 -6 .284 -1 .187 -6 .544 1. 00 0. 00 N ATOMO 542 CA ALA A 39 -6 .677 -2 .404 -7 .242 1. 00 0. 00 c ATOMO 543 C ALA A 39 -6 .450 -2 .273 -8 .744 1. 00 0. 00 c ATOMO 544 0 ALA A 39 -5 .977 -3 .253 -9 .358 1. 00 0. 00 o ATOMO 545 CB ALA A 39 -8 .134 -2 .733 -6 .952 . 1. 00 0. 00 c ATOMO 546 OXT ALA A 39 -6 .748 -1 .192 -9 .294 1. 00 0. 00 0 ATOMO 547 H ALA A 39 -6 .973 -0 .626 -6 .130 1. 00 0. 00 H ATOMO 548 HA ALA A 39 -6 .069 -3 .214 -6 .865 1. 00 0. 00 H ATOMO 549 1HB ALA A 39 -8 .365 -3 .716 -7 .336 1. 00 0. 00 H ATOMO 550 2HB ALA A 39 -8 .770 -2 .002 -7 .431 1. 00 0. 00 H ATOMO 551 3HB ALA A 39 -8 .303 -2 .714 -5 .886 1. 00 0. 00 H TER 552 ALA A 39 ENDMDL MODELO 17 ATOMO 1 N GLY A 1 -0 .469 -15 .735 4 .851 1. 00 0. 00 N ATOMO 2 CA GLY A 1 -0 .749 -14 .899 3 .652 1. 00 0. 00 c ATOMO 3 C GLY A 1 -1 .338 -13 .549 4 .011 1. 00 0. 00 c ATOMO 4 O GLY A 1 -2.552 -13.355 3.937 1.00 0.00 o ATOMO 5 1H GLY A 1 -1 .341 -15. 880 5. 399 1 .00 0. 00 H ATOMO 6 2H GLY A 1 0 .233 -15. 268 5, 459 1 .00 0. 00 H ATOMO 7 3H GLY A 1 -0 .096. -16. 663 4. 562 1 .00 0. 00 H ATOMO S 1HA GLY A 1 0 .173 -14. 744 3. 111 1 .00 0. 00 H ATOMO 9 2 HA GLY A 1 -1 .444 -15. 424 3. 014 1 .00 0. 00 H ATOMO 10 N SER A 2 -0 .478 -12. 614 4. 400 1 .00 0. 00 N ATOMO 11 CA SER A 2 -0 .920 -11. 274 4. 771 1 .00 0. 00 C ATOMO 12 C SER A 2 -0 .636 -10. 279 3. 650 1 .00 0. 00 C ATOMO 13 0 SER A 2 0 .371 -10. 389 2. 950 1 .00 0. 00 O ATOMO 14 CB SER A 2 -0 .227 -10. 824 6. 059 1 .00 0. 00 C ATOMO 15 OG SER A 2 -0 .893 -9. 715 6. 636 1 .00 0. 00 o ATOMO 16 H SER A 2 0 .477 -12. 830 4. 438 1 .00 0. 00 H ATOMO 17 HA SER A 2 -1 .985 -11. 313 4. 940 1 .00 0. 00 H ATOMO 18 1HB SER A 2 -0 .228 -11. 638 6. 768 1 .00 0. 00 H ATOMO 19 2HB SER A 2 0 .791 -10. 542 5. 837 1 .00 0. 00 H ATOMO 20 HG SER A 2 -0 .885 -8. 980 6. ,019 1.00 0. 00 H ATOMO 21 N CYS A 3 -1 .527 -9. 306 3. 490 1 .00 0. 00 N ATOMO 22 CA CYS A 3 -1 .372 -8. 291 2. ,458 1 .00 0. 00 C ATOMO 23 C CYS A 3 -2 .058 -6. 994 2. 872 1 .00 0. 00 C ATOMO 24 O CYS A 3 -2 .822 -6. 964 3. 836 1 .00 0. 00 O ATOMO 25 CB CYS A 3 -1 .945 -8. 786 1. 126 1 .00 0. 00 C ATOMO 26 SG CYS A 3 -3 .711 -9. 240 1. 187 1 .00 0. 00 S ATOMO 27 H CYS A 3 -2 .306 -9. 269 4. 081 1 .00 0. 00 H ATOMO 28 HA CYS A 3 -0 .316 -8. 102 2. 336 1 .00 0. 00 H ATOMO 29 1HB CYS A 3 -1 .834 -8. 008 0. 385 1 .00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .392 -9. 658 0. 808 1 .00 0. 00 H ATOMO 31 N VAL A 4 -1 .782 -5. 928 2. 133 1 .00 0. 00 N ATOMO 32 CA VAL A 4 -2 .368 -4. 631 2. 413 1 .00 0. 00 C ATOMO 33 C VAL A 4 -3 .712 -4. 479 1. 694 1 .00 0. 00 C ATOMO 34 O VAL A 4 -3 .804 -4. 741 0. 499 1 .00 0. 00 O ATOMO 35 CB VAL A 4 -1 .416 -3. 507 1. 970 1 .00 0. 00 C ATOMO 36 CGl VAL A 4 -2 .019. -2. 137 2. 236 1 .00 0. 00 C ATOMO 37 CG2 VAL A 4 -0 .079 -3. 658 2. 674 1 .00 0. 00 C ATOMO 38 H VAL A 4 -1 .167 -6. 016 1. 377 1 .00 0. 00 H ATOMO 39 HA VAL A 4 -2 .513 -4. 554 3. 478 1 .00 0. 00 H ATOMO 40 HB VAL A 4 -1 .250 -3. 602 0. 908 1 .00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1 .255 -1. 383 2. 142 1 .00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2 .432 -2. 114 3. 232 1 .00 0. 00 H ATOMO 43 3HGI VAL A 4 -2 .804 -1. 947 1. 516 1 .00 0. 00 H ATOMO 44 1HG2 VAL A 4 0 .484 -4. 455 2. 209 1 .00 0. 00 H ATOMO 45 2HG2 VAL A 4 -0 .247 -3. 898 3. 715 1 .00 0. 00 H ATOMO 46 3HG2 VAL A i 0 .475 -2. 736 2. 601 1 .00 0. 00 H ATOMO 47 N PRO A 5 -4 .7.76 -4. 047 2. 397 1 .00 0. 00 N ATOMO 48 CA PRO A 5 -6 .090 -3. 874 1. 776 1 .00 0. 00 C ATOMO 49 C PRO A 5 -6 .089 -2. 746 0. 751 1 .00 0. 00 C ATOMO 50 O PRO A 5 -5 .531 -1. 667 0. 988 1 .00 0. 00 O ATOMO 51 CB PRO A 5 -7 .022 -3. 534 2. 951 1 .00 0. 00 C ATOMO 52 CG PRO A 5 -6 .245 -3. 845 4. 187 1 .00 .0. 00 C ATOMO 53 CD PRO A 5 -4 .797 -3. 686 3. 824 1 .00 0. 00 C ATOMO 54 HA PRO A 5 -6 .422 -4. 789 1. 301 1 .00 0. 00 H ATOMO 55 1HB PRO A 5 -7 .290 -2. 490 2. 907 1 .00 0. 00 H ATOMO 56 2HB PRO A 5 -7 .915 -4. 139 2. 887 1 .00 0. 00 H ATOMO 57 1HG PRO A 5 -6 .512 -3. 152 4. .970 1 .00 0. 00 H ATOMO 58 2HG PRO A 5 -6 .443 -4. 859 4. 499 1 .00 0. 00 H ATOMO 59 1HD PRO A 5 -4 .479 -2. 664 3. 969 1 .00 0. 00 H ATOMO 60 2HD PRO A 5 -4 .187 -4. 360 4. 403 1 .00 0. 00 H ATOMO 61 N VAL A 6 -6.728 -2.966 -0.390 1.00 0.00 N ATOMO 62 CA VAL A 6 -6. 803 -1. 986 -1. 437 1. 00 0. 00 c ATOMO 63 C VAL A 6 -7. 461 -0. 727 -0. 903 1. 00 0. 00 c ATOMO 64 0 VAL A 6 -8. 277 -0. 783 0. 015 1. 00 0. 00 0 ATOMO 65 CB VAL A 6 -7. 567 -2. 517 -2. 664 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7. 680 -1. 453 -3. 746 1. 00 0. 00 c ATOMO . 67 CG2 VAL A 6 -6. 871 -3. 751 -3. 205 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7. 167 -3. 846 -0. 525 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5. 793 -1. 748 -1. 741 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8. 562 -2. 795 -2. 355 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8. 271 -0. 629 -3. 377 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8. 155 -1. 878 -4. 616 1. 00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6. 693 -1. 102 -4. 006 1. 00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5. 815 -3. 693 -2. 978 1. 00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7. 007 -3. 801 -4. 273 1. 00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7. 290 -4. 631 -2. 743 1. 00 0. 00 H ATOMO 77 N ASP A 7 -7. 063 0. 409 -1. 458 1. 00 0. 00 N ATOMO 78 CA ASP A 7 -7. 564 1. 700 -1. 029 1. 00 0. 00 c ATOMO 79 C ASP A 7 -6. 963 2. 092 0. 324 1. 00 0. 00 c ATOMO 80 0 ASP A 7 -7. 342 3. 114 0. 897 1. 00 0. 00 0 ATOMO 81 CB ASP A 7 -9. 092 1. 703 -0. 960 1. 00 0. 00 c ATOMO 82 CG ASP A 7 -9. 730 1. 166 -2. 225 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -9. 774 1. 908 -3. 229 1. 00 0. 00 0 ATOMO 84 OD2 ASP A 7 -10. 186 0. 003 -2. 214 1. 00 0. 00 0 ATOMO 85 H ASP A 7 -6. 390 0. 380 -2. 155 1. 00 0. 00 H ATOMO 86 HA ASP A 7 -7. 249 2. 427 -1. 763 1. 00 0. 00 H ATOMO 87 1HB ASP A 7 -9. 410 1. 090 -0. 131 1. 00 0. 00 H ATOMO 88 2HB ASP A 7 -9. 429 2. 712 -0. 809 1. 00 0. 00 H ATOMO 89 N GLN A 8 -6. 013 1. 290 0. 836 1. 00 0. 00 N ATOMO 90 CA GLN A 8 -5. 376 1. 596 2. 106 1. 00 0. 00 c ATOMO 91 C GLN A 8 -3. 890 1. 881 1. 900 1. 00 0. 00 c ATOMO 92 0 GLN A 8 -3. 299 1. 429 0. 920 1. 00 0. 00 o ATOMO 93 CB GLN A 8 -5. 559 0. 447 3. 097 1. 00 0. 00 c ATOMO 94 CG GLN A 8 -6. 997 -0. 032 3. 214 1. 00 0. 00 c ATOMO 95 CD GLN A 8 -7. 951 1. 081 3. 598 1. 00 0. 00 c ATOMO 96 0E1 GLN A 8 -7. 698 1. 836 4. 537 1. 00 0. 00 o ATOMO 97 NE2 GLN A 8 -9. 058 1. 189 2. 871 1. 00 0. 00 N ATOMO 98 H GLN A 8 -5. 726 0. 486 0. 347 1. 00 0. 00 H ATOMO 99 HA GLN A B -5. 847 2. 481 2. 500 1. 00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 947 -0. 385 2. 782 1. 00 0. 00 H ATOMO 101 2HB GLN A 8 -5. 231 0. 773 4. 073 1. 00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 306 -0. 438 2. 262 1. 00 0. 00 H ATOMO 103 2HG GLN A 8 -7. 045 -0. 804 3. 967 1. 00 0. 00 H ATOMO 104 1HE2 GLN A 8 -9. 195 0. 553 2. 138 1. 00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9. 693 1. 900 3. 098 1. 00 0. 00 H ATOMO 106 N PRO A 9 -3. 264 2. 650 2. 810 1. 00 0. 00 N ATOMO 107 CA PRO A 9 -1. 848 2. 996 2. 692 1. 00 0. 00 c ATOMO 108 C PRO A 9 -Ó . 919 1. 798 2. 829 1. 00 0. 00 c ATOMO 109 O PRO A 9 -1. 138 0. 908 3. 650 1. 00 0. 00 0 ATOMO 110 CB PRO A 9 -1. 607 3. 981 3. 834 1. 00 0. 00 c ATOMO 111 CG PRO A 9 -2. 711 3. 736 4. 806 1. 00 0. 00 c ATOMO 112 CD PRO A 9 -3. 885 3. 256 4. 004 1. 00 0. 00 c ATOMO 113 HA PRO A 9 -1. 647 3. 489 1. 753 1. 00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 641 3. 792 4. 280 1. 00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 635 4. 985 3. 446 1. 00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 412 2. 979 5. 517 1. 00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 960 4. 651 5. 318 1. 00 0. 00 H ATOMO 118 1HD PRO A 9 -4,.444 2.521 4.561 1.00 0.00 H ATOMO 119 2HD PRO A 9 - .521 4. 083 3 .728 1 .00 0 .00 H ATOMO 120 N CYS A 10 0, .130 1. 804 2 .018 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .128 0. 745 2 .030 1 .00 0 .00 c ATOMO 122 C CYS A 10 2 .529 1. 338 2 .122 1 .00 0 .00 c ATOMO 123 0 CYS A 10 2 .694 2. 553 2 .216 1 .00 0 .00 0 ATOMO 124 CB CYS A 10 1 .009 -0. 121 0 .773 1 .00 0 .00 c ATOMO 125 SG CYS A 10 0 .826 0. B26 -0 .773 1 .00 0 .00 S ATOMO 126 H CYS A 10 0 .239 2. 555 1 .399 1 .00 0 .00 H ATOMO 127 HA CYS A 10 0 .950 0; 130 2 .900 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 1 .894 -0. 731 0 .680 1 .00 0 .00 H ATOMO 129 2HB CYS A 10 0 .148 -0. 761 0 .871 1 .00 0 .00 H ATOMO 130 N SER A 11 3 .531 0. 472 2 .093 1 .00 0 .00 N ATOMO 131 CA SER A 11 4 .921 0. 908 2 .171 1 .00 0 .00 c ATOMO 132 C SER A 11 5 .800 0. 090 1 .232 1 .00 0 .00 c ATOMO 133 O SER A 11 5 .411 -0. 985 0 .777 1 .00 0 .00 0 ATOMO 134 CB SER A 11 5 .438 0. 786 3 .606 1 .00 0 .00 c ATOMO 135 OG SER A 11 6 .310 1. 857 3 .927 1 .00 0 .00 0 ATOMO 136 H SER A 11 3 .332 -0. 481 2 .016 1 .00 0 .00 H ATOMO 137 HA SER A 11 4 .961 1. 944 1 .870 1 .00 0 .00 H ATOMO 138 1HB SER A 11 4 .602 0. 803 4 .290 1 .00 0 .00 H ATOMO 139 2HB SER A 11 5 .974 -0. 144 3 .716 1 .00 0 .00 H ATOMO 140 HG SER A 11 5 .890 2. 691 3 .703 1 .00 0 .00 H ATOMO 141 N LEU A 12 6 .991 0. 606 0 .945 1 .00 0 .00 N ATOMO 142 CA LEU A 12 7 .926 -0. 081 0 .058 1 .00 0 .00 c ATOMO 143 C LEU A 12 8 .644 -1. 224 0 .778 1 .00 0 .00 c ATOMO 144 O LEU A 12 9 .175 -2. 130 0 .136 1 .00 0 .00 0 ATOMO 145 CB LEU A 12 8 .953 0. 899 -0 .529 1 .00 0 .00 c ATOMO 146 CG LEU A 12 9 .491 1. 965 0 .431 1 .00 0 .00 c ATOMO 147 CD1 LEU A 12 10 .049 1. 328 1 .694 1 .00 0 .00 c ATOMO 148 CD2 LEU A 12 10 .558 2. 800 -0 .257 1 .00 0 .00 c ATOMO 149 H LEU A 12 7 .245 1. 465 1 .339 1 .00 0 .00 H ATOMO 150 HA LEU A 12 7 .351 -0. 500 -0 .754 1 .00 0 .00 H ATOMO 151 1HB LEU A 12 9 .791 0. 325 -0 .896 1 .00 0 .00 H ATOMO 152 2HB LEU A 12 8 .494 1. 402 -1 .366 1 .00 0 .00 H ATOMO 153 HG LEU A 12 8 .686 2. 625 0 .717 1 .00 0 .00 H ATOMO 154 1HD1 LEU A 12 10 .837 1. 949 2 .092 1 .00 0 .00 H ATOMO 155 2HD1 LEU A 12 10 .444 0. 350 1 .461 1 .00 0 .00 H ATOMO 156 3HD1 LEU A 12 9 .262 1. 233 2 .428 1 .00 0 .00 H ATOMO 157 1HD2 LEU A 12 10 .144 3. 244 -1 .150 1 .00 0 .00 H ATOMO 158 2HD2 LEU A 12 11 .393 2. 170 -0 .521 1 .00 0 .00 H ATOMO 159 3HD2 LEU A 12 10 .891 3. 579 0 .412 1 .00 0 .00 H ATOMO 160 N ASN A 13 8 .657 -1. 183 2 ..110 1 .00 0 .00 N ATOMO 161 CA ASN A 13 9 .310 -2. 222 2 .898 1 .00 0 .00 c ATOMO 162 C ASN A 13 8. .293 -3. 114 3 .616 1 .00 0 .00 c ATOMO 163 0 ASN A 13 8, .664 -3. 917 4 .472 1 .00 0 .00 0 ATOMO 164 CB ASN A 13 10 .258 -1. 591 3 .919 1 .00 0 .00 c ATOMO 165 CG ASN A 13 9, .550 -0. 619 4 .843 1 .00 0 .00 c ATOMO 166 OD1 ASN A 13 8. .335 -0. 695 5 .029 1 .00 0 .00 0 ATOMO 167 ND2 ASN A 13 10, .307 0. 301 5 .427 1 .00 0 .00 N ATOMO 168 H ASN A 13 8, .220 -0. 444 2 .573 1 .00 0 .00 H ATOMO 169 HA ASN A 13 9, .887 -2. 832 2 .222 1 .00 0 .00 H ATOMO 170 1HB ASN A 13 10 .701 -2. 371 4 .520 1 .00 0 .00 H ATOMO 171 2HB ASN A 13 11. .038 -1. 058 3, .396 1 .00 0 .00 H ATOMO 172 1HD2 ASN A 13 11, .268 0. 302 5, .232 1 .00 0 .00 H ATOMO 173 2HD2 ASN A 13 9. .875 0. 942 6 .030 1 .00 0 .00 H ATOMO 174 N THR A 14 7, .012 -2. 975 3, .271 1 .00 0 .00 N ATOMO 175 CA THR A 14 5.967 -3.775 3.894 1.00 0.00 c ATOMO 176 C THR A 14 5 .446 -4 .833 2 .927 1 .00 0. 00 c ATOMO 177 O THR A 14 5 .962 -4 .984 1 .818 1 .00 0. 00 0 ATOMO 178 CB THR A 14 4 .817 -2 .876 4 .356 1 .00 0. 00 c ATOMO 179 OG1 THR A 14 4 .255 -2 .179 3 .258 1 .00 0. 00 0 ATOMO 180 CG2 THR A 14 5 .235 -1 .851 5 .386 1 .00 0. 00 c ATOMO 181 H THR A 14 6 .762 -2 .327 2 .585 1 .00 0. 00 H ATOMO 182 HA THR A 14 6 .394 -4 .268 4 .754 1 .00 0. 00 H ATOMO 183 HB THR A 14 4 .046 -3 .491 4 .796 1 .00 0. 00 H ATOMO 184 HG1 THR A 14 3 .538 -2 .696 2 .882 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 5 .064 -2 .244 6 .376 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 4 .658 -0 .949 5 .251 1 .00 0. 00 H ATOMO 187 3HG2 THR A 14 6 .286 -1 .627 5 .264 1 .00 0. 00 H ATOMO 188 N GLN A 15 4 .424 -5 .563 3 .355 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3 .829 -6 .610 2 .535 1 .00 0. 00 c ATOMO 190 C GLN A 15 3 .089 -6 .013 1 .336 1 .00 0. 00 c ATOMO 191 O GLN A 15 2 .649 -4 .864 1 .384 1 .00 0. 00 o ATOMO 192 CB GLN A 15 2 .866 -7 .447 3 .376 1 .00 0. 00 c ATOMO 193 CG GLN A 15 3 .473 -7 .959 4 .671 1 .00 0. 00 c ATOMO 194 CD GLN A 15 2 .453 -8 .640 5 .562 1 .00 0. 00 c ATOMO 195 OE1 GLN A 15 1 .254 -8 .378 5 .467 1 .00 0. 00 0 ATOMO 196 NE2 GLN A 15 2 .925 -9 .520 6 .438 1 .00 0. 00 N ATOMO 197 H GLN A 15 4 .058 -5 .396 4 .246 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4 .625 -7 .244 2 .174 1 .00 0. 00 H ATOMO 199 1HB GLN A. 15 2 .004 -6 .845 3 .621 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2 .546 -8 .295 2 .794 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 4 .252 -8 .668 4 .434 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 3 .899 -7 .125 5 .209 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 3 .892 -9 .679 6 .459 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 2 .289 -9 .975 7 .027 1 .00 0. 00 H ATOMO 205 N PRO A 16 2 .929 -6 .786 0 .241 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2 .226 -6 .313 -0 .957 1 .00 0. 00 c ATOMO 207 C PRO A 16 0 .764 -5 .999 -0 .668 1 .00 0. 00 c ATOMO 208 O PRO A 16 0 .314 -6 .101 0 .472 1 .00 0. 00 o ATOMO 209 CB PRO A 16 2 .341 -7 .483 -1 .938 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2 .612 -8 .677 -1 .088 1 .00 0. 00 c ATOMO 211 CD PRO A 16 3 .406 -8 .174 0 .083 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2 .703 -5 .438 -1 .375 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1 .415 -7 .590 -2 .485 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 3 .151 -7 .300 -2 .628 1 .00 0. 00 H ATOMO 215 1HG PRO A 16 1 .681 -9 .108 -0 .752 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 3 .184 -9 .403 -1 .644 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 3 .191 -8 .760 0 .965 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4 .463 -8 .196 -0 .139 1 .00 0. 00 H ATOMO 219 N CYS A 17 0 .025 -5 .617 -1 .704 1 .00 0. 00 N.

ATOMO 220 CA CYS A 17 -1 .386 -5 .290 -1 .549 1 .00 0. 00 c ATOMO 221 C CYS A 17 -2 .260 -6 .525 -1 .739 1 .00 0. 00 c ATOMO 222 0 CYS A 17 -i .770 -7 .608 -2 .054 1 .00 0. 00 o ATOMO 223 CB CYS A 17 -1 .796 -4 .197 -2 .537 1 .00 0. 00 c ATOMO 224 SG CYS A 17 -0 .801 -2 .674 -2 .422 1 .00 0. 00 s ATOMO 225 H CYS A 17 0 .437 -5 .552 -2 .590 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1 .529 -4 .921 -0 .546 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1 .701 -4 .576 -3 .544 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2 .826 -3 .929 -2 .354 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3 .558 -6 .346 -1 .533 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4 .522 -7 .430 -1 .664 1 .00 0. 00 c ATOMO 231 C CYS A 18 -5 .301 -7 .307 -2 .968 1 .00 0. 00 c ATOMO 232 0 CYS A 18 -5.263 -6.273 -3.631 1.00 0.00 0 ATOMO 233 CB CYS A 18 -5 .490 -7 .415 -0 .478 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4 .679 -7 .456 1 .154 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3 .875 -5 .457 -1 .276 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -3 .979 -8 .363 -1 .664 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6 .085 -6 .515 -0 .523 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6 .143 -B .271 -0 .542 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .007 -8 .373 -3 .333 1 .00 0. 00 N ATOMO 240 CA ASP A 19 . -6 .799 -8 .388 -4 .561 1 .00 0. 00 c ATOMO 241 C ASP A 19 -5 .943 -8 .028 -5.774 1 .00 0. 00 c ATOMO 242 0 ASP A 19 -6 .432 -7 .443 -6 .741 1 .00 0. 00 o ATOMO 243 CB ASP A 19 -7 .974 -7 .417 -4 .447 1 .00 0. 00 c ATOMO 244 CG ASP A 19 -9 .046 -7 .915 -3 .498 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -9 .321 -7 .222 -2 .495 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -9 .611 -8 .999 -3 .756 1 .00 0. 00 0 ATOMO 247 H ASP A 19 -5 .996 -9 .167 -2 .762 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7 .184 -9 .388 -4 .693 1 .00 0. .00 H ATOMO 249 1HB ASP A 19 -7 .614 -6 .466 -4 .086 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8 .418 -7 .282 -5 .423 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4 .663 -8 .382 -5 .710 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3 .730 -8 .099 -6 .796 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3 .541 -6 .596 -6 .979 1 .00 0. 00 c ATOMO 254 0 ASP A 20 -3 .397 -6 .110 -8 .101 1 .00 0. 00 0 ATOMO 255 CB ASP A 20 -4 .217 -8 .729 -8 .104 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -4 .650 -10 .172 -7 .925 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -3 .776 -11 .027 -7 .671 1 .00 0. 00 o ATOMO 258 OD2 ASP A 20 -5 .863 -10 .445 -8 .038 1 .00 0. 00 o ATOMO 259 H ASP A 20 -4 .336 -8 .844 -4 .912 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2 .779 -8 .534 -6 .531 ¦i .00 0. 00 H ATOMO 261 1HB ASP A 20 -5 .058 -8 .164 -8 .477 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -3 .418 -8 .699 -8 .829 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3 .536 -5 .866 -5 .869 1 .00 0. 00 N ATOMO 26 CA ALA A 21 -3 .356 -4 .419 -5 .909 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1 .881 -4 .060 -6, .041 1 .00 0. 00 c ATOMO 266 0 ALA A 21 -1 .013 -4 .933 -6, .007 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3 .945 -3 .769 - .665 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3 .651 -6 .311 -5 .003 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .887 -4 .040 -6 .771 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .963 -4 .486 -3. .859 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .951 -3 .437 - .874 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .339 -2 .922 -4 .378 1 .00 0. 00 H ATOMO 273 N THR A 22 -1 .605 -2 .771 -6, .190 1 .00 0. 00 N ATOMO ' 274 CA THR A 22 -0 .238 -2 .293 -6, .325 1 .00 0. 00 c ATOMO 275 C THR A 22 -0 .017 -1 .042 -5 .482 1 .00 0. 00 c ATOMO 276 0 THR A 22 -0 .879 -0 .165 -5 .420 1 .00 0. 00 o ATOMO 277 CB THR A 22 0 .074 -1 .996 -7, .791 1 .00 0. 00 c ATOMO 278 OGl THR A 22 -0 .134 -3 .147 -8, .592 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1 .493 -1 .530 -8, .019 1 .00 0. 00 c ATOMO 280 H THR A 22 -2 .338 -2 .123 -6. .210 1 .00 0. 00 H ATOMO 281 HA THR A 22 0 .423 -3 .073 -5. .975 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. .590 -1, .218 -8. .138 1, .00 0. 00 H ATOMO 283 HGl THR A 22 -0 .060 -2 .910 -9. .519 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1 .491 -0. .689 -8. .696 1, .00 0. 00 H ATOMO 285 2HG2 THR A 22 2 .073 -2 .335 -8. .445 1. .00 0. 00 H ATOMO 286 3HG2 THR A 22 1, .929 -1, .232 -7. .076 1, .00 0. 00 H ATOMO 287 N CYS A 23 1, .142 -0 .966 -4. .840 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1, .479 0 .181 -4. .008 1 .00 0. 00 c ATOMO 289 C CYS A 23 1.919 1.346 -4.891 1.00 0.00 C ATOMO 290 0 CYS A 23 2. 960 1. 280 -5 .545 1.00 0. 00 0 ATOMO 291 CB CYS A 23 2. 591 -0. 196 -3 .023 1.00 0. 00 C ATOMO 292 SG CYS A 23 2. 699 0. 881 -1 .556 1.00 0. 00 S ATOMO 293 H CYS A 23 1. 790 -1. 697 -4 .933 1.00 0. 00 H ATOMO 294 HA CYS A 23 0. 596 0. 468 -3 .457 1.00 0. 00 H ATOMO 295 1HB CYS A 23 2. 425 -1. 204 -2 .675 1.00 0. 00 H ATOMO 296 2HB CYS A 23 3. 542 -0. 151 -3 .534 1.00 0. 00 H ATOMO 297 N THR A 24 1. 109 2. 402 -4 .928 1.00 0. 00 N ATOMO 298 CA THR A 24 1. 404 3. 564 -5 .755 1.00 0. 00 C ATOMO 299 C THR A 24 1. 603 4. 820 -4 .911 1.00 0. 00 C ATOMO 300 0 THR A 24 1. 091 4. 933 -3 .798 1.00 0. 00 0 ATOMO 301 CB THR A 24 0. 272 3. 786 -6 .770 1.00 0. 00 c ATOMO 302 OG1 THR A 24 0. 241 2. 735 -7 .719 1.00 0. 00 o ATOMO 303 CG2 THR A 24 0. 379 5. 092 -7 .535 1.00 0. 00 c ATOMO 304 H THR A 24 0. 286 2. 393 -4 .403 1.00 0. 00 H ATOMO 305 HA THR A 24 2. 318 3. 363 -6 .293 1.00 0. 00 H ATOMO 306 HB THR A 24 -0. 670 3. 790 -6 .241 1.00 0. 00 H ATOMO 307 HGl THR A 24 -0. 430 2. 096 -7 .469 1.00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 394 5. 916 -6 .837 1.00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 469 5. 194 -8 .195 1.00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 290 5. 096 -8 .114 1.00 0. 00 H ATOMO 311 N GLN A 25 2. 337 5. 766 -5 .482 1.00 0. 00 N ATOMO 312 CA GLN A 25 2. 610 7. 036 -4 .838 1.00 0. 00 c ATOMO 313 C GLN A 25 1. 366 7. 920 -4 .882 1.00 0. 00 c ATOMO 314 O GLN A 25 0. 626 7. 925 -5 .867 1.00 0. 00 0 ATOMO 315 CB GLN A 25 3. 788 7. 723 -5 .539 1.00 0. 00 c ATOMO 316 CG GLN A 25 4. 027 9. 156 -5 .096 1.00 0. 00 c ATOMO 317 CD GLN A 25 5. 341 9. 715 -5 .606 1.00 0. 00 c ATOMO 318 OEl GLN A 25 5. 362 10. 665 -6 .387 1.00 0. 00 0 ATOMO 319 NE2 GLN A 25 6. 445 9. 124 -5 .165 1.00 0. 00 N ATOMO 320 H GLN A 25 2. 695 5. 608 -6 .374 1.00 0. 00 H ATOMO 321 HA GLN A 25 2. 871 6. 846 -3 .809 1.00 0. 00 H ATOMO 322 1HB GLN A 25 4. 686 7. 157 -5 .344 1.00 0. 00 H ATOMO 323 2HB GLN A 25 3. 603 7. 727 -6 .605 1.00 0. 00 H ATOMO 324 1HG GLN A 25 3. 221 9. 770 -5 .470 1.00 0. 00 H ATOMO 325 2HG GLN A 25 4. 030 9. 187 -4 .017 1.00 0. 00 H ATOMO 326 1HE2 GLN A 25 6. 352 8. 372 -4 .544 1.00 0. 00 H ATOMO 327 2HE2 GLN A 25 7. 309 9. 466 -5 .480 1.00 0. 00 H ATOMO 328 N GLÜ A 26 1. 146 8. 664 -3 .810 1.00 0. 00 N ATOMO 329 CA GLÜ A 26 -0. 002 9. 554 -3 .716 1.00 0. 00 c ATOMO 330 C GLU A 26 0. 259 10. 674 -2 .716 1.00 0. 00 c ATOMO 331 O GLU A 26 1. 349 10. 778 -2 .156 1.00 0. 00 0 ATOMO 332 CB GLU A 26 -1. 248 8. 765 -3 .309 1.00 0. 00 c ATOMO 333 CG GLU A 26 -1. 571 7. 617 -4 .250 1.00 0. 00 c ATOMO 334 CD GLU A 26 -2. 908 6. 971 -3 .947 1.00 0. 00 c ATOMO 335 OEl GLU A 26 -3. 472 6. 317 -4 .850 1.00 0. 00 0 ATOMO 336 OE2 GLÜ A 26 -3. 393 7. 118 -2 .804 1.00 0. 00 0 ATOMO 337 H GLU A 26 1. 775 8. 611 -3 .062 1.00 0. 00 H ATOMO 338 HA GLU A 26 -0. 168 9. 989 -4 .689 1.00 0. 00 H ATOMO 339 1HB GLU A 26 -1. 097 8. 361 -2 .319 1.00 0. 00 H ATOMO 340 2HB GLU A 26 -2. 094 9. 434 -3 .289 1.00 0. 00 H ATOMO 341 1HG GLU A 26 -1. 592 7. 993 -5 .263 1.00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 797 6. 868 -4 .164 1.00 0. 00 H ATOMO 343 N ARG A 27 -0. 747 11. 513 -2 .501 1.00 0. 00 N ATOMO 344 CA ARG A 27 -0. 626 12. 631 -1 .572 1.00 0. 00 c ATOMO 345 C ARG A 27 -1. 602 12. 483 -0 .408 1.00 0. 00 c ATOMO 346 0 ARG A 27 -2.669 11.886 -0.552 1.00 0.00 0 ATOMO 347 CB ARG A 27 -0. 881 13. 950 -2. 301 1 .00 0 .00 C ATOMO 348 CG ARG A 27 0. 280 14. 392 -3. 178 1 .00 0 .00 c ATOMO 349 CD ARG A 27 0. 308 15. 902 -3. 348 1 .00 0 .00 c ATOMO 350 NE ARG A 27 0. 802 16. 295 -4. 666 1 .00 0 .00 N ATOMO 351 CZ ARG A 27 0. 142 16. 080 -5. 806 1 .00 0 .00 c ATOMO 352 NH1 ARG A 27 -1. 042 15. 477 -5. 800 1 .00 0 .00 N ATOMO 353 NH2 ARG A 27 0. 670 16. 471 -6. 958 1 .00 0 .00 N ATOMO 354 H ARG A 27 -1. 589 11. 378 -2. 981 1 .00 0 .00 H ATOMO 355 HA ARG A 27 0. 380 12. 633 -1. 183 1 .00 0 .00 H ATOMO 356 1HB ARG A 27 -1. 754 13. 840 -2. 927 1 .00 0 .00 H ATOMO 357 2HB ARG A 27 -1. 067 14. 722 -1. 570 1 .00 0 .00 H ATOMO 358 1HG ARG A 27 1. 205 14. 075 -2. 719 1 .00 0 .00 H ATOMO 359 2HG ARG A 27 0. 181 13. 931 -4. 149 1 .00 0 .00 H ATOMO 360 1HD ARG A 27 -0. 694 16. 285 -3. 221 1 .00 0 .00 H ATOMO 361 2HD ARG A 27 0. 953 16. 325 -2. 591 1 .00 0 .00 H ATOMO 362 HE ARG A 27 1. 672 16. 744 -4. 707 1 .00 0 .00 H ATOMO 363 1HH1 ARG A 27 -1. 449 15. 179 -4. 937 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 -1. 526 15. 321 -6. 660 1 .00 0 .00 H ATOMO 365 1HH2 ARG A 27 1. 561 16. 925 -6. 971 1 .00 0 .00 H ATOMO 366 2HH2 ARG A 27 0. 178 16. 309 -7. 813 1 .00 0 .00 H ATOMO 367 N ASN A 28 -1. 228 13. 030 0. 746 1 .00 0 .00 N ATOMO 368 CA ASN A 28 -2. 070 12. 957 1. 934 1 .00 0 .00 c ATOMO 369 C ASN A 28 -2. 623 14. 334 2. 295 1 .00 0 .00 c ATOMO 370 0 ASN A 28 -2. 63 15. 295 1. 544 1 .00 0 .00 o ATOMO 371 CB ASN A 28 -1. 276 12. 380 3. 111 1 .00 0 .00 c ATOMO 372 CG ASN A 28 -0. 133 13. 277 3. 546 1 .00 0 .00 c ATOMO 373 OD1 ASN A 28 0. 175 14. 269 2. 888 1 .00 0 .00 0 ATOMO 374 ND2 ASN A 28 0. 501 12. 932 4. 660 1 .00 0 .00 N ATOMO 375 H ASN A 28 -0. 365 13. 492 0. 798 1 .00 0 .00 H ATOMO 376 HA ASN A 28 -2. 897 12. 299 1. 714 1 .00 0 .00 H ATOMO 377 1HB ASN A 28 -1. 939 12. 240 3. 951 1 .00 0 .00 H ATOMO 378 2HB ASN A 28 -0. 866 11. 424 2. 822 1 .00 0 .00 H ATOMO 379 1HD2 ASN A 28 0. 200 12. 127 5. 133 1 .00 0 .00 H ATOMO 380 2HD2 ASN A 28 1. 243 13. 494 4. 965 1 .00 0 .00 H ATOMO 381 N GLU A 29 -3. 275 14. 422 3. 450 1 .00 0 .00 N ATOMO 382 CA GLU A 29 -3. 853 15. 677 3. 911 1 .00 0 .00 c ATOMO 383 C GLU A 29 -2. 778 16. 747 4. 0 0 1 .00 0 .00 c ATOMO 384 O GLU A 29 -2. 966 17. 895 3. 666 1 .00 0 .00 o ATOMO 385 CB GLU A 29 -4. 578 15. 464 5. 240 1 .00 0 .00 c ATOMO 386 CG GLU A 29 -5. 884 14. 698 5. 105 1 .00 0 .00 c ATOMO 387 CD GLU A 29 -6. 209 13. 880 6. 340 1 .00 0 .00 c ATOMO 388 OE1 GLU A 29 -7. 392 13. 520 6. 519 1 .00 0 .00 0 ATOMO 389 OE2 GLU A 29 -5. 280 13. 597 7. 126 1 .00 0 .00 0 ATOMO 390 H GLU A 29 -3. 373 13. 621 4. 007 1 .00 0 .00 H ATOMO 391 HA GLU A 29 -4. 566 16. 006 3. 170 1 .00 0 .00 H ATOMO 392 1HB GLU A 29 -3. 930 14. 913 5. 906 1 .00 0 .00 H ATOMO 393 2HB GLU A 29 -4. 793 16. 426 5. 676 1 .00 0 .00 H ATOMO 394 1HG GLU A 29 -6. 684 15. 403 4. 940 1 .00 0 .00 H ATOMO 395 2HG GLU A 29 -5. 810 14. 032 4. 258 1 .00 0 .00 H ATOMO 396 N ASN A 30 -1. 652 16. 365 4. 663 1 .00 0 .00 N ATOMO 397 CA ASN A 30 -0. 548 17. 294 4. 878 1 .00 0 .00 c ATOMO 398 C ASN A 30 0. 079 17. 717 3. 552 1 .00 0 .00 c ATOMO 399 0 ASN A 30 0. 610 18. 821 3. 431 1 .00 0, .00 0 ATOMO 400 CB ASN A 30 0. 515 16. 658 5. 777 1 .00 0 .00 c ATOMO 401 CG ASN A 30 -0. 022 16. 316 7. 152 1 .00 0 .00 c ATOMO 402 OD1 ASN A 30 -0. 761 15. 345 7. 320 1 .00 0 .00 0 ATOMO 403 ND2 ASN A 30 0.348 17.115 8.147 1.00 0.00 N ATOMO 404 H ASN A 30 -1. 562 15.437 4. 966 1.00 0. 00 H ATOMO 405 HA ASN A 30 -0. 944 18.170 5. 370 1.00 0. 00 H ATOMO 406 1HB ASN A 30 0. 871 15.750 5. 314 1.00 0. 00 H ATOMO 407 2HB ASN A 30 1. 338 17.347 5. 892 1.00 0. 00 H ATOMO 408 1HD2 ASN A 30 0. 939 17.869 7. 940 1.00 0. 00 H ATOMO 409 2HD2 ASN A 30 0. 016 16.916 9. 047 1.00 0. 00 H ATOMO 410 N GLY A 31. 0. 013 16.834 2. 560 1.00 0. 00 N ATOMO 411 CA GLY A 31 0. 580 17.140 1. 258 1.00 0. 00 C ATOMO 412 C GLY A 31 1. 881 16.401 0. 979 1.00 0. 00 C ATOMO 413 O GLY A 31 2. 485 16.589 -0. 077 1.00 0. 00 0 ATOMO 414 H GLY A 31 -0. 421 15.968 2. 712 1.00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 138 16.873 0. 498 1.00 0. 00 H ATOMO 416 2HA GLY A 31 0. 765 18.203 1. 201 1.00 0. 00 H ATOMO 417 N HIS A 32 2. 318 15.560 1. 916 1.00 0. 00 N ATOMO 418 CA HIS A 32 3. 552 14.803 1. 742 1.00 0. 00 C ATOMO 419 C HIS A 32 3. 305 13.562 0. 891 1.00 0. 00 c ATOMO 420 O HIS A 32 2. 183 13.058 0. 825 1.00 0. 00 0 ATOMO 421 CB HIS A 32 4. 124 14.402 3. 104 1.00 0. 00 c ATOMO 422 CG HIS A 32 5. 614 14.513 3. 184 1.00 0. 00 c ATOMO 423 ND1 HIS A 32 6. 262 15.649 3. 622 1.00 0. 00 N ATOMO 424 CD2 HIS A 32 6. 587 13.622 2. 880 1.00 0. 00 c ATOMO 425 CE1 HIS A 32 7. 568 15.452 3. 583 1.00 0. 00 c ATOMO 426 NE2 HIS A 32 7. 792 14.230 3. 136 1.00 0. 00 N ATOMO 427 H HIS A 32 1. 802 15.442 2. 738 1.00 0. 00 H ATOMO 428 HA HIS A 32 4. 262 15.438 1. 235 1.00 0. 00 H ATOMO 429 1HB HIS A 32 3. 703 15.040 3. 866 1.00 0. 00 H ATOMO 430 2HB HIS A 32 3. 854 13.376 3. 313 1.00 0. 00 H ATOMO 431 HD1 HIS A 32 5.829 16.477 3. 917 1.00 0. 00 H ATOMO 432 HD2 HIS A 32 6. 4.43 12.618 2. 504 1.00 0. 00 H ATOMO 433 HE1 HIS A 32 8. 324 16.169 3. 869 1.00 0. 00 H ATOMO 434 HE2 HIS A 32 8. 668 13.795 3. 098 1.00 0. 00 H ATOMO 435 N THR A 33 4. 355 13.075 0. 239 1.00 0. 00 N ATOMO 436 CA THR A 33 4. 239 11.894 -0. 607 1.00 0. 00 c ATOMO 437 C THR A 33 3. 962 10.649 0. 227 1.00 0. 00 c ATOMO 438 O THR A 33 4. 667 10.364 1. 195 1.00 0. 00 0 ATOMO 439 CB THR A 33 5. 512 11.693 -1. 431 1.00 0. 00 c ATOMO 440 OG1 THR A 33 5. 793 12.844 -2. 206 1.00 0. 00 0 ATOMO 441 CG2 THR A 33 5. 433 10.509 -2. 372 1.00 0. 00 c ATOMO 442 H THR A 33 5. 223 13.518 0. 328 1.00 0. 00 H ATOMO 443 HA THR A 33 3. 409 12.051 -1. 281 1.00 0. 00 H ATOMO 444 HB THR A 33 6. 342 11.527 -0. 759 1.00 0. 00 H ATOMO 445 HG1 THR A 33 6. 623 12.720 -2. 675 1.00 0. 00 H ATOMO 446 1HG2 THR A 33 6. 274 9.854 -2. 201 1.00 0. 00 H ATOMO 447 2HG2 THR A 33 5. 452 10.859 -3. 393 1.00 0. 00 H ATOMO 448 3HG2 THR A 33 4. 515 9.969 -2. 195 1.00 0. 00 H ATOMO 449 N VAL A 34 2. 933 9.907 -0. 165 1.00 0. 00 N ATOMO 450 CA VAL A 34 2. 558 8.686 0. 533 1.00 0. .00 c ATOMO 451 C VAL A 34 2. 366 7.544 -0. 453 1.00 0. 00 c ATOMO 452 0 VAL A 34 2. 414 7.745 -1. 666 1.00 0. 00 o ATOMO 453 CB VAL A 34 1. 265 8.875 1. 347 1.00 0. 00 c ATOMO 454 CG1 VAL A 34 1. 507 9.800 2. 530 1.00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 149 9.412 0. 462 1.00 0. 00 c ATOMO 456 H VAL A 34 2. 415 10.186 -0. 948 1.00 0. 00 H ATOMO 457 HA VAL A 34 3. 355 8.428 1. 213 1.00 0. 00 H ATOMO 458 HB VAL A 34 0. 959 7.912 1. 729 1.00 0. 00 H ATOMO 459 1HG1 VAL A 34 1. 402 10.826 2. 212 1.00 0. 00 H ATOMO 460 2HG1 VAL A 34 2.505 9..641 2.,911 1.00 0.00 H ATOMO 461 3HG1 VAL A 34 0 .787 9. .588 3. ,306 1 .00 0 .00 H ATOMO 462 1HG2 VAL A 34 0 .469 10. .334 0. 001 1 .00 0 .00 H ATOMO 463 2HG2 VAL A 34 -0 .730 9, .596 1. 062 1 .00 0 .00 H ATOMO 464 3HG2 VAL A 34 -0 .084 8. .687 -0. ,304 1 .00 0 .00 H ATOMO 465 N TYR A 35 2 .153 6. .345 0. ,069 1 .00 0 .00 N ATOMO 466 CA TYR A 35 1 .958 5, .171 -0. ,774 1 .00 0 .00 C ATOMO 467 C TYR A 35 0 .654 4. .462 -0. ,423 1.00 0 .00 C ATOMO 468 0 TYR A 35 0 .405 4. ,145 0. 739 1 .00 0 .00 O ATOMO 469 CB TYR A 35 3 .138 4. .208 -0. ,623 1.00 0 .00 C ATOMO 470 CG TYR A 35 4 .487 4. .891 -0. ,614 1 .00 0 .00 C ATOMO 471 CD1 TYR A 35 5 .134 5. .209 -1. .802 1 .00 0 .00 C ATOMO 472 CD2 TYR A 35 5 .114 5. .219 0. 582 1 .00 0 .00 C ATOMO 473 CE1 TYR A 35 6 .367 5. .833 -1. 798 1 .00 0 .00 C ATOMO 474 CE2 TYR A 35 6 .347 5. ,844 0. ,594 1 .00 0 .00 C ATOMO 475 CZ TYR A 35 6 .969 6. .149 -0. 599 1 .00 0 .00 C ATOMO 476 OH TYR A 35 8 .197 6. .769 -0. 591 1 .00 0 .00 o ATOMO 477 H TYR A 35 2 .132 6. .245 1. ,043 1 .00 0 .00 H ATOMO 478 HA TYR A 35 1 .908 5, .504 -1. 799 1 .00 0 .00 H ATOMO 479 1HB TYR A 35 3 .035 3. .666 0. ,305 1 .00 0 .00 H ATOMO 480 2HB TYR A 35 3 .125 3. .510 -1. 444 1 .00 0 .00 H ATOMO 481 HD1 TYR A 35 4 .660 4. .961 -2. 740 1 .00 0 .00 H ATOMO 482 HD2 TYR A 35 4 .624 4. .979 1. 514 1 .00 0 .00 H ATOMO 483 HE1 TYR A 35 6 .854 6. .072 -2. 732 1 .00 0 .00 H ATOMO 484 HE2 TYR A 35 6 .818 6. .090 1. 534 1 .00 0 .00 H ATOMO 485 HH TYR A 35 8 .111 7. .644 -0. 202 1 .00 0 .00 H ATOMO 486 N TYR A 36 -0 .179 4. 224 -1. 433 1 .00 0 .00 N ATOMO 487 CA TYR A 36 -1 .462 3. ,558 -1. 224 1 .00 0 .00 C ATOMO 488 C TYR A 36 -1 .605 2. 329 -2. 117 1 .00 0 .00 C ATOMO .489 O TYR A 36 -0 .846 2. 145 -3. 068 1 .00 0 .00 O ATOMO 490 CB TYR A 36 -2 .612 4. 531 -1. 491 1 .00 0 .00 C ATOMO 491 CG TYR A 36 -3 .018 5. 337 -0. 279 1 .00 0 .00 C ATOMO 492 CD1 TYR A 36 -2 .259 6. 422 0. 143 1 .00 0 .00 C ATOMO 493 CD2 TYR A 36 -4 .159 5. 014 0. 445 1 .00 0 .00 c ATOMO 494 CE1 TYR A 36 -2 .627 7. 162 1. 252 1 .00 0 .00 c ATOMO 495 CE2 TYR A 36 -4 .534 5. 749 1. 553 1 .00 0 .00 c ATOMO 496 CZ TYR A 36 -3 .765 6. 821 1. 953 1 .00 0 .00 c ATOMO 497 OH TYR A 36 -4 .134 7. 556 3. 056 1 .00 0 .00 o ATOMO 498 H TYR A 36 0 .071 4. 507 -2. 338 1 .00 0 .00 H ATOMO 499 HA TYR A 36 -1 .505 3. 242 -0. 195 1 .00 0 .00 H ATOMO 500 1HB TYR A 36 -2 .316 5. 223 -2. 265 1 .00 0 .00 H ATOMO 501 2HB TYR A 36 -3 .475 3. 974 -1. 824 1 .00 0, .00 H ATOMO 502 HD1 TYR A 36 -1, .369 6. 687 -0. 408 1 .00 0, .00 H ATOMO 503 HD2 TYR A 36 -4, .759 4. 173 0. 129 1 .00 0 .00 H ATOMO 504 HE1 TYR A 36 -2, .025 8. 002 1. 564 1 .00 0 .00 H ATOMO 505 HE2 TYR A 36 -5. .425 5. 482 2. 102 1 .00 0, .00 H ATOMO 506 HH TYR A 36 -3, .414 7. 563 3. 691 1 .00 0, .00 H ATOMO 507 N CYS A 37 -2. .586 1. 490 -1. 796 1, .00 0. .00 N ATOMO 508 CA CYS A 37 -2. .838 0. 268 -2. 560 1. .00 0, .00 C ATOMO 509 C CYS A 37 -4, .004 0. 458 -3. 522 1, .00 0. .00 C ATOMO 510 0 CYS A 37 -5. .054 0. 981 -3. 148 1, .00 0. .00 O ATOMO 511 CB CYS A 37 -3. .134 -0. 902 -1. 615 1, .00 0, ,00 C ATOMO 512 SG CYS A 37 -1. .646 -1. 654 -0. 882 1, .00 0. .00 S ATOMO 513 H CYS A 37 -3. .147 1. 695 -1. 019 1, .00 0. .00 H ATOMO 514 HA CYS A 37 -1. .950 0. 041 -3. 132 1. .00 0. ,00 H ATOMO 515 1HB CYS A 37 -3. .764 -0. 557 -0. 809 1. .00 0. ,00 H ATOMO 516 2HB CYS A 37 -3. .654 -1. 673 -2. 159 1. .00 0. ,00 H ATOMO 517 N ARG A 38 809 0.032 -4.766 1.00 0.00 ATOMO 518 CA ARG A 38 837 0 .155 -5. 790 1 .00 0. 00 ATOMO 519 C ARG A 38 049 -1 .174 -6. 506 1 .00 0. 00 ATOMO 520 0 ARG A 38 102 -1 .778 -7. 010 1 .00 0. 00 ATOMO 521 CB ARG A 38 453 1 .235 -6. 801 1 .00 0. 00 ATOMO 522 CG ARG A 38 260 2 .608 -6. 178 1 .00 0. 00 ATOMO 523 CD ARG A 38 585 3 .217 -5. 758 1 .00 0. 00 ATOMO 524 NE ARG A 38 584 4 .674 -5. 890 1 .00 0. 00 ATOMO 525 CZ ARG A 38 595 5 .459 -5. 518 1 .00 0. 00 ATOMO 526 NH1 ARG A 38 697 4 .939 -4. 985 1 .00 0. 00 ATOMO 527 NH2 ARG A 38 505 6 .772 -5. 679 1 .00 0. 00 ATOMO 528 H ARG A 38 950 -0 .374 -5. 002 1 .00 0. 00 ATOMO 529 HA ARG A 38 758 0 .439 -5. 304 1 .00 0. 00 ATOMO 530 1HB ARG A 38 530 0 .950 -7. 284 1 .00 0. 00 ATOMO 531 2HB ARG A 38 231 1 .309 -7. 547 1 .00 0. 00 ATOMO 532 1HG ARG A 38 627 2 .511 -5. 308 1 .00 0. 00 ATOMO 533 2HG ARG A 38 787 3 .257 -6. 900 1 .00 0. 00 ATOMO 534 1HD ARG A 38 368 2 .810 -6. 380 1 .00 0. 00 ATOMO 535 2HD ARG A 38 775 2 .958 -4. 726 1 .00 0. 00 ATOMO 536 HE ARG A 38 786 5 .089 -6. 279 1 .00 0. 00 ATOMO 537 1HH1 ARG A 38 774 3 .950 -4. 859 1 .00 0. 00 ATOMO 538 2HH1 ARG A 38 448 5 .538 -4. 710 1 .00 0. 00 ATOMO 539 1HH2 ARG A 38 678 7 .170 -6. 078 1 .00 0. 00 ATOMO 540 2HH2 ARG A 38 261 7 .364 -5. 401 1 .00 0. 00 ATOMO 541 N ALA A 39 296 -1 .621 -6. 545 1 .00 0. 00 ATOMO 542 CA ALA A 39 637 -2 .879 -7. 197 1 .00 0. 00 ATOMO 543 C ALA A 39 482 -2 .772 -8. 711 1 .00 0. 00 ATOMO 544 0 ALA A 39 269 -2 .029 -9. 334 1 .00 0. 00 ATOMO 545 CB ALA A 39 056 -3 .293 -6. 838 1 .00 0. 00 ATOMO 546 OXT ALA A 39 574 -3 .431 -9. 260 1 .00 0. 00 ATOMO 547 H ALA A 39 005 -1 .092 -6. 123 1 .00 0. 00 ATOMO 548 HA ALA A 39 962 -3 .638 -6. 829 1.00 0. 00 ATOMO 549 1HB ALA A 39 033 -3 .951 -5. 981 1 .00 0. 00 ATOMO 550 2HB ALA A 39 505 -3 .807 -7. 674 1 .00 0. 00 ATOMO 551 3HB ALA A 39 637 -2 .414 -6. 600 1 .00 0. 00 TE 552 ALA A 39 END DL MODELO 18 ATOMO 1 N GLY A 1 112 -15 .188 4. 499 1.00 0.00 N ATOMO 2 CA GLY A 1 816 -14 .625 4. 026 1.00 0.00 c ATOMO 3 C GLY A 1 466 -13 .319 4. 713 1.00 0.00 c ATOMO 4 O GLY A 1 000 -13 .008 5. 777 1.00 0.00 o ATOMO 5 1H GLY A 1 879 -14 .909 3. 855 1.00 0.00 H ATOMO 6 2H GLY A 1 329 -14 .834 5. 452 1.00 0.00 H ATOMO 7 3H GLY A 1 059 -16 .226 4. 531 1.00 0.00 H ATOMO 8 1HA GLY A 1 033 -15 .342 4. 219 1.00 0.00 H ATOMO 9 2HA GLY A 1 878 -14 .454 2. 962 1.00 0.00 H ATOMO 10 N SER A 2 565 -12 .555 4. 103 1.00 0.00 N ATOMO 11 CA SER A 2 144 -11 .277 4. 662 1.00 0.00 c ATOMO 12 C SER A 2 846 -10 .273 3. 553 1.00 0.00 c ATOMO 13 0 SER A 2 140 -10 .407 2. 828 1.00 0.00 o ATOMO 14 CB SER A 2 092 -11 .464 5. 544 1.00 0.00 c ATOMO 15 OG SER A 2 263 -11 .610 4. 759 1.00 0.00 o ATOMO 16 H SER A 2 176 -12 .859 3. 256 1.00 0.00 H ATOMO 17 HA SER A 2 953 -10 .896 5. 267 1.00 0.00 H ATOMO 18 1HB SER A 2 209 -10 .602 6. 183 1.00 0.00 H ATOMO 19 2HB SER A 2 033 -12 .348 6. 151 1.00 0.00 H ATOMO 20 HG SER A 2 1 150 -12.343 4.148 1.00 0.00 H ATOMO 21 N CYS A 3 -1 704 -9 .265 3. 429 1.00 0.00 N ATOMO 22 CA CYS A 3 -1 535 -8 .237 2. 412 1.00 0.00 C ATOMO 23 C CYS A 3 -2 160 -6 .923 2. 862 1.00 0.00 C ATOMO 24 0 CYS A 3 -2 899 -6 .880 3. .847 1.00 0.00 o ATOMO 25 CB CYS A 3 -2 159 -8 .686 1. ,087 1.00 0.00 C ATOMO 26 SG CYS A 3 -3 938 -9 .073 1. ,189 1.00 0.00 s ATOMO 27 H CYS A 3 -2 468 -9 .209 4. ,038 1.00 0.00 H ATOMO 28 HA CYS A 3 -0 475 -8 .086 2. .267 1.00 0.00 H ATOMO 29 1HB CYS A 3 -2 037 -7 .899 0. ,357 1.00 0.00 H ATOMO 30 2HB CYS A 3 -1 648 -9 .572 0. 741 1.00 0.00 H ATOMO 31 N VAL A 4 -1 863 -5 .856 2. ,134 1.00 0.00 N ATOMO 32 CA VAL A 4 -2 395 -4 .542 2. ,448 1.00 0.00 c ATOMO 33 C VAL A 4 -3 736 -4 .320 1. ,742 1.00 0.00 c ATOMO 34 O VAL A 4 -3 848 -4 .558 0. .544 1.00 0.00 o ATOMO 35 CB VAL A 4 -1 400 -3 .450 2. 018 1.00 0.00 c ATOMO 36 CG1 VAL A 4 -1 952 -2 .060 2. 299 1.00 0.00 c ATOMO 37 CG2 VAL A 4 -0 068 -3 .657 2. 720 1.00 0.00 c ATOMO 38 H VAL A 4 -1 271 -5 .954 1. .361 1.00 0.00 H ATOMO 39 HA VAL A 4 -2 529 -4 .483 3. 514 1.00 0.00 H ATOMO 40 HB VAL A 4 -1 238 -3 .541 0. .956 1.00 0.00 H ATOMO 41 1HG1 VAL A 4 -1 158 -1 .335 2. 222 1.00 0.00 H ATOMO 42 2HG1 VAL A 4 -2 373 -2 .035 3. 293 1.00 0.00 H ATOMO 43 3HG1 VAL A 4 -2 723 -1 .830 1. 577 1.00 0.00 H ATOMO 44 1HG2 VAL A 4 -0 241 -4 .083 3. 697 1.00 0.00 H ATOMO 45 2HG2 VAL A 4 0 435 -2 .708 2. 824 1.00 0.00 H ATOMO 46 3HG2 VAL A 4 0 543 -4 .329 2. 137 1.00 0.00 H ATOMO 47 N PRO A 5 -4 776 -3 .851 2. 459 1.00 0.00 tJ ATOMO 48 CA PRO A 5 -6 083 -3 .608 1. 848 1.00 0.00 c ATOMO 49 C PRO A 5 -6 032 -2 .466 0. 839 1.00 0.00 c ATOMO 50 0 PRO A 5 -5 424 -1 .418 1. 089 1.00 0.00 o ATOMO 51 CB PRO A 5 -6 991 -3 .240 3. 032 1.00 0.00 c ATOMO 52 CG PRO A 5 -6 223 -3 .605 4. 259 1.00 0.00 c ATOMO 53 CD PRO A 5 -4 771 -3 .511 3. 890 1.00 0.00 c ATOMO 54 HA PRO A 5 -6 461 -4 .499 1. 362 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7 210 -2 .183 3. 004 1.00 0.00 H ATOMO 56 2HB PRO A 5 -7 911 -3 .801 2. 965 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6 452 -2 .911 5. 054 1.00 0.00 H ATOMO 58 2HG PRO A 5 -6 468 -4 .613 4. 559 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4 403 -2 .507 4. 048 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4 192 -4 .221 4. 456 1.00 0.00 H ATOMO 61 N VAL A 6 -6. 681 -2 .661 -0. 306 1.00 0.00 N ATOMO 62 CA VAL A 6 -6 710 -1 .645 -1. 339 1.00 0.00 c ATOMO 63 C VAL A 6 -7 296 -0 .358 -0. 788 1.00 0.00 c ATOMO 64 0 VAL A 6 -8 108 -0 .381 0. 135 1.00 0.00 o ATOMO 65 CB VAL A 6 -7 508 -2 .120 -2. 568 1.00 0.00 c ATOMO 66 CG1 VAL A 6 -7 583 -1 .036 -3. 632 1.00 0.00 c ATOMO 67 CG2 VAL A 6 -6 875 -3 .377 -3. 134 1.00 0.00 c ATOMO 68 H VAL A 6 -7 157 -3 .499 -0. 453 1.00 0.00 H ATOMO 69 HA VAL A 6 -5 690 -1 .459 -1. 648 1.00 0.00 H ATOMO 70 HB VAL A 6 -8 512 -2 .357 -2. 254 1.00 0.00 H ATOMO 71 1HG1 VAL A 6 -8 146 -0 .198 -3. 251 1.00 0.00 H ATOMO 72 2HG1 VAL A 6 -8 070 -1 .429 -4. 511 1.00 0.00 H ATOMO 73 3HG1 VAL A 6 -6 583 -0 .715 -3. 887 1.00 0.00 H ATOMO 74 1HG2 VAL A 6 -5 819 -3 .380 -2. 903 1.00 0.00 H ATOMO 75 2HG2 VAL A 6 -7 009 -3 .398 -4. 205 1.00 0.00 H ATOMO 76 3HG2 VAL A 6 -7 341 -4 .244 -2. 693 1.00 0.00 H ATOMO 77 N ASP A 7 -6 841 0.761 -1.333 1.00 0.00 N ATOMO 78 CA ASP A 7 -7 269 2. 073 -0. 888 1.00 0.00 C ATOMO 79 C ASP A 7 -6 642 2. 416 0. 467 1.00 0.00 C ATOMO 80 0 ASP A 7 -6 959 3. 453 1. 050 1.00 0.00 o ATOMO 81 CB ASP A 7 -8 794 2. 158 -0. 810 1.00 0.00 c ATOMO 82 CG ASP A 7 -9 465 1. 683 -2. 084 1.00 0.00 c ATOMO 83 ODl ASP A 7 -8 935 1. 969 -3. 177 1.00 0.00 o ATOMO 84 0D2 ASP A 7 -10 522 1. 024 -1.. 988 1.00 0.00 o ATOMO 85 H ASP A 7 -6 175 0. 705 -2. 035 1.00 0.00 H ATOMO 86 HA ASP A 7 -6 919 2. 790 -1. 616 1.00 0.00 H ATOMO 87 1HB ASP A 7 -9 142 1. 546 0. 008 1.00 0.00 H ATOMO 88 2HB ASP A 7 -9 075 3. 181 -0. 637 1.00 0.00 H ATOMO 89 N GLN A 8 -5 736 1. 557 0. 965 1.00 0.00 N ATOMO 90 CA GLN A 8 -5 078 1. 813 2. 235 1.00 0.00 c ATOMO 91 C GLN A 8 -3 581 2. 033 2. 022 1.00 0.00 c ATOMO 92 0 GLN A 8 -3 018 1. 570 1. 030 1.00 0.00 o ATOMO 93 CB GLN A 8 -5 308 0. 659 3. 209 1.00 0.00 c ATOMO 94 CG GLN A 8 -6 765 0. 248 3. 330 1.00 0.00 c ATOMO 95 CD GLN A 8 -7 666 1. 403 3. 724 1.00 0.00 C ATOMO 96 OE1 GLN A 8 -7 304 2. 229 4. 562 1.00 0.00 o ATOMO 97 NE2 GLN A 8 -8 846 1. 466 3. 120 1.00 0.00 N ATOMO 98 H GLN A 8 -5 496 0. 744 0. 467 1.00 0.00 H ATOMO 99 HA GLN A 8 -5 504 2. 713 2. 646 1.00 0.00 H ATOMO 100 1HB GLN A 8 -4 739 -0. 196 2. 878 1.00 0.00 H ATOMO 101 2HB GLN A 8 -4 957 0. 955 4. 188 1.00 0.00 H ATOMO 102 1HG GLN A 8 -7 097 -0. 137 2. 379 1.00 0.00 H ATOMO 103 2HG GLN A 8 -6 846 -0. 524 4. 081 1.00 0.00 H ATOMO 104 1HE2 GLN A 8 -9 068 0. 772 2. 463 1.00 0.00 H ATOMO 105 2HE2 GLN A 8 -9 449 2. 202 3. 355 1.00 0.00 H ATOMO 106 N PRO A 9 -2 913 2. 756 2. 939 1.00 0.00 N ATOMO 107 CA PRO A 9 -1 483 3. 037 2. 816 1.00 0.00 c ATOMO 108 C PRO A 9 -0 610 1. 795 2. 922 1.00 0.00 c ATOMO 109 0 PRO A 9 -0 867 0. 899 3. 726 1.00 0.00 o ATOMO 110 CB RO A 9 -1 188 3. 989 3. 973 1.00 0.00 c ATOMO 111 CG PRO A 9 -2 295 3. 778 4. 950 1.00 0.00 c ATOMO 112 CD PRO A 9 -3 497 3. 370 4. 147 1.00 0.00 c ATOMO 113 HA PRO A 9 -1 268 3. 537 1. 884 1.00 0.00 H ATOMO 114 1HB PRO A 9 -0 228 3. 746 4. 408 1.00 0.00 H ATOMO 115 2HB PRO A 9 -1 170 5. 000 3. 604 1.00 0.00 H ATOMO 116 1HG PRO A 9 -2 027 2. 995 5. 643 1.00 0.00 H ATOMO 117 2HG PRO A 9 -2 496 4. 695 5. 480 1.00 0.00 H ATOMO 118 1HD PRO A 9 -4 089 2. 655 4. 696 1.00 0.00 H ATOMO 119 2HD PRO A 9 -4 092 4. 233 3. 889 1.00 0.00 H ATOMO 120 N CYS A 10 0 434 1. 769 2. 107 1.00 0.00 N ATOMO 121 CA CYS A 10 1 379 0. 661 2. 094 1.00 0.00 c ATOMO 122 C CYS A 10 2 812 1. 