From 44bdb29c0917dfe5e403ca3fb4de5c3d8505034b Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Sat, 14 Sep 2024 13:49:15 +0200 Subject: [PATCH 01/16] Add `mini3di` classes and tests as `biotite.structure.alphabet` --- src/biotite/structure/alphabet/__init__.py | 13 + src/biotite/structure/alphabet/_unkerasify.py | 106 + src/biotite/structure/alphabet/encoder.py | 442 + .../alphabet/encoder_weights_3di.kerasify | Bin 0 -> 1032 bytes src/biotite/structure/alphabet/layers.py | 72 + src/biotite/structure/alphabet/utils.py | 57 + tests/structure/data/1xso.pdb | 3114 ++++++ tests/structure/data/3bww.pdb | 2898 +++++ tests/structure/data/8crb.pdb | 9696 +++++++++++++++++ tests/structure/data/ids.txt | 3 + tests/structure/test_3di.py | 163 + 11 files changed, 16564 insertions(+) create mode 100644 src/biotite/structure/alphabet/__init__.py create mode 100644 src/biotite/structure/alphabet/_unkerasify.py create mode 100644 src/biotite/structure/alphabet/encoder.py create mode 100644 src/biotite/structure/alphabet/encoder_weights_3di.kerasify create mode 100644 src/biotite/structure/alphabet/layers.py create mode 100644 src/biotite/structure/alphabet/utils.py create mode 100644 tests/structure/data/1xso.pdb create mode 100644 tests/structure/data/3bww.pdb create mode 100644 tests/structure/data/8crb.pdb create mode 100644 tests/structure/test_3di.py diff --git a/src/biotite/structure/alphabet/__init__.py b/src/biotite/structure/alphabet/__init__.py new file mode 100644 index 000000000..86278d186 --- /dev/null +++ b/src/biotite/structure/alphabet/__init__.py @@ -0,0 +1,13 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +NumPy port of the ``foldseek`` code for encoding structures to 3di. +""" + +__all__ = ["Encoder", "FeatureEncoder", "PartnerIndexEncoder", "VirtualCenterEncoder"] +__author__ = "Martin Larralde " +__name__ = "biotite.structure.alphabet" + +from .encoder import Encoder, FeatureEncoder, PartnerIndexEncoder, VirtualCenterEncoder diff --git a/src/biotite/structure/alphabet/_unkerasify.py b/src/biotite/structure/alphabet/_unkerasify.py new file mode 100644 index 000000000..59c46733c --- /dev/null +++ b/src/biotite/structure/alphabet/_unkerasify.py @@ -0,0 +1,106 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +Parser for extracting weights from Keras files. + +Adapted from `moof2k/kerasify `_. + +""" +from __future__ import annotations + +import enum +import itertools +import struct +import typing +from typing import BinaryIO, Iterable, List + +import numpy + +from .layers import Layer, DenseLayer + + +class LayerType(enum.IntEnum): + DENSE = 1 + CONVOLUTION2D = 2 + FLATTEN = 3 + ELU = 4 + ACTIVATION = 5 + MAXPOOLING2D = 6 + LSTM = 7 + EMBEDDING = 8 + + +class ActivationType(enum.IntEnum): + LINEAR = 1 + RELU = 2 + SOFTPLUS = 3 + SIGMOID = 4 + TANH = 5 + HARD_SIGMOID = 6 + + +class KerasifyParser: + """An incomplete parser for model files serialized with `kerasify`. + + Note: + Only dense layers are supported, since the ``foldseek`` VQ-VAE model + is only using 3 dense layers. + + """ + + def __init__(self, file: typing.BinaryIO) -> None: + self.file = file + self.buffer = bytearray(1024) + (self.n_layers,) = self._get("I") + + def __iter__(self) -> KerasifyParser: + return self + + def __next__(self) -> Layer: + layer = self.read() + if layer is None: + raise StopIteration + return layer + + def _read(self, format: str) -> memoryview: + n = struct.calcsize(format) + if len(self.buffer) < n: + self.buffer.extend( + itertools.islice(itertools.repeat(0), n - len(self.buffer)) + ) + v = memoryview(self.buffer)[:n] + self.file.readinto(v) # type: ignore + return v + + def _get(self, format: str) -> typing.Tuple[typing.Any, ...]: + v = self._read(format) + return struct.unpack(format, v) + + def read(self) -> typing.Optional[Layer]: + if self.n_layers == 0: + return None + + self.n_layers -= 1 + layer_type = LayerType(self._get("I")[0]) + if layer_type == LayerType.DENSE: + (w0,) = self._get("I") + (w1,) = self._get("I") + (b0,) = self._get("I") + weights = ( + numpy.frombuffer(self._read(f"={w0*w1}f"), dtype="f4") + .reshape(w0, w1) + .copy() + ) + biases = numpy.frombuffer(self._read(f"={b0}f"), dtype="f4").copy() + activation = ActivationType(self._get("I")[0]) + if activation not in (ActivationType.LINEAR, ActivationType.RELU): + raise NotImplementedError(f"Unsupported activation type: {activation!r}") + return DenseLayer(weights, biases, activation==ActivationType.RELU) + else: + raise NotImplementedError(f"Unsupported layer type: {layer_type!r}") + + +def load(fh: BinaryIO) -> List[Layer]: + return list(KerasifyParser(fh)) \ No newline at end of file diff --git a/src/biotite/structure/alphabet/encoder.py b/src/biotite/structure/alphabet/encoder.py new file mode 100644 index 000000000..cc3936b40 --- /dev/null +++ b/src/biotite/structure/alphabet/encoder.py @@ -0,0 +1,442 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +from __future__ import annotations + +import abc +import enum +import functools +import struct +import typing + +import numpy +import numpy.ma + +from . import _unkerasify +from .layers import Layer, CentroidLayer, Model +from .utils import normalize, last + +try: + from importlib.resources import files as resource_files +except ImportError: + from importlib_resources import files as resource_files + +T = typing.TypeVar("T") +if typing.TYPE_CHECKING: + from Bio.PDB import Chain + from .utils import ArrayN, ArrayNx2, ArrayNx3, ArrayNx10, ArrayNxM + + try: + from typing import Literal + except ImportError: + from typing_extensions import Literal + + +DISTANCE_ALPHA_BETA = 1.5336 +ALPHABET = numpy.array(list("ACDEFGHIKLMNPQRSTVWYX")) + + +class _BaseEncoder(abc.ABC, typing.Generic[T]): + @abc.abstractmethod + def encode_atoms( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> T: + """Encode the given atom coordinates to a different representation. + + Arguments: + ca (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of + the *Cα* atom for each residue. + cb (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of + the *Cβ* atom for each residue. + n (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of + the *N* atom for each residue. + c (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of + the *C* atom for each residue. + + """ + raise NotImplementedError + + def encode_chain( + self, + chain: Chain, + ca_residue: bool = True, + disordered_atom: Literal["best", "last"] = "best", + ) -> T: + """Encode the given chain to a different representation. + + Arguments: + chain (`Bio.PDB.Chain`): A single chain object parsed from a + PDB structure. + ca_residue (`bool`, *optional*): Only extract coordinates of + residues which have a *CA* atom. Set to `False` to use every + residue returned by the `~Bio.PDB.Chain.Chain.get_residues` + method. + disordered_atom (`str`): How to handle disordered atoms in the + source chain. The default (`"best"`) will retain the atom + with the best occupancy. Setting this to `"last"` will + use the last atom instead, in order to produce the same + results as Foldseek. + + .. versionadded:: 0.2.0 + The ``disordered_atom`` argument. + + """ + # extract residues + if ca_residue: + residues = [residue for residue in chain.get_residues() if "CA" in residue] + else: + residues = list(chain.get_residues()) + # extract atom coordinates + r = len(residues) + ca = numpy.array(numpy.nan, dtype=numpy.float32).repeat(3 * r).reshape(r, 3) + cb = ca.copy() + n = ca.copy() + c = ca.copy() + for i, residue in enumerate(residues): + for atom in residue.get_atoms(): + if atom.is_disordered() and disordered_atom == "last": + atom = last(atom) + if atom.get_name() == "CA": + ca[i, :] = atom.coord + elif atom.get_name() == "N": + n[i, :] = atom.coord + elif atom.get_name() == "C": + c[i, :] = atom.coord + elif atom.get_name() == "CB" or atom.get_name() == "CB A": + cb[i, :] = atom.coord + # encode coordinates + return self.encode_atoms(ca, cb, n, c) + + +class VirtualCenterEncoder(_BaseEncoder["ArrayNx3[numpy.float32]"]): + """An encoder for converting a protein structure to a virtual center. + + For each residue, the coordinates of the virtual center are computed + from the coordinates of the *Cα*, *Cβ* and *N* atoms. The virtual center + *V* is defined by the angle θ (V-Cα-Cβ), the dihedral angle τ + (V-Cα-Cβ-N) and the length l (∣V − Cα∣). The default parameters used + in ``foldseek`` were selected after optimization on a validation set. + + """ + + def __init__( + self, + *, + distance_alpha_beta = DISTANCE_ALPHA_BETA, + distance_alpha_v: float = 2.0, + theta: float = 270.0, + tau: float = 0.0, + ) -> None: + """Create a new encoder. + + Arguments: + distance_alpha_beta (`float`): The default distance between the + *Cα* and *Cβ* atoms to use when reconstructing missing *Cβ* + coordinates. + distance_alpha_v (`float`): The distance between the virtual + center *V* and the *Cα* atom, used to compute the virtual + center coordinates. + theta (`float`): The angle θ between the virtual center V, the + *Cα* and *Cβ* atoms, used to compute the virtual center + coordinates. + tau (`float`): The dihedral angle τ between the virtual center V, + and the *Cα*, *Cβ* and *N* atoms, used to compute the virtual + center coordinates. + + """ + self.theta = theta + self.tau = tau + self.distance_alpha_v = distance_alpha_v + self.distance_alpha_beta = distance_alpha_beta + + @property + def theta(self) -> float: + return numpy.rad2deg(self._theta) + + @theta.setter + def theta(self, theta: float) -> None: + self._theta = numpy.deg2rad(theta) + self._cos_theta = numpy.cos(self._theta) + self._sin_theta = numpy.sin(self._theta) + + @property + def tau(self) -> float: + return numpy.rad2deg(self._tau) + + @tau.setter + def tau(self, tau: float) -> None: + self._tau = numpy.deg2rad(tau) + self._cos_tau = numpy.cos(self._tau) + self._sin_tau = numpy.sin(self._tau) + + def _compute_virtual_center( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + ) -> ArrayNx3[numpy.floating]: + assert ca.shape == n.shape + assert ca.shape == cb.shape + v = cb - ca + a = cb - ca + b = n - ca + # normal angle + k = normalize(numpy.cross(a, b, axis=-1), inplace=True) + v = ( + v * self._cos_theta + + numpy.cross(k, v) * self._sin_theta + + k * (k * v).sum(axis=-1).reshape(-1, 1) * (1 - self._cos_theta) + ) + # dihedral angle + k = normalize(n - ca, inplace=True) + v = ( + v * self._cos_tau + + numpy.cross(k, v) * self._sin_tau + + k * (k * v).sum(axis=-1).reshape(-1, 1) * (1 - self._cos_tau) + ) + # apply final vector to Cα + v *= self.distance_alpha_v + v += ca + return v + + def _approximate_cb_position( + self, + ca: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayNx3[numpy.floating]: + """Approximate the position of the Cβ from the backbone atoms.""" + assert ca.shape == n.shape + assert ca.shape == c.shape + v1 = normalize(c - ca, inplace=True) + v2 = normalize(n - ca, inplace=True) + v3 = v1 / 3.0 + + b1 = numpy.add(v2, v3, out=v2) + b2 = numpy.cross(v1, b1, axis=-1) + u1 = normalize(b1, inplace=True) + u2 = normalize(b2, inplace=True) + + out = (numpy.sqrt(8) / 3.0) * ((-u1 / 2.0) - (u2 * numpy.sqrt(3) / 2.0)) - v3 + out *= self.distance_alpha_beta + out += ca + return out + + def _create_nan_mask( + self, + ca: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayNx3[numpy.bool_]: + """Mask any column which contains at least one NaN value. + """ + mask_ca = numpy.isnan(ca).max(axis=1) + mask_n = numpy.isnan(n).max(axis=1) + mask_c = numpy.isnan(n).max(axis=1) + return (mask_ca | mask_n | mask_c).repeat(3).reshape(-1, 3) + + def encode_atoms( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayNx3[numpy.float32]: + ca = numpy.asarray(ca) + cb = numpy.asarray(cb) + n = numpy.asarray(n) + c = numpy.asarray(c) + + assert ca.shape == cb.shape + assert ca.shape == c.shape + assert ca.shape == n.shape + + # fix CB positions if needed + nan_indices = numpy.isnan(cb) + if numpy.any(nan_indices): + cb_approx = self._approximate_cb_position(ca, n, c) + # avoid writing to CB directly since it should be callee-save + cb_approx[~nan_indices] = cb[~nan_indices] + cb = cb_approx + # compute virtual center + vc = self._compute_virtual_center(ca, cb, n) + # mask residues without coordinates + return numpy.ma.masked_array( # type: ignore + vc, + mask=self._create_nan_mask(ca, n, c), + fill_value=numpy.nan, + ) + + +class PartnerIndexEncoder(_BaseEncoder["ArrayN[numpy.int64]"]): + """An encoder for converting a protein structure to partner indices. + + For each residue, the coordinates of the virtual center are computed + from the coordinates of the *Cα*, *Cβ* and *N* atoms. A pairwise + distance matrix is then created, and the index of the closest partner + residue is extracted for each position. + + """ + + def __init__(self) -> None: + self.vc_encoder = VirtualCenterEncoder() + + def _find_residue_partners( + self, + x: ArrayNx3[numpy.floating], + ) -> ArrayN[numpy.int64]: + # compute pairwise squared distance matrix + r = numpy.sum(x * x, axis=-1).reshape(-1, 1) + r[0] = r[-1] = numpy.nan + D = r - 2 * numpy.ma.dot(x, x.T) + r.T + # avoid selecting residue itself as the best + D[numpy.diag_indices_from(D)] = numpy.inf + # get the closest non-masked residue + return numpy.nan_to_num(D, copy=False, nan=numpy.inf).argmin(axis=1) + + def encode_atoms( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayN[numpy.int64]: + # encode backbone atoms to virtual center + vc = self.vc_encoder.encode_atoms(ca, cb, n, c) + # find closest neighbor for each residue + return self._find_residue_partners(vc) + + +class FeatureEncoder(_BaseEncoder["ArrayN[numpy.float32]"]): + """An encoder for converting a protein structure to structural descriptors. + """ + + def __init__(self) -> None: + self.partner_index_encoder = PartnerIndexEncoder() + self.vc_encoder = self.partner_index_encoder.vc_encoder + + def _calc_conformation_descriptors( + self, + ca: ArrayNx3[numpy.floating], + partner_index: ArrayN[numpy.int64], + dtype: typing.Type[numpy.floating] = numpy.float32, + ) -> ArrayNx10[numpy.floating]: + # build arrays of indices to use for vectorized angles + n = ca.shape[0] + I = numpy.arange(1, ca.shape[-2] - 1) + J = partner_index[I] + # compute conformational descriptors + u1 = normalize(ca[..., I, :] - ca[..., I - 1, :], inplace=True) + u2 = normalize(ca[..., I + 1, :] - ca[..., I, :], inplace=True) + u3 = normalize(ca[..., J, :] - ca[..., J - 1, :], inplace=True) + u4 = normalize(ca[..., J + 1, :] - ca[..., J, :], inplace=True) + u5 = normalize(ca[..., J, :] - ca[..., I, :], inplace=True) + desc = numpy.zeros((ca.shape[0], 10), dtype=dtype) + desc[I, 0] = numpy.sum(u1 * u2, axis=-1) + desc[I, 1] = numpy.sum(u3 * u4, axis=-1) + desc[I, 2] = numpy.sum(u1 * u5, axis=-1) + desc[I, 3] = numpy.sum(u3 * u5, axis=-1) + desc[I, 4] = numpy.sum(u1 * u4, axis=-1) + desc[I, 5] = numpy.sum(u2 * u3, axis=-1) + desc[I, 6] = numpy.sum(u1 * u3, axis=-1) + desc[I, 7] = numpy.linalg.norm(ca[I] - ca[J], axis=-1) + desc[I, 8] = numpy.clip(J - I, -4, 4) + desc[I, 9] = numpy.copysign(numpy.log(numpy.abs(J - I) + 1), J - I) + return desc + + def _create_descriptor_mask( + self, + mask: ArrayN[numpy.bool_], + partner_index: ArrayN[numpy.int64], + ) -> ArrayNx10[numpy.bool_]: + I = numpy.arange(1, mask.shape[0] - 1) + J = partner_index[I] + out = numpy.zeros((mask.shape[0], 10), dtype=numpy.bool_) + out[1:-1, :] |= ( + mask[I - 1] | mask[I] | mask[I + 1] | mask[J - 1] | mask[J] | mask[J + 1] + ).reshape(mask.shape[0]-2, 1) + out[0] = out[-1] = True + return out + + def encode_atoms( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayN[numpy.uint8]: + # encode backbone atoms to virtual center + vc = self.vc_encoder.encode_atoms(ca, cb, n, c) + # find closest neighbor for each residue + partner_index = self.partner_index_encoder._find_residue_partners(vc) + # build position features from residue angles + descriptors = self._calc_conformation_descriptors(ca, partner_index) + # create mask + mask = self._create_descriptor_mask(vc.mask[:, 0], partner_index) + return numpy.ma.masked_array( # type: ignore + descriptors, + mask=mask, + fill_value=numpy.nan, + ) + + +class Encoder(_BaseEncoder["ArrayN[numpy.uint8]"]): + """An encoder for converting a protein structure to 3di states. + """ + + _INVALID_STATE = 2 + _CENTROIDS: ArrayNx2[numpy.float32] = numpy.array( + [ + [-1.0729, -0.3600], + [-0.1356, -1.8914], + [0.4948, -0.4205], + [-0.9874, 0.8128], + [-1.6621, -0.4259], + [2.1394, 0.0486], + [1.5558, -0.1503], + [2.9179, 1.1437], + [-2.8814, 0.9956], + [-1.1400, -2.0068], + [3.2025, 1.7356], + [1.7769, -1.3037], + [0.6901, -1.2554], + [-1.1061, -1.3397], + [2.1495, -0.8030], + [2.3060, -1.4988], + [2.5522, 0.6046], + [0.7786, -2.1660], + [-2.3030, 0.3813], + [1.0290, 0.8772], + ] + ) + + def __init__(self) -> None: + self.feature_encoder = FeatureEncoder() + with resource_files(__package__).joinpath("encoder_weights_3di.kerasify").open("rb") as f: + layers = _unkerasify.load(f) + layers.append(CentroidLayer(self._CENTROIDS)) + self.vae_encoder = Model(layers) + + def encode_atoms( + self, + ca: ArrayNx3[numpy.floating], + cb: ArrayNx3[numpy.floating], + n: ArrayNx3[numpy.floating], + c: ArrayNx3[numpy.floating], + ) -> ArrayN[numpy.uint8]: + descriptors = self.feature_encoder.encode_atoms(ca, cb, n, c) + states = self.vae_encoder(descriptors.data) + return numpy.ma.masked_array( + states, + mask=descriptors.mask[:, 0], + fill_value=self._INVALID_STATE, + ) + + def build_sequence(self, states: ArrayN[numpy.uint8]) -> str: + return "".join( ALPHABET[states.filled()] ) + diff --git a/src/biotite/structure/alphabet/encoder_weights_3di.kerasify b/src/biotite/structure/alphabet/encoder_weights_3di.kerasify new file mode 100644 index 0000000000000000000000000000000000000000..cfec8fbe4bab054ae025eb8f0c88283f6d970b77 GIT binary patch literal 1032 zcmZwGe=yW}9LMq9uq*6tPHov_xk3506x|`;&wJx^s|<>ntImjVwdsxvCArbm#Q9N# zqGKc7WsaD=h`EdXygz$k)HJT-NBJ?-wMsGEY>uWo=gxoqaeq8!UjIMmWy0g}`2VqZ zk1WHAy_Ub;_VkdCK38YMGI`0w@}Fl!pEXRx9+ZntQs6;y3A1{AP`aSt7Sy|0qdW*N zmu?^ysz13k)o)0m-LJIa=`Iv%0?@2%fwQd96K8c7@h`3>^L#nkVn0QO+I?X5rk0-G zV}~Kv^6-S`6zxmT!}c%pFk5h+e&TI80fe#NRxafX_J9RPMJOCW|Br|UzQa~?vbN(x|v&&j*+cv!szk3oIuUmpYb;v ziBA4;A-7m^27iiIVxk*R$I1fgFy2XB_g%#F%efd<3S>IWg5<|mb6vtltbQrQN6|NE z$;m{b{e3M~yxD`RG~Fb8bvAc6Ae8jRw$QF)I?ivRg_@1-#%D4|{9fHp=PnfJbOQsl zQ!P-gb6=u89k!6`&@jop!t9F2QhB-|1Yyy{| zvrJKmkdol09~ESRb94YRYQJFto1>VbM+6zN82B`{ic}3Fiz=^SS;-%e3!yns+}B11 z63dz4Mgz=Eo3bBsYH9uY?aV9XJMJPYViOH~jBxdY$&ga=Xon4xt4f%(|0XDmT8uuj z5hLBiAoBDl(x6%PN1v8eiG*-?T_Jfpt%1nD#n8ypa<=7xjH%8uk01hN*Y$ADa2h1D z-Du%^4}{}>5F_g$DK8w@hocM+E!9Csc?JlFH?e%*CeXP#>&JJEa( zSKv9QHH^T?Qh$hddd_{7R6~2oUbgYCZ`s`4Enx3D09S-n_$n<6KR;W_0)h*$&^42$ zoG?JV=POJdG$kuL5}A7hUvKB@!77V1=wz*8EoCYe{)IKfH8-O7Jixa0tMtJ`C;gP~ z18T9?MnCdI4S5ZZ;r>#B{!aECnEmV$7;n{(IJ-tjNG*b$=VzEI)Dl`eC2(}I5$*Ff&*ZmZo(b&e}^;PFL0d5m^jS@%$0n0M43ZYz6*vdYfHG2a~qfc F|1WQ1&~pF) literal 0 HcmV?d00001 diff --git a/src/biotite/structure/alphabet/layers.py b/src/biotite/structure/alphabet/layers.py new file mode 100644 index 000000000..21fe124ba --- /dev/null +++ b/src/biotite/structure/alphabet/layers.py @@ -0,0 +1,72 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +Mini implementation of the neural network layers used in ``foldseek``. +""" +from __future__ import annotations + +import abc +import functools +import typing +from typing import Iterable, Optional + +import numpy + +from .utils import relu + +if typing.TYPE_CHECKING: + from .utils import ArrayNxM, ArrayN + + +class Layer(abc.ABC): + @abc.abstractmethod + def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: + raise NotImplementedError + + +class DenseLayer(Layer): + def __init__( + self, + weights: ArrayNxM[numpy.floating], + biases: Optional[ArrayN[numpy.floating]] = None, + activation: bool = True + ): + self.activation = activation + self.weights = numpy.asarray(weights) + if biases is None: + self.biases = numpy.zeros(self.weights.shape[1]) + else: + self.biases = numpy.asarray(biases) + + def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: + _X = numpy.asarray(X) + out = _X @ self.weights + out += self.biases + + if self.activation: + return relu(out, out=out) + else: + return out + + +class CentroidLayer(Layer): + def __init__(self, centroids: ArrayNxM[numpy.floating]) -> None: + self.centroids = numpy.asarray(centroids) + self.r2 = numpy.sum(self.centroids**2, axis=1).reshape(-1, 1).T + def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayN[numpy.uint8]: + # compute pairwise squared distance matrix + r1 = numpy.sum(X**2, axis=1).reshape(-1, 1) + D = r1 - 2 * X @ self.centroids.T + self.r2 + # find closest centroid + states = numpy.empty(D.shape[0], dtype=numpy.uint8) + D.argmin(axis=1, out=states) + return states + + +class Model: + def __init__(self, layers: Iterable[Layer] = ()): + self.layers = list(layers) + def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: + return functools.reduce(lambda x, f: f(x), self.layers, X) diff --git a/src/biotite/structure/alphabet/utils.py b/src/biotite/structure/alphabet/utils.py new file mode 100644 index 000000000..ee2e697a5 --- /dev/null +++ b/src/biotite/structure/alphabet/utils.py @@ -0,0 +1,57 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +from __future__ import annotations + +import typing +from collections import deque + +import numpy + +if typing.TYPE_CHECKING: + from types import ModuleType + from typing import Annotated, Literal, TypeVar + import numpy.typing + + DType = TypeVar("DType", bound=numpy.generic) + ArrayN = Annotated[numpy.typing.NDArray[DType], Literal["N"]] + ArrayNx2 = Annotated[numpy.typing.NDArray[DType], Literal["N", 2]] + ArrayNx3 = Annotated[numpy.typing.NDArray[DType], Literal["N", 3]] + ArrayNx10 = Annotated[numpy.typing.NDArray[DType], Literal["N", 10]] + ArrayNxM = Annotated[numpy.typing.NDArray[DType], Literal["N", "M"]] + + +def normalize(x: numpy.ndarray[numpy.number], *, inplace=False): + norm = numpy.linalg.norm(x, axis=-1).reshape(*x.shape[:-1], 1) + return numpy.divide(x, norm, out=x if inplace else None, where=norm != 0) + + +def relu( + x, + out=None, + *, + where=True, + casting="same_kind", + order="K", + dtype=None, + subok=True, +): + return numpy.maximum( + 0.0, + x, + out=out, + where=where, + casting=casting, + order=order, + dtype=dtype, + subok=subok, + ) + + +def last(it): + """Get the last element of an iterator. + """ + it = iter(it) + dd = deque(it, maxlen=1) + return dd.pop() diff --git a/tests/structure/data/1xso.pdb b/tests/structure/data/1xso.pdb new file mode 100644 index 000000000..54dbb8522 --- /dev/null +++ b/tests/structure/data/1xso.pdb @@ -0,0 +1,3114 @@ +HEADER OXIDOREDUCTASE (SUPEROXIDE ACCEPTOR) 14-MAR-95 1XSO +TITLE THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE +TITLE 2 DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS +TITLE 3 RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: COPPER,ZINC SUPEROXIDE DISMUTASE; +COMPND 3 CHAIN: A, B; +COMPND 4 EC: 1.15.1.1; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; +SOURCE 3 ORGANISM_COMMON: AFRICAN CLAWED FROG; +SOURCE 4 ORGANISM_TAXID: 8355; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PKK233-2 TRC PROMOTER +KEYWDS OXIDOREDUCTASE (SUPEROXIDE ACCEPTOR) +EXPDTA X-RAY DIFFRACTION +AUTHOR K.DJINOVIC CARUGO,A.CODA,A.BATTISTONI,M.T.CARRI,F.POLTICELLI, +AUTHOR 2 A.DESIDERI,G.ROTILIO,K.S.WILSON,M.BOLOGNESI +REVDAT 5 14-AUG-19 1XSO 1 REMARK +REVDAT 4 17-JUL-19 1XSO 1 REMARK +REVDAT 3 24-FEB-09 1XSO 1 VERSN +REVDAT 2 03-MAY-99 1XSO 1 JRNL +REVDAT 1 10-JUL-95 1XSO 0 +JRNL AUTH K.DJINOVIC CARUGO,A.BATTISTONI,M.T.CARRI,F.POLTICELLI, +JRNL AUTH 2 A.DESIDERI,G.ROTILIO,A.CODA,K.S.WILSON,M.BOLOGNESI +JRNL TITL THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN +JRNL TITL 2 SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY +JRNL TITL 3 AT 1.5 A RESOLUTION. +JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 52 176 1996 +JRNL REFN ISSN 0907-4449 +JRNL PMID 15299740 +JRNL DOI 10.1107/S0907444995007608 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH D.BORDO,K.DJINOVIC,K.M.BOLOGNESI +REMARK 1 TITL CONSERVED PATTERNS IN THE CU,ZN SUPEROXIDE DISMUTASE FAMILY +REMARK 1 REF J.MOL.BIOL. V. 238 366 1994 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH K.DJINOVIC CARUGO,K.F.POLTICELLI,A.DESIDERI,G.ROTILIO, +REMARK 1 AUTH 2 K.S.WILSON,M.BOLOGNESI +REMARK 1 TITL CRYSTALLOGRAPHIC STUDY OF AZIDE-INHIBITED BOVINE CU,ZN +REMARK 1 TITL 2 SUPEROXIDE DISMUTASE +REMARK 1 REF J.MOL.BIOL. V. 240 179 1994 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH K.DJINOVIC CARUGO,K.A.BATTISTONI,M.T.CARRI,F.POLTICELLI, +REMARK 1 AUTH 2 A.DESIDERI,G.ROTILIO,A.CODA,M.BOLOGNESI +REMARK 1 TITL CRYSTAL STRUCTURE OF THE CYANIDE-INHIBITED XENOPUS LAEVIS +REMARK 1 TITL 2 CU,ZN SUPEROXIDE DISMUTASE AT 98 K +REMARK 1 REF FEBS LETT. V. 349 93 1994 +REMARK 1 REFN ISSN 0014-5793 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH K.DJINOVIC CARUGO,K.C.COLLYER,A.CODA,M.T.CARRI,A.BATTISTONI, +REMARK 1 AUTH 2 G.BOTARO,F.POLTICELLI,A.DESIDERI,M.BOLOGNESI +REMARK 1 TITL CRYSTALLISATION AND PRELIMINARY CRYSTALLOGRAPHIC ANALYSIS OF +REMARK 1 TITL 2 RECOMBINANT XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B +REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 194 1008 1993 +REMARK 1 REFN ISSN 0006-291X +REMARK 1 REFERENCE 5 +REMARK 1 AUTH K.DJINOVIC,G.GATTI,L.ANTOLINI,G.PELOSI,A.DESIDERI,M.FALCONI, +REMARK 1 AUTH 2 F.MARMOCCHI,G.ROTILIO,M.BOLOGNESI +REMARK 1 TITL CRYSTAL STRUCTURE OF YEAST CU,ZN SUPEROXIDE DISMUTASE +REMARK 1 REF J.MOL.BIOL. V. 225 791 1992 +REMARK 1 REFN ISSN 0022-2836 +REMARK 2 +REMARK 2 RESOLUTION. 