176 2. 143 1.00 0.00 C ATOMO 123 O CYS A 10 3 050 2. 381 2. 221 1.00 0.00 o ATOMO 124 CB CYS A 10 1 180 -0. 199 0. 846 1.00 0.00 c ATOMO 125 SG CYS A 10 1 075 0. 748 -0. 707 1.00 0.00 s ATOMO 126 H CYS A 10 0 578 2. 526 1. 501 1.00 0.00 H ATOMO 127 HA CYS A 10 1 195 0. 058 2. 971 1.00 0.00 H ATOMO 128 1HB CYS A 10 2 007 -0. 886 0. 754 1.00 0.00 H ATOMO 129 2HB CYS A 10 0 266 -0. 761 0. 951 1.00 0.00 H ATOMO 130 N SER A 11 3 762 0. 253 2. 093 1.00 0.00 N ATOMO 131 CA SER A 11 5 178 0. 601 2. 127 1.00 0.00 c ATOMO 132 C SER A 11 5 971 -0. 267 1. 155 1.00 0.00 c ATOMO 133 O SER A 11 5 535 -1. 357 0. 785 1.00 0.00 o ATOMO 134 CB SER A 11 5.730 0.438 3.545 1.00 0.00 C ATOMO 135 OG SER A 11 5. 672 1. 661 4 .258 1 .00 0. 00 0 ATOMO 136 H SER A 11 3. 504 -0. 687 2 .029 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 272 1. 634 1 .829 1 .00 0. 00 H ATOMO 138 1HB SER A 11 5. 147 -0. 300 4 .073 1 .00 0. 00 H ATOMO 139 2HB SER A 11 6. 759 0. 114 3 .493 1 .00 0. 00 H ATOMO 140 HG SER A 11 5. 198 1. 528 5 .082 1 .00 0. 00 H ATOMO 141 N LEU A 12 7. 135 0. 224 0 .743 1 .00 0. 00 N ATOMO 142 CA LEU A 12 7. 986 -0. 512 -0 .188 1 .00 0. 00 c ATOMO 143 C LEU A 12 8. 724 -1. 659 0 .504 1 .00 0. 00 c ATOMO 144 O LEU A 12 9. 247 -2. 555 -0 .160 1 .00 0. 00 0 ATOMO 145 CB LEU A 12 8. 993 0. 426 -0 .866 1 .00 0. 00 c ATOMO 146 CG LEU A 12 9. 656 1. 463 0 .046 1 .00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 262 0. 799 1 .273 1 .00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 718 2. 232 -0 .722 1 .00 0. 00 c ATOMO 149 H LEU A 12 7. 428 1. 098 1 .073 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7. 343 -0. 931 -0 .948 1 .00 0. 00 H ATOMO 151 1HB LEU A 12 9. 770 -0. 179 -1 .307 1 .00 0. 00 H ATOMO 152 2HB LEU A 12 8. 481 0. 953 -1 .657 1 .00 0. 00 H ATOMO 153 HG LEU A 12 8. 912 2. 170 0 .382 1 .00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 058 1. 417 1 .659 1 .00 0.. 00 H ATOMO 155 2HD1 LEU A 12 10. 658 -0. 168 1 .000 1 .00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 502 0. 678 2 .029 1 .00 0. 00 H ATOMO 157 1HD2 LEU A 12 10. 276 2. 672 -1 .603 1 .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 509 1. 559 -1 .013 1 .00 0. 00 H ATOMO 159 3HD2 LEU A 12 11. 121 3. 013 -0 .092 1 .00 0. 00 H ATOMO 160 N ASN A 13 8. 769 -1. 635 1 .837 1 .00 0. 00 N ATOMO 161 CA ASN A 13 9. 446 -2. 680 2 .595 1 .00 0. 00 c ATOMO 162 C ASN A 13 8. 453 -3. 570 3 .349 1 .00 0. 00 c ATOMO 163 O ASN A 13 . 8. 853 -4. 375 4 .190 1 .00 0. 00 o ATOMO 164 CB ASN A 13 10. 436 -2. 056 3 .583 1 .00 0. 00 c ATOMO 165 CG ASN A 13 11. 676 -1. 520 2 .897 1 .00 0. 00 c ATOMO 166 OD1 ASN A 13 12. 126 -2. 064 1 .888 1 .00 0. 00 o ATOMO 167 ND2 ASN A 13 12. 237 -0. 447 3 .442 1 .00 0. 00 N ATOMO 168 H ASN A 13 8. 339 -0. 904 2 .322 1 .00 0. 00 H ATOMO 169 HA ASN A 13 9. 994 -3. 291 1 .896 1 .00 0. 00 H ATOMO 170 1HB ASN A 13 9. 952 -1. 242 4 .101 1 .00 0. 00 H ATOMO 171 2HB ASN A 13 10. 737 -2. 805 4 .301 1 .00 0. 00 H ATOMO 172 1HD2 ASN A 13 11. 825 -0. 067 4 .246 1 .00 0. 00 H ATOMO 173 2HD2 ASN A 13 13. 041 -0. 079 3 .020 1 .00 0. 00 H ATOMO 174 N THR A 14 7. 161 -3. 427 3 .052 1 .00 0. 00 N ATOMO 175 CA THR A 14 6. 136 -4. 225 3 .713 1 .00 0. 00 c ATOMO 176 C THR A 14 5. 507 -5. 215 2 .739 1 .00 0. 00 c ATOMO 177 0 THR A 14 5. 917 -5. 310 1 .581 1 .00 0. 00 0 ATOMO 178 CB THR A 14 5. 058 -3. 317 4 .304 1 .00 0. 00 c ATOMO 179 OG1 THR A 14 4. 466 -2. 518 3 .296 1 .00 0. 00 0 ATOMO 180 CG2 THR A 14 5. 582 -2. 387 5 .378 1 .00 0. 00 c ATOMO 181 H THR A 14 6. 887 -2. 776 2 .377 1 .00 0. 00 H ATOMO 182 HA THR A 14 6. 609 -4. 776 4 .512 1 .00 0. 00 H ATOMO 183 HB THR A 14 4. 287 -3. 930 4 .748 1 .00 0. 00 H ATOMO 184 HG1 THR A 14 4. 153 -3. 080 2 .584 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 4. 789 -1. 732 5 .706 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 6. 395 -1. 798 4 .978 1 .00 0. 00 H ATOMO 187 3HG2 THR A 14 5. 938 -2. 969 6 .216 1 .00 0. 00 H ATOMO 188 N GLN A 15 4. 509 -5. 950 3 .216 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3. 820 -6. 934 2 .394 1 .00 0. 00 c ATOMO 190 C GLN A 15 3. 074 -6. 260 1 .241 1 .00 0. 00 c ATOMO 191 0 GLN A 15 2.725 -5.083 1.329 1.00 0.00 o ATOMO 192 CB GLN A 15 2 .841 -7 .736 3.252 1 .00 0. 00 C ATOMO 193 CG GLN A 15 3 .506 -8 .488 4.393 1 .00 0. 00 c ATOMO 194 CD GLN A 15 4 .328 -9 .668 3.913 1 .00 0. 00 c ATOMO 195 0E1 GLN A 15 5 .547 -9 .701 4.083 1 .00 0. 00 o ATOMO 196 NE2 GLN A 15 3 .662 -10 .646 3.308 1 .00 0. 00 N ATOMO 197 H GLN A 15 4 .230 -5 .828 4.145 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4 .561 -7 .605 1.986 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 2 .112 -7 .059 3.672 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2 .335 -8 .451 2.624 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 4 .156 -7 .809 4.925 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 2 .740 -8 .851 5.063 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 2 .692 -10 .552 3.207 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 4 .169 -11 .421 2.988 1 .00 0. 00 H ATOMO 205 N PRO A 16 2 .813 -6 .995 0.140 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2 .100 -6 .445 1.020 1 .00 0. 00 C ATOMO 207 C PRO A 16 0 .661 -6 .070 -0.685 1 .00 0. 00 C ATOMO 208 0 PRO A 16 0 .232 -6 .182 0.463 1 .00 0. 00 O ATOMO 209 CB PRO A 16 2 .134 -7 .584 2.043 1 .00 0. 00 C ATOMO 210 CG PRO A 16 2 .336 -8 .819 1.237 1 .00 0. 00 C ATOMO 211 CD PRO A 16 3 .182 -8 .410 0.065 1 .00 0. 00 C ATOMO 212 HA PRO A 16 2 .609 -5 .580 1.422 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1 .199 -7 .613 2.583 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 2 .948 -7 .426 2.734 1 .00 0. 00 H ATOMO 215 1HG PRO A 16 1 .383 -9 .198 0.899 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 2 .849 -9 .564 1.827 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 2 .936 -9 .004 0.804 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4 .231 -8 .503 0.304 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0 .080 -5 .624 -1.694 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1 .471 -5 .233 1.501 1 .00 0. 00 C ATOMO 221 C CYS A 17 -2 .409 -6 .419 1.698 1 .00 0. 00 C ATOMO 222 0 CYS A 17 -1 .978 -7 .522 2.033 1 .00 0. 00 O ATOMO 223 CB CYS A 17 -1 .849 -4 .104 2.461 1 .00 0. 00 C ATOMO 224 SG CYS A 17 -0 .766 -2 .642 2.358 1 .00 0. 00 S ATOMO 225 H CYS A 17 0 .316 -5 .555 2.587 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1 .577 -4 .877 0.488 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1 .807 -4 .473 3.475 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2 .856 -3 .781 2.241 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3 .693 -6 .174 1.478 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4 .716 -7 .202 1.616 1 .00 0. 00 C ATOMO 231 C CYS A 18 -5 .501 -7 .015 2.909 1 .00 0. 00 C ATOMO 232 O CYS A 18 -5 .406 -5 .975 3.559 1 .00 0. 00 O ATOMO 233 CB CYS A 18 -5 :668 -7 .157 0.419 1 .00 0. 00 C ATOMO 234 SG CYS A 18 -4 .838 -7 .253 1.200 1 .00 0. 00 S ATOMO 235 H CYS A 18 -3 .962 -5 .273 1.209 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4 .224 -8 .163 1.640 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6 .221 -6 .230 0.446 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6 .359 -7 .982 0.483 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .276 -8 .029 3.279 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -7 .0.83 -7 .977 4.497 1 .00 0. 00 C ATOMO 241 C ASP A 19 -6 .221 -7 .654 5.716 1 .00 0. 00 C ATOMO 242 O ASP A 19 -6 .684 -7 .029 6.669 1 .00 0. 00 O ATOMO 243 CB ASP A 19 -8 .193 -6 .934 4.354 1 .00 0. 00 C ATOMO 244 CG ASP A 19 -9 .335 -7 .421 3.483 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -10 .481 -7 .464 3.977 1 .00 0. 00 o ATOMO 246 OD2 ASP A 19 -9 .083 -7 .762 2.309 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6 .309 -8 .830 2.716 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7.531 -8.949 -4.636 1.00 0.00 H ATOMO 249 1HB ASP A 19 -7 .783 -6 .040 -3 .909 1.00 0 .00 H ATOMO 250 2HB ASP A 19 -8 .585 -6 .698 -5 .332 1.00 0 .00 H ATOMO 251 N ASP A 20 -4 .962 -8 .082 -5 .672 1.00 0 .00 N ATOMO 252 CA ASP A 20 -4 .027 -7 .840 -6 .765 1.00 0 .00 c ATOMO 253 C ASP A 20 -3 .752 -6 .350 -6 .930 1.00 0 .00 c ATOMO 254 O ASP A 20 -3 .595 -5 .855 -8 .046 1.00 0 .00 0 ATOMO 255 CB ASP A 20 -4 .566 -8 .422 -8 .076 1.00 0 .00 c ATOMO 256 CG ASP A 20 -3 .465 -8.716 -9 .074 1.00 0 .00 c ATOMO 257 OD1 ASP A 20 -3 .053 -9 .891 -9 .175 1.00 0 .00 0 ATOMO 258 OD2 ASP A 20 -3 .013 -7 .772 -9 .756 1.00 0 .00 0 ATOMO 259 H ASP A 20 -4 .654 -8 .573 -4 .882 1.00 0 .00 H ATOMO 260 HA ASP A 20 -3 .101 -8 .335 -6 .519 1.00 0 .00 H ATOMO 261 1HB ASP A 20 -5 .092 -9 .341 -7 .865 1.00 0 .00 H ATOMO 262 2HB ASP A 20 -5 .252 -7 .714 -8 .521 1.00 0 .00 H ATOMO 263 N ALA A 21 -3 .688 -5 .639 -5 .809 1.00 0 .00 N ATOMO 264 CA ALA A 21 -3 .424 -4 .204 -5 .830 1.00 0 .00 c ATOMO 265 C ALA A 21 -1 .933 -3 .928 -5 .971 1.00 0 .00 c ATOMO 266 0 ALA A 21 -1 .115 -4 .848 -5 .944 1.00 0 .00 0 ATOMO 267 CB ALA A 21 -3 .963 -3 .542 -4 .569 1.00 0 .00 c ATOMO 268 H ALA A 21 -3 .818 -6 .091 -4 .949 1.00 0 .00 H ATOMO 269 HA ALA A 21 -3 .941 -3 .782 -6 .679 1.00 0 .00 H ATOMO 270 1HB ALA A 21 -3 ;998 -4 .266 -3 .771 1.00 0 .00 H ATOMO 271 2HB ALA A 21 -4 .957 -3 .164 -4 .756 1.00 0 .00 H ATOMO 272 3HB ALA A 21 -3 .316 -2 .725 -4 .285 1.00 0 .00 H ATOMO 273 N THR A 22 -1 .587 -2 .656 -6 .118 1.00 0 .00 N ATOMO 274 CA THR A 22 -0 .197 -2 .254 -6 .260 1.00 0 .00 c ATOMO 275 C THR A 22 0 .102 -1 .036 -5 .395 1.00 0 .00 c ATOMO 276 0 THR A 22 -0 .710 -0, .115 -5 .301 1.00 0 .00 0 ATOMO 277 CB THR A 22 0 .116 -1, .947 -7 .724 1.00 0 .00 c ATOMO 278 OGl THR A 22 -0 .172 -3, .066 -8 .545 1.00 0 .00 o ATOMO 279 CG2 THR A 22 1 .559 -1, .564 -7 .959 1.00 0 .00 c ATOMO 280 H THR A 22 -2, .284 -1. ,969 -6, .130 1.00 ü , .00 H ATOMO 281 HA THR A 22 0 .422 -3, .076 -5 .933 1.00 0 .00 H ATOMO 282 HB THR A 22 -0. .501 -1. .122 -8 .047 1.00 0 .00 H ATOMO 283 HG1 THR A 22 -0. .335 -2. .770 -9, .443 1.00 0, .00 H ATOMO 284 1HG2 THR A 22 1. ,729 -0. .562 -7. .596 1.00 0, .00 H ATOMO 285 2HG2 THR A 22 1, ,774 -1, ,606 -9. .016 1.00 0, .00 H ATOMO 286 3HG2 THR A 22 2. .203 -2. .254 -7. .433 1.00 0, .00 H ATOMO 287 N CYS A 23 1. .273 -1. ,035 -4. .769 1.00 0. ,00 N ATOMO 288 CA CYS A 23 1. .682 0. .075 -3. .916 1.00 0. ,00 c ATOMO 289 C CYS A 23 2. .175 1. 235 -4, .777 1.00 0. ,00 c ATOMO 290 0 CYS A 23 3. .196 1. ,125 -5. .455 1.00 0. ,00 0 ATOMO 291 CB CYS A 23 2. ,779 -0. ,383 -2. ,952 1.00 0, ,00 c ATOMO 292 SG CYS A 23 2. .956 0. ,659 -1, .469 1.00 0. .00 S ATOMO 293 H CYS A 23 1. .880 -1. 796 -4. ,886 1.00 0. ,00 H ATOMO 294 HA CYS A 23 0. ,821 0. 397 -3. .350 1.00 0. ,00 H ATOMO 295 1HB CYS A 23 2. ,559 -1. 387 -2. 622 1.00 0. 00 H ATOMO 296 2HB CYS A 23 3. ,727 -0. 381 -3. 471 1.00 0. 00 H ATOMO 297 N THR A 24 1. 427 2. 337 -4. 769 1.00 0. 00 N ATOMO 298 CA THR A 24 1. 772 3. 500 -5. 573 1.00 0. 00 c ATOMO 299 C THR A 24 1. 939 4. 757 -4. 721 1.00 0. 00 c ATOMO 300 0 THR A 24 1. 377 4. 875 -3. 631 1.00 0. 00 o ATOMO 301 CB THR A 24 0. 690 3. 731 -6. 638 1.00 0. 00 c ATOMO 302 OGl THR A 24 0. 702 2. 688 -7. 595 1.00 0. 00 o ATOMO 303 CG2 THR A 24 0. 836 5. 042 -7. 388 1.00 0. 00 c ATOMO 304 H THR A 24 0. 614 2. 360 -4. 229 1.00 0. 00 H ATOMO 305 HA THR A 24 2.708 3.294 -6.071 1.00 0.00 H ATOMO 306 HB THR A 24 -0 .276 3 .734 -6 .153 1 .00 0 .00 H ATOMO 307 HG1 THR A 24 -0 .048 2 .106 -7 .445 1 .00 0 .00 H ATOMO 308 1HG2 THR A 24 0 .600 5 .862 -6 .72 1 .00 0 .00 H ATOMO 309 2HG2 THR A 24 0 .161 5 .053 -8 .228 1 .00 0 .00 H ATOMO 310 3HG2 THR A 24 1 .852 5 .145 -7 .737 1 .00 0 .00 H ATOMO 311 N GLN A 25 2 .699 S .700 -5 .263 1 .00 0 .00 N ATOMO 312 CA GLN A 25 2 .944 6 .976 -4 .615 1 .00 0 .00 C ATOMO 313 C GLN A 25 1 .712 7 .871 -4 .744 1 .00 0 .00 C ATOMO 314 0 GLN A 25 1 .179 8 .055 -5 .839 1 .00 0 .00 0 ATOMO 315 CB GLN A 25 4 .162 7 .652 -5 .253 1 .00 0 .00 C ATOMO 316 CG GLN A 25 4 .416 9 .056 -4 .741 1 .00 0 .00 C ATOMO 317 CD GLN A 25 5 .827 9 .535 -5 .020 1 .00 0 .00 c ATOMO 318 0E1 GLN A 25 6 .030 10 .557 -5 .676 1 .00 0 .00 0 ATOMO 319 NE2 GLN A 25 6 .813 8 .798 -4 .520 1 .00 0 .00 N ATOMO 320 H GLN A 25 3 .092 5 .539 -6 .143 1 .00 0 .00 H ATOMO 321 HA GLN A 25 3 .144 6 .799 -3 .570 1 .00 0 .00 H ATOMO 322 1HB GLN A 25 5 .037 7 .053 -5 .050 1 .00 0 .00 H ATOMO 323 2HB GLN A 25 4 .011 7 .704 -6 .321 1 .00 0 .00 H ATOMO 324 1HG GLN A 25 3 .720 9 .725 -5 .220 1 .00 0 .00 H ATOMO 325 2HG GLN A 25 4 .249 9 .066 -3 .675 1 .00 0 .00 H ATOMO 326 1HE2 GLN A 25 6 .577 7 .996 -4 .007 1 .00 0 .00 H ATOMO 327 2HE2 GLN A 25 7 .735 9 .085 -4 .685 1 .00 0 .00 H ATOMO 328 N GLU A 26 1 .266 8 .420 -3 .624 1 .00 0 .00 N ATOMO 329 CA GLU A 26 0 .098 9 .291 -3 .612 1 .00 0 .00 c ATOMO 330 C GLU A 26 0 .291 10 .451 -2 .644 1 .00 0 .00 c ATOMO 331 0 GLU A 26 .1 .353 10 .603 -2 .041 1 .00 0 .00 0 ATOMO 332 CB GLU A 26 -1 .150 8 .494 -3 .232 1 .00 0 .00 c ATOMO 333 CG GLU A 26 -1 .433 7 .329 -4 .166 1 .00 0 .00 c ATOMO 334 CD GLU A 26 -2 .785 6 .693 -3 .913 1 .00 0 .00 c ATOMO 335 OE1 GLU A 26 -2 .880 5 .450 -3 .991 1 .00 0 .00 0 ATOMO 336 0E2 GLU A 26 -3 .749 7 .437 -3 .636 1 .00 0 .00 0 ATOMO 337 H GLU A 26 1 .734 8 .234 -2 .784 1 .00 0 .00 H ATOMO 338 HA GLU A 26 -0 .031 9 .689 -4 .607 1 .00 0 .00 H ATOMO 339 1HB GLU A 26 -1 .026 8 .106 -2 .233 1, .00 0 .00 H ATOMO 340 2HB GLU A 26 -2 .004 9 .155 -3 .248 1 .00 0 .00 H ATOMO 341 1HG GLU A 26 -1 .406 7 .686 -5 .185 1 .00 0 .00 H ATOMO 342 2HG GLU A 26 -0 .666 6 .581 -4 .029 1 .00 0 .00 H ATOMO 343 N ARG A 27 -0 .746 11 .268 -2 .500 1, .00 0 .00 N ATOMO 344 CA ARG A 27 -0, .699 12, .419 -1 .606 1, .00 0 .00 c ATOMO 345 C ARG A 27 -1. .748 12 .297 -0 .506 1, .00 0 .00 c ATOMO 346 O ARG A 27 -2 .872 11, .858 -0 .754 1, .00 0 .00 0 ATOMO 347 CB ARG A 27 -0, .918 13, .711 -2, .395 1. .00 0, .00 c ATOMO 348 CG ARG A 27 0. .324 14, .195 -3, .126 1. .00 0, .00 c ATOMO 349 CD ARG A 27 0, .421 15, .713 -3, .123 1. .00 0, .00 c ATOMO 350 NE ARG A 27 1. .376 16, .203 -4, .115 1, .00 0, .00 N ATOMO 351 CZ ARG A 27 1. .609 17, .494 -4. .354 1. .00 0, .00 c ATOMO 352 NHl ARG A 27 0. .961 18, .437 -3, .676 1. .00 0. .00 N ATOMO 353 NH2 ARG A 27 2; .496 17. .845 -5, .276 1. .00 0, .00 N ATOMO 354 H ARG A 27 -1. .564 11. .092 -3. .010 1, .00 0. .00 H ATOMO 355 HA ARG A 27 0. ,280 12. .448 -1. ,151 1. ,00 0. .00 H ATOMO 356 1HB ARG A 27 -1. ,697 13. .547 -3. .124 1. ,00 0. .00 H ATOMO 357 2HB ARG A 27 -1. ,234 14. .486 -1. .713 1. .00 0. .00 H ATOMO 358 1HG ARG A 27 1. .199 13. .789 -2. .640 1. ,00 0. ,00 H ATOMO 359 2HG ARG A 27 0. ,286 13. ,848 -4. .148 1. .00 0. .00 H ATOMO 360 1HD ARG A 27 -0. ,554 16. ,122 -3. 342 1. 00 0. ,00 H ATOMO 361 2HD ARG A 27 0. ,735 16. ,039 -2. .142 1. ,00 0. ,00 H ATOMO 362 HE ARG A 27 1.871 15.535 -4.633 1.00 0.00 H ATOMO 363 1HH1 ARG A 27 0. 292 18 .182 -2 .979 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 1. 145 19 .401 -3 .863 1 .00 0 .00 H ATOMO 365 1HH2 ARG A 27 2. 988 17 .142 -5 .789 1 .00 0 .00 H ATOMO 366 2HH2 ARG A 27 2. 672 18 .813 -5 .456 1 .00 0 .00 H ATOMO 367 N ASN A 28 -1. 375 12 .687 0 .708 1 .00 0 .00 N ATOMO 368 CA ASN A 28 -2. 286 12 .620 1 .845 1 .00 0 .00 C ATOMO 369 C ASN A 28 -3. 017 13 .946 2 .041 1 .00 0 .00 c ATOMO 370 0 ASN A 2.8 -2. 892 14 .860 1 .227 1 .00 0 .00 0 ATOMO 371 CB ASN A 28 -1. 520 12 .246 3 .117 1 .00 0 .00 c ATOMO 372 CG ASN A 28 -0. 514 13 .304 3 .528 1 .00 0 .00 c ATOMO 373 0D1 ASN A 28 -0. 291 14 .277 2 .810 1 .00 0 .00 0 ATOMO 374 ND2 ASN A 28 0. 100 13 .117 4 .691 1 .00 0 .00 N ATOMO 375 H ASN A 28 -0. 466 13 .028 0 .843 1 .00 0 .00 H ATOMO 376 HA ASN A 28 -3. 015 11 .851 1 .637 1 .00 0 .00 H ATOMO 377 1I1B ASN A 28 -2. 221 12 .110 3 .926 1 .00 0 .00 H ATOMO 37T 2HB ASN A 28 -0. 990 11 .322 2 .948 1 .00 0 .00 H ATOMO 379 1HD2 ASN A 28 -0. 127 12 .319 5 .211 1 .00 0 .00 H ATOMO 380 2HD2 ASN A 28 0. 755 13 .786 4 .981 1 .00 0 .00 H ATOMO 381 N GLÜ A 29 -3. 776 14 .041 3 .127 1 .00 0 .00 N ATOMO 382 CA GLU A 29 -4. 524 15 .252 3 .433 1 .00 0 .00 c ATOMO 383 C GLÜ A 29 -3. 581 16 .425 3 .678 1 .00 0 .00 c ATOMO 384 0 GLU A 29 -3. 910 17 .573 3 .379 1 .00 0 .00 0 ATOMO 385 CB GLU A 29 -5. 407 15 .026 4 .658 1 .00 0 .00 c ATOMO 386 CG GLU A 29 -6. 273 13 .780 4 .563 1 .00 0 .00 c ATOMO 387 CD GLU A 29 -7. 686 14 .086 4 .108 1 .00 0 .00 c ATOMO 388 OE1 GLU A 29 -8. 135 13 .475 3 .115 1 .00 0 .00 0 ATOMO 389 OE2 GLU A 29 -8. 345 14 .936 4 .743 1 .00 0 .00 0 ATOMO 390 H GLU A 29 -3. 835 13 .279 3 .739 1 .00 0 .00 H ATOMO 391 HA GLU A 29 -5. 150 15 .479 2 .584 1 .00 0 .00 H ATOMO 392 1HB GLU A 29 -4. 778 14 .935 5 .531 1 .00 0 .00 H ATOMO 393 2HB GLU A 29 -6. 056 15 .878 4 .781 1 .00 0 .00 H ATOMO 394 1HG GLU A 29 -5. 824 13 .097 3 .858 1 .00 0 .00 H ATOMO 395 2HG GLU A 29 -6. 317 13 .313 5 .537 1 .00 0 .00 H ATOMO 396 N ASN A 30 -2. 405 16 .128 4 .223 1 .00 0 .00 N ATOMO 397 CA ASN A 30 -1. 414 17 .158 4 .508 1 .00 0 .00 c ATOMO 398 c ASN A 30 -0. 754 17 .651 3 .224 1 .00 0 .00 c ATOMO 399 0 ASN A 30 -0. 329 18 .803 3 .137 1 .00 0 .00 0 ATOMO 400 CB ASN A 30 -0. 350 16 .621 5 .468 1 .00 0 .00 c ATOMO 401 CG ASN A 30 -0. 894 16 .389 6 .863 1 .00 0 .00 c ATOMO 402 OD1 ASN A 30 -1. 300 15 .280 7 .207 1 .00 0 .00 0 ATOMO 403 ND2 ASN A 30 -0. 904 17 .440 7 .676 1 .00 0 .00 N ATOMO 404 H ASN A 30 -2. 200 15 .194 4 .440 1 .00 0 .00 H ATOMO 405 HA ASN A 30 -1. 922 .17 .987 4 .978 1 .00 0 .00 H ATOMO 406 1HB ASN A 30 0. 027 15 .683 5 .089 1 .00 0 .00 H ATOMO 407 2HB ASN A 30 0. 462 17 .332 5 .529 1 .00 0 .00 H ATOMO 408 1HD2 ASN A 30 -0. 566 18 .293 7 .333 1 .00 p .00 H ATOMO 409 2HD2 ASN A 30 -1. 251 17 .319 8 .585 1 .00 0 .00 H ATOMO 410 N GLY A 31 -0. 671 16 .774 2 .230 1 .00 0 .00 N ATOMO 411 CA GLY A 31 -0. 061 17 .142 0 .965 1 .00 0 .00 c ATOMO 412 C GLY A 31 1. 332 16 .563 0 .779 1 .00 0 .00 c ATOMO 413 O GLY A 31 2. 052 16 .956 -0 .139 1 .00 0 .00 0 ATOMO 414 H GLY A 31 -1. 026 15 .866 2 .354 1 .00 0 .00 H ATOMO 415 1HA GLY A 31 -0. 692 16 .792 0 .161 1 .00 0 .00 H ATOMO 416 2HA GLY A 31 0. 000 18 .220 0 .911 1 .00 0 .00 H ATOMO 417 N HIS A 32 1. 719 15 .626 1 .645 1 .00 0 .00 N ATOMO 418 CA HIS A 32 3. 032 15 .000 1 .554 1 .00 0 .00 c ATOMO 419 C HIS A 32 2.947 13.690 0.778 1.00 0.00 c ATOMO 420 0 HIS A 32 1 .886 13 .069 0 . 09 1 .00 0. 00 o ATOMO 421 CB HIS A 32 3 .598 14 .746 2 .952 1 .00 0. 00 c ATOMO 422 CG HIS A 32 4 .966 14 .137 2 .944 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 5 .189 12 .784 3 .095 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .188 14 .704 2 .801 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 6 .487 12 .546 3 .045 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .115 13 .694 2 .866 1 .00 0. ,00 N ATOMO 427 H HIS A 32 1 .107 15 .345 2 .356 1 .00 0. 00 H ATOMO 428 HA HIS A 32 3 .687 15 .677 1 .026 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3 .655 15 .682 3 .486 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 2 .938 14 .075 3 .483 1 .00 0. 00 H ATOMO 431 HD1 HIS A 32 4 .498 12 .101 3 .221 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6 .394 15 .756 2 .660 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 6 .956 11 .577 3 .133 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 8 .087 13 .814 2 .881 1 .00 0. 00 H ATOMO 435 N THR A 33 4 .065 13 .274 0 .194 1 .00 0. 00 N ATOMO 436 CA THR A 33 .101 12 .037 -0 .575 1 .00 0. 00 c ATOMO 437 C THR A 33 3 .916 10 .826 0 .331 1 .00 0. 00 c ATOMO 438 0 THR A 33 4 .502 10 .748 1 .410 1.00 0. 00 0 ATOMO 439 CB THR A 33 5 .418 11 .913 -1 .341 1 .00 0. 00 c ATOMO 440 OG1 THR A 33 5 .651 13 .066 -2 .131 1 .00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .457 10 .710 -2 .260 1 .00 0. 00 c ATOMO 442 H THR A 33 4 .881 13 .809 0 .280 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .286 12 .066 -1 .284 1 .00 0. 00 H ATOMO 444 HB THR A 33 6 .228 11 .816 -0 .633 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 6 .556 13 .059 -2 .450 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .482 10 .482 -2 .515 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .903 10 .927 -3 .161 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 5 .013 9 .861 -1 .762 1 .00 0. 00 H ATOMO 449 N VAL A 34 3 .098 9 .884 -0 .120 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .830 8 .672 0 .640 1 .00 0. 00 c ATOMO 451 C VAL A 34 2 .667 7 .477 -0 .288 1 .00 0. 00 c ATOMO 452 0 VAL A 34 2 .665 7 .622 -1 .509 1 .00 0. 00 0 ATOMO 453 CB VAL A 34 1 .563 8 .817 1 .503 1 .00 0. 00 c ATOMO 454 CG1 VAL A 34 1 .834 9 .709 2 .705 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0 .410 9 .363 0 .675 1 .00 0. 00 c ATOMO 456 H VAL A 34 2 .664 10 .006 -0 .991 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3 .670 8 .492 1 .296 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1 .285 7 .838 1 .866 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2 .234 10 .654 2 .368 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2 .548 9 .228 3 .356 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 0 .913 9 .879 3 .242 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0 .755 10 .199 0 .085 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0 .382 9 .690 1 .331 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0, .039 8 .589 0 .019 1 .00 0. 00 H ATOMO 465 N TYR A 35 2 .534 6 .298 0 .298 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2 .368 5 .073 -0 .474 1 .00 0. 00 c ATOMO 467 C TYR A 35 1 .009 4 .444 -0 .191 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0, .667 4 .186 0, .962 1 .00 0. 00 0 ATOMO 469 CB TYR A 35 3, .485 4 .084 -0, .138 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4, .787 4, .375 -0, .849 1, .00 0. 00 c ATOMO 471 CD1 TYR A 35 5, .402 5 .615 -0, .733 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5. .402 3, .409 -1. .636 1, .00 0. 00 c ATOMO 473 CE1 TYR A 35 6, .592 5 .885 -1, .382 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6. .592 3, .671 -2. .288 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7 , .183 4 .910 -2, .157 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8.368 5.175 -2.805 1.00 0.00 0 ATOMO 477 H TYR A 35 2 .547 6.250 1 .277 1. 00 0. 00 H ATOMO 478 HA TYR A 35 2 .425 5.327 -1 .522 1. 00 0. 00 H ATOMO 479 1HB TYR A 35 3 .672 4.113 0.926 1. 00 0. 00 H ATOMO 480 2HB TYR A 35 3 .169 3.090 -0 .413 1. 00 0. 00 H ATOMO 481 HDl TYR A 35 4 .937 6.376 -0 .124 1. 00 0. 00 H ATOMO 482 HD2 TYR A 35 4 .937 2.441 -1 .737 1. 00 0. 00 H ATOMO 483 HEl TYR A 35 7 .055 6.855 -1 .279 1. 00 0. 00 H ATOMO 484 HE2 TYR A 35 7 .054 2.908 -2 .896 1. 00 0. 00 H ATOMO 485 HH TYR A 35 9 .033 5.429 -2 .163 1. 00 0. 00 H ATOMO 486 N TYR A 36 0 .227 4.209 -1 .245 1. 00 0. 00 N ATOMO 487 CA TYR A 36 -1 .100 3.622 -1 .086 1. 00 0. 00 C ATOMO 488 C TYR A 36 -1 .296 2.413 -1 .997 1. 00 0. 00 C ATOMO 489 0 TYR A 36 -0 .546 2.206 -2 .949 1. 00 0. 00 o ATOMO 490 CB TYR A 36 -2 .177 4.672 -1 .371 1. 00 0. 00 C ATOMO 491 CG TYR A 36 -2 .705 5.351 -0 .126 1. 00 0. 00 c ATOMO 492 CDl TYR A 36 -1 .848 6.010 0 .745 1. 00 0. 00 c ATOMO 493 CD2 TYR A 36 -4 .061 5.331 0 .177 1. 00 0. 00 c ATOMO 494 CEl TYR A 36 -2 .327 6.631 1 .884 1. 00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .547 5.950 1 .313 1. 00 0. 00 c ATOMO 496 CZ TYR A 36 -3 .677 6.597 2 .162 1. 00 0. 00 c ATOMO 497 OH TYR A 36 -4 .156 7.214 3 .295 1. 00 0. 00 o ATOMO 498 H TYR A 36 0 .545 4.445 -2 .144 1. 00 0. 00 H ATOMO 499 HA TYR A 36 -1 .196 3.298 -0 .062 1. 00 0. 00 H ATOMO 500 1HB TYR A 36 -1 .765 5.435 -2 .013 1. 00 0. 00 H ATOMO 501 2HB TYR A 36 -3 .011 4.201 -1 .871 1. 00 0. 00 H ATOMO 502 HDl TYR A 36 -0 .791 6.035 0 .524 1. 00 0. 00 H ATOMO 503 HD2 TYR A 36 -4 .741 4.823 -0 .491 1. 00 0. 00 H ATOMO 504 HEl TYR A 36 -1 .644 7.138 2 .549 1. 00 0. 00 H ATOMO 505 HE2 TYR A 36 -5 .604 5.923 1 .531 1. 00 0. 00 H ATOMO 506 HH TYR A 36 -3 .715 8.059 3 .412 1. 00 0. 00 H ATOMO 507 N CYS A 37 -2 .318 1.621 -1 .687 1. 00 0. 00 N ATOMO 508 CA CYS A 37 -2 .635 0.423 -2 .466 1. 00 0. 00 c ATOMO 509 C CYS A 37 -3 .795 0.687 -3 .419 1. 00 0. 00 c ATOMO 510 O CYS A 37 -4 .811 1.267 -3 .033 1. 00 0. 00 o ATOMO 511 CB CYS A 37 -2 .989 -0.740 -1 .536 1. 00 0. 00 c ATOMO 512 SG CYS A 37 -1 .541 -1.573 -0. .814 1. 00 0. 00 s ATOMO 513 H CYS A 37 -2 .870 1.846 -0, .908 1. 00 0. 00 H ATOMO 514 HA CYS A 37 -1 .764 0.157 -3 .044 1. 00 0. 00 H ATOMO 515 1HB CYS A 37 -3 .600 -0.374 -0 .724 1. 00 0. 00 H ATOMO 516 2HB CYS A 37 -3 .548 -1.478 -2. .087 1. 00 0. 00 H ATOMO 517 N ARG A 38 -3 .634 0.260 -4, .667 1. 00 0. 00 N ATOMO 518 CA ARG A 38 -4 .662 0.451 -5, .681 1. 00 0. 00 c ATOMO 519 C ARG A 38 -4 .959 -0.856 -6 .405 1. 00 0. 00 c ATOMO 520 O ARG A 38 -4 .054 -1.513 -6. .920 1. 00 0. 00 o ATOMO 521 CB ARG A 38 -4 .225 1.517 -6, .687 1. 00 0. 00 c ATOMO 522 CG ARG A 38 -3 .915 2.861 -6, .051 1. 00 0. 00 c ATOMO 523 CD ARG A 38 -5 .175 3.530 -5, .526 1. 00 0. 00 c ATOMO 524 NE ARG A 38 -5 .085 4.988 -5, .590 1. 00 0. 00 N ATOMO 525 CZ ARG A 38 -6 .010 5.815 -5, .101 1. 00 0. 00 c ATOMO 526 NH1 ARG A 38 -7 .100 5.340 -4, .508 1. 00 0. 00 N ATOMO 527 NH2 ARG A 38 -5 .841 7.128 -5, .204 1. 00 0. 00 N ATOMO 528 H ARG A 38 -2 .801 -0.193 -4. .913 1. 00 0. 00 H ATOMO 529 HA ARG A 38 -5 .561 0.785 -5, .183 1. 00 0. 00 H ATOMO 530 1HB ARG A 38 -3 .338 1.171 -7. .198 1. 00 0. 00 H ATOMO 531 2HB ARG A 38 -5 .015 1.658 -7 , .410 1. 00 0. 00 H ATOMO 532 1HG ARG A 38 -3 .230 2.711 -5. .231 1. 00 0. 00 H ATOMO 533 2HG ARG A 38 -3.459 3.502 -6..792 1.00 0.00 H ATOMO 534 1HD ARG A 38 -6 .015 3 .203 -6. .121 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .324 3 .231 -4. .499 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4 .294 5 .373 -6. .020 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .235 4 .353 -4. .425 1 .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -7 .786 5 .970 -4. ,145 1 .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5 .024 7 .493 -5. .648 1 .00 0 .00 H ATOMO 540 2HH2 ARG A 38 -6 .533 7 .750 -4. .837 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6 .232 -1 .227 -6. .437 1 .00 0 .00 N ATOMO 542 CA ALA A 39 -6 .654 -2 .456 -7. .096 1 .00 0 .00 c ATOMO 543 C ALA A 39 -6 .515 -2 .341 -8, ,610 1 .00 0 .00 c ATOMO 544 0 ALA A 39 -5 .528 -2 .879 -9. ,156 1 .00 0 .00 0 ATOMO 545 CB ALA A 39 -8 .090 -2 .791 -6, .719 1 .00 0 .00 c ATOMO 546 OXT ALA A 39 -7 .395 -1 .715 -9. .240 1 .00 0 .00 0 ATOMO 547 H ALA A 39 -6 .903 -0 .658 -6. .006 1 .00 0 .00 H ATOMO 54B HA ALA A 39 -6 .019 -3 .255 -6. .746 1 .00 0 .00 H ATOMO 549 1HB ALA A 39 -8 .092 -3 .469 -5. ,879 1 .00 0 .00 H ATOMO 550 2HB ALA A 39 -8 .584 -3 .257 -7. ,560 1 .00 0 .00 H ATOMO 551 3HB ALA A 39 -8 .613 -1 .885 -6. ,452 1 .00 0 .00 H TER 552 ALA A 39 END DL MODELO 19 ATOMO 1 N GLY A 1 -3 .261 -15 .485 4. .845 1 .00 0 .00 N ATOMO 2 CA GLY A 1 -2 .891 -14 .447 3. ,845 1 .00 0 .00 c ATOMO 3 C GLY A 1 -2 .558 -13 .114 4. .488 1 .00 0 .00 c ATOMO 4 o GLY A 1 -3 .323 -12 .602 5. ,303 1 .00 0 .00 o ATOMO 5 1H GLY A 1 -3 .878 -15 .075 5. ,575 1 .00 0 .00 H ATOMO 6 2H GLY A 1 -2 .406 -15 .863 5. ,302 1 .00 0 .00 H ATOMO 7 3H GLY A 1 -3 .766 -16 .267 4. 379 1 .00 0 .00 H ATOMO e 1HA GLY A 1 -2 .033 -14 .789 3. ,287 1 .00 0 .00 H ATOMO 9 2HA GLY A 1 -3 .718 -14 .307 3. 164 1 .00 0 .00 H ATOMO 10 N SER A 2 -1 .410 -12 .553 4. 120 1 .00 0 .00 N ATOMO 11 CA SER A 2 -0 .974 -11 .273 4. 665 1 .00 0 .00 c ATOMO 12 C SER A 2 -0 .705 -10 .271 3. 548 1 .00 0 .00 c ATOMO 13 O SER A 2 0 .278 -10 .390 2. 816 1 .00 0 .00 o ATOMO 14 CB SER A 2 0 .285 -11 .459 5. 514 1 .00 0 .00 c ATOMO 15 OG SER A 2 1 .205 -12 .331 4. 879 1 .00 0 .00 o ATOMO 16 H SER A 2 -0 .843 -13 .012 3. 465 1 .00 0 .00 H ATOMO 17 HA SER A 2 -1 .766 -10 .891 5. 292 1 .00 0 .00 H ATOMO 18 1HB SER A 2 0 .761 -10 .502 5. 663 1 .00 0 .00 H ATOMO 19 2HB SER A 2 0 .012 -11 .879 6. 471 1 .00 0, .00 H ATOMO 20 HG SER A 2 1 .476 -13 .015 5. 495 1 .00 0. .00 H ATOMO 21 N CYS A 3 -1 .584 -9 .282 3. 423 1 .00 o, .00 N ATOMO 22 CA CYS A 3 -1 .444 -8 .257 2. 398 1 .00 0, .00 c ATOMO 23 C CYS A 3 -2 .092 -6 .953 2. 846 1 .00 0, .00 c ATOMO 24 o CYS A 3 -2 .824 -6 .919 3. 836 1 .00 0. .00 0 ATOMO 25 CB CYS A 3 -2 .070 -8 .728 1. 081 1 .00 0, ,00 c ATOMO 26 SG CYS A 3 -3 .842 -9 .142 1. 197 1 .00 0. .00 s ATOMO 27 H CYS A 3 -2 .345 -9 .238 4. 038 1 .00 0, .00 H ATOMO 28 HA CYS A 3 -0 .388 -8 .085 2. 243 1 .00 0, .00 H ATOMO 29 1HB CYS A 3 -1, .965 -7 .946 0. 343 1 .00 0. .00 H ATOMO 30 2HB CYS A 3 -1. .547 -9 .609 0. 740 1 .00 0. .00 H ATOMO 31 N VAL A 4 -1, .022 -5, .885 2. 109 1 .00 0. .00 N ATOMO 32 CA VAL A 4 -2. .375 -4 , .579 2. 420 1, .00 0. .00 c ATOMO 33 C VAL A 4 -3, .720 -4, .381 1. 713 1 .00 0. .00 c ATOMO 34 O VAL A 4 -3, .829 -4, .625 0. 517 1, .00 0, .00 0 ATOMO 35 CB VAL A 4 -1, .399 -3 .470 1. 990 1 .00 0. .00 c ATOMO 36 CG1 VAL A 4 -1.977 -2.089 2.261 1.00 0.00 c ATOMO 37 CG2 VAL A 4 -0 .067 -3 .647 2 .696 1 .00 0 .00 c ATOMO 38 H VAL A 4 -1 .234 -5 .975 1 .332 1 .00 0 .00 H ATOMO 39 HA VAL A 4 -2 .512 -4 .519 3 .487 1 .00 0 .00 H ATOMO 40 HB VAL A 4 -1 .231 -3 .562 0 .928 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1 .201 -1 .347 2 .162 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2 .381 -2 .059 3 .261 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 -2 .764 -1 .885 1 .549 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0 .489 -4 .443 2 .220 1 .00 0 .00 H ATOMO 45 2HG2 VAL A 4 -o .241 -3 .902 3 .732 1 .00 0 .00 H ATOMO 46 3HG2 VAL A 4 0 .497 -2 .729 2 .641 1 .00 0 .00 H ATOMO 47 N PRO A 5 -4 .768 -3 .925 2 .427 1 .00 0 .00 N ATOMO 48 CA PRO A 5 -6 .079 -3 .707 1 .817 1 .00 0 .00 C ATOMO 49 C PRO A 5 -6 .050 -2 .568 0 .803 1 .00 0 .00 C ATOMO 50 0 PRO A 5 -5 .453 -1 .513 1 .044 1 .00 0 .00 O ATOMO 51 CB PRO A 5 -6 .993 -3 .351 3 .000 1 .00 0 .00 C ATOMO 52 CG PRO A 5 -6 .218 -3 .700 4 .227 1 .00 0 .00 C ATOMO 53 CD PRO A 5 -4 .769 -3 .580 3 .858 1 .00 0 .00 c ATOMO 54 HA PRO A 5 -6 .442 -4 .606 1 .334 1 .00 0 .00 H ATOMO 55 1HB PRO A 5 -7 .229 -2 .298 2 .970 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 -7 .904 -3 .927 2 .936 1 .00 0 .00 H ATOMO 57 1HG PRO A 5 -6 .460 -3 .008 5 .022 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 -6 .445 -4 .711 4 .528 1 .00 0 .00 H ATOMO 59 1HD PRO A 5 -4 .419 -2 .569 4 .013 1 .00 0 .00 H ATOMO 60 2HD PRO A 5 -4 .176 -4 .278 4 .426 1 .00 0 .00 H ATOMO 61 N VAL A 6 -6 .708 -2 .775 -0 .333 1 .00 0 .00 N ATOMO 62 CA VAL A 6 -6 .759 -1 .764 -1 .371 1 .00 0 .00 C ATOMO 63 C VAL A 6 -7 .364 -0 .485 -0 .821 1 .00 0 .00 C ATOMO 64 0 VAL A 6 -8 .169 -0 .518 0 .109 1 .00 0 .00 O ATOMO 65 CB VAL A 6 -7 .558 -2 .258 -2 .592 1 .00 0 .00 C ATOMO 66 CG1 VAL A 6 -7 .650 -1 .183 -3 .664 1 .00 0 .00 C ATOMO 67 CG2 VAL A 6 -6 .911 -3 .510 -3 .151 1 .00 0 .00 C ATOMO 68 H VAL A 6 -7 .176 -3 .620 -0 .472 1 .00 0 .00 H ATOMO 69 HA VAL A 6 -5 .745 -1 .562 -1 .687 1 .00 0 .00 H ATOMO 70 HB VAL A 6 -8 .557 -2 .505 -2 .271 1 .00 0 .00 H ATOMO 71 1HG1 VAL A 6 -8 .428 -0 .482 -3 .403 1 .00 0 .00 H ATOMO 72 2HG1 VAL A 6 -7. .882, -1 .643 -4 .613 1 .00 0, .00 H ATOMO 73 3HG1 VAL A 6 -6, .705 -0 .666 -3 .734 1 .00 0, .00 H ATOMO 74 1HG2 VAL A 6 -5, .843 -3 .467 -2 .982 1 .00 0, .00 H ATOMO 75 2HG2 VAL A 6 -7. .105 -3 .573 -4 .210 1 .00 0 .00 H ATOMO 76 3HG2 VAL A 6 -7, .318 - .377 -2 .654 1 .00 0, .00 H ATOMO 77 N ASP A 7 -6, .933 0, .640 -1 .375 1, .00 0, .00 N ATOMO 78 CA ASP A 7 -7, .380 1, .945 -0 .932 1 .00 0. .00 C ATOMO 79 C ASP A 7 -6, .760 2 .299 0 .422 1, .00 0, .00 C ATOMO 80 O ASP A 7 -7. .100 3, .326 1 .008 1 .00 0. .00 O ATOMO 81 CB ASP A 7 -8. .906 2, .008 -0 .854 1 .00 0, .00 C ATOMO 82 CG ASP A 7 -9, ,571 1. .528 -2 .129 1 .00 0. ,00 C ATOMO 83 OD1 ASP A 7 -9, .014 1, .776 -3 .219 1 .00 0. ,00 O ATOMO 84 OD2 ASP A 7 -10. .649 0. .903 -2 .038 1, .00 0. .00 O ATOMO 85 H ASP A 7 -6. .271 0, .591 -2 .081 1, .00 0. .00 H ATOMO 86 HA ASP A 7 -7. ,041 2. ,666 -1, .661 1. .00 0. ,00 H ATOMO 87 1HB ASP A 7 -9. .246 1, ,389 -0, .038 1, .00 0. ,00 H ATOMO 88 2HB ASP A 7 -9. .202 3. .026 -0, .678 1, .00 0. .00 H ATOMO 89 N GLN A 8 -5. .833 1. ,460 0, .918 1, .00 0. ,00 N ATOMO 90 CA GLN A 8 -5. ,181 1. ,728 2, .187 1, .00 0. ,00 C ATOMO 91 C GLN A 8 -3. ,689 1. .979 1. .977 1. .00 0. ,00 C ATOMO 92 o GLN A 8 -3. ,114 1. .525 0, .988 1, .00 0. .00 o ATOMO 93 CB GLN A 8 -5.388 0.570 3.162 1.00 0.00 C ATOMO 94 CG GLN A 8 -6. 839 0. 144 3 .299 1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7. 744 1. 282 3 .725 1 .00 0. 00 c ATOMO 96 OEl GLN A 8 -8. 409 1. 906. 2 .897 1 .00 0. 00 0 ATOMO 97 NE2 GLN A 8 -7. 773 1. 560 5 .024 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5. 575 0. 653 0 .418 1 .00 0. 00 H ATOMO 99 HA GLN A 8 -5. 626 2. 619 2 .598 1 .00 0. 00 H ATOMO 100 1HB GLN A 8 -4. 814 -0. 279 2 .820 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -5. 029 0. 866 4 .137 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7. 182 -0. 231 2 .346 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -6. 901 -0. 642 4 .037 1 .00 0. 00 H ATOMO 104 1HE2 GLN A 8 -7. 217 1. 023 5 .625 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8. 351 2. 291 5 .327 1 .00 0. 00 H ATOMO 106 N PRO A 9 -3. 039 2. 719 2 .895 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1. 614 3. 028 2 .775 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0. 721 1. 802 2 .885 1 .00 0. 00 c ATOMO 109 0 PRO A 9 -0. 967 0. 901 3 .688 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1. 342 3. 983 3 .936 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2. 449 3. 749 4 .908 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3. 640 3. 322 4 .100 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1. 404 3. 532 1 .846 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 379 3. 758 4 .374 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 342 4. 996 3 .569 1 .00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 169 2. 970 5 .600 1 .00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 669 4. 661 5 .440 1 .00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 222 2. 596 4 .645 1 .00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 248 4. 175 3 .840 1 .00 0. 00 H ATOMO 120 N CYS A 10 0. 327 1. 793 2 .075 1 .00 0. 00 N ATOMO 121 CA CYS A 10 1. 289 0. 700 2 .068 1 .00 0. 00 c ATOMO 122 C CYS A 10 2. 713 1. 238 2 .143 1 .00 0. 00 c ATOMO 123 0 CYS A 10 2. 929 2. 447 2 .232 1 .00 0. 00 0 ATOMO 124 CB CYS A 10 1. 124 -0. 153 0 .810 1 .00 0. 00 c ATOMO 125 SG CYS A 10 1. 009 0. 808 -0 .733 1 .00 0. 00 s ATOMO 126 H CYS A 10 0. 461 2. 551 1 .471 1 .00 0. 00 H ATOMO 127 HA CYS A 10 1. 102 0. 087 2 .936 1 .00 0. 00 H ATOMO 128 1HB CYS A 10 1. 969 -0. 817 0 .719 1 .00 0. 00 H ATOMO 129 2HB CYS A 10 0. 223 -0. 739 0 .902 1 .00 0. 00 H ATOMO 130 N SER A 11 3. 679 0. 331 2 .106 1 .00 0. 00 N ATOMO 131 CA SER A 11 5. 085 0. 705 2 .169 1 .00 0. 00 c ATOMO 132 C SER A 11 5. 919 -0. 165 1 .234 1 .00 0. 00 c ATOMO 133 0 SER A 11 5. 498 -1. 253 0 .840 1 .00 0. 00 o ATOMO 134 CB SER A 11 5. 603 0. 579 3 .602 1 .00 0. 00 c ATOMO 135 OG SER A 11 4. 538 0. 634 4 .535 1 .00 0. 00 o ATOMO 136 H SER A 11 3. 437 -0. 612 2 .035 1 .00 0. 00 H ATOMO 137 HA SER A 11 5. 168 1. 735 1 .855 1 .00 0. 00 H ATOMO 138 1HB SER A 11 6. 115 -0. 365 3 .717 1 .00 0. 00 H ATOMO 139 2HB SER A 11 6. 287 1. 388 3 .807 1 .00 0. 00 H ATOMO 140 HG SER A 11 4. 262 1. 546 4 .655 1 .00 0. 00 H ATOMO 141 N LEU A 12 7. 106 0. 321 0 .882 1 .00 0. 00 N ATOMO 142 CA LEO A 12 7. 998 -0. 416 -0 .009 1 .00 0. 00 c ATOMO 143 C LEU A 12 8. 729 -1. 544 0 .726 1 .00 0. 00 c ATOMO 144 0 LEU A 12 9. 297 -2. 432 0 .093 1 .00 0. 00 o ATOMO 145 CB LEU A 12 9. 014 0. 528 -0 .665 1 .00 0. 00 c ATOMO 146 CG LEU A 12 9. 624 1. 592 0 .252 1 .00 0. 00 c ATOMO 147 CDl LEO A 12 10. 181 0. 957 1 .517 1 .00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 711 2. 356 -0 .481 1 .00 0. 00 c ATOMO 149 H LEU A 12 7. 385 1. 192 1 .228 1 .00 0. 00 H ATOMO 150 HA LEU A 12 7.388 -0.855 -0.784 1.00 0.00 ATOMO 151 1HB LEU A 12 9 .817 -0. 071 -1 .068 1 .00 0. 00 ATOMO 152 2HB LEU A 12 8 .522 1. 033 -1 .484 1 .00 0. 00 ATOMO 153 HG LEU A 12 8 .857 2. 294 0 .541 1.00 0. 00 ATOMO 154 1HD1 LEU A 12 10 .940 1. 599 1 .937 1 .00 0. 00 ATOMO 155 2HD1 LEU A 12 10 .614 -0. 003 1 .277 1 .00 0. 00 ATOMO 156 3HD1 LEU A 12 9 .385 0. 823 2 .233 1 .00 0. 00 ATOMO 157 1HD2 LEU A 12 10 .278 2. 877 -1 .323 1 .00 0. 00 ATOMO 158 2HD2 LEU A 12 11 .465 1. 669 -0 .830 1 .00 0. 00 ATOMO 159 3HD2 LEU A 12 11 .160 3. 074 0 .191 1 .00 0. 00 ATOMO 160 N ASN A 13 8 .714 -1. 509 2 .060 1 .00 0. 00 ATOMO 161 CA ASN A 13 9 .380 -2. 536 2 .855 1 .00 0. 00 ATOMO 162 C ASN A 13 8 .373 -3. 447 3 .562 1 .00 0. 00 ATOMO 163 0 ASN A 13 8 .752 -4. 240 4 .424 1 .00 0. 00 ATOMO 164 CB ASN A 13 10 .301 -1. 887 3 .891 1 .00 0. 00 ATOMO 165 CG AS A 13 11 .509 -1. 224 3 .258 1 .00 0. 00 ATOMO 166 OD1 ASN A 13 11 .787 -0. 050 3 .504 1 .00 0. 00 ATOMO 167 ND2 ASN A 13 12 .234 -1. 974 2 .436 1 .00 0. 00 ATOMO 168 K ASN A 13 8 .250 -0. 784 2 .520 1 .00 o. 00 ATOMO 169 HA ASN A 13 9 ,976 -3. 134 2 .185 1 .00 0. 00 ATOMO 170 1HB ASN A 13 9 .749 -1. 138 4 .437 1 .00 0. 00 ATOMO 171 2HB AS A 13 10 .649 -2. 644 4 .578 1 .00 0. 00 ATOMO 172 1HD2 ASN A 13 11 .954 -2. 900 2 .286 1 .00 0. 00 ATOMO 173 2HD2 ASN A 13 13 .019 -1. 569 2 .012 1 .00 0. 00 ATOMO 174 N THR A 14 7 .092 -3. 338 3 .204 1 .00 0. 00 ATOMO 175 CA THR A 14 6 .060 -4. 161 3 .822 1 .00 0. 00 ATOMO 176 C THR A 14 5 .488 -5. 162 2 .823 1 .00 0. 00 ATOMO 177 O THR A 14 5 .957 -5. 263 1 .689 1 .00 0. 00 ATOMO 178 CB THR A 14 4 .939 -3. 278 4 .374 1 .00 0. 00 ATOMO 179 OG1 THR A 14 4 .273 -2. 598 3 .324 1 .00 0. 00 ATOMO 180 CG2 THR A 14 5 .426 -2. 239 5 .358 1 .00 0. 00 ATOMO 181 H THR A 14 6 .835 -2. 695 2 .515 1 .00 0. 00 ATOMO 182 HA THR A 14 6 .511 -4. 703 4 .638 1 .00 0. 00 ATOMO 183 HB THR A 14 4 .219 -3. 904 4 .883 1 .00 0. 00 ATOMO 184 HG1 THR A 14 4 .886 -2. 001 2 .889 1 .00 0. 00 ATOMO 185 1HG2 THR A 14 4 .720 -1. 424 5 .401 1 .00 0. 00 ATOMO 186 2HG2 THR A 14 6 .389 -1. 865 5 .040 1 .00 0. 00 ATOMO 187 3HG2 THR A 14 5 .520 -2. 686 6 .338 1 .00 0. 00 ATOMO 188 N GLN A 15 4 .472 -5. 898 3 .256 1 .00 0. 00 ATOMO 189 CA GLN A 15 3 .829 -6. 895 2 .410 1 .00 0. 00 ATOMO 190 C GLN A 15 3 .080 -6. 230 1 .253 1 .00 0. 00 ATOMO 191 0 GLN A 15 2 .689 -5. 066 1 .351 1 .00 0. 00 ATOMO 192 CB GLN A 15 2 .862 -7. 737 3 .242 1 .00 0. 00 ATOMO 193 CG GLN A 15 3 .461 -8. 245 4 .543 1.00 0. 00 ATOMO 194 CD GLN A 15 2 .983 -9. 639 4 .898 1 .00 0. 00 ATOMO 195 OE1 GLN A 15 2 .593 -10. 415 4 .025 1 .00 0. 00 ATOMO 196 NE2 GLN A 15 3 .011 -9. 965 6 .185 1 .00 0. 00 ATOMO 197 H GLN A 15 4 .144 -5. 770 4 .169 1 .00 0. 00 ATOMO 198 HA GLN A 15 4 .598 -7. 536 2 .007 1 .00 0. 00 ATOMO 199 1HB GLN A 15 1 .994 -7. 141 3 .480 1 .00 0. 00 ATOMO 200 2HB GLN A 15 2 .552 -8. 588 2 .659 1 .00 0. 00 ATOMO 201 1HG GLN A 15 4 .537 -8. 264 4 .445 1 .00 0. 00 ATOMO 202 2HG GLN A 15 3 .184 -7. 571 5 .340 1 .00 0. 00 ATOMO 203 1HE2 GLN A 15 3 .334 -9. 295 6 .824 1 .00 0. 00 ATOMO 204 2HE2 GLN A 15 2 .707 -10. 860 6 .443 1 .00 0. 00 ATOMO 205 N PRO A 16 2 .861 -6. 958 0 .137 1 .00 0. 00 ATOMO 206 CA PRO A 16 2 .152 -6. 414 -1 .025 1 .00 0. 00 ATOMO 207 C PRO A 16 0.703 -6.070 -0.701 1.00 0.00 c ATOMO 208 0 PRO A 16 0. 266 -6. 202 0.442 1 .00 0. 00 o ATOMO 209 CB PRO A 16 2. 216 -7. 545 -2.057 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2. 454 -8. 781 -1.261 1 .00 0. 00 c ATOMO 211 CD PRO A 16 3. 282 -8. 357 0.082 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2. 647 -5. 538 1.416 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1. 281 -7. 597 2.597 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 3. 025 -7. 360 2.747 1 .00 0. 00 H ATOMO 215 1HG RO A 16 1. 511 -9. 192 0.929 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 2. 992 -9. 504 1.856 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 3. 054 -8. 968 0.778 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4. 333 -8. 411 0.319 1 .00 0. 00 H ATOMO 219 N CYS A 17 0. 038 -5. 626 1.710 1 .00 0. 00 N ATOMO 220 CA CYS A 17 1. 436 -5. 261 1.523 1 .00 0. 00 C ATOMO 221 C CYS A 17 2. 348 -6. 469 1.711 1 .00 0. 00 C ATOMO 222 0 CYS A 17 1. 893 -7. 566 2.035 1 .00 0. 00 0 ATOMO 223 CB CYS A 17 1. 834 -4. 148 2.493 1 .00 0. 00 C ATOMO 224 SG CYS A 17 0. 785 -2. 662 2.394 1 .00 0. 00 S ATOMO 225 H CYS A 17 0. 365 -5. 539 2.599 1 .00 0. 00 H ATOMO 226 HA CYS A 17 1. 550 -4. 899 0.513 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 1. 779 -4. 521 3.504 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 2. 849 -3. 846 2.280 1 .00 0. 00 H ATOMO 229 N CYS A 18 3. 636 -6. 250 -1.495 1 .00 0. 00 N ATOMO 230 CA CYS A 18 4. 636 -7. 301 -1.624 1 .00 0. 00 C ATOMO 231 C CYS A 18 5. 419 -7. 144 -2.923 1 .00 0. 00 C ATOMO 232 o CYS A 18 5. 349 -6. 106 -3.580 1 .00 0. 00 O ATOMO 233 CB CYS A 18 5. 594 -7. 262 -0.432 1 .00 0. 00 C ATOMO 234 SG CYS A 18 4. 769 -7. 335 1.192 1 .00 0. 00 S ATOMO 235 H CYS A 18 3. 924 -5. 351 -1.234 1 .00 0. 00 H ATOMO 236 HA CYS A 18 4. 124 -8. 251 1.636 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 6. 160 -6. 344 0.467 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 6. 273 -8. 097 0.494 1 .00 0. 00 H ATOMO 239 N ASP A 19 6. 165 -8. 181 3.289 1 .00 0. 00 N ATOMO 240 CA ASP A 19 6. 964 -8. 159 4.513 1 .00 0. 00 C ATOMO 241 C ASP A 19 6. 098 -7. 830 5.728 1 .00 0. 00 C ATOMO 242 O ASP A 19 6. 569 -7. 232 6.696 1 .00 0. 00 O ATOMO 243 CB ASP A 19 8, 096 -7. 138 4.388 1 .00 0. 00 C ATOMO 2 CG ASP A 19 9. 266 -7. 668 3.583 1 .00 0. 00 C ATOMO 245 ODl ASP A 19 9. 743 -6. 946 2.681 1 .00 0. 00 O ATOMO 246 OD2 ASP A 19 9. 706 -8. 805 3.853 1 .00 0. 00 O ATOMO 247 H ASP A 19 6. 178 -8. 979 2.724 1 .00 0. 00 H ATOMO 248 HA ASP A 19 7. 391 -9. 141 4.647 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 7. 721 -6. 251 3.901 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 8. 450 -6. 880 5.376 1 .00 0. 00 H ATOMO 251 N ASP A' 20 4. 830 -8. 224 5.666 1 .00 0. 00 N ATOMO 252 CA ASP A 20 3. 890 -7. 974 6.753 1 .00 0. 00 C ATOMO 253 C ASP A 20 3. 649 -6. 479 6.936 1 .00 0. 00 C ATOMO 254 O ASP A 20 3. 485 -5. 998 8.057 1 .00 0. 00 O ATOMO 255 CB ASP A 20 4. 401 -8. 585 8.061 1 .00 0. 00 C ATOMO 256 CG ASP A 20 3. 284 -9. 180 8.896 1 .00 0. 00 C ATOMO 257 ODl ASP A 20 3. 340 -10. 394 9.185 1 .00 0. 00 O ATOMO 258 OD2 ASP A 20 2. 353 -8. 432 9.262 1 .00 0. 00 O ATOMO 259 H ASP A 20 4. 516 -8. 695 4.867 1 .00 0. 00 H ATOMO 260 HA ASP A 20 2. 954 -8. 442 6.491 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 5. 109 -9. 367 7.834 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 4. 891 -7. 819 8.643 1 .00 0. 00 H ATOMO 263 N ALA A 21 3. 620 -5. 751 5.824 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3.389 -4.311 -5.863 1.00 0.00 c ATOMO 265 C ALA A 21 -1 .903 -4 .005 -6 .003 1 .00 0 .00 C ATOMO 266 0 ALA A 21 -1 .070 -4 .911 -6 .005 1 .00 0 .00 0 ATOMO 267 CB ALA A 21 -3 .946 -3.645 -4 .612 1 .00 0 .00 C ATOMO 26B H ALA A 21 -3 .751 -6 .193 -4 .959 1 .00 0 .00 H ATOMO 269 HA ALA A 21 -3 .911 -3 .912 -6 .721 1 .00 0 .00 H ATOMO 270 1HB ALA A 21 -3 .982 -4 .361 -3 .808 1 .00 0 .00 H ATOMO 271 2HB ALA A 21 -4 .942 -3 .277 -4 .812 1 .00 0 .00 H ATOMO 272 3HB ALA A 21 -3 .310 -2 .818 -4 .329 1 .00 0 .00 H ATOMO 273 N THR A 22 -1 .580 -2 .724 -6 .115 1 .00 0 .00 N ATOMO 274 CA THR A 22 -0 .197 -2 .296 -6 .252 1 .00 0 .00 c ATOMO 275 C THR A 22 0 .069 -1 .057 -5 .404 1 .00 0 .00 c ATOMO 276 0 THR A 22 -0 .766 -0 .153 -5 .329 1 .00 0 .00 0 ATOMO 277 CB THR A 22 0 .123 -2 .006 -7 .718 1 .00 0 .00 c ATOMO 278 OG1 THR A 22 -0 .111 -3 .152 -8 .519 1 .00 0 .00 0 ATOMO 279 CG2 THR A 22 1 .553 -1 .573 -7 .946 1 .00 0 .00 c ATOMO 280 H THR A 22 -2 .287 -2 .048 -6 .106 1 .00 0 .00 H ATOMO 281 HA THR A 22 0 .437 -3 .098 -5. .905 1 .00 0 .00 H ATOMO 282 HB THR A 22 -0 .522 -1 .212 -8 .066 1 .00 0 .00 H ATOMO 283 HG1 THR A 22 -1 .053 -3 .336 -8. .548 1 .00 0 .00 H ATOMO 284 1HG2 THR A 22 1 .625 -0 .500 -7. .837 1 .00 0 .00 H ATOMO 285 2HG2 THR A 22 1 .861 -1 .856 -8, .941 1 .00 0 .00 H ATOMO 286 3HG2 THR A 22 2 .193 -2 .052 -7, .220 1 .00 0 .00 H ATOMO 287 N CYS A 23 1 .236 -1 .019 -4, .772 1 .00 0 .00 N ATOMO 288 CA CYS A 23 1 .615 0 .112 -3, .935 1 .00 0 .00 c ATOMO 289 C CYS A 23 2 .068 1 .276 -4, .816 1 .00 0 .00 c ATOMO 290 O CYS A 23 3 .092 1 .189 -5. .493 1 .00 0, .00 0 ATOMO 291 CB CYS A 23 2 .732 -0, .303 -2. .972 1 .00 0 .00 c ATOMO 292 SG CYS A 23 2 .889 0 .758 -1. .500 1 .00 0, .00 S ATOMO 293 H CYS A 23 1 .860 -1 .768 -4. .875 1 .00 0. .00 H ATOMO 294 HA CYS A 23 0 .748 0. .417 -3. .368 1 .00 0, .00 H ATOMO 295 1HB CYS A 23 2 .545 -1 .309 -2. .630 1 .00 0. .00 H ATOMO 296 2HB CYS A 23 3, .675 -0, .277 -3. ,498 1 .00 0. .00 H ATOMO 297 N THR A 24 1. .286 2 .352 -4. ,823 1, .00 0. .00 N ATOMO 298 CA THR A 24 1, .592 3, .515 -5. .643 1, .00 0. .00 c ATOMO 299 C THR A 24 1. .760 4. .778 -4. ,801 1, .00 0. .00 c ATOMO 300 O THR A 24 1. .226 4. .890 -3. .696 1, .00 0. ,00 0 ATOMO 301 CB THR A 24 0. .482 3, .724 -6. ,685 1, .00 0. ,00 c ATOMO 302 OG1 THR A 24 0. .490 2. .679 -7. 639 1, .00 0. ,00 o ATOMO 303 CG2 THR A 24 0. .586 5. .036 -7. 442 1, .00 0. ,00 c ATOMO 304 H THR A 24 0. .474 2. .358 -4. 280 1, .00 0. ,00 H ATOMO 305 HA THR A 24 2. .519 3, .320 -6. ,160 1, .00 0. ,00 H ATOMO 306 KB THR A 24 -0. .474 3. .712 -6. 180 1. ,00 0. 00 H ATOMO 307 HG1 THR A 24 -0. ,352 2. .220 -7. 620 1. .00 0. 00 H ATOMO 308 1HG2 THR A 24 0, .586 5. .856 -6. 736 1. .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. .254 5. .136 -8. 110 1. ,00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 505 5. .051 -8. 009 1. ,00 0. 00 H ATOMO 311 N GLN A 25 2. 492 5. 729 -5. 364 1. ,00 0. 00 N ATOMO 312 CA GLN A 25 2. 737 7. 009 -4. 724 1. ,00 0. 00 c ATOMO 313 C GLN A 25 1. 494 7. 892 -4. 829 1. ,00 0. 00 c ATOMO 314 O GLN A 25 0. 914 8. 039 -5. 905 1. ,00 0. 00 0 ATOMO 315 CB GLN A 25 3. 937 7. 693 -5. 388 1. ,00 0. 00 c ATOMO 316 CG GLN A 25 4. 178 9. 110 -4. 905 1. 00 0. 00 c ATOMO 317 CD GLN A 25 5. 557 9. 627 -5. 269 1. 00 0. 00 c ATOMO 318 OE1 GLN A 25 6. 567 8. 978 -4. 996 1. 00 0. 00 0 ATOMO 319 NE2 GLN A 25 5. 605 10. 800 -5. 888 1. 00 0. 00 N ATOMO 320 H GLN A 25 2. 866 5. 570 -6. 252 1. 00 0. 00 H ATOMO 321 HA GLN A 25 2.961 6.835 -3.683 1.00 0.00 H ATOMO 322 1HB GLN A 25 4 .824 7 .112 -5. 186 1 .00 0 .00 H ATOMO 323 2HB GLN A 25 3 .774 7 .723 -6. 455 1 .00 0 .00 H ATOMO 324 1HG GLN A 25 3 .437 9 .755 -5. 352 1 .00 0 .00 H ATOMO 325 2HG GLN A 25 4 .070 9 .130 -3. 833 1 .00 0 .00 H ATOMO 326 1HE2 GLN A 25 4 .759 11 .261 -6. 073 1 .00 0 .00 H ATOMO 327 2HE2 GLN A 25 6 .484 11 .158 -6. 135 1 .00 0 .00 H ATOMO 328 N GLÜ A 26 1 .092 8 .474 -3. 708 1 .00 0 .00 N ATOMO 329 CA GLU A 26 -0 .079 9 .341 -3. 672 1 .00 0 .00 c ATOMO 330 C GLU A 26 0 .131 10 .503 -2. 709 1 .00 0 .00 c ATOMO 331 0 GLU A 26 1 .206 10 .656 -2. 130 1 .00 0 .00 o ATOMO 332 CB GLÜ A 26 -1 .319 8 .542 -3. 267 1 .00 0 .00 c ATOMO 333 CG GLU A 26 -1 .615 7 .372 -4. 191 1 .00 0 .00 c ATOMO 334 CD GLU A 26 -2 .956 6 .727 -3. 905 1 .00 0 .00 c ATOMO 335 0E1 GLU A 26 -3 .126 5 .536 -4. 238 1 .00 0 .00 o ATOMO 336 OE2 GLU A 26 -3 .838 7 .414 -3. 345 1 .00 0 .00 0 ATOMO 337 H GLU A 26 1 .597 8 .317 -2. 884 1 .00 0 .00 H ATOMO 338 HA GLU A 26 -0 .228 9 .737 -4. 665 1 .00 0 .00 H ATOMO 339 1HB GLÜ A 26 -1 .174 8 .159 -2. 268 1 .00 0 .00 H ATOMO 340 2HB GLU A 26 -2 .174 9 .200 -3. 271 1 .00 0 .00 H ATOMO 341 1HG GLU A 26 -1 .614 7 .726 -5. 211 1 .00 0 .00 H ATOMO 342 2HG GLU A 26 -0 .840 6 .629 -4. 069 1 .00 0 .00 H ATOMO 343 N ARG A 27 -0 .902 11 .319 -2. 546 1 .00 0 .00 N ATOMO 344 CA ARG A 27 -0 .838 12 .472 -1. 658 1 .00 0 .00 c ATOMO 345 C ARG A 27 -1 .777 12 .298 -0. 469 1 .00 0 .00 c ATOMO 346 0 ARG A 27 -2 .822 11 .657 -0. 581 1 .00 0 .00 0 ATOMO 347 CB ARG A 27 -1 .197 13 .744 -2. 424 1 .00 0 .00 c ATOMO 348 CG ARG A 27 -0 .161 14 .142 -3. 462 1 .00 0 .00 c ATOMO 349 CD ARG A 27 0 .834 15 .146 -2. 904 1 .00 0 .00 c ATOMO 350 NE ARG A 27 2 .120 15 .088 -3. 599 1 .00 0 .00 N ATOMO 351 CZ ARG A 27 3 .014 16 .076 -3. 602 1 .00 0 .00 c ATOMO 352 NHl ARG A 27 2 .777 17 .206 -2. 944 1 .00 0 .00 N ATOMO 353 NH2 ARG A 27 4 .152 15 .934 -4. 267 1 .00 0 .00 N ATOMO 354 H ARG A 27 -1 .730 11 .143 -3. 038 1 .00 0 .00 H ATOMO 355 HA ARG A 27 0 .175 12 .555 -1. 292 1 .00 0 .00 H ATOMO 356 1HB ARG A 27 -2 .140 13 .593 -2. 927 1 .00 0 .00 H ATOMO 357 2HB ARG A 27 -1 .300 14 .556 -1. 721 1 .00 0 .00 H ATOMO 358 1HG ARG A 27 0 .374 13 .259 -3. 780 1 .00 0 .00 H ATOMO 359 2HG ARG A 27 -0 .666 14 .582 -4. 310 1 .00 0 .00 H ATOMO 360 1HD ARG A 27 0 .423 16 .139 -3. 011 1 .00 0 .00 H ATOMO 361 2HD ARG A 27 0 .991 14 .934 -1. 857 1 .00 0 .00 H ATOMO 362 HE ARG A 27 2 .327 14 .267 -4. 092 1 .00 0 .00 H ATOMO 363 1HH1 ARG A 27 1 .923 17 .323 -2. 439 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 3 .456 17 .941 -2. 955 1 .00 0 .00 H ATOMO 365 1HH2 ARG A 27 4 .338 15 .087 -4. 764 1 .00 0 .00 H ATOMO 366 2HH2 ARG A 27 4 .825 16 .674 -4. 272 1 .00 0 .00 H ATOMO 367 N ASN A 28 -1 .400 12 .872 0. 670 1 .00 0 .00 N ATOMO 368 CA ASN A 28 -2 .212 12 .777 1. 877 1 .00 0, .00 c ATOMO 369 C ASN A 28 -2 .870 14 .117 2. 197 1 .00 0. .00 c ATOMO 370 O ASN A 28 -2 .766 15 .071 1. 425 1 .00 0 .00 0 ATOMO 371 CB ASN A 28 -1 .355 12 .318 3. 059 1 .00 0, .00 c ATOMO 372 CG ASN A 28 -0 .250 13 .301 3. 390 1 .00 0, .00 c ATOMO 373 OD1 ASN A 28 -0 .015 14 .258 2. 655 1 .00 0, .00 0 ATOMO 374 ND2 ASN A 28 0 .435 13 .067 4. 503 1 .00 0, .00 N ATOMO 375 H ASN A 28 -0 .557 13 .370 0. 698 1 .00 0. .00 H ATOMO 376 HA ASN A 28 -2 .986 12 .045 1. 700 1 .00 0, .00 H ATOMO 377 1HB ASN A 28 -1, .983 12 .204 3. 928 1, .00 0. .00 H ATOMO 378 2KB ASN A 28 -0.905 11.367 2.817 1.00 0.00 H ATOMO 379 1HD2 ASN A 28 0. 193 12. 284 5 .040 1. 00 0. 00 H ATOMO 380 2HD2 ASN A 28 1. 155 13. 688 4 .742 1. 00 0. 00 H ATOMO 3B1 N GLU A 29 -3. 546 14. 180 3 .339 1. 00 0. 00 N ATOMO 382 CA GLU A 29 -4. 222 15. 399 3 .763 1. 00 0. 00 C ATOMO 383 C GLU A 29 -3. 222 16. 525 4 .005 1. 00 0. 00 c ATOMO 384 0 GLÜ A 29 -3. 539 17. 700 3 .822 1. 00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 030 15. 134 5 .032 1. 00 0. 00 c ATOMO 386 CG GLU A 29 -5. 914 13. 900 4 .944 1. 00 0. 00 c ATOMO 387 CD GLU A 29 -7. 376 14. 244 4 .732 1. 00 0. 00 c ATOMO 388 OE1 GLU A 29 -7. 672 15. 032 3 .810 1. 00 0. 00 o ATOMO 389 OE2 GLU A 29 -8. 223 13. 725 5 .489 1. 00 0. 00 0 ATOMO 390 H GLU A 29 -3. 595 13. 388 3 .911 1. 00 0. 00 H ATOMO 391 HA GLU A 29 -4. 897 15. 696 2 .973 1. 00 0. 00 H ATOMO 392 1HB GLU A 29 -4. 347 15. 003 5 .859 1. 00 0. 00 H ATOMO 393 2HB GLU A 29 -5. 658 15. 988 5 .229 1. 00 0. 00 H ATOMO 394 1HG GLU A 29 -5. 580 13. 292 4 .118 1. 00 0. 00 H ATOMO 395 2HG GLÜ A 29 -5. 821 13. 340 5 .863 1. 00 0. 00 H ATOMO 396 N ASN A 30 -2. 013 16. 158 4 .422 1. 00 0. 00 N ATOMO 397 CA ASN A 30 -0. 969 17. 140 4 .692 1. 00 0. 00 c ATOMO 398 C ASN A 30 -0. 348 17. 653 3 .397 1. 00 0. 00 c ATOMO 399 0 ASN A 30 0. 120 18. 791 3 .331 1. 00 0. 00 o ATOMO 400 CB ASN A 30 0. 115 16. 529 5 .581 1. 00 0. 00 c ATOMO 401 CG ASN A 30 -0. 356 16. 320 7 .007 1. 00 0. 00 c ATOMO 402 OD1 ASN A 30 -1. 548 16. 142 7 .259 1. 00 0. 00 o ATOMO 403 ND2 ASN A 30 0. 579 16. 341 7 .948 1. 00 0. 00 N ATOMO 404 H ASN A 30 -1. 820 15. 207 4 .553 1. 00 0. 00 H ATOMO 405 HA ASN A 30 -1. 422 17. 970 5 .214 1. 00 0. 00 H ATOMO 406 1HB ASN A 30 0. 409 15. 572 5 .175 1. 00 0. 00 H ATOMO 407 2HB ASN A 30 0. 972 17. 186 5 .597 1. 00 0. 00 H ATOMO 408 1HD2 ASN A 30 1. 509 16. 489 7 .674 1. 00 0. 00 H ATOMO 409 2HD2 ASN A 30 0. 303 16. 208 8 .879 1. 00 0. 00 H ATOMO 410 N GLY A 31 -0. 346 16. 811 2 .368 1. 00 0. 00 N ATOMO 411 CA GLY A 31 0. 222 17. 203 1 .091 1. 00 0. 00 c ATOMO 412 C GLY A 31 1. 568 16. 553 0 .804 1. 00 0. 00 c ATOMO 413 O GLY A 31 2. 174 16. 814 -0 .235 1. 00 0. 00 0 ATOMO 414 H GLY A 31 -0. 731 15. 916 2 .477 1. 00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 468 16. 930 0 .307 1. 00 0. 00 H ATOMO 416 2HA GLY A 31 0. 347 18. 277 1 .082 1. 00 0. 00 H ATOMO 417 N HIS A 32 2. 040. 15. 702 1 .715 1. 00 0. 00 N ATOMO 418 CA HIS A 32 3. 317 15. 023 1 .533 1. 00 0. 00 c ATOMO 419 C HIS A 32 3. 136 13. 738 0 .733 1. 00 0. 00 c ATOMO 420 0 HIS A 32 2. 040 13. 178 0 .684 1. 00 0. 00 o ATOMO 421 CB HIS A 32 3. 952 14. 710 2 .889 1. 00 0. 00 c ATOMO 422 CG HIS A 32 5. 441 14. 553 2 .831 1. 00 0. 00 c ATOMO 423 ND1 HIS A 32 6. 122 13. 576 3 .525 1. 00 0. 00 N ATOMO 424 CD2 HIS A 32 6. 379 15. 257 2 .154 1. 00 0. 00 c ATOMO 425 CE1 HIS A 32 7. 416 13. 686 3 .279 1. 00 0. 00 c ATOMO 426 NE2 HIS A 32 7. 598 14. 698 2 .450 1. 00 0. 00 N ATOMO 427 H HIS A 32 1. 520 15. 522 2 .523 1. 00 0. 00 H ATOMO 428 HA HIS A 32 3. 970 15. 686 0 .983 1. 00 0. 00 H ATOMO 429 1HB HIS A 32 3. 730 15. 511 3 .576 1. 00 0. 00 H ATOMO 430 2HB HIS A 32 3. 535 13. 789 3 .269 1. 00 0. 00 H ATOMO 431 HD1 HIS A 32 5. 719 12. 902 4 .111 1. 00 0. 00 H ATOMO 432 HD2 HIS A 32 6. 201 16. 101 1 .503 1. 00 0. 00 H ATOMO 433 HE1 HIS A 32 8. 193 13. 055 3 .685 1. 00 0. 00 H ATOMO 434 HE2 HIS A 32 8. 468 15. 046 2 .165 1. 00 0. 00 H ATOMO 435 N THR A 33 4.211 13.276 0.105 1.00 0.00 N ATOMO 436 CA THR A 33 4. 156 12. 057 -0. 692 1 .00 0. 00 C ATOMO 437 C THR A 33 3. 925 10. 837 0. 192 1 .00 0. 00 C ATOMO 438 0 THR A 33 4. 590 10. 660 1. 212 1 .00 0. 00 O ATOMO 439 CB THR A 33 5. 446 11. 878 -1. 493 1 .00 0. 00 c ATOMO 440 0G1 THR A 33 5. 709 13. 021 -2. 286 1 .00 0. 00 o ATOMO 441 CG2 THR A 33 5. 408 10. 677 -2. 414 1 .00 0. 00 c ATOMO 442 H THR A 33 5. 057 13. 764 0. 178 1 .00 0. 00 H ATOMO 443 HA THR A 33 3. 328 12. 149 -1. 379 1 .00 0. 00 H ATOMO 444 HB THR A 33 6. 269 11. 743 -0. 806 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 6. 653 13. 197 -2. 292 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6. 408 10. 445 -2. 748 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4. 786 10. 900 -3. 269 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 4. 999 9. 829 -1. 884 1 .00 0. 00 H ATOMO 449 N VAL A 34 2. 979 9. 998 -0. 213 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2. 655 8. 790 0. 533 1 .00 0. 00 C ATOMO 451 C VAL A 34 2. 515 7. 597 -0. 402 1 .00 0. 00 C ATOMO 452 0 VAL A 34 2. 578 7. 740 -1. 621 1 .00 0. 00 O ATOMO 453 CB VAL A 34 1. 352 8. 955 1. 338 1 .00 0. 00 C ATOMO 454 CG1 VAL A 34 1. 569 9. 883 2. 524 1 .00 0. 00 C ATOMO 455 CG2 VAL A 34 0. 232 9. 472 0. 446 1 .00 0. 00 C ATOMO 456 H VAL A 34 2. 487 10. 196 -1. 036 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3. 460 8. 596 1. 226 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1. 062 7. 986 1. 718 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 1. 991 10. 816 2. 178 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2. 248 9. 420 3. 225 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 0. 624 10. 074 3. 010 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0. 453 10. 484 0. 141 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. 699 9. 456 0. 994 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. 148 8. 842 -0. 427 1 .00 0. 00 H ATOMO 465 N TYR A 35 2. 327 6. 421 0. 179 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2. 177 5. 198 -0. 601 1 .00 0. 00 C ATOMO 467 C TYR A 35 0. 856 4. 509 -0. 271 1 .00 0. 00 C ATOMO 468 O TYR A 35 0. 560 4. 245 0. 894 1 .00 0. 00 O ATOMO 469 CB TYR A 35 3. 345 4. 251 -0. 328 1 .00 0. 00 C ATOMO 470 CG TYR A 35 4. 685 4. 802 -0. 763 1 .00 0. 00 C ATOMO 471 CD1 TYR A 35 5. 127 4. 653 -2. 071 1 .00 0. 00 C ATOMO 472 CD2 TYR A 35 5. 507 5. 471 0. 136 1 .00 0. 00 C ATOMO 473 CE1 TYR A 35 6. 352 5. 154 -2. 472 1 .00 0. 00 C ATOMO 474 CE2 TYR A 35 6. 731 5. 976 -0. 258 1 .00 0. 00 C ATOMO 475 CZ TYR A 35 7. 149 5. 815 -1. 562 1 .00 0. 00 C ATOMO 476 OH TYR A 35 8. 369 6. 316 -1. 958 1 .00 0. 00 O ATOMO 477 H TYR A 35 2. 289 6. 374 1. 157 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2. 177 5. 466 -1. 646 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3. 398 4. 050 0. 731 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3. 179 3. 327 -0. 858 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 4. 500 4. 135 -2. 782 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 5. 177 5. 595 1. 157 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 6. 678 5. 029 -3. 494 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7. 357 6. 493 0. 455 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8. 868 5. 628 -2. 404 1 .00 0. 00 H ATOMO 486 N TYR A 36 0. 058 4. 230 -1. 299 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1. 235 3. 582 -1. 101 1 .00 0. 00 C ATOMO 488 C TYR A 36 -1. 414 2. 380 -2. 022 1 .00 0. 00 C ATOMO 489 O TYR A 36 -0. 662 2. 193 -2. 977 1 .00 0. 00 O ATOMO 490 CB TYR A 36 -2. 368 4. 586 -1. 329 1 .00 0. 00 C ATOMO 491 CG TYR A 36 -2. 787 5. 321 -0. 075 1 .00 0. 00 C ATOMO 492 CD1 TYR A 36 -1.902 6.163 0.586 1.00 0.00 c ATOMO 493 CD2 TYR A 36 -4 .066 5 .173 0 .446 1 .00 0.00 c ATOMO 494 CE1 TYR A 36 -2 .280 6 .836 1 .734 1 .00 0.00 c ATOMO 495 CE2 TYR A 36 -4 .452 5 .843 1 .591 1 .00 0.00 c ATOMO 496 CZ TYR A 36 -3 .556 6 .672 2 .231 1 .00 0.00 c ATOMO 497 OH TYR A 36 -3 .935 7 .341 3 .372 1 .00 0.00 o ATOMO 498 H TYR A 36 0 .340 4 .470 -2 .208 1 .00 0.00 H ATOMO 499 HA TYR A 36 -1 .278 3 .238 -0 .081 1 .00 0.00 H ATOMO 500 1HB TYR A 36 -2 .048 5 .320 -2 .052 1 .00 0.00 H ATOMO 501 2HB TYR A 36 -3 .232 4 .062 -1 .712 1 .00 0.00 H ATOMO 502 HD1 TYR A 36 -0 ,904 6 .289 0 .194 1 .00 0.00 H ATOMO 503 HD2 TYR A 36 -4 .765 4 .521 -0 .057 1 .00 0.00 H ATOMO 504 HE1 TYR A 36 -1 .578 7 .486 2 .233 1 .00 0.00 H ATOMO 505 HE2 TYR A 36 -5 .451 5 .714 1 .981 1 .00 0.00 H ATOMO 506 HH TYR A 36 -4 .604 7 .996 3 .154 1 .00 0.00 H ATOMO 507 N CYS A 37 -2 .419 1 .566 -1 .714 1 .00 0.00 N ATOMO 508 CA CYS A 37 -2 .715 0 .367 -2 .499 1 .00 0.00 c ATOMO 509 C CYS A 37 -3 .878 0 .613 -3 .451 1 .00 0.00 c ATOMO 510 O CYS A 37 -4 .908 1 .163 -3 .063 1 .00 0.00 0 ATOMO 511 CB CYS A 37 -3 .045 -0 .806 -1 .572 1 .00 0.00 c ATOMO 512 SG CYS A 37 -1 .580 -1 .609 -0 .851 1 .00 0.00 s ATOMO 513 H CYS A 37 -2 .970 1 .774 -0 .930 1 .00 0.00 H ATOMO 514 HA CYS A 37 -1 .838 0 .119 -3 .079 1 .00 0.00 H ATOMO 515 1HB CYS A 37 -3 .666 -0 .455 -0 .761 1 .00 0.00 H ATOMO 516 2HB CYS A 37 -3 .587 -1 .554 -2 .128 1 .00 0.00 H ATOMO 517 N ARG A 38 -3 .701 0 .203 -4 .703 1 .00 0.00 N ATOMO 518 CA ARG A 38 -4 .729 0 .378 -5 .718 1 .00 0.00 c ATOMO 519 C ARG A 38 -4 .955 -0 .915 -6 .492 1 .00 0.00 c ATOMO 520 O ARG A 38 -4 .013 -1 .521 -7 .000 1 .00 0.00 o ATOMO 521 CB ARG A 38 -4 .335 1 .498 -6. .682 1 .00 0.00 c ATOMO 522 CG ARG A 38 -4 .184 2 .852 -6 .009 1 .00 0.00 c ATOMO 523 CD ARG A 38 -5 .532 3 .517 -5. .790 1 .00 0.00 c ATOMO 524 NE ARG A 38 -5 .465 4 .964 -5 .987 1 .00 0.00 N ATOMO 525 CZ ARG A 38 -6 .491 5 .793 -5, .793 1 .00 0.00 c ATOMO 526 NH1 ARG A 38 -7 .670 5 .330 -5, .393 1 .00 0.00 N ATOMO 527 NH2 ARG A 38 -6 .336 7 .094 -5, .998 1 .00 0.00 N ATOMO 528 H ARG A 38 -2 .856 -0 .227 -4. .950 1 .00 0.00 H ATOMO 529 HA ARG A 38 -5 .647 0 .651 -5. .219 1, .00 0.00 H ATOMO 530 1HB ARG A 38 -3 .393 1 .244 -7. .146 1, .00 0.00 H ATOMO 531 2HB ARG A 38 -5 .092 1 .583 -7. .447 1, .00 0.00 H ATOMO 532 1HG ARG A 38 -3 .701 2 .715 -5. .053 1. .00 0.00 H ATOMO 533 2HG ARG A 38 -3 .575 3 .488 -6. .635 1, .00 0.00 H ATOMO 534 1HD ARG A 38 -6 .242 3 .100 -6. .489 1. .00 0.00 H ATOMO 535 2HD ÁRG A 38 -5, .859 3 .313 -4. ,781 1. .00 0.00 H ATOMO 536 HE ARG A 38 -4 .608 5 .339 -6. ,280 1. .00 0.00 H ATOMO 537 1HH1 ARG A 38 -7, .797 4. .352 -5. ,233 1. .00 0.00 H ATOMO 538 2HH1 ARG A 38 -8, .432 5, .961 -5. .250 1, .00 0.00 H ATOMO 539 1HH2 ARG A 38 -5, .451 7, .451 -6. ,298 1. .00 0.00 H ATOMO 540 2HH2 ARG A 38 -7, .104 7, .718 -5. 855 1. .00 0.00 H ATOMO 541 N ALA A 39 -6. .212 -1. .328 -6. 575 1. .00 0.00 N ATOMO 542 CA ALA A 39 -6. .570 -2. .549 -7. 286 1. .00 0.00 c ATOMO 543 C ALA A 39 -6. .418 -2, .370 -8. 793 1. ,00 0.00 c ATOMO 544 O ALA A 39 -6. .505 -3. .382 -9. 520 1. 00 0.00 0 ATOMO 545 CB ALA A 39 -7. .993 -2, .962 -6. 943 1. .00 0.00 c ATOMO 546 OXT ALA A 39 -6. .214 -1. ,220 -9. 234 1. 00 0.00 0 ATOMO 547 H ALA A 39 -6. .917 -0, .798 -6. 148 1. 00 0.00 H ATOMO 548 HA ALA A 39 -5. 904 -3. .333 -6. 958 1. 00 0.00 H ATOMO 549 1HB ALA A 39 -8.000 -3.475 -5.993 1.00 0.00 H ATOMO 550 2HB ALA A 39 -8 .373 -3 .620 -7 .711 1 .00 0.00 H ATOMO 551 3HB ALA A 39 -8 .618 -2 .083 -6 .881 1 .00 0.00 H TER 552 ALA A 39 ENDMDL MODELO 20 ATOMO 1 N GLY A 1 -3 .003 -15 .655 4 .881 1 .00 0.00 N ATOMO 2 CA GLY A 1 -1 .986 -14 .721 4 .325 1 .00 0.00 C ATOMO 3 C GLY A 1 -2 .124 -13 .317 4 .880 1 .00 0.00 C ATOMO 4 0 GLY A 1 -3 .060 -13 .026 5 .625 1 .00 0.00 0 ATOMO 5 1H GLY A 1 -3 .253 -16 .375 4 .172 1 .00 0.00 H ATOMO 6 2H GLY A 1 -3 .862 -15 .133 5 .145 1 .00 0.00 H ATOMO 7 3H GLY A 1 -2 .627 -16 .132 5 .725 1 .00 0.00 H ATOMO 8 1HA GLY A 1 -1 .002 -15 .096 4 .562 1 .00 0.00 H ATOMO 9 2HA GLY A 1 -2 .097 -14 .683 3 .251 1 .00 0.00 H ATOMO 10 N SER A 2 -1 .187 -12 .446 4 .517 1 .00 0.00 N ATOMO 11 CA SER A 2 -1 .208 -11 .065 4 .985 1 .00 0.00 c ATOMO 12 C SER A 2 -0 .891 -10 .099 3 .846 1 .00 0.00 c ATOMO 13 O SER A 2 0 .112 -10 .254 3 .150 1 .00 0.00 0 ATOMO 14 CB SER A 2 -0 .202 -10 .874 6 .123 1 .00 0.00 c ATOMO 15 OG SER A 2 -0 .474 -9 .691 6 .853 1 .00 0.00 0 ATOMO 16 H SER A 2 -0 .467 -12 .738 3 .922 1 .00 0.00 H ATOMO 17 HA SER A 2 -2 .199 -10 .853 5 .355 1 .00 0.00 H ATOMO 18 1HB SER A 2 -0 .260 -11 .718 6 .795 1 .00 0.00 H ATOMO 19 2HB SER A 2 0 .794 -10 .809 5 .712 1 .00 0.00 H ATOMO 20 HG SER A 2 -1 .218 -9 .841 7 .441 1 .00 0.00 H ATOMO 21 N CYS A 3 -1, .753 -9 .104 3 .664 1 .00 0.00 N ATOMO 22 CA CYS A 3 -1. .566 -8 .113 2 .614 1 .00 0.00 c ATOMO 23 C CYS A 3 -2. .213 -6 .788 3 .000 1 .00 0.00 c ATOMO 24 0 CYS A 3 -2. .977 -6 .717 3 .963 1 .00 0.00 o ATOMO 25 CB CYS A 3 -2. .151 -8 .615 1 .290 1 .00 0.00 c ATOMO 26 SG CYS A 3 -3. .930 -9 .010 1, .356 1 .00 0.00 S ATOMO 27 H CYS A 3 -2, .531 -9 .031 4, .254 1 .00 0.00 H ATOMO 28 HA CYS A 3 -0. .504 -7 .957 2. .491 1 .00 0.00 H ATOMO 29 1HB CYS A 3 -2. .014 -7 .856 0, .535 1 .00 0.00 H ATOMO 30 2HB CYS A 3 -1. .626 -9 .510 0. .990 1. .00 0.00 H ATOMO 31 N VAL A 4 -1. .905 -5 .744 2, .243 1 .00 0.00 N ATOMO 32 CA VAL A 4 -2. .453 -4, .425 2. .498 1, .00 0.00 c ATOMO 33 C VAL A 4 -3. .785 -4, .242 1. ,764 1, .00 0.00 c ATOMO 34 0 VAL A 4 -3. 874 -4 , .520 0. .572 1, .00 0.00 o ATOMO 35 CB VAL A 4 -1. ,461 -3, .338 2. .048 1, .00 0.00 c ATOMO 36 CG1 VAL A 4 -2. .027 -1, .945 2. .283 1, .00 0.00 c ATOMO 37 CG2 VAL A 4 -0. .137 -3, .517 2. .770 1, ,00 0.00 c ATOMO 38 H VAL A 4 -1. ,292 -5, .864 1. .489 1. .00 0.00 H ATOMO 39 HA VAL A 4 -2. ,606 -4. .328 3. .560 1. .00 0.00 H ATOMO 40 HB VAL A 4 -1. 287 -3. .456 0. ,990 1. .00 0.00 H ATOMO 41 1HG1 VAL A 4 -1. 239 -1. .217 2. 187 1. .00 0.00 H ATOMO 42 2HG1 VAL A 4 -2. 452 -1. .893 3. 274 1. .00 0.00 H ATOMO 43 3HG1 VAL A 4 -2. 797 -1. .745 1. 551 1. .00 0.00 H ATOMO 44 1HG2 VAL A 4 0. 336 -4. .426 2. 430 1. .00 0.00 H ATOMO 45 2HG2 VAL A 4 -0. 315 -3. .582 3. 835 1. .00 0.00 H ATOMO 46 3HG2 VAL A 4 0. 505 -2. .676 2. 563 1. ,00 0.00 H ATOMO 47 N PRO A 5 -4. 842 -3. ,766 2. 448 1. .00 0.00 N ATOMO 48 CA PRO A 5 -6. 143 -3. 562 1. 811 1. ,00 0.00 c ATOMO 49 C PRO A 5 -6. 096 -2. 446 0. 773 1. ,00 0.00 c ATOMO 50 O PRO A 5 -5. 505 -1. ,385 1. 004 1. ,00 0.00 o ATOMO 51 CB PRO A 5 -7. 076 -3. 179 2. 971 1. 00 0.00 c ATOMO 52 CG PRO A 5 -6.320 -3.492 4.220 1.00 0.00 c ATOMO 53 CD PRO A 5 -4 .865 -3. 383 3.869 1. 00 0. 00 c ATOMO 54 HA PRO A 5 -6 .498 -4. 472 1.343 1. 00 0. 00 H ATOMO 55 1HB PRO A 5 -7 .316 -2. 128 2.911 1. 00 0. 00 H ATOMO 56 2HB PRO A 5 -7 .985 -3. 760 2.908 1. 00 0. 00 H ATOMO 57 1HG PRO A 5 -6 .573 -2. 779 4.991 1. 00 0. 00 H ATOMO 58 2HG PRO A 5 -6 .552 -4. 495 4.547 1. 00 0. 00 H ATOMO 59 1HD PRO A 5 -4 .517 -2. 369 4.003 1. 00 0. 00 H ATOMO 60 2HD PRO A 5 -4 .281 -4. 066 4.465 1. 00 0. 00 H ATOMO 61 N VAL A 6 -6 .733 -2. 677 -0.372 1. 00 0. 00 N ATOMO 62 CA VAL A 6 -6 .765 -1. 686 -1.429 1. 00 0. 00 c ATOMO 63 C VAL A 6 -7 .378 -0. 397 -0.914 1. 00 0. 00 c ATOMO 64 0 VAL A 6 -8 .203 -0. 414 0.000 1. 00 0. 00 0 ATOMO 65 CB VAL A 6 -7 .540 -2. 201 -2.657 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7 .614 -1. 145 -3.748 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6 .883 -3. 463 -3.183 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7 .199 -3. 524 -0.503 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5 .745 -1. 489 -1.729 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8 .546 -2. 444 -2.350 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8 .142 -0. 280 -3.375 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8 .137 -1. 548 -4.602 1. 00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6 .613 -0. 860 -4.039 1. 00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5 .826 -3. 433 -2.960 1. 00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7 .024 -3. 522 -4.251 1. 00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7 .327 -4. 324 -2.710 1. 00 0. 00 H ATOMO 77 N ASP A 7 -6 .934 0. 717 -1.476 1. 00 0. 00 N ATOMO 78 CA ASP A 7 -7 .387 2. 032 -1.063 1. 00 0. 00 c ATOMO 79 C ASP A 7 -6 .776 2. 416 0.288 1. 00 0. 00 c ATOMO 80 O ASP A 7 -7 .112 3. 462 0.844 1. 00 0. 00 0 ATOMO 81 CB ASP A 7 -8 .914 2. 094 -0.997 1. 00 0. 00 c ATOMO 82 CG ASP A 7 -9 .570 1. 567 -2.259 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -10 .109 0. 441 -2.223 1. 00 0. 00 0 ATOMO 84 OD2 ASP A 7 -9 .545 2. 282 -3.284 1. 00 0. 00 0 ATOMO 85 H ASP A 7 -6 .258 0. 656 -2.167 1. 00 0. 00 H ATOMO 86 HA ASP A 7 -7 .044 2. 738 -1.804 1. 00 0. 00 H ATOMO 87 1HB ASP A 7 -9 .256 1. 502 -0.163 1. 00 0. 00 H ATOMO 88 2HB ASP A 7 -9 .213 3. 116 -0.858 1. 00 0. 00 H ATOMO 89 N GLN A 8 -5 .863 1. 581 0.814 1. 00 0. 00 N ATOMO 90 CA GLN A 8 -5 .218 1. 875 2.081 1. 00 0. 00 c ATOMO 91 C GLN A 8 -3 .722 2. 107 1.875 1. 00 0. 00 c ATOMO 92 O GLN A 8 -3 .147 1. 630 0.897 1. 00 0. 00 0 ATOMO 93 CB GLN A 8 -5 .442 0. 740 3.080 1. 00 0. 00 c ATOMO 94 CG GLN A 8 -6 .895 0. 313 3.197 1. 00 0. 00 c ATOMO 95 CD GLN A 8 -7 .810 1. 460 3.581 1. 00 0. 00 c ATOMO 96 0E1 GLN A 8 -8 .211 2. 260 2.735 1. 00 0. 00 0 ATOMO 97 NE2 GLN A 8 -8 .144 1. 547 4.863 1. 00 0. 00 N ATOMO 98 H GLN A 8 -5 .609 0. 761 0.337 1. 00 0. 00 H ATOMO 99 HA GLN A 8 -5 .658 2. 778 2.469 1. 00 0. 00 H ATOMO 100 1HB GLN A 8 -4 .859 -0. 116 2.771 1. 00 0. 00 H ATOMO 101 2HB GLN A 8 -5 .104 1. 061 4.054 1. 00 0. 00 H ATOMO 102 1HG GLN A 8 -7 .219 -0. 082 2.246 1. 00 0. 00 H ATOMO 103 2HG GLN A 8 -6 .972 -0. 456 3.952 1. 00 0. 00 H ATOMO 104 1HE2 GLN A 8 -7 .788 0. 876 5.482 1. 00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8 .734 2. 280 5.139 1. 00 0. 00 H ATOMO 106 N PRO A 9 -3 .069 2. 856 2.781 1. 00 0. 00 N ATOMO 107 CA PRO A 9 -1 .640 3. 152 2.662 1. oo 0. 00 c ATOMO 108 C PRO A 9 -0 .752 1. 925 2.811 1. 00 0. 00 c ATOMO 109 0 PRO A 9 -1.006 1.046 3.635 1.00 0.00 0 ATOMO 110 CB PRO A 9 -1. 369 4. 139 3. 795 1.00 0. 00 C ATOMO 111 CG PRO A 9 -2. 477 3. 933 4. 771 1.00 0. 00 c ATOMO 112 CD PRO A 9 -3. 668 3. 489 3. 972 1.00 0. 00 c ATOMO 113 HA PRO A 9 -1. 422 3. 628 1. 719 1.00 0. 00 H ATOMO 114 1HB PRO A 9 -0. 407 3. 925 4. 240 1.00 0. 00 H ATOMO 115 2HB PRO A 9 -1. 367 5. 140 3. 400 1.00 0. 00 H ATOMO 116 1HG PRO A 9 -2. 200 3. 171 5. 484 1.00 0. 00 H ATOMO 117 2HG PRO A 9 -2. 694 4. 858 5. 280 1.00 0. 00 H ATOMO 118 1HD PRO A 9 -4. 252 2. 777 4. 535 1.00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 274 4. 338 3. 693 1.00 0. 00 H ATOMO 120 N CYS A 10 0. 301 1. 893 2. 008 1.00 0. 00 N ATOMO 121 CA. CYS A 10 1. 265 0. 802 2. 028 1.00 0. 00 c ATOMO 122 C CYS A 10 2. 686 1. 353 2. 072 1.00 0. 00 c ATOMO 123 O CYS A 10 2. 891 2. 565 2. 127 1.00 0. 00 0 ATOMO 124 CB CYS A 10 1. 092 -0. 092 0. 800 1.00 0. 00 c ATOMO 125 SG CYS A 10 0. 954 0. 819 -0. 771 1.00 0. 00 S ATOMO 126 H CYS A 10 0. 438 2. 637 1. 385 1.00 0. 00 H ATOMO 127 HA CYS A 10 1. 088 0. 218 2. 920 1.00 0. 00 H ATOMO 128 1HB CYS A 10 1. 941 -0. 753 0. 721 1.00 0. 00 H ATOMO 129 2HB CYS A 10 0. 197 -0. 681 0. 919 1.00 0. 00 H ATOMO 130 N SER A 11 3. 662 0. 456 2. 046 1.00 0. 00 N ATOMO 131 CA SER A 11 5. 065 0. 850 2. 079 1.00 0. 00 c ATOMO 132 C SER A 11 5. 908 -0. 073 1. 206 1.00 0. 00 c ATOMO 133 0 SER A 11 5. 571 -1. 241 1. 011 1.00 0. 00 o ATOMO 134 CB SER A 11 5. 587 0. 840 3. 517 1.00 0. 00 c ATOMO 135 OG SER A 11 5. 576 2. 143 4. 072 1.00 0. 00 0 ATOMO 136 H SER A 11 3. 431 -0. 493 2. 001 1.00 0. 00 H ATOMO 137 HA SER A 11 5. 134 1. 855 1. 689 1.00 0. 00 H ATOMO 138 1HB SER A 11 . 959 0. 202 4. 119 1.00 0. 00 H ATOMO 139 2HB SER A 11 6. 600 0. 464 3. 531 1.00 0. 00 H ATOMO 140 HG SER A 11 6. 443 2. 543 3. 968 1.00 0. 00 H ATOMO 141 N LEU A 12 7. 004 0. 462 0. 680 1.00 0. 00 N ATOMO 142 CA LEU A 12 7. 898 -0. 309 -0. 179 1.00 0. 00 c ATOMO 143 C LEU A 12 8. 609 -1. 421 0. 596 1.00 0. 00 c ATOMO 144 O LEU A 12 9. 096 -2. 381 0. 001 1.00 0. 00 o ATOMO 145 CB LEU A 12 8. 930 0. 605 -0. 854 1.00 0. 00 c ATOMO 146 CG LEU A 12 9. 646 1. 607 0. 061 1.00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 405 0. 890 1. 167 1.00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 592 2. 476 -0. 753 1.00 0. 00 c ATOMO 149 H LEU A 12 7. 212 1. 398 0. 872 1.00 0. 00 H ATOMO 150 HA LEU A 12 7. 292 -0. 766 -0. 946 1.00 0. 00 H ATOMO 151 1HB LEU A 12 9. 679 -0. 021 -1. 316 1.00 0. 00 H ATOMO 152 2HB LEU A 12 8. 427 1. 162 -1. 630 1.00 0. 00 H ATOMO 153 HG LEU A 12 8. 916 2. 255 0. 522 1.00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 279 1. 465 1. 434 1.00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 708 -0. 087 0. 820 1.00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 766 0. 783 2. 031 1.00 0. 00 H ATOMO 157 1HD2 LEU A 12 11. 164 1. 853 -1. 425 1.00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 262 2. 999 -0. 087 1.00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 021 3. 192 -1. 324 1.00 0. 00 H ATOMO 160 N ASN A 13 8. 670 -1. 288 1. 920 1.00 0. 00 N ATOMO 161 CA ASN A 13 9. 327 -2. 287 2. 754 1.00 0. 00 c ATOMO 162 C ASN A 13 8. 315 -3. 130 3. 535 1.00 0. 00 c ATOMO 163 0 ASN A 13 8. 696 -3. 890 4. 426 1.00 0. 00 0 ATOMO 164 CB ASN A 13 10. 294 -1. 609 3. 727 1.00 0. 00 c ATOMO 165 CG ASN A 13 11. 564 -1. 139 3. 046 1.00 0. 00 c ATOMO 166 0D1 ASN A 13 12.124 -1.838 2.200 1..00 0.,00 0 ATOMO 167 ND2 ASN A 13 12 .027 0 .050 3 .412 1, .00 0. ,00 N ATOMO 168 H ASN A 13 8 .269 -0 .506 2 .346 1. .00 0. ,00 H ATOMO 169 HA ASN A 13 9 .889 -2 .938 2 .104 1. .00 0. ,00 H ATOMO 170 1HB ASN A 13 9 .808 -0 .753 4 .169 1. .00 0. ,00 H ATOMO 171 2HB ASN A 13 10 .562 -2 .309 4 .505 1. .00 0. ,00 H ATOMO 172 1HD2 ASN A 13 11 .529 0 .551 4 .092 1, .00 0. ,00 H ATOMO 173 2HD2 ASN A 13 12 .847 0 .379 2 .988 1. .00 0. ,00 H ATOMO 174 N THR A 14 7 .029 -3 .000 3 .205 1. .00 0. ,00 N ATOMO 175 CA THR A 14 5 .992 -3 .759 3 .888 1. .00 0. ,00 C ATOMO 176 C THR A 14 5 .391 -4 .811 2 .963 1. .00 0. ,00 C ATOMO 177 O THR A 14 5 .827 -4 .973 1 .822 1. .00 0. ,00 0 ATOMO 178 CB THR A 14 4 .897 -2 .820 4 .395 1. .00 0. .00 c ATOMO 179 OG1, , THR A 14 4 .359 -2 .054 3 .332 1. .00 0. ,00 0 ATOMO 180 CG2 THR A 14 5 .384 -1 .856 5 .454 1. .00 0. ,00 c ATOMO 181 H THR A 14, 6 .771 -2 .385 2 .491 1, .00 0. ,00 H ATOMO 182 HA THR A 14 6 .446 -4 .254 4 .731 1. .00 0. ,00 H ATOMO 183 HB THR A 14 4 .101 -3 .409 4 .826 1, .00 0. .00 H ATOMO 184 HG1 THR A 14 3 .456 -2 .333 3 .161 1. .00 0. 00 H ATOMO 185 1HG2 THR A 14 4 .575 -1 .203 5 .747 1. .00 0. 00 H ATOMO 186 2HG2 THR A 14 6 .197 -1 .266 5 .057 1. .00 0. ,00 H ATOMO 187 3HG2 THR A 14 5 .728 -2 .410 6 .315 1. .00 0. ,00 H ATOMO 188 N GLN A 15 4 .389 -5 .523 3 .462 1. ,00 0. 00 N ATOMO 189 CA GLN A 15 3 .725 -6 .563 2 .686 1. ,00 0. 00 c ATOMO 190 C GLN A 15 3 .017 -5 .967 1 .468 1. 00 0. 00 c ATOMO 191 0 GLN A 15 2 .655 -4 .790 1 .471 1. ,00 0. 00 0 ATOMO 192 CB GLN A 15 2 .710 -7 .312 3 .555 1. 00 0. 00 c ATOMO 193 CG GLN A 15 3 .201 -7 .600 4 .968 1. 00 0. 00 c ATOMO 194 CD GLN A 15 2 .374 -6 .904 6 .031 1. 00 0. 00 c ATOMO 195 OE1 GLN A 15 1 .228 -6 .522 5 .793 1. 00 0. 00 0 ATOMO 196 NE2 GLN A 15 2 .953 -6 .735 7 .214 1. 00 0. 00 N ATOMO 197 H GLN A 15 4 .088 -5 .347 4 .375 1. 00 0. 00 H ATOMO 198 HA GLN A 15 4. .478 -7 .257 2 .347 1. 00 0. 00 H ATOMO 199 1HB GLN A 15 1 .808 -6 .722 3 .622 1. 00 0. 00 H ATOMO 200 2HB GLN A 15 2 .478 -8 .252 3 .082 1. 00 0. 00 H ATOMO 201 1HG GLN A 15 3, .155 -8 .666 5 .139 1. 00 0. 00 H ATOMO 202 2HG GLN A 15 4. .225 -7, .266 5 .053 1. 00 0. 00 H ATOMO 203 1HE2 GLN A 15 3. .868 -7, .065 7 .334 1. 00 0. 00 H ATOMO 204 2HE2 GLN A 15 2 .441 -6, .288 7 .921 1. 00 0. 00 H ATOMO 205 N PRO A 16 2 .801 -6, .771 0 .407 1. 00 0. 00 N ATOMO 206 CA PRO A 16 2, .123 -6, .299 -0 .805 1. 00 0. 00 c ATOMO 207 C PRO A 16 0, .667 -5. .942 -0 .534 1. 00 0. 00 c ATOMO 208 0 PRO A 16 0. .204 -6, .019 0 .603 1. 00 0. 00 0 ATOMO 209 CB PRO A 16 2. .216 -7, .490 -1 .763 1. 00 0. 00 c ATOMO 210 CG PRO A 16 2. .395 -8, .677 -0 .881 1. 00 0. 00 c ATOMO 211 CD PRO A 16 3. .184 -8. .195 0, .303 1. 00 0. 00 c ATOMO 212 HA PRO A 16 2. .627 -5, .445 -1, .234 1. 00 0. 00 H ATOMO 213 1HB PRO A 16 1. .306 -7. .562 -2, .342 1. 00 0. 00 H ATOMO 214 2HB PRO A 16 3. .060 -7, .360 -2 .423 1. 00 0. 00 H ATOMO 215 1HG PRO A 16 1. .431 -9. ,048 -0, .565 1. 00 0. 00 H ATOMO 216 2HG PRO A 16 2. ,942 -9. .445 -1, .407 1. 00 0. 00 H ATOMO 217 1HD PRO A 16 2. ,900 -8. .736 1, .192 1. 00 0. 00 H ATOMO 218 2HD PRO A 16 4. .242 -8. ,296 0, .119 1. 00 0. 00 H ATOMO 219 N CYS A 17 -0. ,051 -5. .549 -1, .580 1. 00 0. 00 N ATOMO 220 CA CYS A 17 -1. 454 -5. ,182 -1. .439 1. 00 0. 00 c ATOMO 221 C CYS A 17 -2. 360 -6. ,395 -1. .610 1. 00 0. 00 c ATOMO 222 O CYS A 17 -1. 898 -7. ,499 -1. .897 1. 00 0. 00 0 ATOMO 223 CB CYS A 17 -1.828 -4.098 -2.451 1.00 0.00 C ATOMO 224 SG CYS A 17 -0 .791 -2. 603 -2. 360 1 .00 0. 00 S ATOMO 225 H CYS A 17 0. .369 -5. 505 -2. 463 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1 .592 -4. 789 -0. 444 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1 .740 -4. 499 -3. 449 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2 .851 -3. 797 -2. 277 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3 .654 -6. 174 -1. 421 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4 .648 -7. 232 -1. 539 1 .00 0. 00 C ATOMO 231 C CYS A 18 -5 .407 -7. 116 -2. 856 1 .00 0. 00 C ATOMO 232 0 CYS A 18 · -5 .336 -6. 093 -3. 536 1 .00 0. 00 O ATOMO 233 CB CYS A 18 -5 ,630 -7. 163 -0. 366 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4 .840 -7. 196 1. 276 1 .00 0. 00 S ATOMO 235 H CYS A 18 -3 .948 -5. 271 -1. 188 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4 .133 -8. 181 -1. 513 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6 .195 -6. 246 -0. 436 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6 .308 -7. 999 -0. 422 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .131 -8. 170 -3. 211 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -6 .906 -8. 188 -4. 450 1 .00 0. 00 C ATOMO 241 C ASP A 19 -6 .022 -7. 879 -5. 658 1 .00 0. 00 C ATOMO 242 0 ASP A 19 -6 .481 -7. 311 -6. 648 1 .00 0. 00 0 ATOMO 243 CB ASP A 19 -8 .051 -7. 177 -4. 373 1 .00 0. 00 C ATOMO 244 CG ASP A 19 -9 .028 -7. 498 -3. 259 1 .00 0. 00 C ATOMO 245 ODl ASP A 19 -9 .818 -8. 453 -3. 418 1 .00 0. 00 O ATOMO 246 OD2 ASP A 19 -9 .004 -6. 795 -2. 227 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6 .146 -8. 955 -2. 627 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7 .320 -9. 178 -4. 568 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7 .644 -6. 194 -4. 196 1 .00 0. 00 H ATOMO 250 2HB ASP A. 19 -8 .588 -7. 179 -5. 310 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4 .750 -8. 258 -5. 562 1.00 0. 00 N ATOMO 252 CA ASP A 20 -3 .793 -8. 023 -6. 640 1 .00 0. 00 C ATOMO 253 C ASP A 20 -3 .571 -6. 530 -6. 858 1 .00 0. 00 C ATOMO 254 O ASP A 20 -3 .394 -6. 077 -7. 989 1 .00 0. 00 O ATOMO 255 CB ASP A 20 -4 .270 -8. 678 -7. 938 1 .00 0. 00 C ATOMO 256 CG ASP A 20 -3 .178 -8. 747 -8. 988 1 .00 0. 00 C ATOMO 257 ODl ASP A 20 -3 .087 -7. 812 -9. 812 1 .00 0. 00 O ATOMO 258 OD2 ASP A 20 -2 .413 -9. 734 -8. 984 1 .00 0. 00 O ATOMO 259 H ASP A 20 -4 .445 -8. 705 -4. 745 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2 .856 -8. 469 -6. 346 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -4 .603 -9. 683 -7. 726 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -5 .095 -8. 107 -8. 340 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3 .573 -5. 771 -5. 768 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3 .363 -4. 330 -5. 841 1 .00 0. 00 C ATOMO 265 C ALA A 21 -1 .882 -4. 004 -5. 986 1 .00 0. 00 C ATOMO 266 O ALA A 21 -1 .034 -4. 896 -5. 953 1 .00 0. 00 0 ATOMO 267 CB ALA A 21 -3 .936 -3. 642 -4. 608 1 .00 0. 00 C ATOMO 268 H ALA A 21 -3 .714 -6. 191 -4. 893 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3 .890 -3. 959 -6. 709 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3 .983 -4. 347 -3. 794 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4 .928 -3. 277 -4. 827 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3 .300 -2. 812 -4. 329 1 .00 0. 00 H ATOMO 273 N THR A 22 -1 .578 -2. 722 -6. 145 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0 .201 -2. 279 -6. 294 1 .00 0. 00 C ATOMO 275 C THR A 22 0 .062 -1. 036 -5. 451 1 .00 0. 00 C ATOMO 276 0 THR A 22 -0 .773 -0. 134 -5. 380 1 .00 0. 00 O ATOMO 277 CB THR A 22 0 .102 -1. 986 -7. 763 1 .00 0. 00 C ATOMO 278 0G1 THR A 22 -0 .148 -3. 126 -8. 564 1 .00 0. 00 O ATOMO 279 CG2 THR A 22 1 .532 -1. 560 -8. 004 1 .00 0. 00 C ATOMO 280 H THR A 22 -2..296 -2.058 -6.163 1.00 0..00 H ATOMO 281 HA THR A 22 0. ,444 -3 .075 -5 .954 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. .542 -1 .187 -8 .099 1 .00 0. ,00 H ATOMO 283 HGl THR A 22 0. .294 -3 .889 -8 .184 1 .00 0. ,00 H ATOMO 284 1HG2 THR A 22 1. .563 -0 .496 -8 .191 1 .00 0. .00 H ATOMO 285 2HG2 THR A 22 1. .925 -2 .087 -8 .860 1 .00 0. .00 H ATOMO 286 3HG2 THR A 22 2. .127 -1 .789 -7 .133 1 .00 0. ,00 H ATOMO 287 N CYS A 23 1. ,230 -0 .995 -4 .819 1 .00 0. ,00 N ATOMO 288 CA CYS A 23 1. , 608 0 .141 -3 .989 1 .00 0. ,00 c ATOMO 289 C CYS A 23 2. .098 1 .284 -4 .875 1 .00 0. ,00 c ATOMO 290 O CYS A 23 3. ,134 1 .169 -5 .530 1 .00 0. .00 0 ATOMO 291 CB CYS A 23 2. .699 -0 .275 -2 .998 1 .00 0. ,00 c ATOMO 292 SG CYS A 23 2. ,836 0 .801 -1 .533 1.00 0. ,00 S ATOMO 293 H CYS A 23 1. .855 -1 .743 -4 .920 1 .00 0. ,00 H ATOMO 294 HA CYS A 23 0, .735 0 .465 -3 .443 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2. .494 -1 .276 -2 .650 1 .00 0. .00 H ATOMO 296 2HB CYS A 23 3. , 654 -0 .266 -3 .503 1 .00 0. ,00 H ATOMO 297 N THR A 24 1. ,334 2 .374 -4 .919 1 .00 0. ,00 N ATOMO 298 CA THR A 24 1. ,681 3 .515 -5 .753 1 .00 0. ,00 c ATOMO 299 C THR A 24 1. 826 4, .798 -4 .937 1 .00 0. ,00 c ATOMO 300 0 THR A 24 1. 252 4 .942 -3 .857 1 .00 0. ,00 0 ATOMO 301 CB THR A 24 0. 616 3 .704 -6 .843 1 .00 0. 00 c ATOMO 302 OGl THR A 24 0. ,647 2 .628 -7 .762 1 .00 0. 00 0 ATOMO 303 CG2 THR A 24 0. 770 4, .988 -7 .638 1 .00 0. 00 c ATOMO 304 H THR A 24 0. 509 2, .403 -4 .396 1 .00 0. 00 H ATOMO 305 HA THR A 24 2. 627 3, .302 -6 .229 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0. 359 3. .721 -6 .376 1 .00 0. 00 H ATOMO 307 HGl THR A 24 -0. 226 2, .230 -7 .821 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 533 5. ,832 -7 .003 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 0. 100 4. .972 -8 .482 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 789 5. .075 -7 .984 1 .00 0. 00 H ATOMO 311 N GLN A 25 2. 587 5, .731 -5 .496 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2. 819 7. .025 -4 .880 1 .00 0. 00 c ATOMO 313 C GLN A 25 1. 581 7. .908 -5 .024 1 .00 0. 00 c ATOMO 314 O GLN A 25 1. 010 8. .024 -6 .108 1 .00 0. 00 0 ATOMO 315 CB GLN A 25 4. 030 7. ,696 -5 .536 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4. 274 9. ,116 -5 .059 1 .00 0. 00 c ATOMO 317 CD GLN A 25 5. 676 9. ,605 -5 .366 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 5. 862 10. ,557 -6 .124 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 6. 672 8. ,953 - .778 1, .00 0. 00 N ATOMO 320 H GLN A 25 2. 993 5. ,545 -6 .365 1, .00 0. 00 H ATOMO 321 HA GLN A 25 3. 026 6. ,875 -3 .832 1, .00 0. 00 H ATOMO 322 1HB GLN A 25 4. 912 7. 111 -5, .320 1, .00 0. 00 H ATOMO 323 2HB GLN A 25 3. 877 7. 720 -6 .605 1, .00 0. 00 H ATOMO 324 1HG GLN A 25 3. 564 9. 766 -5, .546 1. .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 118 9. 151 -3, .992 1, .00 0. 00 H ATOMO 326 1HE2 GLN A 25 6. 450 8. 203 -4, .187 1. .00 0. 00 H ATOMO 327 2HE2 GLN A 25 7. 589 9. 248 -4, .959 1. .00 0. 00 H ATOMO 328 N GLU A 26 1. 177 8. 527 -3. .923 1. .00 0. 00 N ATOMO 329 CA GLU A 26 0. 010 9. 400 -3. .919 1. .00 0. 00 c ATOMO 330 C GLU A 26 0. 156 10. 491 -2. .862 1. .00 0. 00 c ATOMO 331 0 GLU A 26 1. 157 10. 544 -2. .146 1. .00 0. 00 0 ATOMO 332 CB GLU A 26 -1. 259 8. 587 -3. .662 1. .00 0. 00 c ATOMO 333 CG GLU A 26 -1. 393 7. 373 -4. ,566 1. .00 0. 00 c ATOMO 334 CD GLU A 26 -2. 669 6. 595 -4. .312 1. ,00 0. 00 c ATOMO 335 OE1 GLU A 26 -2. 638 5. 351 -4. .425 1. ,00 0. 00 0 ATOMO 336 OE2 GLU A 26 -3. 699 7. 227 -3. .998 1. .00 0. 00 0 ATOMO 337 H GLU A 26 1.677 8.392 -3.094 1.00 0.00 ATOMO 338 HA GLU A 26 -0 .060 9. 865 -4 .891 1 .00 0. .00 ATOMO 339 1HB GLU A 26 -1 .254 8. 249 -2 .637 1 .00 0. 00 ATOMO 340 2HB GLU A 26 -2 .118 9. 222 -3 .819 1 .00 0. 00 ATOMO 341 1HG GLU A 26 -1 .391 7. 704 -5 .594 1 .00 0. 00 ATOMO 342 2HG GLU A 26 -0 .550 6. 721 -4 .397 1 .00 0. 00 ATOMO 343 N ARG A 27 -0 .846 11. 358 -2 .769 1 .00 0. 00 ATOMO 344 CA ARG A 27 -0 .826 12. 447 -1 .800 1 .00 0. 00 ATOMO 345 C ARG A 27 -1 .752 12. 148 -0 .626 1 .00 0. 00 ATOMO 346 O ARG A 27 -2 .807 11. 537 -0 .793 1 .00 0. 00 ATOMO 347 CB ARG A 27 -1 .239 13. 758 -2 .470 1 .00 0. ,00 ATOMO 348 GG ARG A 27 -0 .210 14. 285 -3 .457 1 .00 0. 00 ATOMO 349 CD ARG A 27 0 .926 15. 003 -2 .746 1 .00 0. 00 ATOMO 350 NE ARG A 27 1 .489 16. 080 -3 .559 1 .00 0. 00 ATOMO 351 CZ ARG A 27 2 .662 16. 664 -3 .315 1 .00 0. 