1.49 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : SHELXL-93 +REMARK 3 AUTHORS : G.M.SHELDRICK +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.49 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.104 +REMARK 3 FREE R VALUE (NO CUTOFF) : 0.169 +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). +REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL +REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2148 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 4 +REMARK 3 SOLVENT ATOMS : 350 +REMARK 3 +REMARK 3 MODEL REFINEMENT. +REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL +REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL +REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL +REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL +REMARK 3 NUMBER OF RESTRAINTS : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. +REMARK 3 BOND LENGTHS (A) : 0.022 +REMARK 3 ANGLE DISTANCES (A) : NULL +REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL +REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL +REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL +REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL +REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL +REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL +REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL +REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED: NULL +REMARK 3 +REMARK 3 STEREOCHEMISTRY TARGET VALUES : NULL +REMARK 3 SPECIAL CASE: NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: RESIDUE 24 IS IN POOR ELECTRON DENSITY. +REMARK 4 +REMARK 4 1XSO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000177308. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 18-AUG-93 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG +REMARK 200 BEAMLINE : X31 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : 0.92 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : CUSTOM-MADE +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49209 +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 98.8 +REMARK 200 DATA REDUNDANCY : 4.980 +REMARK 200 R MERGE (I) : 0.07800 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 49.36 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 36.72500 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.38000 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.47000 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 29.38000 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.72500 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.47000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 300 REMARK: MTRIX +REMARK 300 THE TRANSFORMATIONS PRESENTED ON MTRIX RECORDS BELOW +REMARK 300 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG THE +REMARK 300 VARIOUS DOMAINS IN THIS ENTRY. APPLYING THE APPROPRIATE +REMARK 300 MTRIX TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL +REMARK 300 YIELD APPROXIMATE COORDINATES FOR THE RESIDUES LISTED +REMARK 300 SECOND. +REMARK 300 +REMARK 300 APPLIED TO TRANSFORMED TO +REMARK 300 MTRIX RESIDUES RESIDUES RMSD +REMARK 300 M1 A 2 .. A 151 B 2 .. B 151 0.279 +REMARK 300 +REMARK 300 CALCULATED FOR C-ALPHA ATOMS +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 13350 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 480 +REMARK 480 ZERO OCCUPANCY ATOM +REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO +REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS +REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 480 M RES C SSEQI ATOMS +REMARK 480 LYS A 3 NZ +REMARK 480 LYS A 15 CD NZ +REMARK 480 GLN A 23 OE1 NE2 +REMARK 480 ASP A 24 CB +REMARK 480 GLU A 25 CB CG CD OE1 OE2 +REMARK 480 GLU A 34 CD OE1 OE2 +REMARK 480 MET A 56 CG +REMARK 480 GLN A 94 CG +REMARK 480 LYS A 105 CD +REMARK 480 LYS A 120 CE +REMARK 480 LYS A 126 CD CE NZ +REMARK 480 LYS B 3 NZ +REMARK 480 ASP B 13 OD2 +REMARK 480 LYS B 15 CE NZ +REMARK 480 GLN B 23 CG CD OE1 NE2 +REMARK 480 ASP B 24 CG OD1 OD2 +REMARK 480 GLU B 30 OE2 +REMARK 480 LYS B 32 NZ +REMARK 480 ASN B 66 ND2 +REMARK 480 LYS B 96 CD CE NZ +REMARK 480 LYS B 105 CD CE NZ +REMARK 480 LYS B 120 NZ +REMARK 480 LYS B 126 CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 O HOH A 167 O HOH A 263 2.09 +REMARK 500 O HOH B 222 O HOH B 298 2.10 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 CYS A 6 CB CYS A 6 SG -0.103 +REMARK 500 CYS A 6 CB CYS A 6 SG -0.098 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 CYS A 6 N - CA - CB ANGL. DEV. = -11.1 DEGREES +REMARK 500 CYS A 6 N - CA - CB ANGL. DEV. = 14.2 DEGREES +REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES +REMARK 500 CYS B 6 CB - CA - C ANGL. DEV. = -13.7 DEGREES +REMARK 500 CYS B 6 N - CA - CB ANGL. DEV. = -19.0 DEGREES +REMARK 500 LEU B 8 N - CA - CB ANGL. DEV. = 12.5 DEGREES +REMARK 500 ASN B 51 CB - CA - C ANGL. DEV. = -16.1 DEGREES +REMARK 500 VAL B 92 N - CA - CB ANGL. DEV. = 16.0 DEGREES +REMARK 500 SER B 100 N - CA - CB ANGL. DEV. = 17.9 DEGREES +REMARK 500 ARG B 141 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES +REMARK 500 SER B 150 N - CA - CB ANGL. DEV. = -13.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASP A 24 -138.67 56.46 +REMARK 500 ASN A 53 51.00 -115.30 +REMARK 500 ASP B 24 -136.64 50.71 +REMARK 500 ASN B 63 58.35 -145.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CU A 1 CU +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 118 NE2 +REMARK 620 2 HIS A 46 NE2 99.9 +REMARK 620 3 HIS A 44 ND1 90.6 139.7 +REMARK 620 4 HIS A 61 NE2 166.3 90.5 87.1 +REMARK 620 5 HOH A 167 O 87.3 100.6 118.8 82.0 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN A 152 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 81 OD1 +REMARK 620 2 HIS A 78 ND1 112.3 +REMARK 620 3 HIS A 69 ND1 96.7 121.8 +REMARK 620 4 HIS A 61 ND1 105.0 109.4 109.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 CU B 152 CU +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 44 ND1 +REMARK 620 2 HOH B 159 O 126.0 +REMARK 620 3 HOH B 154 O 89.0 38.4 +REMARK 620 4 HIS B 118 NE2 91.8 89.2 79.5 +REMARK 620 5 HIS B 61 NE2 86.4 80.7 86.7 166.1 +REMARK 620 6 HIS B 46 NE2 137.8 95.3 133.2 97.8 92.8 +REMARK 620 N 1 2 3 4 5 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 153 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 69 ND1 +REMARK 620 2 HIS B 78 ND1 122.4 +REMARK 620 3 ASP B 81 OD1 97.2 111.2 +REMARK 620 4 HIS B 61 ND1 109.4 110.5 104.0 +REMARK 620 N 1 2 3 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: A +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: NULL +REMARK 800 +REMARK 800 SITE_IDENTIFIER: B +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: NULL +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 1 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 152 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU B 152 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 153 +DBREF 1XSO A 2 151 UNP P15107 SODC2_XENLA 1 150 +DBREF 1XSO B 2 151 UNP P15107 SODC2_XENLA 1 150 +SEQADV 1XSO SER A 60 UNP P15107 PRO 60 CONFLICT +SEQADV 1XSO SER B 60 UNP P15107 PRO 60 CONFLICT +SEQRES 1 A 150 VAL LYS ALA VAL CYS VAL LEU ALA GLY SER GLY ASP VAL +SEQRES 2 A 150 LYS GLY VAL VAL HIS PHE GLU GLN GLN ASP GLU GLY ALA +SEQRES 3 A 150 VAL SER VAL GLU GLY LYS ILE GLU GLY LEU THR ASP GLY +SEQRES 4 A 150 LEU HIS GLY PHE HIS ILE HIS VAL PHE GLY ASP ASN THR +SEQRES 5 A 150 ASN GLY CYS MET SER ALA GLY SER HIS PHE ASN PRO GLU +SEQRES 6 A 150 ASN LYS ASN HIS GLY ALA PRO GLY ASP THR ASP ARG HIS +SEQRES 7 A 150 VAL GLY ASP LEU GLY ASN VAL THR ALA GLU GLY GLY VAL +SEQRES 8 A 150 ALA GLN PHE LYS ILE THR ASP SER LEU ILE SER LEU LYS +SEQRES 9 A 150 GLY PRO ASN SER ILE ILE GLY ARG THR ALA VAL VAL HIS +SEQRES 10 A 150 GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY ASN ASP GLU +SEQRES 11 A 150 SER LEU LYS THR GLY ASN ALA GLY GLY ARG LEU ALA CYS +SEQRES 12 A 150 GLY VAL ILE GLY TYR SER PRO +SEQRES 1 B 150 VAL LYS ALA VAL CYS VAL LEU ALA GLY SER GLY ASP VAL +SEQRES 2 B 150 LYS GLY VAL VAL HIS PHE GLU GLN GLN ASP GLU GLY ALA +SEQRES 3 B 150 VAL SER VAL GLU GLY LYS ILE GLU GLY LEU THR ASP GLY +SEQRES 4 B 150 LEU HIS GLY PHE HIS ILE HIS VAL PHE GLY ASP ASN THR +SEQRES 5 B 150 ASN GLY CYS MET SER ALA GLY SER HIS PHE ASN PRO GLU +SEQRES 6 B 150 ASN LYS ASN HIS GLY ALA PRO GLY ASP THR ASP ARG HIS +SEQRES 7 B 150 VAL GLY ASP LEU GLY ASN VAL THR ALA GLU GLY GLY VAL +SEQRES 8 B 150 ALA GLN PHE LYS ILE THR ASP SER LEU ILE SER LEU LYS +SEQRES 9 B 150 GLY PRO ASN SER ILE ILE GLY ARG THR ALA VAL VAL HIS +SEQRES 10 B 150 GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY ASN ASP GLU +SEQRES 11 B 150 SER LEU LYS THR GLY ASN ALA GLY GLY ARG LEU ALA CYS +SEQRES 12 B 150 GLY VAL ILE GLY TYR SER PRO +HET CU A 1 1 +HET ZN A 152 1 +HET CU B 152 1 +HET ZN B 153 1 +HETNAM CU COPPER (II) ION +HETNAM ZN ZINC ION +FORMUL 3 CU 2(CU 2+) +FORMUL 4 ZN 2(ZN 2+) +FORMUL 7 HOH *350(H2 O) +HELIX 1 1 GLY A 54 ALA A 58 5 5 +HELIX 2 2 GLU A 131 THR A 135 5 5 +HELIX 3 3 GLY B 54 SER B 57 5 4 +HELIX 4 4 SER B 132 THR B 135 1 4 +SHEET 1 A 4 LYS A 3 LEU A 8 0 +SHEET 2 A 4 LYS A 15 GLN A 22 -1 N PHE A 20 O ALA A 4 +SHEET 3 A 4 VAL A 27 GLU A 34 -1 N GLU A 34 O LYS A 15 +SHEET 4 A 4 VAL A 92 ASP A 99 -1 N ASP A 99 O VAL A 27 +SHEET 1 B 2 GLY A 39 GLY A 42 0 +SHEET 2 B 2 ASN A 84 ALA A 87 -1 N ALA A 87 O GLY A 39 +SHEET 1 C 3 PHE A 43 HIS A 46 0 +SHEET 2 C 3 THR A 114 HIS A 118 -1 N VAL A 116 O HIS A 44 +SHEET 3 C 3 ARG A 141 VAL A 146 -1 N GLY A 145 O ALA A 115 +SHEET 1 D 4 LYS B 3 LEU B 8 0 +SHEET 2 D 4 LYS B 15 GLU B 21 -1 N PHE B 20 O ALA B 4 +SHEET 3 D 4 VAL B 27 GLU B 34 -1 N GLU B 34 O LYS B 15 +SHEET 4 D 4 VAL B 92 ASP B 99 -1 N ASP B 99 O VAL B 27 +SHEET 1 E 2 GLY B 39 GLY B 42 0 +SHEET 2 E 2 ASN B 84 ALA B 87 -1 N ALA B 87 O GLY B 39 +SHEET 1 F 3 PHE B 43 HIS B 46 0 +SHEET 2 F 3 THR B 114 HIS B 118 -1 N VAL B 116 O HIS B 44 +SHEET 3 F 3 ARG B 141 VAL B 146 -1 N GLY B 145 O ALA B 115 +SSBOND 1 CYS A 55 CYS A 144 1555 1555 2.02 +SSBOND 2 CYS B 55 CYS B 144 1555 1555 2.04 +LINK CU CU A 1 NE2 HIS A 118 1555 1555 2.11 +LINK CU CU A 1 NE2 HIS A 46 1555 1555 2.21 +LINK CU CU A 1 ND1 HIS A 44 1555 1555 2.00 +LINK CU CU A 1 NE2 HIS A 61 1555 1555 2.08 +LINK CU CU A 1 O HOH A 167 1555 1555 2.26 +LINK ZN ZN A 152 OD1 ASP A 81 1555 1555 2.00 +LINK ZN ZN A 152 ND1 HIS A 78 1555 1555 2.06 +LINK ZN ZN A 152 ND1 HIS A 69 1555 1555 2.07 +LINK ZN ZN A 152 ND1 HIS A 61 1555 1555 2.04 +LINK CU CU B 152 ND1 HIS B 44 1555 1555 2.02 +LINK CU CU B 152 O HOH B 159 1555 1555 2.40 +LINK CU CU B 152 O HOH B 154 1555 1555 2.49 +LINK CU CU B 152 NE2 HIS B 118 1555 1555 2.07 +LINK CU CU B 152 NE2 HIS B 61 1555 1555 2.08 +LINK CU CU B 152 NE2 HIS B 46 1555 1555 2.20 +LINK ZN ZN B 153 ND1 HIS B 69 1555 1555 2.04 +LINK ZN ZN B 153 ND1 HIS B 78 1555 1555 2.00 +LINK ZN ZN B 153 OD1 ASP B 81 1555 1555 1.97 +LINK ZN ZN B 153 ND1 HIS B 61 1555 1555 2.02 +SITE 1 A 9 HIS A 44 HIS A 46 HIS A 61 HIS A 118 +SITE 2 A 9 HIS A 69 HIS A 78 ASP A 81 CU A 1 +SITE 3 A 9 ZN A 152 +SITE 1 B 9 HIS B 44 HIS B 46 HIS B 61 HIS B 118 +SITE 2 B 9 HIS B 69 HIS B 78 ASP B 81 CU B 152 +SITE 3 B 9 ZN B 153 +SITE 1 AC1 5 HIS A 44 HIS A 46 HIS A 61 HIS A 118 +SITE 2 AC1 5 HOH A 167 +SITE 1 AC2 4 HIS A 61 HIS A 69 HIS A 78 ASP A 81 +SITE 1 AC3 6 HIS B 44 HIS B 46 HIS B 61 HIS B 118 +SITE 2 AC3 6 HOH B 154 HOH B 159 +SITE 1 AC4 4 HIS B 61 HIS B 69 HIS B 78 ASP B 81 +CRYST1 73.450 68.940 58.760 90.00 90.00 90.00 P 21 21 21 8 +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 +SCALE1 0.013615 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.014505 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.017018 0.00000 +MTRIX1 1 0.987830 -0.010290 -0.155220 1.43777 1 +MTRIX2 1 -0.008360 -0.999880 0.013070 33.15571 1 +MTRIX3 1 -0.155330 -0.011610 -0.987790 17.07902 1 +ATOM 1 N VAL A 2 34.073 13.737 -6.547 1.00 28.31 N +ATOM 2 CA VAL A 2 33.152 13.559 -5.393 1.00 23.48 C +ATOM 3 C VAL A 2 31.781 14.171 -5.689 1.00 16.45 C +ATOM 4 O VAL A 2 31.715 15.192 -6.369 1.00 16.89 O +ATOM 5 CB VAL A 2 33.724 14.108 -4.107 1.00 35.69 C +ATOM 6 CG1 VAL A 2 34.755 15.173 -4.267 1.00 50.19 C +ATOM 7 CG2 VAL A 2 32.642 14.513 -3.113 1.00 52.13 C +ATOM 8 N LYS A 3 30.706 13.614 -5.155 1.00 15.93 N +ATOM 9 CA LYS A 3 29.362 14.134 -5.338 1.00 13.50 C +ATOM 10 C LYS A 3 28.720 14.319 -3.952 1.00 12.18 C +ATOM 11 O LYS A 3 28.982 13.552 -3.017 1.00 13.42 O +ATOM 12 CB LYS A 3 28.527 13.141 -6.151 1.00 18.20 C +ATOM 13 CG LYS A 3 29.001 12.987 -7.623 1.00 24.30 C +ATOM 14 CD LYS A 3 28.217 11.853 -8.317 1.00 35.54 C +ATOM 15 CE LYS A 3 27.014 12.388 -9.057 1.00 46.02 C +ATOM 16 NZ LYS A 3 26.177 11.303 -9.644 0.00 45.92 N +ATOM 17 N ALA A 4 27.868 15.333 -3.851 1.00 12.48 N +ATOM 18 CA ALA A 4 27.168 15.609 -2.628 1.00 9.38 C +ATOM 19 C ALA A 4 25.731 16.038 -2.980 1.00 9.15 C +ATOM 20 O ALA A 4 25.441 16.334 -4.144 1.00 10.93 O +ATOM 21 CB ALA A 4 27.866 16.655 -1.813 1.00 13.10 C +ATOM 22 N VAL A 5 24.861 16.030 -1.995 1.00 10.24 N +ATOM 23 CA VAL A 5 23.437 16.346 -2.221 1.00 9.05 C +ATOM 24 C VAL A 5 22.881 16.966 -0.919 1.00 9.05 C +ATOM 25 O VAL A 5 23.397 16.751 0.149 1.00 9.56 O +ATOM 26 CB VAL A 5 22.638 15.103 -2.622 1.00 9.69 C +ATOM 27 CG1 VAL A 5 22.540 14.074 -1.490 1.00 13.37 C +ATOM 28 CG2 VAL A 5 21.263 15.376 -3.188 1.00 14.22 C +ATOM 29 N CYS A 6 21.789 17.734 -1.084 1.00 10.15 N +ATOM 30 CA CYS A 6 21.056 18.270 0.063 1.00 10.03 C +ATOM 31 C CYS A 6 19.554 18.254 -0.260 1.00 10.30 C +ATOM 32 O CYS A 6 19.224 18.572 -1.405 1.00 11.96 O +ATOM 33 CB ACYS A 6 21.438 19.816 -0.079 0.50 12.85 C +ATOM 34 CB BCYS A 6 21.428 19.604 0.838 0.50 8.66 C +ATOM 35 SG ACYS A 6 20.948 20.797 1.232 0.50 17.76 S +ATOM 36 SG BCYS A 6 21.325 20.953 -0.214 0.50 11.63 S +ATOM 37 N VAL A 7 18.749 17.919 0.704 1.00 11.12 N +ATOM 38 CA VAL A 7 17.293 18.033 0.592 1.00 9.89 C +ATOM 39 C VAL A 7 16.860 19.252 1.455 1.00 9.75 C +ATOM 40 O VAL A 7 17.198 19.288 2.636 1.00 12.42 O +ATOM 41 CB VAL A 7 16.620 16.787 1.095 1.00 12.30 C +ATOM 42 CG1 VAL A 7 15.120 16.901 1.105 1.00 18.01 C +ATOM 43 CG2 VAL A 7 17.101 15.587 0.215 1.00 18.15 C +ATOM 44 N LEU A 8 16.239 20.231 0.812 1.00 10.55 N +ATOM 45 CA LEU A 8 15.809 21.425 1.471 1.00 11.20 C +ATOM 46 C LEU A 8 14.346 21.278 1.936 1.00 10.03 C +ATOM 47 O LEU A 8 13.468 20.828 1.206 1.00 16.00 O +ATOM 48 CB ALEU A 8 15.930 22.698 0.630 0.50 14.60 C +ATOM 49 CB BLEU A 8 15.816 22.579 0.453 0.50 14.13 C +ATOM 50 CG ALEU A 8 17.352 23.247 0.421 0.50 14.79 C +ATOM 51 CG BLEU A 8 17.154 22.859 -0.252 0.50 11.84 C +ATOM 52 CD1ALEU A 8 18.066 22.421 -0.650 0.50 18.64 C +ATOM 53 CD1BLEU A 8 16.971 23.972 -1.288 0.50 10.45 C +ATOM 54 CD2ALEU A 8 17.328 24.688 -0.052 0.50 24.54 C +ATOM 55 CD2BLEU A 8 18.209 23.329 0.737 0.50 12.11 C +ATOM 56 N ALA A 9 14.122 21.661 3.169 1.00 11.64 N +ATOM 57 CA ALA A 9 12.844 21.656 3.818 1.00 12.96 C +ATOM 58 C ALA A 9 12.792 22.775 4.845 1.00 13.33 C +ATOM 59 O ALA A 9 13.835 23.229 5.310 1.00 13.60 O +ATOM 60 CB ALA A 9 12.533 20.319 4.455 1.00 19.38 C +ATOM 61 N GLY A 10 11.572 23.166 5.206 1.00 16.05 N +ATOM 62 CA GLY A 10 11.401 24.215 6.207 1.00 17.91 C +ATOM 63 C GLY A 10 10.076 24.122 6.899 1.00 20.95 C +ATOM 64 O GLY A 10 9.398 23.074 6.829 1.00 30.35 O +ATOM 65 N SER A 11 9.660 25.230 7.515 1.00 28.90 N +ATOM 66 CA SER A 11 8.473 25.378 8.288 1.00 33.67 C +ATOM 67 C SER A 11 7.214 25.473 7.423 1.00 32.38 C +ATOM 68 O SER A 11 6.097 25.320 7.934 1.00 44.38 O +ATOM 69 CB SER A 11 8.537 26.658 9.182 1.00 40.97 C +ATOM 70 OG SER A 11 9.631 27.484 8.718 1.00 70.77 O +ATOM 71 N GLY A 12 7.396 25.735 6.144 1.00 29.99 N +ATOM 72 CA GLY A 12 6.269 25.847 5.235 1.00 28.31 C +ATOM 73 C GLY A 12 6.374 24.777 4.126 1.00 29.84 C +ATOM 74 O GLY A 12 6.829 23.674 4.348 1.00 36.56 O +ATOM 75 N ASP A 13 5.937 25.177 2.947 1.00 29.43 N +ATOM 76 CA ASP A 13 5.815 24.354 1.792 1.00 27.65 C +ATOM 77 C ASP A 13 6.961 24.412 0.823 1.00 22.64 C +ATOM 78 O ASP A 13 6.916 23.836 -0.259 1.00 32.78 O +ATOM 79 CB ASP A 13 4.480 24.548 1.083 1.00 35.38 C +ATOM 80 CG ASP A 13 3.347 23.837 1.819 1.00 45.27 C +ATOM 81 OD1 ASP A 13 2.763 24.428 2.733 1.00 58.41 O +ATOM 82 OD2 ASP A 13 3.046 22.688 1.420 1.00 64.46 O +ATOM 83 N VAL A 14 7.971 25.197 1.176 1.00 18.76 N +ATOM 84 CA VAL A 14 9.131 25.297 0.270 1.00 13.82 C +ATOM 85 C VAL A 14 9.987 24.060 0.436 1.00 15.52 C +ATOM 86 O VAL A 14 10.393 23.643 1.515 1.00 17.81 O +ATOM 87 CB VAL A 14 9.948 26.548 0.611 1.00 15.19 C +ATOM 88 CG1 VAL A 14 11.191 26.592 -0.283 1.00 18.65 C +ATOM 89 CG2 VAL A 14 9.135 27.799 0.543 1.00 20.10 C +ATOM 90 N LYS A 15 10.319 23.403 -0.694 1.00 15.51 N +ATOM 91 CA LYS A 15 11.115 22.187 -0.632 1.00 16.83 C +ATOM 92 C LYS A 15 11.943 22.088 -1.912 1.00 14.44 C +ATOM 93 O LYS A 15 11.611 22.688 -2.932 1.00 21.04 O +ATOM 94 CB LYS A 15 10.150 20.975 -0.540 1.00 19.63 C +ATOM 95 CG LYS A 15 9.272 20.844 -1.774 1.00 30.40 C +ATOM 96 CD LYS A 15 8.392 19.604 -1.697 0.00 40.98 C +ATOM 97 CE LYS A 15 8.319 18.890 -3.040 1.00 50.85 C +ATOM 98 NZ LYS A 15 6.911 18.619 -3.443 0.00 51.06 N +ATOM 99 N GLY A 16 13.048 21.336 -1.855 1.00 14.81 N +ATOM 100 CA GLY A 16 13.847 21.198 -3.088 1.00 16.73 C +ATOM 101 C GLY A 16 14.993 20.218 -2.881 1.00 12.41 C +ATOM 102 O GLY A 16 15.118 19.629 -1.798 1.00 13.92 O +ATOM 103 N VAL A 17 15.777 20.067 -3.917 1.00 11.00 N +ATOM 104 CA VAL A 17 16.936 19.211 -3.933 1.00 12.41 C +ATOM 105 C VAL A 17 18.055 19.934 -4.702 1.00 9.37 C +ATOM 106 O VAL A 17 17.836 20.513 -5.742 1.00 13.60 O +ATOM 107 CB VAL A 17 16.635 17.858 -4.617 1.00 16.16 C +ATOM 108 CG1 VAL A 17 17.933 16.983 -4.557 1.00 21.33 C +ATOM 109 CG2 VAL A 17 15.541 17.118 -3.839 1.00 19.65 C +ATOM 110 N VAL A 18 19.260 19.869 -4.148 1.00 9.94 N +ATOM 111 CA VAL A 18 20.416 20.485 -4.798 1.00 9.53 C +ATOM 112 C VAL A 18 21.530 19.434 -4.890 1.00 11.28 C +ATOM 113 O VAL A 18 21.787 18.785 -3.871 1.00 12.29 O +ATOM 114 CB VAL A 18 20.914 21.712 -4.106 1.00 12.36 C +ATOM 115 CG1 VAL A 18 22.092 22.387 -4.836 1.00 14.34 C +ATOM 116 CG2 VAL A 18 19.804 22.705 -3.841 1.00 17.74 C +ATOM 117 N HIS A 19 22.094 19.284 -6.044 1.00 11.05 N +ATOM 118 CA HIS A 19 23.225 18.356 -6.269 1.00 10.79 C +ATOM 119 C HIS A 19 24.527 19.153 -6.473 1.00 11.77 C +ATOM 120 O HIS A 19 24.547 20.205 -7.093 1.00 13.93 O +ATOM 121 CB HIS A 19 22.906 17.530 -7.527 1.00 18.16 C +ATOM 122 CG HIS A 19 21.858 16.494 -7.322 1.00 26.17 C +ATOM 123 ND1 HIS A 19 22.149 15.200 -6.888 1.00 28.19 N +ATOM 124 CD2 HIS A 19 20.525 16.560 -7.452 1.00 32.51 C +ATOM 125 CE1 HIS A 19 21.056 14.541 -6.758 1.00 32.39 C +ATOM 126 NE2 HIS A 19 20.028 15.310 -7.102 1.00 34.60 N +ATOM 127 N PHE A 20 25.624 18.585 -6.022 1.00 9.83 N +ATOM 128 CA PHE A 20 26.968 19.172 -6.100 1.00 12.03 C +ATOM 129 C PHE A 20 27.942 18.147 -6.687 1.00 9.07 C +ATOM 130 O PHE A 20 27.894 16.986 -6.255 1.00 14.12 O +ATOM 131 CB PHE A 20 27.515 19.547 -4.693 1.00 12.18 C +ATOM 132 CG PHE A 20 26.653 20.512 -3.924 1.00 11.00 C +ATOM 133 CD1 PHE A 20 25.616 20.065 -3.140 1.00 12.47 C +ATOM 134 CD2 PHE A 20 26.878 21.873 -3.975 1.00 13.18 C +ATOM 135 CE1 PHE A 20 24.793 20.939 -2.448 1.00 16.60 C +ATOM 136 CE2 PHE A 20 26.087 22.766 -3.255 1.00 14.69 C +ATOM 137 CZ PHE A 20 25.058 22.309 -2.487 1.00 14.50 C +ATOM 138 N GLU A 21 28.823 18.552 -7.570 1.00 12.83 N +ATOM 139 CA GLU A 21 29.844 17.619 -8.065 1.00 14.69 C +ATOM 140 C GLU A 21 31.164 18.352 -8.312 1.00 13.97 C +ATOM 141 O GLU A 21 31.149 19.496 -8.796 1.00 15.94 O +ATOM 142 CB GLU A 21 29.326 16.999 -9.393 1.00 20.69 C +ATOM 143 CG GLU A 21 30.257 16.013 -10.048 1.00 29.92 C +ATOM 144 CD GLU A 21 29.536 15.164 -11.106 1.00 41.21 C +ATOM 145 OE1 GLU A 21 28.388 15.478 -11.456 1.00 52.62 O +ATOM 146 OE2 GLU A 21 30.164 14.178 -11.578 1.00 52.64 O +ATOM 147 N GLN A 22 32.268 17.697 -8.014 1.00 15.32 N +ATOM 148 CA GLN A 22 33.617 18.261 -8.189 1.00 14.46 C +ATOM 149 C GLN A 22 34.546 17.130 -8.669 1.00 18.34 C +ATOM 150 O GLN A 22 34.525 16.056 -8.055 1.00 20.98 O +ATOM 151 CB GLN A 22 34.120 18.672 -6.771 1.00 15.81 C +ATOM 152 CG GLN A 22 35.452 19.443 -6.847 1.00 17.90 C +ATOM 153 CD GLN A 22 35.878 19.981 -5.501 1.00 14.30 C +ATOM 154 OE1 GLN A 22 35.529 19.359 -4.472 1.00 18.17 O +ATOM 155 NE2 GLN A 22 36.611 21.049 -5.457 1.00 20.19 N +ATOM 156 N GLN A 23 35.390 17.434 -9.608 1.00 23.46 N +ATOM 157 CA GLN A 23 36.458 16.472 -10.044 1.00 35.24 C +ATOM 158 C GLN A 23 37.800 17.106 -9.624 1.00 40.86 C +ATOM 159 O GLN A 23 37.933 18.327 -9.780 1.00 42.23 O +ATOM 160 CB GLN A 23 36.449 16.399 -11.583 1.00 43.56 C +ATOM 161 CG GLN A 23 35.070 16.023 -12.141 1.00 58.92 C +ATOM 162 CD GLN A 23 34.638 14.646 -11.665 1.00 65.75 C +ATOM 163 OE1 GLN A 23 34.824 14.293 -10.504 0.00 63.64 O +ATOM 164 NE2 GLN A 23 34.062 13.867 -12.568 0.00 67.55 N +ATOM 165 N ASP A 24 38.709 16.324 -9.102 1.00 49.68 N +ATOM 166 CA ASP A 24 39.992 16.859 -8.599 1.00 54.75 C +ATOM 167 C ASP A 24 39.708 17.933 -7.547 