00 ATOMO 352 NH1 ARG A 27 3 .408 16. 283 -2 .283 1 .00 0. 00 ATOMO 353 NH2 ARG A 27 3 .093 17. 636 -4 .108 1 .00 0. 00 ATOMO 354 H ARG A 27 -1 .616 11. 264 -3 .368 1 .00 0. 00 ATOMO 355 HA ARG A 27 0 .184 12. 544 -1 .431 1 .00 0. 00 ATOMO 356 1HB ARG A 27 -2 .167 13. 602 -3 .000 1 .00 0. 00 ATOMO 357 2HB ARG A 27 -1 .391 14. 506 -1 .706 1 .00 0. 00 ATOMO 358 1HG ARG A 27 0 .196 13. 457 -4 .016 1 .00 0. .00 ATOMO 359 2HG ARG A 27 -0 .694 14. 976 -4 .132 1 .00 0. 00 ATOMO 360 1HD ARG A 27 0 .550 15. 421 -1 .824 1 .00 0. .00 ATOMO 361 2HD ARG A 27 1 .704 14. 287 -2 .524 1 .00 0. .00 ATOMO 362 HE ARG A 27 0 .964 16. 385 -4 .328 1 .00 0. 00 ATOMO 363 1HH1 ARG A 27 3 .094 15. 552 -1 .680 1 .00 0. 00 ATOMO 364 2HH1 ARG A 27 4 .287 16. 729 -2 .112 1 .00 0. 00 ATOMO 365 1HH2 ARG A 27 2 .538 17. 929 -4 .887 1 .00 0. 00 ATOMO 366 2HH2 ARG A 27 3 .972 18. 077 -3 .928 1 .00 0. 00 ATOMO 367 N ASN A 28 -1 .349 12. 582 0 .565 1 .00 0. 00 ATOMO 368 CA ASN A 28 -2 .142 12. 360 1 .768 1 .00 0. 00 ATOMO 369 C ASN A 28 -2 .831 13. 646 2 .214 1 .00 0. 00 ATOMO 370 O ASN A 28 -2 .765 14. 667 1 .530 1 .00 0. 00 ATOMO 371 CB ASN A 28 -1 .258 11. 820 2 .895 1 .00 0. 00 ATOMO 372 CG ASN A 28 -0 .189 12. 808 3 .321 1 .00 0. 00 ATOMO 373 OD1 ASN A 28 0 .013 13. 837 2 .677 1 .00 0. 00 ATOMO 374 ND2 ASN A 28 0 .503 12. 497 4 .411 1 .00 0. 00 ATOMO 375 H ASN A 28 -0 .497 13. 063 0 .636 1 .00 0. 00 ATOMO 376 HA ASN A 28 -2 .899 11. 625 1 .533 1 .00 0. 00 ATOMO 377 1HB ASN A 28 -1 .874 11. 595 3 .752 1 .00 0. 00 ATOMO 378 2HB ASN A 28 -0 .772 10. 917 2 .559 1 .00 0. 00 ATOMO 379 1HD2 ASN A 28 0 .289 11. 661 4 .874 1 .00 0. 00 ATOMO 380 2HD2 ASN A 28 1 .201 13. 118 4 .709 1 .00 0. 00 ATOMO 381 N GLU A 29 -3 .488 13. 588 3 .368 1 .00 0. 00 ATOMO 382 CA GLU A 29 -4 .186 14. 743 3 .911 1 .00 0. 00 ATOMO 383 C GLU A 29 -3 .201 15. 842 4 .300 1 .00 0. 00 ATOMO 384 O GLU A 29 -3 .524 17. 028 4 .243 1 .00 0. 00 ATOMO 385 CB GLU A 29 -5 .013 14. 329 5 .128 1 .00 0. 00 ATOMO 386 CG GLU A 29 -4 .183 13. 737 6. .255 1 .00 0. 00 ATOMO 387 CD GLU A 29 -4 .999 12. 856 7 .181 1, .00 0. 00 ATOMO 388 OE1 GLU A 29 -5 .413 11. 761 6 .746 1 .00 0. 00 ATOMO 389 OE2 GLU A 29 -5 .223 13. 261 8 .341 1 .00 0. 00 ATOMO 390 H GLU A 29 -3 .503 12. 746 3, .868 1 .00 0. 00 ATOMO 391 HA GLU A 29 -4 .849 15. 121 3, .147 1. .00 0. 00 ATOMO 392 1HB GLU A 29 -5 .530 15. 194 5, .506 1 .00 0. 00 ATOMO 393 2HB GLU A 29 -5 .740 13. 592 4, .820 1 .00 0. 00 ATOMO 394 1HG GLO A 29 -3.388 13.144 5.828 1.00 0.00 H ATOMO 395 2HG GLU A 29 -3 .757 14. 545 6. 833 1 .00 0. 00 H ATOMO 396 N ASN A 30 -1 .997 15. 439 4. 698 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -0 .968 16. 391 5. 099 1 .00 0. 00 C ATOMO 398 C ASN A 30 -0 .368 17. 092 3. 883 1 .00 0. 00 C ATOMO 399 0 ASN A 30 0 .077 18. 237 3. 973 1 .00 0. 00 0 ATOMO 400 CB ASN A 30 0 .135 15. 680 5. 885 1 .00 0. 00 c ATOMO 401 CG ASN A 30 -0 .417 14. 838 7. 020 1 .00 0. 00 c ATOMO 402 OD1 ASN A 30 -1 .412 15. 197 7. 6 8 1 .00 0. 00 0 ATOMO 403 ND2 ASN A 30 0 .230 13. 709 7. 287 1 .00 0. 00 N ATOMO 404 H ASN A 30 -1 .798 14. 480 4. 725 1 .00 0. 00 H ATOMO 405 HA ASN A 30 -1 .430 17. 131 5. 733 1 .00 0. 00 H ATOMO 406 1HB ASN A 30 0 .686 15. 034 5. 219 1 .00 0. 00 H ATOMO 407 2HB ASN A 30 0 .804 16. 418 6. 302 1 .00 0. 00 H ATOMO 408 ÍHD2 ASN A 30 1 .015 13. 486 6. 746 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0 .105 13. 145 8. 016 1 .00 0. 00 H ATOMO 410 N GLY A 31 -0 .359 16. 401 2. 747 1 .00 0. 00 N ATOMO 411 CA GLY A 31 0 .188 16. 980 1. 533 1 .00 0. 00 c ATOMO 412 C GLY A 31 1 .555 16. 424 1. 160 1 .00 0. 00 c ATOMO 413 O GLY A 31 2 .173 16. 890 0. 201 1 .00 0. 00 0 ATOMO 414 H GLY A 31 -0 .727 15. 491 2. 731 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0 .495 16. 788 0. 719 1 .00 0. 00 H ATOMO 416 2HA GLY A 31 0 .273 18. 049 1. 666 1 .00 0. 00 H ATOMO 417 N HIS A 32 2 .034 15. 430 1. 907 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3 .332 14. 826 1. 628 1 .00 0. 00 c ATOMO 419 C HIS A 32 3 .170 13. 572 0. 778 1 .00 0. 00 c ATOMO 420 O HIS A 32 2 .102 12. 961 0. 755 1 .00 0. 00 0 ATOMO 421 CB HIS A 32 4 .051 14. 483 2. 935 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5 .538 14. 627 2. 854 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 6 .215 15. 728 3. 339 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 6 .482 13. 804 2. 341 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 7 .510 15. 574 3. 126 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 7 .698 14. 415 2. 522 1 .00 0. 00 N ATOMO 427 H HIS A 32 1 .505 15. 091 2. 657 1 .00 0. 00 H ATOMO 428 HA HIS A 32 3 .922 15. 545 1. 081 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3 .696 15. 138 3. 716 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 3 .B28 13. 60 3. 201 1 .00 0. 00 H ATOMO 431 HD1 HIS A 32 5 .807 16. 505 3. 773 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 6 .310 12. 845 1. 874 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 8 .284 16. 276 3. 400 1 .00 0. 00 H ATOMO 43 HE2 HIS A 32 8 .556 14. 092 2. 176 1 .00 0. 00 H ATOMO 435 N THR A 33 4 .233 13. 192 0. 074 1 .00 0. 00 N ATOMO 436 CA THR A 33 4 .193 12. 009 -0. 777 1 .00 0. 00 c ATOMO 437 C THR A 33 4 .067 10. 740 0. 058 1 .00 0. 00 c ATOMO 438 O THR A 33 4 .835 10. 519 0. 994 1 .00 0. 00 0 ATOMO 439 CB THR A 33 5 .447 11. 930 -1. 651 1 .00 0. 00 c ATOMO 440 0G1 THR A 33 5 .597 13. 111 -2. 419 1 .00 0. 00 0 ATOMO 441 CG2 THR A 33 5 .432 10. 756 -2. 609 1 .00 0. 00 c ATOMO 442 H THR A 33 5 .058 13. 717 0. 129 1 .00 0. 00 H ATOMO 443 HA THR A 33 3 .327 12. 091 -1. 416 1 .00 0. 00 H ATOMO 444 HB THR A 33 6 .313 11. 826 -1. 013 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 6 .217 13. 700 -1. 983 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6 .440 10. 538 -2. 928 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4 .826 11. 000 -3. 469 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 5 .017 9. 891 -2. 111 1 .00 0. 00 H ATOMO 449 N VAL A 34 3 .092 9. 913 -0. 293 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2 .855 8. 662 0. 414 1 .00 0. 00 c ATOMO 451 C VAL A 34 2.614 7.525 -0.568 1.00 0.00 C ATOMO 452 O VAL A 34 2.523 7.744 -1.774 1 .00 0 .00 o ATOMO 453 CB VAL A 34 1.645 8.774 1.362 1 .00 0 .00 C ATOMO 454 CG1 VAL A 34 1.925 9.779 2.469 1 .00 0 .00 c ATOMO 455 CG2 VAL A 34 0.391 9.160 0.590 1 .00 0 .00 c ATOMO 456 H VAL A 34 2.515 10.147 -1.050 1 .00 0 .00 H ATOMO 457 HA VAL A 34 3.730 8.435 1.004 1 .00 0 .00 H ATOMO 458 HB VAL A 34 1.479 7.809 1.818 1 .00 0 .00 H ATOMO 459 1HG1 VAL A 34 2.968 9.728 2.747 1 .00 0 .00 H ATOMO 460 2HG1 VAL A 34 1.312 9.550 3.329 1 .00 0 .00 H ATOMO 461 3HG1 VAL A 34 1.695 10.775 2.118 1 .00 0 .00 H ATOMO 462 1HG2 VAL A 34 0.335 10.235 0.508 1 .00 0 .00 H ATOMO 463 2HG2 VAL A 34 0.480 8.793 1.111 1 .00 0 .00 H ATOMO 464 3HG2 VAL A 34 0.430 8.726 -0.399 1 .00 0 .00 H ATOMO 465 N TYR A 35 2.512 6.312 -0.047 1 .00 0 .00 N ATOMO 466 CA TYR A 35 2.277 5.140 -0.882 1 .00 0 .00 C ATOMO 467 C TYR A 35 0.956 4.475 -0.510 1 .00 0 .00 C ATOMO 468 0 TYR A 35 0.718 4.161 0.656 1 .00 0 .00 O ATOMO 469 CB TYR A 35 3.427 4.143 -0.736 1 .00 0 .00 C ATOMO 470 CG TYR A 35 4.795 4.783 -0.797 1 .00 0 .00 C ATOMO 471 CD1 TYR A 35 5.385 5.090 -2.017 1 .00 0 .00 c ATOMO 472 CD2 TYR A 35 5.497 5.081 0.3.65 1 .00 0 .00 c ATOMO 473 CE1 TYR A 35 6.637 5.676 -2.077 1 .00 0 .00 c ATOMO 474 CE2 TYR A 35 6.748 5.666 0.312 1 .00 0 .00 c ATOMO 475 CZ TYR A 35 7.313 5.961 -0.910 1 .00 0 .00 c ATOMO 476 OH TYR A 35 8.559 6.544 0.965 1 .00 0 .00 o ATOMO 477 H TYR A 35 2.594 6.202 0.924 1 .00 0 .00 H ATOMO 478 HA TYR A 35 2.223 5.468 -1.909 1 .00 0 .00 H ATOMO 479 1HB TYR A 35 3.340 3.637 0.213 1 .00 0 .00 H ATOMO 480 2HB TYR A 35 3.366 3.417 1.533 1 .00 0 .00 H ATOMO 481 HD1 TYR A 35 4.853 4.866 2.929 1 .00 0 .00 H ATOMO 482 HD2 TYR A 35 5.052 4.847 1.321 1 .00 0 .00 H ATOMO 483 HE1 TYR A 35 7.078 5.907 3.034 1 .00 0 .00 H ATOMO 484 HE2 TYR A 35 7.278 5.889 1.227 1 .00 0. .00 H ATOMO 485 HH TYR A 35 8.486 7.418 1.354 1 .00 0 .00 H ATOMO 486 N TYR A 36 0.094 4.271 1.502 1 .00 0 .00 N ATOMO 487 CA TYR A 36 1.206 3.651 1.267 1 .00 0 .00 C ATOMO 488 C TYR A 36 1.401 2.417 2.143 1 .00 0 .00 C ATOMO 489 O TYR A 36 0.650 2.188 3.092 1. .00 0, .00 O ATOMO 490 CB TYR A 36 2.328 4.660 1.528 1, .00 0, .00 c ATOMO 491 CG TYR A 36 2.791 5.386 0.284 1. .00 0, .00 c ATOMO 492 CD1 TYR A 36 1.926 6.209 0.424 1, .00 0, .00 c ATOMO 493 CD2 TYR A 36 4.093 5.248 0.179 1. .00 0. .00 c ATOMO 494 CE1 TYR A 36 2.345 6.875 1.561 1. .00 0, .00 c ATOMO 495 CE2 TYR A 36 4.519 5.910 1.316 1, .00 0, ,00 c ATOMO 496 CZ TYR A 36 3.641 6.722 2.002 1. .00 0. .00 c ATOMO 497 OH TYR A 36 4.063 7.382 3.133 1. .00 0. .00 o ATOMO 498 H TYR A 36 0.334 4.551 2.411 1. .00 0, .00 H ATOMO 499 HA TYR A 36 1.245 3.347 0.233 1. .00 0, .00 H ATOMO 500 1HB TYR A 36 1.979 5.399 2.232 1. .00 0, ,00 H ATOMO 501 2HB TYR A 36 3.179 4.144 1.947 1. ,00 0. ,00 H ATOMO 502 HD1 TYR A 36 0.910 6.329 0.076 1. ,00 0. ,00 H ATOMO 503 HD2 TYR A 36 4.778 4.611 0.360 1. ,00 0. ,00 H ATOMO 504 HE1 TYR A 36 1.657 7.511 2.099 1. .00 0. ,00 H ATOMO 505 HE2 TYR A 36 5.536 5.789 1.661 1. 00 0. 00 H ATOMO 506 HH TYR A 36 4.954 7.713 2.999 1. ,00 0. ,00 H ATOMO 507 N CYS A 37 2.415 1.625 1.811 1. ,00 0. ,00 N ATOMO 508 CA CYS A 37 -2.717 0.404 -2.559 1.00 0.00 c ATOMO 509 C CYS A 37 -3 .875 0 .636 -3 .523 1 .00 0 .00 c ATOMO 510 0 CYS A 37 -4 .898 1 .212 -3 .157 1 .00 0 .00 0 ATOMO 511 CB CYS A 37 -3 .063 -0 .738 -1 .598 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1 .611 -1 .532 -0 .841 1 .00 0 .00 S ATOMO 513 H CYS A 37 -2 .968 1 .862 -1 .037 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1 .840 0 .132 -3 .126 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3 .686 -0 .356 -0 .802 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3 .608 -1 .497 -2 .133 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3 .698 0 .186 -4 .762 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 .719 0 .346 -5 .786 1.00 0 .00 c ATOMO 519 C ARG A 38 -4 .993 -0 .976 -6 .490 1 .00 0 .00 c ATOMO 520 O ARG A 38 -4 .075 -1 .639 -6 .973 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4 .284 1 .399 -6 .807 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -4 .070 2 .776 -6 .203 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5 .390 3 .488 -5 .962 1 .00 0 .00 c ATOMO 524 NE ARG A 38 -5 .286 4 .926 -6 .206 1 .00 0 .00 N ATOMO 525 cz ARG A 38 -6 .283 5 .790 -6 .021 1 .00 0 .00 c ATOMO 526 NH1 ARG A 38 -7 .467 5 .374 -5 .584 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -6 .094 7 .078 -6 .271 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .859 -0 .261 -4 .993 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .627 0 .678 -5 .304 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .358 1 .081 -7 .263 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .043 1 .479 -7 .571 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .553 2 .668 -5 .261 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .470 3 .365 -6 .880 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .134 3 .073 -6 .625 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .691 3 .326 -4 .937 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4 .424 5 .265 -6 .527 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .619 4 .405 -5 .392 1 .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -8 .208 6 .032 -5 .450 1 .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5 .205 7 .399 -6 .598 1 .00 0 .00 H ATOMO 540 2HH2 ARG A 38 -6 .840 7 .729 -6 .132 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6 .264 -1 .353 -6 .543 1 .00 0 .00 N ATOMO 542 CA ALA A 39 -6 .666 -2 .598 -7 .187 1 .00 0 .00 c ATOMO 543 C ALA A 39 -6 .529 -2 .500 -8 .702 1 .00 0 .00 c ATOMO 544 0 ALA A 39 -6 .904 -1 .449 -9 .263 1 .00 0 .00 o ATOMO 545 CB ALA A 39 -8, .096 -2 .951 -6 .805 1 .00 0 .00 c ATOMO 546 OXT ALA A 39 -6 .048 -3 .477 -9 .316 1 .00 0 .00 0 ATOMO 547 H ALA A 39 -6, .947 -0 .779 -6 .139 1 .00 0 .00 H ATOMO 548 HA ALA A 39 -6, .017 -3 .382 -6, .825 1 .00 0 .00 H ATOMO 549 1HB ALA A 39 -8, .089 -3 .594 -5, .938 1 .00 0 .00 H ATOMO 550 2HB ALA A 39 -8, .572 -3 .461 -7, .629 1 .00 0 .00 H ATOMO 551 3HB ALA A 39 -8, .642 -2 .046 -6, .579 1 .00 0, .00 H TER 552 ALA A 39 ENDMDL MODELO 21 ATOMO 1 N GLY A 1 0. .290 -15 .373 4. .264 1 .00 0, .00 N ATOMO 2 CA GLY A 1 -1, .156 -15 .063 4. .093 1 .00 0, .00 c ATOMO 3 C GLY A 1 -1. .523 -13. .696 4. .634 1, .00 0, ,00 c ATOMO 4 0 GLY A 1 -2. .445 -13. .567 5, .441 1 .00 0, .00 0 ATOMO 5 1H GLY A 1 0. .833 -14, .494 4. .386 1, .00 0, .00 H ATOMO 6 2H GLY A 1 0. .650 -15, .876 3. .429 1, .00 0. .00 H ATOMO 7 3H GLY A 1 0. .430 -15, .972 5. .104 1, .00 0. .00 H ATOMO 8 1HA GLY A 1 -1. .398 -15. .098 3. ,041 1, .00 0. .00 H ATOMO 9 2HA GLY A 1 -1. ,737 -15. .811 4. ,610 1, .00 0, ,00 H ATOMO 10 N SER A 2 -0. .802 -12. .671 4. ,189 1, .00 0. .00 N ATOMO 11 CA SER A 2 1.058 -11.305 4.635 1.00 0.00 c ATOMO 12 C SER A 2 0. 775 -10 .305 3 .520 1 .00 0 .00 c ATOMO 13 0 SER A 2 0. 203 -10 .440 2 .783 1 .00 0 .00 o ATOMO 14 CB SER A 2 0. 201 -10 .977 5 .859 1 .00 0 .00 c ATOMO 15 OG SER A 2 0. 555 -9 .719 6 .406 1 .00 0 .00 o ATOMO 16 H SER A 2 0. 081 -12 .836 3 .547 1 .00 0 .00 H ATOMO 17 HA SER A 2 2. 101 -11 .237 4 .908 1 .00 0 .00 H ATOMO 18 1HB SER A 2 •0. 348 -11 .736 6 .612 1 .00 0 .00 H ATOMO 19 2HB SER A 2 0. 839 -10 .953 5 .571 1 .00 0 .00 H ATOMO 20 HG SER A 2 0. 059 -9 .050 6 .093 1 .00 0 .00 H ATOMO 21 N CYS A 3 ¦1. 637 -9 .301 3 .401 1 .00 0 .00 N ATOMO 22 CA CYS A 3 1. 482 -8 .274 2 .379 1 .00 0 .00 C ATOMO 23 C CYS A 3 •2. 111 -6 .963 2 .833 1 .00 0 .00 C ATOMO 24 0 CYS A 3 ¦2. 843 -6 .923 3 .823 1 .00 0 .00 O ATOMO 25 CB CYS A 3 •2. 118 -8 .730 1 .062 1 .00 0 .00 C ATOMO 26 SG CYS A 3 ¦3. 895 -9 .123 1 .183 1 .00 0 .00 S ATOMO 27 H CYS A 3 •2. 395 -9 .245 4 .019 1 .00 0 .00 H ATOMO 28 HA CYS A 3 ¦0. 425 -8 .118 2 .223 1 .00 0 .00 H ATOMO 29 1HB CYS A 3 •2. 006 -7 .945 0 .329 1 .00 0 .00 H ATOMO 30 2HB CYS A 3 •1. 608 -9 .615 0 .713 1 .00 0 .00 H ATOMO 31 N VAL A 4 •1. 825 -5 .894 2 .102 1 .00 0 .00 N ATOMO 32 CA VAL A 4 2. 362 -4 .583 2 .419 1 .00 0 .00 C ATOMO 33 C VAL A 4 •3. 708 -4 .368 1 .720 1 .00 0 .00 C ATOMO 34 0 VAL A 4 •3. 824 -4 .604 0 .522 1 .00 0 .00 O ATOMO 35 CB VAL A 4 •1. 376 -3 .482 1 .988 •1 .00 0 .00 C ATOMO 36 CG1 VAL A 4 1. 936 -2 .098 2 .277 1 .00 0 .00 C ATOMO 37 CG2 VAL A 4 0. 038 -3 .680 2 .680 1 .00 0 .00 C ATOMO 38 H VAL A 4 1. 239 -5 .989 1 .325 1 .00 0 .00 H ATOMO 39 HA VAL A 4 2. 493 -4 .525 3 .487 1 .00 0 .00 H ATOMO 40 HB VAL A 4 •1. 221 -3 .568 0 .924 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 1. 149 -1 .365 2 .188 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 2. 342 -2 .076 3 .275 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 2. 719 -1 .874 1 .565 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0. 102 -4 .731 2 .893 1 .00 0 .00 H ATOMO 45 2HG2 VAL A 4 0. 024 -3 .122 3 .604 1 .00 0 .00 H ATOMO 46 3HG2 VAL A 4 0. 755 -3 .334 2 .037 1 .00 0 .00 H ATOMO 47 N PRO A 5 4. 747 -3 .907 2 .442 1 .00 0 .00 N ATOMO 48 CA PRO A 5 6. 059 -3 .673 1 .838 1 .00 0 .00 C ATOMO 49 C PRO A 5 6. 020 -2 .536 0 .822 1 .00 0 .00 C ATOMO 50 O PRO A 5 5. 417 -1 .483 1 .065 1 .00 0 .00 O ATOMO 51 CB PRO A 5 6. 962 -3 .303 3 .024 1 .00 0 .00 C ATOMO 52 CG PRO A 5 6. 188 -3 .664 4 .248 1.00 0 .00 C ATOMO 53 CD PRO A 5 4. 738 -3 .569 3 .874 1 .00 0 .00 C ATOMO 54 HA PRO A 5 6. 435 -4 .568 1 .358 1 .00 0 .00 H ATOMO 55 1HB PRO A 5 7. 183 -2 .247 2 .995 1 .00 0 .00 H ATOMO 56 2HB PRO A 5 7. 883 -3 .866 2 .963 1 .00 0 .00 H ATOMO 57 1HG PRO A 5 6. 416 -2 .969 5 .044 1 .00 0 .00 H ATOMO 58 2HG PRO A 5 6. 431 -4 .672 4 .552 1 .00 0 .00 H ATOMO 59 1HD PRO A 5 4. 370 -2 .565 4 .033 1 .00 0 .00 H ATOMO 60 2HP PRO A 5 4. 155 -4 .280 4, .437 1 .00 0 .00 H ATOMO 61 N VAL A 6 6. 675 -2 .740 -0. .316 1 .00 0 .00 N ATOMO 62 CA VAL A 6 6. 717 -1 .729 -1, .353 1 .00 0 .00 C ATOMO 63 C VAL A 6 7. 325 -0 .452 -0, .806 1 .00 0, .00 C ATOMO 64 0 VAL A 6 8. 143 -0 .486 0, .112 1 .00 0 .00 O ATOMO 65 CB VAL A 6 7. 505 -2 .220 -2, .582 1, .00 0, .00 C ATOMO 66 CG1 VAL A 6 7. 586 -1 .143 -3, .653 1 .00 0 .00 C ATOMO 67 CG2 VAL A 6 6. 854 -3 473 -3, .138 1 .00 0, .00 C ATOMO 68 H VAL A 6 -7.149 -3.581 -0.455 1.00 0.00 H ATOMO 69 HA VAL A 6 -5 .700 -1 .527 -1 .659 1 .00 0. 00 H ATOMO 70 HB VAL A 6 -8 .507 -2 .467 -2 .271 1 .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8 .127 -0 .292 -3 .264 1 .00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8 .100 -1 .534 -4 .517 1 .00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6 .588 -0 .839 -3 .931 1 .00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5 .801 -3 .466 -2 .895 1 .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -6 .975 -3 .497 -4 .210 1 .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7 .318 -4 .343 -2 .701 1 .00 0. 00 H ATOMO 77 N ASP A 7 -6 .885 0 .674 -1 .350 1 .00 0. 00 N ATOMO 78 CA ASP A 7 -7 .334 1 .980 -0 .909 1 .00 0. 00 c ATOMO 79 C ASP A 7 -6 .711 2 .344 0 .441 1 .00 0. 00 c ATOMO 80 0 ASP A 7 -7 .036 3 .384 1 .013 1 .00 0. 00 o ATOMO 81 CB ASP A 7 -8 .861 2 .039 -0 .827 1 .00 0. 00 c ATOMO 82 CG ASP A 7 -9 .527 1 .527 -2 .088 1 .00 0. 00 c ATOMO 83 0D1 ASP A 7 -10 .179 0 .463 -2 .026 1 .00 0. 00 0 ATOMO 84 0D2 ASP A 7 -9 .399 2 .189 -3 .139 1 .00 0. 00 o ATOMO 85 H ASP A 7 -6 .215 0 .626 -2 .048 1 .00 0. 00 H ATOMO 86 HA ASP A 7 -7 .001 2 .700 -1 .641 1 .00 0. 00 H ATOMO 87 1HB ASP A 7 -9 .194 1 .437 0 .003 1 .00 0. 00 H ATOMO 88 2KB ASP A 7 -9 .160 3 .059 -0 .673 1 .00 0. 00 H ATOMO 89 N GLN A 8 -5 .798 1 .497 0 .949 1 .00 0. 00 N ATOMO 90 CA GLN A 8 -5 .143 1 .772 2 .216 1 .00 0. 00 c ATOMO 91 C GLN A 8 -3 .651 2 .012 2 .001 1 .00 0. 00 c ATOMO 92 0 GLN A 8 -3 .081 1 .547 1 .014 1 .00 0. 00 o ATOMO 93 CB GLN A 8 -5 .351 0 .620 3 .201 1 .00 0. 00 c ATOMO 94 CG GLN A 8 -6 .802 0 .196 3 .345 1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7 .700 1 .329 3 .799 1 .00 0. 00 c ATOMO 96 0E1 GLN A 8 -7 .741 2 .392 3 .180 1 .00 0. 00 o ATOMO 97 NE2 GLN A 8 -8 .427 1 .109 4 .889 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5 .552 0 .680 0 .460 1 .00 0. 00 H ATOMO 99 HA GLN A 8 -5 .582 2 .669 2 .623 1 .00 0. 00 H ATOMO 100 1HB GLN A 8 -4 .780 -0 .230 2 .866 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -4 .990 0 .925 4 .173 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7 .156 -0 .162 2 .390 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -6 .859 -0 .602 4 .071 1 .00 0. 00 H ATOMO 104 1HE2 GLN A 8 -8 .344 0 .239 5 .332 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9 .017 1 .824 5 .205 1 .00 0. 00 H ATOMO 106 N PRO A 9 -2 .993 2 .752 2 .912 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1 .566 3 .050 2 .787 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0 .683 1 .818 2 .909 1 .00 0. 00 c ATOMO 109 0 PRO A 9 -0 .937 0 .927 3 .719 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1 .284 .017 3 .935 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2 .386 3 .798 4 .914 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3 .583 3 .368 4 .117 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1 .354 3 .541 1 .849 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0 .320 3 .792 4 .370 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1 .282 5 .025 3 .556 1 .00 0. 00 H ATOMO 116 1HG PRO A 9 -2 .107 3 .025 5 .614 1 .00 0. 00 H ATOMO 117 2HG PRO A 9 -2 .600 4 .717 5 .437 1 .00 0. 00 H ATOMO 118 1HD PRO A 9 -4 .164 2 .647 4 .672 1 .00 0. 00 H ATOMO 119 2HD PRO A 9 -4 .191 .220 3 .853 1 .00 0. 00 H ATOMO 120 N CYS A 10 0 .365 1 .792 2 .098 1 .00 0. 00 N ATOMO 121 CA CYS A 10 1 .318 0. .691 2 .098 1 .00 0. 00 c ATOMO 122 C CYS A 10 2 .744 1, .220 2 .190 1 .00 0. 00 c ATOMO 123 0 CYS A 10 2 .966 2. .427 2 .288 1. .00 0. 00 o ATOMO 124 CB CYS A 10 1 .158 -0. .155 0 .834 1 .00 0. 00 c ATOMO 125 SG CYS A 10 1.035 0.817 -0.702 1.00 0.00 s ATOMO 126 H CYS A 10 0. 504 2.543 1. 487 1. 00 0. 00 H ATOMO 127 HA CYS A 10 1. 116 0.076 2. 962 1. 00 0. 00 H ATOMO 128 1HB CYS A 10 2. 008 -0.812 0.738 1. 00 0. 00 H ATOMO 129 2HB CYS A 10 0. 261 -0.748 0. 920 1. 00 0. 00 H ATOMO 130 N SER A 11 3, 706 0.308 2. 157 1. 00 0. 00 N ATOMO 131 CA SER A 11 5. 116 0.676 2. 233 1. 00 0. 00 c ATOMO 132 C SER A 11 5. 950 -0.173 1. 279 1. 00 0. 00 c ATOMO 133 O SER A 11 5. 522 -1.2 5 0. 850 1. 00 0. 00 0 ATOMO 134 CB SER A 11 5. 632 0.513 3. 663 1. 00 0. 00 c ATOMO 135 OG SER A 11 6. 567 1.527 3. 987 1. 00 0. 00 0 ATOMO 136 H SER A 11 3. 461 -0.634 2. 076 1. 00 0. 00 H ATOMO 137 HA SER A 11 5. 203 1.713 1. 944 1. 00 0. 00 H ATOMO 138 1HB SER A 11 4. 803 0.573 4. 353 1. 00 0. 00 H ATOMO 139 2HB. SER A 11 6. 114 -0.449 3. 763 1. 00 0. 00 H ATOMO 140 HG SER A 11 6. 109 2.270 4. 388 1. 00 0. 00 H ATOMO 141 N . LEU A 12 7. 142 0.313 0. 950 1. 00 0. 00 N ATOMO 142 CA LEU A 12 8. 036 -0.402 0. 044 1. 00 0. 00 c ATOMO 143 C LEU A 12 8. 755 -1.556 0. 748 1. 00 0. 00 c ATOMO 144 0 LEU A 12 9. 312 -2.436 0. 092 1. 00 0. 00 0 ATOMO 145 CB LEU A 12 9. 062 0.555 -0. 575 1. 00 0. 00 c ATOMO 146 CG LEU A 12 9. 693 1.569 0. 384 1. 00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 279 0.874 1. 603 1. 00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 763 2.374 -0. 334 1. 00 0. 00 c ATOMO 149 H LEO A 12 7. 426 1.172 1. 324 1. 00 0. 00 H ATOMO 150 HA LEU A 12 7. 430 -0.814 -0. 749 1. 00 0. 00 H ATOMO 151 1HB LEU A 12 9. 855 -0.038 -1. 007 1. 00 0. 00 H ATOMO 152 2HB LEU A 12 8. 575 1.101 -1. 369 1. 00 0. 00 H ATOMO 153 HG LEU A 12 8. 934 2.258 0. 723 1. 00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 064 1.486 2. 023 1. 00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 686 -0.083 1. 311 1. 00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 505 0.727 2. 340 1. 00 0. 00 H ATOMO 157 1HD2 LEU A 12 11. 331 1.722 -0. 980 1. 00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 423 2.823 0. 394 1. 00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 295 3.149 -0. 923 1. 00 0. 00 H ATOMO 160 N ASN A 13 8. 745 -1.552 2. 082 1. 00 0. 00 N ATOMO 161 CA ASN A 13 9. 401 -2.602 2. 852 1. 00 0. 00 c ATOMO 162 C ASN A 13 8. 388 -3.513 3. 551 1. 00 0. 00 c ATOMO 163 0 ASN A 13 8. 764 -4.328 4. 394 1. 00 0. 00 0 ATOMO 164 CB ASN A 13 10. 341 -1.984 3. 888 1. 00 0. 00 c ATOMO 165 CG ASN A 13 11. 698 -1.639 3. 306 1. 00 0. 00 c ATOMO 166 OD1 ASN A 13 12. 316 -2.449 2. 616 1. 00 0. 00 0 ATOMO 167 ND2 ASN A 13 12. 169 -0.428 3. 582 1. 00 0. 00 N ATOMO 168 H ASN A 13 8. 290 -0.831 2. 559 1. 00 0. 00 H ATOMO 169 HA ASN A 13 9. 984 -3.196 2. 166 1. 00 0. 00 H ATOMO 170 1HB ASN A 13 9. 896 -1.080 4. 275 1. 00 0. 00 H ATOMO 171 2HB ASN A 13 10. 485 -2.685 4. 698 1. 00 0. 00 H ATOMO 172 1HD2 ASN A 13 11. 623 0.166 4. 139 1. 00 0. 00 H ATOMO 173 2HD2 ASN A 13 13. 045 -0.178 3. 219 1. 00 o . 00 H ATOMO 174 N THR A 14 7. 107 -3.379 3. 205 1. 00 0. 00 N ATOMO 175 CA THR A 14 6. 066 -4.198 3. 815 1. 00 0. 00 c ATOMO 176 C THR A 14 5. 497 -5.194 2. 810 1. 00 0. 00 c ATOMO 177 O THR A 14 5. 984 -5.307 1. 685 1. 00 0. 00 0 ATOMO 178 CB THR A 14 4. 947 -3.312 4. 362 1. 00 0. 00 c ATOMO 179 OG1 THR A 14 4. 279 -2.638 3. 310 1. 00 0. 00 0 ATOMO 180 CG2 THR A 14 5. 436 -2.266 5. 340 1. 00 0. 00 c ATOMO 181 H THR A 14 6. 852 -2.720 2. 530 1. 00 0. 00 H ATOMO 182 HA THR A 14 6.512 -4.745 4.632 1.00 0.00 ATOMO 183 HB THR A 14 4 .228 -3 .935 4. 876 1 .00 0. 00 ATOMO 184 HG1 THR A 14 3 .345 -2 .856 3. 332 1 .00 0. 00 ATOMO 185 1HG2 THR A 14 5 .392 -2 .663 6. 344 1 .00 0. 00 ATOMO 186 2HG2 THR A 14 4 .809 -1 .369 5. 272 1 .00 0. 00 ATOMO 187 3HG2 THR A 14 6 .455 -2 .000 5. 102 1 .00 0. 00 ATOMO 186 N GLN A 15 4 .464 -5 .917 3. 227 1 .00 0. 00 ATOMO 189 CA GLN A 15 3 .822 -6 .907 2. 375 1 .00 0. 00 ATOMO 190 C GLN A 15 3 .075 -6 .237 1. 220 1 .00 0. 00 ATOMO 191 0 GLN A 15 2 .699 -5 .068 1. 315 1 .00 0. 00 ATOMO 192 CB GLN A 15 2 .851 -7 .749 3. 203 1 .00 0. 00 ATOMO 193 CG GLN A 15 3 .524 -8 .532 4. 318 1 .00 0. 00 ATOMO 194 CD GLN A 15 4 .303 -9 .726 3. 803 1 .00 0. 00 ATOMO 195 OE1 GLN A 15 3 .795 -10 .521 3. 011 1 .00 0. 00 ATOMO 196 NE2 GLN A 15 5 .546 -9 .860 4. 251 1 .00 0. 00 ATOMO 197 H GLN A 15 4 .124 -5 .781 4. 135 1 .00 0. 00 ATOMO 198 HA GLN A 15 4.590 -7 .548 1. 971 1 .00 0. 00 ATOMO 199 1HB GLN A 15 2 .114 -7 .096 3. 645 1 .00 0. 00 ATOMO 200 2HB GLN A 15 2 .354 -8 .447 2. 551 1 .00 0. 00 ATOMO 201 1HG GLN A 15 4 .204 -7 .877 4. 841 1 .00 0. 00 ATOMO 202 2HG GLN A 15 2 .765 -8 .883 5. 001 1 .00 0. 00 ATOMO 203 1HE2 GLN A 15 5 .885 -9 .189 4. 881 1 .00 0. 00 ATOMO 204 2HE2 GLN A 15 6 .073 -10 .622 3. 934 1 .00 0. 00 ATOMO 205 N PRO A 16 2 .843 -6 .966 0. 106 .1 .00 0. 00 ATOMO 206 CA PRO A 16 2 .131 -6 .418 -1. 053 1 .00 0. 00 ATOMO 207 C RO A 16 0 .687 -6 .062 -0. 720 1 .00 0. 00 ATOMO 208 0 RO A 16 0 .259 -6 .183 0. 427 1 .00 0. 00 ATOMO 209 CB PRO A 16 2 .179 -7 .552 -2. 083 1 .00 0. 00 ATOMO 210 CG PRO A 16 2 .405 -8 .788 -1. 282 1 .00 0. 00 ATOMO 211 CD PRO A 16 3 .244 -8 .370 -0. 109 1 .00 0. 00 ATOMO 212 HA PRO A 16 2 .631 -5 .547 -1. 449 1 .00 0. 00 ATOMO 213 1HB PRO A 16 1 .242 -7 .596 -2. 619 1 .00 0. 00 ATOMO 214 2HB PRO A 16 2 .989 -7 .379 -2. 775 1 .00 0. 00 ATOMO 215 1HG PRO A 16 1 .459 -9 .185 -0. 945 1 .00 0. 00 ATOMO 216 2HG PRO A 16 2 .931 -9 .521 -1. 877 1 .00 0. 00 ATOMO 217 1HD PRO A 16 3 .015 -8 .976 0. 755 1.00 0.00 ATOMO 218 2HD PRO A 16 4 .294 -8 .438 -0. 352 1 .00 0. 00 ATOMO 219 N CYS A 17 -0 .059 -5 .622 -1. 726 1 .00 0. 00 ATOMO 220 CA CYS A 17 -1 .454 -5 .248 -1. 530 1 .00 0. 00 ATOMO 221 C CYS A 17 -2 .376 -6 .448 -1. 721 1 .00 0. 00 ATOMO 222 o CYS A 17 -1 .931 -7 .547 -2. 050 1 .00 0. 00 ATOMO 223 CB CYS A 17 -1 .848 -4 .124 -2. 490 1 .00 0. 00 ATOMO 224 SG CYS A 17 -0 .784 -2 .648 -2. 388 1 .00 0. 00 ATOMO 225 H CYS A 17 0 .337 -5 .545 -2. 619 1 .00 0. 00 ATOMO 226 HA CYS A 17 -1 .560 -4 .892 -0. 518 1 .00 0. 00 ATOMO 227 1HB CYS A 17 -1 .802 -4 .492 -3. 505 1 .00 0. 00 ATOMO 228 2HB CYS A 17 -2 .859 -3 .814 -2. 270 1 .00 0. 00 ATOMO 229 N CYS A 18 -3 .663 -6 .219 -1. 500 1 .00 0. 00 ATOMO 230 CA CYS A 18 -4 .671 -7 .262 -1. 630 1 .00 0. 00 ATOMO 231 C CYS A 18 -5 .456 -7 .097 -2. 926 1 .00 0. 00 ATOMO 232 o CYS A 18 -5 .386 -6 .056 -3. 578 1 .00. 0. 00 ATOMO 233 CB CYS A 18 -5 .627 -7 .216 -0. 435 1 .00 0. 00 ATOMO 234 SG CYS A 18 -4 .800 -7 .305 1. 187 1 .00 0. 00 ATOMO 235 H CYS A 18 -3 .942 -5 .320 -1. 234 1 .00 0. 00 ATOMO 236 HA CYS A 18 -4 .166 -8 .216 -1. 643 1 .00 0. 00 ATOMO 237 1HB CYS A 18 -6 .183 -6 .292 -0. 466 1 .00 0. 00 ATOMO 238 2HB CYS A 18 -6 .315 -8 .044 -0. 498 1 .00 0. 00 ATOMO 239 N ASP A 19 -6.203 -8.131 -3.295 1.00 0.00 ATOMO 240 CA ASP A 19 -7. 005 -8. 103 -4 .518 1. 00 0. 00 ATOMO 241 C ASP A 19 -6. 142 -7. 768 -5 .733 1. 00 0. 00 ATOMO 242 O ASP A 19 -6. 612 -7. 158 -6 .693 1. 00 0. 00 ATOMO 243 CB ASP A 19 -8. 137 -7. 083 -4 .387 1. 00 0. 00 ATOMO 244 CG ASP A 19 -9. 262 -7. 580 -3 .500 1. 00 0. 00 ATOMO 245 OD1 ASP A 19 -9. 241 -7. 281 -2 .288 1. 00 0. 00 ATOMO 246 OD2 ASP A 19 -10. 168 -8. 268 -4 .019 1. 00 0. 00 ATOMO 247 H ASP A 19 -6. 217 -8. 932 -2 .734 1. 00 0. 00 ATOMO 248 HA ASP A 19 -7. 432 -9. 085 -4 .655 1. 00 0. 00 ATOMO 249 1HB ASP A 19 -7. 745 -6. 171 -3 .961 1. 00 0. 00 ATOMO 250 2HB ASP A 19 -8. 540 -6. 873 -5 .367 1. 00 0. 00 ATOMO 251 N ASP A 20 -4. 874 -8. 169 -5 .677 1. 00 0. 00 ATOMO 252 CA ASP A 20 -3. 935 -7. 914 -6 .764 1. 00 0. 00 ATOMO 253 C ASP A 20 -3. 684 -6. 419 -6 .932 1. 00 0. 00 ATOMO 254 0 ASP A 20 -3. 520 -5. 928 -8 .049 1. 00 0. 00 ATOMO 255 CB ASP A 20 -4. 453 -8. 509 -8 .077 1. 00 0. 00 ATOMO 256 CG ASP A 20 -3. 422 -8. 440 -9 .187 1. 00 0. 00 ATOMO 257 OD1 ASP A 20 -2. 253 -8. 803 -8 .936 1. 00 0. 00 ATOMO 258 OD2 ASP A 20 -3. 784 -8. 025 -10 .308 1. 00 0. 00 ATOMO 259 H ASP A 20 -4. 561 -8. 648 -4 .881 1. 00 0. 00 ATOMO 260 HA ASP A 20 -3. 002 -8. 391 -6 .507 1. 00 0. 00 ATOMO 261 1HB ASP A 20 -4. 714 -9. 544 -7 .917 1. 00 0. 00 ATOMO 262 2HB ASP A 20 -5. 331 -7. 964 -8 .391 1. 00 0. 00 ATOMO 263 N ALA A 21 -3. 648 -5. 700 -5 .814 1. 00 0. 00 ATOMO 264 CA ALA A 21 -3. 407 -4. 262 -5 .840 1. 00 0. 00 ATOMO 265 C ALA A 21 -1. 919 -3. 966 -5 .969 1. 00 0. 00 ATOMO 266 0 ALA A 21 -1. 091 -4. 877 -5 .960 1. 00 0. 00 ATOMO 267 CB ALA A 21 -3. 969 -3. 601 -4 .590 1. 00 0. 00 ATOMO 268 H ALA A 21 -3. 781 -6. 150 -4 .953 1. 00 0. 00 ATOMO 269 HA ALA A 21 -3. 921 -3. 853 -6 .699 1. 00 0. 00 ATOMO 270 1HB ALA A 21 -4. 010 -4. 322 -3 .789 1. 00 0. 00 ATOMO 271 2HB ALA A 21 -4. 963 -3. 230 -4 .792 1. 00 0. 00 ATOMO 272 3HB ALA A 21 -3. 330 -2. 777 -4 .298 1. 00 0. 00 ATOMO 273 N THR A 22 -1. 585 -2. 687 -6 .088 1. 00 0. 00 ATOMO 274 CA THR A 22 -0. 198 -2. 270 -6 .215 1. 00 0. 00 ATOMO 275 C THR A 22 0. 073 -1. 031 -5 .368 1. 00 0. 00 ATOMO 276 O THR A 22 -0. 761 -0. 129 -5 .284 1. 00 0. 00 ATOMO 277 CB THR A 22 0. 132 -1. 988 -7 .683 1. 00 0. 00 ATOMO 278 OGl THR A 22 -0. 082 -3. 142 -8 .475 1. 00 0. 00 ATOMO 279 CG2 THR A 22 1. 560 -1. 541 -7 .902 1. 00 0. 00 ATOMO 280 H THR A 22 -2. 289 -2. 007 -6 .088 1. 00 0. 00 ATOMO 281 HA THR A 22 0. 425 -3. 078 -5 .864 1. 00 0. 00 ATOMO 282 HB THR A 22 -0. 519 -1. 204 -8 .042 1. 00 0. 00 ATOMO 283 HGl THR A 22 -0. 973 -3. 124 -8 .833 1. 00 0. 00 ATOMO 284 1HG2 THR A 22 1. 690 -0. 546 -7 .501 1. 00 0. 00 ATOMO 285 2HG2 THR A 22 1. 776 -1. 533 -8 .960 1. 00 0. 00 ATOMO 286 3HG2 THR A 22 2. 231 -2. 223 -7 .401 1. 00 0. 00 ATOMO 287 N CYS A 23 1. 247 -0. 995 -4 .747 1. 00 0. 00 ATOMO 288 CA CYS A 23 1. 637 0. 135 -3 .912 1. 00 0. 00 ATOMO 289 C CYS A 23 2. 107 1. 287 -4 .796 1. 00 0. 00 ATOMO 290 0 CYS A 23 3. 132 1. 184 -5 .470 1. 00 0. 00 ATOMO 291 CB CYS A 23 2. 747 -0. 290 -2 .948 1. 00 0. 00 ATOMO 292 SG CYS A 23 2. 911 0. 770 -1 .475 1. 00 0. 00 ATOMO 293 H CYS A 23 1. 870 -1. 743 -4 .858 1. 00 0. 00 ATOMO 294 HA CYS A 23 0. 772 0. 451 -3 .347 1. 00 0. 00 ATOMO 295 1HB CYS A 23 2. 550 -1. 295 -2 .605 1. 00 0. 00 ATOMO 296 2HB CYS A 23 3.692 -0.273 -3.471 1.00. 0.00 H ATOMO 297 N THR A 24 1 .339 2 .374 -4 .813 1.00 0. 00 N ATOMO 298 CA THR A 24 1 .666 3 .527 -5 .642 1.00 0. 00 C ATOMO 299 C THR A 24 1 .819 4 .800 -4 .814 1.00 0. 00 c ATOMO 300 0 THR A 24 1 .268 4 .930 -3 .721 1.00 0. 00 0 ATOMO 301 CB THR A 24 0 .580 3 .723 -6 .709 1.00 0. 00 c ATOMO 302 OG1 THR A 24 0 .596 2 .653 -7 .639 1.00 0. 00 0 ATOMO 303 CG2 THR A 24 0 .719 5 .014 -7 .494 1.00 0. 00 c ATOMO 304 H THR A 24 0 .524 2 .395 -4 .276 1.00 0. 00 H ATOMO 305 HA THR A 24 2 .603 3 .323 -6 .136 1.00 0. 00 H ATOMO 306 HB THR A 24 -0 .386 3 .734 -6 .224 1.00 0. 00 H ATOMO 307 HG1 THR A 24 1 .437 2 .643 -8 .101 1.00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .603 5 .854 -6 .823 1.00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .042 5 .055 -8 .258 1.00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .696 5 .053 -7 .951 1.00 0. 00 H ATOMO 311 N GLN A 25 2 .565 5 .743 -5 .378 1.00 0. 00 N ATOMO 312 CA GLN A 25 2 .803 7 .032 -4 .753 1.00 0. 00 c ATOMO 313 C GLN A 25 1 .563 7 .916 -4 .880 1.00 0. 00 c ATOMO 314 O GLN A 25 0 .997 8 .059 -5 .964 1.00 0. 00 0 ATOMO 315 CB GLN A 25 4 .010 7 .705 -5 .416 1.00 0. 00 c ATOMO 316 CG GLN A 25 4 .251 9 .128 -4 .951 1.00 0. 00 c ATOMO 317 CD GLN A 25 5 .632 9 .638 -5 .316 1.00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .614 9 .348 -4 .632 1.00 0. 00 0 ATOMO 319 NE2 GLN A 25 5 .714 10 .400 -6 .400 1.00 0. 00 N ATOMO 320 H GLN A 25 2 .955 5 .570 -6 .256 1.00 0. 00 H ATOMO 321 HA GLN A 25 3 .018 6 .872 -3 .708 1.00 0. 00 H ATOMO 322 1HB GLN A 25 4 .894 7 .125 -5 .198 1.00 0. 00 H ATOMO 323 2HB GLN A 25 3 .855 7 .720 -6 .485 1.00 0. 00 H ATOMO 324 1HG GLN A 25 3 .512 9 .768 -5 .410 1.00 0. 00 H ATOMO 325 2HG GLN A 25 4 .139 9 .163 -3 .879 1.00 0. 00 H ATOMO 326 1HE2 GLN A 25 4 .891 10 .590 -6 .897 1.00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .595 10 .743 -6 .659 1.00 0. 00 H ATOMO 328 N GLU A 26 1 .148 8 .505 -3 .766 1.00 0. 00 N ATOMO 329 CA GLÜ A 26 -0 .021 9 .374 -3 .747 1.00 0. 00 c ATOMO 330 C GLU A 26 0 .168 10 .513 -2 .749 1.00 0. 00 c ATOMO 331 O GLU A 26 1 .215 10 .624 -2 .111 1.00 0. 00 o ATOMO 332 CB GLU A 26 -1 .274 8 .572 -3 .395 1.00 0. 00 c ATOMO 333 CG GLU A 26 -1 .495 7 .367 -4 .294 1.00 0. 00 c ATOMO 334 CD GLU A 26 -2.795 6 .646 -3 .997 1.00 0. 00 c ATOMO 335 OE1 GLU A 26 -2 .894 5 .443 -4 .317 1.00 0. 00 o ATOMO 336 OE2 GLU A 26 -3 .715 7 .285 -3 .443 1.00 0. 00 0 ATOMO 337 H GLU A 26 1 .644 8 .350 -2 .936 1.00 0. 00 H ATOMO 338 HA GLU A 26 -0 .139 9 .795 -4 .734 1.00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .191 8 .224 -2 .375 1.00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .136 9 .218 -3 .475 1.00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .514 7 .700 -5 .322 1.00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .677 6 .676 -4 .156 1.00 0. 00 H ATOMO 343 N ARG A 27 -0 .851 11 .356 -2 .623 1.00 0. 00 N ATOMO 344 CA ARG A 27 -0 .797 12 .488 -1 .707 1.00 0. 00 c ATOMO 345 C ARG A 27 -1 .793 12 .314 -0 .565 1.00 0. 00 c ATOMO 346 0 ARG A 27 -2 .871 11 .750 -0 .748 1.00 0. 00 0 ATOMO 347 CB ARG A 27 -1 .090 13 .785 -2 .463 1.00 0. 00 c ATOMO 348 CG ARG A 27 -0 .004 14 .168 -3 .456 1.00 0. 00 c ATOMO 349 CD ARG A 27 0 .262 15 .666 -3 .450 1.00 0. 00 c ATOMO 350 NE ARG A 27 0, .590 16 .169 -4 .782 1.00 0. 00 N ATOMO 351 CZ ARG A 27 1, .088 17 .384 -5 .021 1.00 0. 00 c ATOMO 352 NH1 ARG A 27 1, .321 18 .22B -4 .022 1.00 0. 00 N ATOMO 353 NH2 ARG A 27 1.357 17.753 -6.266 1.00 0.00 N ATOMO 354 H ARG A 27 -1 .655 11 .215 -3 .161 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0 .200 12 .539 -1 .297 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -2 .018 13 .672 -3 .002 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .196 14 .585 -1 .748 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0 .907 13 .651 -3 .195 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0 .316 13 .871 -4 .447 1 .00 0. ,00 H ATOMO 360 1HD ARG A 27 -0 .621 16 .173 -3 .091 1 .00 0. ,00 H ATOMO 361 2HD ARG A 27 1 .088 15 .869 -2 .785 1 .00 0. 00 H ATOMO 362 HE ARG A 27 0 .430 15 .572 -5 .542 1 .00 0. 00 H ATOMO 363 1HH1 ARG A 27 1 .123 17 .959 -3 .080 1 .00 0. 00 H ATOMO 364 2HH1 ARG A 27 1 .696 19 .135 -4 .213 1 .00 0. .00 H ATOMO 365 1HH2 ARG A 27 1 .186 17 .123 -7 .023 1 .00 0. ,00 H ATOMO 366 2HH2 ARG A 27 1 .730 18 .663 -6 .448 1 .00 0. 00 H ATOMO 367 N ASN A 28 -1 .423 12 .804 0 .615 1 .00 0. ,00 N ATOMO 368 CA ASN A 28 -2 .283 12 .702 1 .789 1 .00 0. ,00 C ATOMO 369 C ASN A 28 -2 .953 14 .041 2 .091 1 .00 0. 00 C ATOMO 370 0 ASN A 28 -2 .857 14 .986 1 .309 1 .00 0. ,00 O ATOMO 371 CB ASN A 28 -1 ,471 12 .230 2 .999 1 .00 0. ,00 C ATOMO 372 CG AS A 28 -0 .418 13 .234 3 .428 1 .00 0.00 C ATOMO 373 OD1 ASN A 28 -0 .176 14 .227 2 .743 1 .00 0. ,00 O ATOMO 374 ND2 ASN A 28 0 .215 12 .979 4 .567 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0 .551 13 .243 0 .697 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -3 .049 11 .972 1 .574 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2 .139 12 .060 3 .829 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -0 .975 11 .305 2 .748 1 .00 0. ,00 H ATOMO 379 1HD2 ASN A 28 -0 .030 12 .167 5 .061 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 0 .900 13 .611 4 .868 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3 .631 14 .114 3 .232 1 .00 0. 00 N ATOMO 382 CA GLÜ A 29 -4 .314 15 .333 3 .640 1 .00 0. 00 C ATOMO 383 C GLU A 29 -3 .314 16 .453 3 .911 1 .00 0. 00 C ATOMO 384 O GLU A 29 -3 .594 17 .623 3 .653 1 .00 0. 00 O ATOMO 385 CB GLU A 29 -5 .156 15 .069 4 .888 1 .00 0. 00 C ATOMO 386 CG GLU A 29 -4 .344 14 .596 6 .083 1 .00 0. 00 C ATOMO 387 CD GLU A 29 -5 .180 13 .831 7 .089 1 .00 0. 00 C ATOMO 388 OE1 GLU A 29 -5 .726 12 .769 6 .723 1 .00 0. 00 O ATOMO 389 OE2 GLU A 29 -5 .288 14 .292 8 .245 1 .00 0. 00 O ATOMO 390 H GLU A 29 -3 .673 13 .329 3 .816 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -4 .966 15 .635 2 .833 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -5 .663 15 .981 5, .163 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -5 .893 14 .314 4, .659 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -3 .552 13 .952 5 .731 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -3 .914 15 .458 6 .574 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2 .149 16 .085 .434 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1 .108 17 .058 4, .740 1 .00 0. 00 C ATOMO 398 C ASN A 30 -0 .473 17 .600 3, .464 1 .00 0. 00 C ATOMO 399 0 ASN A 30 -0 .005 18 .738 3, .427 1 .00 0. .00 O ATOMO 400 CB ASN A 30 -0 .035 16 .425 5, .628 1 .00 0. 00 C ATOMO 401 CG ASN A 30 -0 .456 16 .356 7. .082 1 .00 0. 00 C ATOMO 402 OD1 ASN A 30 -1 .644 16 .407 7, .400 1 .00 0. 00 O ATOMO 403 ND2 ASN A 30 0 .519 16 .240 7. .975 1 .00 0. 00 N ATOMO 404 H ASN A 30 -1 .986 15 .136 4, .618 1 .00 0. 00 H ATOMO 405 HA ASN A 30 -1. .567 17 .877 5. .274 1, .00 0. 00 H ATOMO 406 1HB ASN A 30 0, .165 15, .423 5. .282 1, .00 0. 00 H ATOMO 407 2HB ASN A 30 0, .870 17 .012 5. .561 1 .00 0. 00 H ATOMO 40B 1HD2 ASN A 30 1. .443 16 .207 7. .650 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 0. .276 16, .192 8. ,924 1 .00 0. 00 H ATOMO 410 N GLY A 31 -0.459 16.780 2.418 1.00 0.00 N ATOMO 411 CA GLY A 31 0. 123 17. 200 1 .155 1. 00 0. 00 C ATOMO 412 C GLY A 31 1. 503 16. 611 0 .910 1. 00 0. 00 C ATOMO 413 0 GLY A 31 2. 219 17. 060 0 .016 1. 00 0. 00 O ATOMO 414 H GLY A 31 -0. 846 15. 882 2 .502 1.00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 533 16. 894 0 .353 1. 00 0. 00 H ATOMO 416 2HA GLY A 31 0. 198 18. 277 1 .150 1. 00 0. 00 H ATOMO 417 N HIS A 32 1. 878 15. 603 1 .696 1. 00 0. 00 N ATOMO 418 CA HIS A 32 3. 177 14. 962 1 .544 1. 00 0. 00 C ATOMO 419 C HIS A 32 3. 046 13. 676 0 .734 1. 00 0. 00 C ATOMO 420 0 HIS A 32 1. 973 13. 074 0 .680 1. 00 0. 00 o ATOMO 421 CB HIS A 32 3. 78B 14. 669 2 .918 1. 00 0. 00 C ATOMO 422 CG HIS A 32 5. 040 15. 445 3 .192 1. 00 0. 00 C ATOMO 423 ND1 HIS A 32 5. 294 16. 682 2 .639 1. 00 0.00 N ATOMO 424 CD2 HIS A 32 6. 113 15. 152 3 .964 1. 00 0. 00 C ATOMO 425 CE1 HIS A 32 6. 469 17. 117 3 .058 1. 00 0. 00 C ATOMO 426 NE2 HIS A 32 6. 986 16. 207 3 .864 1. 00 0. 00 N ATOMO 427 H HIS A 32 1. 268 15. 280 2 .391 1. 00 0. 00 H ATOMO 428 HA HIS A 32 3. 822 15. 645 1 .010 1. 00 0. 00 H ATOMO 429 1HB HIS A 32 3. 070 14. 922 3 .684 1. 00 0. 00 H ATOMO 430 2HB HIS A 32 4. 026 13. 617 2 .989 1. 00 0. 00 H ATOMO 431 HD1 HIS A 32 4. 702 17. 169 2 .029 1. 00 0. 00 H ATOMO 432 HD2 HIS A 32 6. 256 14. 255 4 .551 1. 00 0. 00 H ATOMO 433 HE1 HIS A 32 6. 928 18. 056 2 .790 1. 00 0. 00 H ATOMO 434 HE2 HIS A 32 7. 813 16. 313 4 .380 1. 00 0. 00 H ATOMO 435 N THR A 33 4. 139 13. 259 0 .102 1. 00 0. 00 N ATOMO 436 CA THR A 33 4. 130 12. 046 -0 .704 1. 00 0. 00 C ATOMO 437 C THR A 33 3. 964 10. 810 0 .173 1. 00 0. 00 C ATOMO 438 0 THR A 33 4. 648 10. 653 1 .185 1. 00 0. 00 O ATOMO 439 CB THR A 33 5. 416 11. 931 -1 .523 1. 00 0. 00 C ATOMO 440 0G1 THR A 33 5. 606 13. 085 -2 .323 1. 00 0. 00 O ATOMO 441 CG2 THR A 33 5. 432 10. 725 -2 .439 1. 00 0. 00 C ATOMO 442 H THR A 33 4. 965 13. 780 0 .179 1. 00 0. 00 H ATOMO 443 HA THR A 33 3. 290 12. 104 -1 .380 1. 00 0. 00 H ATOMO 444 HB THR A 33 6. 255 11. 846 -0 .847 1. 00 0. 00 H ATOMO 445 HG1 THR A 33 4. 787 13. 295 -2 .780 1. 00 0. 00 H ATOMO 446 1HG2 THR A 33 6. 451 10. 495 -2 .714 1. 00 0. 00 H ATOMO 447 2HG2 THR A 33 4. 858 10. 941 -3 .328 1. 00 0. 00 H ATOMO 448 3HG2 THR A 33 4. 997 9. 879 -1 .928 1. 00 0. 00 H ATOMO 449 N VAL A 34 3. 053 9. 933 -0 .230 1. 00 0. 00 N ATOMO 450 CA VAL A 34 2. 791 8. 705 0 .507 1. 00 0. 00 C ATOMO 451 C VAL A 34 2. 597 7. 537 -0 .451 1. 00 0. 00 C ATOMO 452 O VAL A 34 2. 562 7. 720 -1 .665 1. 00 0. óo O ATOMO 453 CB VAL A 34 1. 544 8. 837 1 .400 1. 00 0. 00 C ATOMO 454 CG1 VAL A 34 1. 782 9. 859 2 .501 1. 00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 326 9. 213 0 .569 1. 00 0. 00 c ATOMO 456 H VAL A 34 2. 544 10. 116 -1 .047 1. 00 0. 00 H ATOMO 457 HA VAL A 34 3. 643 8. 501 1 .138 1. 00 0. 00 H ATOMO 458 HB VAL A 34 1. 355 7. 880 1 .864 1. 00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. 831 9. 879 2 .754 1. 00 0. 00 H ATOMO 460 2HG1 VAL A 34 1. 205 9. 588 3 .374 1. 00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. 475 10. 837 2 .158 1. 00 0. 00 H ATOMO 462 1HG2 VAL A 34 0. 553 10. 082 -0 .031 1. 00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. 503 9. 435 1 .225 1. 00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. 063 8. 388 -0 .078 1. 00 0. 00 H ATOMO 465 N TYR A 35 2. 475 6. 340 0 .102 1. 00 0. 00 N ATOMO 466 CA TYR A 35 2. 283 5. 142 -0 .709 1 . 00 0. 00 C ATOMO 467 C TYR A 35 0.973 4.452 -0.345 1.00 0.00 c ATOMO 468 0 TYR A 35 0. 736 4 .130 0 .820 1.00 0. 00 o ATOMO 469 CB TYR A 35 3. 457 4 .181 -0 .520 1.00 0. 00 c ATOMO 470 CG TYR A 35 4. 809 4 .834 -0 .698 1.00 0. 00 c ATOMO 471 CDl TYR A 35 5. 475 4 .774 -1 .916 1.00 0. 00 c ATOMO 472 CD2 TYR A 35 5. 421 5 .509 0 .351 1.00 0. 00 c ATOMO 473 CEl TYR A 35 6. 712 5 .369 -2 .083 1.00 0. 00 c ATOMO 474 CE2 TYR A 35 6. 656 6 .107 0 .192 1.00 0. 00 c ATOMO 475 CZ TYR A 35 7. 297 6 .033 -1 .027 1.00 0. 00 c ATOMO 476 OH TYR A 35 8. 529 6 .626 -1 .189 1.00 0. 00 0 ATOMO 477 H TYR A 35 2. 514 6 .259 1 .078 1.00 0. 00 H ATOMO 478 HA TYR A 35 2. 239 5 .444 -1 .745 1.00 0. 00 H ATOMO 479 1HB TYR A 35 3. 417 3 .765 0 .475 1.00 0. 00 H ATOMO 480 2HB TYR A 35 3. 377 3 .384 -1 .243 G.00 0. 00 H ATOMO 481 HDl TYR A 35 5. 013 4 .254 -2 .742 1.00 0. 00 H ATOMO 482 HD2 TYR A 35 4. 916 5 .565 1 .305 1.00 0. 00 H ATOMO 483 HEl TYR A 35 7. 213 5 .311 -3 .037 1.00 0. 00 H ATOMO 484 HÉ2 TYR A 35 7. 115 6 .627 1 .020 1.00 0. 00 H ATOMO 485 HH TYR A 35 9. 208 5 .948 -1 .225 1.00 0. 00 H ATOMO 486 N TYR A 36 0. 118 4 .237 -1 .342 1.00 0. 00 N ATOMO 487 CA TYR A 36 -1. 171 3 .594 -1 .110 1.00 0. 00 c ATOMO 488 C TYR A 36 -1. 369 2 .388 -2 .023 1.00 0. 00 c ATOMO 489 0 TYR A 36 -0. 624 2 .189 -2 .982 1.00 0. 00 0 ATOMO 490 CB TYR A 36 -2. 307 4 .599 -1 .319 1.00 0. 00 c ATOMO 491 CG TYR A 36 -2. 736 5 .297 -0 .049 1.00 0. 00 c ATOMO 492 CDl TYR A 36 -1. 857 6 .116 0 .649 1.00 0. 00 c ATOMO 493 CD2 TYR A 36 -4. 022 5 .138 0 .454 1.00 0. 00 c ATOMO 494 CEl TYR A 36 -2. 246 6 .755 1 .810 1.00 0. 00 c ATOMO 495 CE2 TYR A 36 -4. 419 5 .774 1 .615 1.00 0. 00 c ATOMO 496 CZ TYR A 36 -3. 527 6 .582 2 .289 1.00 0. 00 c ATOMO 497 OH TYR A 36 -3. 918 7 .217 3 .445 1.00 0. 00 0 ATOMO 498 H TYR A 36 0. 357 4 .523 -2 .251 1.00 0. 00 H ATOMO 499 HA TYR A 36 -1. 192 3 .255 -0 .088 1.00 0. 00 H ATOMO 500 1HB TYR A 36 -1. 985 5 .355 -2 .019 1.00 0. 00 H ATOMO 501 2HB TYR A 36 -3. 166 4 .084 -1 .722 1.00 0. 00 H ATOMO 502 HDl TYR A 36 -0. 854 6 .251 0 .271 1.00 0. 00 H ATOMO 503 HD2 TYR A 36 -4. 718 4 .504 -0 .076 1.00 0. 00 H ATOMO 504 HEl TYR A 36 -1. 547 7 .388 2 .338 1.00 0. 00 H ATOMO 505 HE2 TYR A 36 -5. 423 5 .637 1 .990 1.00 0. 00 H ATOMO 506 HH TYR A 36 -4. 737 7 .692 3 .289 1.00 0. 00 H ATOMO 507 N CYS A 3 -2. 379 1 .587 -1 .706 1.00 0. 00 N ATOMO 508 CA CYS A 37 -2. 689 0 .388 -2 .485 1.00 0. 00 c ATOMO 509 C CYS A 37 -3. 855 0 .643 -3 .432 1.00 0. 00 c ATOMO 510 O CYS A 37 -4. 872 1 .217 -3 .043 1.00 0. 00 0 ATOMO 511 CB CYS A 37 -3. 026 -0 .777 -1 .550 1.00 0. 00 c ATOMO 512 SG CYS A .37 -1. 563 -1 .594 -0 .836 1.00 0. 00 s ATOMO 513 H CYS A 37 -2. 925 1 .803 -0 .921 1.00 0. 00 H ATOMO 514 HA CYS A 37 -1. 817 0 .130 -3 .066 1.00 0. 00 H ATOMO 515 1HB CYS A 37 -3. 635 -0 .414 -0 .733 1.00 0. 00 H ATOMO 516 2HB CYS A 37 -3. 581 -1 .522 -2 .095 1.00 0. 00 H ATOMO 517 N ARG A 38 -3. 697 0 .215 -4 .680 1.00 0. 00 N ATOMO 518 CA ARG A 38 -4. 730 0 .398 -5 .688 1.00 0. 00 c ATOMO 519 C ARG A 38 -5. 010 -0 .907 -6 .420 1.00 0. 00 c ATOMO 520 0 ARG A 38 -4. 096 -1 .563 -6 .919 1.00 0. 00 0 ATOMO 521 CB ARG A 38 -4. 310 1 .476 -6 .690 1.00 0. 00 c ATOMO 522 CG ARG A 38 -4. 026 2 .823 -6 .048 1.00 0. 00 c ATOMO 523 CD ARG A 38 -5. 308 3 .510 -5 .609 1.00 0. 00 c ATOMO 524 NE ARG A 38 -5.209 4.965 -5.707 1.00 0.00 ATOMO 525 CZ ARG A 38 -6. 122 5. 812 -5 .230 1. 00 0. 00 ATOMO 526 NHl ARG A 38 -7. 213 5. 357 -4 .621 1. 00 0. 00 ATOMO 527 NH2 ARG A 38 -5. 944 7. 119 -5 .362 1. 00 0. 00 ATOMO 528 H ARG A 38 -2. 862 -0. 233 -4 .930 1. 00 0. 00 ATOMO 529 HA ARG A 38 -5. 631 0. 717 -5 .187 1. 00 0. 00 ATOMO 530 1HB ARG A 38 -3. 416 1. 148 -7 .200 1. 00 0. 00 ATOMO 531 2HB ARG A 38 -5. 101 1. 606 -7 .414 1. 00 0. 00 ATOMO 532 1HG ARG A 38 -3. 394 2. 675 -5 .186 1. 00 0. 00 ATOMO 533 2HG ARG A 38 -3. 518 3. 452 -6 .765 1. 00 0. 00 ATOMO 534 1HD ARG A 38 -6. 117 3. 169 -6 .237 1. 00 0. 00 ATOMO 535 2HD ARG A 38 -5. 512 3. 240 -4 .583 1. 00 0. 00 ATOMO 536 HE ARG A 38 -4. 417 5. 334 -6 .153. 1. 00 0. 00 ATOMO 537 1HH1 ARG A 38 -7. 357 4. 373 -4 .517 1. 00 0. 00 ATOMO 538 2HH1 ARG A 38 -7. 891 6. 001 -4 .268 1. 00 0. 00 ATOMO 539 1HH2 ARG A 38 -5. 126 7. 469 -5 .819 1. 00 0. 00 ATOMO 540 2HH2 ARG A 38 -6. 627 .7. 755 -5 .003 1. 00 0. 00 ATOMO 541 N ALA A 39 -6. 282 -1. 276 -6 .479 1. 00 0. 00 ATOMO 542 CA ALA A 39 -6. 693 -2. 504 -7 .148 1. 00 0. 00 ATOMO 543 C ALA A 39 -6. 534 -2. 383 -8 .660 1. 00 0. 00 ATOMO 544 0 ALA A 39 -6. 821 -3. 373 -9 .365 1. 00 0. 00 ATOMO 545 CB ALA A 39 -8. 132 -2. 844 -6 .792 1. 00 o-. 00 ATOMO 546 OXT ALA A 39 -6. 125 -i. 299 -9 .127 1. 00 0. 00 ATOMO 547 H ALA A 39 -6. 961 -0. 708 -6 .060 1. 00 0. 00 ATOMO 548 HA ALA A 39 -6. 059 -3. 303 -6 .792 1. 00 0. 00 ATOMO 549 1HB ALA A 39 -8. 467 -3. 669 -7 .401 1. 00 0. 00 ATOMO 550 2HB ALA A 39 -8. 760 -1. 984 -6 .973 1. 00 0. 00 ATOMO 551 3HB ALA A 39 -8. 189 -3. 119 . -5 .750 1. 00 0. 00 TER 552 ALA A 39 END OL MODELO 22 ATOMO 1 N GLY A 1 -3. 186 -15. 274 3 .504- 1. 00 0. 00 ATOMO 2 CA GLY A 1 -1. 942 -14. 872 4 .218 1. 00 0. 00 ATOMO 3 C GLY A 1 -2. 042 -13. 485 4 .820 1. 00 0. 00 ATOMO 4 0 GLY A 1 -2. 861 -13. 243 5 .707 1. 00 0. 00 ATOMO 5 1H GLY A 1 -3. 180 -14. 898 2 .535 1. 00 0. 00 ATOMO 6 2H GLY A 1 -4. 019 -14. 903 4 .002 1. Oí) 0. 00 ATOMO 7 3H GLY A 1 -3. 255 -16. 311 3 .462 1. 00 0. 00 ATOMO 8 1HA GLY A 1 -1. 747 -15. 583 5 .007 i ; 00 0. 00 ATOMO 9 2 HA GLY A 1 -1. 118 -14. 891 3 .519 1. 00 0. 00 ATOMO 10 N SER A 2 -1. 206 -12. 571 4 .337 1. 00 0. 00 ATOMO 11 CA SER A 2 -1. 203 -11. 200 4 .834 1. 00 0. 00 ATOMO 12 C SER A 2 -0. 905 -10. 215 3 .707 · i. 00 0. 00 ATOMO 13 O SER A 2 0. 086 -10. 357 2 .992 1. 00 0. 00 ATOMO 14 CB SER A 2 -0. 171 -11. 042 5 .951 1. 00 0. 00 ATOMO 15 OG SER A 2 0. 062 -12. 276 6 .608 1. 00 0. 00 ATOMO 16 H SER A 2 -0. 578 -12. 824 3 .629 1. 00 0. 00 ATOMO 17 HA SER A 2 -2. 185 -10. 988 5 .230 1. 00 0. 00 ATOMO 18 1HB SER A 2 0. 760 -10. 690 5 .531 1. 00 0. 00 ATOMO 19 2HB SER A 2 -0. 534 -10. 326 6 .674 1. 00 0. 00 ATOMO 20 HG SER A 2 Q. 536 -12. 867 6 .018 1. 00 0. 00 ATOMO 21 N CYS A 3 -1. 768 -9. 215 3 .559 1. 00 0. 00 ATOMO 22 CA CYS A 3 . -1. 596 -8. 205 2 .523 1. 00 0. 00.