1.00 51.49 C +ATOM 168 O ASP A 24 38.788 17.754 -6.731 1.00 44.08 O +ATOM 169 CB ASP A 24 40.923 17.294 -9.667 0.00 61.28 C +ATOM 170 CG ASP A 24 40.415 18.040 -10.847 1.00 67.23 C +ATOM 171 OD1 ASP A 24 39.675 17.468 -11.693 1.00 88.65 O +ATOM 172 OD2 ASP A 24 40.826 19.230 -11.048 1.00 82.64 O +ATOM 173 N GLU A 25 40.443 19.021 -7.568 1.00 47.81 N +ATOM 174 CA GLU A 25 40.160 20.153 -6.631 1.00 42.14 C +ATOM 175 C GLU A 25 39.675 21.334 -7.469 1.00 36.95 C +ATOM 176 O GLU A 25 39.955 22.496 -7.223 1.00 45.86 O +ATOM 177 CB GLU A 25 41.460 20.522 -5.912 0.00 41.53 C +ATOM 178 CG GLU A 25 42.518 19.432 -5.947 0.00 41.54 C +ATOM 179 CD GLU A 25 43.919 19.983 -6.125 0.00 41.41 C +ATOM 180 OE1 GLU A 25 44.311 20.257 -7.279 0.00 41.37 O +ATOM 181 OE2 GLU A 25 44.629 20.145 -5.110 0.00 41.34 O +ATOM 182 N GLY A 25A 38.940 21.006 -8.547 1.00 35.16 N +ATOM 183 CA GLY A 25A 38.466 22.062 -9.438 1.00 30.84 C +ATOM 184 C GLY A 25A 37.135 22.649 -9.008 1.00 26.52 C +ATOM 185 O GLY A 25A 36.678 22.555 -7.874 1.00 24.92 O +ATOM 186 N ALA A 26 36.494 23.327 -9.945 1.00 21.09 N +ATOM 187 CA ALA A 26 35.247 23.996 -9.627 1.00 18.86 C +ATOM 188 C ALA A 26 34.175 23.013 -9.279 1.00 17.00 C +ATOM 189 O ALA A 26 34.135 21.860 -9.696 1.00 23.20 O +ATOM 190 CB ALA A 26 34.834 24.884 -10.819 1.00 24.73 C +ATOM 191 N VAL A 27 33.241 23.494 -8.492 1.00 13.48 N +ATOM 192 CA VAL A 27 32.081 22.686 -8.152 1.00 14.56 C +ATOM 193 C VAL A 27 30.869 23.108 -9.008 1.00 14.24 C +ATOM 194 O VAL A 27 30.552 24.277 -9.114 1.00 15.24 O +ATOM 195 CB VAL A 27 31.716 22.923 -6.662 1.00 13.92 C +ATOM 196 CG1 VAL A 27 30.493 22.048 -6.301 1.00 19.33 C +ATOM 197 CG2 VAL A 27 32.934 22.549 -5.797 1.00 15.63 C +ATOM 198 N SER A 28 30.220 22.107 -9.575 1.00 13.48 N +ATOM 199 CA SER A 28 28.974 22.252 -10.310 1.00 14.67 C +ATOM 200 C SER A 28 27.792 22.043 -9.351 1.00 13.93 C +ATOM 201 O SER A 28 27.756 21.094 -8.573 1.00 17.34 O +ATOM 202 CB ASER A 28 28.919 21.102 -11.356 0.50 18.05 C +ATOM 203 CB BSER A 28 28.625 21.232 -11.423 0.50 19.06 C +ATOM 204 OG ASER A 28 27.816 21.279 -12.203 0.50 28.68 O +ATOM 205 OG BSER A 28 29.592 21.274 -12.431 0.50 24.87 O +ATOM 206 N VAL A 29 26.853 23.000 -9.328 1.00 13.74 N +ATOM 207 CA VAL A 29 25.682 23.053 -8.496 1.00 15.89 C +ATOM 208 C VAL A 29 24.422 23.104 -9.380 1.00 15.59 C +ATOM 209 O VAL A 29 24.280 23.971 -10.198 1.00 20.04 O +ATOM 210 CB VAL A 29 25.674 24.355 -7.628 1.00 16.00 C +ATOM 211 CG1 VAL A 29 24.518 24.277 -6.622 1.00 19.58 C +ATOM 212 CG2 VAL A 29 27.001 24.399 -6.810 1.00 15.89 C +ATOM 213 N GLU A 30 23.571 22.077 -9.172 1.00 13.64 N +ATOM 214 CA GLU A 30 22.334 22.000 -9.928 1.00 12.63 C +ATOM 215 C GLU A 30 21.185 21.737 -8.935 1.00 13.05 C +ATOM 216 O GLU A 30 21.220 20.787 -8.166 1.00 15.94 O +ATOM 217 CB GLU A 30 22.355 20.776 -10.883 1.00 21.60 C +ATOM 218 CG GLU A 30 23.527 20.738 -11.775 1.00 37.75 C +ATOM 219 CD GLU A 30 23.374 19.702 -12.892 1.00 53.71 C +ATOM 220 OE1 GLU A 30 22.209 19.456 -13.270 1.00 67.15 O +ATOM 221 OE2 GLU A 30 24.415 19.197 -13.327 1.00 79.49 O +ATOM 222 N GLY A 31 20.151 22.550 -9.031 1.00 12.66 N +ATOM 223 CA GLY A 31 19.066 22.396 -8.129 1.00 15.87 C +ATOM 224 C GLY A 31 17.707 22.763 -8.686 1.00 13.13 C +ATOM 225 O GLY A 31 17.637 23.455 -9.703 1.00 14.30 O +ATOM 226 N LYS A 32 16.679 22.375 -7.937 1.00 11.52 N +ATOM 227 CA LYS A 32 15.275 22.688 -8.200 1.00 11.89 C +ATOM 228 C LYS A 32 14.603 22.912 -6.843 1.00 10.60 C +ATOM 229 O LYS A 32 14.725 22.096 -5.939 1.00 14.62 O +ATOM 230 CB LYS A 32 14.527 21.623 -8.979 1.00 16.47 C +ATOM 231 CG LYS A 32 13.091 21.888 -9.238 1.00 23.20 C +ATOM 232 CD LYS A 32 12.425 20.818 -10.112 1.00 36.35 C +ATOM 233 CE LYS A 32 11.137 21.392 -10.713 1.00 46.45 C +ATOM 234 NZ LYS A 32 10.244 20.389 -11.350 1.00 52.66 N +ATOM 235 N ILE A 33 13.985 24.065 -6.724 1.00 13.16 N +ATOM 236 CA ILE A 33 13.292 24.464 -5.502 1.00 12.00 C +ATOM 237 C ILE A 33 11.876 24.938 -5.898 1.00 11.66 C +ATOM 238 O ILE A 33 11.722 25.687 -6.806 1.00 17.40 O +ATOM 239 CB ILE A 33 14.019 25.637 -4.806 1.00 14.47 C +ATOM 240 CG1 ILE A 33 15.499 25.286 -4.570 1.00 15.29 C +ATOM 241 CG2 ILE A 33 13.354 25.923 -3.451 1.00 16.22 C +ATOM 242 CD1 ILE A 33 16.325 26.397 -4.014 1.00 20.57 C +ATOM 243 N GLU A 34 10.915 24.351 -5.200 1.00 14.07 N +ATOM 244 CA GLU A 34 9.517 24.617 -5.408 1.00 13.72 C +ATOM 245 C GLU A 34 8.885 25.324 -4.213 1.00 14.55 C +ATOM 246 O GLU A 34 9.198 25.122 -3.064 1.00 17.60 O +ATOM 247 CB GLU A 34 8.752 23.337 -5.733 1.00 20.88 C +ATOM 248 CG GLU A 34 9.372 22.507 -6.852 1.00 26.88 C +ATOM 249 CD GLU A 34 8.591 21.241 -7.134 0.00 25.76 C +ATOM 250 OE1 GLU A 34 8.356 20.463 -6.185 0.00 24.87 O +ATOM 251 OE2 GLU A 34 8.210 21.023 -8.302 0.00 26.52 O +ATOM 252 N GLY A 35 7.880 26.181 -4.501 1.00 14.08 N +ATOM 253 CA GLY A 35 7.135 26.860 -3.516 1.00 14.78 C +ATOM 254 C GLY A 35 7.550 28.296 -3.223 1.00 14.10 C +ATOM 255 O GLY A 35 7.143 28.860 -2.249 1.00 21.11 O +ATOM 256 N LEU A 36 8.418 28.817 -4.084 1.00 14.63 N +ATOM 257 CA LEU A 36 8.955 30.170 -3.923 1.00 13.64 C +ATOM 258 C LEU A 36 8.065 31.187 -4.602 1.00 15.15 C +ATOM 259 O LEU A 36 7.545 30.960 -5.681 1.00 20.62 O +ATOM 260 CB LEU A 36 10.356 30.233 -4.559 1.00 14.53 C +ATOM 261 CG LEU A 36 11.472 29.488 -3.853 1.00 15.36 C +ATOM 262 CD1 LEU A 36 12.754 29.551 -4.767 1.00 19.87 C +ATOM 263 CD2 LEU A 36 11.763 29.981 -2.500 1.00 19.00 C +ATOM 264 N THR A 37 8.000 32.401 -4.001 1.00 16.35 N +ATOM 265 CA THR A 37 7.339 33.492 -4.704 1.00 16.22 C +ATOM 266 C THR A 37 8.194 34.012 -5.839 1.00 15.95 C +ATOM 267 O THR A 37 9.448 33.928 -5.838 1.00 16.15 O +ATOM 268 CB THR A 37 7.109 34.676 -3.710 1.00 19.97 C +ATOM 269 OG1 THR A 37 8.377 35.021 -3.155 1.00 23.88 O +ATOM 270 CG2 THR A 37 6.200 34.266 -2.594 1.00 24.92 C +ATOM 271 N ASP A 38 7.546 34.568 -6.867 1.00 19.16 N +ATOM 272 CA ASP A 38 8.308 35.014 -8.001 1.00 22.61 C +ATOM 273 C ASP A 38 9.339 36.041 -7.701 1.00 17.57 C +ATOM 274 O ASP A 38 9.159 36.923 -6.846 1.00 23.13 O +ATOM 275 CB ASP A 38 7.509 35.148 -9.256 1.00 36.18 C +ATOM 276 CG ASP A 38 6.883 33.831 -9.720 1.00 49.47 C +ATOM 277 OD1 ASP A 38 7.009 32.743 -9.035 1.00 39.78 O +ATOM 278 OD2 ASP A 38 6.220 33.846 -10.792 1.00 62.48 O +ATOM 279 N GLY A 39 10.490 35.929 -8.350 1.00 17.35 N +ATOM 280 CA GLY A 39 11.586 36.872 -8.187 1.00 15.43 C +ATOM 281 C GLY A 39 12.854 36.206 -7.676 1.00 12.34 C +ATOM 282 O GLY A 39 13.046 34.993 -7.688 1.00 14.36 O +ATOM 283 N LEU A 40 13.754 37.059 -7.186 1.00 13.11 N +ATOM 284 CA LEU A 40 15.022 36.658 -6.659 1.00 11.54 C +ATOM 285 C LEU A 40 14.976 36.238 -5.213 1.00 9.99 C +ATOM 286 O LEU A 40 14.348 36.872 -4.379 1.00 15.10 O +ATOM 287 CB LEU A 40 16.065 37.761 -6.840 1.00 15.19 C +ATOM 288 CG LEU A 40 16.432 38.261 -8.189 1.00 21.10 C +ATOM 289 CD1 LEU A 40 17.336 39.453 -8.188 1.00 27.72 C +ATOM 290 CD2 LEU A 40 16.846 37.250 -9.210 1.00 32.89 C +ATOM 291 N HIS A 41 15.717 35.160 -4.931 1.00 10.07 N +ATOM 292 CA HIS A 41 15.914 34.644 -3.612 1.00 10.05 C +ATOM 293 C HIS A 41 17.386 34.282 -3.367 1.00 8.36 C +ATOM 294 O HIS A 41 18.015 33.572 -4.158 1.00 10.78 O +ATOM 295 CB HIS A 41 15.089 33.373 -3.411 1.00 11.44 C +ATOM 296 CG HIS A 41 13.587 33.619 -3.505 1.00 11.15 C +ATOM 297 ND1 HIS A 41 12.813 33.864 -2.376 1.00 13.52 N +ATOM 298 CD2 HIS A 41 12.741 33.657 -4.566 1.00 13.29 C +ATOM 299 CE1 HIS A 41 11.563 34.039 -2.768 1.00 16.05 C +ATOM 300 NE2 HIS A 41 11.504 33.918 -4.071 1.00 14.57 N +ATOM 301 N GLY A 42 17.910 34.771 -2.254 1.00 10.04 N +ATOM 302 CA GLY A 42 19.305 34.506 -1.858 1.00 8.54 C +ATOM 303 C GLY A 42 19.494 33.006 -1.591 1.00 7.85 C +ATOM 304 O GLY A 42 18.612 32.343 -1.030 1.00 11.97 O +ATOM 305 N PHE A 43 20.651 32.517 -2.006 1.00 9.99 N +ATOM 306 CA PHE A 43 21.033 31.101 -1.845 1.00 9.08 C +ATOM 307 C PHE A 43 22.482 31.020 -1.343 1.00 7.92 C +ATOM 308 O PHE A 43 23.420 31.451 -2.006 1.00 10.45 O +ATOM 309 CB PHE A 43 20.897 30.380 -3.183 1.00 11.35 C +ATOM 310 CG PHE A 43 21.178 28.885 -3.080 1.00 11.73 C +ATOM 311 CD1 PHE A 43 20.268 28.045 -2.428 1.00 16.15 C +ATOM 312 CD2 PHE A 43 22.346 28.361 -3.635 1.00 15.32 C +ATOM 313 CE1 PHE A 43 20.528 26.673 -2.337 1.00 21.43 C +ATOM 314 CE2 PHE A 43 22.607 26.990 -3.545 1.00 20.52 C +ATOM 315 CZ PHE A 43 21.698 26.145 -2.897 1.00 19.52 C +ATOM 316 N HIS A 44 22.597 30.532 -0.101 1.00 7.72 N +ATOM 317 CA HIS A 44 23.861 30.583 0.585 1.00 8.00 C +ATOM 318 C HIS A 44 24.144 29.271 1.371 1.00 8.78 C +ATOM 319 O HIS A 44 23.273 28.545 1.743 1.00 9.64 O +ATOM 320 CB HIS A 44 23.787 31.661 1.693 1.00 11.03 C +ATOM 321 CG HIS A 44 23.347 33.000 1.252 1.00 9.11 C +ATOM 322 ND1 HIS A 44 22.568 33.796 2.061 1.00 9.47 N +ATOM 323 CD2 HIS A 44 23.545 33.698 0.129 1.00 10.66 C +ATOM 324 CE1 HIS A 44 22.346 34.947 1.443 1.00 11.24 C +ATOM 325 NE2 HIS A 44 22.935 34.918 0.257 1.00 9.90 N +ATOM 326 N ILE A 45 25.462 29.106 1.626 1.00 6.76 N +ATOM 327 CA ILE A 45 25.920 28.060 2.512 1.00 7.78 C +ATOM 328 C ILE A 45 26.203 28.660 3.898 1.00 5.66 C +ATOM 329 O ILE A 45 27.050 29.568 4.003 1.00 7.89 O +ATOM 330 CB ILE A 45 27.198 27.349 2.008 1.00 7.86 C +ATOM 331 CG1 ILE A 45 27.106 26.916 0.546 1.00 10.22 C +ATOM 332 CG2 ILE A 45 27.457 26.174 2.934 1.00 10.80 C +ATOM 333 CD1 ILE A 45 26.003 26.010 0.152 1.00 13.89 C +ATOM 334 N HIS A 46 25.473 28.222 4.892 1.00 7.37 N +ATOM 335 CA HIS A 46 25.677 28.668 6.268 1.00 8.81 C +ATOM 336 C HIS A 46 26.580 27.696 6.983 1.00 7.00 C +ATOM 337 O HIS A 46 26.674 26.533 6.577 1.00 9.29 O +ATOM 338 CB HIS A 46 24.304 28.876 6.970 1.00 8.76 C +ATOM 339 CG HIS A 46 23.575 30.111 6.514 1.00 9.08 C +ATOM 340 ND1 HIS A 46 23.154 31.083 7.353 1.00 10.97 N +ATOM 341 CD2 HIS A 46 23.183 30.504 5.300 1.00 9.22 C +ATOM 342 CE1 HIS A 46 22.554 32.042 6.698 1.00 11.61 C +ATOM 343 NE2 HIS A 46 22.571 31.727 5.424 1.00 7.27 N +ATOM 344 N VAL A 47 27.262 28.095 8.040 1.00 7.16 N +ATOM 345 CA VAL A 47 28.366 27.384 8.627 1.00 6.48 C +ATOM 346 C VAL A 47 28.103 26.059 9.256 1.00 8.62 C +ATOM 347 O VAL A 47 28.910 25.105 9.166 1.00 9.92 O +ATOM 348 CB VAL A 47 29.186 28.253 9.592 1.00 10.22 C +ATOM 349 CG1 VAL A 47 28.401 28.919 10.648 1.00 13.60 C +ATOM 350 CG2 VAL A 47 30.446 27.644 10.046 1.00 12.50 C +ATOM 351 N PHE A 48 27.029 25.952 10.048 1.00 8.76 N +ATOM 352 CA PHE A 48 26.737 24.755 10.797 1.00 8.59 C +ATOM 353 C PHE A 48 25.726 23.845 10.074 1.00 8.05 C +ATOM 354 O PHE A 48 24.760 24.374 9.494 1.00 13.24 O +ATOM 355 CB PHE A 48 26.270 25.036 12.241 1.00 10.09 C +ATOM 356 CG PHE A 48 27.308 25.810 13.050 1.00 11.14 C +ATOM 357 CD1 PHE A 48 28.519 25.208 13.344 1.00 15.21 C +ATOM 358 CD2 PHE A 48 27.056 27.086 13.511 1.00 17.08 C +ATOM 359 CE1 PHE A 48 29.488 25.880 14.043 1.00 19.27 C +ATOM 360 CE2 PHE A 48 27.993 27.730 14.323 1.00 21.94 C +ATOM 361 CZ PHE A 48 29.234 27.186 14.496 1.00 22.53 C +ATOM 362 N GLY A 49 25.890 22.564 10.189 1.00 8.31 N +ATOM 363 CA GLY A 49 24.971 21.507 9.742 1.00 8.32 C +ATOM 364 C GLY A 49 24.050 21.097 10.881 1.00 8.86 C +ATOM 365 O GLY A 49 23.870 19.897 11.076 1.00 11.26 O +ATOM 366 N ASP A 50 23.506 22.031 11.621 1.00 8.52 N +ATOM 367 CA ASP A 50 22.667 21.831 12.801 1.00 9.51 C +ATOM 368 C ASP A 50 21.251 22.304 12.547 1.00 9.33 C +ATOM 369 O ASP A 50 20.993 23.492 12.393 1.00 11.48 O +ATOM 370 CB ASP A 50 23.294 22.572 13.972 1.00 10.92 C +ATOM 371 CG ASP A 50 22.575 22.399 15.267 1.00 11.24 C +ATOM 372 OD1 ASP A 50 21.371 22.028 15.263 1.00 13.11 O +ATOM 373 OD2 ASP A 50 23.188 22.669 16.332 1.00 17.09 O +ATOM 374 N ASN A 51 20.329 21.366 12.408 1.00 11.79 N +ATOM 375 CA ASN A 51 18.950 21.597 12.116 1.00 13.08 C +ATOM 376 C ASN A 51 18.040 21.362 13.298 1.00 13.11 C +ATOM 377 O ASN A 51 16.816 21.168 13.197 1.00 15.71 O +ATOM 378 CB AASN A 51 18.494 21.281 10.747 0.50 17.63 C +ATOM 379 CB BASN A 51 18.517 20.540 11.132 0.50 14.26 C +ATOM 380 CG AASN A 51 19.159 21.857 9.551 0.50 20.52 C +ATOM 381 CG BASN A 51 17.281 20.777 10.326 0.50 17.85 C +ATOM 382 OD1AASN A 51 18.979 21.307 8.387 0.50 24.92 O +ATOM 383 OD1BASN A 51 16.451 19.798 10.109 0.50 33.95 O +ATOM 384 ND2AASN A 51 19.945 22.938 9.582 0.50 22.40 N +ATOM 385 ND2BASN A 51 16.811 22.006 10.067 0.50 19.83 N +ATOM 386 N THR A 52 18.639 21.409 14.512 1.00 11.81 N +ATOM 387 CA THR A 52 17.918 21.187 15.724 1.00 13.58 C +ATOM 388 C THR A 52 16.884 22.254 16.032 1.00 15.02 C +ATOM 389 O THR A 52 15.869 21.954 16.655 1.00 24.03 O +ATOM 390 CB THR A 52 18.790 20.938 16.953 1.00 14.10 C +ATOM 391 OG1 THR A 52 19.575 22.069 17.272 1.00 15.78 O +ATOM 392 CG2 THR A 52 19.640 19.709 16.869 1.00 17.95 C +ATOM 393 N ASN A 53 17.145 23.485 15.612 1.00 16.41 N +ATOM 394 CA ASN A 53 16.140 24.566 15.741 1.00 18.72 C +ATOM 395 C ASN A 53 15.754 24.990 14.339 1.00 18.22 C +ATOM 396 O ASN A 53 15.883 26.161 13.958 1.00 24.19 O +ATOM 397 CB ASN A 53 16.738 25.772 16.501 1.00 27.34 C +ATOM 398 CG ASN A 53 15.677 26.782 16.880 1.00 37.75 C +ATOM 399 OD1 ASN A 53 15.986 27.984 17.073 1.00 53.19 O +ATOM 400 ND2 ASN A 53 14.422 26.349 16.965 1.00 50.12 N +ATOM 401 N GLY A 54 15.390 24.048 13.467 1.00 18.41 N +ATOM 402 CA GLY A 54 15.115 24.479 12.116 1.00 17.47 C +ATOM 403 C GLY A 54 16.319 25.114 11.457 1.00 13.63 C +ATOM 404 O GLY A 54 17.463 24.762 11.739 1.00 19.20 O +ATOM 405 N CYS A 55 16.070 26.086 10.564 1.00 12.92 N +ATOM 406 CA CYS A 55 17.162 26.714 9.824 1.00 11.46 C +ATOM 407 C CYS A 55 17.925 27.737 10.629 1.00 13.18 C +ATOM 408 O CYS A 55 19.007 28.172 10.241 1.00 13.08 O +ATOM 409 CB CYS A 55 16.637 27.323 8.541 1.00 12.38 C +ATOM 410 SG CYS A 55 15.807 26.127 7.423 1.00 13.46 S +ATOM 411 N MET A 56 17.381 28.149 11.769 1.00 13.03 N +ATOM 412 CA MET A 56 18.023 29.106 12.617 1.00 15.86 C +ATOM 413 C MET A 56 19.320 28.641 13.243 1.00 14.70 C +ATOM 414 O MET A 56 20.289 29.424 13.355 1.00 18.13 O +ATOM 415 CB MET A 56 17.114 29.854 13.563 1.00 29.83 C +ATOM 416 CG MET A 56 16.809 31.296 13.072 0.00 37.26 C +ATOM 417 SD MET A 56 16.122 31.337 11.416 1.00 74.53 S +ATOM 418 CE MET A 56 16.282 33.043 10.938 1.00 72.42 C +ATOM 419 N SER A 57 19.442 27.376 13.533 1.00 11.42 N +ATOM 420 CA SER A 57 20.613 26.797 14.136 1.00 12.36 C +ATOM 421 C SER A 57 21.713 26.573 13.121 1.00 10.20 C +ATOM 422 O SER A 57 22.834 26.169 13.586 1.00 12.74 O +ATOM 423 CB SER A 57 20.302 25.562 14.939 1.00 15.37 C +ATOM 424 OG SER A 57 19.452 24.734 14.246 1.00 15.15 O +ATOM 425 N ALA A 58 21.569 26.925 11.884 1.00 10.27 N +ATOM 426 CA ALA A 58 22.649 26.831 10.912 1.00 11.04 C +ATOM 427 C ALA A 58 23.698 27.922 11.066 1.00 9.63 C +ATOM 428 O ALA A 58 24.761 27.879 10.438 1.00 10.46 O +ATOM 429 CB ALA A 58 22.080 26.827 9.479 1.00 12.72 C +ATOM 430 N GLY A 59 23.443 28.931 11.897 1.00 9.55 N +ATOM 431 CA GLY A 59 24.423 30.003 12.077 1.00 11.60 C +ATOM 432 C GLY A 59 24.469 30.974 10.908 1.00 9.73 C +ATOM 433 O GLY A 59 23.551 30.992 10.084 1.00 10.44 O +ATOM 434 N SER A 60 25.589 31.688 10.814 1.00 9.28 N +ATOM 435 CA SER A 60 25.865 32.698 9.787 1.00 8.34 C +ATOM 436 C SER A 60 26.533 32.077 8.584 1.00 9.31 C +ATOM 437 O SER A 60 26.624 30.874 8.412 1.00 9.78 O +ATOM 438 CB ASER A 60 26.630 33.886 10.358 0.50 11.89 C +ATOM 439 CB BSER A 60 26.550 33.896 10.449 0.50 12.25 C +ATOM 440 OG ASER A 60 25.947 34.452 11.489 0.33 10.99 O +ATOM 441 OG BSER A 60 27.809 33.510 11.044 0.66 17.46 O +ATOM 442 N HIS A 61 26.965 32.911 7.593 1.00 7.19 N +ATOM 443 CA HIS A 61 27.557 32.385 6.403 1.00 7.24 C +ATOM 444 C HIS A 61 28.929 31.763 6.641 1.00 7.38 C +ATOM 445 O HIS A 61 29.744 32.217 7.397 1.00 9.97 O +ATOM 446 CB HIS A 61 27.707 33.547 5.385 1.00 9.38 C +ATOM 447 CG HIS A 61 26.382 33.956 4.808 1.00 8.78 C +ATOM 448 ND1 HIS A 61 26.168 34.981 3.980 1.00 9.06 N +ATOM 449 CD2 HIS A 61 25.174 33.397 5.004 1.00 11.08 C +ATOM 450 CE1 HIS A 61 24.867 35.060 3.688 1.00 12.84 C +ATOM 451 NE2 HIS A 61 24.251 34.003 4.297 1.00 11.66 N +ATOM 452 N PHE A 62 29.170 30.723 5.844 1.00 7.37 N +ATOM 453 CA PHE A 62 30.443 30.032 5.888 1.00 7.69 C +ATOM 454 C PHE A 62 31.529 30.951 5.336 1.00 8.66 C +ATOM 455 O PHE A 62 31.437 31.411 4.201 1.00 8.67 O +ATOM 456 CB PHE A 62 30.338 28.743 5.100 1.00 9.12 C +ATOM 457 CG PHE A 62 31.606 27.898 5.103 1.00 8.46 C +ATOM 458 CD1 PHE A 62 32.322 27.665 6.268 1.00 10.92 C +ATOM 459 CD2 PHE A 62 32.056 27.335 3.916 1.00 12.32 C +ATOM 460 CE1 PHE A 62 33.472 26.872 6.242 1.00 13.49 C +ATOM 461 CE2 PHE A 62 33.167 26.573 3.887 1.00 14.14 C +ATOM 462 CZ PHE A 62 33.849 26.262 5.071 1.00 13.67 C +ATOM 463 N ASN A 63 32.488 31.336 6.176 1.00 9.42 N +ATOM 464 CA ASN A 63 33.430 32.405 5.833 1.00 8.55 C +ATOM 465 C ASN A 63 34.812 32.105 6.344 1.00 9.32 C +ATOM 466 O ASN A 63 35.415 32.905 7.122 1.00 10.05 O +ATOM 467 CB ASN A 63 32.905 33.719 6.524 1.00 8.40 C +ATOM 468 CG ASN A 63 33.699 34.942 6.148 1.00 9.41 C +ATOM 469 OD1 ASN A 63 34.304 35.042 5.092 1.00 10.17 O +ATOM 470 ND2 ASN A 63 33.675 35.974 7.057 1.00 12.03 N +ATOM 471 N PRO A 64 35.439 31.016 5.865 1.00 8.31 N +ATOM 472 CA PRO A 64 36.774 30.681 6.332 1.00 8.86 C +ATOM 473 C PRO A 64 37.864 31.592 5.825 1.00 11.00 C +ATOM 474 O PRO A 64 39.004 31.625 6.345 1.00 14.24 O +ATOM 475 CB PRO A 64 36.951 29.238 5.823 1.00 11.35 C +ATOM 476 CG PRO A 64 36.134 29.188 4.579 1.00 11.57 C +ATOM 477 CD PRO A 64 34.958 30.021 4.862 1.00 10.13 C +ATOM 478 N GLU A 65 37.589 32.395 4.809 1.00 10.66 N +ATOM 479 CA GLU A 65 38.592 33.320 4.328 1.00 11.47 C +ATOM 480 C GLU A 65 38.422 34.719 4.850 1.00 11.41 C +ATOM 481 O GLU A 65 39.131 35.652 4.458 1.00 13.92 O +ATOM 482 CB GLU A 65 38.748 33.291 2.769 1.00 16.40 C +ATOM 483 CG GLU A 65 39.113 31.872 2.302 1.00 20.74 C +ATOM 484 CD GLU A 65 39.418 31.715 0.849 1.00 26.62 C +ATOM 485 OE1 GLU A 65 39.527 32.703 0.118 1.00 39.97 O +ATOM 486 OE2 GLU A 65 39.653 30.535 0.420 1.00 30.65 O +ATOM 487 N ASN A 66 37.492 34.919 5.778 1.00 10.10 N +ATOM 488 CA ASN A 66 37.421 36.142 6.545 1.00 9.77 C +ATOM 489 C ASN A 66 37.231 37.398 5.716 1.00 11.40 C +ATOM 490 O ASN A 66 37.977 38.419 5.846 1.00 13.38 O +ATOM 491 CB ASN A 66 38.645 36.270 7.481 1.00 11.11 C +ATOM 492 CG ASN A 66 38.537 35.337 8.677 1.00 9.99 C +ATOM 493 OD1 ASN A 66 37.920 35.716 9.680 1.00 14.20 O +ATOM 494 ND2 ASN A 66 39.143 34.133 8.598 1.00 13.24 N +ATOM 495 N LYS A 67 36.188 37.398 4.919 1.00 10.79 N +ATOM 496 CA LYS A 67 35.815 38.504 4.097 1.00 11.14 C +ATOM 497 C LYS A 67 34.410 38.991 4.442 1.00 10.06 C +ATOM 498 O LYS A 67 33.718 38.418 5.268 1.00 10.63 O +ATOM 499 CB LYS A 67 35.811 38.064 2.578 1.00 12.61 C +ATOM 500 CG LYS A 67 37.115 37.385 2.212 1.00 22.72 C +ATOM 501 CD LYS A 67 38.047 38.212 1.461 1.00 32.56 C +ATOM 502 CE LYS A 67 39.351 37.646 1.013 1.00 37.12 C +ATOM 503 NZ LYS A 67 40.478 38.573 1.454 1.00 60.21 N +ATOM 504 N ASN A 68 34.017 40.089 3.804 1.00 12.16 N +ATOM 505 CA ASN A 68 32.638 40.571 3.931 1.00 10.36 C +ATOM 506 C ASN A 68 31.760 39.806 2.915 1.00 9.97 C +ATOM 507 O ASN A 68 32.204 39.131 2.026 1.00 12.24 O +ATOM 508 CB ASN A 68 32.601 42.041 3.588 1.00 11.17 C +ATOM 509 CG ASN A 68 33.418 42.935 4.504 1.00 11.71 C +ATOM 510 OD1 ASN A 68 34.095 43.866 4.026 1.00 28.68 O +ATOM 511 ND2 ASN A 68 33.283 42.806 5.801 1.00 13.05 N +ATOM 512 N HIS A 69 30.438 39.998 3.098 1.00 9.85 N +ATOM 513 CA HIS A 69 29.461 39.439 2.195 1.00 8.06 C +ATOM 514 C HIS A 69 29.530 40.119 0.822 1.00 10.28 C +ATOM 515 O HIS A 69 29.676 41.356 0.727 1.00 11.99 O +ATOM 516 CB HIS A 69 28.065 39.593 2.817 1.00 11.09 C +ATOM 517 CG HIS A 69 26.961 39.000 1.988 1.00 7.48 C +ATOM 518 ND1 HIS A 69 26.646 37.666 2.008 1.00 8.20 N +ATOM 519 CD2 HIS A 69 26.183 39.603 1.064 1.00 9.47 C +ATOM 520 CE1 HIS A 69 25.670 37.467 1.090 1.00 9.09 C +ATOM 521 NE2 HIS A 69 25.385 38.635 0.523 1.00 10.94 N +ATOM 522 N GLY A 70 29.401 39.337 -0.250 1.00 10.40 N +ATOM 523 CA GLY A 70 29.424 39.884 -1.605 1.00 13.12 C +ATOM 524 C GLY A 70 28.663 38.973 -2.568 1.00 9.27 C +ATOM 525 O GLY A 70 27.938 38.065 -2.164 1.00 12.76 O +ATOM 526 N ALA A 71 28.896 39.280 -3.828 1.00 14.37 N +ATOM 527 CA ALA A 71 28.374 38.553 -4.970 1.00 14.34 C +ATOM 528 C ALA A 71 29.344 37.401 -5.309 1.00 13.65 C +ATOM 529 O ALA A 71 30.546 37.527 -5.050 1.00 14.54 O +ATOM 530 CB ALA A 71 28.273 39.497 -6.160 1.00 17.17 C +ATOM 531 N PRO A 72 28.865 36.359 -5.982 1.00 13.07 N +ATOM 532 CA PRO A 72 29.741 35.266 -6.358 1.00 13.90 C +ATOM 533 C PRO A 72 30.943 35.643 -7.170 1.00 14.64 C +ATOM 534 O PRO A 72 32.020 34.985 -7.051 1.00 17.72 O +ATOM 535 CB PRO A 72 28.880 34.242 -7.015 1.00 20.37 C +ATOM 536 CG PRO A 72 27.507 34.731 -6.956 1.00 21.24 C +ATOM 537 CD PRO A 72 27.433 36.016 -6.269 1.00 15.31 C +ATOM 538 N GLY A 73 30.851 36.642 -8.045 1.00 17.96 N +ATOM 539 CA GLY A 73 31.930 37.131 -8.861 1.00 18.35 C +ATOM 540 C GLY A 73 32.909 38.071 -8.208 1.00 19.67 C +ATOM 541 O GLY A 73 33.900 38.497 -8.856 1.00 22.12 O +ATOM 542 N ASP A 74 32.645 38.469 -6.969 1.00 18.16 N +ATOM 543 CA ASP A 74 33.514 39.443 -6.280 1.00 18.04 C +ATOM 544 C ASP A 74 34.690 38.706 -5.625 1.00 18.24 C +ATOM 545 O ASP A 74 34.575 37.571 -5.232 1.00 20.95 O +ATOM 546 CB ASP A 74 32.720 40.156 -5.172 1.00 18.33 C +ATOM 547 CG ASP A 74 31.623 41.065 -5.666 1.00 20.18 C +ATOM 548 OD1 ASP A 74 31.705 41.503 -6.838 1.00 24.59 O +ATOM 549 OD2 ASP A 74 30.678 41.400 -4.896 1.00 20.51 O +ATOM 550 N THR A 75 35.766 39.437 -5.375 1.00 20.31 N +ATOM 551 CA THR A 75 36.893 38.943 -4.574 1.00 25.03 C +ATOM 552 C THR A 75 36.514 38.996 -3.089 1.00 19.78 C +ATOM 553 O THR A 75 36.726 38.056 -2.317 1.00 24.70 O +ATOM 554 CB THR A 75 38.088 39.937 -4.875 1.00 35.67 C +ATOM 555 OG1 THR A 75 38.718 39.391 -6.061 1.00 49.19 O +ATOM 556 CG2 THR A 75 39.102 39.922 -3.787 1.00 49.39 C +ATOM 557 N ASP A 76 35.810 40.061 -2.692 1.00 20.09 N +ATOM 558 CA ASP A 76 35.340 40.245 -1.322 1.00 18.55 C +ATOM 559 C ASP A 76 33.944 39.632 -1.172 1.00 13.36 C +ATOM 560 O ASP A 76 32.917 40.278 -1.443 1.00 18.31 O +ATOM 561 CB ASP A 76 35.294 41.732 -0.941 1.00 21.31 C +ATOM 562 CG ASP A 76 35.280 42.088 0.480 1.00 28.47 C +ATOM 563 OD1 ASP A 76 35.443 41.233 1.394 1.00 27.89 O +ATOM 564 OD2 ASP A 76 35.089 43.292 0.882 1.00 34.74 O +ATOM 565 N ARG A 77 33.945 38.361 -0.830 1.00 12.89 N +ATOM 566 CA ARG A 77 32.717 37.590 -0.599 1.00 9.61 C +ATOM 567 C ARG A 77 32.964 36.506 0.433 1.00 9.47 C +ATOM 568 O ARG A 77 34.157 36.081 0.606 1.00 11.65 O +ATOM 569 CB ARG A 77 32.255 36.910 -1.930 1.00 11.50 C +ATOM 570 CG ARG A 77 33.226 35.973 -2.555 1.00 14.74 C +ATOM 571 CD ARG A 77 32.679 35.113 -3.688 1.00 15.35 C +ATOM 572 NE ARG A 77 32.081 33.845 -3.164 1.00 12.51 N +ATOM 573 CZ ARG A 77 31.880 32.753 -3.901 1.00 13.16 C +ATOM 574 NH1 ARG A 77 32.073 32.800 -5.238 1.00 14.77 N +ATOM 575 NH2 ARG A 77 31.528 31.612 -3.327 1.00 11.25 N +ATOM 576 N HIS A 78 31.947 35.961 1.006 1.00 9.12 N +ATOM 577 CA HIS A 78 32.086 34.738 1.804 1.00 9.11 C +ATOM 578 C HIS A 78 32.133 33.529 0.873 1.00 9.12 C +ATOM 579 O HIS A 78 31.519 33.526 -0.207 1.00 9.17 O +ATOM 580 CB HIS A 78 30.847 34.560 2.703 1.00 9.94 C +ATOM 581 CG HIS A 78 30.595 35.713 3.626 1.00 9.26 C +ATOM 582 ND1 HIS A 78 29.298 36.158 3.946 1.00 8.42 N +ATOM 583 CD2 HIS A 78 31.448 36.397 4.400 1.00 9.75 C +ATOM 584 CE1 HIS A 78 29.411 37.098 4.864 1.00 9.59 C +ATOM 585 NE2 HIS A 78 30.675 37.251 5.170 1.00 11.36 N +ATOM 586 N VAL A 79 32.823 32.486 1.319 1.00 9.07 N +ATOM 587 CA VAL A 79 32.797 31.245 0.552 1.00 8.60 C +ATOM 