ATOMO 23 C CYS A 3 -2. 231 -6. 886 2 .945 1. 00 0. 00 ATOMO 24 O CYS A 3 -2. 981 -6. 828 3 .919 1. 00 0. 00 ATOMO 25 CB CYS A 3 -2. 204 -8. 681 1 .201 1. 00 0. 00 ATOMO 26 SG CYS A 3 -3. 985 -9. 062 1 .285 1. 00 0. 00 ATOMO 27 H CYS A 3 -2.536 -9.152 4.162 1..00 0.00 H ATOMO 28 HA. CYS A 3 -0 .536 -8 .050 2 .386 1. ,00 0. 00 H ATOMO 29 1HB CYS A 3 -2 .070 -7 .912 0 .454 1. .00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .691 -9 .577 0 .881 1. .00 0. 00 H ATOMO 31 N VAL A 4 -1 .928 -5 .830 2 .201 1. ,00 0. 00 N ATOMO 32 CA VAL A 4 -2 .465 -4 .512 2 .486 1. ,00 0. ,00 c ATOMO 33 C VAL A 4 -3 .794 -4 .301 1 .755 1. ,00 0. ,00 c ATOMO 34 0 VAL A 4 -3 .883 -4 .552 0 .558 1. ,00 0. 00 0 ATOMO 35 CB VAL A 4 -1 .465 -3 .423 2 .061 1. ,00 0. 00 c ATOMO 36 CG1 VAL A 4 -2 .025 -2 .031 2 .314 1. ,00 0. ,00 c ATOMO 37 CG2 VAL A 4 -0 .145 -3 .617 2 .789 1. 00 0. 00 c ATOMO 38 H VAL A 4 -1 .325 -5 . 939 1 .439 1. ,00 0. ,00 H ATOMO 39 HA VAL A 4 -2 .619 -4 .437 3 .550 1. ,00 0. 00 H ATOMO 40 HB VAL A 4 -1 .283 -3 .527 1 .003 1. 00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1 .232 -1 .305 2 .234 1. 00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2 .455 -1 .992 3 .301 1. 00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2 .787 -1 .815 1 .579 1. ,00 0. 00 H ATOMO 44 1HG2 VAL A 4 -0 .036 -4 .657 3 .062 1. .00 0. ,00 H ATOMO 45 2HG2 VAL A 4 -0 .135 -3 .008 3 .681 1. .00 0. 00 H ATOMO 46 3HG2 VAL A 4 0 .669 -3 .327 2 .143 1. 00 0. 00 H ATOMO 47 N PRO A 5 -4 .848 -3 .831 2 .447 1. ,00 0. 00 N ATOMO 48 CA PRO A 5 -6 .145 -3 .600 1 .811 1. ,00 0. 00 c ATOMO 49 C PRO A 5 -6 .081 -2 .471 0 .787 1. 00 0. 00 c ATOMO 50 O PRO A 5 -5 .471 -1 .424 1 .030 1. 00 0. 00 o ATOMO 51 CB PRO A 5 -7 .074 -3 .218 2 .974 1. ,00 0. 00 c ATOMO 52 CG PRO A 5 -6 .329 -3 .574 4 .218 1. 00 0. 00 c ATOMO 53 CD PRO A 5 -4 .871 -3 .476 3 .875 1. 00 0. 00 . c ATOMO 54 HA PRO A 5 -6 .513 -4 .498 1 .330 1. 00 0. 00 H ATOMO 55 1HB PRO A 5 -7 .289 -2 .161 2 .933 1. 00 0. 00 H ATOMO 56 2HB PRO A 5 -7 .994 -3 .777 2 .897 1. 00 0. 00 H ATOMO 57 1HG PRO A 5 -6 .575 -2 .876 5 .005 1. 00 0. 00 H ATOMO 58 2HG PRO A 5 -6 .575 -4 .581 4 .519 1. 00 0. 00 H ATOMO 59 1HD PRO A 5 -4 .511 -2 .469 4 .030 1. 00 0. 00 H ATOMO 60 2HD PRO A 5 -4 .298 -4 .178 4 .458 1. 00 0. 00 H ATOMO 61 N VAL A 6 -6 .721 -2 .678 -0 .359 1. 00 0. 00 N ATOMO 62 CA VAL A 6 -6 .737 -1 .673 -1 .404 1. 00 0. 00 c ATOMO 63 C VAL A 6 -7 .328 -0 .380 -0 .873 1. 00 0. 00 c ATOMO 64 O VAL A 6 -8 .154 -ó .394 0 .039 1. 00 0. 00 0 ATOMO 65 CB VAL A 6 -7 .522 -2 ;i59 -2 .637 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7 .569 -1 .089 -3 .717 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6 .893 -3 .431 -3 .174 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7, .202 -3 .515 -0 .500 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5, .714 -1 .491 -1 .703 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8, .533 -2 .382 -2 .334 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8, .153 -0. .253 -3 .367 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8, .020 -1 .499 -4 .608 1. 00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6, .564 -0, .761 -3 .939 1. 00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5. .840 -3, .438 -2 .930 1. 00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7. .015 -3, .467 -4 .245 1. 00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7. .372 -4, .286 -2 .726 1. 00 0. 00 H ATOMO 77 N ASP A 7 -6. .864 0. .733 -1, .421 1. 00 0. 00 N ATOMO 78 CA ASP A 7 -7. .296 2, .048 -0, .993 1. 00 0. 00 c ATOMO 79 C ASP A 7 -6. .685 2, .406 0 .365 1. 00 0. 00 c ATOMO 80 0 ASP A 7 -7. .006 3. .448 0, .933 1. 00 0. 00 0 ATOMO 81 CB ASP A 7 -8. .821 2. .135 -0, .933 1. 00 0. 00 c ATOMO 82 CG ASP A 7 -9. .478 1. .632 -2, .204 1. 00 0. 00 c ATOMO 83 OD1 ASP A 7 -10. ,526 0. .958 -2 .105 1. 00 0. 00 o ATOMO 84 OD2 ASP A 7 -8.947 1.912 -3.299 1.00 0.00 0 ATOMO 85 H ASP A 7 -6 .188 0 .668 -2.113 1.00 0. 00 H ATOMO 86 HA ASP A 7 -6 .938 2 .759 -1.724 1.00 0. 00 H ATOMO 87 1HB ASP A 7 -9 .177 1 .539 -0.107 1.00 0. 00 H ATOMO 88 2HB ASP A 7 -9 .105 3 .160 -0.786 1.00 0. 00 H ATOMO 89 N GLN A 8 -5 .787 1 .550 0.883 1.00 0. 00 N ATOMO 90 CA GLN A 8 -5 .144 1 .818 2.158 1.00 0. 00 C ATOMO 91 C GLN A 8 -3 .646 2 .038 1.959 1.00 0. 00 C ATOMO 92 0 GLN A 8 -3 .072 1 .568 0.977 1.00 0. 00 0 ATOMO 93 CB GLN A 8 -5 .383 0 .671 3.140 1.00 0. 00 C ATOMO 94 CG GLN A 8 -6 .844 0 .270 3.261 1.00 0. 00 C ATOMO · 95 CD GLN A 8 -7 .736 1 .430 3.653 1.00 0. 00 C ATOMO 96 OEl GLN A 8 -7 .546 2 .049 4.701 1.00 0. 00 0 ATOMO 97 NE2 GLN A 8 -8 .720 1 .732 2.812 1.00 0. 00 N ATOMO 9B H GLN A 8 -5 .545 0 .732 0.397 1.00 0. 00 H ATOMO 99 HA GLN A 8 -5 .575 2 .720 2.557 1.00 0. 00 H ATOMO 100 1HB GLN A 8 - .819 -o, .189 2.815 1.00 0. 00 H ATOMO 101 2HB GLN A 8 -5 .033 0 .971 4.117 1.00 0. 00 H ATOMO 102 1HG GLN A 8 -7 .177 -0 .115 2.308 1.00 0. 00 H ATOMO 103 2HG GLN A 8 -6 .930 -0 .503 4.010 1.00 0. 00 H ATOMO 104 1HE2 GLN A 8 -8 .812 1 .196 1.996 1.00 0. 00 H ATOMO 105 2HE2 GLN A 8 -9 .312 2 .478 3.042 1.00 0. 00 H ATOMO 106 N PRO A 9 -2 .990 2 .771 2.876 1.00 0. 00 N ATOMO 107 CA PRO A 9 -1 .558 3 .056 2.765 1.00 0. 00 c ATOMO 108 C PRO A 9 -0 .681 1 .820 2.897 1.00 0. 00 c ATOMO 109 O PRO A 9 -0 .945 0 .930 3.706 1.00 0. 00 o ATOMO 110 CB PRO A 9 -1 .280 4 .024 3.915 1.00 0. 00 c ATOMO 111 CG PRO A 9 -2 .395 3 .813 4.883 1.00 0. 00 c ATOMO 112 CD PRO A 9 -3 .588 3 .396 4.072 1.00 0. 00 c ATOMO 113 HA PRO A 9 -1 .333 3 .545 1.831 1.00 0. 00 H ATOMO 114 1HB PRO A 9 -0 .323 3 .791 4.360 1.00 0. 00 H ATOMO 115 2HB PRO A 9 -1 .268 5 .031 3.535 1.00 0. 00 H ATOMO 116 1HG PRO A 9 -2 .130 3 .036 5.584 1.00 0. 00 H ATOMO 117 2HG PRO A 9 -2 .604 4 .733 5.405 1.00 0. 00 H ATOMO 118 1HD PRO A 9 -4 .184 2 .684 4.622 1.00 0. 00 H ATOMO 119 2HD PRO A 9 -4 .181 4 .256 3.800 1.00 0. 00 H ATOMO 120 N CYS A 10 0 .373 1 .793 2.095 1.00 0. 00 N ATOMO 121 CA CYS A 10 1 .328 0 .692 2.101 1.00 0. 00 c ATOMO 122 C CYS A 10 2 .753 1 .231 2.126 1.00 0. 00 c ATOMO 123 O CYS A 10 2 .969 2 .440 2.181 1.00 0. 00 o ATOMO 124 CB CYS A 10 1 .131 -0 .194 0.870 1.00 0. 00 c ATOMO 125 SG CYS A 10 1 .012 0 .725 -0.698 1.00 0. 00 S ATOMO 126 H CYS A 10 0 .518 2 .545 1.485 1.00 0. 00 H ATOMO 127 HA CYS A 10 1 .157 0 .105 2.991 1.00 0. 00 H ATOMO 128 1HB CYS A 10 1 .965 -0 .875 0.788 1.00 0. 00 H ATOMO 129 2HB CYS A 10 0 .223 -0 .761 0.990 1.00 0. 00 H ATOMO 130 N SER A 11 3 .719 0 .325 2.083 1.00 0. 00 N ATOMO 131 CA SER A 11 5 .125 0 .709 2.095 1.00 0. 00 c ATOMO 132 C SER A 11 5 .932 -0 .153 1.132 1.00 0. 00 c ATOMO 133 0 SER A 11 5 .563 -1 .293 0.843 1.00 0. 00 o ATOMO 134 CB SER A 11 5 .701 0 .592 3.508 1.00 0. 00 c ATOMO 135 OG SER A 11 6 .580 1 .668 3.791 1.00 0. 00 0 ATOMO 136 H SER A 11 3 .480 -0 .622 2.037 1.00 0. 00 H ATOMO 137 HA SER A 11 5 .189 1 .738 1.776 1.00 0. 00 H ATOMO 138 1HB SER A 11 4 .895 0. .606 4.224 1.00 0. 00 H ATOMO 139 2HB SER A 11 6. .246 -0 .336 3.598 1.00 0. 00 H ATOMO 140 HG SER A 11 6 .107 2 .499 3.705 1.00 0. 00 H ATOMO 141 N LEU A 12 7.031 0.399 0.638 1.00 0.00 N ATOMO 142 CA LEU A 12 7. 894 -0. 316 -0 .297 1.00 0. 00 c ATOMO 143 C LEU A 12 8. 594 -1. 495 0 .379 1.00 0. 00 c ATOMO 144 0 LEU A 12 9. 001 -2. 448 -0 .288 1.00 0. 00 0 ATOMO 145 CB LEU A 12 8. 931 0. 630 -0 .918 1.00 0. 00 c ATOMO 146 CG LEU A 12 9. 742 1. 479 0 .068 1.00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 647 0. 602 0 .920 1.00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 561 2. 519 -0 .684 1.00 0. 00 c ATOMO 149 H LEU A 12 7. 267 1. 310 0 .907 1.00 0. 00 H ATOMO 150 HA LEU A 12 7. 265 -0. 701 -1 .085 1.00 0. 00 H ATOMO 151 1HB LEU A 12 9. 623 0. 036 -1 .496 1.00 0. 00 H ATOMO 152 2HB LEU A 12 8. 414 1. 299 -1 .589 1.00 0. 00 H ATOMO 153 HG LEU A 12 9. 068 2. 001 0 .728 1.00 0. 00 H ATOMO 154 1HD1 LEU A 12 11. 591 1. 102 1 .081- 1.00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 817 -0. 337 0 .415 1.00 0. 00 H ATOMO 156 3HD1 LEU A 12 10. 172 0. ,416 1 .873 1.00 0. 00 H ATOMO 157 1HD2 LEU A 12 9. 967 2. 934 -1 .485 1.00 0. 00 H ATOMO 158 2HD2 LEU A 12 11. 444 2. 052 -1 .095 1.00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 852 3. 307 -0 .006 1.00 0. 00 H ATOMO 160 N ASN A 13 8. 735 -1. 431 1 .701 1.00 0. 00 N ATOMO 161 CA ASN A 13 9, 388 -2. 498 2 .452 1.00 0. 00 c ATOMO 162 C ASN A 13 8. 382 -3. 325 3 .258 1.00 0. 00 c ATOMO 163 0 ASN A 13 8. 776 -4. 142 4 .091 1.00 0. 00 0 ATOMO 164 CB ASN A 13 10. 445 -1. 913 3 .389 1.00 0. 00 c ATOMO 165 CG ASN A 13 9. 877 -0. 850 4 .308 1.00 0. 00 c ATOMO 166 OD1 ASN A 13 8. 943 -1. 104 5 .068 1.00 0. 00 o ATOMO 167 ND2 ASN A 13 10. 440 0. 352 4 .244 1.00 0. 00 N ATOMO 168 H ASN A 13 8. 396 -0. 652 2 .183 1.00 0. 00 H ATOMO 169 HA ASN A 13 9·. 875 -3. 146 1 .741 1.00 0. 00 H ATOMO 170 1HB ASN A 13 10. 857 -2. 704 3 .9.96 1.00 0. 00 H ATOMO 171 2HB ASN A 13 11. 234 -1. 469 2 .800 1.00 0. 00 H ATOMO 172 1HD2 ASN A 13 11. 180 0. 482 3 .615 1.00 0. 00 H ATOMO 173 2HD2 ASN A 13 10. 093 1. 058 4 .828 1.00 0. 00 H ATOMO 174 N THR A 14 7. 087 -3. 116 3 .015 1.00 0. 00 N ATOMO 175 CA THR A 14 6. 054 -3. 852 3 .729 1.00 0. 00 c ATOMO 176 C THR A 14 5. 426 -4. 912 2 .830 1.00 0. 00 c ATOMO 177 0 THR A 14 5. 834 -5. 091 1 .682 1.00 0. 00 o ATOMO 178 CB THR A 14 4. 977 -2. 893 4 .237 1.00 0. 00 c ATOMO 179 OG1 THR A 14 4. 479 -2. 094 3 .178 1.00 0. 00 o ATOMO 180 CG2 THR A 14 5. 471 -1. 962 5 .321 1.00 0. 00 c ATOMO 181 H THR A 14 6. 819 -2. 460 2 .345 1.00 0. 00 H ATOMO 182 HA THR A 14 6. 517 -4. 340 4 .572 1.00 0. 00 H ATOMO 183 HB THR A 14 4. 157 -3. 468 4 .642 1.00 0. 00 H ATOMO 184 HG1 THR A 14 3. 656 -2. 466 2 .855 1.00 0. 00 H ATOMO 185 1HG2 THR A 14 5. 431 -2. 467 6 .275 1.00 0. 00 H ATOMO 186 2HG2 THR A 14 4. 845 -1. 082 5 .353 1.00 0. 00 H ATOMO 187 3HG2 THR A 14 6. 491 -1. 672 5 .110 1.00 0. 00 H ATOMO 188 N GLN A 15 4. 432 -5. 613 3 .362 1.00 0. 00 N ATOMO 189 CA GLN A 15 3. 743 -6. 657 2, .617 1.00 0. 00 c ATOMO 190 C GLN A 15 3. 022 -6. 074 1. .402 1.00 0. 00 c ATOMO 191 0 GLN A 15 2. 664 -4. 896 1, .395 1.00 0. 00 0 ATOMO 192 CB GLN A 15 2. 738 -7. 377 3, .519 1.00 0. 00 c ATOMO 193 CG GLN A 15 3. 268 -7. 679 4 , .914 1.00 0. 00 c ATOMO 194 CD GLN A 15 2. 419 -7. 065 6. .012 1.00 0. 00 c ATOMO 195 OE1 GLN A 15 1. 727 -6. 071 5. .795 1.00 0. 00 0 ATOMO 196 NE2 GLN A 15 2. 69 -7. 657 7, .199 1.00 0. 00 N ATOMO 197 H GLN A 15 4. 156 -5. 423 4. .281 1.00 0. 00 H ATOMO 198 HA GLN A 15 4.483 -7.367 2.277 1.00 0.00 H ATOMO 199 1HB GLN A 15 1 .856 -6. 762 3. 616 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2 .463 -8. 310 3. 054 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 3 .287 -8. 749 5. 053 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 4 .272 -7. 288 4. 996 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 3 .042 -8. 446 7. 300 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 1 .931 -7. 282 7. 927 1 .00 0. 00 H ATOMO 205 N PRO A 16 2 .786 -6. 890 0. 353 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2 .092 -6. 429 -0. 854 1 .00 0. 00 C ATOMO 207 C PRO A 16 0 .646 -6. 042 -0. 564 1 .00 0. 00 C ATOMO 208 0 PRO A 16 0 .198 -6. 107 0. 580 1 .00 0. 00 0 ATOMO 209 CB PRO A 16 2 .145 -7. 640 -1. 792 1 .00 0. 00 C ATOMO 210 CG PRO A 16 2 .339 -8. 812 -0. 893 1 .00 0. 00 C ATOMO 211 CD PRO A 16 3 .161 -8. 314 0. 262 1 .00 0. 00 C ATOMO 212 HA PRO A 16 2 .603 -5. 593 -1. 309 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1 .219 -7. 713 -2. 342 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 2 .971 -7. 531 -2. 478 1 .00 0. 00 H ATOMO 215 1HG PRO A 16 1 .382 -9. 171 -0. 545 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 2 .866 -9. 595 -1. 418 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 2 .900 -8. 843 1. 167 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4 .215 -8. 422 0. 049 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0 .080 -5. 639 -1. 600 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1 .473 -5. 244 -1. 442 1 .00 0. 00 C ATOMO 221 C CYS A 17 -2 .404 -6. 435 -1. 638 1 .00 0. 00 C ATOMO 222 O CYS A 17 -1 .964 -7. 542 -1. 954 1 .00 0. 00 O ATOMO 223 CB CYS A 17 -1 .832 -4. 129 -2. 425 1 .00 0. 00 C ATOMO 224 SG CYS A 17 -0 .759 -2. 660 -2. 313 1 .00 0. 00 S ATOMO 225 H CYS A 17 0 .329 -5. 607 -2. 491 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1 .598 -4. 874 -0. 435 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1 .764 -4. 510 -3. 433 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2 .846 -3. 808 -2. 234 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3 .693 -6. 196 -1. 439 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4 .707 -7. 232 -1. 579 1 .00 0. 00 C ATOMO 231 C CYS A 18 -5 .472 -7. 068 -2. 886 1 .00 0. 00 C ATOMO 232 O CYS A 18 -5 .380 -6. 035 -3. 546 1 .00 0. 00 O ATOMO 233 CB CYS A 18 -5 .681 -7. 176 -0. 398 1 .00 0. 00 C ATOMO 234 SG CYS A 18 -4 .880 -7. 239 1. 238 1 .00 0. 00 S ATOMO 235 H CYS A 18 -3 .970 -5. 293 -1. 183 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4 .209 -8. 190 -1. 581 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6 .242 -6. 255 -0. 450 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6 .364 -8. 008 -0. 4 2 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6 .228 -8. 096 -3. 257 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -7 .014 -8. 069 -4. 490 1 .00 0. 00 C ATOMO 241 C ASP A 19 -6 .135 -7. 748 -5. 697 1 .00 0. 00 C ATOMO 242 O ASP A. 19 -6 .588 -7. 137 -6. 664 1 .00 0. 00 O ATOMO 243 CB ASP A 19 -8 .140 -7. 039 -4. 377 1 .00 0. 00 C ATOMO 244 CG ASP A 19 -9 .059 -7. 313 -3. 203 1 .00 0. 00 C ATOMO 245 ODl ASP A 19 -10 .286 -7. 400 -3. 417 1 .00 0. 00 O ATOMO 246 OD2 ASP A 19 -8 .552 -7. 441 -2. 069 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6 .259 -8. 892 -2. 688 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7 .448 -9. 048 -4. 627 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7 .709 -6. 057 -4. 252 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8 .728 -7. 057 -5. 283 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4 .874 -8. 164 -5. 628 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3 .923 -7. 923 -6. 707 1 .00 0. 00 C ATOMO 253 C ASP A 20 -3 .671 -6. 430 -6. 888 1 .00 0. 00 C ATOMO 254 0 ASP A 20 -3 .507 -5. 949 -8. 010 1 .00 0. 00 O ATOMO 255 CB ASP A 20 -4.430 -8.533 -8.017 1.00 0.00 ATOMO 256 CG ASP A 20 -4. 930 -9. 954 -7 .840 1. 00 0. 00 ATOMO 257 ODl ASP A 20 -5. 741 -10. 405 -8 .677 1. 00 0. 00 ATOMO 258 0D2 ASP A 20 -4. 513 -10. 613 -6 .865 1. 00 0. 00 ATOMO 259 H ASP A 20 -4. 574 -8. 644 -4 .829 1, 00 0. 00 ATOMO 260 HA ASP A 20 -2. 993 -8. 399 -6 .436 1. 00 0. 00 ATOMO 261 1HB ASP A 20 -5. 240 -7. 931 -8 .398 1. 00 0. 00 ATOMO 262 2HB ASP A 20 -3. 624 -8. 542 -8 .736 1. 00 0. 00 ATOMO 263 N ALA A 21 -3. 634 -5. 702 -5 .777 1. 00 0. 00 ATOMO 264 CA ALA A 21 -3. 395 -4. 264 -5 .813 1. 00 0. 00 ATOMO 265 C ALA A 21 -1. 908 -3. 962 -5 .958 1. 00 0. 00 ATOMO 266 0 ALA A 21 -1. 074 -4. 868 -5 .932 1, 00 0. 00 ATOMO 267 CB ALA A 21 -3. 947 -3. 599 -4 .559 1. 00 0. 00 ATOMO 268 H ALA A 21 -3. 767 -6. 145 -4 .912 1. 00 0. 00 ATOMO 269 HA ALA A 21 -3. 918 -3. 860 -6 .667 1. 00 0. 00 ATOMO 270 1HB ALA A 21 -3. 983 -4. 318 -3 .758 1. 00 0. 00 ATOMO 271 2HB ALA A 21 -4. 941 -3. 229 -4 ,757 1. 00 0. 00 ATOMO 272 3HB ALA A 21 -3. 306 -2. 775 -4 .275 1. 00 0. 00 ATOMO 273 N THR A 22 -1. 583 -2. 684 -6 .106 1. 00 0. 00 ATOMO 274 CA THR A 22 -0. 199 -2. 260 -6 .254 1. 00 0. 00 ATOMO 275 C THR A 22 0. 087 -1. 036 -5 .390 1. 00 0. 00 ATOMO 276 0 THR A 22 -0. 737 -0. 126 -5 .294 1. 00 0. 00 ATOMO 277 CB TH A 22 0. 103 -1. 946 -7 .719 1. 00 0. 00 ATOMO 278 OG1 THR A 22 -0. 161 -3. 073 -8 .537 1. 00 0. 00 ATOMO 279 CG2 THR A 22 1. 536 -1. 531 -7 .959 1. 00 0. 00 ATOMO 280 H THR A 22 -2. 290 -2. 008 -6 .119 1, 00 0. 00 ATOMO 281 HA THR A 22 0. 34 -3. 072 -5 .929 1. 00 0. 00 ATOMO 282 HB THR A 22 -0. 535 -1. 136 -8 .040 1. 00 0. 00 ATOMO 283 HGl THR A 22 -1. 090 -3. 085 -8 .775 1. 00 0. 00 ATOMO 284 1HG2 THR A 22 1. 630 -0. 464 -7 .817 1. 00 0. 00 ATOMO 285 2HG2 THR A 22 1. 821 -1. 786 -8 .968 1. 00 0. 00 ATOMO 286 3HG2 THR A 22 2. 181 -2. 044 -7 .262 1. 00 0. 00 ATOMO 287 N CYS A 23 1. 261 -1. 019 -4 .767 1. 00 0. 00 ATOMO 288 CA CYS A 23 1. 657 0. 097 -3 .919 1. 00 0. 00 ATOMO 289 C CYS A 23 2. 161 1. 246 -4 .788 1. 00 0. 00 ATOMO 290 O CYS A 23 3. 1 3 1. 127 -5 .450 1. 00 0. 00 ATOMO 291 CB CYS A 23 2. 745 -0. 356 -2 .940 1. 00 0. 00 ATOMO 292 SG CYS A 23 2. 898 0. 684 -1 .451 1. 00 0. 00 ATOMO 293 H CYS A 23 1. 875 -1. 773 -4 .887 1. 00 0. 00 ATOMO 294 HA CYS A- 23 0. 791 0. 425 -3 .364 1. 00 0. 00 ATOMO 295 1HB CYS A 23 2. 528 -1. 362 -2 .613 1. 00 0. 00 ATOMO 296 2HB CYS A 23 3. 699 -0. 347 -3 .446 1. 00 0. 00 ATOMO 297 N THR A 24 1. 412 2. 346 -4 .812 1. 00 0. 00 ATOMO 298 CA THR A 24 1. 768 3. 496 -5 .631 1. 00 0. 00 ATOMO 299 C THR A 24 1. 898 4. 773 -4 .802 1. 00 0. 00 ATOMO 300 O THR A 24 1. 308 4. 906 -3 .730 1. 00 0. 00 ATOMO 301 CB THR A 24 0. 715 3. 690 -6 .733 1. 00 0. 00 ATOMO 302 OG1 THR A 24 0. 771 2. 628 -7 .668 1. 00 0. 00 ATOMO 303 CG2 THR A 24 0. 863 4. .987 -7 .508 1. 00 0. 00 ATOMO 304 H THR A 24 0. 589 2. 377 -4 .287 1. 00 0. 00 ATOMO 305 HA THR A 24 2. 720 3. 290 -6 .096 1. 00 0. 00 ATOMO 306 HB THR A 24 -0. 266 3. 688 -6 .279 1. 00 0. 00 ATOMO 307 HGl THR A 24 -0. 076 2. 550 -8 .115 1. 00 0. 00 ATOMO 308 1HG2 THR A 24 0. 646 5. 820 -6 .853 1. 00 0. 00 ATOMO 309 2HG2 THR A 24 0. 177 4. 992 -8 .339 1. 00 0. 00 ATOMO 310 3HG2 THR A 24 1. 875 5. 074 -7 .873 1. 00 0. 00 ATOMO 311 N GLN A 25 2. 663 5. 714 -5 .342 G. 00 0. 00 ATOMO 312 CA GLN A 25 2.880 7.003 -4.713 1.00 0.00 c ATOMO 313 C GLN A 25 1 .632 7.872 -4. 851 1. 00 0. 00 c ATOMO 314 O GLN A 25 1 .025 7.943 -5. 920 1. 00 0. 00 0 ATOMO 315 CB GLN A 25 . 4 .085 7.697 -5. 357 1. 00 0. 00 c ATOMO 316 CG GLN A 25 4 .304 9.118 -4. 870 1. 00 0. 00 c ATOMO 317 CD GLN A 25 5 .692 9.641 -5. 186 1. 00 0. 00 c ATOMO 318 OE1 GLN A 25 5 .855 10.557 -5. 993 1. 00 0. 00 0 ATOMO 319 NE2 GLN A 25 6 .701 9.060 -4. 549 1. 00 0. 00 N ATOMO 320 H GLN A 25 3 .081 5.538 -6. 207 1. 00 0. 00 H ATOMO 321 HA GLN A 25 3 .085 6.844 -3. 665 1. 00 0. 00 H ATOMO 322 1HB GLN A 25 4 .974 7.126 -5. 139 1. 00 0. 00 H ATOMO 323 2HB GLN A 25 3 .939 7.725 -6. 427 1. 00 0. 00 H ATOMO 324 1HG GLN A 25 3 .576 9.757 -5. 345 1. 00 0. 00 H ATOMO 325 2HG GLN A 25 4 .158 9.141 -3. 802 1. 00 0. 00 H ATOMO 326 1HE2 GLN A 25 6 .497 8.337 -3. 920 1. 00 0. 00 H ATOMO 327 2HE2 GLN A 25 7 .610 9.378 -4. 734 1. 00 0. 00 H ATOMO 328 N GLU A 26 1 .258 8.528 -3. 763 1. 00 0. 00 N ATOMO 329 CA GLU A 26 0 .086 9.394 -3. 751 1. 00 0. 00 c ATOMO 330 C GLU A 26 0 .255 10.518 -2. 735 1. 00 0. 00 c ATOMO 331 O GLU A 26 1 .288 10.621 -2. 074 1. 00 0. 00 0 ATOMO 332 CB GLU A 26 -1 .169 8.581 -3. 430 1. 00 0. 00 c ATOMO 333 CG GLU A 26 -1 .358 7.376 -4. 338 1. 00 0. 00 c ATOMO 334 CD GLU A 26 -2 .657 6.638 -4. 075 1. 00 0. 00 c ATOMO 335 OE1 GLU A 26 -3 .346 6.972 -3. 088 1. 00 0. 00 0 ATOMO 336 OE2 GLU A 26 -2 .986 5.722 -4. 857 1. 00 0. 00 0 ATOMO 3.37 H GLU A 26 1 .786 8.427 -2. 945 1. 00 0. 00 H ATOMO 338 HA GLU A 26 -0 .017 9.825 -4. 735 1. 00 0. 00 H ATOMO 339 1HB GLU A 26 -1 .107 8.232 -2. 411 1. 00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .033 9.220 -3. 531 1. 00 0. 00 H ATOMO 341 1HG GLU A 26 -1 .356 7.712 -5. 364 1. 00 0. 00 H ATOMO 342 2HG GLU A 26 -0 .535 6.694 -4. 183 1. 00 0. 00 H ATOMO 343 N ARG A 27 -0 .766 11.359 -2. 617 1. 00 0. 00 N ATOMO 344 CA ARG A 27 -0 .731 12.478 -1. 681 1. 00 0. 00 c ATOMO 345 C ARG A 27 -1 .751 12.286 -0. 565 1. 00 0. 00 c ATOMO 346 0 ARG A 27 -2 .856 11.796 -0. 798 1. 00 0. 00 0 ATOMO 347 CB ARG A 27 -1 .003 13.791 -2. 417 1. 00 0. 00 c ATOMO 348 CG ARG A 27 0 .200 14.319 -3. 182 1. 00 0. 00 c ATOMO 349 CD ARG A 27 0 .172 15.835 -3. 285 1. 00 0. 00 c ATOMO 350 NE ARG A 27 -0 .782 16.297 -4. 293 1. 00 0. 00 N ATOMO 351 CZ ARG A 27 -1 .185 17.562 -4. 416 1. 00 0. 00 c ATOMO 352 NH1 ARG A 27 -0 .724 18.503 -3. 597 1. 00 0. 00 N ATOMO 353 NH2 ARG A 27 -2 .055 17.888 -5. 361 1. 00 0. 00 N ATOMO 354 H ARG A 27 -1 .562 11.224 -3. 172 1. 00 0. 00 H ATOMO 355 HA ARG A 27 0 .258 12.517 -1. 247 1. 00 0. 00 K ATOMO 356 1HB ARG A 27 -1 .809 13.638 -3. 119 1. 00 0. 00 H ATOMO 357 2HB ARG A 27 -1 .301 14.539 -1. 697 1. 00 0. 00 H ATOMO 358 1HG ARG A 27 1 .101 14.021 -2. 666 1. 00 0. 00 H ATOMO 359 2HG ARG A 27 0 .195 13.899 -4. 176 1. 00 0. 00 H ATOMO 360 1HD ARG A 27 -0 .107 16.244 -2. 325 1. 00 0. 00 H ATOMO 361 2HD ARG A 27 1 .159 16.183 -3. 551 1. 00 0. 00 H ATOMO 362 HE ARG A 27 -1 .142 15.628 -4. 912 1. 00 0. 00 H ATOMO 363 1HH1 ARG A 27 -0, .068 18.267 -2. 881 1. 00 0. 00 H ATOMO 364 2HH1 ARG A 27 -1 .034 19.448 -3. 700 1. 00 0. 00 H ATOMO 365 1HH2 ARG A 27 -2 .406 17.186 -5. 980 1. 00 0. 00 H ATOMO 366 2HH2 ARG A 27 -2. .359 18.836 -5. 455 1. 00 0. 00 H ATOMO 367 N ASN A 28 -1, .374 12.675 0. 648 1. 00 0. 00 N ATOMO 368 CA ASN A 28 -2. .259 12.545 1. 800 1. 00 0. 00 c ATOMO 369 C ASN A 28 -2.941 13.872 2.116 1.00 0.00 C ATOMO 370 0 ASN A 28 -2. 766 14. 857 1.399 1 .00 0. 00 0 ATOMO 371 CB ASN A 28 -1. 476 12. 055 3.021 1 .00 0. 00 C ATOMO 372 CG ASN A 28 -0. 397 13. 031 3.449 1 .00 0. 00 C ATOMO 373 OD1 ASN A 28 -0. 133 14. 021 2.76B 1 .00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 232 12. 756 4.586 1 .00 0. 00 N ATOMO 375 H ASN A 28 -0. 480 13. 059 0.773 1 .00 0. 00 H ATOMO 376 HA ASN A 28 -3. 015 11. 815 1.554 1 .00 0. 00 H ATOMO 377 1HB ASN A 28 -2. 157 11. 917 3.846 1 .00 0. 00 H ATOMO 378 2HB ASN A 28 -1. 007 11. 113 2.784 1 .00 0. 00 H ATOMO 379 1HD2 ASN A 28 -0. 031 11. 950 5.077 1 .00 0. 00 H ATOMO 380 2HD2 ASN A 28 0. 934 13. 371 4.887 1 .00 0. 00 H ATOMO 381 N GLU A 29 -3. 717 13. 890 3.194 1 .00 0. 00 N ATOMO 382 CA GLU A 29 -4. 423 15. 094 3.607 1 .00 0. 00 C ATOMO 383 C GLU A 29 -3. 441 16. 215 3.929 1 .00 0. 00 c ATOMO 384 0 GLU A 29 -3. 744 17. 393 3.736 1 .00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 295 14. 796 4.826 1 .00 0. 00 c ATOMO 386 CG GLU A 29 -4. 513 14. 287 6.026 1 .00 0. 00 c ATOMO 387 CD GLU A 29 -5. 411 13. 861 7.170 1 .00 0. 00 c ATOMO 388 0E1 GLU A 29 -6. 116 14. 729 7.726 1 .00 0. 00 0 ATOMO 389 OE2 GLU A 29 -5. 410 12. 659 7.509 1 .00 0. 00 0 ATOMO 390 H GLU A 29 -3. 816 13. 074 3.727 1 .00 0. 00 H ATOMO 391 HA GLU A 29 -5. 055 15. 406 2.790 1 .00 0. 00 H ATOMO 392 1HB GLU A 29 -5. 808 15. 699 5.115 1 .00 0. 00 H ATOMO 393 2HB GLU A 29 -6. 027 14. 049 4.557 1 .00 0. 00 H ATOMO 394 1HG GLU A 29 -3. 920 13. 439 5.718 1 .00 0. 00 H ATOMO 395 2HG GLU A 29 -3. 860 15. 075 6.373 1 .00 0. 00 H ATOMO 396 N ASN A 30 -2. 262 15. 841 4.418 1 .00 0. 00 N ATOMO 397 CA ASN A 30 -1. 235 16. 816 4.766 1 .00 0. 00 c ATOMO 398 C ASN A 30 -0. 566 17. 374 3.512 1 .00 0. 00 c ATOMO 399 O ASN A 30 -0. 102 18. 514 3.502 1 .00 0. 00 0 ATOMO 400 CB ASN A 30 -0. 186 16. 177 5.677 1 .00 0. 00 c ATOMO 01 CG ASN A 30 -0. 653 16. 077 7.115 1 .00 0. 00 c ATOMO 402 OD1 ASN A 30 -1. 670 15. 449 7.408 1 .00 0. 00 o ATOMO 403 ND2 ASN A 30 0. 091 16. 699 8.024 1 .00 0. 00 N ATOMO 404 H ASN A 30 -2. 080 14. 888 4.548 1 .00 0. 00 H ATOMO 405 HA ASN A 30 -1. 714 17. 626 5.294 1 .00 0. 00 H ATOMO 406 1HB ASN A 30 0. 036 15. 183 5.320 1 .00 0. 00 H ATOMO 407 2HB ASN A 30 0. 715 16. 773 5.650 1 .00 0. 00 H ATOMO 408 1HD2 ASN A 30 0. 888 17. 180 7.718 1 .00 0. 00 H ATOMO 409 2HD2 ASN A 30 -0. 188 16. 651 8.962 1 .00 0. 00 H ATOMO 410 N GLY A 31 -0. 519 16. 565 2.458 1 .00 0. 00 N ATOMO 411 CA GLY A 31 0. 096 17. 000 1.215 1 .00 0. 00 c ATOMO 412 C GLY A 31 1. 458 16. 370 0.961 1 .00 0. 00 c ATOMO 413 O GLY A 31 2. 086 16. 646 -0.061 1 .00 0. 00 0 ATOMO 414 H GLY A 31 -0. 904 15. 665 2.522 1 .00 0. 00 H ATOMO 415 1HA GLY A 31 -0. 561 16. 745 0.397 1 .00 0. 00 H ATOMO 416 2 HA GLY A 31 0. 211 18. 074 ' 1.245 1 .00 0. 00 H ATOMO 417 N HIS A 32 1. 921 15. 522 1.880 1 .00 0. 00 N ATOMO 418 CA HIS A 32 3. 214 14. 865 1.725 1 .00 0. 00 c ATOMO 419 C HIS A 32 3. 078 13. 598 0.887 1 .00 0. 00 c ATOMO 420 O HIS A 32 2. 012 12. 981 0.847 1 .00 0. 00 0 ATOMO 421 CB HIS A 32 3. 806 14. 529 3.095 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5. 280 14. 775 3.186 1 .00 0. 00 c ATOMO 423 ND1 HIS A 32 6. 212 13. 759 3.244 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 5. 985 15. 931 3.230 1 .00 0. 00 c ATOMO 425 CE1 HIS A 32 7. 423 14. 279 3.321 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 7.313 15.595 3.313 1.00 0.00 ATOMO 427 H HIS A 32 1. 384 15. 331 2. 674 1 .00 0. 00 ATOMO 428 HA HIS A 32 3. 874 15. 550 1. 214 1 .00 0. 00 ATOMO 429 1HB HIS A 32 3. 322 15. 135 3. 846 1 .00 0. 00 ATOMO 430 2HB HIS A 32 3. 628 13. 486 3. 312 1 .00 0. 00 ATOMO 431 HD1 HIS A 32 6. 013 12. 800 3. 231 1.00 0. 00 ATOMO 432 HD2 HIS A 32 5. 577 16. 931 3. 205 1 .00 0. 00 ATOMO 433 HE1 HIS A 32 8. 347 13. 724 3. 379 1 .00 0. 00 ATOMO 434 HE2 HIS A 32 8. 052 16. 225 3. 447 1 .00 0. 00 ATOMO 435 N THR A 33 4. 159 13. 214 0. 216 1 .00 0. 00 ATOMO 436 CA THR A 33 4. 149 12. 020 -0. 620 1 .00 0. 00 ATOMO 437 C THR A 33 4. 018 10. 761 0. 230 1 .00 0. 00 ATOMO 438 0 THR A 33 4. 728 10. 588 1. 220 1 .00 0. 00 ATOMO 439 CB THR A 33 5. 419 11. 943 -1. 467 1 .00 0. 00 ATOMO 440 OG1 THR A 33 5. 572 13. 113 -2. 251 1 .00 0. 00 ATOMO 441 CG2 THR A 33 5. 438 10. 753 -2. 405 1 .00 0. 00 ATOMO 442 H THR A 33 4. 979 13. 746 0. 284 1 .00 0. 00 ATOMO 443 HA THR A 33 3. 295 12. 085 -1. 277 1 .00 0. 00 ATOMO 444 HB THR A 33 6. 274 11. 860 -0. 811 1 .00 0. 00 ATOMO 445 HG1 THR A 33 6. 298 13. 638 -1. 907 1 .00 0. 00 ATOMO 446 1HG2 THR A 33 6. 449 10. 574 -2. 742 1 .00 0. 00 ATOMO 447 2HG2 THR A 33 4. 806 10. 957 -3. 257 1 .00 0. 00 ATOMO 448 3HG2 THR A 33 5. 071 9. 879 -1. 885 1 .00 0. 00 ATOMO 449 N VAL A 34 3. 104 9. 886 -0. 170 1 .00 0. 00 ATOMO 450 CA VAL A 34 2. 872 8. 638 0. 543 1 .00 0. 00 ATOMO 451 C VAL A 3 2. 665 7.491 -0. 434 1 .00 0. 00 ATOMO 452 O VAL A 34 2. 596 7. 698 -1. 643 1 .00 0. 00 ATOMO 453 CB VAL A 34 1. 644 8. 737 1. 468 1 .00 0. 00 ATOMO 454 CG1 VAL A 34 1. 896 9. 730 2. 592 1 .00 0. 00 ATOMO 455 CG2 VAL A 34 0. 407 9. 126 0. 671 1 .00 0. 00 ATOMO 456 H VAL A 34 2. 573 10. 083 -0. 970 1 .00 0. 00 ATOMO 457 HA VAL A 34 3. 740 8. 428 1. 150 1 .00 0. 00 ATOMO 458 HB VAL A 34 1. 471 7. 767 1. 907 1 .00 0. 00 ATOMO 459 1HG1 VAL A 34 2. 571 10. 501 2. 248 1 .00 0. 00 ATOMO 460 2HG1 VAL A 34 2. 336 9. 217 3. 433 1 .00 0. 00 ATOMO 461 3HG1 VAL A 34 0. 961 10. 180 2. 892 1 .00 0. 00 ATOMO 462 1HG2 VAL A 34 0. 379 10. 200 0. 552 1 .00 0. 00 ATOMO 463 2HG2 VAL A 34 -0. 477 8. 798 1, 197 1 .00 0. 00 ATOMO 464 3HG2 VAL A 34 0. 443 8. 657 -0. 301 1 .00 0. 00 ATOMO 465 N ' TYR A 35 2. 567 6. 281 0. 096 1 .00 0. 00 ATOMO 466 CA TYR A 35 2. 360 5. 098 -0. 733 1 .00 0. 00 ATOMO 467 C TYR A 35 1. 042 4. 422 -0. 373 1 .00 0. 00 ATOMO 468 0 TYR A 35 0. 800 4. 098 0. 789 1 .00 0. 00 ATOMO 469 CB TYR A 35 3. 523 4. 119 -0. 558 1 .00 0. 00 ATOMO 470 CG TYR A 35 4. 879 4. 729 -0. 834 1 .00 0. 00 ATOMO 471 CD1 TYR A 35 5. 177 5. 270 -2.' 078 1 .00 0. 00 ATOMO 472 CD2 TYR A 35 5. 861 4. 763 0. 148 1 .00 0. 00 ATOMO 473 CE1 TYR A 35 6. 415 5. 828 -2. 335 1 .00 0. 00 ATOMO 474 CE2 TYR A 35 7. 101 5. 318 -0. 101 1 .00 0. 00 ATOMO 475 CZ TYR A 35 7. 373 5. 849 -1. 344 1 .00 0. 00 ATOMO 476 OH TYR A 35 8. 607 6. 405 -1. 597 1 .00 0. 00 ATOMO 477 H TYR A 35 2. 631 6. 181 1. 069 1 .00 0. 00 ATOMO 478 HA TYR A 35 2. 319 5. .416 -1. 764 1 .00 0. 00 ATOMO 479 1HB TYR A 35 3. 526 3. 751 0. 456 1 .00 0. 00 ATOMO 480 2HB TYR A 35 3. 388 3. 291 -1. 236 1 .00 0. 00 ATOMO 481 HD1 TYR A 35 4. 425 5. 252 -2. 852 1 .00 0. 00 ATOMO 482 HD2 TYR A 35 5. 646 4. 344 1. 121 1 .00 0. 00 ATOMO 483 HEl TYR A 35 6.628 6.245 -3.309 1.00 0.00 H ATOMO 484 HE2 TYR A 35 7. 852 5. 335 0. 675 1.00 0. 00 H ATOMO 485 HH TYR A 35 8. 495 7. 231 -2. 073 1:00 0. 00 H ATOMO 486 N TYR A 36 0. 183 4. 223 -1. 370 1.00 0. 00 N ATOMO 487 CA TYR A 36 -1. 117 3. 596 -1. 142 1.00 0. 00 C ATOMO 488 C TYR A 36 -1. 319 2. 381 -2. 042 1.00 0. 00 c ATOMO 489 0 TYR A 36 -0. 569 2. 165 -2. 993 1.00 0. 00 0 ATOMO 490 CB TYR A 36 -2. 239 4. 611 -1. 372 1.00 0. 00 c ATOMO 491 CG TYR A 36 -2. 686 5. 316 -0. 112 1.00 0. 00 c ATOMO 492 CD1 TYR A 36 -1. 786 6. 043 0. 656 1.00 0. 00 c ATOMO 493 CD2 TYR A 36 -4. 008 5. 255 0. 309 1.00 0. 00 c ATOMO 494 CEl TYR A 36 -2. 191 6. 690 1. 809 1.00 0. 00 c ATOMO 495 CE2 TYR A 36 -4. 421 5. 898 1. 460 1.00 0. 00 c ATOMO 496 CZ TYR A 36 -3. 508 6. 613 2. 206 1.00 0. 00 c ATOMO 497 OH TYR A 36 -3. 915 7. 255 3. 354 1.00 0. 00 0 ATOMO 498 H TYR A 36 0. 423 4. 510 -2. 277 1.00 0. 00 H ATOMO 499 HA TYR A 36 -1. 149 3. 270 -0. 115 1.00 0. 00 H ATOMO 500 1HB TYR A 36 -1. 899 5. 362 -2. 069 1.00 0. 00 H ATOMO 501 2HB TYR A 36 -3. 096 4. 102 -1. 790 1.00 0. 00 H ATOMO 502 HD1 TYR A 36 -0. 754 6. 101 0. 342 1.00 0. 00 H ATOMO 503 HD2 TYR A 36 -4. 721 4. 694 -0. 277 1.00 0. 00 H ATOMO 504 HEl TYR A 36 -1. 476 7. 249 2. 393 1.00 0. 00 H ATOMO 505 HE2 TYR A 36 -5. 453 5. 838 1. 771 1.00 0. 00 H ATOMO 506 HH TYR A 36 -4. 700 7. 776 3. 169 1.00 Q . 00 H ATOMO 507 N CYS A 37 -2. 342 1. 592 -1. 726 1.00 0. 00 N ATOMO 508 CA CYS A 37 -2. 654 0. 389 -2. 496 1.00 0. 00 c ATOMO 509 C CYS A 37 -3. 808 0. 646 -3. 458 1.00 0. 00 c ATOMO 510 0 CYS A 37 -4. 818 1. 245 -3. 091 1.00 0. 00 o ATOMO 511 CB CYS A 37 -3. 013 -o. 767 -1. 557 1.00 0. 00 c ATOMO 512 SG CYS A 37 -1. 571 -1. 578 -0. 798 1.00 0. 00 s ATOMO 513 H CYS A 37 -2. 892 1. 821 -0. 948 1.00 0. 00 H ATOMO 514 HA CYS A 37 -1. 779 0. 118 -3. 066 1.00 0. 00 H ATOMO 515 1HB CYS A 37 -3. 643 -0. 397 -0. 761 1.00 0. 00 H ATOMO 516 2HB CYS A 37 -3. 555 -1. 517 -2. 109 1.00 0. 00 H ATOMO 517 N ARG A 38 -3. 644 0. 190 -4. 696 1.00 0. 00 N ATOMO 518 CA ARG A 38 -4. 662 0. 368 -5. 720 1.00 0. 00 c ATOMO 519 C ARG A 38 -4. 944 -0. 947 -6. 435 1.00 0. 00 c ATOMO 520 O ARG A 38 -4. 028 -1. 615 -6. 916 1.00 0. 00 0 ATOMO 521 CB ARG A 38 -4. 217 1. 426 -6. 731 1.00 0. 00 c ATOMO 522 CG ARG A 38 -3. 979 2. 794 -6. 112 1.00 0. 00 c ATOMO 523 CD ARG A 38 -5. 288 3. 507 -5. 822 1.00 0. 00 c ATOMO 524 NE ARG A 38 -5. 176 4. 953 -6. 014 1.00 0. 00 N ATOMO 525 CZ ARG A 38 -6. 143 5. 824 -5. 722 1.00 0. 00 c ATOMO 526 NHl ARG A 38 -7. 302 5. 407 -5. 226 1.00 0. 00 N ATOMO 527 NH2 ARG A 38 -5. 948 7. 119 -5. 929 1.00 0. 00 N ATOMO 528 H ARG A 38 -2. 815 -0. 278 -4. 927 1.00 0. 00 H ATOMO 529 HA ARG A 38 -5. 566 0. 703 -5. 236 1.00 0. 00 H ATOMO 530 1HB ARG A 38 -3. 298 1. 101 -7. 196 1.00 0. 00 H ATOMO 531 HB ARG A 38 -4. 978 1. 527 -7. 490 1.00 0. 00 H ATOMO 532 1HG ARG A 38 -3. 435 2. 669 -5. 187 1.00 0. 00 H ATOMO 533 2HG ARG A 38 -3. 396 3. 392 -6. 797 1.00 0. 00 H ATOMO 534 1HD ARG A 38 -6. 048 3. 123 -6. 485 1.00 0. 00 H ATOMO 535 2HD ARG A 38 -5. 571 3. 311 -4. 798 1.00 0. 00 H ATOMO 536 HE ARG A 38 -4. 331 5. 295 -6. 378 1.00 0. 00 H ATOMO 537 1HH1 ARG A 38 -7. 459 4. 433 -5. 066 1.00 0. 00 H ATOMO 538 2HH1 ARG A 38 -8. 020 6. 069 -5. 011 1.00 0. 00 H ATOMO 539 1HH2 ARG A 38 -5. 078 7. 441 -6 . 301 1.00 0. 00 H ATOMO 540 2HH2 ARG A 38· -6.672 7.774 -5.710 1.00 0..00 H ATOMO 541 N ALA A 39 -6 .217 -1 .312 -6. 499 1.00 0. ,00 N ATOMO 542 CA ALA A 39 -6 .625 -2 .549 -7. 153 1.00 0. 00 c ATOMO 543 C ALA A 39 -6 .390 -2 .479 -8. 658 1.00 0. 00 C ATOMO 544 0 ALA A 39 -5 .755 -1 .504 -9. 112 1.00 0. .00 0 ATOMO 545 CB ALA A 39 -8 .088 -2 .844 -6. 857 1.00 0. .00 C ATOMO 546 OXT ALA A 39 -6 .842 -3 .401 -9. 370 1.00 0. ,00 o ATOMO 547 H ALA A 39 -6 .898 -0 .736 -6. 096 1.00 0. .00 H ATOMO 548 HA ALA A 39 -6 .030 -3 .353 -6. 742 1.00 0. ,00 H ATOMO 549 1HB ALA A 39 -8 .179 -3 .249 -5. 860 1.00 0. ,00 H ATOMO 550 2HB ALA A 39 -8 .463 -3 .561 -7. 573 1.00 0. ,00 H ATOMO 551 3HB ALA A 39 -8 .661 -1 .932 -6. 928 1.00 0. ,00 H TER 552 ALA A 39 ENDMDL MODELO 23 ATOMO 1 N GLY A 1 -4 .389 -14 .685 3. 504 1.00 0. ,00 N ATOMO 2 CA GLY A 1 -2 .991 -14 .210 3. 310 1.00 0. ,00 c ATOMO 3 C GLY A 1 -2 .777 -12 .806 3. 842 1.00 0. ,00 c ATOMO 4 0 GLY A 1 -3 .693 -11 .984 3. 830 1.00 0. ,00 0 ATOMO 5 1H GLY A 1 -5 .034 -13 .874 3. 586 1.00 0. ,00 H ATOMO 6 2H GLY A 1 -4 .456 -15 .256 4. 370 1.00 0. ,00 H ATOMO 7 3H GLY A 1 -4 .683 -15 .268 2. 693 1.00 0. 00 H ATOMO 8 1HA GLY A 1 -2 .320 -14 .883 3. 823 1.00 0. 00 H ATOMO 9 2HA GLY A 1 -2 .760 -14 .223 2. 256 1.00 0. 00 H ATOMO 10 N SER A 2 -1 .563 -12 .531 4. 309 1.00 0. 00 N ATOMO 11 CA SER A 2 -1 .230 -11 .217 4. 849 1.00 0. 00 c ATOMO 12 C SER A 2 -0 .896 -10 .237 3. 728 1.00 0. 00 c ATOMO 13 0 SER A 2 0 .112 -10 .388 3. 038 1.00 0. 00 0 ATOMO 14 CB SER A 2 -0 .051 -11 .324 5. 817 1.00 0. 00 c ATOMO 15 OG SER A 2 0 .879 -12 .302 5. 382 1.00 0. 00 0 ATOMO 16 H SER A 2 -0 .875 -13 .229 4. 292 1.00 0. 00 H ATOMO 17 HA SER A 2 -2 .092 -10 .852 5. 385 1.00 0. 00 H ATOMO 18 1HB SER A 2 0 .452 -10 .370 5. 876 1.00 0. 00 H ATOMO 19 2HB SER A 2 -0 .414 -11 .601 6. 796 1.00 0. 00 H ATOMO 20 HG SER A 2 1 .497 -11 .905 4. 764 1.00 0. 00 H ATOMO 21. N CYS A 3 -1 .749 -9 .234 3. 553 1.00 0. 00 N ATOMO 22 CA CYS A 3 -1 .547 -8 .227 2. 521 1.00 0. 00 c ATOMO 23 C CYS A 3 -2 .193 -6 .907 2. 922 1.00 0. 00 c ATOMO 24 O CYS A 3 -2 .966 -6 .848 3. 879 1.00 0. 00 0 ATOMO 25 CB CYS A 3 -2 .122 -8 .705 1. 184 1.00 0. 00 c ATOMO 26 SG CYS A 3 -3 .899 -9 .109 1. 232 1.00 0. 00 s ATOMO 27 H CYS A 3 -2 .533 -9 .163 4. 136 1.00 0. 00 H ATOMO 28 HA CYS A 3 -0 .483 -8 .075 2. 411 1.00 0. 00 H ATOMO 29 1HB CYS A 3 -1 .983 -7 .931 0. 445 1.00 0. 00 H ATOMO 30 2HB CYS A 3 -1 .591 -9 .592 0. 871 1.00 0. 00 H ATOMO 31 N VAL A 4 -1 .875 -5 .853 2. 184 1.00 0. 00 N ATOMO 32 CA VAL A 4 -2 .424 -4 .537 2. 455 1.00 0. 00 c ATOMO 33 C VAL A 4 -3 .759 -4 .350 1. 729 1.00 0. 00 c ATOMO 34 O VAL A 4 -3 .855 -4 .613 0. 535 1.00 0. 00 0 ATOMO 35 CB VAL A 4 -1 .435 -3 .444 2. 011 1.00 0. 00 c ATOMO 36 CGl VAL A 4 -1 .998 -2 .055 2. 264 1.00 0. 00 c ATOMO 37 CG2 VAL A 4 -0 .108 -3 .631 2. 726 1.00 0. 00 c ATOMO 38 H VAL A 4 -1 .257 -5 .962 1. 434 1.00 0. 00 H ATOMO 39 HA VAL A 4 -2, .571 - .451 3. 518 1.00 0. 00 H ATOMO 40 HB VAL A 4 -1. .265 -3 .551 0. 951 1.00 0. 00 H ATOMO 41 1HG1 VAL A 4 -1. .212 -1 .324 2. 165 1.00 0. 00 H ATOMO 42 2HG1 VAL A 4 -2. .412 -2 .011 3. 260 1.00 0. 00 H ATOMO 43 3HG1 VAL A 4 -2.776 -1.849 1.542 1.00 0.00 H ATOMO 44 1HG2 VAL A 4 0.051 -4 .684 2 .914 i.00 0.00 H ATOMO 45 2HG2 VAL A 4 -0.127 -3 .098 3 .664 1.00 0.00 H ATOMO 46 3HG2 VAL A 4 0.691 -3 .251 2 .108 1.00 0.00 H ATOMO 47 N PRO A 5 -4.815 -3 .885 2 .427 1.00 0.00 N ATOMO 48 CA PRO A 5 -6.121 -3 .678 1 .800 1.00 0.00 c ATOMO 49 C PRO A 5 -6.085 -2 .547 0 .777 1.00 0.00 c ATOMO 50 0 PRO A 5 -5.495 -1 .487 1 .018 1.00 0.00 0 ATOMO 51 CB PRO A 5 -7.050 -3 .316 2 .970 1.00 0.00 c ATOMO 52 CG PRO A .5 -6.284 -3 .641 4 .210. 1.00 0.00 c ATOMO 53 CD PRO A 5 -4.832 -3 .520 3 .852 1.00 0.00 c ATOMO 54 HA PRO A 5 -6.474 -4 .581 1 .320 1.00 0.00 H ATOMO 55 1HB PRO A 5 -7.296 -2 .266 2 .925 1,00 0.00 H ATOMO 56 2HB PRO A 5 -7.955 -3 .902 2 .904 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6.536 -2 .939 4 .991 1.00 0.00 H ATOMO 58 2HG PRO A 5 -6.509 -4 .649 4 .525 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4.489 -2 .505 3 .996 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4.241 -4 .206 4 .435 1.00 0.00 H ATOMO 61 N VAL A 6 -6.730 -2 .763 -0 .365 1.00 0.00 N.