588 C VAL A 79 31.374 30.824 0.269 1.00 8.03 C +ATOM 589 O VAL A 79 31.046 30.319 -0.790 1.00 10.54 O +ATOM 590 CB VAL A 79 33.603 30.138 1.251 1.00 9.28 C +ATOM 591 CG1 VAL A 79 33.336 28.769 0.633 1.00 12.55 C +ATOM 592 CG2 VAL A 79 35.086 30.486 1.176 1.00 12.76 C +ATOM 593 N GLY A 80 30.483 30.979 1.253 1.00 7.58 N +ATOM 594 CA GLY A 80 29.143 30.552 1.100 1.00 8.55 C +ATOM 595 C GLY A 80 28.227 31.424 0.289 1.00 8.74 C +ATOM 596 O GLY A 80 27.027 31.106 0.180 1.00 9.68 O +ATOM 597 N ASP A 81 28.717 32.477 -0.325 1.00 9.39 N +ATOM 598 CA ASP A 81 27.908 33.423 -1.095 1.00 8.73 C +ATOM 599 C ASP A 81 27.726 32.992 -2.529 1.00 9.12 C +ATOM 600 O ASP A 81 28.544 33.235 -3.398 1.00 13.60 O +ATOM 601 CB ASP A 81 28.555 34.812 -1.017 1.00 10.07 C +ATOM 602 CG ASP A 81 28.512 35.461 0.321 1.00 8.52 C +ATOM 603 OD1 ASP A 81 27.757 34.950 1.200 1.00 8.35 O +ATOM 604 OD2 ASP A 81 29.193 36.492 0.557 1.00 10.77 O +ATOM 605 N LEU A 82 26.576 32.333 -2.783 1.00 8.95 N +ATOM 606 CA LEU A 82 26.214 31.837 -4.087 1.00 8.02 C +ATOM 607 C LEU A 82 25.188 32.660 -4.827 1.00 11.27 C +ATOM 608 O LEU A 82 24.647 32.251 -5.865 1.00 14.55 O +ATOM 609 CB LEU A 82 25.850 30.368 -4.067 1.00 10.15 C +ATOM 610 CG LEU A 82 26.888 29.386 -3.605 1.00 14.00 C +ATOM 611 CD1 LEU A 82 26.362 27.982 -3.475 1.00 17.66 C +ATOM 612 CD2 LEU A 82 28.157 29.487 -4.387 1.00 16.06 C +ATOM 613 N GLY A 83 24.907 33.881 -4.352 1.00 10.85 N +ATOM 614 CA GLY A 83 24.067 34.813 -5.072 1.00 10.27 C +ATOM 615 C GLY A 83 22.603 34.528 -4.991 1.00 10.54 C +ATOM 616 O GLY A 83 22.109 34.105 -3.939 1.00 13.55 O +ATOM 617 N ASN A 84 21.867 34.832 -6.054 1.00 10.84 N +ATOM 618 CA ASN A 84 20.445 34.688 -6.121 1.00 11.11 C +ATOM 619 C ASN A 84 20.049 33.602 -7.122 1.00 11.47 C +ATOM 620 O ASN A 84 20.698 33.408 -8.120 1.00 13.74 O +ATOM 621 CB ASN A 84 19.778 35.978 -6.590 1.00 11.67 C +ATOM 622 CG ASN A 84 19.829 37.061 -5.548 1.00 12.92 C +ATOM 623 OD1 ASN A 84 19.271 36.853 -4.470 1.00 13.38 O +ATOM 624 ND2 ASN A 84 20.477 38.189 -5.839 1.00 14.41 N +ATOM 625 N VAL A 85 18.944 32.940 -6.749 1.00 11.44 N +ATOM 626 CA VAL A 85 18.256 32.079 -7.722 1.00 11.54 C +ATOM 627 C VAL A 85 16.938 32.770 -8.134 1.00 12.49 C +ATOM 628 O VAL A 85 16.396 33.542 -7.313 1.00 15.11 O +ATOM 629 CB VAL A 85 17.983 30.680 -7.163 1.00 15.02 C +ATOM 630 CG1 VAL A 85 19.313 29.998 -6.841 1.00 19.67 C +ATOM 631 CG2 VAL A 85 17.119 30.723 -5.920 1.00 19.01 C +ATOM 632 N THR A 86 16.434 32.517 -9.316 1.00 12.70 N +ATOM 633 CA THR A 86 15.227 33.160 -9.820 1.00 13.22 C +ATOM 634 C THR A 86 14.074 32.162 -9.909 1.00 11.45 C +ATOM 635 O THR A 86 14.159 31.128 -10.544 1.00 16.37 O +ATOM 636 CB THR A 86 15.475 33.754 -11.233 1.00 16.69 C +ATOM 637 OG1 THR A 86 16.504 34.743 -11.150 1.00 23.74 O +ATOM 638 CG2 THR A 86 14.264 34.488 -11.730 1.00 24.54 C +ATOM 639 N ALA A 87 12.974 32.530 -9.280 1.00 12.87 N +ATOM 640 CA ALA A 87 11.767 31.731 -9.286 1.00 12.42 C +ATOM 641 C ALA A 87 10.745 32.297 -10.258 1.00 13.37 C +ATOM 642 O ALA A 87 10.540 33.513 -10.313 1.00 16.47 O +ATOM 643 CB ALA A 87 11.170 31.601 -7.925 1.00 15.88 C +ATOM 644 N GLU A 88 10.115 31.408 -11.012 1.00 14.59 N +ATOM 645 CA GLU A 88 9.027 31.789 -11.912 1.00 15.61 C +ATOM 646 C GLU A 88 8.009 30.609 -11.886 1.00 15.39 C +ATOM 647 O GLU A 88 8.419 29.469 -11.893 1.00 17.15 O +ATOM 648 CB GLU A 88 9.533 31.953 -13.365 1.00 26.59 C +ATOM 649 CG GLU A 88 8.479 32.535 -14.294 1.00 39.86 C +ATOM 650 CD GLU A 88 8.989 33.276 -15.499 1.00 52.26 C +ATOM 651 OE1 GLU A 88 10.197 33.321 -15.809 1.00 60.13 O +ATOM 652 OE2 GLU A 88 8.142 33.911 -16.198 1.00 59.68 O +ATOM 653 N GLY A 90 6.730 30.920 -11.791 1.00 17.64 N +ATOM 654 CA GLY A 90 5.717 29.863 -11.716 1.00 17.09 C +ATOM 655 C GLY A 90 5.912 28.986 -10.469 1.00 14.62 C +ATOM 656 O GLY A 90 5.492 27.835 -10.484 1.00 20.18 O +ATOM 657 N GLY A 91 6.447 29.568 -9.412 1.00 15.56 N +ATOM 658 CA GLY A 91 6.646 28.926 -8.126 1.00 17.97 C +ATOM 659 C GLY A 91 7.871 28.042 -8.008 1.00 16.83 C +ATOM 660 O GLY A 91 8.095 27.419 -6.982 1.00 17.98 O +ATOM 661 N VAL A 92 8.705 28.002 -9.062 1.00 13.28 N +ATOM 662 CA VAL A 92 9.855 27.132 -9.136 1.00 15.58 C +ATOM 663 C VAL A 92 11.138 27.847 -9.563 1.00 14.74 C +ATOM 664 O VAL A 92 11.140 28.663 -10.513 1.00 16.27 O +ATOM 665 CB VAL A 92 9.590 26.020 -10.217 1.00 17.51 C +ATOM 666 CG1 VAL A 92 10.750 25.074 -10.279 1.00 24.35 C +ATOM 667 CG2 VAL A 92 8.269 25.310 -9.927 1.00 26.39 C +ATOM 668 N ALA A 93 12.223 27.548 -8.893 1.00 13.90 N +ATOM 669 CA ALA A 93 13.534 27.932 -9.287 1.00 11.52 C +ATOM 670 C ALA A 93 14.361 26.717 -9.725 1.00 12.06 C +ATOM 671 O ALA A 93 14.585 25.801 -8.907 1.00 18.21 O +ATOM 672 CB ALA A 93 14.224 28.636 -8.087 1.00 14.24 C +ATOM 673 N GLN A 94 14.801 26.678 -10.951 1.00 14.95 N +ATOM 674 CA GLN A 94 15.693 25.587 -11.477 1.00 17.49 C +ATOM 675 C GLN A 94 16.962 26.316 -11.952 1.00 16.14 C +ATOM 676 O GLN A 94 16.943 27.248 -12.731 1.00 23.94 O +ATOM 677 CB GLN A 94 15.023 24.908 -12.686 1.00 24.29 C +ATOM 678 CG GLN A 94 14.329 23.576 -12.379 0.00 38.09 C +ATOM 679 CD GLN A 94 13.673 22.956 -13.625 1.00 47.87 C +ATOM 680 OE1 GLN A 94 12.447 22.862 -13.699 1.00 67.91 O +ATOM 681 NE2 GLN A 94 14.423 22.527 -14.626 1.00 65.75 N +ATOM 682 N PHE A 95 18.111 25.898 -11.417 1.00 15.11 N +ATOM 683 CA PHE A 95 19.344 26.570 -11.595 1.00 14.70 C +ATOM 684 C PHE A 95 20.549 25.639 -11.709 1.00 16.12 C +ATOM 685 O PHE A 95 20.545 24.523 -11.216 1.00 15.20 O +ATOM 686 CB PHE A 95 19.574 27.596 -10.474 1.00 17.90 C +ATOM 687 CG PHE A 95 19.623 26.963 -9.081 1.00 15.37 C +ATOM 688 CD1 PHE A 95 18.467 26.770 -8.374 1.00 18.33 C +ATOM 689 CD2 PHE A 95 20.809 26.596 -8.495 1.00 20.35 C +ATOM 690 CE1 PHE A 95 18.491 26.202 -7.109 1.00 19.83 C +ATOM 691 CE2 PHE A 95 20.849 26.050 -7.219 1.00 23.18 C +ATOM 692 CZ PHE A 95 19.680 25.801 -6.540 1.00 24.88 C +ATOM 693 N LYS A 96 21.557 26.143 -12.412 1.00 17.12 N +ATOM 694 CA LYS A 96 22.863 25.528 -12.578 1.00 16.93 C +ATOM 695 C LYS A 96 23.936 26.622 -12.387 1.00 19.08 C +ATOM 696 O LYS A 96 23.896 27.600 -13.142 1.00 35.20 O +ATOM 697 CB LYS A 96 23.036 24.915 -13.968 1.00 26.93 C +ATOM 698 CG LYS A 96 24.164 23.937 -14.143 1.00 47.67 C +ATOM 699 CD LYS A 96 25.518 24.577 -14.390 1.00 61.87 C +ATOM 700 CE LYS A 96 26.635 23.560 -14.507 1.00 68.82 C +ATOM 701 NZ LYS A 96 26.600 22.798 -15.797 1.00 89.60 N +ATOM 702 N ILE A 97 24.823 26.421 -11.461 1.00 17.69 N +ATOM 703 CA ILE A 97 25.905 27.382 -11.196 1.00 20.34 C +ATOM 704 C ILE A 97 27.210 26.567 -11.133 1.00 17.60 C +ATOM 705 O ILE A 97 27.209 25.386 -10.810 1.00 21.56 O +ATOM 706 CB ILE A 97 25.620 27.931 -9.783 1.00 26.05 C +ATOM 707 CG1 ILE A 97 24.325 28.750 -9.723 1.00 32.92 C +ATOM 708 CG2 ILE A 97 26.716 28.598 -9.075 1.00 35.21 C +ATOM 709 CD1 ILE A 97 23.875 28.817 -8.239 1.00 39.23 C +ATOM 710 N THR A 98 28.302 27.258 -11.398 1.00 14.78 N +ATOM 711 CA THR A 98 29.661 26.759 -11.212 1.00 15.59 C +ATOM 712 C THR A 98 30.390 27.730 -10.291 1.00 13.96 C +ATOM 713 O THR A 98 30.251 28.924 -10.471 1.00 20.54 O +ATOM 714 CB THR A 98 30.395 26.654 -12.549 1.00 23.16 C +ATOM 715 OG1 THR A 98 29.822 25.619 -13.336 1.00 35.83 O +ATOM 716 CG2 THR A 98 31.881 26.325 -12.383 1.00 34.22 C +ATOM 717 N ASP A 99 31.052 27.196 -9.266 1.00 13.22 N +ATOM 718 CA ASP A 99 31.767 28.046 -8.336 1.00 12.14 C +ATOM 719 C ASP A 99 33.113 27.442 -7.955 1.00 14.58 C +ATOM 720 O ASP A 99 33.195 26.232 -7.784 1.00 16.45 O +ATOM 721 CB ASP A 99 30.914 28.310 -7.102 1.00 12.49 C +ATOM 722 CG ASP A 99 31.504 29.439 -6.263 1.00 12.83 C +ATOM 723 OD1 ASP A 99 31.284 30.597 -6.631 1.00 18.38 O +ATOM 724 OD2 ASP A 99 32.133 29.164 -5.205 1.00 12.93 O +ATOM 725 N SER A 100 34.127 28.305 -7.838 1.00 14.93 N +ATOM 726 CA SER A 100 35.472 27.896 -7.529 1.00 18.59 C +ATOM 727 C SER A 100 35.942 28.157 -6.127 1.00 17.20 C +ATOM 728 O SER A 100 37.075 27.819 -5.729 1.00 20.72 O +ATOM 729 CB ASER A 100 36.459 28.475 -8.570 0.50 24.10 C +ATOM 730 CB BSER A 100 36.351 28.405 -8.704 0.50 21.66 C +ATOM 731 OG ASER A 100 36.359 29.882 -8.642 0.50 31.58 O +ATOM 732 OG BSER A 100 35.970 27.815 -9.925 0.50 26.88 O +ATOM 733 N LEU A 101 35.080 28.744 -5.263 1.00 14.66 N +ATOM 734 CA LEU A 101 35.472 28.991 -3.882 1.00 13.58 C +ATOM 735 C LEU A 101 34.971 27.906 -2.942 1.00 10.88 C +ATOM 736 O LEU A 101 35.747 27.443 -2.111 1.00 15.95 O +ATOM 737 CB LEU A 101 35.033 30.353 -3.379 1.00 17.74 C +ATOM 738 CG LEU A 101 35.877 31.541 -3.598 1.00 25.06 C +ATOM 739 CD1 LEU A 101 35.377 32.724 -2.719 1.00 25.68 C +ATOM 740 CD2 LEU A 101 37.365 31.295 -3.370 1.00 35.54 C +ATOM 741 N ILE A 102 33.710 27.509 -3.125 1.00 11.37 N +ATOM 742 CA ILE A 102 33.244 26.309 -2.400 1.00 11.19 C +ATOM 743 C ILE A 102 34.031 25.087 -2.891 1.00 12.25 C +ATOM 744 O ILE A 102 34.540 25.054 -4.008 1.00 13.86 O +ATOM 745 CB ILE A 102 31.750 26.042 -2.572 1.00 10.80 C +ATOM 746 CG1 ILE A 102 31.313 25.897 -4.008 1.00 14.86 C +ATOM 747 CG2 ILE A 102 30.988 27.186 -1.857 1.00 12.77 C +ATOM 748 CD1 ILE A 102 29.924 25.393 -4.269 1.00 12.37 C +ATOM 749 N SER A 103 34.060 24.070 -2.055 1.00 11.00 N +ATOM 750 CA SER A 103 34.714 22.821 -2.367 1.00 11.78 C +ATOM 751 C SER A 103 33.932 21.688 -1.675 1.00 11.18 C +ATOM 752 O SER A 103 33.182 21.910 -0.755 1.00 10.91 O +ATOM 753 CB SER A 103 36.150 22.787 -1.786 1.00 14.12 C +ATOM 754 OG SER A 103 36.858 21.681 -2.392 1.00 15.49 O +ATOM 755 N LEU A 104 34.225 20.450 -2.085 1.00 12.60 N +ATOM 756 CA LEU A 104 33.727 19.278 -1.440 1.00 13.49 C +ATOM 757 C LEU A 104 34.844 18.562 -0.681 1.00 14.51 C +ATOM 758 O LEU A 104 34.606 17.475 -0.159 1.00 16.82 O +ATOM 759 CB LEU A 104 33.019 18.367 -2.402 1.00 13.27 C +ATOM 760 CG LEU A 104 31.817 18.935 -3.135 1.00 13.24 C +ATOM 761 CD1 LEU A 104 31.200 17.904 -4.040 1.00 16.51 C +ATOM 762 CD2 LEU A 104 30.821 19.574 -2.182 1.00 22.63 C +ATOM 763 N LYS A 105 36.033 19.165 -0.594 1.00 14.92 N +ATOM 764 CA LYS A 105 37.139 18.617 0.145 1.00 16.30 C +ATOM 765 C LYS A 105 38.020 19.765 0.678 1.00 17.78 C +ATOM 766 O LYS A 105 37.916 20.873 0.200 1.00 20.07 O +ATOM 767 CB LYS A 105 37.943 17.627 -0.649 1.00 26.20 C +ATOM 768 CG LYS A 105 38.587 18.132 -1.914 1.00 38.16 C +ATOM 769 CD LYS A 105 38.295 17.264 -3.120 0.00 45.15 C +ATOM 770 CE LYS A 105 38.612 15.811 -2.887 1.00 51.58 C +ATOM 771 NZ LYS A 105 39.344 15.183 -4.045 1.00 74.91 N +ATOM 772 N GLY A 106 38.847 19.487 1.675 1.00 19.33 N +ATOM 773 CA GLY A 106 39.756 20.514 2.201 1.00 21.58 C +ATOM 774 C GLY A 106 39.069 21.530 3.095 1.00 18.64 C +ATOM 775 O GLY A 106 37.951 21.383 3.502 1.00 19.53 O +ATOM 776 N PRO A 107 39.825 22.614 3.431 1.00 22.47 N +ATOM 777 CA PRO A 107 39.319 23.582 4.370 1.00 20.21 C +ATOM 778 C PRO A 107 38.074 24.306 3.947 1.00 18.04 C +ATOM 779 O PRO A 107 37.300 24.798 4.782 1.00 21.04 O +ATOM 780 CB PRO A 107 40.471 24.511 4.668 1.00 27.74 C +ATOM 781 CG PRO A 107 41.485 24.265 3.599 1.00 32.84 C +ATOM 782 CD PRO A 107 41.177 22.971 2.921 1.00 29.51 C +ATOM 783 N ASN A 108 37.840 24.411 2.634 1.00 16.95 N +ATOM 784 CA ASN A 108 36.612 25.126 2.208 1.00 16.20 C +ATOM 785 C ASN A 108 35.497 24.145 1.917 1.00 11.36 C +ATOM 786 O ASN A 108 34.457 24.512 1.302 1.00 13.30 O +ATOM 787 CB ASN A 108 36.912 25.991 0.956 1.00 16.68 C +ATOM 788 CG ASN A 108 37.721 27.249 1.285 1.00 17.43 C +ATOM 789 OD1 ASN A 108 38.099 27.496 2.410 1.00 25.79 O +ATOM 790 ND2 ASN A 108 38.009 28.052 0.257 1.00 23.69 N +ATOM 791 N SER A 109 35.633 22.908 2.412 1.00 13.60 N +ATOM 792 CA SER A 109 34.574 21.933 2.226 1.00 11.41 C +ATOM 793 C SER A 109 33.245 22.356 2.843 1.00 8.76 C +ATOM 794 O SER A 109 33.183 22.784 4.001 1.00 11.23 O +ATOM 795 CB SER A 109 34.969 20.550 2.764 1.00 13.21 C +ATOM 796 OG SER A 109 33.871 19.625 2.522 1.00 15.18 O +ATOM 797 N ILE A 110 32.185 22.147 2.061 1.00 9.64 N +ATOM 798 CA ILE A 110 30.831 22.455 2.487 1.00 9.08 C +ATOM 799 C ILE A 110 30.065 21.201 2.920 1.00 7.70 C +ATOM 800 O ILE A 110 28.908 21.288 3.338 1.00 8.22 O +ATOM 801 CB ILE A 110 30.002 23.213 1.413 1.00 8.72 C +ATOM 802 CG1 ILE A 110 29.770 22.393 0.148 1.00 11.65 C +ATOM 803 CG2 ILE A 110 30.710 24.554 1.095 1.00 14.02 C +ATOM 804 CD1 ILE A 110 28.874 22.986 -0.876 1.00 16.10 C +ATOM 805 N ILE A 111 30.724 20.050 2.887 1.00 8.67 N +ATOM 806 CA ILE A 111 30.119 18.824 3.402 1.00 8.53 C +ATOM 807 C ILE A 111 29.870 18.991 4.923 1.00 7.79 C +ATOM 808 O ILE A 111 30.738 19.425 5.658 1.00 10.56 O +ATOM 809 CB ILE A 111 31.078 17.625 3.151 1.00 9.12 C +ATOM 810 CG1 ILE A 111 31.305 17.349 1.695 1.00 15.77 C +ATOM 811 CG2 ILE A 111 30.496 16.377 3.818 1.00 12.59 C +ATOM 812 CD1 ILE A 111 30.190 16.906 0.875 1.00 21.97 C +ATOM 813 N GLY A 112 28.650 18.648 5.368 1.00 8.61 N +ATOM 814 CA GLY A 112 28.289 18.795 6.767 1.00 8.79 C +ATOM 815 C GLY A 112 27.879 20.213 7.159 1.00 7.90 C +ATOM 816 O GLY A 112 27.620 20.445 8.333 1.00 8.58 O +ATOM 817 N ARG A 113 27.675 21.068 6.188 1.00 7.37 N +ATOM 818 CA ARG A 113 27.185 22.403 6.322 1.00 7.08 C +ATOM 819 C ARG A 113 25.787 22.546 5.759 1.00 8.35 C +ATOM 820 O ARG A 113 25.203 21.568 5.322 1.00 11.44 O +ATOM 821 CB ARG A 113 28.170 23.471 5.886 1.00 8.02 C +ATOM 822 CG ARG A 113 29.557 23.164 6.463 1.00 8.67 C +ATOM 823 CD ARG A 113 30.544 24.252 6.312 1.00 11.20 C +ATOM 824 NE ARG A 113 31.894 23.897 6.706 1.00 8.84 N +ATOM 825 CZ ARG A 113 32.357 23.972 7.963 1.00 9.98 C +ATOM 826 NH1 ARG A 113 31.573 24.379 8.941 1.00 12.50 N +ATOM 827 NH2 ARG A 113 33.649 23.585 8.175 1.00 13.03 N +ATOM 828 N THR A 114 25.161 23.725 5.866 1.00 8.76 N +ATOM 829 CA THR A 114 23.769 23.859 5.487 1.00 7.28 C +ATOM 830 C THR A 114 23.581 24.762 4.312 1.00 7.26 C +ATOM 831 O THR A 114 24.030 25.921 4.332 1.00 12.10 O +ATOM 832 CB THR A 114 22.983 24.440 6.711 1.00 8.88 C +ATOM 833 OG1 THR A 114 23.057 23.509 7.787 1.00 10.05 O +ATOM 834 CG2 THR A 114 21.528 24.613 6.382 1.00 10.80 C +ATOM 835 N ALA A 115 22.847 24.332 3.310 1.00 7.23 N +ATOM 836 CA ALA A 115 22.405 25.212 2.224 1.00 6.29 C +ATOM 837 C ALA A 115 21.054 25.842 2.631 1.00 8.00 C +ATOM 838 O ALA A 115 20.177 25.119 3.152 1.00 9.43 O +ATOM 839 CB ALA A 115 22.219 24.422 0.973 1.00 8.85 C +ATOM 840 N VAL A 116 20.890 27.134 2.408 1.00 7.86 N +ATOM 841 CA VAL A 116 19.681 27.851 2.775 1.00 8.37 C +ATOM 842 C VAL A 116 19.160 28.672 1.588 1.00 7.99 C +ATOM 843 O VAL A 116 19.972 29.390 0.915 1.00 9.97 O +ATOM 844 CB VAL A 116 20.024 28.911 3.911 1.00 7.40 C +ATOM 845 CG1 VAL A 116 18.841 29.762 4.256 1.00 12.20 C +ATOM 846 CG2 VAL A 116 20.586 28.218 5.100 1.00 11.96 C +ATOM 847 N VAL A 117 17.875 28.625 1.354 1.00 8.18 N +ATOM 848 CA VAL A 117 17.197 29.521 0.430 1.00 8.38 C +ATOM 849 C VAL A 117 16.403 30.544 1.250 1.00 8.54 C +ATOM 850 O VAL A 117 15.674 30.164 2.199 1.00 10.09 O +ATOM 851 CB VAL A 117 16.341 28.868 -0.594 1.00 10.10 C +ATOM 852 CG1 VAL A 117 15.217 28.034 -0.049 1.00 15.22 C +ATOM 853 CG2 VAL A 117 15.858 29.776 -1.676 1.00 14.80 C +ATOM 854 N HIS A 118 16.582 31.801 0.930 1.00 8.68 N +ATOM 855 CA HIS A 118 16.080 32.933 1.637 1.00 8.12 C +ATOM 856 C HIS A 118 14.787 33.550 1.116 1.00 10.76 C +ATOM 857 O HIS A 118 14.433 33.406 -0.054 1.00 12.54 O +ATOM 858 CB HIS A 118 17.172 34.004 1.774 1.00 9.00 C +ATOM 859 CG HIS A 118 18.287 33.698 2.713 1.00 11.08 C +ATOM 860 ND1 HIS A 118 18.183 33.936 4.055 1.00 11.87 N +ATOM 861 CD2 HIS A 118 19.563 33.256 2.502 1.00 11.95 C +ATOM 862 CE1 HIS A 118 19.323 33.607 4.651 1.00 10.51 C +ATOM 863 NE2 HIS A 118 20.211 33.258 3.694 1.00 10.75 N +ATOM 864 N GLU A 119 14.067 34.246 1.985 1.00 11.78 N +ATOM 865 CA GLU A 119 12.840 34.925 1.753 1.00 11.83 C +ATOM 866 C GLU A 119 12.961 36.012 0.684 1.00 12.30 C +ATOM 867 O GLU A 119 12.067 36.151 -0.146 1.00 17.17 O +ATOM 868 CB GLU A 119 12.417 35.573 3.080 1.00 19.29 C +ATOM 869 CG GLU A 119 11.315 36.506 3.149 1.00 28.96 C +ATOM 870 CD GLU A 119 11.209 37.335 4.446 1.00 33.22 C +ATOM 871 OE1 GLU A 119 12.130 37.391 5.272 1.00 33.83 O +ATOM 872 OE2 GLU A 119 10.176 37.993 4.592 1.00 36.96 O +ATOM 873 N LYS A 120 14.029 36.814 0.752 1.00 14.90 N +ATOM 874 CA LYS A 120 14.190 37.970 -0.128 1.00 14.22 C +ATOM 875 C LYS A 120 15.450 37.838 -0.983 1.00 11.82 C +ATOM 876 O LYS A 120 16.240 36.910 -0.844 1.00 12.98 O +ATOM 877 CB LYS A 120 14.382 39.256 0.764 1.00 18.77 C +ATOM 878 CG LYS A 120 13.276 39.463 1.815 1.00 31.26 C +ATOM 879 CD LYS A 120 13.312 40.850 2.440 1.00 39.17 C +ATOM 880 CE LYS A 120 12.072 41.105 3.281 0.00 40.93 C +ATOM 881 NZ LYS A 120 12.289 40.802 4.723 1.00 54.76 N +ATOM 882 N ALA A 121 15.584 38.785 -1.943 1.00 14.62 N +ATOM 883 CA ALA A 121 16.784 38.832 -2.768 1.00 11.29 C +ATOM 884 C ALA A 121 18.002 39.221 -1.918 1.00 11.14 C +ATOM 885 O ALA A 121 17.926 40.046 -0.998 1.00 15.28 O +ATOM 886 CB ALA A 121 16.605 39.926 -3.857 1.00 16.83 C +ATOM 887 N ASP A 122 19.133 38.672 -2.269 1.00 11.24 N +ATOM 888 CA ASP A 122 20.422 39.102 -1.698 1.00 11.31 C +ATOM 889 C ASP A 122 20.865 40.360 -2.482 1.00 10.67 C +ATOM 890 O ASP A 122 20.881 40.326 -3.709 1.00 13.35 O +ATOM 891 CB ASP A 122 21.393 37.955 -1.993 1.00 11.45 C +ATOM 892 CG ASP A 122 22.775 38.082 -1.464 1.00 12.18 C +ATOM 893 OD1 ASP A 122 23.268 39.186 -1.165 1.00 11.57 O +ATOM 894 OD2 ASP A 122 23.457 37.031 -1.292 1.00 11.11 O +ATOM 895 N ASP A 123 21.157 41.418 -1.749 1.00 11.59 N +ATOM 896 CA ASP A 123 21.619 42.686 -2.271 1.00 11.63 C +ATOM 897 C ASP A 123 23.088 42.734 -2.627 1.00 11.54 C +ATOM 898 O ASP A 123 23.578 43.786 -3.093 1.00 16.11 O +ATOM 899 CB ASP A 123 21.192 43.852 -1.390 1.00 13.81 C +ATOM 900 CG ASP A 123 21.984 44.009 -0.104 1.00 14.61 C +ATOM 901 OD1 ASP A 123 23.045 43.395 0.055 1.00 13.93 O +ATOM 902 OD2 ASP A 123 21.513 44.729 0.815 1.00 18.49 O +ATOM 903 N LEU A 124 23.769 41.614 -2.464 1.00 11.99 N +ATOM 904 CA LEU A 124 25.133 41.371 -2.948 1.00 12.58 C +ATOM 905 C LEU A 124 26.166 42.259 -2.332 1.00 13.56 C +ATOM 906 O LEU A 124 27.292 42.510 -2.798 1.00 14.60 O +ATOM 907 CB LEU A 124 25.119 41.446 -4.489 1.00 13.98 C +ATOM 908 CG LEU A 124 24.161 40.504 -5.223 1.00 16.64 C +ATOM 909 CD1 LEU A 124 24.232 40.687 -6.724 1.00 20.04 C +ATOM 910 CD2 LEU A 124 24.360 39.057 -4.845 1.00 16.75 C +ATOM 911 N GLY A 125 25.847 42.785 -1.141 1.00 13.04 N +ATOM 912 CA GLY A 125 26.776 43.631 -0.430 1.00 13.97 C +ATOM 913 C GLY A 125 26.728 45.083 -0.817 1.00 15.55 C +ATOM 914 O GLY A 125 27.530 45.902 -0.350 1.00 19.20 O +ATOM 915 N LYS A 126 25.736 45.431 -1.640 1.00 15.89 N +ATOM 916 CA LYS A 126 25.636 46.814 -2.098 1.00 17.67 C +ATOM 917 C LYS A 126 24.455 47.560 -1.547 1.00 18.23 C +ATOM 918 O LYS A 126 24.006 48.542 -2.208 1.00 20.64 O +ATOM 919 CB LYS A 126 25.528 46.723 -3.667 1.00 25.03 C +ATOM 920 CG LYS A 126 26.936 46.245 -4.213 1.00 30.42 C +ATOM 921 CD LYS A 126 27.979 47.251 -3.763 0.00 29.49 C +ATOM 922 CE LYS A 126 29.205 47.214 -4.663 0.00 29.94 C +ATOM 923 NZ LYS A 126 30.339 46.490 -4.025 0.00 29.96 N +ATOM 924 N GLY A 127 23.876 47.136 -0.439 1.00 18.38 N +ATOM 925 CA GLY A 127 22.692 47.748 0.105 1.00 17.97 C +ATOM 926 C GLY A 127 22.873 49.006 0.862 1.00 18.02 C +ATOM 927 O GLY A 127 21.908 49.714 1.225 1.00 24.20 O +ATOM 928 N GLY A 128 24.100 49.375 1.144 1.00 17.32 N +ATOM 929 CA GLY A 128 24.355 50.671 1.835 1.00 20.02 C +ATOM 930 C GLY A 128 24.206 50.602 3.343 1.00 15.55 C +ATOM 931 O GLY A 128 23.964 51.646 3.980 1.00 17.47 O +ATOM 932 N ASN A 129 24.271 49.439 3.964 1.00 14.98 N +ATOM 933 CA ASN A 129 24.135 49.362 5.428 1.00 15.72 C +ATOM 934 C ASN A 129 24.971 48.198 5.914 1.00 13.04 C +ATOM 935 O ASN A 129 25.459 47.398 5.129 1.00 14.62 O +ATOM 936 CB ASN A 129 22.691 49.260 5.878 1.00 15.14 C +ATOM 937 CG ASN A 129 21.911 48.176 5.160 1.00 19.11 C +ATOM 938 OD1 ASN A 129 22.371 47.040 5.114 1.00 15.87 O +ATOM 939 ND2 ASN A 129 20.811 48.560 4.517 1.00 30.20 N +ATOM 940 N ASP A 130 25.184 48.155 7.223 1.00 14.24 N +ATOM 941 CA ASP A 130 26.085 47.155 7.792 1.00 14.92 C +ATOM 942 C ASP A 130 25.594 45.739 7.563 1.00 14.43 C +ATOM 943 O ASP A 130 26.373 44.791 7.303 1.00 15.54 O +ATOM 944 CB ASP A 130 26.279 47.497 9.242 1.00 15.12 C +ATOM 945 CG ASP A 130 27.068 48.734 9.557 1.00 18.41 C +ATOM 946 OD1 ASP A 130 27.457 49.522 8.650 1.00 21.93 O +ATOM 947 OD2 ASP A 130 27.247 49.002 10.783 1.00 22.08 O +ATOM 948 N GLU A 131 24.275 45.568 7.628 1.00 14.32 N +ATOM 949 CA GLU A 131 23.665 44.242 7.404 1.00 15.35 C +ATOM 950 C GLU A 131 23.963 43.701 6.022 1.00 13.39 C +ATOM 951 O GLU A 131 24.150 42.499 5.830 1.00 13.14 O +ATOM 952 CB GLU A 131 22.201 44.278 7.753 1.00 18.42 C +ATOM 953 CG GLU A 131 21.474 42.964 7.698 1.00 23.30 C +ATOM 954 CD GLU A 131 21.905 42.014 8.811 1.00 27.07 C +ATOM 955 OE1 GLU A 131 22.005 42.457 9.969 1.00 37.65 O +ATOM 956 OE2 GLU A 131 22.106 40.834 8.513 1.00 32.51 O +ATOM 957 N SER A 132 24.016 44.584 5.024 1.00 13.86 N +ATOM 958 CA SER A 132 24.353 44.193 3.664 1.00 12.64 C +ATOM 959 C SER A 132 25.696 43.468 3.641 1.00 12.67 C +ATOM 960 O SER A 132 25.800 42.483 2.891 1.00 13.76 O +ATOM 961 CB SER A 132 24.320 45.391 2.737 1.00 14.43 C +ATOM 962 OG SER A 132 24.685 45.044 1.405 1.00 13.58 O +ATOM 963 N LEU A 133 26.678 43.877 4.403 1.00 12.64 N +ATOM 964 CA LEU A 133 27.995 43.292 4.471 1.00 11.90 C +ATOM 965 C LEU A 133 28.071 42.007 5.286 1.00 9.79 C +ATOM 966 O LEU A 133 29.175 41.429 5.342 1.00 14.16 O +ATOM 967 CB LEU A 133 29.087 44.275 4.951 1.00 15.74 C +ATOM 968 CG LEU A 133 29.223 45.543 4.130 1.00 19.76 C +ATOM 969 CD1 LEU A 133 30.159 46.552 4.851 1.00 28.44 C +ATOM 970 CD2 LEU A 133 29.784 45.207 2.799 1.00 24.98 C +ATOM 971 N LYS A 134 26.978 41.599 5.876 1.00 11.21 N +ATOM 972 CA LYS A 134 26.905 40.364 6.620 1.00 11.21 C +ATOM 973 C LYS A 134 26.042 39.312 5.923 1.00 13.31 C +ATOM 974 O LYS A 134 26.440 38.161 5.781 1.00 11.75 O +ATOM 975 CB LYS A 134 26.315 40.630 8.024 1.00 14.03 C +ATOM 976 CG LYS A 134 27.168 41.443 8.918 1.00 21.95 C +ATOM 977 CD LYS A 134 28.512 40.862 9.188 1.00 39.66 C +ATOM 978 CE LYS A 134 29.222 41.603 10.379 1.00 44.99 C +ATOM 979 NZ LYS A 134 30.384 42.309 9.818 1.00 53.34 N +ATOM 980 N THR A 135 24.844 39.690 5.471 1.00 12.68 N +ATOM 981 CA THR A 135 23.871 38.721 4.978 1.00 12.91 C +ATOM 982 C THR A 135 23.286 39.068 3.634 1.00 11.83 C +ATOM 983 O THR A 135 22.433 38.306 3.085 1.00 14.76 O +ATOM 984 CB THR A 135 22.669 38.627 5.980 1.00 15.28 C +ATOM 985 OG1 THR A 135 21.976 39.862 5.991 1.00 15.06 O +ATOM 986 CG2 THR A 135 23.106 38.271 7.366 1.00 18.33 C +ATOM 987 N GLY A 136 23.574 40.249 3.109 1.00 11.21 N +ATOM 988 CA GLY A 136 22.924 40.735 1.888 1.00 12.08 C +ATOM 989 C GLY A 136 21.471 41.107 2.105 1.00 12.33 C +ATOM 990 O GLY A 136 20.730 41.297 1.112 1.00 13.71 O +ATOM 991 N ASN A 137 20.989 41.281 3.329 1.00 12.56 N +ATOM 992 CA ASN A 137 19.607 41.651 3.597 1.00 13.15 C +ATOM 993 C ASN A 137 18.639 40.676 2.991 1.00 10.75 C +ATOM 994 O ASN A 137 17.511 41.040 2.611 1.00 15.89 O +ATOM 995 CB ASN A 137 19.280 43.097 3.159 1.00 13.87 C +ATOM 996 CG ASN A 137 19.949 44.125 4.040 1.00 16.63 C +ATOM 997 OD1 ASN A 137 19.570 44.245 5.254 1.00 19.77 O +ATOM 998 ND2 ASN A 137 20.916 44.887 3.583 1.00 16.13 N +ATOM 999 N ALA A 138 19.018 39.385 2.955 1.00 12.62 N +ATOM 1000 CA ALA A 138 18.205 38.350 2.365 1.00 10.79 C +ATOM 1001 C ALA A 138 17.063 37.878 3.208 1.00 12.00 C +ATOM 1002 O ALA A 138 16.196 37.070 2.799 1.00 13.80 O +ATOM 1003 CB ALA A 138 19.057 37.192 1.880 1.00 13.99 C +ATOM 1004 N GLY A 139 16.992 38.336 4.488 1.00 15.70 N +ATOM 1005 CA GLY A 139 15.864 37.967 5.303 1.00 15.81 C +ATOM 1006 C GLY A 139 15.803 36.555 5.761 1.00 13.27 C +ATOM 1007 O GLY A 139 16.801 35.845 6.002 1.00 15.31 O +ATOM 1008 N GLY A 140 14.586 36.059 5.987 1.00 14.40 N +ATOM 1009 CA GLY A 140 14.287 34.806 6.557 1.00 15.28 C +ATOM 1010 C GLY A 140 14.795 33.592 5.766 1.00 11.10 C +ATOM 1011 O GLY A 140 15.196 33.690 4.617 1.00 13.28 O +ATOM 1012 N ARG A 141 14.796 32.480 6.427 1.00 11.75 N +ATOM 1013 CA ARG A 141 15.295 31.210 5.927 1.00 10.24 C +ATOM 1014 C ARG A 141 14.065 30.332 5.626 1.00 10.90 C +ATOM 1015 O ARG A 141 13.388 29.842 6.541 1.00 15.08 O +ATOM 1016 CB ARG A 141 16.216 30.592 6.967 1.00 11.97 C +ATOM 1017 CG ARG A 141 17.359 31.530 7.330 1.00 11.93 C +ATOM 1018 CD ARG A 141 18.219 30.945 8.461 1.00 14.04 C +ATOM 1019 NE ARG A 141 19.206 31.937 8.869 1.00 14.61 N +ATOM 1020 CZ ARG A 141 20.293 31.727 9.567 1.00 10.20 C +ATOM 1021 NH1 ARG A 141 20.681 30.514 9.956 1.00 14.06 N +ATOM 1022 NH2 ARG A 141 21.087 32.797 9.876 1.00 14.81 N +ATOM 1023 N LEU A 142 13.725 30.225 4.359 1.00 10.19 N +ATOM 1024 CA LEU A 142 12.552 29.497 3.981 1.00 9.73 C +ATOM 1025 C LEU A 142 12.682 28.001 4.039 1.00 9.63 C +ATOM 1026 O LEU A 142 11.728 27.286 4.352 1.00 13.55 O +ATOM 1027 CB LEU A 142 12.117 29.904 2.574 1.00 15.24 C +ATOM 1028 CG LEU A 142 11.763 31.368 2.353 1.00 16.40 C +ATOM 1029 CD1 LEU A 142 11.460 31.616 0.878 1.00 22.44 C +ATOM 1030 CD2 LEU A 142 10.674 31.848 3.250 1.00 27.87 C +ATOM 1031 N ALA A 143 13.850 27.506 3.659 1.00 10.45 N +ATOM 1032 CA ALA A 143 14.144 26.097 3.683 1.00 9.03 C +ATOM 1033 C ALA A 143 15.657 25.875 3.767 1.00 8.44 C +ATOM 1034 O ALA A 143 16.412 26.755 3.331 1.00 10.85 O +ATOM 1035 CB ALA A 143 13.563 25.337 2.510 1.00 10.82 C +ATOM 1036 N CYS A 144 16.042 24.721 4.239 1.00 9.68 N +ATOM 1037 CA CYS A 144 17.449 24.428 4.390 1.00 9.08 C +ATOM 1038 C CYS A 144 17.668 22.916 4.482 1.00 7.53 C +ATOM 1039 O CYS A 144 16.728 22.167 4.719 1.00 9.99 O +ATOM 1040 CB CYS A 144 18.018 25.132 5.613 1.00 10.90 C +ATOM 1041 SG CYS A 144 17.172 24.663 7.161 1.00 13.43 S +ATOM 1042 N GLY A 145 18.892 22.491 4.292 1.00 9.73 N +ATOM 1043 CA GLY A 145 19.259 21.060 4.467 1.00 9.97 C +ATOM 1044 C GLY A 145 20.747 20.917 4.696 1.00 7.59 C +ATOM 1045 O GLY A 145 21.528 21.726 4.164 1.00 9.52 O +ATOM 1046 N VAL A 146 21.144 19.840 5.328 1.00 8.82 N +ATOM 1047 CA VAL A 146 22.547 19.499 5.542 1.00 8.16 C +ATOM 1048 C VAL A 146 23.093 18.799 4.327 1.00 7.85 C +ATOM 1049 O VAL A 146 22.458 17.874 3.791 1.00 10.90 O +ATOM 1050 CB VAL A 146 22.712 18.658 6.833 1.00 8.07 C +ATOM 1051 CG1 VAL A 146 24.156 18.389 7.180 1.00 10.96 C +ATOM 1052 CG2 VAL A 146 22.018 19.396 7.977 1.00 12.71 C +ATOM 1053 N ILE A 147 24.262 19.185 3.878 1.00 8.39 N +ATOM 1054 CA ILE A 147 24.938 18.661 2.712 1.00 7.51 C +ATOM 1055 C ILE A 147 25.698 17.379 3.048 1.00 7.84 C +ATOM 1056 O ILE A 147 26.556 17.367 3.922 1.00 9.54 O +ATOM 1057 CB ILE A 147 25.876 19.744 2.094 1.00 8.05 C +ATOM 1058 CG1 ILE A 147 25.039 21.016 1.659 1.00 9.74 C +ATOM 1059 CG2 ILE A 147 26.649 19.228 0.921 1.00 11.06 C +ATOM 1060 CD1 ILE A 147 25.935 22.210 1.409 1.00 14.50 C +ATOM 1061 N GLY A 148 25.396 16.288 2.341 1.00 8.43 N +ATOM 1062 CA GLY A 148 26.002 14.981 2.536 1.00 8.50 C +ATOM 1063 C GLY A 148 26.526 14.326 1.256 1.00 9.06 C +ATOM 1064 O GLY A 148 26.250 14.737 0.126 1.00 10.98 O +ATOM 1065 N TYR A 149 27.313 13.262 1.438 1.00 7.40 N +ATOM 1066 CA TYR A 149 27.845 12.527 0.281 1.00 8.88 C +ATOM 1067 C TYR A 149 26.726 11.800 -0.435 1.00 8.54 C +ATOM 1068 O TYR A 149 25.778 11.319 0.141 1.00 10.77 O +ATOM 1069 CB TYR A 149 28.880 11.486 0.740 1.00 10.70 C +ATOM 1070 CG TYR A 149 30.142 12.097 1.330 1.00 10.33 C +ATOM 1071 CD1 TYR A 149 31.112 12.623 0.484 1.00 15.69 C +ATOM 1072 CD2 TYR A 149 30.394 12.125 2.670 1.00 12.52 C +ATOM 1073 CE1 TYR A 149 32.261 13.188 0.986 1.00 19.40 C +ATOM 1074 CE2 TYR A 149 31.566 12.676 3.211 1.00 12.68 C +ATOM 1075 CZ TYR A 149 32.492 13.201 2.357 1.00 13.83 C +ATOM 1076 OH TYR A 149 33.653 13.788 2.824 1.00 21.55 O +ATOM 1077 N SER A 150 26.871 11.746 -1.757 1.00 9.79 N +ATOM 1078 CA SER A 150 25.902 11.045 -2.603 1.00 11.41 C +ATOM 1079 C SER A 150 26.649 10.063 -3.515 1.00 12.35 C +ATOM 1080 O SER A 150 27.783 10.306 -3.894 1.00 15.16 O +ATOM 1081 CB ASER A 150 25.379 12.176 -3.609 0.50 9.94 C +ATOM 1082 CB BSER A 150 24.819 11.986 -3.314 0.50 11.56 C +ATOM 1083 OG ASER A 150 24.314 11.629 -4.329 0.50 16.66 O +ATOM 1084 OG BSER A 150 25.446 12.513 -4.439 0.50 19.80 O +ATOM 1085 N PRO A 151 25.912 9.057 -3.984 1.00 14.30 N +ATOM 1086 CA PRO A 151 26.453 8.174 -4.997 1.00 18.96 C +ATOM 1087 C PRO A 151 26.462 8.847 -6.390 1.00 20.59 C +ATOM 1088 O PRO A 151 25.838 9.888 -6.529 1.00 24.71 O +ATOM 1089 CB PRO A 151 25.456 7.005 -5.038 1.00 20.08 C +ATOM 1090 CG PRO A 151 24.205 7.552 -4.465 1.00 19.70 C +ATOM 1091 CD PRO A 151 24.608 8.654 -3.524 1.00 13.86 C +ATOM 1092 OXT PRO A 151 27.086 8.292 -7.280 1.00 33.20 O +TER 1093 PRO A 151 +ATOM 1094 N VAL B 2 35.805 19.041 18.426 1.00 22.90 N +ATOM 1095 CA VAL B 2 34.826 19.254 17.339 1.00 20.95 C +ATOM 1096 C VAL B 2 33.517 18.602 17.772 1.00 14.86 C +ATOM 1097 O VAL B 2 33.551 17.571 18.462 1.00 17.01 O +ATOM 1098 CB VAL B 2 35.285 18.694 15.994 1.00 26.54 C +ATOM 1099 CG1 VAL B 2 35.864 17.334 16.071 1.00 45.28 C +ATOM 1100 CG2 VAL B 2 34.295 18.836 14.853 1.00 29.09 C +ATOM 1101 N LYS B 3 32.421 19.179 17.344 1.00 13.91 N +ATOM 1102 CA LYS B 3 31.102 18.685 17.632 1.00 11.65 C +ATOM 1103 C LYS B 3 30.253 18.524 16.394 1.00 11.36 C +ATOM 1104 O LYS B 3 30.421 19.290 15.436 1.00 10.84 O +ATOM 1105 CB LYS B 3 30.393 19.599 18.641 1.00 15.94 C +ATOM 1106 CG LYS B 3 30.948 19.612 20.013 1.00 23.30 C +ATOM 1107 CD LYS B 3 30.079 20.402 21.000 1.00 29.42 C +ATOM 1108 CE LYS B 3 30.925 21.114 21.996 1.00 40.36 C +ATOM 1109 NZ LYS B 3 30.227 22.245 22.672 0.00 35.51 N +ATOM 1110 N ALA B 4 29.367 17.553 16.410 1.00 9.54 N +ATOM 1111 CA ALA B 4 28.451 17.288 15.298 1.00 7.94 C +ATOM 1112 C ALA B 4 27.090 16.876 15.860 1.00 8.83 C +ATOM 1113 O ALA B 4 26.965 16.564 17.051 1.00 9.48 O +ATOM 1114 CB ALA B 4 28.974 16.242 14.350 1.00 10.57 C +ATOM 1115 N VAL B 5 26.079 16.885 14.997 1.00 8.83 N +ATOM 1116 CA VAL B 5 24.686 16.588 15.374 1.00 8.78 C +ATOM 1117 C VAL B 5 23.969 16.005 14.172 1.00 9.25 C +ATOM 1118 O VAL B 5 24.335 16.257 13.044 1.00 10.86 O +ATOM 1119 CB VAL B 5 23.982 17.879 15.867 1.00 10.17 C +ATOM 1120 CG1 VAL B 5 23.763 18.899 14.740 1.00 14.21 C +ATOM 1121 CG2 VAL B 5 22.685 17.620 16.633 1.00 14.81 C +ATOM 1122 N CYS B 6 22.891 15.281 14.462 1.00 9.57 N +ATOM 1123 CA CYS B 6 21.949 14.877 13.415 1.00 10.64 C +ATOM 1124 C CYS B 6 20.561 14.793 14.026 1.00 8.60 C +ATOM 1125 O CYS B 6 20.407 14.484 15.194 1.00 11.24 O +ATOM 1126 CB ACYS B 6 22.337 13.655 12.647 0.50 11.39 C +ATOM 1127 CB BCYS B 6 22.307 13.433 13.593 0.50 15.42 C +ATOM 1128 SG ACYS B 6 22.249 12.163 13.673 0.50 10.91 S +ATOM 1129 SG BCYS B 6 21.757 12.322 12.290 0.50 15.87 S +ATOM 1130 N VAL B 7 19.623 15.179 13.201 1.00 8.46 N +ATOM 1131 CA VAL B 7 18.192 15.086 13.516 1.00 8.77 C +ATOM 1132 C VAL B 7 17.663 13.880 12.725 1.00 8.98 C +ATOM 1133 O VAL B 7 17.790 13.814 11.540 1.00 10.86 O +ATOM 1134 CB VAL B 7 17.463 16.368 13.121 1.00 11.93 C +ATOM 1135 CG1 VAL B 7 15.958 16.218 13.282 1.00 18.55 C +ATOM 1136 CG2 VAL B 7 17.978 17.534 13.984 1.00 23.06 C +ATOM 1137 N LEU B 8 17.087 12.955 13.487 1.00 10.14 N +ATOM 1138 CA LEU B 8 16.585 11.695 12.875 1.00 10.64 C +ATOM 1139 C LEU B 8 15.103 11.841 12.544 1.00 11.11 C +ATOM 1140 O LEU B 8 14.324 12.266 13.445 1.00 14.35 O +ATOM 1141 CB ALEU B 8 16.685 10.590 13.942 0.50 8.98 C +ATOM 1142 CB BLEU B 8 16.891 10.307 13.454 0.50 12.59 C +ATOM 1143 CG ALEU B 8 18.064 10.177 14.393 0.50 9.02 C +ATOM 1144 CG BLEU B 8 18.340 10.004 13.772 0.50 12.79 C +ATOM 1145 CD1ALEU B 8 18.018 9.151 15.500 0.50 11.66 C +ATOM 1146 CD1BLEU B 8 18.897 10.775 14.925 0.50 18.87 C +ATOM 1147 CD2ALEU B 8 19.004 9.812 13.282 0.50 11.29 C +ATOM 1148 CD2BLEU B 8 18.615 8.527 13.813 0.50 19.68 C +ATOM 1149 N ALA B 9 14.697 11.473 11.345 1.00 12.35 N +ATOM 1150 CA ALA B 9 13.303 11.489 10.910 1.00 11.95 C +ATOM 1151 C ALA B 9 13.104 10.327 9.897 1.00 11.34 C +ATOM 1152 O ALA B 9 14.039 9.843 9.325 1.00 14.01 O +ATOM 1153 CB ALA B 9 12.879 12.784 10.295 1.00 18.38 C +ATOM 1154 N GLY B 10 11.834 9.944 9.787 1.00 13.92 N +ATOM 1155 CA GLY B 10 11.485 8.860 8.908 1.00 17.40 C +ATOM 1156 C GLY B 10 10.134 8.939 8.342 1.00 19.17 C +ATOM 1157 O GLY B 10 9.490 10.002 8.356 1.00 33.73 O +ATOM 1158 N SER B 11 9.603 7.828 7.835 1.00 25.33 N +ATOM 1159 CA SER B 11 8.220 7.937 7.270 1.00 29.45 C +ATOM 1160 C SER B 11 7.159 7.632 8.311 1.00 31.83 C +ATOM 1161 O SER B 11 5.939 7.651 7.975 1.00 43.46 O +ATOM 1162 CB SER B 11 8.118 6.981 6.097 1.00 37.78 C +ATOM 1163 OG SER B 11 8.322 5.647 6.510 1.00 55.41 O +ATOM 1164 N GLY B 12 7.547 7.355 9.536 1.00 30.98 N +ATOM 1165 CA GLY B 12 6.552 7.080 10.628 1.00 29.62 C +ATOM 1166 C GLY B 12 6.711 8.058 11.759 1.00 29.64 C +ATOM 1167 O GLY B 12 7.152 9.214 11.537 1.00 32.07 O +ATOM 1168 N ASP B 13 6.459 7.659 12.990 1.00 29.14 N +ATOM 1169 CA ASP B 13 6.545 8.511 14.152 1.00 30.25 C +ATOM 1170 C ASP B 13 7.841 8.396 14.930 1.00 23.05 C +ATOM 1171 O ASP B 13 7.976 8.953 16.048 1.00 24.71 O +ATOM 1172 CB ASP B 13 5.336 8.235 15.043 1.00 36.77 C +ATOM 1173 CG ASP B 13 4.033 8.345 14.290 1.00 43.22 C +ATOM 1174 OD1 ASP B 13 3.728 9.448 13.791 1.00 62.61 O +ATOM 1175 OD2 ASP B 13 3.309 7.331 14.183 0.00 45.72 O +ATOM 1176 N VAL B 14 8.845 7.747 14.367 1.00 18.57 N +ATOM 1177 CA VAL B 14 10.146 7.676 15.061 1.00 15.38 C +ATOM 1178 C VAL B 14 10.932 8.928 14.757 1.00 14.33 C +ATOM 1179 O VAL B 14 11.104 9.266 13.561 1.00 15.78 O +ATOM 1180 CB VAL B 14 10.936 6.419 14.668 1.00 14.92 C +ATOM 1181 CG1 VAL B 14 12.290 6.370 15.339 1.00 15.22 C +ATOM 1182 CG2 VAL B 14 10.120 5.164 15.012 1.00 17.24 C +ATOM 1183 N LYS B 15 11.480 9.563 15.781 1.00 13.68 N +ATOM 1184 CA LYS B 15 12.261 10.785 15.624 1.00 16.17 C +ATOM 1185 C LYS B 15 13.231 10.906 16.792 1.00 11.27 C +ATOM 1186 O LYS B 15 13.020 10.334 17.821 1.00 15.59 O +ATOM 1187 CB LYS B 15 11.333 12.002 15.583 1.00 21.05 C +ATOM 1188 CG LYS B 15 10.469 12.238 16.760 1.00 30.21 C +ATOM 1189 CD LYS B 15 9.467 13.390 16.510 1.00 39.53 C +ATOM 1190 CE LYS B 15 9.446 14.322 17.710 0.00 38.56 C +ATOM 1191 NZ LYS B 15 8.715 15.587 17.417 0.00 39.49 N +ATOM 1192 N GLY B 16 14.259 11.729 16.596 1.00 11.82 N +ATOM 1193 CA GLY B 16 15.196 11.996 17.625 1.00 12.97 C +ATOM 1194 C GLY B 16 16.355 12.881 17.257 1.00 10.26 C +ATOM 1195 O GLY B 16 16.420 13.421 16.136 1.00 12.45 O +ATOM 1196 N VAL B 17 17.298 13.044 18.182 1.00 10.96 N +ATOM 1197 CA VAL B 17 18.457 13.879 18.007 1.00 9.04 C +ATOM 1198 C VAL B 17 19.658 13.118 18.600 1.00 11.44 C +ATOM 1199 O VAL B 17 19.557 12.560 19.692 1.00 14.98 O +ATOM 1200 CB VAL B 17 18.288 15.251 18.678 1.00 13.50 C +ATOM 1201 CG1 VAL B 17 19.502 16.123 18.558 1.00 17.18 C +ATOM 1202 CG2 VAL B 17 17.090 16.002 18.108 1.00 20.25 C +ATOM 1203 N VAL B 18 20.770 13.161 17.906 1.00 9.96 N +ATOM 1204 CA VAL B 18 22.012 12.543 18.334 1.00 7.88 C +ATOM 1205 C VAL B 18 23.140 13.584 18.243 1.00 8.71 C +ATOM 1206 O VAL B 18 23.284 14.210 17.211 1.00 12.05 O +ATOM 1207 CB VAL B 18 22.368 11.315 17.529 1.00 10.93 C +ATOM 1208 CG1 VAL B 18 23.638 10.625 18.033 1.00 13.44 C +ATOM 1209 CG2 VAL B 18 21.198 10.325 17.515 1.00 18.17 C +ATOM 1210 N HIS B 19 23.916 13.702 19.282 1.00 9.93 N +ATOM 1211 CA HIS B 19 25.062 14.561 19.425 1.00 9.29 C +ATOM 1212 C HIS B 19 26.366 13.749 19.441 1.00 8.50 C +ATOM 1213 O HIS B 19 26.409 12.668 20.031 1.00 12.76 O +ATOM 1214 CB HIS B 19 24.996 15.427 20.688 1.00 12.81 C +ATOM 1215 CG HIS B 19 23.810 16.312 20.701 1.00 19.55 C +ATOM 1216 ND1 HIS B 19 23.897 17.622 20.251 1.00 24.11 N +ATOM 1217 CD2 HIS B 19 22.556 16.137 21.208 1.00 25.44 C +ATOM 1218 CE1 HIS B 19 22.723 18.181 20.377 1.00 27.18 C +ATOM 1219 NE2 HIS B 19 21.897 17.308 20.959 1.00 29.89 N +ATOM 1220 N PHE B 20 27.373 14.314 18.761 1.00 9.44 N +ATOM 1221 CA PHE B 20 28.687 13.689 18.713 1.00 8.99 C +ATOM 1222 C PHE B 20 29.744 14.721 19.163 1.00 9.75 C +ATOM 1223 O PHE B 20 29.653 15.893 18.800 1.00 13.72 O +ATOM 1224 CB PHE B 20 29.080 13.275 17.252 1.00 10.74 C +ATOM 1225 CG PHE B 20 28.100 12.359 16.568 1.00 9.68 C +ATOM 1226 CD1 PHE B 20 26.926 12.878 15.987 1.00 11.95 C +ATOM 1227 CD2 PHE B 20 28.284 10.994 16.542 1.00 11.24 C +ATOM 1228 CE1 PHE B 20 26.017 12.018 15.408 1.00 13.21 C +ATOM 1229 CE2 PHE B 20 27.387 10.145 15.895 1.00 12.53 C +ATOM 1230 CZ PHE B 20 26.264 10.662 15.296 1.00 14.25 C +ATOM 1231 N GLU B 21 30.719 14.246 19.929 1.00 10.74 N +ATOM 1232 CA GLU B 21 31.844 15.149 20.306 1.00 10.03 C +ATOM 1233 C GLU B 21 33.155 14.386 20.294 1.00 9.03 C +ATOM 1234 O GLU B 21 33.234 13.215 20.676 1.00 12.07 O +ATOM 1235 CB GLU B 21 31.550 15.738 21.690 1.00 16.76 C +ATOM 1236 CG GLU B 21 32.559 16.741 22.152 1.00 25.27 C +ATOM 1237 CD GLU B 21 32.153 17.501 23.400 1.00 38.65 C +ATOM 1238 OE1 GLU B 21 31.083 17.177 24.001 1.00 50.07 O +ATOM 1239 OE2 GLU B 21 32.897 18.426 23.769 1.00 50.75 O +ATOM 1240 N GLN B 22 34.213 15.071 19.901 1.00 11.57 N +ATOM 1241 CA GLN B 22 35.532 14.432 19.876 1.00 12.98 C +ATOM 1242 C GLN B 22 36.577 15.467 20.281 1.00 15.74 C +ATOM 1243 O GLN B 22 36.620 16.554 19.733 1.00 18.79 O +ATOM 1244 CB GLN B 22 35.847 13.899 18.482 1.00 13.06 C +ATOM 1245 CG GLN B 22 37.158 13.106 18.411 1.00 14.33 C +ATOM 1246 CD GLN B 22 37.437 12.631 16.996 1.00 14.32 C +ATOM 1247 OE1 GLN B 22 36.961 13.289 16.048 1.00 16.55 O +ATOM 1248 NE2 GLN B 22 38.169 11.521 16.862 1.00 13.73 N +ATOM 1249 N GLN B 23 37.424 15.088 21.212 1.00 20.03 N +ATOM 1250 CA GLN B 23 38.526 15.910 21.640 1.00 25.37 C +ATOM 1251 C GLN B 23 39.824 15.253 21.126 1.00 28.31 C +ATOM 1252 O GLN B 23 39.928 14.006 21.218 1.00 26.57 O +ATOM 1253 CB GLN B 23 38.567 16.125 23.129 1.00 32.82 C +ATOM 1254 CG GLN B 23 37.443 15.480 23.918 0.00 32.44 C +ATOM 1255 CD GLN B 23 37.065 16.275 25.152 0.00 32.70 C +ATOM 1256 OE1 GLN B 23 35.904 16.638 25.339 0.00 32.56 O +ATOM 1257 NE2 GLN B 23 38.047 16.548 26.002 0.00 32.94 N +ATOM 1258 N ASP B 24 40.676 16.061 20.599 1.00 36.92 N +ATOM 1259 CA ASP B 24 41.949 15.578 20.028 1.00 43.41 C +ATOM 1260 C ASP B 24 41.622 14.441 19.077 1.00 42.29 C +ATOM 1261 O ASP B 24 40.658 14.533 18.264 1.00 49.89 O +ATOM 1262 CB ASP B 24 42.787 15.111 21.234 1.00 44.85 C +ATOM 1263 CG ASP B 24 42.379 15.810 22.514 0.00 44.42 C +ATOM 1264 OD1 ASP B 24 42.634 17.026 22.636 0.00 44.37 O +ATOM 1265 OD2 ASP B 24 41.803 15.145 23.400 0.00 44.45 O +ATOM 1266 N GLU B 25 42.365 13.335 19.081 1.00 35.22 N +ATOM 1267 CA GLU B 25 41.898 12.293 18.102 1.00 25.83 C +ATOM 1268 C GLU B 25 41.429 11.092 18.930 1.00 21.26 C +ATOM 1269 O GLU B 25 41.716 9.953 18.595 1.00 24.67 O +ATOM 1270 CB GLU B 25 43.134 11.795 17.287 1.00 34.79 C +ATOM 1271 CG GLU B 25 43.974 12.865 16.708 1.00 47.28 C +ATOM 1272 CD GLU B 25 43.817 13.202 15.262 1.00 59.22 C +ATOM 1273 OE1 GLU B 25 42.816 13.869 14.892 1.00 74.44 O +ATOM 1274 OE2 GLU B 25 44.748 12.909 14.456 1.00 73.45 O +ATOM 1275 N GLY B 25A 40.724 11.395 20.004 1.00 20.45 N +ATOM 1276 CA GLY B 25A 40.296 10.335 20.928 1.00 18.96 C +ATOM 1277 C GLY B 25A 38.970 9.728 20.493 1.00 13.74 C +ATOM 1278 O GLY B 25A 38.420 10.008 19.422 1.00 16.32 O +ATOM 1279 N ALA B 26 38.452 8.889 21.384 1.00 13.31 N +ATOM 1280 CA ALA B 26 37.155 8.261 21.133 1.00 13.48 C +ATOM 1281 C ALA B 26 36.067 9.336 21.011 1.00 12.22 C +ATOM 1282 O ALA B 26 36.102 10.371 21.653 1.00 17.59 O +ATOM 1283 CB ALA B 26 36.798 7.337 22.323 1.00 16.26 C +ATOM 1284 N VAL B 27 35.102 9.033 20.153 1.00 10.77 N +ATOM 1285 CA VAL B 27 33.970 9.944 19.949 1.00 10.07 C +ATOM 1286 C VAL B 27 32.856 9.541 20.945 1.00 9.71 C +ATOM 1287 O VAL B 27 32.538 8.362 21.102 1.00 11.46 O +ATOM 1288 CB VAL B 27 33.427 9.814 18.543 1.00 10.84 C +ATOM 1289 CG1 VAL B 27 32.195 10.661 18.274 1.00 11.17 C +ATOM 1290 CG2 VAL B 27 34.530 10.139 17.499 1.00 11.48 C +ATOM 1291 N SER B 28 32.359 10.571 21.626 1.00 9.80 N +ATOM 1292 CA SER B 28 31.202 10.375 22.538 1.00 11.83 C +ATOM 1293 C SER B 28 29.949 10.643 21.722 1.00 12.42 C +ATOM 1294 O SER B 28 29.833 11.635 20.993 1.00 14.08 O +ATOM 1295 CB ASER B 28 31.335 11.485 23.631 0.50 16.44 C +ATOM 1296 CB BSER B 28 31.355 11.279 23.807 0.50 17.09 C +ATOM 1297 OG ASER B 28 32.380 11.093 24.523 0.50 21.44 O +ATOM 1298 OG BSER B 28 30.137 11.176 24.557 0.50 24.72 O +ATOM 1299 N VAL B 29 28.993 9.737 21.832 1.00 10.57 N +ATOM 1300 CA VAL B 29 27.727 9.794 21.123 1.00 11.65 C +ATOM 1301 C VAL B 29 26.580 9.765 22.148 1.00 12.65 C +ATOM 1302 O VAL B 29 26.481 8.839 22.962 1.00 18.35 O +ATOM 1303 CB VAL B 29 27.571 8.542 20.228 1.00 12.88 C +ATOM 1304 CG1 VAL B 29 26.270 8.650 19.427 1.00 20.91 C +ATOM 1305 CG2 VAL B 29 28.822 8.348 19.359 1.00 17.23 C +ATOM 1306 N GLU B 30 25.778 10.776 22.136 1.00 10.06 N +ATOM 1307 CA GLU B 30 24.683 10.890 23.113 1.00 11.54 C +ATOM 1308 C GLU B 30 23.401 11.235 22.360 1.00 9.92 C +ATOM 1309 O GLU B 30 23.375 12.168 21.559 1.00 13.32 O +ATOM 1310 CB GLU B 30 24.982 11.977 24.136 1.00 19.75 C +ATOM 1311 CG GLU B 30 24.039 12.328 25.190 1.00 35.85 C +ATOM 1312 CD GLU B 30 24.662 12.899 26.466 1.00 45.37 C +ATOM 1313 OE1 GLU B 30 25.690 13.608 26.378 1.00 61.74 O +ATOM 1314 OE2 GLU B 30 24.113 12.632 27.550 0.00 45.75 O +ATOM 1315 N GLY B 31 22.350 10.427 22.555 1.00 12.33 N +ATOM 1316 CA GLY B 31 21.134 10.650 21.867 1.00 14.97 C +ATOM 1317 C GLY B 31 19.888 10.226 22.614 1.00 10.89 C +ATOM 1318 O GLY B 31 19.902 9.575 23.629 1.00 13.03 O +ATOM 1319 N LYS B 32 18.792 10.652 22.007 1.00 10.11 N +ATOM 1320 CA LYS B 32 17.451 10.304 22.478 1.00 11.62 C +ATOM 1321 C LYS B 32 16.587 10.077 21.233 1.00 10.96 C +ATOM 1322 O LYS B 32 16.452 10.968 20.372 1.00 13.71 O +ATOM 1323 CB LYS B 32 16.900 11.485 23.316 1.00 16.26 C +ATOM 1324 CG LYS B 32 15.553 11.268 23.941 1.00 22.22 C +ATOM 1325 CD LYS B 32 15.073 12.409 24.837 1.00 28.34 C +ATOM 1326 CE LYS B 32 13.557 12.590 24.788 1.00 37.68 C +ATOM 1327 NZ LYS B 32 13.189 13.957 24.324 0.00 37.58 N +ATOM 1328 N ILE B 33 15.980 8.932 21.149 1.00 11.84 N +ATOM 1329 CA ILE B 33 15.079 8.546 20.058 1.00 11.23 C +ATOM 1330 C ILE B 33 13.737 8.076 20.599 1.00 11.92 C +ATOM 1331 O ILE B 33 13.711 7.302 21.537 1.00 14.58 O +ATOM 1332 CB ILE B 33 15.720 7.432 19.205 1.00 12.10 C +ATOM 1333 CG1 ILE B 33 17.156 7.814 18.800 1.00 13.36 C +ATOM 1334 CG2 ILE B 33 14.820 7.134 18.008 1.00 15.84 C +ATOM 1335 CD1 ILE B 33 17.928 6.664 18.136 1.00 15.01 C +ATOM 1336 N GLU B 34 12.664 8.659 20.065 1.00 12.60 N +ATOM 1337 CA GLU B 34 11.321 8.388 20.455 1.00 15.36 C +ATOM 1338 C GLU B 34 10.518 7.661 19.394 1.00 12.82 C +ATOM 1339 O GLU B 34 10.859 7.703 18.212 1.00 16.29 O +ATOM 1340 CB GLU B 34 10.547 9.694 20.817 1.00 21.93 C +ATOM 1341 CG GLU B 34 11.304 10.636 21.719 1.00 33.97 C +ATOM 1342 CD GLU B 34 10.817 12.065 21.600 1.00 46.26 C +ATOM 1343 OE1 GLU B 34 9.654 12.265 21.156 1.00 59.91 O +ATOM 1344 OE2 GLU B 34 11.570 12.997 21.953 1.00 63.14 O +ATOM 1345 N GLY B 35 9.498 6.925 19.864 1.00 14.11 N +ATOM 1346 CA GLY B 35 8.628 6.169 19.012 1.00 16.02 C +ATOM 1347 C GLY B 35 9.026 4.760 18.686 1.00 14.75 C +ATOM 1348 O GLY B 35 8.483 4.111 17.756 1.00 19.77 O +ATOM 1349 N LEU B 36 9.889 4.156 19.521 1.00 16.02 N +ATOM 1350 CA LEU B 36 10.409 2.840 19.221 1.00 13.98 C +ATOM 1351 C LEU B 36 9.676 1.770 20.053 1.00 13.32 C +ATOM 1352 O LEU B 36 9.315 1.970 21.192 1.00 17.54 O +ATOM 1353 CB LEU B 36 11.909 2.790 19.683 1.00 15.12 C +ATOM 1354 CG LEU B 36 12.872 3.608 18.852 1.00 11.72 C +ATOM 1355 CD1 LEU B 36 14.269 3.683 19.519 1.00 17.04 C +ATOM 1356 CD2 LEU B 36 13.006 3.059 17.458 1.00 14.04 C +ATOM 1357 N THR B 37 9.608 0.587 19.475 1.00 14.22 N +ATOM 1358 CA THR B 37 9.164 -0.594 20.184 1.00 13.20 C +ATOM 1359 C THR B 37 10.205 -0.986 21.236 1.00 11.21 C +ATOM 1360 O THR B 37 11.370 -0.806 21.045 1.00 12.97 O +ATOM 1361 CB THR B 37 8.907 -1.789 19.235 1.00 15.58 C +ATOM 1362 OG1 THR B 37 10.105 -2.055 18.513 1.00 20.00 O +ATOM 1363 CG2 THR B 37 7.838 -1.389 18.217 1.00 22.06 C +ATOM 1364 N ASP B 38 9.755 -1.577 22.335 1.00 12.57 N +ATOM 1365 CA ASP B 38 10.669 -1.947 23.384 1.00 13.35 C +ATOM 1366 C ASP B 38 11.677 -2.995 22.893 1.00 11.38 C +ATOM 1367 O ASP B 38 11.331 -3.917 22.185 1.00 17.42 O +ATOM 1368 CB ASP B 38 9.893 -2.631 24.519 1.00 19.02 C +ATOM 1369 CG ASP B 38 8.960 -1.790 25.292 1.00 24.09 C +ATOM 1370 OD1 ASP B 38 9.041 -0.577 25.321 1.00 29.42 O +ATOM 1371 OD2 ASP B 38 8.066 -2.418 25.985 1.00 41.67 O +ATOM 1372 N GLY B 39 12.884 -2.874 23.396 1.00 10.70 N +ATOM 1373 CA GLY B 39 13.926 -3.790 23.105 1.00 11.44 C +ATOM 1374 C GLY B 39 15.044 -3.187 22.293 1.00 11.36 C +ATOM 1375 O GLY B 39 15.239 -1.968 22.286 1.00 11.55 O +ATOM 1376 N LEU B 40 15.826 -4.070 21.709 1.00 12.11 N +ATOM 1377 CA LEU B 40 17.059 -3.664 20.997 1.00 11.32 C +ATOM 1378 C LEU B 40 16.749 -3.206 19.577 1.00 10.72 C +ATOM 1379 O LEU B 40 15.938 -3.793 18.846 1.00 12.18 O +ATOM 1380 CB LEU B 40 17.992 -4.895 20.901 1.00 13.17 C +ATOM 1381 CG LEU B 40 18.584 -5.436 22.180 1.00 17.48 C +ATOM 1382 CD1 LEU B 40 19.310 -6.742 21.934 1.00 24.46 C +ATOM 1383 CD2 LEU B 40 19.516 -4.450 22.861 1.00 22.67 C +ATOM 1384 N HIS B 41 17.468 -2.163 19.155 1.00 8.42 N +ATOM 1385 CA HIS B 41 17.395 -1.640 17.783 1.00 9.65 C +ATOM 1386 C HIS B 41 18.816 -1.336 17.291 1.00 8.23 C +ATOM 1387 O HIS B 41 19.551 -0.592 17.956 1.00 9.96 O +ATOM 1388 CB HIS B 41 16.595 -0.301 17.732 1.00 11.65 C +ATOM 1389 CG HIS B 41 15.137 -0.542 18.023 1.00 8.96 C +ATOM 1390 ND1 HIS B 41 14.213 -0.817 17.028 1.00 10.76 N +ATOM 1391 CD2 HIS B 41 14.489 -0.619 19.242 1.00 11.60 C +ATOM 1392 CE1 HIS B 41 13.027 -1.019 17.640 1.00 12.58 C +ATOM 1393 NE2 HIS B 41 13.176 -0.919 18.948 1.00 12.08 N +ATOM 1394 N GLY B 42 19.162 -1.813 16.098 1.00 8.55 N +ATOM 1395 CA GLY B 42 20.451 -1.504 15.555 1.00 7.43 C +ATOM 1396 C GLY B 42 20.663 -0.022 15.332 1.00 8.11 C +ATOM 1397 O GLY B 42 19.738 0.664 14.903 1.00 9.46 O +ATOM 1398 N PHE B 43 21.869 0.455 15.542 1.00 8.39 N +ATOM 1399 CA PHE B 43 22.196 1.884 15.356 1.00 7.19 C +ATOM 1400 C PHE B 43 23.542 1.936 14.620 1.00 7.61 C +ATOM 1401 O PHE B 43 24.585 1.561 15.172 1.00 9.46 O +ATOM 1402 CB PHE B 43 22.298 2.566 16.719 1.00 12.03 C +ATOM 1403 CG PHE B 43 22.543 4.067 16.613 1.00 12.96 C +ATOM 1404 CD1 PHE B 43 21.539 4.901 16.114 1.00 16.45 C +ATOM 1405 CD2 PHE B 43 23.769 4.604 17.014 1.00 17.35 C +ATOM 1406 CE1 PHE B 43 21.759 6.278 16.019 1.00 18.01 C +ATOM 1407 CE2 PHE B 43 23.990 5.982 16.920 1.00 21.11 C +ATOM 1408 CZ PHE B 43 22.985 6.819 16.423 1.00 18.38 C +ATOM 1409 N HIS B 44 23.501 2.389 13.377 1.00 7.40 N +ATOM 1410 CA HIS B 44 24.700 2.399 12.518 1.00 7.19 C +ATOM 1411 C HIS B 44 24.851 3.684 11.716 1.00 6.10 C +ATOM 1412 O HIS B 44 23.901 4.465 11.570 1.00 8.81 O +ATOM 1413 CB HIS B 44 24.627 1.301 11.447 1.00 10.27 C +ATOM 1414 CG HIS B 44 24.122 -0.046 11.958 1.00 7.47 C +ATOM 1415 ND1 HIS B 44 23.116 -0.749 11.301 1.00 9.15 N +ATOM 1416 CD2 HIS B 44 24.479 -0.802 13.027 1.00 9.95 C +ATOM 1417 CE1 HIS B 44 22.899 -1.870 11.963 1.00 