ATOMO 62 CA VAL A 6 -6.773 -1 .757 -1 .407 1.00 0.00 c ATOMO 63 C VAL A 6 -7.384 -0 .477 -0 .867 1.00 0.00 c ATOMO 64 0 VAL A 6 -8.196 -0 .508 0 .056 1.00 0.00 O ATOMO 65 CB VAL A 6 -7.561 -2 .256 -2 .633 1.00 0.00 c ATOMO 66 CG1 VAL A 6 - .638 -1 .188 -3 ,713 1.00 0.00 c ATOMO 67 CG2 VAL A 6 -6.912 -3 .514 -3 .179 1.00 0.00 c ATOMO 68 H VAL A 6 -7.1.94 -3 .609 -0 .504 1.00 0.00 H ATOMO 69 HA VAL A 6 -5.757 -1 .555 -1 .715 1.00 0.00 H ATOMO 70 HB VAL A 6 -8.565 -2 .499 -2 .322 1.00 0.00 H ATOMO 71 1HG1 VAL A 6 -8.100 -0 .301 -3 .306 1.00 0.00 H ATOMO 72 2HG1 VAL A 6 -8.226 -1 .556 -4 .540 1.00 0.00 H ATOMO 73 3HG1 VAL A 6 -6.642 -0 .952 -4 .055 1.00 0.00 H ATOMO 74 1HG2 VAL A 6 -5.838 -3 .423 -3 .103 1.00 0.00 H ATOMO 75 2HG2 VAL A 6 -7.190 -3 .643 -4 .214 1.00 0.00 H ATOMO 76 3HG2 VAL A 6 -7.242 -4 .367 -2 .605 1.00 0.00 H ATOMO 77 N ASP A 7 -6.950 0 .647 -1 .419 1.00 0.00 N ATOMO 78 CA ASP A 7 -7.402 1 .953 -0 .984 1.00 0.00 c ATOMO 79 C ASP A 7 -6.779 2 .321 0 .366 1.00 0.00 c ATOMO 80 0 ASP A 7 -7.114 3 .356 0 .942 1.00 0.00 0 ATOMO 81 CB ASP A 7 -8.927 2 .011 -0 .904 1.00 0.00 c ATOMO 82 CG ASP A 7 -9.593 1 .513 -2 .171 1.00 0.00 c ATOMO 83 OD1 ASP A 7 -9.235 2 .004 -3 .262 1.00 0.00 0 ATOMO 84 0D2 ASP A 7 -10.473 0 .632 -2 .073 1.00 0.00 O ATOMO 85 H ASP A 7 -6.282 0 .597 -2 .120 1.00 0.00 H ATOMO 86 HA ASP A 7 -7.067 2 .671 -1. .718 1.00 0.00 H ATOMO 87 1HB ASP A 7 -9.263 1 .401 -0 .079 1.00 0.00 H ATOMO 88 2HB ASP A 7 -9.227 3 .031 -0 .738 1.00 0.00 H ATOMO 89 N GLN A 8 -5.856 1 .483 0 .871 1.00 0.00 N ATOMO 90 CA GLN A 8 -5.201 1 .762 2 .137 1.00 0.00 c ATOMO 91 C GLN A 8 -3.709 2 .003 1, .922 1.00 0.00 c ATOMO 92 O GLN A 8 -3.139 1, .541 0, .932 1.00 0.00 O ATOMO 93 CB GLN A 8 -5.411 0 .612 3 .122 1.00 0.00 c ATOMO 94 CG GLN A 8 -6.859 0, .168 3 .237 1.00 0.00 c ATOMO 95 CD GLN A 8 -7.790 1, .307 3, .604 1.00 0.00 c ATOMO 96 0E1 GLN A 8 -7.607 1 .969 4, .625 1.00 0.00 0 ATOMO 97 NE2 GLN A 8 -8.798 1, .541 2, .771 1.00 0.00 N ATOMO 98 H GLN A 8 -5.603 0 .670 0, .379 1.00 0.00 H ATOMO 99 HA GLN A 8 -5.641 2 .658 2 .541 1.00 0.00 H ATOMO 100 1HB GLN A 8 -4.820 -0.232 2.803 1.00 0.00 H ATOMO 101 2HB GLN A 8 -5 .075 0 .926 4.100 1.00 0 .00 H ATOMO 102 1HG GLN A 8 -7 .173 -0 .240 2.288 1 .00 0 .00 H ATOMO 103 2HG GLN A 8 -6 .929 -0 .595 3.998 1 .00 0 .00 H ATOMO 104 1HE2 GLN A 8 -8 .882 0 .972 1.976 1 .00 0 .00 H ATOMO 105 2HE2 GLN A 8 -9 .415 2 .270 2.984 1 .00 0 .00 H ATOMO 106 N PRO A 9 -3 .051 2 .744 2.832 1.00 0 .00 N ATOMO 107 CA PRO A 9 -1 .625 3 .046 2.704 1 .00 0 .00 c ATOMO 108 C PRO A 9 -0 .734 1 .820 2.829 1 .00 0 .00 c ATOMO 109 0 PRO A 9 -0 .979 0 .929 3.645 1.00 0 .00 0 ATOMO 110 CB PRO A 9 -1 .344 4 .018 3.849 1 .00 0 .00 c ATOMO 111 CG PRO A 9 • -2 .446 3 .802 4.830 1 .00 0 .00 c ATOMO 112 CD PRO A 9 -3 .642 3 .358 4.037 1 .00 0 .00 c ATOMO 113 HA PRO A 9 -1 .416 3 .535 1.765 1 .00 0 .00 H ATOMO 114 1HB PRO A 9 -0 .380 3 .797 4.285 1 .00 0 .00 H ATOMO 115 2HB PRO A 9 -1 .344 5 .024 3.466 1 .00 0 .00 H ATOMO 116 1HG PRO A 9 -2 .162 3 .035 5.535 1 .00 0 .00 H ATOMO 117 2HG PRO A 9 -2 .663 4 .722 5.346 1 .00 0 .00 H ATOMO 118 1HD PRO A 9 -4 .214 2 .635 4.597 1 .00 0 .00 H ATOMO 119 2H0 PRO A 9 -4 .258 .205 3.774 1 .00 0 .00 H ATOMO 120 N CYS A 10 0 .311 1. .798 2.016 1 .00 0 .00 N ATOMO 121 CA CYS A 10 1 .275 0, .707 2.017 1.00 0 .00 c ATOMO 122 C CYS A 10 2 .697 1 .256 2.072 1 .00 0 .00 c ATOMO 123 0. CYS A 10 2 .903 2 .466 2.152 1 .00 0 .00 o ATOMO 124 CB CYS A 10 1 .102 -0, .164 0.772 1 .00 0 .00 c ATOMO 125 SG CYS A 10 0 .933 0, .778 -0.778 1 .00 0 .00 s ATOMO 126 H CYS A 10 0, .442 2. .549 1.401 1 .00 0 .00 H ATOMO 127 HA CYS A 10 1. .098 0. .106 2.896 1 .00 0 .00 H ATOMO 128 1HB CYS A 10 1, .958 -0. ,812 0.671 1, .00 0 .00 H ATOMO 129 2HB CYS A 10 0. .215 -0. .768 0.889 1, .00 0 .00 H ATOMO 130 N SER A 11 3. .671 0. .359 2.027 1, .00 0, .00 N ATOMO 131 CA SER A 11 5. .075 0. , 51 2.069 1. .00 0 .00 c ATOMO 132 C SER A 11 5. .920 -0. ,160 1.187 1, .00 0, .00 c ATOMO 133 0 SER A 11 5. .558 -1. ,309 0.936 1. .00 0. .00 o ATOMO 134 CB SER A 11 5. .596 0. ,715 3.506 1, ,00 0, .00 c ATOMO 135 OG SER A 11 6. .508 1. .774 3.746 1. ,00 0, .00 o ATOMO 136 H SER A 11 3. .441 -0. ,589 1.963 1. .00 0. .00 H ATOMO 137 HA SER A 11 5. .147 1. 762 1.695 1. .00 0. .00 H ATOMO 138 1HB SER A 11 4. ,767 0. 809 4.190 1. ,00 .0. .00 H ATOMO 139 2HB SER A 11 6. ,101 -0. 225 3.680 1. ,00 0. .00 H ATOMO 140 HG SER A 11 6. ,028 2. 604 3.790 1. ,00 0.. .00 H ATOMO 141 N LEU A 12 7. 050 0. 362 0.722 1. ,00 0. .00 N ATOMO 142 CA LEU A 12 7. 949 -0. 408 -0.133 1. ,00 0. .00 c ATOMO 143 C LEU A 12 8. 654 -1. 521 0.647 1. 00 0. ,00 c ATOMO 144 O LEU A 12 9- 206 -2. 446 0.050 1. 00 0. ,00 o ATOMO 145 CB LEU A 12 8. 988 0. 505 -0.797 1. 00 0. ,00 c ATOMO 146 CG LEU A 12 9. 592 1. 593 0.099 1. 00 0. 00 c ATOMO 147 CDl LEU A 12 10. 123 0. 997 1.393 1. 00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 697 2. 327 -0.641 1. 00 0. 00 c ATOMO 149 H LEU A 12 7. 283 1. 281 0.960 1. 00 0. 00 H ATOMO 150 HA LEU A 12 7. 349 -0. 863 -0.906 1. 00 0. 00 H ATOMO 151 1HB LEU A 12 9. 793 -0. 113 -1.164 1. 00 0. 00 H ATOMO 152 2HB LEU A 12 8. 518 0. 989 -1.640 1. 00 0. 00 H ATOMO 153 HG LEU A 12 8. 827 2. 312 0.350 1. 00 0. 00 H ATOMO 154 1HD1 LEU A 12 10. 895 1. 638 1.792 1. 00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 534 0. 019 1.198 1. 00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 319 0. 915 2.109 1. 00 0. 00 H ATOMO 157 1HD2 LEU A 12 11.253 1.625 -1.244 1.00 0.00 H ATOMO 158 2HD2 LEU A 12 ii. 359 2 .794 0. 073 1 .00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 262 3 .084 -1. 278 1 .00 0. 00 H ATOMO 160 N ASN A 13 8. 634 -1 .435 1. 978 1 .00 0. 00 N ATOMO 161 CA ASN A 13 9. 274 -2 .443 2. 816 1 .00 0. 00 C ATOMO 162 C ASN A 13 8. 248 -3 .338 3. 519 1 .00 0. 00 C ATOMO 163 0 ASN A 13 8. 619 -4 .317 4. 167 1 .00 0. 00 0 ATOMO 164 CB ASN A 13 10. 174 -1 .771 3. 855 1 .00 0. 00 C ATOMO 165 CG ASN A 13 9. 478 -0 .634 4. 577 1 .00 0. 00 C ATOMO 166 ODl ASN A 13 8. 400 -0 .811 5. 144 1 .00 0. 00 o ATOMO 167 ND2 ASN A 13 10. 093 0 .542 4. 559 1 .00 0. 00 N ATOMO 168 H ASN A 13 8. 183 -0 .682 2. 406 1 .00 0. 00 H ATOMO 169 HA ASN A 13 9. 884 -3 .058 2. 176 1 .00 0. 00 H ATOMO 170 1HB ASN A 13 10. 476 -2 .505 4. 588 1 .00 0. 00 H ATOMO 171 2HB ASN A 13 11. 051 -1 .378 3. 362 1 .00 0. 00 H ATOMO 172 1HD2 ASN A 13 10. 949 0 .611 4. 087 1 .00 0. 00 H ATOMO 173 2HD2 ASN A 13 9. 666 1 .296 5. 017 1 .00 0. 00 H ATOMO 174 N THR A 14 6. 962 -3 .009 3. 394 1 .00 0. 00 N ATOMO 175 CA THR A 14 5. 913 -3 .797 4. 023 1 .00 0. 00 c ATOMO 176 C THR A 14 5. 383 -4 .858 3. 064 1 .00 0. 00 c ATOMO .177 0 THR A 14 5. 921 -5 .047 1. 973 i-.00 0. 00 o ATOMO 178 CB THR A 14 4. 771 -2 .887 4. 483 1 .00 0. 00 c ATOMO 179 OGl THR A 14 4. 139 -2 .276 3. 372 1 .00 0. 00 0 ATOMO 180 CG2 THR A 14 5. 223 -1 .785 5. 417 1 .00 0. 0.0 c ATOMO 181 H THR A 14 6. 712 -2 .224 2. 870 1 .00 0. 00 H ATOMO 182 HA THR A 14 6. 338 -4 .288 4. 885 1 .00 0. 00 H ATOMO 183 HB THR A 14 4. 037 -3 .482 5. 005 1 .00 0. 00 H ATOMO 184 HGl THR A 14 3. 225 -2 .078 3. 592 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 5. 089 -2 .105 6. 440 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 4. 637 -0 .897 5. 236 1 .00 0. 00 H ATOMO 187 3HG2 THR A 14 6. 267 -1 .570 5. 241 1 .00 0. 00 H ATOMO 188 N GLN A 15 4. 329 -5 .547 3. 481 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3. 721 -6 .593 2. 668 1 .00 0. 00 c ATOMO 190 C GLN A 15 3. 011 -5 .997 1. 451 1 .00 0. 00 c ATOMO 191 O GLN A 15 2. 601 -4 .836 1. 476 1 .00 0. 00 o ATOMO 192 CB GLN A 15 2. 725 -7 .404 3. 502 1 .00 0. 00 c ATOMO 193 CG GLN A 15 3. 195 -7 .692 4. 920 1 .00 0. 00 c ATOMO 194 CD GLN A 15 2. 573 -6 .758 5. 941 1 .00 0. 00 c ATOMO 195 0E1 GLN A 15 1. 514 -6 .178 5. 704 1 .00 0. 00 0 ATOMO 196 NE2. GLN A 15 3. 233 -6 .608 7. 084 1 .00 0. 00 N ATOMO 197 H GLN A 15 3. 950 -5 .350 4. 360 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4. 509 -7 .247 2. 326 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 1. 795 -6 .857 3. 559 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2. 546 -8 .344 3. 008 1 .00 0. 00 H ATOMO 201 ÍHG GLN A 15 2. 927 -8 .706 5. 176 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 4. 268 -7 .582 4. 960 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 4. 071 -7 .101 7. 203 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 2. 853 -6 .009 7. 762 1 .00 0. 00 H ATOMO 205 N PRO A 16 2. 844 -6 .783 0. 366 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2. 168 -6 .309 -0. 847 1 .00 0. 00 c ATOMO 207 C PRO A 16 0. 709 -5 .960 -0. 583 1 .00 0. 00 c ATOMO 208 0 PRO A 16 0: 246 -6 .020 0. 555 1 .00 0. 00 0 ATOMO 209 CB PRO A 16 2. 269 -7 .498 -1. 811 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2. 493 -8 .684 -0. 937 1 .00 0. 00 c ATOMO 211 CD PRO A 16 3. 287 -8 .185 0. 235 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2. 669 -5 .453 -1. 272 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1. 351 -7 .588 -2. 372 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 3.097 -7.346 -2.487 1.00 0.00 H ATOMO 215 1HG PRO A 16 1. 543 -9 .080 -0.607 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 3. 049 -9 .436 -1.474 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 3. 046 -8 .751 1.123 1 .00 0. 00 H ATOMO 218 2H0 PRO A 16 4. 345 -8 .237 0.026 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0. 013 -5 .591 -1.636 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1. 418 -5 .230 -1.504 1 .00 0. 00 c ATOMO 221 C CYS A 17 -2. 320 -6 .447 -1.680 1 .00 0. 00 c ATOMO 222 0 CYS A 17 -1. 851 -7 .551 -1.960 1 .00 0. 00 0 ATOMO 223 CB CYS A 17 -1. 792 -4 .148 -2.518 1 .00 0. 00 c ATOMO 224 SG CYS A 17 -0. 782 -2 .636 -2.405 1 .00 0. 00 S ATOMO 225 H CYS A 17 0. 410 -5 .559 -2.519 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1. 565 -4 .839 -0.510 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1. 679 -4 .544 -3.516 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2. 823 -3 .866 -2.363 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3. 616 -6 .231 -1.500 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4. 605 -7 .295 -1.623 1 .00 0. 00 c ATOMO 231 C CYS A 18 -5. 359 -7 .186 -2.942 1 .00 0. 00 c ATOMO 232 O CYS A 18 -5. 296 -6 .162 -3.622 1 .00 0. 00 o ATOMO 233 CB CYS A 18 -5. 594 -7 .229 -0.455 1 .00 0. 00 c ATOMO 234 SG CYS A 18 -4. 816 -7 .298 1.191 1 .00 0. 00 s ATOMO 235 H CYS A 18 -3. 916 -5 .329 -1.270 1 .00 0. 00 H ATOMO 236 HA CYS A 18 -4. 085 -8 .240 -1.591 1 .00 0. 00 H ATOMO 237 1HB CYS A 18 -6. 146 -6 .303 -0.516 1 .00 0. 00 H ATOMO 238 2HB CYS A 18 -6. 284 -8 .056 -0.527 1 .00 0. 00 H ATOMO 239 N ASP A 19 -6. 072 -8 .248 -3.301 1 .00 0. 00 N ATOMO 240 CA ASP A 19 -6. 841 -8 .273 -4.543 1 .00 0. 00 c ATOMO 241 C ASP A 19 -5. 959 -7 .946 -5.746 1 .00 0. 00 c ATOMO 242 0 ASP A 19 -6. 421 -7 .373 -6.732 1 .00 0. 00 o ATOMO 243 CB ASP A 19 -8. 005 -7 .284 -4.467 1 .00 0. 00 c ATOMO 244 CG ASP A 19 -9. 177 -7 .829 -3.673 1 .00 0. 00 c ATOMO 245 ODl ASP A 19 -10. 119 -8 .362 -4.296 1 .00 0. 00 o ATO*MO 246 0D2 ASP A 19 -9. 152 -7 .721 -2.429 1 .00 0. 00 o ATOMO 247 H ASP A 19 -6. 081 -9 .032 -2.716 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7. 238 -9 .271 -4.665 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 667 -6 .375 -3-993 1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8. 345 -7 .059 -5.467 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4. 684 -8 .313 -5.651 1 .00 0, 00 N ATOMO 252 CA ASP A 20 -3. 726 -8 .060 -6.723 1 .00 0. 00 c ATOMO 253 C ASP A 20 -3. 516 -6 .564 -6.931 1 .00 0. 00 c ATOMO 254 o ASP A 20 -3. 344 -6 .102 -8.059 1 .00 0. 00 0 ATOMO 255 CB ASP A 20 -4. 195 -8 .710 -8.028 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -3. 093 -8 .781 -9.066 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -3. 310 -8 .295 -10.197 1 .00 0. 00 o ATOMO 258 0D2 ASP A 20 -2. 012 -9 .320 -8.749 1 .00 0. 00 o ATOMO 259 H ASP A 20 -4. 378 -8 .764 -4.837 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2. 786 -8 .501 -6.431 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -4. 534 -9 .715 -7.822 1 .00 0. 00 H ATOMO 262 2HB AS A 20 -5. 013 -8 .135 -8.436 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3. 525 -5 .812 -5.836 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3. 327 -4 .367 -5.903 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1. 848 -4 .029 -6.040 1 .00 0. 00 c ATOMO 266 0 ALA A 21 -0. 993 -4 .915 -6.016 1 .00 0. 00 o ATOMO 267 CB ALA A 21 -3. 910 -3 .687 -4.671 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3. 663 -6 .238 -4.964 1 .00 0. 00 H ATOMO ' 269 HA ALA A 21 -3. 852 -3 .999 -6.772 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3. 971 -4 .399 -3.864 1 .00 0. 00 H ATOMO 271 2HB. ALA A 21 -4.898 -3.315 -4.898 1.00 0.00 H ATOMO 272 3HB ALA A 21 -3. 275 -2 .863 -4. 377 1. 00 0. 00 H ATOMO 273 N THR A 22 -1. 554 -2 .743 -6. 180 1. 00 0. 00 N ATOMO 274 CA THR A 22 -0. 181 -2 .285 -6. 318 1. 00 0. 00 c ATOMO 275 C THR A 22 0. 060 -1 .041 -5. 472 1. 00 0. 00 c ATOMO 276 0 THR A 22 -0. 793 -0 .156 -5. 395 1. 00 0. 00 0 ATOMO 277 CB THR A 22 0. 130 -1 .990 -7. 785 1. 00 0. 00 c ATOMO 278 OG1 THR A 22 -0. 088 -3 .139 -8. 585 1. 00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 553 -1 .535 -8. 015 1. 00 0. 00 c ATOMO 280 H THR A 22 -2. 278 -2 .085 -6. 191 1. 00 0. 00 H ATOMO 281 HA THR A 22 0. 469 -3 .075 -5. 972 1. 00 0. 00 H ATOMO 282 HB THR A 22 -0. 528 -1 .206 -8. 131 1. 00 0. 00 H ATOMO 283 HG1 THR A 22 -1. 016 -3 .192 -B. 822 1. 00 0. 00 H ATOMO 284 1HG2 THR A 22 1. 672 -1 .234 -9. 045 1. 00 0. 00 H ATOMO 285 2HG2 THR A 22 2. 230 -2 .347 -7. 796 1. 00 0. 00 H ATOMO 286 3HG2 THR A 22 1. 771 -0 .699 -7. 367 1. 00 0. 00 H ATOMO 287 N CYS A 23 1. 227 -0 .977 -4. 841 1. 00 0. 00 N ATOMO 288 CA CYS A 23 1? 581 0 .164 -4. 006 1. 00 0. 00 c ATOMO 289 C CYS A 23 2. 029 1 .326 -4. 890 1. 00 0. 00 c ATOMO 290 0 CYS A 23 3. 063 1 .248 -5. 552 1. 00 0. 00 0 ATOMO 291 CB CYS A 23 2. 693 -0 .232 -3. 030 1. 00 0. 00 c ATOMO 292 SG CYS A 23 2. 810 0 .827 -1. 552 1. 00 0. 00 s ATOMO 293 H CYS A 23 1. 867 -1 .712 -4. 944 1. 00 0. 00 H ATOMO 294 HA CYS A 23 0. 704 0 .459 -3. 449 1. 00 0. 00 H ATOMO 295 1HB CYS A 23 2. 522 -1 .243 -2. 693 1. 00 0. 00 H ATOMO 296 2HB CYS A 23 3. 643 -0 .186 -3. 542 1. 00 0. 00 H ATOMO 297 N THR A 24 1. 231 2 .392 -4. 919 1. 00 0. 00 N ATOMO 298 CA THR A 24 1. 534 3 .551 -5. 748 1. 00 0. 00 c ATOMO 299 C THR A 24 1. .701 4 .819 -4. 915 1. 00 0. 00 c ATOMO 300 O THR A 24 1. 172 4 .939 -3. 810 1. 00 0. 00 0 ATOMO 301 CB THR A 24 0. 424 3 .751 -6. 790 1. 00 0. 00 c ATOMO 302 OG1 THR A 24 0. 420 2 .686 -7. 725 1. 00 0. 00 o ATOMO 303 CG2 THR A 24 0. 543 5 .046 -7. 574 1. 00 0. 00 c ATOMO 304 H THR A 24 0. 411 2 .391 -4. 389 1. 00 0. 00 H ATOMO 305 HA THR A 24 2. 461 3 .354 -6. 265 1. 00 0. 00 H ATOMO 306 HB THR A 24 -0. 532 3 .759 -6. 285 1. 00 0. 00 H ATOMO 307 HG1 THR A 24 1. 270 2 .648 -8. 170 1. 00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 311 5 .879 -6. 925 1. 00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 147 5 .031 -8. 402 1. 00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 552 5 .149 -7. 944 1. 00 0. 00 H ATOMO 311 N GLN A 25 2. 430 5 .768 -5. 488 1. 00 0. 00 N ATOMO 312 CA GLN A 25 2. 676 7 .054 -4. 860 1. 00 0. 00 c ATOMO 313 C GLN A 25 1. 423 7 .925 -4. 935 1. 00 0. 00 c ATOMO 314 O GLN A 25 0. 774 8 .009 -5. 978 1. 00 0. 00 0 ATOMO 315 CB GLN A 25 3. 851 7 .747 -5. 556 1. 00 0. 00 c ATOMO 316 CG GLN A 25 4. 095 9 .167 -5. 080 1. 00 0. 00 c ATOMO 317 CD GLN A 25 5. 457 9 .695 -5. 486 1. 00 0. 00 c ATOMO 318 OE1 GLN A 25 5. 563 10 .717 -6. 164 1. 00 0. 00 0 ATOMO 319 NE2 GLN A 25 6. 509 8 .998 -5. 072 1. 00 0. 00 N ATOMO 320 H GLN A 25 2. 799 5 .603 -6. 376 1·. 00 0. 00 H ATOMO 321 HA GLN A 25 2. 927 6 .885 -3. 824 1. 00 0. 00 H ATOMO 322 1HB GLN A 25 4. 749 7 .174 -5. 377 1. 00 0. 00 H ATOMO 323 2HB GLN A 25 3. 659 7 .774 -6. 618 1. 00 0. 00 H ATOMO 324 1HG GLN A 25 3. 335 9 .805 -5. 505 1. 00 0. 00 H ATOMO 325 2HG GLN A 25 4. 019 . 9 .186 -4. 005 1. 00 0. 00 H ATOMO 326 1HE2 GLN A 25 6. 349 8 .193 - . 535 1. 00 0. 00 H ATOMO 327 2HE2 GLN A 25 7. 402 9 .317 -5. 319 1. 00 0. 00 H ATOMO 328 N GLU A 26 1..095 8.569 -3..826 1.00 0.00 N ATOMO 329 CA GLU A 26 -0, ,074 9. 437 -3. .760 1 .00 0 .00 C ATOMO 330 C GLU A 26 0, .135 10. ,554 -2. .745 1 .00 0 .00 C ATOMO 331 0 GLU A 26 1. .201 10. 666 -2. .139 1 .00 0 .00 0 ATOMO 332 CB GLU A 26 -1. .317 8. 624 -3. ,395 1 .00 0 .00 c ATOMO 333 CG GLU A 26 -1. .581 7. 463 -4. .339 1 .00 0 .00 c ATOMO 334 CD GLU A 26 -2. .899 6. ,765 -4. ,054 1 .00 0 .00 c ATOMO 335 0E1 GLU A 26 -3. .431 6. 938 -2. .937 1 .00 0 .00 0 ATOMO 336 OE2 GLU A 26 -3, .396 6. 050 -4. ,947 1 .00 0 .00 0 ATOMO 337 H GLU A 26 1. .655 8. ,459 -3, ,031 1 .00 0 .00 H ATOMO 338 HA GLU A 26 -0, .217 9. ,876 -4. ,735 1 .00 0 .00 H ATOMO 339 1HB GLU A 26 -1, .197 8. 231 -2. .397 1 .00 0 .00 H ATOMO 340 2HB GLU A 26 -2. .178 9. 276 -3. .413 1 .00 0 .00 H ATOMO 341 1HG GLU A 26 -1. .603 7. ,836 -5, .353 1 .00 0 .00 H ATOMO 342 2HG GLU A 26 -0. .781 6. ,745 -4. .239 1 .00 0 .00 H ATOMO 343 N ARG A 27 -0. .889 11. 381 -2. ,568 1 .00 0 .00 N ATOMO 344 CA ARG A 27 -0. .820 12. 496 -1. ,628 1 .00 0 .00 c ATOMO 345 C ARG A 27 -1. .754 12. 270 -0. ,443 1 .00 0 .00 c ATOMO 346 O ARG A 27 -2. .788 11. 617 -0. .571 1 .00 0 .00 0 ATOMO 347 CB ARG A 27 -1. .179 13. 805 -2. ,332 1 .00 0 .00 c ATOMO 348 CG ARG A 27 -0. ,068 14. 342 -3. ,221 1 .00 0 .00 c ATOMO 349 CD ARG A 27 0. .758 15. 401 -2. 507 1 .00 0 .00 c ATOMO 350 NE ARG A 27 0. ,396 16. 753 -2. ,930 1 .00 0 .00 N ATOMO 351 CZ ARG A 27 0. .646 17. 249 -4. ,142 1 .00 0 .00 c ATOMO 352 NH1 ARG A 27 1. .257 16. 512 -5. 063 1 .00. 0 .00 N ATOMO 353 NH2 ARG A 27 0. ,283 18. 491 -4. 435 1 .00 0 .00 N ATOMO 354 H ARG A 27 -1. ,711 11. 240 -3. 082 1 .00 0 .00 H ATOMO 355 HA ARG A 27 0. ,194 12. 560 -1. 263 1 .00 0 .00 H ATOMO 356 1HB ARG A 27 -2. ,054 13. 644 -2. 944 1 .00 0 .00 H ATOMO 357 2HB ARG A 27 -1. 406 14. 551 -1. 585 1 .00 0 .00 H ATOMO 358 1HG ARG A 27 0. ,580 13. 526 -3. 503 1 .00 0 .00 H ATOMO 359 2HG ARG A 27 -0. 508 14. 777 -4. 106 1 .00 0 .00 H ATOMO 360 1HD ARG A 27 0. 596 15. 312 -1. 443 1 .00 0 .00 H ATOMO 361 2HD ARG A 27 1. 802 15. 233 -2. 726 1 .00 0 .00 H ATOMO 362 HE ARG A 27 -0. ,056 17. 325 -2. 274 l .00 0 .00 H ATOMO 363 1HH1 ARG A 27 1. 536 15. 576 -4. 853 1 .00 0 .00 H ATOMO 364 2HH1 ARG A 27 1. 439 16. 895 -5. 969 1 .00 0 .00 H ATOMO 365 1HH2 ARG A 27 -0. 178 19. 052 -3. 747 1 .00 0 .00 H ATOMO 366 2HH2 ARG A 27 0·. 469 18. 865 -5. 343 1 .00 0 .00 H ATOMO 367 N ASN A 28 -1. 381 12. 816 0. 711 1 .00 0, .00 N ATOMO 368 CA ASN A 28 -2. 184 12. 675 1. 919 1 .00 0, .00 c ATOMO 369 C ASN A 28 -2. 811 14. 009 2. 317 1, .00 0. .00 c ATOMO 370 0 ASN A 28 -2. 714 14. 994 1. 585 1 .00 0, .00 0 ATOMO 371 CB ASN A 28 -1. 326 12. 132 3. 065 1 .00 0, .00 c ATOMO 372 CG ASN A 28 -0. 220 13. 087 3. 472 1, .00 0, .00 c ATOMO 373 OD1 ASN A 28 -0. 002 14. 112 2. 827 1, .00 0. .00 o ATOMO 374 ND2 ASN A 28 0. 485 12. 756 4. 546 1, .00 0, .00 N ATOMO 375 H ASN A 28 -0. 544 13. 326 0. 750 1, .00 0, .00 H ATOMO 376 HA ASN A 28 -2. 976 11. 970 1. 711 1. .00 0, .00 H ATOMO 377 1HB ASN A 28 -1. 953 11. 953 3. 925 1. .00 0. .00 H ATOMO 378 2HB ASN A 28 -0. 874 11. 203 2. 756 1. .00 0. .00 H ATOMO 379 1HD2 ASN A 28 0. 257 11. 924 5. 012 1. .00 0. .00 H ATOMO 380 2HD2 ASN A 28 1. 206 13. 355 4. 832 1. .00 0. .00 H ATOMO 381 N GLU A 29 -3. 450 14. 035 3. 482 1. ,00 0. .00 N ATOMO 382 CA GLU A 29 -4. 091 15. 247 3. 976 1. .00 0. .00 c ATOMO 383 C GLU A 29 -3. 056 16. 336 4. 240 1. .00 0. .00 c ATOMO 384 O GLU A 29 -3. 322 17. 522 4. 041 1. .00 0. .00 0 ATOMO 385 CB GLO A 29 -4.874 14.951 5.256 1.00 0.00 C ATOMO 386 CG GLU A 29 -6 .317 14 .543 5 .006 1 .00 0.00 C ATOMO 387 CD GLU A 29 -7 .300 15 .655 5 .321 1 .00 0.00 c ATOMO 388 OEl GLU A 29 -7 .739 16 .344 4 .376 1 .00 0.00 0 ATOMO 389 0E2 GLU A 29 -7 .632 15 .836 6 .511 1 .00 0.00 0 ATOMO 390 H GLU A 29 -3 .494 13 .217 4 .022 1 .00 0.00 H ATOMO 391 HA GLU A 29 -4 .775 15 .594 3 .217 1 .00 0.00 H ATOMO 392 1HB GLU A 29 -4 .383 14 .149 5 .787 1 .00 0.00 H ATOMO 393 2HB GLU A 29 -4 .874 15 .834 5 .878 1 .00 0.00 H ATOMO 394 1HG GLÚ A 29 -6 .426 14 .271 3 .967 1 .00 0.00 H ATOMO 395 2HG GLU Á 29 -6 .549 13 .691 5 .628 1 .00 0.00 H ATOMO 396 N ASN A 30 -1 .873 15 .927 4 .688 1 .00 0.00 N ATOMO 397 CA ASN A 30 -0 .798 16 .869 4 .977 1 .00 0.00 C ATOMO 398 C ASN A 30 -0 .221 17 .452 3 .690 1 .00 0.00 c ATOMO 399 O ASN A 30 0 .269 18 .581 3 .676 i .00 0.00 o ATOMO 400 CB ASN A 30 0 .309 16 .182 5 .780 1 .00 0.00 C ATOMO 401 CG ASN A 30 -0 .028 16 .074 7 .255 1 .00 0.00 C ATOMO 402 ODl ASN A 30 0 .072 17 .050 7 .999 1 .00 0.00 0 ATOMO 403 ND2 ASN A 30 . -0 .431 14 .884 7 .685 1 .00 0.00 N ATOMO 404 H ASN A 30 -1 .720 14 .968 4 .825 1 .00 0.00 H ATOMO 405 HA ASN A 30 -1 .212 17 .672 5 .567 1 .00 0.00 H ATOMO 406 1HB ASN A 30 0 .463 15 .186 5 .392 1 .00 0.00 H ATOMO 407 2HB ASN A 30 1 .222 16 .749 5 .678 1 .00 0.00 H ATOMO 408 1HD2 ASN A 30 -0 .486 14 .153 7 .035 1 .00 0.00 H ATOMO 409 2HD2 ASN A 30 -0 .655 14 .787 8 .633 1 .00 0.00 H ATOMO 410 N GLY A 31 -0 .282 16 .677 2 .613 1 .00 0.00 N ATOMO 411 CA GLY A 31 0 .240 17 .136 1 .339 1 .00 0.00 c ATOMO 412 C GLY A 31 1 .612 16 .566 1 .020 1 .00 0.00 C ATOMO 413 0 GLY A 31 2 .304 17 .067 0 .134 1 .00 0.00 0 ATOMO 414 H GLY A 31 -0 .682 15 .783 2 .683 1 .00 0.00 H ATOMO 415 1HA GLY A 31 -0 .446 16 .848 0 .557 1 .00 0.00 H ATOMO 416 2HA GLY A 31 0 .308 18 .214 1 .361 1 .00 0.00 H ATOMO 417 N HIS A 32 2 .007 15 .515 1 .735 1 .00 0.00 N ATOMO 418 CA HIS A 32 3 .301 14 .883 1, .511 1 .00 0.00 C ATOMO 419 C HIS A 32 3 .139 13 .612 0, .685 1 .00 0.00 C ATOMO 420 0 HIS A 32 2 .060 13 .019 0, .649 1 .00 0.00 o ATOMO 421 CB HIS A 32 3 .971 14 .557 2, .847 1 .00 0.00 C ATOMO 422 CG HIS A 32 5 .465 14 .494 2, .767 1 .00 0.00 C ATOMO 423 NDl HIS A 32 6 .168 13 .309 2, .724 1 .00 0.00 N ATOMO 24 CD2 HIS A 32 6 .392 15 .481 2, .722 1 .00 0.00 c ATOMO 425 CEl HIS A 32 7 .462 13, .569 2. .657 1 .00 0.00 c ATOMO 426 NE2 HIS A 32 7 .624 14. .878 2. .655 1 .00 0.00 N ATOMO 427 H HIS A 32 1 .415 15. .152 2. .425 1 .00 0.00 H ATOMO 428 HA HIS A 32 3 .922 15. .578 0. .966 1 .00 0.00 H ATOMO 429 1HB HLS A 32 3. .709 15. .317 3. .568 1 .00 0.00 H ATOMO 430 2HB HIS A 32 3 .616 13, .598 3. .196 1 .00 0.00 H ATOMO 431 HDl HIS A 32 5 .777 12, .411 2. .740 1 .00 0.00 H ATOMO 432 HD2 HIS A 32 6, .198 16. .545 2. ,738 1 .00 0.00 H ATOMO 433 HE1 HIS A 32 8, .252 12. .835 2. ,611 1 .00 0.00 H ATOMO 434 HE2 HIS A 32 8 .487 15. .341 2. ,698 1 .00 0.00 H ATOMO 435 .N THR A 33 4, .213 13. .197 0. ,021 1 .00 0.00 N ATOMO 436 CA THR A 33 4. .174 11. .996 -0. 803 1 .00 0.00 c ATOMO 437 C THR A 33 4. .004 10. .749 0. ,056 1, .00 0.00 c ATOMO 438 0 THR A 33 4. .724 10. .552 1. 035 1, .00 0.00 0 ATOMO 439 CB THR A 33 5. .447 11. .876 -1. 642 1. .00 0.00 c ATOMO 440 OG1 THR A 33 5, .659 13. .051 -2. 404 1. .00 0.00 0 ATOMO 441 CG2 THR A 33 5. .415 10. .704 -2. 600 1, .00 0.00 c ATOMO 442 H THR A 33 5.046 13.710 0.085 1.00 0.00 ATOMO 443 HA THR A 33 3. 326 12. 078 -1. 465 1. 00 0 .00 ATOMO 444 HB THR A 33 6. 291 11. 741 -0. 981 1. 00 0 .00 ATOMO 445 HG1 THR A 33 6. 501 12. 98.8 -2. 861 1. 00 0 .00 ATOMO 446 1HG2 THR A 33 6. 412 10. 506 -2. 962 1. 00 0 .00 ATOMO 447 2HG2 THR A 33 4. 769 10. 939 -3. 433 1. 00 0 .00 ATOMO 448 3HG2 THR A 33 5. 037 9. 831 -2. 088 1. 00 0 .00 ATOMO 449 N VAL A 34 3. 047 9. 911 -0. 322 1. 00 0 .00 ATOMO 450 CA VAL A 34 2. 775 8. 678 0. 403 1. 00 0 .00 ATOMO 451 C VAL.. A 34 2. 564 7. 520 -0. 560 1. 00 0 .00 ATOMO 452 0 VAL A 34 2. 537 7. 707 -1. 774 1. 00 0 .00 ATOMO 453 CB VAL A 34 1. 532 8. 820 1. 303 1. 00 0 .00 ATOMO 454 CG1 VAL A 34 1. 781 9. 840 2. 402 1. 00 0 .00 ATOMO 455 CG2 VAL A 34 0. 315 9. 205 0. 476 1. 00 0 .00 ATOMO 456 H VAL A 34 2. 510 10. 126 -1. 114 1. 00 0 .00 ATOMO 457 HA VAL A 34 3. 626 8. 461 1. 030 1. 00 0 .00 ATOMO 58 HB VAL A 34 1. 337 7. 864 1. 767 1. 00 0 .00 ATOMO 459 1HG1 VAL A 34 2. 813 9. 788 2. 715 1. 00. 0 .00 ATOMO 460 2HG1 VAL A 34 1. 139 9. 625 3. 245 1. 00 0 .00 ATOMO 461 3HG1 VAL A 34 1. 567 10. 831 2. 030 1. 00 0 .00 ATOMO 62 1HG2 VAL A 34 0. 498 10. 149 -0. 017 1. 00 0 .00 ATOMO 463 2HG2 VAL A 34 -0. 545 ?. 299 1. 124 1. 00 0 .00 ATOMO 46 3HG2 VAL A 34 0. 125 8. 442 -0. 264 1. 00 0 .00 ATOMO 465 N TYR A 35 2. 421 6. 322 -0. 012 1. 00 0 .00 ATOMO 466 CA TYR A 35 2. 213 5. 129 -0. 826 1. 00 0 .00 ATOMO 467 G TYR A 35 0. 901 4. 445 -0. 454 1. 00 0 .00 ATOMO 468 O TYR A 35 0. 671 4. 121 0. 710 1. 00 0 .00 ATOMO 469 CB TYR A 35 3. 381 4. 157 -0. 655 1. 00 0 .00 ATOMO 470 CG TYR A 35 4. 739 4. 823 -0. 671 1. 00 0 .00 ATOMO 471 CD1 TYR A 35 5. 113 5. 655 -1. 718 1. 00 0 .00 ATOMO 472 CD2 TYR A 35 5. 647 4. 618 0. 360 1. 00 0 .00 ATOMO 473 CE1 TYR A 35 6. 353 6. 266 -1. 737 1. 00 0 .00 ATOMO 47 CE2 TYR A 35 6. 889 5. 223 0. 349 1. 00 0 .00 ATOMO 475 CZ TYR A 35 7. 237 6. 046 -0. 702 1. 00 0 .00 ATOMO 476 OH TYR A 35 8. 473 6. 651 -0. 717 1. 00 0 .00 ATOMO 477 H TYR A 35 2. 456 6. 237 ó. 963 1. 00 0 .00 ATOMO 478 HA TYR A 35 2. 161 5. 438 -1. 860 1. 00 0 .00 ATOMO 479 1HB TYR A 35 3. 277 3. 642 0. 287 1. 00 0 .00 ATOMO 480 2HB TYR A 35 3. 357 3. 436 -1. 456 1. 00 0 .00 ATOMO 481 HD1 TYR A 35 4. 418 5. 826 -2. 527 1. 00 0 .00 ATOMO 482 HD2 TYR A 35 5. 372 3. 972 1. 182 1. 00 0 .00 ATOMO 483 HE1 TYR A 35 6. 625 6. 909 -2. 560 1. 00 0 .00 ATOMO 484 HE2 TYR A 35 7. 581 5. 052 1. 160 1. 00 0 .00 ATOMO 485 HH TYR A 35 8. 835 6. 618 -1. 605 1. 00 0 .00 ATOMO 486 N TYR A 36 0. 039 4. 236 -1. 446 1. 00 0 .00 ATOMO 487 CA TYR A 36 -1. 254 3. 598 -1. 213 1. 00 0 .00 ATOMO 488 C TYR A 36 -1. 442 2. 373 -2. 104 1. 00 0 .00 ATOMO 489 O TYR A 36 -0. 696 2. 167 -3. 060 1. 00 0 .00 ATOMO 490 CB TYR A 36 -2. 389 4. 596 -1. 457 1. 00 0 .00 ATOMO 491 CG TYR A 36 -2. 813 5. 347 -0. 215 1. 00 0 .00 ATOMO 492 CD1 TYR A 36 -1. 914 6. 152 0. 474 1. 00 0 .00 ATOMO 493 CD2 TYR A 36 -4. 113 5. 254 0. 266 1. 00 0, .00 ATOMO 494 CE1 TYR A 36 -2. 298 6. 840 1. 609 1. 00 0 .00 ATOMO 495 CE2 TYR A 36 -4. 504 5. 941 1. 400 1. 00 0, .00 ATOMO 496 CZ TYR A 36 -3. 593 6. 732 2. 067 1. 00 0, .00 ATOMO 497 OH TYR A 36 -3. 979 7. 418 3. 196 1. 00 0, .00 ATOMO 498 H TYR A 36 0. 274 4. 523 -2. 354 1. 00 0, .00 ATOMO 499 HA TYR A 36 -1.285 3.281 -0..183 1.00 0.00 H ATOMO 500 1HB TYR A 36 -2 .067 5 .321 -2. .189 1 .00 0 .00 H ATOMO 501 2HB TYR A 36 -3 .250 4 .066 -1. .836 1 .00 0 .00 H ATOMO 502 HDl TYR A 36 -0 .900 6 .234 0. ,112 1 .00 0 .00 H ATOMO 503 HD2 TYR A 36 -4 .823 4 .633 -0, .259 1 .00 0 .00 H ATOMO 504 HEl TYR A 36 -1 .584 7 .460 2, .130 1 .00 0 .00 H ATOMO 505 HE2 TYR A 36 -5 .519 5 .855 1. .760 1 .00 0 .00 H ATOMO 506 HH TYR A 36 -3 .440 7 .138 3. .939 1 .00 0 .00 H ATOMO 507 N CYS A 37 -2 .443 1 .565 -1. .774 1 .00 0 .00 N ATOMO 508 CA CYS A 37 -2 .737 0 .352 -2. .537 1 .00 0 .00 C ATOMO 509 C CYS A 37 -3 .901 0 .584 -3. ,494 1 .00 0 .00 c ATOMO 510 O CYS A 37 -4 .933 1 .134 -3. .112 1 .00 0 .00 0 ATOMO 511 CB CYS A 37 -3 .071 -0 .808 -1. .592 1 .00 0 .00 c ATOMO 512 SG CYS A 37 -1 .609 -1 .610 -0. .858 1 .00 0 .00 S ATOMO 513 H CYS A 37 -2 .993 1 .786 -0. .993 1 .00 0 .00 H ATOMO 514 HA CYS A 37 -1 .861 0 .094 -3. ,112 1 .00 0 .00 H ATOMO 515 1HB CYS A 37 -3 .689 -0 .442 -0. .785 1 .00 0 .00 H ATOMO 516 2HB CYS A 37 -3 .617 -1 .561 -2. ,135 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3 .719 0 .167 -4, .743 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 .746 0 .334 -5. ,761 1 .00 0 .00 c ATOMO 519 C ARG A 38 -4 .991 -0 .975 -6. ,502 1 .00 0 .00 c ATOMO 520 0 ARG A 38 -4 .062 -1 .587 -7. ,028 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4 .338 1 .424 -6. ,753 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -4 .164 2 .791 -6. ,113 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5 .506 3 .442 -5. 819 1 .00 0 .00 c ATOMO 524 NE ARG A 38 -5 .466 4 .890 -6. 014 1 .00 0 .00 N ATOMO 525 CZ ARG A 38 -6 .488 5 .707 -5. ,759 1 .00 0 .00 c ATOMO 526 NHl ARG A 38 -7 .639 5 .230 -5. 299 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -6 .358 7 .012 -5. 966 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .872 -0 .259 -4. 986 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .659 0 .631 -5. 267 1 .00 0 .00 H ATOMO 530 1HB ARG A 38 -3 .402 1 .144 -7. 213 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .097 1 .501 -7. 517 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .620 2 .678 -5. 187 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .607 3 .424 -6. 786 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .248 3 .019 -6. 479 1, .00 0, .00 H ATOMO 535 2HD ARG A 38 -5 .775 3 .233 -4. 794 1 .00 0, .00 H ATOMO 536 HE ARG A 38 -4 .631 5 .275 -6. 353 1 .00 0, .00 H ATOMO 537 1HH1 ARG A 38 -7 .747 4 .249 -5. 140 1 .00 0, .00 H ATOMO 538 2HH1 ARG A 38 -8 .398 5 .852 -5. 111 1, .00 0, .00 ' H ATOMO 539 1HH2 ARG A 38 -5 .495 7 .379 -6. 313 1 .00 0. .00 H ATOMO 540 2HH2 ARG A 38 -7 .123 7 .626 -5. 776 1, .00 0, .00 H ATOMO 541 N ALA A 39 -6 .248 -1 .398 -6. 536 1, .00 0. .00 N ATOMO 542 CA ALA A 39 -6. .617 -2 .635 -7. 211 1. .00 0. ,00 c ATOMO 543 C ALA A 39 -6 .407 -2 .522 -8. 716 1, .00 0, ,00 c ATOMO 544 O ALA A 39 -7 .112 -1 .711 -9. 352 1, .00 0. .00 0 ATOMO 545 CB ALA A 39 -8, .064 -2, .992 -6. 903 1, .00 0. .00 c ATOMO 546 OXT ALA A 39 -5. .539 -3, .247 -9. 248 1, .00 0, .00 o ATOMO 547 H ALA A 39 -6, .942 -0, .865 -6. 096 1, .00 0. ,00 H ATOMO 548 HA ALA A . 39 -5, .987 -3, .425 -6. 827 1, ,00 0. .00 H ATOMO 549 1HB ALA A 39 -8, .107 -3, .566 -5. 989 1. .00 0. ,00 H ATOMO 550 2HB ALA A 39 -8, .470 -3, .577 -7. 714 1. ,00 0. .00 H ATOMO 551 3HB ALA A 39 -8. .641 -2. ,0B7 -6. 787 1, ,00 0. ,00 H TER 552 ALA A 39 ENDMDL MODELO 24 ATOMO 1 N GLY A 1 -0. .412 -15. .935 5. 528 1. ,00 0. ,00 N ATOMO 2 CA GLY A 1 -0.034 -14.773 4.676 1.00 0.00 C ATOMO 3 C GLY A 1 -0. 845 -13.533 4.993 1.00 0.00 C ATOMO 4 0 . GLY A 1 -1. 895 -13.615 5.630 1.00 0.00 o ATOMO 5 1H GLY A 1 -0. 195 -15.732 6.525 1.00 0.00 H ATOMO 6 2H GLY A 1 0. 117 -16.780 5.235 1.00 0.00 H ATOMO 7 3H GLY A 1 -1. 430 -16.129 5.437 1.00 0.00 H ATOMO 8 1HA GLY A 1 1. 013 -14.555 4.828 1.00 0.00 H ATOMO 9 2HA GLY A 1 -0. 189 -15.036 3.639 1.00 0.00 H ATOMO 10 N SER A 2 -o . 357 -12.379 4.548 1.00 0.00 N ATOMO 11 CA SER A 2 -1. 042 -11.115 4.789 1.00 0.00 c ATOMO 12 C SER A 2 -0. 793 -10.135 3.648 1.00 0.00 c ATOMO 13 0 SER A 2 0. 175 -10.270 2.899 1.00 0.00 o ATOMO 14 CB SER A 2 -0. 579 -10.504 6.112 1.00 0.00 c ATOMO 15 OG SER A 2 -1. 406 -10.921 7.185 1.00 0.00 0 ATOMO 16 H SER A 2 0. 485 -12.378 4.047 1.00 0.00 H ATOMO 17 HA SER A 2 -2. 101 -11.319 4.848 1.00 0.00 H ATOMO 18 1KB SER A 2 0. ,435 -10.816 6.315 1.00 0.00 H ATOMO 19 2HB SER A 2 -0. 617 -9.427 6.042 1.00 0.00 H ATOMO 20 HG SER A 2 -0. 905 -11.490 7.774 1.00 0.00 H ATOMO 21 N CYS A 3 -1. ,673 -9.146 3.521 1.00 0.00 N ATOMO 22 CA CYS A 3 -1. 548 -8,141 2.474 1.00 0.00 c ATOMO 23 C CYS A 3 -2. 184 -6.827 2.907 1.00 0.00 c ATOMO 24 O CYS A 3 -2. 935 -6.779 3.882 1.00 0.00 o ATOMO 25 CB CYS A 3 -2. 198 -8.634 1.1-77 1.00 0.00 c ATOMO 26 SG CYS A 3 -3. 977 -9.007 1.321 1.00 0.00 s ATOMO 27 H CYS A 3 -2. 422 -9.088 4.149 1.00 0.00 H ATOMO 28 HA CYS A 3 -0. 496 -7.976 2.298 1.00 0.00 H ATOMO 29 1HB CYS A 3 -2. 083 -7.876 0.417 1.00 0.00 H ATOMO 30 2HB CYS A 3 -1. 698 -9.537 0.855 1.00 0.00 H ATOMO 31 N VAL A 4 -1. 883 -5.763 2.173 1.00 0.00 N ATOMO 32 CA VAL A 4 -2. 424 -4.450 2.471 1.00 0.00 c ATOMO 33 C VAL A 4 -3. 766 -4.247 1.761 1.00 0.00 c ATOMO 34 O VAL A 4 -3. 877 -4.504 0.567 1.00 0.00 o ATOMO 35 CB VAL A 4 -1. 436 -3.352 2.033 1.00 0.00 c ATOMO 36 CG1 VAL A 4 -2. 003 -1.964 2.290 1.00 0.00 c ATOMO 37 CG2 VAL A 4 -0. 106 -3.534 2.745 1.00 0.00 c ATOMO 38 H VAL A 4 -1. 282 -5.864 1.408 1.00 0.00 H ATOMO 39 HA VAL A 4 -2. 561 -4,379 3.536 1.00 0.00 H ATOMO 40 HB VAL A 4 -1. 267 -3.457 0.972 1.00 0.00 H ATOMO 41 1HG1 VAL A 4 -1. 217 -1.232 2.196 1.00 0.00 H ATOMO 42 2HG1 VAL A 4 -2. 418 -1.925 3.285 1.00 0.00 H ATOMO 43 3HG1 VAL A 4 -2. 780 -1.756 .1.567 1.00 0.00 H ATOMO 44 1HG2 VAL A 4 0. 162 -4.582 2.742 1.00 0.00 H ATOMO 45 2HG2 VAL A 4 -0. 193 -3.189 3.764 1.00 0.00 H ATOMO 46 3HG2 VAL A 4 0. 657 -2.966 2.235 1.00 0.00 H ATOMO 47 N PRO A 5 -4. 811 -3.777 2.471 1.00 0.00 N ATOMO 48 CA PRO A 5 -6. 121 -3.556 1.858 1.00 0.00 c ATOMO 49 C PRO A 5 -6. 086 -2.428 0.832 1.00 0.00 c ATOMO 50 o PRO A 5 -5. 485 -1.371 1.063 1.00 0.00 o ATOMO 51 CB PRO A 5 -7. 033 -3.182 ¦ 3.038 1.00 0.00 c ATOMO 52 CG PRO A 5 -6. 261 -3.526 4.268 1.00 0.00 c ATOMO 53 CD PRO A 5 -4. 810 -3.419 3.898 1.00 0.00 c ATOMO 54 HA PRO A 5 -6. 490 -4.457 1.384 1.00 .0.00 H ATOMO 55 1HB PRO A 5 -7: 259 -2.128 2.999 1.00 0.00 H ATOMO 56 2HB PRO A 5 -7. 948 -3.752 2.978 1.00 0.00 H ATOMO 57 1HG PRO A 5 -6. 498 -2.827 5.057 1.00 0.00 H ATOMO 58 2HG PRO A 5 -6. 494 -4.534 4.577 1.00 0.00 H ATOMO 59 1HD PRO A 5 -4.454 -2.409 4.043 1.00 0.00 H ATOMO 60 2HD PRO A 5 -4.222 -4 .116 4. 473 1 .00 0. 00 H ATOMO 61 N VAL A 6 -6.746 -2 .643 -0. 303 1 .00 0. 00 N ATOMO 62 CA VAL A 6 -6.792 -1 .641 -1. 350 1 .00 0. 00 c ATOMO 63 C VAL A 6 -7.388 -0 .353 -0. 809 1 .00 0. 00 c ATOMO 64 0 VAL A 6 -8.186 -0 .374 0. 126 1 .00 0. 00 0 ATOMO 65 CB VAL A 6 -7.593 -2 .140 -2. 569 1 .00 0. 00 c ATOMO 66 CGl VAL A 6 -7.702 -1 .063 -3. 638 1 .00 0. 00 c ATOMO 67 CG2 VAL A 6 -6.948 -3 .399 -3. 135 1 .00 0. 00 c ATOMO 68 H VAL A 6 -7.218 -3 .486 -0. 435 1 .00 0. 00 H ATOMO 69 HA VAL A 6 -5.777 -1 .447 -1. 667 1 .00 0. 00 H ATOMO 70 HB VAL A 6 -8.590 -2 .391 -2. 240 1 .00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8.181 -0 .190 -3. 220 1 .00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8.287 -1 .435 -4. 465 1 .00 ó. 00 H ATOMO 73 3HG1 VAL A 6 -6.713 -0 .801 -3. 984 1 .00 0. 00 H ATOMO 74 1HG2 VAL A. 6 -5.959 -3 .520 -2. 712 1 .00 0. 00 H ATOMO 75 2HG2 VAL A 6 -6.868 -3 .315 -4. 209 1 .00 0. 00 H ATOMO 76 3HG2 VAL A 6 -7.551 -4 .256 -2. 883 1 .00 0. 00 H ATOMO 77 N ASP A 7 -6.958 0 .763 -1. 379 1 .00 0. 00 N ATOMO 78 CA ASP A 7 -7.399 2 .074 -0. 945 1 .00 0. 00 c ATOMO 79 C ASP A 7 -6.766 2 .442 0. 399 1 .00 0. 00 c ATOMO 80 0 ASPA 7 -7.095 3 .479 ó. 975 1 .00 0. 00 0 ATOMO 81 CB ASP A 7 -8.925 2 :139 -0. 855 1 .00 0. 00 c ATOMO 82 CG ASP A 7 -9.600 1 .640 -2. 118 1 .00 0. 00 c ATOMO 83 ODl ASP A 7 -9.088 1 .930 -3. 219 1 .00 0. 00 o ATOMO 84 OD2 ASP A 7 -10.641 0 .959 -2. 004 1 .00 0. 00 o ATOMO 85 H ASP A 7 -6.302 0 .706 -2. 090 1 .00 0. 00 H ATOMO 86 HA ASP A 7 ^7.065 2 .788 -1. 684 1 .00 0. 00 H ATOMO 87 1HB ASP A 7 -9.257 1 .534 -0. 027 .1 .00 0. 00 H ATOMO 88 2HB ASP A 7 -9.218 3 .161 -0. 693 1 .00 0. 00 H ATOMO 89 N GLN A 8 -5.842 1 .603 0. 900 1 .00 0. 00 N ATOMO 90 CA GLN A 8 -5.179 1 .883 2. 