9.84 C +ATOM 1418 NE2 HIS B 44 23.705 -1.917 12.995 1.00 9.52 N +ATOM 1419 N ILE B 45 26.066 3.837 11.220 1.00 6.87 N +ATOM 1420 CA ILE B 45 26.430 4.934 10.322 1.00 6.59 C +ATOM 1421 C ILE B 45 26.535 4.365 8.909 1.00 8.17 C +ATOM 1422 O ILE B 45 27.416 3.540 8.616 1.00 8.64 O +ATOM 1423 CB ILE B 45 27.777 5.556 10.710 1.00 7.67 C +ATOM 1424 CG1 ILE B 45 27.837 6.020 12.166 1.00 10.16 C +ATOM 1425 CG2 ILE B 45 28.121 6.793 9.870 1.00 10.67 C +ATOM 1426 CD1 ILE B 45 26.716 6.995 12.532 1.00 12.08 C +ATOM 1427 N HIS B 46 25.615 4.810 8.079 1.00 6.99 N +ATOM 1428 CA HIS B 46 25.555 4.397 6.675 1.00 7.15 C +ATOM 1429 C HIS B 46 26.331 5.401 5.855 1.00 8.43 C +ATOM 1430 O HIS B 46 26.552 6.551 6.276 1.00 9.48 O +ATOM 1431 CB HIS B 46 24.095 4.266 6.242 1.00 8.14 C +ATOM 1432 CG HIS B 46 23.436 3.007 6.820 1.00 7.85 C +ATOM 1433 ND1 HIS B 46 22.874 2.027 6.006 1.00 9.06 N +ATOM 1434 CD2 HIS B 46 23.259 2.579 8.101 1.00 9.26 C +ATOM 1435 CE1 HIS B 46 22.393 1.070 6.782 1.00 11.14 C +ATOM 1436 NE2 HIS B 46 22.614 1.384 8.033 1.00 8.66 N +ATOM 1437 N VAL B 47 26.859 4.978 4.718 1.00 7.38 N +ATOM 1438 CA VAL B 47 27.869 5.674 3.959 1.00 7.86 C +ATOM 1439 C VAL B 47 27.487 6.987 3.386 1.00 9.04 C +ATOM 1440 O VAL B 47 28.283 7.968 3.402 1.00 10.24 O +ATOM 1441 CB VAL B 47 28.520 4.784 2.895 1.00 9.19 C +ATOM 1442 CG1 VAL B 47 27.593 4.227 1.871 1.00 12.95 C +ATOM 1443 CG2 VAL B 47 29.789 5.352 2.305 1.00 14.97 C +ATOM 1444 N PHE B 48 26.315 7.101 2.768 1.00 8.74 N +ATOM 1445 CA PHE B 48 25.975 8.342 2.094 1.00 7.62 C +ATOM 1446 C PHE B 48 25.077 9.226 2.956 1.00 8.06 C +ATOM 1447 O PHE B 48 24.263 8.761 3.735 1.00 16.11 O +ATOM 1448 CB PHE B 48 25.187 8.024 0.776 1.00 9.10 C +ATOM 1449 CG PHE B 48 25.984 7.216 -0.223 1.00 12.10 C +ATOM 1450 CD1 PHE B 48 27.199 7.664 -0.658 1.00 14.35 C +ATOM 1451 CD2 PHE B 48 25.511 5.983 -0.718 1.00 13.77 C +ATOM 1452 CE1 PHE B 48 27.946 6.983 -1.581 1.00 18.06 C +ATOM 1453 CE2 PHE B 48 26.260 5.287 -1.624 1.00 17.58 C +ATOM 1454 CZ PHE B 48 27.510 5.760 -2.055 1.00 18.50 C +ATOM 1455 N GLY B 49 25.204 10.495 2.762 1.00 9.25 N +ATOM 1456 CA GLY B 49 24.404 11.532 3.346 1.00 9.43 C +ATOM 1457 C GLY B 49 23.296 11.948 2.361 1.00 8.43 C +ATOM 1458 O GLY B 49 23.096 13.165 2.202 1.00 13.04 O +ATOM 1459 N ASP B 50 22.648 11.003 1.773 1.00 9.27 N +ATOM 1460 CA ASP B 50 21.645 11.206 0.681 1.00 9.94 C +ATOM 1461 C ASP B 50 20.271 10.766 1.183 1.00 10.82 C +ATOM 1462 O ASP B 50 20.001 9.580 1.402 1.00 11.90 O +ATOM 1463 CB ASP B 50 22.041 10.407 -0.529 1.00 11.88 C +ATOM 1464 CG ASP B 50 21.102 10.573 -1.726 1.00 11.92 C +ATOM 1465 OD1 ASP B 50 19.989 11.085 -1.504 1.00 13.45 O +ATOM 1466 OD2 ASP B 50 21.483 10.190 -2.839 1.00 16.98 O +ATOM 1467 N ASN B 51 19.439 11.790 1.435 1.00 11.93 N +ATOM 1468 CA ASN B 51 18.090 11.474 1.961 1.00 13.48 C +ATOM 1469 C ASN B 51 17.045 11.811 0.955 1.00 11.24 C +ATOM 1470 O ASN B 51 15.844 12.012 1.144 1.00 13.95 O +ATOM 1471 CB AASN B 51 17.967 11.896 3.389 0.50 20.42 C +ATOM 1472 CB BASN B 51 17.735 12.619 2.883 0.50 15.02 C +ATOM 1473 CG AASN B 51 18.821 11.278 4.438 0.50 28.77 C +ATOM 1474 CG BASN B 51 16.740 12.364 3.969 0.50 21.44 C +ATOM 1475 OD1AASN B 51 19.557 10.225 4.357 0.50 31.72 O +ATOM 1476 OD1BASN B 51 16.405 11.206 4.455 0.50 25.30 O +ATOM 1477 ND2AASN B 51 18.777 11.836 5.679 0.50 29.09 N +ATOM 1478 ND2BASN B 51 15.803 13.327 4.177 0.50 25.93 N +ATOM 1479 N THR B 52 17.478 11.779 -0.356 1.00 11.65 N +ATOM 1480 CA THR B 52 16.560 12.015 -1.428 1.00 13.25 C +ATOM 1481 C THR B 52 15.464 10.923 -1.574 1.00 15.47 C +ATOM 1482 O THR B 52 14.393 11.253 -2.129 1.00 20.79 O +ATOM 1483 CB THR B 52 17.201 12.196 -2.799 1.00 13.83 C +ATOM 1484 OG1 THR B 52 17.965 11.043 -3.158 1.00 16.98 O +ATOM 1485 CG2 THR B 52 18.088 13.433 -2.841 1.00 19.03 C +ATOM 1486 N ASN B 53 15.730 9.705 -1.242 1.00 15.41 N +ATOM 1487 CA ASN B 53 14.708 8.602 -1.242 1.00 15.79 C +ATOM 1488 C ASN B 53 14.539 8.155 0.218 1.00 16.88 C +ATOM 1489 O ASN B 53 14.546 7.008 0.536 1.00 20.75 O +ATOM 1490 CB ASN B 53 15.212 7.449 -2.094 1.00 19.72 C +ATOM 1491 CG ASN B 53 14.224 6.505 -2.609 1.00 31.95 C +ATOM 1492 OD1 ASN B 53 13.012 6.741 -2.501 1.00 39.79 O +ATOM 1493 ND2 ASN B 53 14.710 5.370 -3.201 1.00 38.88 N +ATOM 1494 N GLY B 54 14.405 9.185 1.098 1.00 16.47 N +ATOM 1495 CA GLY B 54 14.324 8.863 2.510 1.00 17.39 C +ATOM 1496 C GLY B 54 15.580 8.152 2.979 1.00 15.45 C +ATOM 1497 O GLY B 54 16.685 8.349 2.508 1.00 17.59 O +ATOM 1498 N CYS B 55 15.388 7.204 3.943 1.00 12.00 N +ATOM 1499 CA CYS B 55 16.543 6.468 4.433 1.00 11.65 C +ATOM 1500 C CYS B 55 17.090 5.444 3.453 1.00 11.60 C +ATOM 1501 O CYS B 55 18.168 4.886 3.688 1.00 12.39 O +ATOM 1502 CB CYS B 55 16.226 5.843 5.774 1.00 13.15 C +ATOM 1503 SG CYS B 55 15.599 6.994 7.047 1.00 13.45 S +ATOM 1504 N MET B 56 16.311 5.116 2.415 1.00 13.08 N +ATOM 1505 CA MET B 56 16.693 4.088 1.469 1.00 13.16 C +ATOM 1506 C MET B 56 17.813 4.498 0.544 1.00 12.70 C +ATOM 1507 O MET B 56 18.412 3.611 -0.093 1.00 20.23 O +ATOM 1508 CB MET B 56 15.500 3.509 0.740 1.00 24.62 C +ATOM 1509 CG MET B 56 14.461 2.853 1.732 1.00 36.19 C +ATOM 1510 SD MET B 56 15.196 1.702 2.925 1.00 66.92 S +ATOM 1511 CE MET B 56 16.019 0.565 1.772 1.00117.91 C +ATOM 1512 N SER B 57 18.160 5.782 0.490 1.00 10.10 N +ATOM 1513 CA SER B 57 19.255 6.265 -0.251 1.00 11.85 C +ATOM 1514 C SER B 57 20.556 6.392 0.531 1.00 10.32 C +ATOM 1515 O SER B 57 21.567 6.845 -0.088 1.00 12.49 O +ATOM 1516 CB SER B 57 18.951 7.544 -0.996 1.00 12.36 C +ATOM 1517 OG SER B 57 18.131 8.396 -0.300 1.00 13.98 O +ATOM 1518 N ALA B 58 20.600 6.019 1.782 1.00 8.53 N +ATOM 1519 CA ALA B 58 21.786 6.171 2.615 1.00 8.49 C +ATOM 1520 C ALA B 58 22.895 5.191 2.315 1.00 9.16 C +ATOM 1521 O ALA B 58 23.975 5.324 2.889 1.00 10.68 O +ATOM 1522 CB ALA B 58 21.384 6.143 4.061 1.00 11.60 C +ATOM 1523 N GLY B 59 22.667 4.176 1.491 1.00 9.13 N +ATOM 1524 CA GLY B 59 23.661 3.194 1.139 1.00 10.46 C +ATOM 1525 C GLY B 59 23.853 2.183 2.262 1.00 9.03 C +ATOM 1526 O GLY B 59 23.067 2.115 3.213 1.00 10.05 O +ATOM 1527 N SER B 60 24.903 1.392 2.148 1.00 9.35 N +ATOM 1528 CA SER B 60 25.254 0.396 3.133 1.00 10.25 C +ATOM 1529 C SER B 60 26.080 0.982 4.266 1.00 9.38 C +ATOM 1530 O SER B 60 26.241 2.206 4.364 1.00 10.41 O +ATOM 1531 CB SER B 60 25.915 -0.806 2.438 1.00 16.52 C +ATOM 1532 OG SER B 60 26.984 -0.426 1.635 1.00 28.98 O +ATOM 1533 N HIS B 61 26.600 0.168 5.179 1.00 7.37 N +ATOM 1534 CA HIS B 61 27.404 0.698 6.270 1.00 7.17 C +ATOM 1535 C HIS B 61 28.686 1.322 5.817 1.00 8.41 C +ATOM 1536 O HIS B 61 29.357 0.799 4.900 1.00 11.13 O +ATOM 1537 CB HIS B 61 27.675 -0.407 7.294 1.00 7.61 C +ATOM 1538 CG HIS B 61 26.440 -0.878 7.988 1.00 8.43 C +ATOM 1539 ND1 HIS B 61 26.366 -1.968 8.820 1.00 8.38 N +ATOM 1540 CD2 HIS B 61 25.223 -0.250 8.031 1.00 10.48 C +ATOM 1541 CE1 HIS B 61 25.127 -2.052 9.301 1.00 13.14 C +ATOM 1542 NE2 HIS B 61 24.435 -0.996 8.832 1.00 10.05 N +ATOM 1543 N PHE B 62 29.089 2.406 6.500 1.00 7.71 N +ATOM 1544 CA PHE B 62 30.393 3.029 6.227 1.00 8.28 C +ATOM 1545 C PHE B 62 31.489 1.999 6.516 1.00 7.77 C +ATOM 1546 O PHE B 62 31.624 1.514 7.647 1.00 9.00 O +ATOM 1547 CB PHE B 62 30.529 4.281 7.068 1.00 9.20 C +ATOM 1548 CG PHE B 62 31.809 5.074 6.848 1.00 9.22 C +ATOM 1549 CD1 PHE B 62 32.348 5.203 5.572 1.00 10.80 C +ATOM 1550 CD2 PHE B 62 32.471 5.664 7.906 1.00 11.72 C +ATOM 1551 CE1 PHE B 62 33.466 5.970 5.397 1.00 12.90 C +ATOM 1552 CE2 PHE B 62 33.608 6.444 7.733 1.00 14.52 C +ATOM 1553 CZ PHE B 62 34.121 6.556 6.461 1.00 13.35 C +ATOM 1554 N ASN B 63 32.282 1.615 5.546 1.00 9.51 N +ATOM 1555 CA ASN B 63 33.191 0.499 5.582 1.00 11.12 C +ATOM 1556 C ASN B 63 34.463 0.714 4.805 1.00 12.10 C +ATOM 1557 O ASN B 63 34.777 -0.055 3.872 1.00 14.34 O +ATOM 1558 CB ASN B 63 32.440 -0.756 5.077 1.00 12.18 C +ATOM 1559 CG ASN B 63 33.171 -2.050 5.246 1.00 11.73 C +ATOM 1560 OD1 ASN B 63 34.081 -2.181 6.058 1.00 12.68 O +ATOM 1561 ND2 ASN B 63 32.784 -3.074 4.458 1.00 13.71 N +ATOM 1562 N PRO B 64 35.252 1.735 5.114 1.00 11.17 N +ATOM 1563 CA PRO B 64 36.478 1.997 4.311 1.00 14.58 C +ATOM 1564 C PRO B 64 37.482 0.918 4.355 1.00 16.66 C +ATOM 1565 O PRO B 64 38.346 0.828 3.474 1.00 21.29 O +ATOM 1566 CB PRO B 64 36.988 3.308 4.840 1.00 17.28 C +ATOM 1567 CG PRO B 64 36.454 3.305 6.265 1.00 16.27 C +ATOM 1568 CD PRO B 64 35.085 2.696 6.176 1.00 15.08 C +ATOM 1569 N GLU B 65 37.466 0.041 5.345 1.00 16.34 N +ATOM 1570 CA GLU B 65 38.471 -1.006 5.447 1.00 19.60 C +ATOM 1571 C GLU B 65 38.044 -2.306 4.781 1.00 20.30 C +ATOM 1572 O GLU B 65 38.791 -3.283 4.797 1.00 26.96 O +ATOM 1573 CB GLU B 65 38.864 -1.264 6.909 1.00 22.51 C +ATOM 1574 CG GLU B 65 39.429 -0.106 7.668 1.00 20.95 C +ATOM 1575 CD GLU B 65 40.777 0.372 7.125 1.00 24.39 C +ATOM 1576 OE1 GLU B 65 41.546 -0.477 6.692 1.00 30.79 O +ATOM 1577 OE2 GLU B 65 41.005 1.612 7.203 1.00 37.00 O +ATOM 1578 N ASN B 66 36.819 -2.383 4.212 1.00 17.51 N +ATOM 1579 CA ASN B 66 36.364 -3.582 3.540 1.00 20.52 C +ATOM 1580 C ASN B 66 36.264 -4.815 4.432 1.00 17.18 C +ATOM 1581 O ASN B 66 36.616 -5.957 4.048 1.00 21.73 O +ATOM 1582 CB ASN B 66 37.188 -3.872 2.312 1.00 29.81 C +ATOM 1583 CG ASN B 66 37.419 -2.688 1.415 1.00 41.54 C +ATOM 1584 OD1 ASN B 66 36.509 -2.260 0.701 1.00 73.59 O +ATOM 1585 ND2 ASN B 66 38.629 -2.133 1.431 0.00 46.23 N +ATOM 1586 N LYS B 67 35.746 -4.582 5.624 1.00 16.40 N +ATOM 1587 CA LYS B 67 35.570 -5.683 6.567 1.00 16.91 C +ATOM 1588 C LYS B 67 34.158 -6.183 6.586 1.00 15.06 C +ATOM 1589 O LYS B 67 33.239 -5.639 5.943 1.00 15.64 O +ATOM 1590 CB LYS B 67 36.070 -5.253 7.973 1.00 18.31 C +ATOM 1591 CG LYS B 67 37.615 -5.054 7.920 1.00 26.39 C +ATOM 1592 CD LYS B 67 38.263 -5.043 9.243 1.00 30.26 C +ATOM 1593 CE LYS B 67 39.790 -4.991 9.196 1.00 37.10 C +ATOM 1594 NZ LYS B 67 40.373 -5.389 10.492 1.00 46.61 N +ATOM 1595 N ASN B 68 33.929 -7.236 7.379 1.00 15.86 N +ATOM 1596 CA ASN B 68 32.621 -7.746 7.620 1.00 13.55 C +ATOM 1597 C ASN B 68 31.949 -6.965 8.757 1.00 11.52 C +ATOM 1598 O ASN B 68 32.618 -6.291 9.539 1.00 14.29 O +ATOM 1599 CB ASN B 68 32.714 -9.235 8.009 1.00 13.50 C +ATOM 1600 CG ASN B 68 33.185 -10.105 6.902 1.00 17.32 C +ATOM 1601 OD1 ASN B 68 34.017 -11.006 7.139 1.00 37.30 O +ATOM 1602 ND2 ASN B 68 32.652 -9.947 5.728 1.00 21.80 N +ATOM 1603 N HIS B 69 30.610 -7.086 8.785 1.00 11.61 N +ATOM 1604 CA HIS B 69 29.818 -6.533 9.881 1.00 8.76 C +ATOM 1605 C HIS B 69 30.068 -7.344 11.171 1.00 10.40 C +ATOM 1606 O HIS B 69 30.187 -8.532 11.157 1.00 13.61 O +ATOM 1607 CB HIS B 69 28.312 -6.684 9.533 1.00 8.68 C +ATOM 1608 CG HIS B 69 27.404 -6.063 10.543 1.00 8.33 C +ATOM 1609 ND1 HIS B 69 27.133 -4.676 10.560 1.00 8.36 N +ATOM 1610 CD2 HIS B 69 26.735 -6.641 11.573 1.00 9.93 C +ATOM 1611 CE1 HIS B 69 26.336 -4.458 11.618 1.00 9.74 C +ATOM 1612 NE2 HIS B 69 26.086 -5.639 12.204 1.00 9.58 N +ATOM 1613 N GLY B 70 30.170 -6.559 12.270 1.00 9.35 N +ATOM 1614 CA GLY B 70 30.366 -7.142 13.566 1.00 11.06 C +ATOM 1615 C GLY B 70 29.892 -6.261 14.704 1.00 11.96 C +ATOM 1616 O GLY B 70 29.196 -5.257 14.499 1.00 12.80 O +ATOM 1617 N ALA B 71 30.276 -6.646 15.920 1.00 12.10 N +ATOM 1618 CA ALA B 71 29.959 -5.870 17.106 1.00 9.96 C +ATOM 1619 C ALA B 71 30.938 -4.693 17.241 1.00 9.74 C +ATOM 1620 O ALA B 71 32.055 -4.778 16.723 1.00 11.63 O +ATOM 1621 CB ALA B 71 30.071 -6.730 18.325 1.00 13.76 C +ATOM 1622 N PRO B 72 30.581 -3.666 18.002 1.00 10.08 N +ATOM 1623 CA PRO B 72 31.532 -2.565 18.244 1.00 11.20 C +ATOM 1624 C PRO B 72 32.814 -3.013 18.882 1.00 12.23 C +ATOM 1625 O PRO B 72 33.877 -2.438 18.620 1.00 12.30 O +ATOM 1626 CB PRO B 72 30.759 -1.608 19.129 1.00 16.90 C +ATOM 1627 CG PRO B 72 29.376 -1.997 19.107 1.00 16.66 C +ATOM 1628 CD PRO B 72 29.238 -3.342 18.492 1.00 13.62 C +ATOM 1629 N GLY B 73 32.808 -4.092 19.657 1.00 13.52 N +ATOM 1630 CA GLY B 73 33.990 -4.632 20.268 1.00 13.75 C +ATOM 1631 C GLY B 73 34.797 -5.578 19.457 1.00 13.51 C +ATOM 1632 O GLY B 73 35.823 -6.048 19.941 1.00 17.76 O +ATOM 1633 N ASP B 74 34.389 -5.956 18.238 1.00 13.36 N +ATOM 1634 CA ASP B 74 35.129 -6.873 17.388 1.00 13.02 C +ATOM 1635 C ASP B 74 36.178 -6.099 16.569 1.00 14.74 C +ATOM 1636 O ASP B 74 35.983 -4.964 16.219 1.00 15.87 O +ATOM 1637 CB ASP B 74 34.153 -7.496 16.347 1.00 13.70 C +ATOM 1638 CG ASP B 74 33.180 -8.469 16.982 1.00 13.40 C +ATOM 1639 OD1 ASP B 74 33.501 -9.002 18.092 1.00 22.26 O +ATOM 1640 OD2 ASP B 74 32.175 -8.834 16.384 1.00 16.42 O +ATOM 1641 N THR B 75 37.302 -6.782 16.238 1.00 15.77 N +ATOM 1642 CA THR B 75 38.229 -6.151 15.297 1.00 19.59 C +ATOM 1643 C THR B 75 37.709 -6.277 13.876 1.00 18.26 C +ATOM 1644 O THR B 75 38.020 -5.428 13.049 1.00 21.47 O +ATOM 1645 CB THR B 75 39.654 -6.687 15.415 1.00 27.72 C +ATOM 1646 OG1 THR B 75 39.653 -8.114 15.313 1.00 34.98 O +ATOM 1647 CG2 THR B 75 40.147 -6.415 16.857 1.00 35.05 C +ATOM 1648 N ASP B 76 36.926 -7.302 13.559 1.00 15.81 N +ATOM 1649 CA ASP B 76 36.318 -7.429 12.222 1.00 12.97 C +ATOM 1650 C ASP B 76 34.906 -6.804 12.321 1.00 11.83 C +ATOM 1651 O ASP B 76 33.969 -7.466 12.686 1.00 14.33 O +ATOM 1652 CB ASP B 76 36.215 -8.845 11.745 1.00 17.64 C +ATOM 1653 CG ASP B 76 35.896 -9.082 10.302 1.00 27.44 C +ATOM 1654 OD1 ASP B 76 35.964 -8.166 9.459 1.00 26.93 O +ATOM 1655 OD2 ASP B 76 35.570 -10.278 9.922 1.00 30.63 O +ATOM 1656 N ARG B 77 34.859 -5.527 12.062 1.00 11.48 N +ATOM 1657 CA ARG B 77 33.610 -4.757 12.075 1.00 8.79 C +ATOM 1658 C ARG B 77 33.697 -3.660 11.034 1.00 9.54 C +ATOM 1659 O ARG B 77 34.829 -3.267 10.652 1.00 11.02 O +ATOM 1660 CB ARG B 77 33.360 -4.100 13.478 1.00 11.64 C +ATOM 1661 CG ARG B 77 34.486 -3.181 13.873 1.00 10.39 C +ATOM 1662 CD ARG B 77 34.147 -2.310 15.050 1.00 12.01 C +ATOM 1663 NE ARG B 77 33.402 -1.107 14.746 1.00 10.45 N +ATOM 1664 CZ ARG B 77 33.349 -0.050 15.543 1.00 8.70 C +ATOM 1665 NH1 ARG B 77 33.683 -0.114 16.820 1.00 9.89 N +ATOM 1666 NH2 ARG B 77 32.854 1.110 15.047 1.00 10.63 N +ATOM 1667 N HIS B 78 32.569 -3.119 10.618 1.00 9.40 N +ATOM 1668 CA HIS B 78 32.600 -1.905 9.800 1.00 9.01 C +ATOM 1669 C HIS B 78 32.854 -0.675 10.708 1.00 9.34 C +ATOM 1670 O HIS B 78 32.463 -0.675 11.884 1.00 9.60 O +ATOM 1671 CB HIS B 78 31.168 -1.684 9.208 1.00 9.71 C +ATOM 1672 CG HIS B 78 30.688 -2.795 8.343 1.00 10.12 C +ATOM 1673 ND1 HIS B 78 29.379 -3.205 8.253 1.00 9.66 N +ATOM 1674 CD2 HIS B 78 31.450 -3.548 7.439 1.00 11.54 C +ATOM 1675 CE1 HIS B 78 29.325 -4.157 7.297 1.00 9.48 C +ATOM 1676 NE2 HIS B 78 30.544 -4.372 6.805 1.00 12.08 N +ATOM 1677 N VAL B 79 33.459 0.364 10.174 1.00 8.32 N +ATOM 1678 CA VAL B 79 33.613 1.607 10.951 1.00 8.10 C +ATOM 1679 C VAL B 79 32.255 2.085 11.452 1.00 8.09 C +ATOM 1680 O VAL B 79 32.095 2.527 12.592 1.00 9.80 O +ATOM 1681 CB VAL B 79 34.288 2.704 10.071 1.00 9.99 C +ATOM 1682 CG1 VAL B 79 34.258 4.054 10.831 1.00 11.68 C +ATOM 1683 CG2 VAL B 79 35.795 2.381 9.835 1.00 13.01 C +ATOM 1684 N GLY B 80 31.176 1.901 10.644 1.00 8.25 N +ATOM 1685 CA GLY B 80 29.868 2.311 11.109 1.00 8.60 C +ATOM 1686 C GLY B 80 29.062 1.444 12.021 1.00 7.68 C +ATOM 1687 O GLY B 80 27.898 1.817 12.350 1.00 8.60 O +ATOM 1688 N ASP B 81 29.645 0.368 12.581 1.00 7.80 N +ATOM 1689 CA ASP B 81 28.976 -0.582 13.436 1.00 7.28 C +ATOM 1690 C ASP B 81 28.987 -0.191 14.907 1.00 6.70 C +ATOM 1691 O ASP B 81 29.866 -0.540 15.660 1.00 11.69 O +ATOM 1692 CB ASP B 81 29.608 -1.952 13.278 1.00 8.62 C +ATOM 1693 CG ASP B 81 29.348 -2.559 11.900 1.00 7.13 C +ATOM 1694 OD1 ASP B 81 28.449 -2.043 11.178 1.00 7.84 O +ATOM 1695 OD2 ASP B 81 29.976 -3.586 11.593 1.00 8.57 O +ATOM 1696 N LEU B 82 27.915 0.548 15.327 1.00 7.86 N +ATOM 1697 CA LEU B 82 27.716 1.030 16.640 1.00 7.82 C +ATOM 1698 C LEU B 82 26.851 0.181 17.515 1.00 10.13 C +ATOM 1699 O LEU B 82 26.478 0.574 18.632 1.00 13.06 O +ATOM 1700 CB LEU B 82 27.355 2.509 16.642 1.00 7.82 C +ATOM 1701 CG LEU B 82 28.262 3.478 15.969 1.00 11.37 C +ATOM 1702 CD1 LEU B 82 27.711 4.905 16.040 1.00 15.49 C +ATOM 1703 CD2 LEU B 82 29.701 3.466 16.488 1.00 20.47 C +ATOM 1704 N GLY B 83 26.496 -1.025 17.036 1.00 8.74 N +ATOM 1705 CA GLY B 83 25.709 -1.975 17.835 1.00 9.34 C +ATOM 1706 C GLY B 83 24.259 -1.644 18.002 1.00 8.89 C +ATOM 1707 O GLY B 83 23.619 -1.273 17.022 1.00 13.02 O +ATOM 1708 N ASN B 84 23.702 -1.855 19.192 1.00 9.82 N +ATOM 1709 CA ASN B 84 22.343 -1.661 19.512 1.00 9.06 C +ATOM 1710 C ASN B 84 22.121 -0.580 20.580 1.00 9.60 C +ATOM 1711 O ASN B 84 22.923 -0.390 21.468 1.00 14.17 O +ATOM 1712 CB ASN B 84 21.711 -2.972 20.051 1.00 10.69 C +ATOM 1713 CG ASN B 84 21.580 -4.049 19.022 1.00 9.89 C +ATOM 1714 OD1 ASN B 84 20.815 -3.892 18.058 1.00 12.41 O +ATOM 1715 ND2 ASN B 84 22.268 -5.181 19.240 1.00 13.27 N +ATOM 1716 N VAL B 85 20.962 0.081 20.447 1.00 10.18 N +ATOM 1717 CA VAL B 85 20.408 0.897 21.487 1.00 9.80 C +ATOM 1718 C VAL B 85 19.164 0.208 22.052 1.00 8.66 C +ATOM 1719 O VAL B 85 18.523 -0.579 21.362 1.00 11.99 O +ATOM 1720 CB VAL B 85 20.124 2.337 21.087 1.00 12.13 C +ATOM 1721 CG1 VAL B 85 21.425 3.022 20.562 1.00 15.50 C +ATOM 1722 CG2 VAL B 85 19.022 2.422 20.010 1.00 14.82 C +ATOM 1723 N THR B 86 18.850 0.478 23.307 1.00 10.35 N +ATOM 1724 CA THR B 86 17.733 -0.200 23.989 1.00 10.74 C +ATOM 1725 C THR B 86 16.600 0.793 24.227 1.00 11.15 C +ATOM 1726 O THR B 86 16.844 1.839 24.866 1.00 14.25 O +ATOM 1727 CB THR B 86 18.186 -0.790 25.343 1.00 12.44 C +ATOM 1728 OG1 THR B 86 19.231 -1.729 25.124 1.00 17.40 O +ATOM 1729 CG2 THR B 86 17.036 -1.454 26.048 1.00 19.01 C +ATOM 1730 N ALA B 87 15.418 0.461 23.774 1.00 10.10 N +ATOM 1731 CA ALA B 87 14.237 1.287 24.011 1.00 11.56 C +ATOM 1732 C ALA B 87 13.419 0.751 25.178 1.00 12.15 C +ATOM 1733 O ALA B 87 13.231 -0.472 25.262 1.00 13.44 O +ATOM 1734 CB ALA B 87 13.362 1.405 22.778 1.00 13.13 C +ATOM 1735 N GLU B 88 12.963 1.682 26.014 1.00 11.24 N +ATOM 1736 CA GLU B 88 12.077 1.400 27.142 1.00 12.36 C +ATOM 1737 C GLU B 88 10.997 2.506 27.206 1.00 13.32 C +ATOM 1738 O GLU B 88 11.314 3.658 27.135 1.00 15.53 O +ATOM 1739 CB GLU B 88 12.864 1.448 28.465 1.00 17.68 C +ATOM 1740 CG GLU B 88 13.864 0.430 28.671 1.00 17.01 C +ATOM 1741 CD GLU B 88 14.649 0.476 29.978 1.00 20.19 C +ATOM 1742 OE1 GLU B 88 14.553 1.515 30.678 1.00 27.39 O +ATOM 1743 OE2 GLU B 88 15.437 -0.458 30.210 1.00 24.82 O +ATOM 1744 N GLY B 90 9.713 2.092 27.328 1.00 17.82 N +ATOM 1745 CA GLY B 90 8.634 3.054 27.357 1.00 21.21 C +ATOM 1746 C GLY B 90 8.628 3.941 26.125 1.00 22.66 C +ATOM 1747 O GLY B 90 8.224 5.107 26.192 1.00 25.34 O +ATOM 1748 N GLY B 91 9.083 3.400 25.000 1.00 18.93 N +ATOM 1749 CA GLY B 91 9.083 4.101 23.745 1.00 18.08 C +ATOM 1750 C GLY B 91 10.315 4.885 23.420 1.00 14.59 C +ATOM 1751 O GLY B 91 10.405 5.465 22.285 1.00 21.62 O +ATOM 1752 N VAL B 92 11.226 5.015 24.353 1.00 13.80 N +ATOM 1753 CA VAL B 92 12.367 5.898 24.211 1.00 12.52 C +ATOM 1754 C VAL B 92 13.667 5.149 24.409 1.00 12.37 C +ATOM 1755 O VAL B 92 13.797 4.385 25.362 1.00 13.13 O +ATOM 1756 CB AVAL B 92 12.287 7.003 25.296 0.50 10.80 C +ATOM 1757 CB BVAL B 92 12.514 7.322 24.749 0.50 15.72 C +ATOM 1758 CG1AVAL B 92 13.356 8.075 25.034 0.50 10.71 C +ATOM 1759 CG1BVAL B 92 11.200 8.084 24.765 0.50 18.30 C +ATOM 1760 CG2AVAL B 92 10.939 7.588 25.438 0.50 19.00 C +ATOM 1761 CG2BVAL B 92 13.309 7.469 25.962 0.50 20.59 C +ATOM 1762 N ALA B 93 14.644 5.485 23.537 1.00 12.02 N +ATOM 1763 CA ALA B 93 16.013 5.057 23.716 1.00 10.62 C +ATOM 1764 C ALA B 93 16.878 6.289 24.049 1.00 12.00 C +ATOM 1765 O ALA B 93 16.936 7.182 23.237 1.00 15.04 O +ATOM 1766 CB ALA B 93 16.617 4.382 22.470 1.00 14.24 C +ATOM 1767 N GLN B 94 17.444 6.293 25.237 1.00 13.98 N +ATOM 1768 CA GLN B 94 18.323 7.439 25.627 1.00 14.08 C +ATOM 1769 C GLN B 94 19.638 6.765 26.017 1.00 12.31 C +ATOM 1770 O GLN B 94 19.680 5.846 26.811 1.00 20.67 O +ATOM 1771 CB GLN B 94 17.704 8.133 26.871 1.00 20.34 C +ATOM 1772 CG GLN B 94 18.379 9.412 27.258 1.00 36.83 C +ATOM 1773 CD GLN B 94 17.566 10.307 28.164 1.00 51.52 C +ATOM 1774 OE1 GLN B 94 16.392 10.036 28.489 1.00 54.63 O +ATOM 1775 NE2 GLN B 94 18.199 11.387 28.645 1.00 64.33 N +ATOM 1776 N PHE B 95 20.684 7.199 25.280 1.00 13.23 N +ATOM 1777 CA PHE B 95 21.935 6.487 25.358 1.00 13.93 C +ATOM 1778 C PHE B 95 23.144 7.374 25.289 1.00 11.56 C +ATOM 1779 O PHE B 95 23.055 8.507 24.804 1.00 12.51 O +ATOM 1780 CB PHE B 95 21.974 5.404 24.260 1.00 16.31 C +ATOM 1781 CG PHE B 95 21.862 6.003 22.878 1.00 14.04 C +ATOM 1782 CD1 PHE B 95 20.636 6.242 22.304 1.00 15.39 C +ATOM 1783 CD2 PHE B 95 23.010 6.308 22.136 1.00 18.31 C +ATOM 1784 CE1 PHE B 95 20.523 6.779 21.046 1.00 18.85 C +ATOM 1785 CE2 PHE B 95 22.931 6.802 20.894 1.00 20.96 C +ATOM 1786 CZ PHE B 95 21.687 7.051 20.311 1.00 22.18 C +ATOM 1787 N LYS B 96 24.264 6.857 25.801 1.00 13.91 N +ATOM 1788 CA LYS B 96 25.544 7.519 25.803 1.00 16.51 C +ATOM 1789 C LYS B 96 26.583 6.423 25.552 1.00 16.81 C +ATOM 1790 O LYS B 96 26.752 5.516 26.339 1.00 30.51 O +ATOM 1791 CB LYS B 96 25.803 8.210 27.141 1.00 24.41 C +ATOM 1792 CG LYS B 96 27.150 8.940 27.177 1.00 37.98 C +ATOM 1793 CD LYS B 96 27.239 9.974 28.298 0.00 37.59 C +ATOM 1794 CE LYS B 96 28.677 10.355 28.650 0.00 37.52 C +ATOM 1795 NZ LYS B 96 28.774 11.648 29.341 0.00 37.60 N +ATOM 1796 N ILE B 97 27.210 6.484 24.367 1.00 13.87 N +ATOM 1797 CA ILE B 97 28.227 5.537 24.045 1.00 16.06 C +ATOM 1798 C ILE B 97 29.492 6.230 23.560 1.00 11.37 C +ATOM 1799 O ILE B 97 29.538 7.402 23.240 1.00 16.42 O +ATOM 1800 CB ILE B 97 27.754 4.466 23.095 1.00 19.72 C +ATOM 1801 CG1 ILE B 97 27.432 5.061 21.712 1.00 18.56 C +ATOM 1802 CG2 ILE B 97 26.421 3.807 23.578 1.00 30.84 C +ATOM 1803 CD1 ILE B 97 27.507 4.071 20.625 1.00 38.25 C +ATOM 1804 N THR B 98 30.585 5.436 23.537 1.00 12.22 N +ATOM 1805 CA THR B 98 31.806 5.885 22.953 1.00 11.07 C +ATOM 1806 C THR B 98 32.243 4.923 21.852 1.00 9.83 C +ATOM 1807 O THR B 98 31.943 3.728 21.932 1.00 13.07 O +ATOM 1808 CB THR B 98 32.967 6.007 23.983 1.00 13.12 C +ATOM 1809 OG1 THR B 98 33.109 4.747 24.604 1.00 17.35 O +ATOM 1810 CG2 THR B 98 32.586 7.001 25.051 1.00 20.07 C +ATOM 1811 N ASP B 99 32.949 5.430 20.874 1.00 8.81 N +ATOM 1812 CA ASP B 99 33.497 4.568 19.832 1.00 9.10 C +ATOM 1813 C ASP B 99 34.866 5.060 19.415 1.00 8.84 C +ATOM 1814 O ASP B 99 35.046 6.289 19.284 1.00 11.60 O +ATOM 1815 CB ASP B 99 32.579 4.527 18.600 1.00 9.73 C +ATOM 1816 CG ASP B 99 32.986 3.423 17.635 1.00 11.74 C +ATOM 1817 OD1 ASP B 99 32.685 2.252 17.964 1.00 14.10 O +ATOM 1818 OD2 ASP B 99 33.625 3.712 16.611 1.00 11.70 O +ATOM 1819 N SER B 100 35.770 4.114 19.172 1.00 11.02 N +ATOM 1820 CA SER B 100 37.134 4.425 18.835 1.00 9.98 C +ATOM 1821 C SER B 100 37.487 4.322 17.366 1.00 10.91 C +ATOM 1822 O SER B 100 38.623 4.647 17.005 1.00 15.75 O +ATOM 1823 CB ASER B 100 38.032 3.445 19.650 0.50 8.10 C +ATOM 1824 CB BSER B 100 38.434 3.950 19.539 0.50 14.68 C +ATOM 1825 OG ASER B 100 37.888 3.804 21.024 0.50 9.37 O +ATOM 1826 OG BSER B 100 38.128 2.707 20.152 0.50 33.45 O +ATOM 1827 N LEU B 101 36.587 3.922 16.503 1.00 10.04 N +ATOM 1828 CA LEU B 101 36.803 3.809 15.074 1.00 9.00 C +ATOM 1829 C LEU B 101 36.226 4.973 14.298 1.00 11.17 C +ATOM 1830 O LEU B 101 36.886 5.483 13.357 1.00 12.85 O +ATOM 1831 CB LEU B 101 36.375 2.495 14.469 1.00 12.88 C +ATOM 1832 CG LEU B 101 37.235 1.270 14.582 1.00 21.06 C +ATOM 1833 CD1 LEU B 101 36.612 0.177 13.649 1.00 24.46 C +ATOM 1834 CD2 LEU B 101 38.611 1.632 13.866 1.00 40.29 C +ATOM 1835 N ILE B 102 35.000 5.381 14.645 1.00 10.87 N +ATOM 1836 CA ILE B 102 34.484 6.579 13.938 1.00 8.99 C +ATOM 1837 C ILE B 102 35.346 7.772 14.375 1.00 9.98 C +ATOM 1838 O ILE B 102 35.944 7.775 15.423 1.00 10.88 O +ATOM 1839 CB ILE B 102 33.022 6.829 14.243 1.00 9.92 C +ATOM 1840 CG1 ILE B 102 32.746 7.009 15.741 1.00 11.18 C +ATOM 1841 CG2 ILE B 102 32.124 5.746 13.670 1.00 11.52 C +ATOM 1842 CD1 ILE B 102 31.335 7.493 16.044 1.00 13.06 C +ATOM 1843 N SER B 103 35.250 8.843 13.569 1.00 9.31 N +ATOM 1844 CA SER B 103 35.918 10.077 13.864 1.00 8.95 C +ATOM 1845 C SER B 103 35.103 11.257 13.329 1.00 9.85 C +ATOM 1846 O SER B 103 34.203 11.012 12.526 1.00 10.21 O +ATOM 1847 CB ASER B 103 37.335 10.093 13.270 0.50 9.04 C +ATOM 1848 CB BSER B 103 37.320 10.183 13.235 0.50 10.96 C +ATOM 1849 OG ASER B 103 38.052 11.231 13.720 0.75 10.51 O +ATOM 1850 OG BSER B 103 37.209 10.348 11.828 0.25 19.94 O +ATOM 1851 N LEU B 104 35.399 12.468 13.768 1.00 10.02 N +ATOM 1852 CA LEU B 104 34.793 13.657 13.242 1.00 8.84 C +ATOM 1853 C LEU B 104 35.730 14.437 12.323 1.00 9.81 C +ATOM 1854 O LEU B 104 35.410 15.564 11.938 1.00 12.90 O +ATOM 1855 CB LEU B 104 34.188 14.558 14.324 1.00 10.64 C +ATOM 1856 CG LEU B 104 33.152 13.894 15.230 1.00 11.08 C +ATOM 1857 CD1 LEU B 104 32.660 14.877 16.273 1.00 14.45 C +ATOM 1858 CD2 LEU B 104 32.012 13.254 14.459 1.00 14.35 C +ATOM 1859 N LYS B 105 36.874 13.897 11.992 1.00 11.37 N +ATOM 1860 CA LYS B 105 37.869 14.471 11.126 1.00 13.65 C +ATOM 1861 C LYS B 105 38.669 13.385 10.435 1.00 14.73 C +ATOM 1862 O LYS B 105 38.672 12.241 10.924 1.00 17.31 O +ATOM 1863 CB LYS B 105 38.814 15.392 11.903 1.00 19.68 C +ATOM 1864 CG LYS B 105 39.451 14.725 13.116 1.00 29.49 C +ATOM 1865 CD LYS B 105 39.714 15.705 14.257 0.00 27.86 C +ATOM 1866 CE LYS B 105 40.213 17.067 13.773 0.00 27.99 C +ATOM 1867 NZ LYS B 105 40.055 18.125 14.782 0.00 27.91 N +ATOM 1868 N GLY B 106 39.337 13.642 9.352 1.00 15.73 N +ATOM 1869 CA GLY B 106 40.222 12.664 8.714 1.00 17.11 C +ATOM 1870 C GLY B 106 39.445 11.604 7.918 1.00 14.48 C +ATOM 1871 O GLY B 106 38.249 11.740 7.658 1.00 16.99 O +ATOM 1872 N PRO B 107 40.182 10.550 7.491 1.00 16.34 N +ATOM 1873 CA PRO B 107 39.619 9.538 6.644 1.00 15.36 C +ATOM 1874 C PRO B 107 38.393 8.849 7.168 1.00 14.30 C +ATOM 1875 O PRO B 107 37.508 8.449 6.376 1.00 18.10 O +ATOM 1876 CB PRO B 107 40.734 8.539 6.417 1.00 22.93 C +ATOM 1877 CG PRO B 107 41.981 9.261 6.810 1.00 23.78 C +ATOM 1878 CD PRO B 107 41.616 10.327 7.765 1.00 17.93 C +ATOM 1879 N ASN B 108 38.311 8.581 8.458 1.00 13.65 N +ATOM 1880 CA ASN B 108 37.135 7.906 9.012 1.00 12.15 C +ATOM 1881 C ASN B 108 36.050 8.850 9.462 1.00 10.95 C +ATOM 1882 O ASN B 108 35.159 8.466 10.234 1.00 12.00 O +ATOM 1883 CB ASN B 108 37.576 6.968 10.148 1.00 12.71 C +ATOM 1884 CG ASN B 108 38.282 5.719 9.697 1.00 14.81 C +ATOM 1885 OD1 ASN B 108 38.377 5.446 8.503 1.00 20.80 O +ATOM 1886 ND2 ASN B 108 38.656 4.863 10.641 1.00 20.80 N +ATOM 1887 N SER B 109 36.081 10.138 9.027 1.00 10.26 N +ATOM 1888 CA SER B 109 35.078 11.086 9.403 1.00 8.78 C +ATOM 1889 C SER B 109 33.667 10.689 8.993 1.00 10.08 C +ATOM 1890 O SER B 109 33.447 10.240 7.863 1.00 11.09 O +ATOM 1891 CB SER B 109 35.360 12.464 8.750 1.00 11.53 C +ATOM 1892 OG SER B 109 34.340 13.326 9.239 1.00 12.14 O +ATOM 1893 N ILE B 110 32.681 10.817 9.885 1.00 7.41 N +ATOM 1894 CA ILE B 110 31.310 10.538 9.619 1.00 7.01 C +ATOM 1895 C ILE B 110 30.499 11.786 9.332 1.00 8.59 C +ATOM 1896 O ILE B 110 29.314 11.716 9.096 1.00 8.63 O +ATOM 1897 CB ILE B 110 30.642 9.748 10.733 1.00 8.90 C +ATOM 1898 CG1 ILE B 110 30.669 10.517 12.072 1.00 10.81 C +ATOM 1899 CG2 ILE B 110 31.362 8.394 10.890 1.00 12.17 C +ATOM 1900 CD1 ILE B 110 29.894 9.876 13.194 1.00 14.48 C +ATOM 1901 N ILE B 111 31.189 12.953 9.264 1.00 8.64 N +ATOM 1902 CA ILE B 111 30.448 14.161 8.847 1.00 7.46 C +ATOM 1903 C ILE B 111 30.022 13.990 7.389 1.00 6.73 C +ATOM 1904 O ILE B 111 30.782 13.503 6.565 1.00 10.45 O +ATOM 1905 CB ILE B 111 31.382 15.373 8.930 1.00 9.01 C +ATOM 1906 CG1 ILE B 111 31.913 15.632 10.343 1.00 15.74 C +ATOM 1907 CG2 ILE B 111 30.720 16.671 8.469 1.00 11.21 C +ATOM 1908 CD1 ILE B 111 30.842 16.130 11.311 1.00 27.54 C +ATOM 1909 N GLY B 112 28.752 14.335 7.108 1.00 7.15 N +ATOM 1910 CA GLY B 112 28.171 14.177 5.808 1.00 7.84 C +ATOM 1911 C GLY B 112 27.635 12.804 5.519 1.00 7.18 C +ATOM 1912 O GLY B 112 27.258 12.559 4.352 1.00 8.13 O +ATOM 1913 N ARG B 113 27.650 11.913 6.487 1.00 6.58 N +ATOM 1914 CA ARG B 113 27.130 10.572 6.339 1.00 6.99 C +ATOM 1915 C ARG B 113 25.834 10.448 7.094 1.00 6.67 C +ATOM 1916 O ARG B 113 25.373 11.461 7.629 1.00 10.44 O +ATOM 1917 CB ARG B 113 28.179 9.527 6.721 1.00 8.65 C +ATOM 1918 CG ARG B 113 29.497 9.818 5.986 1.00 8.54 C +ATOM 1919 CD ARG B 113 30.462 8.700 6.064 1.00 9.33 C +ATOM 1920 NE ARG B 113 31.733 9.039 5.460 1.00 9.93 N +ATOM 1921 CZ ARG B 113 32.027 8.955 4.153 1.00 10.87 C +ATOM 1922 NH1 ARG B 113 31.089 8.556 3.276 1.00 12.08 N +ATOM 1923 NH2 ARG B 113 33.257 9.263 3.743 1.00 13.85 N +ATOM 1924 N THR B 114 25.208 9.271 7.171 1.00 8.32 N +ATOM 1925 CA THR B 114 23.874 9.183 7.756 1.00 7.64 C +ATOM 1926 C THR B 114 23.819 8.270 8.964 1.00 6.99 C +ATOM 1927 O THR B 114 24.260 7.107 8.900 1.00 10.62 O +ATOM 1928 CB THR B 114 22.891 8.619 6.687 1.00 8.27 C +ATOM 1929 OG1 THR B 114 22.759 9.612 5.648 1.00 11.26 O +ATOM 1930 CG2 THR B 114 21.490 8.443 7.245 1.00 11.44 C +ATOM 1931 N ALA B 115 23.267 8.711 10.085 1.00 7.99 N +ATOM 1932 CA ALA B 115 23.003 7.808 11.204 1.00 7.60 C +ATOM 1933 C ALA B 115 21.592 7.213 11.012 1.00 6.97 C +ATOM 1934 O ALA B 115 20.651 7.953 10.662 1.00 9.29 O +ATOM 1935 CB ALA B 115 23.059 8.565 12.525 1.00 10.35 C +ATOM 1936 N VAL B 116 21.469 5.926 11.202 1.00 7.66 N +ATOM 1937 CA VAL B 116 20.246 5.169 11.005 1.00 7.25 C +ATOM 1938 C VAL B 116 19.907 4.373 12.284 1.00 6.96 C +ATOM 1939 O VAL B 116 20.773 3.661 12.820 1.00 8.73 O +ATOM 1940 CB VAL B 116 20.418 4.153 9.840 1.00 9.05 C +ATOM 1941 CG1 VAL B 116 19.175 3.304 9.651 1.00 13.37 C +ATOM 1942 CG2 VAL B 116 20.755 4.910 8.559 1.00 10.19 C +ATOM 1943 N VAL B 117 18.659 4.396 12.656 1.00 7.96 N +ATOM 1944 CA VAL B 117 18.101 3.559 13.716 1.00 7.99 C +ATOM 1945 C VAL B 117 17.196 2.498 13.013 1.00 9.25 C +ATOM 1946 O VAL B 117 16.360 2.885 12.174 1.00 9.82 O +ATOM 1947 CB VAL B 117 17.429 4.257 14.851 1.00 9.20 C +ATOM 1948 CG1 VAL B 117 16.221 5.061 14.446 1.00 13.24 C +ATOM 1949 CG2 VAL B 117 17.090 3.274 15.996 1.00 13.73 C +ATOM 1950 N HIS B 118 17.402 1.248 13.297 1.00 8.11 N +ATOM 1951 CA HIS B 118 16.786 0.116 12.661 1.00 7.68 C +ATOM 1952 C HIS B 118 15.593 -0.494 13.366 1.00 9.30 C +ATOM 1953 O HIS B 118 15.376 -0.352 14.572 1.00 11.32 O +ATOM 1954 CB HIS B 118 17.830 -0.945 12.325 1.00 8.55 C +ATOM 1955 CG HIS B 118 18.809 -0.633 11.226 1.00 7.33 C +ATOM 1956 ND1 HIS B 118 18.516 -0.835 9.924 1.00 9.41 N +ATOM 1957 CD2 HIS B 118 20.108 -0.221 11.239 1.00 9.37 C +ATOM 1958 CE1 HIS B 118 19.578 -0.529 9.174 1.00 9.34 C +ATOM 1959 NE2 HIS B 118 20.563 -0.155 9.974 1.00 8.65 N +ATOM 1960 N GLU B 119 14.769 -1.167 12.564 1.00 10.52 N +ATOM 1961 CA GLU B 119 13.565 -1.844 13.001 1.00 12.23 C +ATOM 1962 C GLU B 119 13.844 -2.916 14.057 1.00 10.45 C +ATOM 1963 O GLU B 119 13.063 -3.038 15.034 1.00 14.34 O +ATOM 1964 CB GLU B 119 12.951 -2.521 11.743 1.00 17.22 C +ATOM 1965 CG GLU B 119 11.760 -3.360 11.899 1.00 24.76 C +ATOM 1966 CD GLU B 119 11.401 -4.160 10.622 1.00 27.22 C +ATOM 1967 OE1 GLU B 119 12.186 -4.206 9.664 1.00 25.09 O +ATOM 1968 OE2 GLU B 119 10.372 -4.850 10.675 1.00 37.96 O +ATOM 1969 N LYS B 120 14.827 -3.738 13.830 1.00 12.17 N +ATOM 1970 CA LYS B 120 15.154 -4.878 14.606 1.00 14.34 C +ATOM 1971 C LYS B 120 16.483 -4.793 15.326 1.00 10.51 C +ATOM 1972 O LYS B 120 17.296 -3.908 15.031 1.00 11.26 O +ATOM 1973 CB LYS B 120 15.143 -6.208 13.736 1.00 18.00 C +ATOM 1974 CG LYS B 120 13.983 -6.414 12.854 1.00 29.04 C +ATOM 1975 CD LYS B 120 13.985 -7.720 12.114 1.00 34.60 C +ATOM 1976 CE LYS B 120 12.814 -7.795 11.111 1.00 43.53 C +ATOM 1977 NZ LYS B 120 12.104 -9.102 11.238 0.00 42.91 N +ATOM 1978 N ALA B 121 16.798 -5.750 16.173 1.00 11.59 N +ATOM 1979 CA ALA B 121 18.105 -5.883 16.781 1.00 12.27 C +ATOM 1980 C ALA B 121 19.169 -6.244 15.734 1.00 9.84 C +ATOM 1981 O ALA B 121 18.937 -6.975 14.786 1.00 13.67 O +ATOM 1982 CB ALA B 121 18.090 -6.990 17.834 1.00 14.62 C +ATOM 1983 N ASP B 122 20.355 -5.655 15.970 1.00 10.19 N +ATOM 1984 CA ASP B 122 21.547 -6.064 15.227 1.00 9.64 C +ATOM 1985 C ASP B 122 22.116 -7.336 15.913 1.00 10.23 C +ATOM 1986 O ASP B 122 22.331 -7.344 17.131 1.00 11.86 O +ATOM 1987 CB ASP B 122 22.559 -4.944 15.293 1.00 11.44 C +ATOM 1988 CG ASP B 122 23.858 -5.095 14.597 1.00 11.39 C +ATOM 1989 OD1 ASP B 122 24.254 -6.221 14.245 1.00 11.08 O +ATOM 1990 OD2 ASP B 122 24.545 -4.037 14.383 1.00 11.19 O +ATOM 1991 N ASP B 123 22.256 -8.409 15.098 1.00 10.89 N +ATOM 1992 CA ASP B 123 22.749 -9.675 15.576 1.00 12.25 C +ATOM 1993 C ASP B 123 24.254 -9.761 15.727 1.00 12.41 C +ATOM 1994 O ASP B 123 24.804 -10.810 16.076 1.00 14.56 O +ATOM 1995 CB ASP B 123 22.186 -10.871 14.843 1.00 13.66 C +ATOM 1996 CG ASP B 123 22.722 -11.006 13.431 1.00 12.46 C +ATOM 1997 OD1 ASP B 123 23.774 -10.451 13.101 1.00 12.43 O +ATOM 1998 OD2 ASP B 123 22.063 -11.751 12.654 1.00 15.23 O +ATOM 1999 N LEU B 124 24.925 -8.645 15.448 1.00 11.59 N +ATOM 2000 CA LEU B 124 26.346 -8.463 15.679 1.00 11.36 C +ATOM 2001 C LEU B 124 27.225 -9.380 14.877 1.00 11.01 C +ATOM 2002 O LEU B 124 28.381 -9.645 15.209 1.00 13.55 O +ATOM 2003 CB LEU B 124 26.646 -8.519 17.162 1.00 13.86 C +ATOM 2004 CG LEU B 124 25.794 -7.671 18.111 1.00 14.31 C +ATOM 2005 CD1 LEU B 124 26.202 -7.954 19.552 1.00 20.18 C +ATOM 2006 CD2 LEU B 124 25.867 -6.173 17.813 1.00 16.26 C +ATOM 2007 N GLY B 125 26.685 -9.828 13.723 1.00 11.58 N +ATOM 2008 CA GLY B 125 27.446 -10.711 12.891 1.00 10.45 C +ATOM 2009 C GLY B 125 27.387 -12.174 13.284 1.00 13.43 C +ATOM 2010 O GLY B 125 28.133 -12.990 12.691 1.00 18.60 O +ATOM 2011 N LYS B 126 26.603 -12.544 14.262 1.00 13.32 N +ATOM 2012 CA LYS B 126 26.540 -13.873 14.836 1.00 14.62 C +ATOM 2013 C LYS B 126 25.293 -14.672 14.433 1.00 14.19 C +ATOM 2014 O LYS B 126 24.975 -15.671 15.056 1.00 19.91 O +ATOM 2015 CB LYS B 126 26.606 -13.830 16.351 1.00 19.32 C +ATOM 2016 CG LYS B 126 27.793 -13.141 16.988 1.00 26.17 C +ATOM 2017 CD LYS B 126 29.002 -13.202 16.072 1.00 38.65 C +ATOM 2018 CE LYS B 126 30.209 -13.790 16.790 0.00 37.68 C +ATOM 2019 NZ LYS B 126 31.252 -12.761 17.048 0.00 37.77 N +ATOM 2020 N GLY B 127 24.591 -14.215 13.390 1.00 14.60 N +ATOM 2021 CA GLY B 127 23.387 -14.809 12.931 1.00 15.74 C +ATOM 2022 C GLY B 127 23.466 -16.054 12.123 1.00 16.56 C +ATOM 2023 O GLY B 127 22.436 -16.759 11.979 1.00 22.53 O +ATOM 2024 N GLY B 128 24.626 -16.422 11.605 1.00 15.53 N +ATOM 2025 CA GLY B 128 24.733 -17.694 10.886 1.00 17.09 C +ATOM 2026 C GLY B 128 24.364 -17.583 9.414 1.00 15.44 C +ATOM 2027 O GLY B 128 24.111 -18.614 8.784 1.00 16.65 O +ATOM 2028 N ASN B 129 24.390 -16.394 8.822 1.00 15.83 N +ATOM 2029 CA ASN B 129 24.124 -16.283 7.372 1.00 16.02 C +ATOM 2030 C ASN B 129 24.818 -15.059 6.791 1.00 15.56 C +ATOM 2031 O ASN B 129 25.327 -14.199 7.537 1.00 18.21 O +ATOM 2032 CB ASN B 129 22.641 -16.254 7.112 1.00 17.22 C +ATOM 2033 CG ASN B 129 21.894 -15.205 7.913 1.00 20.71 C +ATOM 2034 OD1 ASN B 129 22.340 -14.061 8.040 1.00 18.04 O +ATOM 2035 ND2 ASN B 129 20.756 -15.554 8.487 1.00 35.41 N +ATOM 2036 N ASP B 130 24.845 -14.954 5.483 1.00 16.29 N +ATOM 2037 CA ASP B 130 25.551 -13.862 4.804 1.00 19.06 C +ATOM 2038 C ASP B 130 24.991 -12.499 5.166 1.00 17.75 C +ATOM 2039 O ASP B 130 25.735 -11.521 5.297 1.00 19.01 O +ATOM 2040 CB ASP B 130 25.465 -14.084 3.296 1.00 26.87 C +ATOM 2041 CG ASP B 130 26.374 -15.122 2.735 1.00 37.92 C +ATOM 2042 OD1 ASP B 130 27.113 -15.779 3.516 1.00 43.23 O +ATOM 2043 OD2 ASP B 130 26.401 -15.318 1.489 1.00 44.58 O +ATOM 2044 N GLU B 131 23.654 -12.417 5.342 1.00 15.99 N +ATOM 2045 CA GLU B 131 23.085 -11.102 5.686 1.00 16.96 C +ATOM 2046 C GLU B 131 23.578 -10.623 7.036 1.00 15.15 C +ATOM 2047 O GLU B 131 23.730 -9.431 7.246 1.00 15.13 O +ATOM 2048 CB GLU B 131 21.549 -11.187 5.734 1.00 20.24 C +ATOM 2049 CG GLU B 131 20.897 -9.830 5.891 1.00 22.36 C +ATOM 2050 CD GLU B 131 21.152 -8.914 4.678 1.00 22.88 C +ATOM 2051 OE1 GLU B 131 21.003 -9.372 3.535 1.00 30.25 O +ATOM 2052 OE2 GLU B 131 21.338 -7.736 4.896 1.00 35.42 O +ATOM 2053 N SER B 132 23.868 -11.534 7.939 1.00 13.69 N +ATOM 2054 CA SER B 132 24.361 -11.167 9.267 1.00 13.13 C +ATOM 2055 C SER B 132 25.700 -10.431 9.103 1.00 13.68 C +ATOM 2056 O SER B 132 25.964 -9.436 9.831 1.00 12.89 O +ATOM 2057 CB SER B 132 24.571 -12.413 10.129 1.00 13.12 C +ATOM 2058 OG SER B 132 25.060 -12.055 11.427 1.00 13.13 O +ATOM 2059 N LEU B 133 26.492 -10.937 8.165 1.00 14.18 N +ATOM 2060 CA LEU B 133 27.790 -10.360 7.869 1.00 13.59 C +ATOM 2061 C LEU B 133 27.783 -9.081 7.097 1.00 11.58 C +ATOM 2062 O LEU B 133 28.874 -8.507 6.883 1.00 12.24 O +ATOM 2063 CB LEU B 133 28.739 -11.377 7.304 1.00 17.23 C +ATOM 2064 CG LEU B 133 29.022 -12.613 8.147 1.00 24.64 C +ATOM 2065 CD1 LEU B 133 29.894 -13.562 7.317 1.00 32.28 C +ATOM 2066 CD2 LEU B 133 29.717 -12.264 9.434 1.00 27.85 C +ATOM 2067 N LYS B 134 26.641 -8.604 6.664 1.00 14.75 N +ATOM 2068 CA LYS B 134 26.477 -7.363 5.957 1.00 15.51 C +ATOM 2069 C LYS B 134 25.770 -6.292 6.807 1.00 13.65 C +ATOM 2070 O LYS B 134 26.266 -5.148 6.878 1.00 13.25 O +ATOM 2071 CB LYS B 134 25.696 -7.539 4.670 1.00 17.40 C +ATOM 2072 CG LYS B 134 26.361 -8.350 3.576 1.00 23.88 C +ATOM 2073 CD LYS B 134 25.393 -8.384 2.359 1.00 41.07 C +ATOM 2074 CE LYS B 134 25.772 -9.458 1.363 1.00 51.68 C +ATOM 2075 NZ LYS B 134 25.399 -9.097 -0.052 1.00 73.24 N +ATOM 2076 N THR B 135 24.618 -6.641 7.365 1.00 13.57 N +ATOM 2077 CA THR B 135 23.775 -5.683 8.086 1.00 13.53 C +ATOM 2078 C THR B 135 23.416 -6.108 9.504 1.00 12.18 C +ATOM 2079 O THR B 135 22.712 -5.383 10.201 1.00 14.70 O +ATOM 2080 CB THR B 135 22.425 -5.555 7.310 1.00 14.86 C +ATOM 2081 OG1 THR B 135 21.750 -6.823 7.355 1.00 15.85 O +ATOM 2082 CG2 THR B 135 22.650 -5.129 5.879 1.00 20.71 C +ATOM 2083 N GLY B 136 23.800 -7.292 9.944 1.00 11.39 N +ATOM 2084 CA GLY B 136 23.377 -7.761 11.262 1.00 10.99 C +ATOM 2085 C GLY B 136 21.937 -8.155 11.313 1.00 9.97 C +ATOM 2086 O GLY B 136 21.336 -8.297 12.405 1.00 12.56 O +ATOM 2087 N ASN B 137 21.280 -8.283 10.176 1.00 11.62 N +ATOM 2088 CA ASN B 137 19.856 -8.642 10.147 1.00 9.77 C +ATOM 2089 C ASN B 137 18.970 -7.644 10.872 1.00 9.86 C +ATOM 2090 O ASN B 137 17.905 -7.944 11.422 1.00 13.38 O +ATOM 2091 CB ASN B 137 19.621 -10.046 10.565 1.00 12.77 C +ATOM 2092 CG ASN B 137 20.076 -11.098 9.607 1.00 13.54 C +ATOM 2093 OD1 ASN B 137 21.008 -11.889 9.883 1.00 17.31 O +ATOM 2094 ND2 ASN B 137 19.449 -11.148 8.446 1.00 17.83 N +ATOM 2095 N ALA B 138 19.393 -6.388 10.838 1.00 10.43 N +ATOM 2096 CA ALA B 138 18.688 -5.347 11.556 1.00 10.58 C +ATOM 2097 C ALA B 138 17.446 -4.822 10.928 1.00 11.98 C +ATOM 2098 O ALA B 138 16.701 -4.018 11.491 1.00 13.18 O +ATOM 2099 CB ALA B 138 19.671 -4.179 11.874 1.00 13.66 C +ATOM 2100 N GLY B 139 17.116 -5.223 9.714 1.00 13.42 N +ATOM 2101 CA GLY B 139 15.890 -4.841 9.098 1.00 14.87 C +ATOM 2102 C GLY B 139 15.777 -3.469 8.575 1.00 12.76 C +ATOM 2103 O GLY B 139 16.789 -2.785 8.263 1.00 13.58 O +ATOM 2104 N GLY B 140 14.554 -2.965 8.498 1.00 12.30 N +ATOM 2105 CA GLY B 140 14.276 -1.670 7.964 1.00 12.65 C +ATOM 2106 C GLY B 140 14.954 -0.526 8.720 1.00 9.86 C +ATOM 2107 O GLY B 140 15.415 -0.601 9.824 1.00 12.93 O +ATOM 2108 N ARG B 141 14.828 0.638 8.011 1.00 10.15 N +ATOM 2109 CA ARG B 141 15.418 1.874 8.521 1.00 8.83 C +ATOM 2110 C ARG B 141 14.251 2.764 8.966 1.00 10.49 C +ATOM 2111 O ARG B 141 13.523 3.340 8.159 1.00 17.14 O +ATOM 2112 CB ARG B 141 16.203 2.515 7.361 1.00 10.77 C +ATOM 2113 CG ARG B 141 17.224 1.605 6.779 1.00 11.94 C +ATOM 2114 CD ARG B 141 17.959 2.101 5.596 1.00 11.13 C +ATOM 2115 NE ARG B 141 18.851 1.092 5.023 1.00 12.12 N +ATOM 2116 CZ ARG B 141 19.678 1.240 4.013 1.00 9.26 C +ATOM 2117 NH1 ARG B 141 19.927 2.401 3.447 1.00 14.97 N +ATOM 2118 NH2 ARG B 141 20.447 0.204 3.620 1.00 14.20 N +ATOM 2119 N LEU B 142 14.059 2.870 10.264 1.00 10.74 N +ATOM 2120 CA LEU B 142 12.937 3.589 10.831 1.00 9.72 C +ATOM 2121 C LEU B 142 13.094 5.110 10.808 1.00 8.93 C +ATOM 2122 O LEU B 142 12.088 5.805 10.569 1.00 13.02 O +ATOM 2123 CB LEU B 142 12.728 3.179 12.304 1.00 11.46 C +ATOM 2124 CG LEU B 142 12.428 1.721 12.551 1.00 15.06 C +ATOM 2125 CD1 LEU B 142 12.277 1.495 14.041 1.00 21.34 C +ATOM 2126 CD2 LEU B 142 11.180 1.303 11.766 1.00 23.00 C +ATOM 2127 N ALA B 143 14.309 5.581 10.998 1.00 8.76 N +ATOM 2128 CA ALA B 143 14.619 6.979 11.005 1.00 9.23 C +ATOM 2129 C ALA B 143 16.095 7.167 10.706 1.00 9.30 C +ATOM 2130 O ALA B 143 16.911 6.326 11.023 1.00 10.45 O +ATOM 2131 CB ALA B 143 14.209 7.685 12.306 1.00 11.91 C +ATOM 2132 N CYS B 144 16.417 8.328 10.141 1.00 9.18 N +ATOM 2133 CA CYS B 144 17.811 8.590 9.759 1.00 9.57 C +ATOM 2134 C CYS B 144 17.993 10.118 9.656 1.00 8.03 C +ATOM 2135 O CYS B 144 17.030 10.867 9.521 1.00 10.85 O +ATOM 2136 CB CYS B 144 18.107 7.905 8.470 1.00 11.22 C +ATOM 2137 SG CYS B 144 17.047 8.434 7.073 1.00 13.34 S +ATOM 2138 N GLY B 145 19.267 10.543 9.621 1.00 8.84 N +ATOM 2139 CA GLY B 145 19.579 11.944 9.423 1.00 11.56 C +ATOM 2140 C GLY B 145 21.012 12.139 9.037 1.00 7.93 C +ATOM 2141 O GLY B 145 21.840 11.301 9.374 1.00 9.52 O +ATOM 2142 N VAL B 146 21.277 13.227 8.320 1.00 8.46 N +ATOM 2143 CA VAL B 146 22.602 13.572 7.875 1.00 7.42 C +ATOM 2144 C VAL B 146 23.365 14.262 8.997 1.00 7.61 C +ATOM 2145 O VAL B 146 22.833 15.152 9.661 1.00 11.09 O +ATOM 2146 CB VAL B 146 22.591 14.404 6.591 1.00 9.11 C +ATOM 2147 CG1 VAL B 146 23.983 14.690 6.104 1.00 12.75 C +ATOM 2148 CG2 VAL B 146 21.734 13.797 5.513 1.00 12.37 C +ATOM 2149 N ILE B 147 24.615 13.852 9.220 1.00 7.43 N +ATOM 2150 CA ILE B 147 25.444 14.358 10.286 1.00 7.01 C +ATOM 2151 C ILE B 147 26.173 15.645 9.879 1.00 7.47 C +ATOM 2152 O ILE B 147 26.900 15.671 8.856 1.00 9.98 O +ATOM 2153 CB ILE B 147 26.443 13.289 10.767 1.00 8.25 C +ATOM 2154 CG1 ILE B 147 25.685 12.010 11.217 1.00 8.37 C +ATOM 2155 CG2 ILE B 147 27.333 13.821 11.897 1.00 11.65 C +ATOM 2156 CD1 ILE B 147 26.609 10.824 11.316 1.00 11.47 C +ATOM 2157 N GLY B 148 25.981 16.712 10.614 1.00 7.80 N +ATOM 2158 CA GLY B 148 26.642 17.983 10.325 1.00 7.47 C +ATOM 2159 C GLY B 148 27.308 18.618 11.520 1.00 8.48 C +ATOM 2160 O GLY B 148 27.121 18.225 12.687 1.00 10.29 O +ATOM 2161 N TYR B 149 28.132 19.635 11.208 1.00 8.37 N +ATOM 2162 CA TYR B 149 28.841 20.352 12.244 1.00 8.36 C +ATOM 2163 C TYR B 149 27.870 21.076 13.167 1.00 9.36 C +ATOM 2164 O TYR B 149 26.874 21.665 12.741 1.00 10.67 O +ATOM 2165 CB TYR B 149 29.821 21.392 11.668 1.00 10.54 C +ATOM 2166 CG TYR B 149 30.990 20.781 10.921 1.00 10.24 C +ATOM 2167 CD1 TYR B 149 32.040 20.138 11.572 1.00 14.06 C +ATOM 2168 CD2 TYR B 149 31.044 20.802 9.513 1.00 10.85 C +ATOM 2169 CE1 TYR B 149 33.092 19.567 10.881 1.00 15.67 C +ATOM 2170 CE2 TYR B 149 32.107 20.248 8.831 1.00 13.83 C +ATOM 2171 CZ TYR B 149 33.114 19.607 9.509 1.00 15.51 C +ATOM 2172 OH TYR B 149 34.137 19.063 8.788 1.00 19.98 O +ATOM 2173 N SER B 150 28.254 21.134 14.480 1.00 10.04 N +ATOM 2174 CA SER B 150 27.420 21.901 15.383 1.00 10.82 C +ATOM 2175 C SER B 150 28.309 22.780 16.258 1.00 14.53 C +ATOM 2176 O SER B 150 29.494 22.444 16.400 1.00 16.45 O +ATOM 2177 CB ASER B 150 26.536 20.998 16.218 0.50 12.42 C +ATOM 2178 CB BSER B 150 27.136 20.790 16.375 0.50 11.12 C +ATOM 2179 OG ASER B 150 27.354 20.130 16.992 0.50 16.40 O +ATOM 2180 OG BSER B 150 26.253 21.297 17.383 0.50 19.82 O +ATOM 2181 N PRO B 151 27.773 23.884 16.773 1.00 15.00 N +ATOM 2182 CA PRO B 151 28.556 24.770 17.644 1.00 21.26 C +ATOM 2183 C PRO B 151 28.878 24.015 18.938 1.00 28.74 C +ATOM 2184 O PRO B 151 28.183 23.004 19.281 1.00 34.70 O +ATOM 2185 CB PRO B 151 27.643 25.952 17.835 1.00 24.26 C +ATOM 2186 CG PRO B 151 26.255 25.472 17.474 1.00 26.88 C +ATOM 2187 CD PRO B 151 26.410 24.331 16.518 1.00 18.92 C +ATOM 2188 OXT PRO B 151 29.927 24.311 19.607 1.00 47.16 O +TER 2189 PRO B 151 +HETATM 2190 CU CU A 1 22.291 33.388 3.996 1.00 13.22 CU +HETATM 2191 ZN ZN A 152 27.539 36.010 2.881 1.00 9.34 ZN +HETATM 2192 CU CU B 152 22.547 -0.328 9.409 1.00 12.12 CU +HETATM 2193 ZN ZN B 153 27.886 -3.058 9.581 1.00 8.92 ZN +HETATM 2194 O HOH A 153 20.020 16.842 3.158 1.00 10.99 O +HETATM 2195 O HOH A 154 35.169 33.232 3.279 1.00 11.35 O +HETATM 2196 O HOH A 155 21.453 18.623 12.015 1.00 13.87 O +HETATM 2197 O HOH A 156 25.785 36.236 -2.605 1.00 14.02 O +HETATM 2198 O HOH A 157 35.968 33.996 0.810 1.00 16.26 O +HETATM 2199 O HOH A 158 26.463 35.933 7.549 1.00 16.32 O +HETATM 2200 O HOH A 159 32.640 30.452 8.877 1.00 17.25 O +HETATM 2201 O HOH A 160 23.680 34.882 7.984 1.00 19.24 O +HETATM 2202 O HOH A 161 35.255 22.878 5.771 1.00 20.55 O +HETATM 2203 O HOH A 162 27.244 31.430 13.306 1.00 21.93 O +HETATM 2204 O HOH A 163 8.817 32.469 -1.204 1.00 22.55 O +HETATM 2205 O HOH A 164 19.543 36.648 6.233 1.00 22.63 O +HETATM 2206 O HOH A 165 9.155 22.516 3.685 1.00 22.66 O +HETATM 2207 O HOH A 166 39.128 23.539 0.194 1.00 23.11 O +HETATM 2208 O HOH A 167 21.870 35.095 5.421 1.00 24.06 O +HETATM 2209 O HOH A 168 28.614 43.053 -5.112 1.00 25.42 O +HETATM 2210 O HOH A 169 32.023 35.896 9.547 1.00 26.18 O +HETATM 2211 O HOH A 170 30.997 39.159 7.189 1.00 26.26 O +HETATM 2212 O HOH A 171 19.004 17.991 6.249 1.00 26.62 O +HETATM 2213 O HOH A 172 22.650 47.664 9.177 1.00 26.84 O +HETATM 2214 O HOH A 173 2.672 35.705 -11.133 1.00 27.47 O +HETATM 2215 O HOH A 174 41.575 34.045 6.941 1.00 27.71 O +HETATM 2216 O HOH A 175 31.636 42.707 -0.373 1.00 27.94 O +HETATM 2217 O HOH A 176 16.407 18.559 5.045 1.00 28.02 O +HETATM 2218 O HOH A 177 33.405 19.140 5.844 1.00 28.10 O +HETATM 2219 O HOH A 178 28.968 44.612 8.625 1.00 28.36 O +HETATM 2220 O HOH A 179 26.855 48.192 1.067 1.00 28.57 O +HETATM 2221 O HOH A 180 29.790 31.199 -8.756 1.00 28.69 O +HETATM 2222 O HOH A 181 22.490 44.788 -5.394 0.50 28.83 O +HETATM 2223 O HOH A 182 25.997 18.974 -9.876 1.00 29.07 O +HETATM 2224 O HOH A 183 30.972 41.884 7.275 1.00 30.12 O +HETATM 2225 O HOH A 184 36.558 24.503 -5.810 1.00 30.60 O +HETATM 2226 O HOH A 185 4.528 26.642 -12.350 1.00 30.70 O +HETATM 2227 O HOH A 186 21.356 38.667 -8.725 1.00 31.09 O +HETATM 2228 O HOH A 187 35.366 15.207 1.243 1.00 31.09 O +HETATM 2229 O HOH A 188 12.958 39.917 -6.907 1.00 31.21 O +HETATM 2230 O HOH A 189 28.606 37.998 -9.291 1.00 31.68 O +HETATM 2231 O HOH A 190 34.903 17.292 3.506 1.00 32.07 O +HETATM 2232 O HOH A 191 9.369 35.057 -0.223 1.00 32.66 O +HETATM 2233 O HOH A 192 19.910 42.000 -5.743 1.00 33.19 O +HETATM 2234 O HOH A 193 19.155 46.088 0.451 1.00 33.95 O +HETATM 2235 O HOH A 194 38.403 34.593 -0.535 1.00 33.96 O +HETATM 2236 O HOH A 195 23.198 21.280 18.684 1.00 34.50 O +HETATM 2237 O HOH A 196 22.753 33.475 12.297 1.00 34.50 O +HETATM 2238 O HOH A 197 38.422 26.458 -2.993 1.00 34.53 O +HETATM 2239 O HOH A 198 35.716 33.552 9.818 1.00 34.55 O +HETATM 2240 O HOH A 199 33.114 44.874 0.894 1.00 34.57 O +HETATM 2241 O HOH A 200 35.462 19.928 -11.072 1.00 34.62 O +HETATM 2242 O HOH A 201 13.949 