161 1 .00 0. 00 c ATOMO 91 C GLN A 8 -3.686 2 .102 1. 937 1 .00 0. 00 c ATOMO 92 0 GL A 8 -3.125 1 .623 0. 952 1 .00 0. 00 o ATOMO 93 CB GLN A 8 -5.400 0 .747 3. 158 1 .00 0. 00 c ATOMO 94 CG GL A 8 -6.852 0 .316 3. 276 .1 .00 0. 00 c ATOMO 95 CD GLN A 8 -7.774 1 .465 3. .635 1 .00 0. 00 c ATOMO 96 OEl GLN A 8 -8.490 1 .991 2. 784 1 .00 0. 00 o ATOMO 97 NE2 GLN A 8 -7.760 1 .860 4. 903 1 .00 0. 00 N ATOMO 98 H GLN A 8 -5.593 0 .787 0. 409 1 .00 0. 00 H ATOMO 99 HA GL A 8 -5.606 2 .790 2. 557 1 .00 0. 00 H ATOMO 100 1HB GLN A 8 -4.815 -0 .106 2. 850 1 .00 0. 00 H ATOMO 101 2HB GLN A 8 -5.063 1 .070 4. 133 1 .00 0. 00 H ATOMO 102 1HG GLN A 8 -7.169 -0 .097 2. 330 1 .00 0. 00 H ATOMO 103 2HG GLN A 8 -6.928 -0 .441 .4. 042 1 .00 0. 00 H ATOMO 304 1HE2 GLN A 8 -7.164 1· .396 5. 526 1 .00 0. 00 H ATOMO 105 2HE2 GLN A 8 -8.347 2 .601 5. 163 1 ,00 0. 00 H ATOMO 106 N PRO A 9 -3.015 2 .844 2. 838 1 .00 0. 00 N ATOMO 107 CA PRO A 9 -1.585 3 .124 2. 703. 1 .00 0. 00 c ATOMO 108 C PRO A 9 -0.713 1 .887 2. 848 1 .00 0. 00 c ATOMO 109 0 PRO A 9 -0.966 1 .017 3. 682 1 .00 0. 00 o ATOMO 110 CB PRO A 9 -1.290 4 .113 3. 828 1 .00 0. 00 c ATOMO 111 CG PRO A 9 -2.388 3 .922 4. 819 1 .00 0. 00 c ATOMO 112 CD PRO A 9 -3.593 3 .479 4. 039 1 .00 0. 00 c ATOMO 113 HA PRO A 9 -1.372 3 .592 1. 754 1 .00 0. 00 H ATOMO 114 1HB PRO A 9 -0.325 3 .891 4. 262 1 .00 0. 00 H ATOMO 115 2HB PRO A 9 -1.284 5 .112 3. 428 1 .00 0. 00 H ATOMO 116 1HG PRO A 9 -2.108 3.164 5.535 1.00 0.00 H ATOMO 117 2HG PRO A 9 -2. 594 4. 852 5. 322 1. 00 0. ,00 H ATOMO 118 1HD PRO A 9 -4. ,169 2. 768 4. 611 1. 00 0. 00 H ATOMO 119 2HD PRO A 9 -4. 203 4. 327 3. 769 1. 00 0. •00 H ATOMO 120 N CYS A 10 0. 327 1. 834 2. 029 1. 00 0. 00 N ATOMO 121 CA CYS A 10 1. 274 0. 728 2. 046 1. 00 0. 00 c ATOMO 122 C CYS A 10 2. ,703 1. 252 2. 122 1, 00 0. ,00 c ATOMO 123 0 CYS A 10 2. ,931 2. 460 2. ,197 1. 00 0. ,00 0 ATOMO 124 CB CYS A 10 1. ,106 -0. 142 0. ,800 1. ,00 0. ,00 c ATOMO 125 SG CYS A 10 0, ,932 0. 801 -0. ,751 1. 00 0. ,00 s ATOMO 126 H CYS A 10 0. ,465 2. 570 1. ,399 1. 00 0. ,00 H ATOMO 127 HA CYS A 10 1. ,074 0. 131 2. 923 1. 00 0. 00 H ATOMO 128 1HB CYS A 10 1. .966 -0. 785 0. 697 1. 00 0. .00 H ATOMO 129 2HB CYS A 10 0. .224 -0. 751 0. ,916 1. 00 0. ,00 H ATOMO 130 N SER A 11 3. .661 0. 337 2. ,100 1. ,00 0. ,00 N ATOMO 131 CA SER A 11 5. .072 0. 700 2. 164 1. 00 0. 00 c ATOMO 132 C SER A 11 5. .892 -0. 134 1. 186 1. 00 0. 00 c ATOMO 133 0 SER A 11 5. .468 -1. 210 0. 765 1. 00 0. ,00 o ATOMO 134 CB SER A 11 5. .604 0. 510 3. ,585 ; 1. 00 0. .00 c ATOMO 135 OG SER A 11 4. .555 0. 570 4. 536 1. 00 0. .00 o ATOMO 136 H SER A 11 3. ,413 -0. 607 2. ,038 1. 00 0. ,00 H ATOMO 137 HA SER A 11 5. ,158 1. 740 1. 892 1. 00 0. ,00 H ATOMO 138 1HB SER A 11 6. ,087 -0. 452 3. 661 1. 00 0. ,00 H ATOMO 139 2HB SER A 11 6. 319 1. 289 3. 805 1. 00 0. 00 H ATOMO 140 HG SER A 11 4. 691 1. 324 5. 115 1. 00 0. 00 H ATOMO 141 N LEU A 12 7. 069 0. 370 0. 828 1. 00 0. 00 N ATOMO 142 CA LEO A 12 7. 949 -0. 333 -0. 100 1. 00 0. 00 c ATOMO 143 C LEU A 12 8. 692 -1. 482 0. 586 1. 00 0. 00 c ATOMO 144 0 LEU A 12 9. 224 -2. 367 -0. 082 1. 00 0. 00 0 ATOMO 145 CB LEU A 12 8. 954 0. 633 -0. 740 1. 00 0. 00 c ATOMO 146 CG LEU A 12 9. 583 1. 665 0. 202 1. 00 0. 00 c ATOMO 147 CD1 LEU A 12 10. 195 0. 987 ¦ 1. 419 1. 00 0. 00 c ATOMO 148 CD2 LEU A 12 10. 633 2. 478 -0. 537 1. 00 0. 00 c ATOMO 149 H LEU. A 12 7. 352 1. 231 1. 199 1. 00 0. 00 H ATOMO 150 HA LEU A 12 7. 328 -0. 749 -0. 880 1. 00 0. 00 H ATOMO 151 1HB LEU A 12 9. 748. 0. 049 -1. 179 1. 00 0. 00 H ATOMO 152 2HB LEU A 12 8. 448 1. 168 -1. 531 1. 00 0. 00 H ATOMO 153 HG LEU A 12 8. 819 2. 345 0. 547 1. 00 0. 00 H ATOMO 154 1HD1 LEU A 12 10. 990 1. 60 1. 811 1. 00 0. 00 H ATOMO 155 2HD1 LEU A 12 10. 594 0. 025 1. 133 1. 00 0. 00 H ATOMO 156 3HD1 LEU A 12 9. 437 0. 854 2. 175 1. 00 0. 00 H ATOMO 157 1HD2 LEU A 12 11. 368 1. 813 -0. 963 1. 00 .0. 00 H ATOMO 158 2HD2 LEU A 12 11. 115 3. 153 0. 154 1. 00 0. 00 H ATOMO 159 3HD2 LEU A 12 10. 159 3. 045 -1. 324 1. 00 0. 00 H ATOMO 160 N ASN A 13 8. 726 -1. 470 1. 920 1. 00 0. 00 N ATOMO 161 CA ASN A 13 9. 405 -2. 517 2. 674 1. 00 0. 00 c ATOMO 162 C ASN A 13 8. 416 -3. 406 3. 433 1. 00 0. 00 c ATOMO 163 0 ASN A 13 8. 822 -4. 215 4. 268 1. 00 0. 00 o ATOMO 164 CB ASN A 13 10. 400 -1. 897 3. 655 1. 00 0. 00 c ATOMO 165 CG ASN A 13 9. 731 -0. 968 4. 649 1. 00 0. 00 c ATOMO 166 OD1 ASN A 13 9. 080 0. 005 4. 266 1. 00 0. 00 o ATOMO 167 ND2 ASN A 13 9. 888 -1. 263 5. 934 1. 00 0. 00 N ATOMO 168 H ASN A 13 8. 288 -0. 746 2. 407 1. 00 0. 00 H ATOMO 169 HA ASN A 13 9. 949 -3. 128 1. 970 1. 00 0. 00 H ATOMO 170 1HB ASN A 13 10. 894 -2. 684 4. 205 1. 00 0. 00 H ATOMO 171 2HB ASN A 13 11. 137 -1. 332 3. 103 1. 00 0. 00 H ATOMO 172 1HD2 ASN A 13 10. 420 -2. 053 6. 165 1. 00 0. 00 H ATOMO 173 2HD2 ASN A 13 9.466 -0.679 6.598 1.00 0.00 H ATOMO 174 N THR A 14 7. 121 -3. 260 3. 147 1 .00 0. 00 N ATOMO ?5 CA THR A 14 6. 101 -4. 058 3. 814 1· .00 0. 00 c ATOMO 176 C THR A 14 5. 482 -5. 062 2. 846 1 .00 0. 00 C ATOMO 177 O THR A 14 5. 904 -5. 171 1. 695 1 .00 0. 00 0 ATOMO 178 CB THR A 14 5. 014 -3. 151 4. 393 1 .00 0. 00 C ATOMO 179 OG1 THR A 14 4. 409 -2. 378 3. 372 1 .00 0. 00 0 ATOMO 180 CG2 THR A 14 5. 532 -2. 194 5. 446 1 .00 0. 00 C ATOMO 181 H THR A 14 6. 845 -2. 607 2. 476 1 .00 0. 00 H ATOMO 182 HA THR A 14 6. 575 -4. 599 4. 620 1 .00 0. 00 H ATOMO 183 HB THR A 14 4. 252 -3.. 764 4. 852 1 .00 0. 00 H ATOMO 184 HG1 THR A 14 3. 668 -2. 662 3. 001 1 .00 0. 00 H ATOMO 185 1HG2 THR A 14 4. 816 -1; 399 5. 593 1 .00 0. 00 H ATOMO 186 2HG2 THR A 14 6. 473 -1. 775 5. 120 1 .00 0. 00 H ATOMO 187 3HG2 THR A 14 5. 677 -2. 725 6. 375 1 .00 0. 00 H ATOMO 188 N GLN A 15 4. 481 -5. 792 3. 323 . 1 .00 0. 00 N ATOMO 189 CA GLN A 15 3. 803 -6. 788 2. 506 .1 .00 0. 00 c ATOMO 190 C GLN A 15 3. 068 -6. 131 1. 337 1 .00 0. 00 c ATOMO 191 O GLN A 15 2. 715 -4. 954 1. 404 1 T00 0. 00 o ATOMO 192 CB GLN A 15 2. 815 -7. 579 3. 363 1 .00 0. 00 c ATOMO 193 CG GLN A 15 3. 470 -8. 335 4. 508 1 .00 0. 00 c ATOMO 194 CD GLN A 15 4. 234 -9. 557 4. 037 1 .00 0. 00 c ATOMO 195 OE1 GLN A 15 3. 652 -10. 496 3. 494 1 .00 0. 00 0 ATOMO 196 NE2 GLN A 15 5. 545 -9. 551 4. 242 1 .00 0. 00 N ATOMO 197 H GLN A 15 4. 193 -5. 660 4. 248 1 .00 0. 00 H ATOMO 198 HA GLN A 15 4. 549 -7. 463 2. 116 1 .00 0. 00 H ATOMO 199 1HB GLN A 15 2. 089 -6. 897 3. 779 1 .00 0. 00 H ATOMO 200 2HB GLN A 15 2. 304 -8. 292 2. 736 1 .00 0. 00 H ATOMO 201 1HG GLN A 15 4. 156 -7. 672 5. 013 1 .00 0. 00 H ATOMO 202 2HG GLN A 15 2. 702 -8. 652 5. 199 1 .00 0. 00 H ATOMO 203 1HE2 GLN A 15 5. 941 -8. 767 4. 681 1 .00 0. 00 H ATOMO 204 2HE2 GLN A 15 6. 064 -10. 327 3. 947 1 .00 0. 00 H ATOMO 205 N PRO A 16 2. 821 -6: 883 0. 243 1 .00 0. 00 N ATOMO 206 CA PRO A 16 2. 120 -6. 350 -0. 931 1. .00 0. 00 c ATOMO 207 C PRO A 16 0. 672 -5. 993 -0. 618 1 .00 0. 00 c ATOMO 208 O PRO A 16 0. 226 -6. 112 0. 524 1 .00 0. 00 o ATOMO 209 CB PRO A 16 2. 181 -7. 498 -1. 944 1 .00 0. 00 c ATOMO 210 CG PRO A 16 2. 375 -8. 724 -1. 122 1 .00 0. 00 c ATOMO 211 CD PRO A 16 3. 195 -8. 300 0. 062 1 .00 0. 00 c ATOMO 212 HA PRO A 16 2. 624 -5. 483 -1. 332 1 .00 0. 00 H ATOMO 213 1HB PRO A 16 1. 257 -7. 537 -2. 502 1 .00 0. 00 H ATOMO 214 2HB PRO A 16 3. 009 -7. 342 -2. 619 1 .00 0. 00 H ATOMO 215 1HG PRO A 16 1. 416 -9. 104 -0. 797 1 .00 0. 00 H ATOMO 216 2HG PRO A 16 2. 901 -9. 472 -1. 695 1 .00 0. 00 H ATOMO 217 1HD PRO A 16 2. 933 -8. 883 0. 932 1 .00 0. 00 H ATOMO 218 2HD PRO A 16 4. 250 -8. 396 -0. 154 1 .00 0. 00 H ATOMO 219 N CYS A 17 -0. 059 -5. 553 -1. 635 1 .00 0. 00 N ATOMO 220 CA CYS A 17 -1. 457 -5. 179 -1. 461 1 .00 0. 00 c ATOMO 221 C CYS A 17 -2. 372 -6. 386 -1. 624 1 .00 0. 00 c ATOMO 222 0 CYS A 17 -1. 918 -7. 497 -1. 902 1 .00 0. 00 o ATOMO 223 CB CYS. A 17 -1. 847 -4. 086 -2. 458 1 .00 0. 00 c ATOMO 224 SG CYS A 17 -0. 812 -2. 590 -2. 369 1 .00 0. 00 s ATOMO 225 H CYS A 17 0. 350 -5. 477 -2. 522 1 .00 0. 00 H ATOMO 226 HA CYS A 17 -1. 574 -4. 794 -0. 461 1 .00 0. 00 H ATOMO 227 1HB CYS A 17 -1. 772 -4. 479 -3. 461 1 .00 0. 00 H ATOMO 228 2HB CYS A 17 -2. 869 -3. 790 -2. 268 1 .00 0. 00 H ATOMO 229 N CYS A 18 -3. 664 -6. 155 -1. 440 1 .00 0. 00 N ATOMO 230 CA CYS A 18 -4.664 -7.207 -1.553 1.00 0.00 C ATOMO 231 C CYS A 18 -5. 414 -7.097 -2. 875 1 .00 0 .00 C ATOMO 232 0 CYS A 18 -5. 340 -6.078 -3. 561 1 .00 0 .00 o ATOMO 233 CB CYS A 18 -5. 650 -7.122 -0. 386 1 .00 0 .00 c ATOMO 234 SG CYS A 18 -4. 868 -7.183 1. 260 1 .00 0 .00 S ATOMO 235 H CYS A 18 -3. 952 -5.247 -1. 215 1 .00 0 .00 H ATOMO 236 HA CYS A 18 -4. 154 -8.158 -1. 518 1 .00 0 .00 H ATOMO 237 1HB CYS A 18 -6. 194 -6.192 -0. 453 1 .00 0 .00 H ATOMO 238 2HB CYS A 18 -6. 347 -7.943 . -o . 449 1 .00 0 .00 H ATOMO 239 ' N ASP A 19 -6. 136 -B.155 -3. 231 1 .00 0 .00 N ATOMO 240 CA ASP A 19 -6. 902 -8.179 -4. 477 i .00 0 .00 c ATOMO 241 C ASP A 19 -6. 007 -7.877 -5. 677 1 .00 0 .00 c ATOMO 242 O ASP A 19 -6. 456 -7.307 -6. 672 1 .00 0 .00 0 ATOMO 243 CB ASP A 19 -8. 048 -7.169 -4. 415 1 .00 0 .00 c ATOMO 244 CG ASP A 19 -9. 176 -7.628 -3. 513 1 .00 0 .00 c ATOMO 245 ODl ASP A 19 -9. 397 -6.986 -2. 465 1 .00 0 .00 o ATOMO 246 OD2 ASP A 19 -9. 839 -8.630 -3. 855 1 .00 0 .00 o ATOMO 247 H AS A 19 -6, 154 -8.936 -2. 643 1 .00 0 .00 H ATOMO 248 HA ASP A 19 -7. 314 -9.170 -4. 591 1 .00 0 .00 H ATOMO 249 1HB ASP A ' 19 -7. 672 -6.229 -4. 038 1 .00 0 .00 H ATOMO 250 2HB ASP A 19 -8. 443 -7.021 -5. 409 1 .00 0 .00 H ATOMO 251 •N ASP A 20 -4. 738 -8.261 -5, 572 1 .00 0 .00 N ATOMO 252 CA ASP A 20 -3. 773 -8.032 -6. 642 1 .00 d .00 c ATOMO 253 C ASP A 20 -3. 546 -6.540 -6. 864 1 .00 0 .00 c ATOMO 254 0 ASP A 20 -3. 366 -6.090 -7. 995 1 .00 0 .00 o ATOMO 255 CB ASP A 20 -4. 243 -8.690 -7. 942 1 .00 0 .00 c ATOMO 256 CG ASP A 20 -3. 115 -8.870 -8. 940 1 .00 0 .00 c ATOMO 257 ODl ASP A 20 -3. 240 -9.741 -9. 827 1 .00 0 .0.0 o ATOMO 258 0D2 ASP A 20 -2. 107 -8.140 -8. 835 1 .00 0 .00 0 ATOMO 259 H ASP A 20 -4. 441 -8.708 -4. 752 1 .00 0 .00 H ATOMO 260 HA AS A 20 -2. 838 -8.480 -6. 341 1 .00 0 .00 H ATOMO 261 1HB ASP A 20 -4. 658 -9.661 -7. 718 1 .00 0 .00 H ATOMO 262 2HB ASP A 20 -5. 005 -8.073 -8. 396 1 .00 0 .00 H ATOMO 263 N ALA A 21 -3. 552 -5.778 -5. 775 1 .00 0 .00 N ATOMO 264 CA ALA A 21 -3. 341 -4.337 -5. 852 1 .00 0 .00 c ATOMO 265 C ALA A 21 -1. 859 -4.012 -5. 994 1 .00 0 .00 c ATOMO 266 0 ALA A 21 -i; 011 - .904 -5. 967 .1 .00 0 .00 0 ATOMO 267 CB ALA A 21 -3. 916 -3.645 -4. 623 1 .00 0 .00 c ATOMO 268 H ALA A 21 -3. 698 -6.196 -4. 900 1 .00 0 .00 H ATOMO 269 HA ALA A 21 -3. 865 -3.968 -6. 723 1 .00 0 .00 H ATOMO 270 1HB ALA A 21 -3. 968 -4.347 -3. 807 1 .00 0 .00 H ATOMO 271 2HB ALA A 21 -4. 907 -3.278 -4. 846 1 .00 0 .00 H ATOMO 272 3HB ALA A 21 -3. 281 -2,814 -4. 34 1 .00 0 .00 H ATOMO 273 N THR A 22 -1. 555 -2.729 -6. 143 1 .00 0 .00 N ATOMO 274 CA THR A 22 -o . 179 -2.282 -6. 285 1 .00 0 .00 c ATOMO 275 C THR A 22 0. 071 ' -1.034 -5. 448 1 .00 0 .00 c ATOMO 276 0 THR A 22 -0. 773 -0.139 -5. 380 1 .00 0 .00 0 ATOMO 277 CB THR A 22 0. 133 -1.997 -7. 754 1 .00. 0 .00 c ATOMO 278 OG1 THR A 22 -0. 103 -3.145 -8. 549 1 .00 0 .00 0 ATOMO 279 CG2 THR A 22 1. 562 -1.562 -7. 988 1 .00 0 .00 c ATOMO 280 H THR A 22 -2. 274 -2.066 -6. 156 1 .00 0 .00 H ATOMO 281 HA THR A 22 0. 466 -3.074 -5. 935 1 .00 0 .00 H ATOMO 282 HB THR A 22 -0. 515 -1.206 -8. 101 1 .00 0 .00 H ATOMO 283 HG1 THR A 22 -0. 892 -3.012 -9. 078 1 .00 0 .00 H ATOMO 284 1HG2 THR A 22 1. 587 -0.499 -8. 172 1 .00 0 .00 H ATOMO 285 2HG2 THR A 22 1. 961 -2.086 -8. 843 1 ..00 0 .00 H ATOMO 286 3HG2 THR A 22 2. 154 -1.791 -7. 115 1 .00 0 .00 H ATOMO 287 N CYS A 23 1.237 -0.978 -4.813 1.00 0.00 N ATOMO 288 CA CYS A 23 1. 600 0 .164 -3. 985 1 .00 0. 00 C ATOMO 289 C CYS. A 23 2. 081 1 .310 -4. 870 1 .00 0. 00 c ATOMO 290 0 CYS A 23 3. 122 1 .208 -5. 521 1 .00 0. 00 0 ATOMO 291 CB CYS A 23 2. 691 -0 .240 -2. 989 1 .00 0. 00 c ATOMO 292 5G CYS A 23 2. 809 0 .838 -1. 526 1 .00 0. 00 s ATOMO 293 H CYS A 23 1. 869 -1 .721 -4. 909 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0. 722 0 .481 -3. 444 1 .00 0. 00 H ATOMO 295 1HB CYS A 23 2. 495 -1 .243 -2. 641 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3. 648 -0 .221 -3; 490 1 .00 0. 00 H ATOMO 297 N THR A 24 1. 305 2 .391 -4. 916 1 .00 0. 00 N ÁTOMO 298 CA THR A 24 1. 641 3 .538 -5. 747 1 .00 0. 00 c ATOMO 299 C THR A 24 1. 815 4 .808 -4. 917 1 .00 0. 00 c ATOMO 3.00 0 THR A 24 1. 265 4 .942 -3. 824 1 .00 0.00 0 ATOMO 301 CB THR A 24 0. 550 3 .748 -6. 808 1 .00 0. 00 c ATOMO 302 0G1 THR A 24 0. 556 2 .687 -7. 746 .1 .00 0. 00 0 ATOMO . 303 CG2 THR A 24 0. 689 5 .044 -7. 586 1 .00 0. 00 c ATOMO 304 H THR A 24 0. 479 2 .410 -4. 395 1 .00 0. 00 H ATOMO 305 HA THR A 24 2. 573 3 .323 -6. 248- 1 .00 0. 00 H ATOMO 306 HB THR A 24 -0. 413 3 .760 -6. 319 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 1. 378 2 .701 -8. 240 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0. 517 .5 .880 -6. 922 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0. 035 5 .064 -8. 386 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1. 686 5 .112 -7. 997 1 .00 0. 00 H ATOMO 311 N GLN A 25 2. 574 5 .741 -5. 479 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2. 829 7 .022 -4. 849 1 .00 0. 00 c ATOMO 313 C GLN A 25 1. 591 7 .910. -4. 950 1 .00 0. 00 c ATOMO 314 O GLN A 25 0. 914 7 .937 -5. 978 1 .00 0. 00 o ATOMO 315 CB GL A 25 4. 027 7 .697 -5. 523 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4. 286 9 .110 -5. 035 1 .00 0. 00. c ATOMO 317 CD GLN A 25 .5. 676 9 .604 -5. 379 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6. 671 9 .118 -4. 841 1 .00 0.. 00 0 ATOMO 319 NE2 GLN A 25 5. 752 10 .578 -6. 279 1 .00 0. 00 N ATOMO 320 H GLN A 25 2. 961 5 .567 -6. 357 1 .00 0. 00 H ATOMO 321 HA GLN A 25 3. 057 6 .852 -3. 808 1 .00 0. 00 H ATOMO 322 1HB GLN A 25 4. 911 7 .107 -5. 333 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3. 852 7 .734 -6. 588 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3. 560 9 .767 -5. 491 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4. 163 9 .129 -3. 964 1 .00 o .' 00 H ATOMO 326 1HE2 GLN A 25 4. 918 10 .917 -6. 665 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6. 640 10 .917 -6. 520 1 .00 0. 00 H ATOMO 328 N GLU A 26 1. 306. 8 .631 -3. 876 1 : oo 0. 00 N ATOMO 329 CA GLU A 26 0. 152 9 .520 -3. 833 1 .00 0. 00 c ATOMO 330 C GLU A 26 0. 346 10 .614 -2. .790 1 .00 0. 00 c ATOMO 331 O GLU A 26 1. 400 10 .709 -2. 162. 1 .00 0. 00 o ATOMO 332 CB GLU A 26 -1. 116 8 .724 -3. 527 1 .00 0. 00 c ATOMO 333 CG GLU A 26 -1. 408 7 .638 -4. 547 1 .00 0. 00 c ATOMO 334 CD GLU A 26 -2. 798 7 .054 -4.. 399 i-.00 0. 00 c ATOMO 335 OE1 GLU A 26 -3. 264 6 .915 -3. 248 1 .00 0. 00 0 ATOMO 336 OE2 GLU A 26 -3. 421 6 .738 -5. 433 1 .00 0. 00 o ATOMO 337 H GLU A 26 1. 886 8 .560 -3. 092 1 .00 0. 00 H ATOMO 338 HA GLU A 26 0. 050 9 .979 -4. 804 1 .00 0. 00 H ATOMO 339 1HB GLU A 26 -1. 011 8 .262 -2. 557 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -1. 956 9 .399 -3. 503 1 .00 0. 00 H ATOMO 341 1HG GLU A 26 -1. 315 8 .060 -5. 537 1 .00 0. 00 H ATOMO 342 2HG GLU A 26 -0. 684 6 .847 - . 426 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0. 680 11 .437 -2. 614 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0.632 12.528 -1.649 1.00 0.00 C ATOMO 345 C ARG A 27 -1. 671 12. 328 -o . 550 1. 00 0. 00 c ATOMO 346 0 ARG A 27 -2. 781 11. 863 -0. 810 1. 00 0. 00 0 ATOMO 347 CB ARG A 27 -0. 869 13. 866 -2: 352 1. 00 0. 00 c ATOMO 348 CG ARG A 27 0. 337 14. 364 -3. 132 1. 00 0. 00 c ATOMO 349 CD ARG A 27 0. 354 15. 882 -3. 225 1. 00 0. 00 c ATOMO 350 NE ARG A 27 0. 858 16. 346 -4. 517 1. 00 0. 00 N ATOMO 351 CZ ARG A 27 2. 139 16. 294 -4. 882 1. 00 0. 00 c ATOMO 352 NHl ARG' A 27 3, 059- 15. 800 -4. 059 1. 00 0. 00 N ATOMO 353 NH2 ARG A 27 2. 503 16. 738 -6. 077 1. 00 0. 00 N ATOMO 354 H ARG A 27 -1. 491 11. 306 -3. 147 1. óo 0. 00 H ATOMO 355 HA ARG A 27 0. 351 12. 535 -1. 201 1. 00 0. 00 H ATOMO 356 1HB ARG A 27. -.1. 694 13. 756 -3. 040 1. 00 0. 00 H ATOMO 357 2HB ARG. A 27 -1. 124 14. 608 -1. 612 1. 00 0. 00 H ATOMO 358 1HG ARG A 27 1. 237 14. 035 -2. 634 1. 00 o.. 00 H ATOMO 359 2HG ARG A 27 0. 305 13. 951 -4. 129 1. 00 0. 00 H ATOMO 360 1HD ARG A 27 -0. 654 16. 248 -3. 090 1. 00 0. 00 H ATOMO 361 2HD ARG A 27 0. 986 16. 271 -2. 441 1. 00 0. 00 H ATOMO 362 HE ARG A 27 0. 206 16. 718 -5. 147 1. 00 0. 00 H ATOMO 363 ÍHHl ARG A 27 2. •795 15. 463 -3. 156 1. 00 0. 00 H ATOMO 364 2HH1 ARG A 27 4. 016 15. 766 -4. 345 1. 00 0. 00 H ATOMO 365 1HH2 ARG A 27 1. 817 17. 111 -6. 702 1. 00 0. 00 H ATOMO 366 2HH2 ARG A 27 3. 463 16. 700 -6. 354 1: 00. 0. 00 H ATOMO 367 N ASN A 28 -1. 305 12. 6.80 0. 679 1. 00 0. 00 N ATOMO 368 CA ASN A 28 -2. 208 12. 536 1. 815 1. 00 0. 00 c ATOMO 369 C ASN A 28 -2. 888 13. 862 2. 141 1. 00 0. 00 c ATOMO 370 0 ASN A 28 -2. 695 14. 858 1. 445 1. 00 0. 00 o ATOMO 371 CB ASN A 28 -1. 445 12. 024 3. 039 1. 00 0. 00 c ATOMO 372 CG ASN A 28 -0. 369 12. 989 3. 498 1. 00 0. 00 c ATOMO 373 ODl ASN A. 28 -0. 091 13. 987 2. 835 1. 00 0. 00 0 ATOMO 374 ND2 ASN A 28 0. 245 12. 693 4. 637 1. 00 0. oó N ATOMO 375 H ASN A 28 -0. 406 13. 045 0. 825 1. 00 0. .00 H ATOMO 376 HA ASN A 28 -2. 965 11. 814 1. 546 1. 00 0. óo H ATOMO 377 1HB ASN A 28 -2. 140 11. 877 3. 853 1. 00 0. o.o H ATOMO 378 2HB ASN A 28 -0. 978 11. 082 2. 796 1. 00 0. 00 H ATOMO 379 1HD2 ASN A 28 -0. 027 11. 880 5. 112 1. 00 0. 00 H ATOMO 380 2HD2 ASN A 28 0. 946 13. 299 4. 957 1. 00 0. 00 H ATOMO 381 N GLÜ A 29 -3. .683 13. 865 3. 206 1. 00 0. 00 N ATOMO 382 CA GLU A 29 -4. 389 15. 068 3. 627 1. 00 0. 00 c ATOMO 383 C GLU A 29 -3. 405 16. 182 3. 970 1. 00 0. 00 c ATOMO 384 0 GLU A 29 -3. 707 17. 364 3. 802 1. 00 0. 00 0 ATOMO 385 CB GLU A 29 -5. 279 14. 766 4. 835 1. 00 0. 00 c ATOMO 386 CG GLU A 29 -6. 649 14. 222 4. 460 1. 00 0. 00 c ATOMO .387 CD GLU A 29 -7. 727 14. 628 5. 446 1. 00 0. 00 c ATOMO 388 OEl GLU A 29 -8. 879 14. 841 . 5. 011 1. 00 0. 00 0 ATOMO 389 0E2 GLU A 29 -7. 4.21 14. 731 6. 652 1 . 00 0. 00 o ATOMO 390 H GLU A 29 -3. 795 13. 039 3. 722 1. 00 0. 00 H ATOMO 391 HA GLU A 29 -5. 010 15. 393 2. 806 1. 00 0. 00 H ATOMO 392 1HB GLU A 29 -4. 784 14. 037 5. 458 1. 00 0. oó H ATOMO 393 2HB GLU A 29 -5. 419 15. 676 5'. 400 1. 00 0. 00 H ATOMO 394 1HG GLU A 29 -6. 916 14. 597 3. 484 1. 00 0. 00 H ATOMO 395 2HG GLU A 29 -6. 596 13. 144 4. 429 1. 00 0. 00 H ATOMO 396 N ASN A 30 -2. 227 15. 798 4. 451 1. 00 0. 00 N ATOMO 397 CA ASN A 30 -1. 199 16. 765 4. 817 1. 00 0. 00 c ATOMO 398 C ASN A 30 -0. 514 17. 331 3. 577 1. 00 0. 00 c ATOMO 399 O ASN A 30 -0. 044 18. 469 3. 581 1. 00 0. 00 o ATOMO 400 CB ASN A 30 -0. 161 16. 112 5. 734 1. 00 0. 00 c ATOMO 401 CG ASN A 30 -0.656 15.971 7.159 1.00 0,.00 C ATOMO 402 OD1 ASN A 30 -1 .164 14 .921 7 .551 1 .00 0, .00 0 ATOMO 403 ND2 ASN A 30 -0 ;511 17 .033 7 .944 1 .00 0, .00 N ATOMO 404 H ASN A 30 -2 .045 1 .841 4 .563 1 .00 0. .00 H ATOMO 405 HA ASN A 30 -1 .678 17 .572 5, .349 1 .00 0, .00 H ATOMO 406 1HB ASN A 30 0 .075 15 .129 5, .356 1 .00 0, .00 H ATOMO 407 2HB ASN A 30 0 .734 16 .716 5, .740 1.00 0, .00 H ATOMO 408 1HD2 ASN A 30 -0 .097 17 .836 7, .563 1 .00 0, .00 H ATOMO 409 2HD2 ASN A 30 -0 .822 16 .969 8, .871 1 .00 0, .00 H ATOMO 410 N GLY A 31 -0 .460 16 .532 2 .514 1 .00 0, .00 N ATOMO 411 CA GLY A 31 0 .169 16 .976 1 .283 1 .00 0, .00 C ATOMO 412 C GLY A 31 I .514 16 .314 1, .018 1 .00 0, .00 c ATOMO 413 0 GLY A 31 2 .132 16 .560 -0, .018 1 .00 0, .00 0 ATOMO 414 H GLY A' 31 -0 .851 15 .634 2.566 1 .00 0, .00 H ATOMO 415 1HA GLY A 31 -0 .492 16 .756 . 0, .457 1 .00 0, .00 H ATOMO 416 2HA GLY A 31 0 .314 18 .046 1, .333 1 .00 0, .00 H ATOMO 417 N HIS A 32 1 .973 15 .473 1, .945 1 .00 0. .00 N ATOMO 418 CA HIS A 32 3 .250 14 .788 1. .783 1 .00 0, ,00 c ATOMO 419 C HIS A 32 3 .085 13 .537 0, .922 1 .00 0, ,00 c ATOMO 420 O HIS A 32 2 .019 12 .920 0, .906 1 .00 0, ,00 0 ATOMO 421 CB HIS A 32 3 .830 14 .421 3, .153 1 .00 0. .00 c ATOMO 422 CG HIS A 32 5 .090 15 .160 3. .484 1 .00 0. .00 c ATOMO 423 ND1 HIS A 32 5 .216 16 .528 3. .357 1 .00 0, .00 N ATOMO 424 CD2 HIS A 32 6 .285 14 .716 3, ,940 1 .00 0. ,00 c ATOMO 425 CE1 HIS A 32 6 .434 16 .892 3. .720 1 .00 0. .00 c ATOMO 426 NE2 HIS A 32 7 .101 15 .811 4. ,078 1 .00 .0. ,00 N ATOMO 427 H HIS A 32 1 .445 15 .307 2. .751 1 .00 0. ,00 H ATOMO 428 HA HIS A 32 3 .927 15 .465 1, .284 1 .00 0. ,00 H ATOMO 429 1HB HIS A 32 3 ;103 14 .651 3. .917 1 .00 0. .00 H ATOMO 430 2HB HIS A 32 4 .049 13 .364 3. .180 1 .00 0. ,00 H ATOMO 431 HD1 HIS A 32 4 .517 17 .141 3. .047 1 .00 0. ,00 H ATOMO 432 HD2 HIS A 32 6 .548 13 .689 4. .155 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 6 .817 17. .902 3. ,723 1 .00 0. 00 H ATOMO 434 HE2 HIS A 32 7 .998 15 .806 4. ,474 1 .00 0. 00 H ATOMO 435 N THR A 33 .143 13, .169 0. 207 1, .00 0. 00 N ATOMO 436 CA THR A 33 4 .105 11, .993 -0. 654 1, .00 0. 00 c ATOMO 437 C THR A 33 4: .003 10. .715 0. 169 1. .00 0. 00 c ATOMO 438 O THR A 33 4, .798 10. .482 1. 079 1. .00 0. 00 0 ATOMO 439 CB THR A 33 5, .347 11, .938 -1. 545 1, .00 0. 00 c ATOMO 440 OG1 THR A 33 5, .471 13, .125 -2. 308. 1, .00 0. 00 0 ATOMO 441 CG2 THR A 33 5, .337 10. ,770 -2. 511 1. .00 o: 00 c ATOMO 442 H THR A 33 4, .964 13. .700 0. 257 1.. .00 0. 00 H ATOMO 443 HA THR A 33 3, .229 12. .071 -1. 281 1. .00 0. 00 H ATOMO 444 HB THR A 33 6. .223 11. .843 -0. 920 1. .00 0. 00 H ATOMO 445 HG1 TH A 33 4. .719 13. ,207 -2. 899 1. .00 0. 00 H ATOMO 446 1HG2 THR A 33 6. .322 10. ,330 -2. 556 1. ,00 0. 00 H ATOMO 447 2HG2 THR A 33 .5. .053 11. ,117 -3. 494 1. ,00 0. 00 H ATOMO 448 3HG2 THR A 33 4. .626 10. 029 -2. 173 1. .00 0. 00 H ATOMO 449 N VAL A 34 3. .020 9. 889 -0. 164 1. .00 0. 00 N ATOMO 450 CA VAL A 34 2. .805 8. 629 0. 531 1. .00 0. 00 c ATOMO 451 C VAL A 34 2. ,562 7. 502 -0. 462 1. ,00 0. 00 c ATOMO 452 O VAL A 34 2. ,431 7. 740 -1. 660 1. ,00 0. 00 0 ATOMO 453 CB VAL A 34 1. ,609 8. 715 1. 497 1. 00 0. 00 c ATOMO 454 CG1 VAL A 34 1. .906 9. 682 2. 633 1. 00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 349 9. 127 0. 751 1. 00 0. 00 c ATOMO 456 H VAL A 34 2. ,423 10. 133 -0. 902 1. 00 0. 00 H ATOMO 457 HA VAL A 34 3. 692 8. 40 1. 106 1. 00 0. 00 H ATOMO 458 HB VAL A 34 1.445 7.735 1.923 1.00 0.00 H ATOMO 459 1HG1 VAL A 34 2. 111 10. 661 2 .226 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 2. 765 9. 334 3 .187 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. 051 9. 737 3 .291 1 .00 0, 00 H ATOMO 462 1HG2 VAL A 34 0. 491 10. 106 0 .320 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -o. 484 9. 154 1 .438 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. 145 8. 413 -0 .033 1 .00 0. 00 H ATOMO 465 N TYR A 35 2. 504 6. 277 0 .038 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2. 272 5. 115 -0 .8.14 1 .00 0. 00 c ATOMO. 467 C TYR A 35 0. 947 4. 452 -0 .458 1 .00 0. 00 c ATOMO 468 0 TYR A 35 0. 702 4. 120 0 .700 1 .00 0. 00 0 ATOMO 469 CB TYR A 35 3. 419 4. 110 -0 .675 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4. 790 4. 746 -0 .624 1 .00 0. 00 c ATOMO 471 CD1 TYR A 35 5. 189 5. 661 -1 .590 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5. 686 4. 430 0 .390 1 .00 0. 00 c ATOMO 473 CE1 TYR A 35 6. 442 6. 243 -1 .547 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6. 940 5. 008 0 .440 1 .00 0. 00 c ATOMO 475 CZ TYR A 35 7. 314 . 5. 914 -0 .530 1 .00 0. 00 c ATOMO 476 OH TYR A 35 8. 561 6. 492 -0 .483 1 .00 0. 00 o ATOMO 477 H TYR A 35 2. 616 6. 150 1 .003 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2. 226 5. 457 -1 .837 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3. 284 3. 542 0 .233 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3. 398 3. 438 -1 .520 1 .00 0. 00 H ATOMO 481 HD1 TYR A 35 4. 505 5. 916 -2 .386 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 5. 391 3. 721 1 .149 1 .00 0. 00 H ATOMO 483 HE1 TYR A 35 6. 734 6. 953 -2 .308 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7. 622 4. 750 1 .238 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8. 959 6. 466 -1 .357 1 .00 0. 00 H ATOMO 486 N TYR A 36 0. 087 4. 271 -1 .458 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1. 219 3. 655 -1 .236 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1. 414 2. 426 -2 .118 1 .00 0. 00 c ATOMO 489 O TYR A 36 -0. 666 2. 200 -3 .069 1 .00 0. 00 o ATOMO 490 CB TYR A 36 -2. 332 4. 672 -1 .500 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2. 807 5. 385 -0 .254 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -2. 012 6. 338 0 .368 1 .00 0. 00 c ATOMO 493 CD2 TYR A 36 -4. 049 5. 104 0 .300 1 .00 0. 00 c ATOMO 494 CEL TYR A 36 -2. 441 6. 992 1 .508 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4. 486 5. 753 1 .438 1 .00 0. 00 c ATOMO 496 CZ TYR A 36 -3. 679 6. 696 2 .038 1 .00 0. 00 c ATOMO 497 OH TYR A 36 -4. 110 7. 344 3 .173 1 .00 0. 00 o ATOMO 498 H TYR A 36 0. 332 4. 564 -2 .361 1 .00 0. 00 H ATOMO 499 HA TYR A 36 -1. 268 3. 347 -0 .204 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -1. 973 5. 417 -2 .192 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3. .181 4. 163 -1 .935 1 .00 0. 00 H ATOMO 502 HD1 TYR A 36 -1. 042 6. 569 -0 .049 1 .00 0. 00 H ATOMO 503 HD2 TYR A 36 -4. 680 4. 364 -0 .173 1 .00 0. 00 H ATOMO 504 HE1 TYR A 36 -1. 808 7. 730 1 .978 1 .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5. 456 5. 521 1 .854 1 .00 0. 00 H ATOMO 506 HH TYR A 36 -5. 014 7. 640 3 .048 1 .00 0. 00 H ATOMO 507 N CYS A 37 -2. 428 1. 632 -1 .784 1 .00 0. 00 N ATOMO 508 CA CYS A 37 -2. 735 0. 413 -2 .533 1 .00 0. 00 c ATOMO 509 C CYS A 37 -3. 897 0. 639 -3 .493 1 .00 0. 00 c ATOMO 510 0 CYS A 37 -4. 935 1. 183 -3 .115 1 .00 0. 00 0 ATOMO 511 CB CYS A 37 -3. 077 -0. 729 -1 .571 1, .00 0. 00 c ATOMO 512 SG CYS A 37 -1. 618 -1. 531 -0 .834 1 .00 0. 00 s ATOMO 513 H CYS A 37 -2. 977 1. 869 -1, .007 1. .00 0. 00 H ATOMO 514 HA CYS A 37 -1. 860 0. 140 -3 .103 1, .00 0. 00 H ATOMO 515 1HB CYS A 37 -3.688 -0.345 -0..766 1.00 0.00 H ATOMO 516 2HB CYS A 37 -3 .632 -1 .484 -2. .101 1 .00 0 .00 H ATOMO 517 N ARG A 38 -3 .710 0 .217 -4·. .740 1 .00 0 .00 N ATOMO 518 CA ARG A 38 -4 ;734 0 .371 -5. .764 1 .00 0 .00 C ATOMO 519 C ARG A 38 -5 .017 -0 .960 -6. ,451 1 .00 0.00 C ATOMO 520 O ARG A 38 -4 .111 -1 .605 -6. ,978 1 .00 0 .00 0 ATOMO 521 CB ARG A 38 -4 .296 1 .408 -6. .800 1 .00 0 .00 c ATOMO 522 CG ARG A 38 -3 .998 2 .772 -6. .202 1 .00 0 .00 c ATOMO 523 CD ARG A 38 -5 .249 3 .408 -5. .620 1 .00 0 .00 c ATOMO 524 ME ARG A 38 -5 .199 4 .867 -5. .683 1 .00 0 .00 N ATOMO 525 CZ ARG A 38 -6 .126 5 .670 -5. .159 1 .00 0 .00 c ATOMO 526 NHl ARG A 38 -7 .180 5 .164 -4. ,525 1 .00 0 .00 N ATOMO 527 NH2 ARG A 38 -5 .998 6 .985 -5! .267 1 .00 0 .00 N ATOMO 528 H ARG A 38 -2 .860 -0 .207 -4. ,979 1 .00 0 .00 H ATOMO 529 HA ARG A 38 -5 .638 0 .714 -5. ,283 1 .00 0 .00 H ÁTOMO 530 1HB ARG A 38 -3 .405 1.052 -7. .295 1 .00 0 .00 H ATOMO 531 2HB ARG A 38 -5 .082 1 .524 -7. ,532 1 .00 0 .00 H ATOMO 532 1HG ARG A 38 -3 .265 2 .658 -5. ,417 1 .00 0 .00 H ATOMO 533 2HG ARG A 38 -3 .603 3 .414 -6. ,976 1 .00 0 .00 H ATOMO 534 1HD ARG A 38 -6 .106 3 .063 -6. ,179 1 .00 0 .00 H ATOMO 535 2HD ARG A 38 -5 .346 3 .104 -4. 589 1 .00 0 .00 H ATOMO 536 HE ARG A 38 -4 .432 5 .273 -6. ,142 1 .00 0 .00 H ATOMO 537 1HH1 ARG A 38 -7 .285 4 .175 -4. ,438 1 .00 0 .00 H ATOMO 538 2HH1 ARG A 38 -7 .867 5 .777 -4. ,135 1 .00 0 .00 H ATOMO 539 1HH2 ARG A 38 -5 .208 7 .374 -5. 741 1 .00 0 .00 H ATOMO 540 2HH2 ARG A 38 -6 .693 7 .589 -4. 875 1 .00 0 .00 H ATOMO 541 N ALA A 39 -6 .282 -1 .363 -6. ,441 1 .00 0 .00 N ATOMO 542 CA ALA A 39 -6 .689 -2 .617 -7. 061 1 .00 0 .00 c ATOMO 543 C ALA A 39 -6 .620 -2 .523 -8. 582 1 .00- 0 .00 c ATOMO 544 O ALA A 39 -7 .648 -2 .173 -9. 199 1 .00 0 .00 0 ATOMO 545 CB ALA A 39 -8 .094 -2 .996 -6. 616 1 .00 0 .00 c ATOMO 546 OXT ALA A 39 -5 .538 -2 .799 -9. 143 1 .00 0 .00 0 ATOMO 547 H ALA A 39 -6 .956 -0 .803 -6. 005 1 .00 0 .00 H ATOMO 548 HA ALA A 39 -6 .009 -3 .388. -6. 728 1 .00 0 .00 H ATOMO 549 1HB ALA A 39 -8 .034 -3 .682 -5. 783 1 .00 0, .00 H ATOMO 550 2HB ALA A 39 -8 .617 -3 .469 -7. 434 1 .00 0 .00 H ATOMO 551 3HB ALA A 39 -8 .627 -2 .108 -6. 313 1 .00 0, .00 H TER 552 ALA A 39 ENDMDL MODELO 25 ATOMO 1 N GLY A 1 -1 .313 -15 .799 2. 861 1 .00 0, .00 N ATOMO 2 CA GLY A 1 -0 .307 -14 .717 3. 049 1 .00 0, .00 c ATOMO 3 C GLY A 1 -0 .948 -13, .370 3. 319 1 .00 0. .00 c ATOMO 4 O GLY A 1 -1 .917 -12 .993 2. 660 1 .00 0. .00 o ATOMO 5 1H GLY A 1 -0 .926 -16 .545 2. 248 1 .00 0. .00 H ATOMO 6 2H GLY A 1 -2 .173 -15, .415 2. 422 1, .00 0. .00 H ATOMO 7 3H GLY A 1 -1, .564 -16 .216 3. 780 1 .00 0. .00 H ATOMO 8 1HA GLY A 1 0, .331 -14, .974 3, 881 1, .00 0. .00 H ATOMO 9 2HA GLY A 1 0, .297 -14. .644 2. 156 1, .00 0. ,00 H ATOMO 10 N SER A 2 -0. .405 -12, .644 4. 291 1, .00 0. ,00 N ATOMO 11 CA SER A 2 -0. .929 -11. .332 4. 647 1, .00 0. ,00 c ATOMO 12 C SER A 2 -0. .679 -10. .322 3. 531 1. .00 0. 00 c ATOMO 13 0 SER A 2 0, .301 -10. .430 2. 793 1, .00 0. ,00 0 ATOMO 14 CB SER A 2 -0. .289 -10. .839 5. 947 1. .00 0. 00 c ATOMO 15 OG SER A 2 0. .028 -11, .924 6. 802 1. .00 0. 00 0 ATOMO 16 H SER A 2 0. .367 -12. .999 4. 779 1. .00 0. 00 H ATOMO 17 HA SER A 2 -1. ,994 -11. .429 4. 796 1. ,00 0. 00 H ATOMO 18 1HB SER A 2 0.618 -10.301 5.717 1.00 0.00 H ATOMO 19 2HB SER A 2 -0 .977 -10 .183 6 .459 1 .00 0 .00 H ATOMO 20 HG SER A 2 0 .815 -11 .713 7 .309 1 .00 0 .00 H ATOMO 21 N CYS A 3 -1 .568 -9 .342 3 .414 1. .00 0 .00 N ATOMO 22 CA CYS A 3 -1 .442. -8 .314 2 .390 1 .00 0 .00 C ATOMO 23 C CYS A 3 -2 .098 -7 .015 2 .844 1 .00 0 .00 C ATOMO 24 0 CYS A 3 -2 .840 -6 .990 3 .826 1 .00 0 .00 0 ATOMO 25 CB CYS A 3 -2 .067 -8 .785 1 .073 1 .00 0 .00 C ATOMO 26 SG CYS A 3 -3 .841 -9 .196 1 .186 1 .00 0 .00 s ATOMO 27 H CYS A 3 -2 .326 , -9 .307 4 .034 1 .00 0 .00 H ATOMO 28 HA CYS A 3 -0 .389 -8 .134 2 .233 1 .00 0 .00 H ATOMO 29 1HB CYS A 3 -1 .959 -8 .005 0 .335 1 .00 0 .00 H ATOMO 30 2HB CYS A 3 -1 .546 -9 .668 0 .734 1 .00 0 .00 H ATOMO 31 N VAL A 4 -1 .822 -5 .941 2 .118 1 .00 0 .00 N ATOMO 32 CA VAL A 4 -2 .378 -4 .636 2 .430 1 .00 0 .00 c ATOMO 33 C VAL A 4 -3 .723 -4 .442 1 .723 1 .00 0 .00 C ATOMO 34 O VAL A 4 -3 .829 -4 .687 0 .526 1 .00 0 .00 0 ATOMO 35 CB VAL A 4 -1 .404 -3 .524 2 .003 1 .00 0 .00 c ATOMO 36 CG1 VAL A 4 -1 .983 -2 .145 2 .281 1 .00 0 .00 c ATOMO 37 CG2 VAL A 4 -0 .068 -3 .704 2 .704 1 .00 0 .00 c ATOMO 38 H VAL A 4 -1 .225 -6 .026 1 .347 1 .0.0 0 .00 H ATOMO 39 HA VAL A 4 -2 .516 -4 .579 3 .497 1 .00 0 .00 H ATOMO 40 HB VAL A 4 -1 .240 -3 .612 0 .939 1 .00 0 .00 H ATOMO 41 1HG1 VAL A 4 -1 .205 -1 .404 2 .197 1 .00 0 .00 H ATOMO 42 2HG1 VAL A 4 -2 .398 -2 .125 3 .278 1 .00 0 .00 H ATOMO 43 3HG1 VAL A 4 -2 .763 -1 .934 1 .563 1 .00 0 .00 H ATOMO 44 1HG2 VAL A 4 0 .079 -4 .751 2 .928 1 .00 0 .00 H ATOMO 45- 2HG2 VAL A 4 -0 .064 -3 .136 3 .622 1, .00 0, .00 H ATOMO 46 3HG2 VAL A 4 0 .726 -3 .360 2 .061 1, .00 0, .00 H ATOMO 47 N PRO A 5 -4 .771 -3 .990 2 .436 1, .00 0, .00 N ATOMO 48 CA PRO A 5 -6 .082 -3 .776 1 .822 1 .00 0, .00 c ATOMO 49 C PRO A 5 -6 .053 -2 .640 0 .805 1, .00 0. .00 c ATOMO 50 O PRO A 5 -5 .466 -1 .579 1 .049 1, .00 0, ,00 0 ATOMO 51 CB PRO A 5 -6 .998 -3 .418 3 .003 1, .00 0, .00 c ATOMO 52 CG PRO A 5 -6 .225 -3 .760 4, .234 1, ,00 0, ,00 c ATOMO 53 CD PRO A 5 -4 .775 -3 .644 3 .866 1, .00 0. ,00 c ATOMO 54 HA PRO A. 5 -6, .442 .677 1, .342 1, .00 0. .00 H ATOMO 55 1HB PRO A 5 -7, .237. -2 .365 2 .969 1, ,00 0. .00 H ATOMO 56 2HB PRO A 5 -7 .909 -3 .996 2, .939. 1, ,00 0. .00 H ATOMO 57 1HG PRO A 5 -6, .467 -3 .064 5. .024 1. ,00 0. ,00 H ATOMO 58 2HG PRO A 5 -6, .454 -4 .770 4, .542 1. .00 0. ,00 H ATOMO 59 1HD PRO A 5 -4, .423 -2 .634 4, .022 1. .00 0. ,00 H ATOMO 60 2HD PRO A 5 -4. .185 -4, .344 4. ,436 ,00 0. ,00 H ATOMO 61 N VAL A 6 -6. .700 -2. .854 -0, .338 1. .00 0. ,00 N ATOMO 62 CA VAL A 6 -6, .749 -1, .843 -1. ,376 1. ,00 .0. 00 c ATOMO 63 C VAL A 6 -7. .371 -0, .572 -0, ,834 1. ,00 0. 00 c ATOMO 64 O VAL A 6 -8. .190 -0. .613 0. ,084 1. 00 0. 00 0 ATOMO 65 CB VAL A 6 -7, ,528 -2, .343 -2. .607 1. 00 0. 00 c ATOMO 66 CG1 VAL A 6 -7, .609 r-1, .270 -3. .682 1. 00 0. 00 c ATOMO 67 CG2 VAL A 6 -6. .869 -3, .594 -3, .157 1. 00 0. 00 c ATOMO 68 H VAL A 6 -7. .162 -3, .701 -0. ,478 1. 00 0. 00 H ATOMO 69 HA VAL A 6 -5. .734 -1, ,632 -1. ,680 1. 00 0. 00 H ATOMO 70 HB VAL A 6 -8. ,532 -2, ,594 -2. ,300 1. 00 0. 00 H ATOMO 71 1HG1 VAL A 6 -8. ,161 -0, ,424 -3. ,302 1. 00 0. 00 H ATOMO 72 2HG1 VAL A 6 -8. 111 -1. ,670 -4. 550 1. 00 0. 00 H ATOMO 73 3HG1 VAL A 6 -6. 612 -0. , 959 -3. 952 1. 00 0. 00 H ATOMO 74 1HG2 VAL A 6 -5. ,812 -3, ,569 -2. 929 1. 00 0. 00 H ATOMO 75 2HG2 VAL A 6 -7.005 -3.632 -4.227 1.00 0.00 H ATOMO 76 3HG2 VAL A 6 -7 .315 -4 .464 -2 .702 1 .00 0.00 H ATOMO 77 N ASP A 7 -6 .944 0 .558 -1 .381 1 .00 0.00 N ATOMO 78 CA ASP A 7 -7 .410 1 .857 -0 .943 1 .00 0.00 c ATOMO 79 C ASP A 7 -6 .800 2 .224 0 .413 1 .00 0.00 c ATOMO 80 0 ASP A 7 -7 .148 3 .254 0 .991 1 .00 0.00 0 ATOMO 81 CB ASP A 7 -8 .937 1 .900 -0 .872 1 .00 0.00 c ATOMO 82 CG ASP A 7 -9 .589 1 .379 -2 .138 1 .00 0.00 c ATOMO 83 ODl ASP A 7 -10 .396 0 .430 -2 .0 4 1 .00 0.00 0 ATOMO 84 0D2 ASP A 7 -9 .293 1 .921 -3 .224 1 .00 0.00 0 ATOMO 85 H ASP A 7 -6 .272 0 .516 -2 .078 1 .00 0.00 H ATOMO 86 HA ASP A 7 -7 .077 2 .581 -1 .671 1 .00 0.00 H ATOMO 87 1HB ASP A 7 -9 .270 1 .294 -0 .044 1 .00 0.00 H ATOMO 88 2HB ASP A 7 -9 .249 2 .916 -0 .720 1 .00 0.00 H ATOMO 89 N GLN A 8 -5 .873 1 .392 0 .921 1 .00 0.00 N ATOMO 90 CA GLN A 8 -5 .230 1 .671 2 .193 1 .00 0.00 c ATOMO 91 G GLN A 8 -3 .738 1 .925 1 .989 1 .00 0.00 c ATOMO 92 0 GLN A 8 -3 .156 1 .468 1 .00.5 1 .00 0.00 o ATOMO 93 CB GLN A 8 -5 .437 0 .516 3 .173 1 .00 0.00 c ATOMO 94 CG GLN A 8 -6 .887 0 .082 3 .302 1 .00 0.00 c ATOMO 95 CD GLN A 8 -7 .800 1 .217 3 .724 1 .00 0.00 c ATOMO 96 OEl GLN A 8 -7 .350 2 .211 4 .296 1 .00 0.00 o ATOMO 97 NE2 GLN A 8 -9 .089 1 .075 3 .444 1 .00 0.00 N ATOMO 98 H GLN A 8 -5 .610 0 .584 0 .428 1 .00 0.00 H ATOMO 99 HA GLN A 8 -5 .680 2 .562 2 .596 1 .00 0.00 H ATOMO 100 1HB GL A .8 -4 .857 -0 .330 2 .841 1 .00 0.00 H ATOMO 101 2HB GLN A 8 -5 .087 0 .820 4 .148 1 .00 0.00 H ATOMO 102 1HG GLN. A 8 -7 .224 -0 .293 2 .348 1 .00 0.00 H ATOMO 103 2HG GLN A 8 -6 .949 -0 .703 4 .040 1 .00 0.00 H ATOMO 104 1HE2 GLN A 8 -9 .377. 0 .257 2 .987 1 .00 0.00 H ATOMO 105 2HE2 GLN A 8 -9 .702 1 .793 3 .706 1 .00 0.00 H ATOMO 106 N PRO A 9 -3 .096 2 .672 2 .905 1 .00 0.00 N ATOMO 107 CA PRO A 9 -1 .672 2 .988 2 .791 1 .00 0.00 c ATOMO 108 C PRO A 9 -0 .772 1 .767 2 .910 1 .00 0.00 c ATOMO 109 0 PRO A 9 -1 .012 0 .871 3 .719 1 .00 0.00 o ATOMO 110 CB PRO A 9 -1 .409 3 .952 3 .947 1 .00 0.00 c ATOMO 111 CG PRO A 9 -2 .519 3 .719 4 .915 1 .00 0.00 c ATOMO 112 CD PRO A 9 -3 .704 3 .281 4 .104 1 .00 0.00 c ATOMO 113 HA PRO A 9 -1 .460 3 .488 1 .860 1 .00 0.00 H ATOMO 114 1HB PRO A 9 -0 .447 3 .733 4 .391 1 .00 0.00 H ATOMO 115 2HB PRO A 9 -1, .412 4., .961 3 .573 1 .00 0.00 H ATOMO 116 1HG PRO A 9 -2. .240 2 .947 5 .614 1 .00 0.00 H ATOMO 117 2HG PRO A 9 -2 .746 4. .633 5 .439 1. .00 0.00 H ATOMO 118 1HD PRO A 9 -4. .285 2 .556 4, .651 1, .00 0.00 H ATOMO 119 2HD PRO A 9 -4. .316 4. .130 3 .835 1, .00 0.00 H ATOMO 120 N CYS A 10 0, .277 1, .760 2 .101 1 .00 0.00 N ATOMO 121 CA CYS A 10 1. .249 0, .676 2 .099 1, .00 0.00 c ATOMO 122 C CYS A 10 2. .665 1, .233 2 .175 1, .00 0.00 c ATOMO 123 O CYS A 10 2. .863 2, .445 2 .268 1, .00 0.00 o ATOMO 124 CB CYS A 10 1. .096 -0, .181 0, .841 1. .00 0.00 c ATOMO 125 SG CYS A 10 0. ,966 0. .778 -0, ,703 1, .00 0.00 S ATOMO 126 H CYS A 10 0. .406 2. .516 1. .493 1, .00 0.00 H ATOMO 127 HA CYS A 10 1. ,067 0, .062 2. .968 1. ,00 0.00 H ATOMO 128 1HB CYS A 10 1. ,952 -0. ,832 0. ,750 1. ,00 0.00 H ATOMO 129 2HB CYS A 10 0. ,205 -0. ,780 0. ,933 1. ,00 0.00 H ATOMO 130 N SER A 11 3. .646 0. ,343 2. .134 1. ,00 0.00 N ATOMO 131 CA SER A 11 5. 047 0. ,743 2. .195 1. ,00 0.00 c ATOMO 132 C SER A 11 5.894 -0.,098 1.247 1.00 0..00 C ATOMO 133 o SER A 11 5 .540 -1, .231 0 .921 1 .00 0. .00 o ATOMO 134 CB SER A 11 5 .577 0, .614 3 .624 1 .00 0. .00 C ATOMO 135 OG SER A 11 6 .435 1, .694 3 .950 1 .00 0. .00 0 ATOMO 136 H SER A 11 3 .422 -0, .605 2 .058 1 .00 0. .00 H ATOMO 137 HA SER A 11 5 .109 1. .777 1 .891 1 .00 0. ,00 H ATOMO 138 1HB SER A 11 4 .748 0. .611 4 .314 1 .00 0. ,00. H ATOMO 139 2HB SER A 11 6 .129 -0. .310 3 .720 1 .00 0. ,00 H ATOMÓ 140 HG SER A 11 7 .273 1, .352 4 .267 1 .00 0. ,00 H ATOMO 141 N LEU A 12 7 .013 0, .465 0 .809 1 .00 0. .00 N ATOMO 142 CA LEU A 12 7 .913 -0, .233 -0 .103 1 .00 0. .00 C ATOMO 143 C LEU A 12 8 .629 -1. .394 0 .592 1 .00 0. .00 C ATOMO 144 O LEU A 12 9 .123 -2. .308 -0 .068 1 .00 0. ,00 o ATOMO 145 CB LEU A 12 8 .941 0. .734 -0 .709 1 .00 0. ,00 C ATOMO 146 CG LEU A 12 9 .637 1, .682 0 .276 1 .00 0. .00 C ATOMO 147 CD1 LEU. A 12 10 .382 0. .903 1 .349 1 .00 0. ,00 C ATOMO 148 CD2 LEU A 12 10 .592 2. .601 -0 .469 1 .00 0. .00 C ATOMO 149 H LEU A 12 7 .238 1. .370 1 .106 1. .00 0. .00 H ATOMO 150 HA LEU A 12 7 .311 -0. ,638 -0 .903 1, .00 0. ,00 H ATOMO 151 1HB LEU A 12 9 .701 0. ,147 -1 .203 1 .00 0. .00 H ATOMO 152 2HB LEU A 12 8 .438 1, .333 -1 .453 1 .00 0. ,00 H ATOMO 153 HG LEU A 12 8 .898 2. .297 0 .763 1, .00 0. ,00 H ATOMO 154 1HD1 LEU A 12 11 .247 1. .466 1 .667 1, .00. .0. .00 H ATOMO 155 2HD1 LEU A 12 10 .701 -0. ,048 0 .947 1, .00 0. 00 . H ATOMO 156 3HD1 LEU A 12 9 .728 0. ,736 2 .192 1, .00 0. 00 H ATOMO 157 1HD2 LEU A 12 11 .003 2. ,080 -1 .321 1, .00 0. 00 H ATOMO 158 2HD2 LEU A 12 11 .392 2. ,900 0 .191 1, .00 0. ,00 H ATOMO 159 3HD2 LEU A 12 10 .057 3. ,477 -0 .807 1, .00 0. 00 H ATOMO 160 N ASN A 13 8 .684 -1. ,356 1 .923 1, .00 0. ,00 N ATOMO 161 CA ASN A 13 9. .339 -2. 408 2 .689 1, .00 0. 00 C ATOMO 162 C ASN A 13 8, .328 -3. 287 3 .431 1. .00 0. 00 C ATOMO 163 O ASN A 13 8 .711 -4. 098 4 .275 1, .00 0. 00 0 ATOMO 164 CB ASN A 13 10. .322 -1. 797 3, .688 1, .00 0. 00 C ATOMO 165 CG ASN A 13 9, .645 -0. 852 4 .661 1, .00 0. 00 C ATOMO 166 OD1 ASN A 13 9, .740 0. 368 4, .529 1, .00 0. 00 0 ATOMO 167 ND2 ASN A 13 8. .954 -1. 414 5, .647 1. .00 0. 00 N ATOMO 168 H ASN A 13 8. ,274 -0. 608 2. .401 1. ,00 0. 00 H ATOMO 169 HA ASN A 13 9. .889 -3. 025 1. .995 1. ,00 0. 00 H ATOMO 170 1HB ASN A 13 10, ,792 -2. 589 4, .252 1. .00 0. 00 H ATOMO 171 2HB ASN A 13 11, .079 -1. 247 3, .148 1. .00 0. 00 H ATOMO 172 1HD2 ASN A 13 8. .922 -2. 393 5. .691 1. ,00 0. 00 H ATOMO 173 2HD2 ASN A 13 8. .506 -0. 826 6. .290 1. ,00 0. 00 H ATOMO 174 N THR A 14 7. .040 -3. 129 3. .121 1. ,00 0. 00 N ATOMO 175 CA THR A 14 6, .002 -3. 916 3. ,771 1. 00 0. 00 c ATOMO 176 C THR A 14 5. .433 -4. 960 2. .816 1. ,00 0. 00 c ATOMO 177 0 THR A 14 5, .895 -5. 098 1. .683 1. ,00 0. 00 0 ATOMO 178 CB THR A 14 4. .882 -3. 003 4. .274 1. 00 0. 00 c ATOMO 179 0G1 THR A 14 4. ,338 -2. 243 3. .210 1. 00 0. 00 o ATOMO 180 CG2 THR A 14 5. ,337 -2. 034 5. ,345 1. 00 0. 00 c ATOMO 181 H THR A 14 6. 782 -2. 474 2. 445 1. 00 0. 00 H ATOMO 182 HA THR A 14 6. 447 -4. 421 4. 614 1. 00 0. 00 H ATOMO 183 HB THR A 14 4. 094 -3. 612 4. .694 1. 00 0. 00 H ATOMO 184 HG1 THR A 14 4. 020 -2. 835 2. 524 1. 00 0. 00 H ATOMO 185 1HG2 THR A 14 5. 260 -2. 505 6. 313 1. 00 0. 00 H ATOMO 186 2HG2 THR A 14 4. 712 -1. 152 5. 322 1. 00 0. 00 H ATOMO 187 3HG2 THR A 14 6. 364 -1. 752 5. 162 1. 00 0. 00 H ATOMO 188 N GLN A 15 4. 431 -5. 692 3. 283 1. 00 0. 00 N ATOMO 189 CA GLN A 15 3.794 -6.727 2.478 1.00 0.00 c ATOMO 190 C GLN A 15 3. 058 -6. 116 1. 285 1. 00 0 .00 c ATOMO 191 0 GLN A 15 2. 654 -4. 954 1. 332 1. 00 0 .00 o ATOMO 192 CB GLN A 15 2. 809 -7. 534 3. 329 1. 00 0 .00 c ATOMO 193 CG GLN A 15 3. 320 -7. 858 4. 727 1. 00 0 .00 c ATOMO 194 CD GLN A 15 2. 418 -7. 322 5. 822 1. 00 0 .00 c ATOMO 195 OEl GLN A 15 1. 203 -7. 520 5. 795 1. 00 0 .00 o ATOMO 196 NE2 GLN A 15 3. 010 -6. 637 6. 794 1. 00 0 .00 N ATOMO 197 H GLN A 15 4. 110 -5. 535 4. 193 1. 00 0 .00 H ATOMO 198 HA GLN A 15 4. 566 -7. 387 2. 112 1. 00 0 .00 H ATOMO 199 1HB GLN A 15 1. 891 -6. 973 3. 424 1. 00 0 .00 H ATOMO 200 2HB GLN A 15 2. 599 -8. 463 2. 825 1. 00 0 .00 H ATOMO 201 1HG GLN A 15 3. 386 -8. 930 4. 831 1. 00 0 .00 H ATOMO 202 2HG GLN A 15 4. 303 -7. 426 4. 847 1. ,00 0 .00 H ATOMO 203 1HE2 GLN A 15 3. 982 -6. 519 6. 751 1. 00 0 .00 H ATOMO 204 2HE2 GLN A 15 2. 451 -6. 279 7. 515 1. 00 0 .00 H ATOMO 205 N PRO A 16 2. 862 -6. 890 0. 197 1. ,00 0 .00 N ATOMO 206 CA PRO A 16 2. 158 -6. 400 -0. 993 1. 00 0 .00 c ATOMO 207 C PRO A 16 0. 709 -6. 048 -0. 684 1. 00 0 .00 c ATOMO 208 O PRO A 16 0. 273 -6. 134 0. 463 1. 00 0 .00 o ATOMO 209 CB PRO A 16 2. 229 -7. 577 -1. 972 1. 00 0 .00 c ATOMO 210 CG PRO A 16 2. 472 -8. 774 -1. 120 1. 00 0 .00 c ATOMO 211 CD PRO A 16 3. 292 -8. 293 0. 041 1. 00 0 .00 c ATOMO 212 HA PRO A 16 2. 653 -5. 539 -1. 420 1. 00 0 .00 H ATOMO 213 1HB PRO A 16 1. 294 -7. 657 -2. 509 1. 00 0 .00 H ATOMO 214 2HB PRO A 16 3. 037 -7. 420 -2. 670 1. 00 0 .00 H ATOMO 215 1HG PRO A 16 1. 531 -9. 176 -0. 774 1. 00 0 .00 H ATOMO 216 2HG PRO A 16 3. 015 -9. 520 -1. 680 1. 00 0 .00 H ATOMO 217 1HD PRO A 16 3. 067 -8. 867 0. 927 1. 00 0 .00 H ATOMO 218 2HD PRO A 16 4. 346 -8. 349 -0. 190 1. 00 0 .00 H ATOMO 219 N CYS A 17 -0. 035 -5. 649 -1. 709 1. 00 0 .00 N ATOMO 220 CA CYS A 17 -1. 434 -5. 286 -1. 532 1. 00 0 .00 c ATOMO 221 C CYS A 17 -2. 345 -6. 494 -1. 729 1. 00 0 .00 c ATOMO 222 O CYS A 17 -1. 888 -7. 586 -2. 065 1. 00 0 .00 o ATOMO 223 CB CYS A 17 -1. 825 -4. 168 -2. 501 1. 00 0 .00 c ATOMO 224 SG CYS A 17 -0. 782 -2. 680 -2. 380 1. 00 0 .00 S ATOMO 225 H CYS A 17 0. 364 -5. 598 -2. 601 1. 00 0 .00 H ATOMO 226 HA CYS A 17 -1. 556 -4. 927 -0. 521 1. 00 0 .00 H ATOMO 227 1HB CYS A 17 -1. 755 -4. 538 -3. 513 1. 00 0 .00 H ATOMO 228 2HB CYS A 17 -2. 844 -3. 872 -2. 301 1. 00 0 .00 H ATOMO 229 N CYS A 18 -3. 635 -6. 283 -1. 508 1. 00 0 .00 N ATOMO 230 CA CYS A IB -4. 630 -7. 339 -1. 645 1. 00 0, .00 c ATOMO 231 C CYS A 18 -5. 414 -7. 174 -2. 942 1. 00 0 .00 c ATOMO 232 O CYS A 18 -5. 350 -6. 131 -3. 590 1. 00 0 .00 o ATOMO 233 CB CYS A 18 -5. 588 -7. 314 -0. 452 1. 00 0, .00 c ATOMO 234 SG CYS A 18 -4. 765 -7. 387 1. 173 1. 00 0, .00 s ATOMO 235 H CYS A 18 -3. 927 -5. 389 -1. 237 1. 00 0, .00 H ATOMO 236 HA CYS A 18 -4. 113 -8. 286 -1. 665 1. 00 0, .00 H ATOMO 237 1HB CYS A 18 -6. 164 -6. 402 -0. 484 1. 00 0. .00 H ATOMO 238 2HB CYS A 18 -6. 260 -8. 155 -0. 519 1. 00 0, .00 H ATOMO 239 N ASP A 19 -6. 154 -8. 211 -3. 317 1. 00 0, .00 N ATOMO 240 CA ASP A 19 -6. 954 -8. 183 -4. 541 1. 00 0, .00 c ATOMO 241 C ASP A 19 -6. 093 -7. 838 -5. 753 1. 00 0, .00 c ATOMO 242 O ASP A' 19 -6. 567 -7. 229 -6. 713 1. 00 0, .00 o ATOMO 243 CB ASP A 19 -8. 093 -7. 171 -4. 406 1. 00 0, .00 c ATOMO 244 CG ASP A 19 -9. 018 -7. 490 -3. 247 1. 00 0, .00 c ATOMO 245 OD1 ASP A 19 -8. 568 -8. 164 -2. 298 1. 00 0, .00 o ATOMO 246 OD2 ASP A 19 -10.191 -7.065 -3.290 1.00 0.00 0 ATOMO 247 H ASP A 19 -6. 163 -9 .015 -2 .759 1 .00 0. 00 H ATOMO 248 HA ASP A 19 -7. 375 -9 .167 -4 .682 1 .00 0. 00 H ATOMO 249 1HB ASP A 19 -7. 676 -6 .187 -4 .249 .1 .00 0. 00 H ATOMO 250 2HB ASP A 19 -8. 674 -7 .169 -5 .317 1 .00 0. 00 H ATOMO 251 N ASP A 20 -4. 823 -8 .230 -5 .698 1 .00 0. 00 N ATOMO 252 CA ASP A 20 -3. 886 -7 .963 -6 .786 1 .00 0. 00 C ATOMO 253 C ASP A 20 -3. 653 -6 .466 -6 .954 1 .00 0. 00 C ATOMO 254 0 ASP A 20 -3. 495 -5 .973 -8 .071 1 .00 0. 00 0 ATOMO 255 CB ASP A 20 -4. 396 -8 .566 -8 .097 1 .00 0. 00 c ATOMO 256 CG ASP A 20 -3. 268 -9 .013 -9 .006 1 .00 0. 00 c ATOMO 257 ODl ASP A 20 -2. 435 -9.830 -B .561 1.00 0. 00 0 ATOMO 258 OD2 ASP A 20 -3. 217 -8 .545 -10 .163 1 .00 0. 00 0 ATOMO 259 H ASP A 20 -4. 506 -8 .709 -4 .905 1 .00 0. 00 H ATOMO 260 HA ASP A 20 -2. 948 -8 .429 -6 .52B 1 .00 0. 00 H ATOMO 261 1HB ASP A 20 -5. 015 -9 .423 -7 .876 1 .00 0. 00 H ATOMO 262 2HB ASP A 20 -4. 985 -7 .828 -8 .621 1 .00 0. 00 H ATOMO 263 N ALA A 21 -3. 625 -5 .747 -5 .836 1 .00 0. 00 N ATOMO 264 CA ALA A 21 -3. 403 -4 .306 -5 .863 1 .00 0. 00 c ATOMO 265 C ALA A 21 -1. 918 -3 .990 -6 .000 1 .00 0. 00 c ATOMO 266 0 ALA A 21 -1. 079 -4 .890 -6 .001 1 .00 0. 00 o ATOMO 267 CB ALA A 21 -3. 964 -3 .654 -4 .606 1 .00 0. 00 c ATOMO 268 H ALA A 21 -3. 751 -6 .198 -4 .976 1 .00 0. 00 H ATOMO 269 HA ALA A 21 -3. 928 -3 .903 -6 .716 1 .00 0. 00 H ATOMO 270 1HB ALA A 21 -3. 999 -4 .380 -3 .810 1 .00 0. 00 H ATOMO 271 2HB ALA A 21 -4. 961 -3 .289 -4 .805 1 .00 0. 00 H ATOMO 272 3HB ALA A 21 -3. 331 -2 .828 -4 .313 1 .00 0. 00 H ATOMO 273 N THR A 22 -1. 602 -2 .705 -6 .115 1 .00 0. 00 N ATOMO 274 CA THR A 22 -0. 223 -2 .270 -6 .251 1 .00 0. 00 c ATOMO 275 C THR A 22 0. 042 -1 .036 -5 .395 1 .00 0. 00 c ATOMO 276 O THR A 22 -0. 794 -0 .135 -5 .312 1 .00 0. 00 o ATOMO 277 CB THR A 22 0. 091 -1 .967 -7 .715 1 .00 0. 00 c ATOMO 278 OGl THR A 22 -0. 165 -3 .099 -8 .528 1 .00 0. 00 0 ATOMO 279 CG2 THR A 22 1. 527 -1 .553 -7 .945 1 .00 0. 00 c ATOMO 280 H THR A 22 -2. 315 -2 .034 -6 .108 1 .00 0. 00 H ATOMO 281 HA THR A 22 0. 415 -3 .073 -5 .913 1 .00 0. 00 H ATOMO 282 HB THR A 22 -0. 543 -1 .158 -8 .049 1 .00 0. 00 H ATOMO 283 HGl THR A 22 -0. 793 -2 .864 -9 .215 1 .00 0. 00 H ATOMO 284 1HG2 THR A 22 1. 610 -1 .062 -8 .902 1 .00 0. 00 H ATOMO 285 2HG2 THR A 22 2. 159 -2 .428 -7 .931 1 .00 0. 00 H ATOMO 286 3HG2 THR A 22 1. 834 -0 .875 -7 .162 1 .00 0. 00 H ATOMO 287 N CYS A 23 1. 211 -1 .000 -4 .765 1 .00 0. 00 N ATOMO 288 CA CYS A 23 1. 591 0 .125 -3 .921 1 .00 0. 00 c ATOMO 289 C CYS A 23 2. 065 1 .286 -4 .792 1 .00 0. 00 c ATOMO 290 O CYS A 23 3. 09.8 1 .192 -5 .456 1 .00 0. 00 o ATOMO 291 CB CYS A 23 2. 695 -0 .302 -2 .949 1 .00 0. 00 c ATOMO 292 SG CYS A 23 2. 846 0 .750 -1 .470 1 .00 0. 00 s ATOMO 293 H CYS A 23 1. 836 -1 .748 -4 .874 1 .00 0. 00 H ATOMO 294 HA CYS A 23 0. 721 0 .436 -3 .361 1 .00 o : 00 H ATOMO 295 1HB CYS A 23 2. 498 -1 .309 -2 .614 1 .00 0. 00 H ATOMO 296 2HB CYS A 23 3. 644 -0 .281 -3 .465 1 .00 0. 00 H ATOMO 297 N THR A 24 1. 294 2 .370 -4 .810 1 .00 0. 00 N ATOMO 298 CA THR A 24 1. 623 3 .531 -5 .624 1 .00 0. 00 c ATOMO 299 C THR A 24 1. 800 4 .788 -4 .776 1 .00 0. 00 c ATOMO 300 O THR A 24 1. 257 4 .905 -3 .678 1 .00 0. 00 o ATOMO 301 CB THR A 24 0. 530 3 .758 -6 .679 1 .00 0. 00 c ATOMO 302 OGl THR A 24 0. 531 2 .710 -7 .631 1 .00 0. 00 o ATOMO 303 CG2 THR A 24 0.669 5.064 -7.437 1.00 0.00 C ATOMO 304 H THR A 24 0 .474 2 .383 -4. 279 1 .00 0. 00 H ATOMO 305 HA THR A 24 2 .554 3 .325 -6. 131 1 .00 0. 00 H ATOMO 306 HB THR A 2 -0 .432 3 .763 -6. 185 1 .00 0. 00 H ATOMO 307 HG1 THR A 24 -0 .110 2 .043 -7. 376 1 .00 0. 00 H ATOMO 308 1HG2 THR A 24 0 .467 5 .890 -6. 768 1 .00 0. 00 H ATOMO 309 2HG2 THR A 24 -0 .032 5. .085 -8. 255 1 .00 0. 00 H ATOMO 310 3HG2 THR A 24 1 .675 5 .153 -7. 820 1 .00 0. 00 H ATOMO 311 N GLN A 25 2 .552 5 .732 -5. 330 1 .00 0. 00 N ATOMO 312 CA GLN A 25 2 .808 7 .006 -4. 682 1 .00 0. 00 C ATOMO 313 C GLN A 25 1 .587 7 .917 -4. 814 1 .00 0. 00 c ATOMO 314 0 GLN A 25 1 .046 8 .093 -5. 905 1 .00 0. 00 0 ATOMO 315 CB GLN A 25 4 .038 7 .667 -5. 313 1 .00 0. 00 c ATOMO 316 CG GLN A 25 4 .297 9 .075 -4. 816 1 .00 o.. 00 c ATOMO 317 CD GLN A 25 5 .704 9 .555 -5. 116 1 .00 0. 00 c ATOMO 318 OE1 GLN A 25 6 .677 9 .045 -4. 560 1 .00 0. 00 0 ATOMO 319 NE2 GLN A 25 5 .819 10 .539 -6. 000 1 .00 0. 00 N ATOMO 320 H GLN A 25 2 .933 5 .570 -6. 214 1 .00 0. 00 H ATOMO 321 HA GLN A 25 3 .002 6 .825 -3. 637 1 .0.0 0. 00 H ATOMO 322 1HB GLN A 25 4 .907 7 065 -5. 091 1 .00 0. 00 H ATOMO 323 2HB GLN A 25 3 .902 7 .704 -6. 384 1 .00 0. 00 H ATOMO 324 1HG GLN A 25 3 .594 9 .740 -5. 294 1 .00 0. 00 H ATOMO 325 2HG GLN A 25 4 .142 9 .096 -3. 750 1 .00 0. 00 H ATOMO 326 1HE2 GLN A 25 5 .000 10 .897 -6. 403 1 .00 0. 00 H ATOMO 327 2HE2 GLN A 25 6 .717 10 .868 -6. 212 1 .00 0. 00 H ATOMO 32B N GLÜ A 26 1 .163 8 .491 -3. 696 1 .00 0. 00 N ATOMO 329 CA GLÜ A 26 0 .011 9 .382 -3. 683 1 .00 0. 00 c ATOMO 330 C GLO A 26 0 .225 10 .534 -2. 706 1 .00 0. 00 c ATOMO 331 0 GLÜ A 26 1 .277 10 .640 -2. 077 1 .00 0. 00 0 ATOMO 332 CB GLÜ A 26 -1 .255 8 .610 -3. 311 1 .00 0. 00 c ATOMO 333 CG GLÜ A 26 -1 .519 7 .412 -4. 207 1 .00 0. 00 c ATOMO 334 CD GLÜ A 26 -2 .853 6 .752 -3. 919 1 .00 0. 00 c ATOMO 335 OE1 GLÜ A 26 -3 .002 5 .552 -4. 233 1 .00 0. 00 0 ATOMO 336 0E2 GLÜ A 26 -3 .749 7 .434 -3. 378 1 .00 0. 00 0 ATOMO 337 H GLÜ A 26 1 .639 8 .310 -2. 859 1 .00 0. 00 H ATOMO 338 HA GLU A 26 -0 .105 9 .788 -4. 676 1 .00 0. 00 H ATOMO 339 1HB GLÜ A 26 -1 .163 8 .262 -2. 293 1 .00 0. 00 H ATOMO 340 2HB GLU A 26 -2 .101 9 .276 -3. 378 1 .00 0. 00 H ATOMO 341 1HG GLÜ A 26 -1 .512 7 .739 -5. 236 1 .00 0. 00 H ATOMO 342 2HG GLÜ A 26 -0 .734 6 .686 -4. 056 1 .00 0. 00 H ATOMO 343 N ARG A 27 -0 .780 11 .391 -2. 586 1 .00 0. 00 N ATOMO 344 CA ARG A 27 -0 .710 12 .536 -1. 690 1 .00 0. 00 c ATOMO 345 C ARG A 27 -1 .697 12 .386 -0. 537 1. .00 0. 00 c ATOMO 346 O ARG A 27 -2 .786 11 .836 -0. 708 1 .00 0. 00 o ATOMO 347 CB ARG A 27 -1 .001 13 .824 -2. 459 1 .00 0. 00 c ATOMO 348 CG ARG A 27 0 .057 14 .166 -3. 497 1 .00 0. 00 c ATOMO 349 CD ARG A 27 1 .078 15 .148 -2. 948 1 .00 0. 00 c ATOMO 350 NE ARG A 27 2 .069 15 .528 -3. 954 1 .00 0. 00 N ATOMO 351 CZ ARG A 27 3 .181 16 .213 -3. 687 1 .00 0. 00 c ATOMO 352 NH1 ARG A 27 3 .458 16 .601 -2. 447 1 .00 0. 00 N ATOMO 353 NH2 ARG A 27 4 .023 16 .512 -4. 668 1 .00 0. 00 N ATOMO 354 H ARG A 27 -1 .592 11 .251 -3. 116 1 .00 0. 00 H ATOMO 355 HA ARG A 27 0, .291 12 .585 -1. 288 1 .00 0. 00 H ATOMO 356 1HB ARG A 27 -1 .950 13 .720 -2. 966 1 .00 0. 00 H ATOMO 357 2HB ARG A 27 -1. .065 14 .641 -1. 759 1 .00 0. 00 H ATOMO 358 1HG ARG A 27 0, .566 13 .260 -3. 789 1 .00 0. 00 H ATOMO 359 2HG ARG A 27 -0 .425 14 .605 -4. 358 1 .00 0. 00 H ATOMO 360 1HD ARG A 27 0.562 16.036 -2.613 1.00 0.00 H ATOMO 361 2HD ARG A 27 1 .586 14 .692 -2 .111 1. .00 0 .00 H ATOMO 362 HE ARG A 27 1 .897 15 .257 -4 .880 1. 00 0 .00 H ATOMO 363 1HH1 ARG A 27 2 .830 16 .381 -1 .701 1. 00 0 .00 H ATOMO 364 2HH1 ARG A 27 4 .295 17 .115 -2 .260 1. ,00 0 .00 H ATOMO 365 1HH2 ARG A 27 3 .823 16 .223 -5 .604 1. ,00 0 .00 H ATOMO 366 2HH2 ARG A 27 4 .858 17 .026 -4 .471 1. ,00 0 .00 H ATOMO 367 N ASN A 28 -1 .312 12 .877 0 .638 1. .00 0 .00 N ATOMO 368. CA ASN A 28 -2 .169 12 .794 1 .815 1. ,00 0 .00 c ATOMO 369 C ASN A 28 -2 .826 14 .140 2 .106 1. ,00 0 .00 C ATOMO 370 0 ASN A 28 -2 .694 15 .088 1 .331 1. 00 0 .00 0 ATOMO 371 CB ASN A 28 -1 .361 12 .328 3 .030 1. ,00 0 .00 C ATOMO 372 CG ASN A 28 -0 .275 13 .311 3 .420 1. ,00 0 .00 c ATOMO 373 0D1 ASN A 28 0 .006 14 .262 2 .692 1. ,00 0 .00 0 ATOMO 374 ND2 ASN A 28 0 .343 13 .084 4 .574 1. 00 0 .00 N ATOMO 375 H ASN A 28 -0 .434 13 .304 0 .714 1. ,00 0 .00 H ATOMO 376 HA ASN A 28 -2 .942 12 .069 1 .611 1. ,00 0 .00 H ATOMO 377 1HB ASN A 28 -2 .026 12 .205 3 .871 1. ,00 0 .00 H ATOMO 378 2HB ASN A 28 -0 .897 11 .381 2 .802 1. ,00 0 .00 H ATOMO 379 1HD2 ASN A 28 0 .067 12 .306 5 .101 1. 00 0 .00 H ATOMO 380 2HD2 ASN A 28 1 .050 13 .704 4 .850 1. 00 0 .00 H ATOMO 381 N GLU A 29 -3 .536 14 .216 3 .227 1. 00 0 .00 N ATOMO 382 CA GLU A 29 -4 .213 15 .443 3 .621 1. 00 0 .00 c ATOMO 383 C GLU A 29 -3 :209 16 .553 3 .915 1. 00 0 .00 c ATOMO 384 0 GLU A 29 -3 .500 17 .734 3 .720 1. 00 0 .00 0 ATOMO 385 CB GLU A 29 -5 .086 15 .190 4 .852 1. 00 0 .00 c ATOMO 386 CG GLU A 29 -6 .383 14 .463 4 .539 1. 00 0 .00 c ATOMO 387 CD GLU A 29 -7 .511 15 .411 4 .183 1. 00 0 .00 c ATOMO 388 0E1 GLU A 29 -7 .230 16 .473 3 .589 1. 00 0 .00 0 ATOMO 389 OE2 GLU A 29 -8 .676 15 .092 4 .499 1. 00 0 .00 0 ATOMO 390 H GLU A 29 -3 .604 13 .427 3 .805 1. 00 0 .00 H ATOMO 391 HA GLU A 29 -4 .844 15 .751 2 .802 1. 00 0 .00 H ATOMO 392 1HB GLU A 29 -4 .526 14 .595 5 .559 1. 00 0 .00 H ATOMO 393 2HB GLU A 29 -5 .329 16 .137 5 .307 1. 00 0 .00 H ATOMO 394 1HG GLU A 29 -6 .216 13 .798 3 .704 1. 00 0 .00 H ATOMO 395 2HG GLU A 29 -6 .675 13 .886 5 .404 1. 00 0 .00 H ATOMO 396 N ASN A 30 -2 .026 16 .168 4 .385 1. 00 0 .00 N ATOMO 397 CA ASN A 30 -0 .981 17 .133 4 .705 1. 00 0 .00 c ATOMO 398 C ASN A 30 -0 .306 17 .653 3 .439 1. 00 0 .00 c ATOMO 399 0 ASN A 30 0 .177 18 .784 3 .403 . 1. 00 0 .00 0 ATOMO 400 CB ASN A 30 0 .061 16 .499 5 .628 1. 00 0 .00 c ATOMO 401 CG ASN A 30 -0 .464 16 .289 7 .035 1. 00 0 .00 c ATOMO 402 OD1 ASN A 30 -1 .414 15 .537 7 .249 1. 00 0 .00 0 ATOMO 403 ND2 ASN A 30 0 .152 16. .957 8. .004 1. 00 0 .00 N ATOMO 404 H ASN A 30 -1 .853 15. .213 4. .520 1. 00 0, .00 H ATOMO 405 HA ASN A 30 -1 .444 17, .963 5, .218 1. 00 0 .00 H ATOMO 406 1HB AS A 30 0 .353 15, .540 5, .227 1. 00 0, .00 H ATOMO 407 2HB ASN A 30 0. .927 17, .142 5. .679 1. 00 0, .00 H ATOMO 408 1HD2 ASN A 30 0 .903 17. .539 7. • 759 1. 00 0, .00 H ATOMO 409 2HD2 ASN A 30 -0 .167 16, .839 8. .922 1. 00 0, .00 H ATOMO 410 N GLY A 31 -0 .276 16, .821 2. .401 1. 00 0, .00 N ATOMO 411 CA GLY A 31 0, .342 17. .220 1. ,149 1. 00 0. .00 c ATOMO 412 C GLY A 31 1 .683 16, .545 0, .895 1. 00 0, .00 c ATOMO 413 0 GLY A 31 2 .328 16 .812 -0. .118 1. 00 0. .00 0 ATOMO 414 H GLY A 31 -0 .676 15. .930 2. .48.6 1. 00 0, .00 H ATOMO 415 1HA GLY A 31 -0, .327 16. .972 0. .340 1. 00 0, .00 H ATOMO 416 2HA GLY A 31 0, .489 18. .290 1, .161 1. 00 0. .00 H ATOMO 417 N HIS A 32 2.107 15.670 1.806 1.00 0.00 N ATOMO 418 CA HIS A 32 3. 376 14. 969 1 .653 1 .00 0. 00 c ATOMO 419 C HIS A 32 3. 187 13. 692 0 .840 1 .00 0. 00 c ATOMO 420 O HIS A 32 2. 083 13. 151 0 .764 1 .00 0. 00 o ATOMO 421 CB HIS A 32 3. 969 14. 644 3 .030 1 .00 0. 00 c ATOMO 422 CG HIS A 32 5. 234 15. 388 3 .324 1 .00 0. 00 c ATOMO 423 NDl HIS A 32 6. 239 15. 562 2 .394 1 .00 0. 00 N ATOMO 424 CD2 HIS A 32 5. 658 16. 006 4 .452 1 .00 0. 00 c ATOMO 425 CEl HIS A 32 7. 224 16. 254 2 .938 1 .00 0. 00 c ATOMO 426 NE2 HIS A 32 6. 895 16.536 4 .186 1 .00 0. 00 N ATOMO 427 H HIS A 32 1. 558 15. 487 2 .595 1 .00 0. 00 H ATOMO 428 HA HIS A 32 4. 053 15. 621 1 .124 1 .00 0. 00 H ATOMO 429 1HB HIS A 32 3. 250 14. 902 3 .792 1 .00 0. 00 H ATOMO 430 2HB HIS A 32 4. 183 13. 587 3 .088 1 .00 .0. 00 H ATOMO 431 HD1 HIS A 32 6. .230 15. 228 1 .473 1 .00 0. 00 H ATOMO 432 HD2 HIS A 32 5. 119 16. 070 5 .387 1 .00 0. 00 H ATOMO 433 HE1 HIS A 32 8. 141 16. 542 2 .446 1 .00 0, 00 H ATOMO 434 HE2 HIS A 32 7. 410 17. 112 4 .789 1 .00 0. 00 H ATOMO 435 N THR A 33 4. 267 13. 2.14 0 .231 1 .00 0. 00 N ATOMO 436 CA THR A 33 4. ,209 12. 001 -0 .577 1 .00 0. 00 c ATOMO 437 C THR A 33 3. 948 10. 778 0 .294 1 .00 0. 00 c ATOMO 438 O THR A 33 4. ,559 10. 608 1 .349 1 .00 0. 00 o ATOMO 439 CB THR A 33 5. ,506 11. 812 -1 .361 1 .00 0. 00 c ATOMO 440 OGl THR A 33 5. ,795 12. 960 -2 .140 1 .00 0. 00 o ATOMO 441 CG2 THR A 33 5. ,468 10. 620 -2 .294 1 .00 0. 00 c ATOMO 442 H THR A 33 5. ,120 13. 687 0 .325 1 .00 0. 00 H ATOMO 443 HA THR A 33 3. 392 12. 111 -1 .274 1 .00 0. 00 H ATOMO 444 HB THR A 33 6. 319 11. 662 -0 .665 1 .00 0. 00 H ATOMO 445 HG1 THR A 33 6. 634 13. 335 -1 .861 1 .00 0. 00 H ATOMO 446 1HG2 THR A 33 6. ,471 10. 375 -2 .609 1 .00 0. 00 H ATOMO 447 2HG2 THR A 33 4. 866 10. 859 -3 .158 1 .00 0. 00 H ATOMO 448 3HG2 THR A 33 5. 036 9. 774 -1 .778 1 .00 0. 00 H ATOMO 449 N VAL A 34 3. 037 9. 926 -0 .163 1 .00 0. 00 N ATOMO 450 CA VAL A 34 2. 690 8. 713 0 .562 1 .00 0. 00 c ATOMO 451 C VAL A 34 2. 537 7. 539 -0 .395 1 .00 0. 00 c ATOMO 452 O VAL A 34 2. 614 7. 704 -1 .610 1 .00 0. 00 0 ATOMO 453 CB VAL A 34 1. 382 8. 887 1 .357 1 .00 0. 00 c ATOMO 454 CGl VAL A 34 1. 606 9. 788 2 .562 1 .00 0. 00 c ATOMO 455 CG2 VAL A 34 0. 284 9. 444 0 .463 1 .00 0. 00 c ATOMO 456 H VAL A 34 2. 589 10. 118 -1 .012 1 .00 0. 00 H ATOMO 457 HA VAL A 34 3. 485 8. 492 1 .258 1 .00 0. 00 H ATOMO 458 HB VAL A 34 1. 068 . 7. 918 1 .714 1 .00 0. 00 H ATOMO 459 1HG1 VAL A 34 2. 627 9. 689 2 .900 1 .00 0. 00 H ATOMO 460 2HG1 VAL A 34 0. 934 9. 500 3 .356 1 .00 0. 00 H ATOMO 461 3HG1 VAL A 34 1. 417 10. 814 2 .284 1 .00 0. 00 H ATOMO 462 1HG2 VAL A 34 0. 597 10. 396 0 .059 1 .00 0. 00 H ATOMO 463 2HG2 VAL A 34 -0. 618 9. 577 1 .042 1 .00 0. 00 H ATOMO 464 3HG2 VAL A 34 0. 095 8. 754 -0 .346 1 .00 0. 00 H ATOMO 465 N TYR A 35 2. 321 6. 356 0 .161 1 .00 0. 00 N ATOMO 466 CA TYR A 35 2. 155 5. 152 -0 .645 1 .00 0. 00 c ATOMO 467 C TYR A 35 0. 846 4. 450 -0 .300 1 .00 0. 00 c ATOMO 468 O TYR A 35 0. 590 4. 134 0 .862 1 .00 0. 00 0 ATOMO 469 CB TYR A 35 3. 335 4. 204 -0 .429 1 .00 0. 00 c ATOMO 470 CG TYR A 35 4. 680 4. 839 -0. .699 1 .00 0. 00 c ATOMO 471 CDl TYR A 35 5. 059 5. 186 -1 .991 1 .00 0. 00 c ATOMO 472 CD2 TYR A 35 5. 572 5. 090 0. .336 1 .00 0. 00 c ATOMO 473 CEl TYR A 35 6. 289 5. 765 -2 .242 1 .00 0. 00 c ATOMO 474 CE2 TYR A 35 6.804 5.669 0.092 1.00 0.00 C ATOMO 475 CZ TYR A 35 7 .157 6 .004 -1 .198 1 .00 0. 00 C ATOMO 476 OH TYR A 35 8 .382 6 .580 -1 .444 1 .00 0. 00 0 ATOMO 477 H TYR A 35 2 .271 6 .290 1 .137 1 .00 0. 00 H ATOMO 478 HA TYR A 35 2 .128 5 .447 -1 .684 1 .00 0. 00 H ATOMO 479 1HB TYR A 35 3 .329 3 .861 0 .594 1 .00 0. 00 H ATOMO 480 2HB TYR A 35 3 .230 3 .358 -1 .088 1 .00 0. 00 H ATOMO 481 HDl TYR A 35 4 .377 4 .998 -2 .806 1 .00 0. 00 H ATOMO 482 HD2 TYR A 35 5 .293 4 .826 1 .345 1 .00 0. 00 H ATOMO 483 HEl TYR A 35 6 .564 6 .027 -3 .252 1 .00 0. 00 H ATOMO 484 HE2 TYR A 35 7 .484 5 .856 0 .910 1 .00 0. 00 H ATOMO 485 HH TYR A 35 8 .834 6 .087 -2 .133 1 .00 0. 00 H ATOMO 486 N TYR A 36 0 .013 4 .214 -1 .312 1 .00 0. 00 N ATOMO 487 CA TYR A 36 -1 .274 3 .556 -1 .098 1 .00 0. 00 c ATOMO 488 C TYR A 36 -1 .445 2 .347 -2 .012 1 .00 0. 00 c ATOMO 489 0 TYR A 36 -0 .689 2 .158 -2 .966 1 .00 0. .00 0 ATOMO 490 CB TYR A 36 -2 .417 4 .548 -1 .328 1 .00 0. 00 c ATOMO 491 CG TYR A 36 -2 .867 5 .256 -0 .070 1 .00 0. 00 c ATOMO 492 CD1 TYR A 36 -2 .003 6 .091 0 .628 1 .00 0, 00 c ATOMO 493 CD2 TYR A 36 -4 .156 5 .089 0 .421 1 .00 0. 00 c ATOMO 494 CEl TYR A 36 -2 .410 6 .738 1 .778 1 .00 0. 00 c ATOMO 495 CE2 TYR A 36 -4 .571 5 .734 1 .570 1 .00 0. 00 c ATOMO. 496 CZ TYR A 36 -3 .695 6 .557 2 .245 1 .00. 0. 0.0 c ATOMO 497 OH TYR A 36 -4 .105 7 .201 3 .390 .1 .00 0. 00 0 ATOMO 498 H TYR A 36 0 .265 4 .494 -2 .217 1 .00 ó. 00 H ATOMO 499 HA TYR A 36 -1 .307 3 .220 -0 .076 1 .00 0. 00 H ATOMO 500 1HB TYR A 36 -2 .096 5 .301 -2 .033 1 .00 0. 00 H ATOMO 501 2HB TYR A 36 -3 .267 4 .021 -1 .735 1 .00 0. 00 H ATOMO 502 HDl TYR A 36 -0 .997 6 .231 0 .260 1 .00 0. 00 H ATOMO 503 HD2 TYR A 36 -4 .839 4 .444 -0 .110 1 .00 0. 00 H ATOMO 504 HEl TYR A 36 -1 .724 7 .384 2 .307 1 .00 0. 00 H ATOMO 505 HE2 TYR A 36 -5 .578 5 .592 1 .935 1 .00 0. 00 H ATOMO 506 HH TYR A 36 -4 .188 8 .142 3 .216 1 .00 0. 00 H ATOMO 507 N CYS A 37 -2 .447 1 .530 -1 .703 1 .00 0. 00 N ATOMO 508 CA CYS A 37 -2 .732 0 .327 -2 .484 1 .00 0. 00 c ATOMO 509 C CYS A 37 -3 .895 0 .564 -3 .439 1 .00 0. 00 c ATOMO 510 0 CYS A 37 -4 .921 1 .128 -3 .059 1 .00 0. 00 0 ATOMO 511 CB CYS A 37 -3 .060 -0 .847 -1 .555 1 .00 0. 00 c ATOMO 512 SG CYS A 37 -1 .592 -1 .645 -0 .832 1 .00 0. 00 s ATOMO 513 H CYS A 37 -3 .004 1 .738 -0 .923 1 .00 0. 00 H ATOMO 514 HA CYS A 37 -1 .852 0 .083 -3 .061 1 .00 0. 00 H ATOMO 515 1HB CYS A 37 -3 .682 -0 .498 -0 .744 1 .00 0. 00 H ATOMO 516 2HB CYS A 37 -3 .598 -1 .598 -2 .109 1 .00 0. 00 H ATOMO 517 N ARG A 38 -3 .723 0 .137 -4 .686 1 .00 0. 00 N ATOMO 518 CA ARG A 38 -4 .751 0 .306 -5 .702 1 .00 0. 00 c ATOMO 519 C ARG A 38 - .997 -0 .999 -6 .448 1 .00 0. 00 c ATOMO 520 0 ARG A 38 -4 .063 -1 .638 -6 .932 1 .00 0. 00 0 ATOMO 521 CB ARG A 38 -4 .344 1 .402 -6 .688 1 .00 0. 00 c ATOMO 522 CG ARG A 38 -4 .162 2 .763 -6 .040 1 .00 0. 00 c ATOMO 523 CD ARG A 38 -5 .496 3 .459 -5 .826 1 .00 0. 00 c ATOMO 524 NE ARG A 38 -5 .400 4 .901 -6 .043 1 .00 0. 00 N ATOMO 525 CZ ARG A 38 -6 .412 5 .752 -5 .872 1 .00 0. 00 c ATOMO 526 NHl ARG A 38 -7 .604 5 .316 -5 .477 1 .00 0. 00 N ATOMO 527 NH2 ARG A 38 -6 .231 7 .047 -6 .096 1 .00 0. 00 N ATOMO 528 H ARG A 38 -2 .881 -0 .301 -4 .929 1 .00 0. 00 H ATOMO 529 HA ARG A 38 -5 .662 0 .600 -5 .206 1 .00 0. 00 H ATOMO 530 1HB ARG A 38 -3 .412 1 .122 -7 .156 1 .00 0. 00 H ATOMO 531 2HB ARG A 38 -5.107 1.488 -7.448 1.00 0.00 H ATOMO 532 1HG ARG A 38 -3. 676 2.635 -5.084 1 .00 0.00 H ATOMO 533 2HG ARG A 38 -3. 544 3.377 -6.680 1 .00 0.00 H ATOMO 534 1HD ARG A 38 -6. 216 3.048 -6.517 1 .00 o . do H ATOMO 535 2HD ARG A 38 -5. 824 3.277 -4.813 1 .00 0.00 H ATOMO 536 HE ARG A 38 -4. 534 5.257 -6.333 1 .00 0.00 H ATOMO 537 1HH1 ARG A 38 -7. 751 4.342 -5.305 1 .00 0.00 H ATOMO 538 2HH1 ARG A 38 -8. 356 5.963 -5.352 1 .00 0.00 H ATOMO 539 1HH2 ARG A 38 -5. 338 7.382 -6.393 1 .00 0.00 H ATOMO 540 2HH2 ARG A 38 -6. 989 7.6B7 -5.968 1 .00 0.00 H ATOMO 541 N ALA A 39 -6. 261 -1.386 -6.534 1 .00 0.00 N ATOMO 542 CA ALA A 39 -6. 640 -2.616 -7.219 1 .00 0.00 C ATOMO 543 C ALA A 39 -6. 479 -2.474 -8.730 1 .00 0.00 c ATOMO 544 0 ALA A 39 -5. 991 -3.432 -9.364 1 .00 0.00 0 ATOMO 545 CB ALA A 39 -8. 072 -2.994 -6.872 1 .00 0.00 c ATOMO 546 OXT ALA A 39 -6. 844 -1.406 -9.265 1 .00 0.00 0 ATOMO 547 H ALA A 39 -6. 957 -0.831 -6.126 1 .00 0.00 H ATOMO 548 HA ALA A 39 -5. 988 -3.404 -6.871 1 .00 0.00 H ATOMO 549 1HB ALA A 39 -8. 363 -3.863 -7.443 1 .00 0.00 H ATOMO 550 2HB ALA A 39 -8. 730 -2.172 -7.109 1 .00 0.00 H ATOMO 551 3HB ALA A 39 -8. 139 -3.218 -5.818 1 .00 0.00 H TE 552 ALA A 39 ENDMDL CONECT 26 234 CONECT 125 292 CONECT 224 512 CONECT 234 26 CONECT 292 125 CONECT 512 224 MASTER 153 0 0 0 2 0 613775 25 6 3 FIN Se hace constar que con relación a esta fecha, el mejor método conocido por la solicitante para llevar a la práctica la citada invención, es el que resulta claro de la presente descripción de la invención.

Claims (22)

1. REIVINDICACIONES Habiéndose descrito la invención como antecede, se reclama como propiedad lo contenido en las siguientes reivindicaciones . 1. Un método para identificar una molécula candidato que imita al menos una porción de una estructura tridimensional de una toxina de insecticida U-ACTX, caracterizado porque comprende : proporcionar un modelo molecular hecho de las coordenadas atómicas para la toxina rU-ACTX-Hvla insecticida como en la Tabla 3 ; usar el modelo molecular para identificar una molécula candidato que imita la estructura del modelo molecular rU-ACTX-Hvla; y proporcionar la molécula candidato que se identifica.
2. 2. El método de conformidad con la reivindicación 1, caracterizado porque además comprende identificar los residuos farmacofóricos Q8, P9, N28, y V34 en el modelo molecular mientras se usa el modelo molecular.
3. 3. El método de conformidad con la reivindicación 1, caracterizado porque proporcionar comprende sintetizar la molécula candidato u obtener la molécula candidato de una colección.
4. 4. El método de conformidad con la reivindicación 1, caracterizado porque además comprende probar la molécula candidato en un ensayo funcional.
5. 5. El método de conformidad con la reivindicación 4, caracterizado porque el ensayo funcional comprende hacer la prueba de mortalidad a insectos, inhibición de canales de calcio de insecto, inhibición de canales de potasio activados con calcio de insecto, enlace a canales de calcio de insecto, enlace a canales de potasio activados con calcio de insecto, o una combinación de uno o más de los ensayos funcionales anteriores .
6. 6. El método de conformidad con la reivindicación 4, caracterizado porque además comprende usar el modelo molecular para identificar una molécula candidato modificada para identificar y producir una molécula candidato modificada que tiene una alta mortalidad a insectos, aumento en inhibición de canales de calcio de insecto, aumento en inhibición de canales de potasio activados con calcio de insecto, aumento en enlace a canales de calcio de insecto, aumento en enlace a canales de potasio activados con calcio de insecto, o un aumento de una o más de las funcionalidades anteriores relativas a la molécula candidato.
7. 7. El método de conformidad con la reivindicación 6, caracterizado porque el ensayo funcional mide la inhibición de corrientes de canal Cav en neuronas DU de P. americana , inhibición de un canal pSlo de cucaracha, o una combinación que comprende uno o más de los ensayos anteriores.
8. 8. Un método para seleccionar una molécula candidato que imita al menos una porción de una estructura tridimensional de rU-ACTX-Hvla, caracterizado porque comprende: proporcionar una computadora que tenga medios de memoria, medios de entrada de datos, y medios de exhibición visual, los medios de memoria contienen software de simulación molecular tridimensional que operan para recuperar datos de coordenadas desde los medios de memoria y para exhibir una representación tridimensional de rU-ACTX-Hvla en los medios de exhibición visual; ingresar datos de coordenadas tridimensionales de átomos de rU-ACTX-Hvl a partir de la Tabla 3 en la computadora y almacenar los datos en los medios de memoria; exhibir la representación tridimensional de la molécula candidato en los medios de exhibición visual; comparar la estructura tridimensional de rU-ACTX-Hvla y la molécula candidato; y proporcionar la molécula candidato.
9. 9. El método de conformidad con la reivindicación 8, caracterizado porque además comprende identificar los residuos farmacofóricos Q8, P9, N8 , y V34 en el modelo molecular mientras se usa el modelo molecular.
10. 10. El método de conformidad con la reivindicación 8, caracterizado porque proporcionar comprende sintetizar la molécula candidato u obtener la molécula candidato de una colección.
11. 11. El método de conformidad con la reivindicación 8, caracterizado porque además comprende probar la molécula candidato en un ensayo funcional.
12. 12. El método de conformidad con la reivindicación 11, caracterizado porque el ensayo funcional comprende hacer la prueba de mortalidad a insectos, inhibición de canales de calcio de insecto, inhibición de canales de potasio activados con calcio de insecto, enlace a canales de calcio de insecto, enlace a canales de potasio activados con calcio de insecto, o una combinación de uno o más de los ensayos funcionales anteriores .
13. 13. El método de conformidad con la reivindicación 11, caracterizado porque además comprende usar el modelo molecular para identificar una molécula candidato modificada para identificar y producir una molécula candidato modificada que tiene una alta mortalidad a insectos, aumento de inhibición de canales de calcio de insecto, aumento de inhibición de canales de potasio activados con calcio de insecto, aumento de enlace a canales de calcio de insecto, aumento de enlace a canales de potasio activados con calcio de insecto, o un aumento de una o más de las funcionalidades anteriores relativa a la molécula candidato.
14. 14. El método de conformidad con la reivindicación 13, caracterizado porque el ensayo funcional mide la inhibición de corrientes de canal Cav en neuronas DUM a partir de P. americana, inhibición del canal pSlo de cucaracha, o una combinación que comprende uno o más de los ensayos anteriores .
15. 15. Un método para identificar una molécula que imita al menos una porción de una estructura tridimensional de una toxina de insecticida U-ACTX, caracterizado porque comprende: generar un modelo tridimensional del polipéptido U-ACTX, identificar residuos farmacofóricos Q8, P9, N28, y V34 en el modelo tridimensional, y realizar un análisis en computadora para identificar una molécula candidato que imita los residuos farmacofóricos del polipéptido U-ACTX.
16. 16. El método de conformidad con la reivindicación 15, caracterizado porque además comprende, antes de generar un modelo tridimensional, obtener un polipéptido U-ACTX purificado, y obtener coordenadas atómicas para el polipéptido U-ACTX.
17. 17. El método de conformidad con la reivindicación 15, caracterizado porque la toxina de insecticida U-ACTX comprende una secuencia de aminoácido que es mayor que o igual a alrededor de 70% idéntico a SEQ ID NO: 1, en donde el polipéptido tiene actividad de insecticida.
18. 18. El método de conformidad con la reivindicación 15, caracterizado porque la toxina de insecticida U-ACTX comprende una secuencia de aminoácidos que es mayor que o igual a alrededor de 85% idéntica a SEQ ID NO : 1 , en donde el polipéptido tiene actividad insecticida.
19. 19. El método de conformidad con la reivindicación 15, caracterizado porque la toxina de insecticida U-ACTX comprende una secuencia de aminoácidos que es mayor que o igual a alrededor de 90% idéntica a SEQ ID NO: 1, en donde el polipéptido tiene actividad insecticida.
20. 20. El método de conformidad con la reivindicación 15, caracterizado porque además comprende: probar la molécula candidato en un ensayo funcional por mortalidad a insectos, inhibición de canales de calcio de insecto, inhibición de canales de potasio activados con calcio de insecto, enlace a canales de calcio de insecto, enlace a canales de potasio activados con calcio de insecto^ o una combinación de uno o más de los ensayos funcionales anteriores .
21. 21. El método de conformidad con la reivindicación 20, caracterizado porque además comprende usar el modelo molecular para identificar una molécula candidato modificada para identificar y producir una molécula candidato modificada que tiene una alta mortalidad a insectos, aumento de inhibición de canales de calcio de insecto, aumento de inhibición de canales de potasio activados con calcio de insecto, aumento de enlace a canales de calcio de insecto, aumento de enlace a canales de potasio activados con calcio de insecto, o un aumento de uno o más de las funcionalidades anteriores relativas a la molécula candidato.
22. 22. El método de conformidad con la reivindicación 21, caracterizado porque el ensayo funcional mide inhibición de corrientes de canal Cav en neuronas DUM a partir de P. americana , inhibición del canal pSlo de cucaracha, o una combinación que comprende uno o más de los ensayos anteriores.