32.601 9.230 1.00 34.72 O +HETATM 2243 O HOH A 202 9.521 37.169 -4.211 1.00 34.72 O +HETATM 2244 O HOH A 203 13.531 40.871 -2.549 1.00 34.97 O +HETATM 2245 O HOH A 204 29.947 34.225 9.135 1.00 35.24 O +HETATM 2246 O HOH A 205 10.280 35.705 -12.060 1.00 35.46 O +HETATM 2247 O HOH A 206 33.807 31.106 -8.455 1.00 35.49 O +HETATM 2248 O HOH A 207 41.694 31.053 6.113 1.00 35.75 O +HETATM 2249 O HOH A 208 16.902 42.314 0.108 1.00 35.78 O +HETATM 2250 O HOH A 209 23.904 32.516 -8.342 1.00 35.79 O +HETATM 2251 O HOH A 210 11.746 27.492 7.688 1.00 35.85 O +HETATM 2252 O HOH A 211 27.611 29.974 -12.572 1.00 36.04 O +HETATM 2253 O HOH A 212 18.963 39.748 6.409 1.00 36.23 O +HETATM 2254 O HOH A 213 17.787 30.605 -10.939 1.00 36.30 O +HETATM 2255 O HOH A 214 27.716 49.195 3.390 1.00 36.32 O +HETATM 2256 O HOH A 215 19.242 34.207 -10.585 1.00 36.33 O +HETATM 2257 O HOH A 216 37.189 41.887 3.127 1.00 36.50 O +HETATM 2258 O HOH A 217 32.812 24.605 11.566 1.00 36.61 O +HETATM 2259 O HOH A 218 24.783 14.662 -6.581 1.00 37.07 O +HETATM 2260 O HOH A 219 18.530 17.375 8.952 1.00 37.10 O +HETATM 2261 O HOH A 220 32.124 42.713 -2.798 1.00 37.20 O +HETATM 2262 O HOH A 221 17.316 42.885 6.259 1.00 37.38 O +HETATM 2263 O HOH A 222 25.672 48.188 12.743 1.00 37.84 O +HETATM 2264 O HOH A 223 34.314 46.754 5.157 1.00 37.95 O +HETATM 2265 O HOH A 224 13.081 26.094 9.866 1.00 38.00 O +HETATM 2266 O HOH A 225 22.786 35.941 10.329 1.00 38.07 O +HETATM 2267 O HOH A 226 9.100 26.618 3.939 1.00 38.08 O +HETATM 2268 O HOH A 227 12.014 18.399 1.284 1.00 39.02 O +HETATM 2269 O HOH A 228 7.212 31.149 0.313 1.00 39.19 O +HETATM 2270 O HOH A 229 41.710 35.410 3.871 1.00 39.46 O +HETATM 2271 O HOH A 230 39.669 22.064 -2.634 1.00 39.53 O +HETATM 2272 O HOH A 231 40.201 28.400 3.388 1.00 39.92 O +HETATM 2273 O HOH A 232 20.980 29.013 -13.787 1.00 39.94 O +HETATM 2274 O HOH A 233 37.876 25.342 7.459 1.00 40.21 O +HETATM 2275 O HOH A 234 23.870 27.551 15.841 1.00 40.79 O +HETATM 2276 O HOH A 235 30.097 46.082 -0.853 1.00 41.80 O +HETATM 2277 O HOH A 236 18.119 34.760 8.642 1.00 41.99 O +HETATM 2278 O HOH A 237 12.202 19.993 -6.175 1.00 42.25 O +HETATM 2279 O HOH A 238 27.187 32.444 -10.126 1.00 42.61 O +HETATM 2280 O HOH A 239 22.658 24.343 18.103 1.00 42.76 O +HETATM 2281 O HOH A 240 5.146 28.034 2.403 1.00 42.81 O +HETATM 2282 O HOH A 241 30.675 10.869 -3.941 1.00 43.11 O +HETATM 2283 O HOH A 242 34.748 42.809 -4.090 1.00 43.18 O +HETATM 2284 O HOH A 243 12.345 38.261 -4.287 1.00 43.30 O +HETATM 2285 O HOH A 244 23.323 35.849 -8.482 1.00 43.39 O +HETATM 2286 O HOH A 245 16.349 27.627 20.878 1.00 43.48 O +HETATM 2287 O HOH A 246 25.826 29.546 15.672 1.00 43.58 O +HETATM 2288 O HOH A 247 19.414 28.539 17.074 1.00 43.76 O +HETATM 2289 O HOH A 248 37.451 19.516 5.365 1.00 44.14 O +HETATM 2290 O HOH A 249 13.938 28.833 -12.670 1.00 44.23 O +HETATM 2291 O HOH A 250 30.381 40.295 -9.348 1.00 45.88 O +HETATM 2292 O HOH A 251 18.564 46.257 6.823 1.00 45.98 O +HETATM 2293 O HOH A 252 21.130 32.030 13.440 1.00 47.04 O +HETATM 2294 O HOH A 253 44.034 24.155 9.768 1.00 47.20 O +HETATM 2295 O HOH A 254 37.724 23.588 -12.703 1.00 47.48 O +HETATM 2296 O HOH A 255 27.672 49.840 6.061 1.00 47.70 O +HETATM 2297 O HOH A 256 12.246 17.796 -1.348 1.00 47.71 O +HETATM 2298 O HOH A 257 7.751 34.429 2.430 1.00 48.00 O +HETATM 2299 O HOH A 258 17.739 18.719 -8.249 1.00 48.03 O +HETATM 2300 O HOH A 259 15.688 21.167 7.287 1.00 48.15 O +HETATM 2301 O HOH A 260 38.301 35.550 -3.110 1.00 48.16 O +HETATM 2302 O HOH A 261 20.012 51.089 4.244 1.00 48.56 O +HETATM 2303 O HOH A 262 27.472 37.346 9.823 1.00 48.87 O +HETATM 2304 O HOH A 263 21.148 35.124 7.381 1.00 49.20 O +HETATM 2305 O HOH A 264 30.298 31.029 13.319 1.00 49.91 O +HETATM 2306 O HOH A 265 25.803 15.817 -9.316 1.00 49.93 O +HETATM 2307 O HOH A 266 35.847 41.738 -7.601 1.00 50.47 O +HETATM 2308 O HOH A 267 12.609 16.083 3.419 1.00 50.71 O +HETATM 2309 O HOH A 268 20.706 21.023 20.287 1.00 51.37 O +HETATM 2310 O HOH A 269 11.984 34.575 -14.884 1.00 51.54 O +HETATM 2311 O HOH A 270 23.433 47.169 12.027 1.00 51.61 O +HETATM 2312 O HOH A 271 34.602 33.512 -8.740 1.00 52.46 O +HETATM 2313 O HOH A 272 15.375 42.259 4.422 1.00 52.53 O +HETATM 2314 O HOH A 273 20.577 37.022 -10.402 1.00 52.69 O +HETATM 2315 O HOH A 274 23.664 39.006 10.758 1.00 53.06 O +HETATM 2316 O HOH A 275 4.762 38.500 -13.728 1.00 53.21 O +HETATM 2317 O HOH A 276 24.954 44.486 -8.362 0.50 53.33 O +HETATM 2318 O HOH A 277 32.494 12.652 -9.021 1.00 53.36 O +HETATM 2319 O HOH A 278 19.175 23.946 19.117 1.00 53.44 O +HETATM 2320 O HOH A 279 25.608 37.683 -9.034 1.00 53.75 O +HETATM 2321 O HOH A 280 22.741 12.904 -9.141 1.00 53.82 O +HETATM 2322 O HOH A 281 38.032 13.748 0.217 1.00 54.41 O +HETATM 2323 O HOH A 282 42.046 34.419 0.748 1.00 54.65 O +HETATM 2324 O HOH A 283 23.595 43.949 11.285 1.00 54.66 O +HETATM 2325 O HOH A 284 20.096 13.344 -10.168 1.00 54.96 O +HETATM 2326 O HOH A 285 17.587 43.828 -3.227 1.00 55.44 O +HETATM 2327 O HOH A 286 -0.406 28.401 -2.246 1.00 55.93 O +HETATM 2328 O HOH A 287 21.366 23.074 21.412 1.00 56.28 O +HETATM 2329 O HOH A 288 13.446 27.899 13.605 1.00 56.33 O +HETATM 2330 O HOH A 289 10.831 17.514 -3.627 1.00 56.38 O +HETATM 2331 O HOH A 290 15.955 19.156 18.873 1.00 56.50 O +HETATM 2332 O HOH A 291 13.864 29.171 10.042 1.00 56.53 O +HETATM 2333 O HOH A 292 28.426 51.337 12.565 1.00 56.73 O +HETATM 2334 O HOH A 293 4.968 37.499 -9.863 1.00 56.92 O +HETATM 2335 O HOH A 294 7.956 29.377 4.264 1.00 56.94 O +HETATM 2336 O HOH A 295 32.981 36.878 11.677 1.00 57.62 O +HETATM 2337 O HOH A 296 22.080 31.662 -10.411 1.00 57.74 O +HETATM 2338 O HOH A 297 35.235 35.276 -6.444 1.00 58.47 O +HETATM 2339 O HOH A 298 14.614 22.673 8.903 1.00 58.75 O +HETATM 2340 O HOH A 299 27.392 42.732 -8.162 1.00 59.69 O +HETATM 2341 O HOH A 300 18.536 26.391 19.488 1.00 59.83 O +HETATM 2342 O HOH A 301 18.509 19.458 20.469 1.00 59.98 O +HETATM 2343 O HOH A 302 26.677 44.497 12.129 1.00 60.48 O +HETATM 2344 O HOH A 303 18.457 22.740 -12.590 1.00 60.49 O +HETATM 2345 O HOH A 304 15.084 13.434 -5.681 0.50 60.55 O +HETATM 2346 O HOH A 305 31.501 31.822 10.912 1.00 60.75 O +HETATM 2347 O HOH A 306 39.947 24.390 -3.695 1.00 60.77 O +HETATM 2348 O HOH A 307 19.245 12.389 -6.039 1.00 61.13 O +HETATM 2349 O HOH A 308 14.617 19.751 11.805 1.00 61.47 O +HETATM 2350 O HOH A 309 11.040 32.429 7.098 1.00 61.47 O +HETATM 2351 O HOH A 310 30.871 38.537 10.030 1.00 61.47 O +HETATM 2352 O HOH A 311 9.038 19.276 3.360 1.00 61.63 O +HETATM 2353 O HOH A 312 14.192 20.035 14.272 1.00 61.66 O +HETATM 2354 O HOH A 313 19.088 48.760 0.840 1.00 63.25 O +HETATM 2355 O HOH A 314 45.197 23.152 2.809 1.00 63.42 O +HETATM 2356 O HOH A 315 32.694 48.105 3.210 1.00 63.47 O +HETATM 2357 O HOH A 316 14.453 42.021 -6.064 1.00 63.85 O +HETATM 2358 O HOH A 317 23.766 11.983 -6.706 1.00 67.05 O +HETATM 2359 O HOH A 318 23.599 39.335 -10.699 1.00 67.41 O +HETATM 2360 O HOH A 319 23.675 36.882 14.374 1.00 67.83 O +HETATM 2361 O HOH A 320 16.842 15.053 -7.728 1.00 67.90 O +HETATM 2362 O HOH A 321 34.206 37.578 -11.338 1.00 68.76 O +HETATM 2363 O HOH A 322 30.646 33.589 -10.455 1.00 69.19 O +HETATM 2364 O HOH A 323 26.427 50.395 14.289 1.00 71.67 O +HETATM 2365 O HOH A 324 11.688 23.379 10.087 1.00 72.96 O +HETATM 2366 O HOH A 325 5.382 23.837 -2.570 1.00 73.52 O +HETATM 2367 O HOH A 326 12.954 16.999 11.283 1.00 73.55 O +HETATM 2368 O HOH A 327 36.805 12.229 -6.999 1.00 74.67 O +HETATM 2369 O HOH A 328 6.662 21.200 -10.641 1.00 76.31 O +HETATM 2370 O HOH A 329 18.219 47.305 3.023 1.00 81.65 O +HETATM 2371 O HOH A 330 42.350 20.145 -1.280 1.00 82.29 O +HETATM 2372 O HOH B 154 21.796 -2.683 9.157 0.25 5.61 O +HETATM 2373 O HOH B 155 20.578 16.278 10.612 1.00 11.56 O +HETATM 2374 O HOH B 156 20.568 14.499 1.641 1.00 12.62 O +HETATM 2375 O HOH B 157 35.440 -0.438 7.732 1.00 12.90 O +HETATM 2376 O HOH B 158 27.105 -3.324 15.184 1.00 13.03 O +HETATM 2377 O HOH B 159 21.898 -1.927 7.740 0.75 14.42 O +HETATM 2378 O HOH B 160 26.099 -2.853 5.280 1.00 16.20 O +HETATM 2379 O HOH B 161 36.722 -1.253 10.014 1.00 16.44 O +HETATM 2380 O HOH B 162 26.222 1.768 -0.503 1.00 17.22 O +HETATM 2381 O HOH B 163 35.277 10.098 5.756 1.00 17.23 O +HETATM 2382 O HOH B 164 15.803 12.202 7.393 0.25 17.62 O +HETATM 2383 O HOH B 165 31.166 1.661 20.283 1.00 18.65 O +HETATM 2384 O HOH B 166 12.473 -2.474 27.055 1.00 19.19 O +HETATM 2385 O HOH B 167 39.828 9.667 10.634 1.00 19.26 O +HETATM 2386 O HOH B 168 32.171 2.516 2.837 1.00 20.26 O +HETATM 2387 O HOH B 169 23.374 -1.856 5.450 1.00 20.68 O +HETATM 2388 O HOH B 170 14.536 11.248 6.978 0.25 20.73 O +HETATM 2389 O HOH B 171 20.270 8.225 -4.582 1.00 22.29 O +HETATM 2390 O HOH B 172 39.908 5.914 21.366 1.00 22.29 O +HETATM 2391 O HOH B 173 19.477 -3.547 7.548 1.00 22.49 O +HETATM 2392 O HOH B 174 10.131 0.630 16.546 1.00 23.10 O +HETATM 2393 O HOH B 175 9.722 10.697 11.758 1.00 23.77 O +HETATM 2394 O HOH B 176 30.307 -6.356 4.760 1.00 23.99 O +HETATM 2395 O HOH B 177 19.883 -13.141 13.241 1.00 24.19 O +HETATM 2396 O HOH B 178 30.721 -5.076 21.371 1.00 24.85 O +HETATM 2397 O HOH B 179 17.657 4.363 -2.954 1.00 25.17 O +HETATM 2398 O HOH B 180 15.129 -6.859 22.055 1.00 25.61 O +HETATM 2399 O HOH B 181 22.165 4.525 -2.382 1.00 26.05 O +HETATM 2400 O HOH B 182 33.385 13.817 5.940 1.00 26.09 O +HETATM 2401 O HOH B 183 27.131 -15.207 11.157 1.00 26.58 O +HETATM 2402 O HOH B 184 28.235 13.815 22.628 1.00 26.67 O +HETATM 2403 O HOH B 185 20.841 2.742 -0.194 1.00 27.15 O +HETATM 2404 O HOH B 186 20.130 5.461 -3.811 1.00 28.74 O +HETATM 2405 O HOH B 187 21.777 -1.389 24.078 1.00 29.17 O +HETATM 2406 O HOH B 188 11.698 5.696 7.314 1.00 29.52 O +HETATM 2407 O HOH B 189 38.120 8.155 16.979 1.00 29.94 O +HETATM 2408 O HOH B 190 18.932 15.032 7.671 1.00 29.97 O +HETATM 2409 O HOH B 191 32.342 -9.862 11.982 1.00 30.39 O +HETATM 2410 O HOH B 192 40.171 6.927 18.709 1.00 30.46 O +HETATM 2411 O HOH B 193 18.740 -6.593 7.433 1.00 30.62 O +HETATM 2412 O HOH B 194 21.032 1.497 24.878 1.00 30.65 O +HETATM 2413 O HOH B 195 10.371 -1.926 15.288 1.00 30.69 O +HETATM 2414 O HOH B 196 30.103 -10.414 17.164 1.00 30.90 O +HETATM 2415 O HOH B 197 23.682 -5.532 21.808 1.00 30.96 O +HETATM 2416 O HOH B 198 17.942 -9.304 14.304 1.00 31.00 O +HETATM 2417 O HOH B 199 35.281 15.714 8.174 1.00 31.07 O +HETATM 2418 O HOH B 200 13.662 10.173 5.825 0.50 31.13 O +HETATM 2419 O HOH B 201 13.507 0.625 5.380 1.00 31.35 O +HETATM 2420 O HOH B 202 36.109 17.733 10.410 1.00 31.57 O +HETATM 2421 O HOH B 203 21.682 -14.441 4.047 1.00 32.48 O +HETATM 2422 O HOH B 204 25.874 0.316 21.310 1.00 33.14 O +HETATM 2423 O HOH B 205 10.020 1.071 24.186 1.00 33.14 O +HETATM 2424 O HOH B 206 12.636 6.749 4.867 1.00 33.24 O +HETATM 2425 O HOH B 207 37.033 12.666 22.578 1.00 33.41 O +HETATM 2426 O HOH B 208 36.686 -9.929 15.247 1.00 33.60 O +HETATM 2427 O HOH B 209 6.884 -1.827 22.405 1.00 33.82 O +HETATM 2428 O HOH B 210 39.421 -3.033 13.266 1.00 33.91 O +HETATM 2429 O HOH B 211 17.898 15.876 4.903 1.00 34.03 O +HETATM 2430 O HOH B 212 9.702 6.729 11.337 1.00 34.30 O +HETATM 2431 O HOH B 213 12.683 14.621 13.498 1.00 34.34 O +HETATM 2432 O HOH B 214 31.114 -2.527 2.088 1.00 34.57 O +HETATM 2433 O HOH B 215 21.490 11.727 -5.002 1.00 34.66 O +HETATM 2434 O HOH B 216 39.714 6.587 14.040 1.00 34.71 O +HETATM 2435 O HOH B 217 11.267 -4.495 19.532 1.00 34.95 O +HETATM 2436 O HOH B 218 16.653 14.508 9.188 1.00 35.04 O +HETATM 2437 O HOH B 219 22.025 -8.991 19.435 1.00 35.33 O +HETATM 2438 O HOH B 220 28.633 0.806 21.177 1.00 35.66 O +HETATM 2439 O HOH B 221 17.546 9.114 -4.776 1.00 35.70 O +HETATM 2440 O HOH B 222 25.713 -2.412 21.549 1.00 35.94 O +HETATM 2441 O HOH B 223 23.631 -4.322 1.795 1.00 36.15 O +HETATM 2442 O HOH B 224 17.042 3.850 26.978 1.00 36.20 O +HETATM 2443 O HOH B 225 32.357 21.827 15.862 1.00 36.27 O +HETATM 2444 O HOH B 226 14.747 -7.626 17.026 1.00 36.36 O +HETATM 2445 O HOH B 227 45.405 17.855 20.388 1.00 36.36 O +HETATM 2446 O HOH B 228 33.897 -11.945 10.592 1.00 36.56 O +HETATM 2447 O HOH B 229 13.755 -5.191 18.684 1.00 36.63 O +HETATM 2448 O HOH B 230 29.858 2.565 24.642 1.00 36.67 O +HETATM 2449 O HOH B 231 37.263 -2.878 17.738 1.00 37.06 O +HETATM 2450 O HOH B 232 8.069 1.999 15.688 1.00 37.62 O +HETATM 2451 O HOH B 233 38.303 -4.709 19.908 1.00 37.87 O +HETATM 2452 O HOH B 234 31.330 8.483 0.385 1.00 38.07 O +HETATM 2453 O HOH B 235 40.194 2.422 10.036 1.00 38.20 O +HETATM 2454 O HOH B 236 18.499 -13.292 7.020 1.00 38.63 O +HETATM 2455 O HOH B 237 30.883 -8.865 4.207 1.00 39.33 O +HETATM 2456 O HOH B 238 8.973 -5.422 21.761 1.00 39.34 O +HETATM 2457 O HOH B 239 26.999 18.062 19.675 1.00 39.35 O +HETATM 2458 O HOH B 240 17.053 -9.931 7.461 1.00 39.38 O +HETATM 2459 O HOH B 241 37.385 13.949 6.299 1.00 39.60 O +HETATM 2460 O HOH B 242 18.089 -1.759 5.531 1.00 39.92 O +HETATM 2461 O HOH B 243 37.349 7.609 3.754 1.00 40.22 O +HETATM 2462 O HOH B 244 13.309 3.537 -5.483 1.00 40.83 O +HETATM 2463 O HOH B 245 7.382 7.173 22.167 1.00 41.07 O +HETATM 2464 O HOH B 246 29.359 -0.364 2.467 1.00 41.34 O +HETATM 2465 O HOH B 247 28.017 -4.886 21.631 1.00 42.67 O +HETATM 2466 O HOH B 248 27.968 -11.588 3.556 1.00 42.87 O +HETATM 2467 O HOH B 249 32.900 -6.066 2.946 1.00 42.94 O +HETATM 2468 O HOH B 250 23.503 4.209 27.321 1.00 43.48 O +HETATM 2469 O HOH B 251 41.249 4.788 15.050 1.00 43.58 O +HETATM 2470 O HOH B 252 19.221 14.510 22.240 1.00 43.65 O +HETATM 2471 O HOH B 253 23.725 -11.865 18.300 1.00 43.84 O +HETATM 2472 O HOH B 254 32.734 -8.935 20.898 1.00 43.98 O +HETATM 2473 O HOH B 255 14.250 13.527 20.955 1.00 44.12 O +HETATM 2474 O HOH B 256 28.367 -4.385 3.766 1.00 44.29 O +HETATM 2475 O HOH B 257 13.431 13.471 1.701 1.00 44.40 O +HETATM 2476 O HOH B 258 37.000 -9.126 7.267 1.00 44.59 O +HETATM 2477 O HOH B 259 27.938 16.959 21.954 1.00 44.61 O +HETATM 2478 O HOH B 260 41.978 -6.653 11.806 1.00 44.74 O +HETATM 2479 O HOH B 261 40.667 10.976 13.924 1.00 44.81 O +HETATM 2480 O HOH B 262 30.753 -13.482 12.941 1.00 45.29 O +HETATM 2481 O HOH B 263 41.533 -3.078 5.430 1.00 45.89 O +HETATM 2482 O HOH B 264 37.498 -8.310 20.433 1.00 46.59 O +HETATM 2483 O HOH B 265 33.589 -0.384 1.269 1.00 46.68 O +HETATM 2484 O HOH B 266 34.548 20.069 20.713 1.00 46.95 O +HETATM 2485 O HOH B 267 38.504 19.707 18.267 1.00 46.95 O +HETATM 2486 O HOH B 268 10.982 5.736 29.100 1.00 46.97 O +HETATM 2487 O HOH B 269 29.285 -2.128 4.048 1.00 47.41 O +HETATM 2488 O HOH B 270 39.440 -11.901 15.621 1.00 47.54 O +HETATM 2489 O HOH B 271 22.888 -8.091 21.716 1.00 47.79 O +HETATM 2490 O HOH B 272 7.106 7.770 25.065 1.00 47.89 O +HETATM 2491 O HOH B 273 38.914 16.144 7.915 1.00 47.96 O +HETATM 2492 O HOH B 274 32.428 -10.586 14.444 1.00 48.14 O +HETATM 2493 O HOH B 275 40.397 9.251 15.769 1.00 49.09 O +HETATM 2494 O HOH B 276 37.263 -9.804 17.837 1.00 49.18 O +HETATM 2495 O HOH B 277 33.910 16.386 5.927 1.00 49.33 O +HETATM 2496 O HOH B 278 31.528 5.559 -0.837 1.00 49.49 O +HETATM 2497 O HOH B 279 13.798 5.111 28.262 1.00 49.60 O +HETATM 2498 O HOH B 280 8.420 -1.071 13.530 1.00 50.43 O +HETATM 2499 O HOH B 281 18.300 -14.032 10.272 1.00 50.45 O +HETATM 2500 O HOH B 282 7.869 -2.306 28.245 1.00 50.55 O +HETATM 2501 O HOH B 283 13.860 15.327 16.355 1.00 50.73 O +HETATM 2502 O HOH B 284 34.887 13.441 24.172 1.00 51.25 O +HETATM 2503 O HOH B 285 30.785 1.169 0.904 1.00 51.59 O +HETATM 2504 O HOH B 286 19.310 3.158 25.180 1.00 51.89 O +HETATM 2505 O HOH B 287 39.933 5.210 6.080 1.00 51.92 O +HETATM 2506 O HOH B 288 20.725 3.236 27.514 1.00 52.12 O +HETATM 2507 O HOH B 289 23.262 1.648 24.007 1.00 52.16 O +HETATM 2508 O HOH B 290 16.121 -9.128 19.794 1.00 52.43 O +HETATM 2509 O HOH B 291 33.912 -11.609 18.330 1.00 54.48 O +HETATM 2510 O HOH B 292 36.381 -12.646 12.002 1.00 54.71 O +HETATM 2511 O HOH B 293 39.359 -2.482 15.819 1.00 54.95 O +HETATM 2512 O HOH B 294 22.200 -12.246 1.990 1.00 54.98 O +HETATM 2513 O HOH B 295 3.595 5.764 9.033 1.00 55.28 O +HETATM 2514 O HOH B 296 40.081 -5.862 4.748 1.00 55.62 O +HETATM 2515 O HOH B 297 40.471 3.626 2.602 1.00 56.67 O +HETATM 2516 O HOH B 298 25.441 -4.402 20.941 1.00 56.85 O +HETATM 2517 O HOH B 299 33.624 4.467 1.688 1.00 56.92 O +HETATM 2518 O HOH B 300 34.592 9.880 1.359 1.00 57.27 O +HETATM 2519 O HOH B 301 5.649 4.657 16.707 1.00 57.44 O +HETATM 2520 O HOH B 302 6.588 -6.142 25.069 1.00 57.70 O +HETATM 2521 O HOH B 303 38.409 -12.079 18.133 1.00 58.26 O +HETATM 2522 O HOH B 304 12.904 -6.936 20.872 1.00 58.63 O +HETATM 2523 O HOH B 305 34.978 -12.200 14.592 1.00 58.87 O +HETATM 2524 O HOH B 306 36.068 20.628 6.950 1.00 58.99 O +HETATM 2525 O HOH B 307 37.167 -8.451 4.794 1.00 59.87 O +HETATM 2526 O HOH B 308 19.959 -16.375 12.735 1.00 59.95 O +HETATM 2527 O HOH B 309 39.976 7.754 2.491 1.00 61.37 O +HETATM 2528 O HOH B 310 19.641 17.849 22.382 1.00 61.47 O +HETATM 2529 O HOH B 311 21.910 8.094 28.845 1.00 61.47 O +HETATM 2530 O HOH B 312 21.682 -2.620 3.578 1.00 61.47 O +HETATM 2531 O HOH B 313 15.145 1.067 -1.508 1.00 61.82 O +HETATM 2532 O HOH B 314 19.274 -3.364 3.466 1.00 61.99 O +HETATM 2533 O HOH B 315 18.797 -11.024 16.238 1.00 62.71 O +HETATM 2534 O HOH B 316 20.789 -18.721 10.701 1.00 63.14 O +HETATM 2535 O HOH B 317 40.218 -7.746 7.128 1.00 64.11 O +HETATM 2536 O HOH B 318 6.375 4.497 13.665 1.00 64.64 O +HETATM 2537 O HOH B 319 18.677 -17.930 7.721 1.00 66.70 O +HETATM 2538 O HOH B 320 14.429 18.062 16.293 1.00 67.01 O +HETATM 2539 O HOH B 321 39.122 20.314 21.368 1.00 69.51 O +HETATM 2540 O HOH B 322 10.686 -0.981 8.535 1.00 69.55 O +HETATM 2541 O HOH B 323 36.567 11.191 25.880 1.00 71.39 O +HETATM 2542 O HOH B 324 15.466 -10.865 17.409 1.00 71.97 O +HETATM 2543 O HOH B 325 25.060 -4.455 3.909 1.00 79.25 O +CONECT 322 2190 +CONECT 343 2190 +CONECT 410 1041 +CONECT 448 2191 +CONECT 451 2190 +CONECT 518 2191 +CONECT 582 2191 +CONECT 603 2191 +CONECT 863 2190 +CONECT 1041 410 +CONECT 1415 2192 +CONECT 1436 2192 +CONECT 1503 2137 +CONECT 1539 2193 +CONECT 1542 2192 +CONECT 1609 2193 +CONECT 1673 2193 +CONECT 1694 2193 +CONECT 1959 2192 +CONECT 2137 1503 +CONECT 2190 322 343 451 863 +CONECT 2190 2208 +CONECT 2191 448 518 582 603 +CONECT 2192 1415 1436 1542 1959 +CONECT 2192 2372 2377 +CONECT 2193 1539 1609 1673 1694 +CONECT 2208 2190 +CONECT 2372 2192 +CONECT 2377 2192 +MASTER 404 0 4 4 18 0 12 9 2502 2 29 24 +END diff --git a/tests/structure/data/3bww.pdb b/tests/structure/data/3bww.pdb new file mode 100644 index 000000000..c0e3c8c32 --- /dev/null +++ b/tests/structure/data/3bww.pdb @@ -0,0 +1,2898 @@ +HEADER METAL BINDING PROTEIN 10-JAN-08 3BWW +TITLE CRYSTAL STRUCTURE OF A DUF692 FAMILY PROTEIN (HS_1138) FROM +TITLE 2 HAEMOPHILUS SOMNUS 129PT AT 2.20 A RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION DUF692/COG3220; +COMPND 3 CHAIN: A; +COMPND 4 FRAGMENT: RESIDUES 62-367; +COMPND 5 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS; +SOURCE 3 ORGANISM_TAXID: 205914; +SOURCE 4 STRAIN: 129PT; +SOURCE 5 GENE: YP_719350.1, HS_1138; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET +KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, +KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, METAL BINDING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +REVDAT 7 25-JAN-23 3BWW 1 REMARK SEQADV +REVDAT 6 24-JUL-19 3BWW 1 REMARK LINK +REVDAT 5 25-OCT-17 3BWW 1 REMARK +REVDAT 4 13-JUL-11 3BWW 1 VERSN +REVDAT 3 23-MAR-11 3BWW 1 HEADER TITLE KEYWDS +REVDAT 2 24-FEB-09 3BWW 1 VERSN +REVDAT 1 22-JAN-08 3BWW 0 +JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) +JRNL TITL CRYSTAL STRUCTURE OF PROTEIN OF UNKNOWN FUNCTION +JRNL TITL 2 (DUF692/COG3220) (YP_719350.1) FROM HAEMOPHILUS SOMNUS 129PT +JRNL TITL 3 AT 2.20 A RESOLUTION +JRNL REF TO BE PUBLISHED +JRNL REFN +REMARK 2 +REMARK 2 RESOLUTION. 2.20 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.2.0019 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.69 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 +REMARK 3 NUMBER OF REFLECTIONS : 17291 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.198 +REMARK 3 R VALUE (WORKING SET) : 0.195 +REMARK 3 FREE R VALUE : 0.260 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 +REMARK 3 FREE R VALUE TEST SET COUNT : 883 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.26 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 924 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 75.23 +REMARK 3 BIN R VALUE (WORKING SET) : 0.4520 +REMARK 3 BIN FREE R VALUE SET COUNT : 42 +REMARK 3 BIN FREE R VALUE : 0.5910 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1986 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 15 +REMARK 3 SOLVENT ATOMS : 123 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 B VALUE TYPE : LIKELY RESIDUAL +REMARK 3 FROM WILSON PLOT (A**2) : 34.91 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.10 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : 1.26000 +REMARK 3 B22 (A**2) : 1.72000 +REMARK 3 B33 (A**2) : -2.98000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.234 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.214 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.206 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 17.664 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.907 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2092 ; 0.018 ; 0.022 +REMARK 3 BOND LENGTHS OTHERS (A): 1379 ; 0.002 ; 0.020 +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2843 ; 1.707 ; 1.958 +REMARK 3 BOND ANGLES OTHERS (DEGREES): 3371 ; 1.010 ; 3.000 +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 261 ; 6.471 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 96 ;39.285 ;24.479 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 348 ;15.662 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;17.812 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 318 ; 0.094 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2344 ; 0.006 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): 415 ; 0.001 ; 0.020 +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 416 ; 0.200 ; 0.200 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1394 ; 0.187 ; 0.200 +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 987 ; 0.183 ; 0.200 +REMARK 3 NON-BONDED TORSION OTHERS (A): 1089 ; 0.089 ; 0.200 +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 89 ; 0.173 ; 0.200 +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 1 ; 0.278 ; 0.200 +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 8 ; 0.164 ; 0.200 +REMARK 3 SYMMETRY VDW OTHERS (A): 21 ; 0.323 ; 0.200 +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 3 ; 0.161 ; 0.200 +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1338 ; 0.818 ; 1.500 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 520 ; 0.147 ; 1.500 +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2086 ; 1.450 ; 2.000 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 863 ; 2.143 ; 3.000 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 757 ; 3.109 ; 4.500 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : 1 +REMARK 3 +REMARK 3 TLS GROUP : 1 +REMARK 3 NUMBER OF COMPONENTS GROUP : 1 +REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI +REMARK 3 RESIDUE RANGE : A 0 A 306 +REMARK 3 ORIGIN FOR THE GROUP (A): 34.6318 40.6090 15.4131 +REMARK 3 T TENSOR +REMARK 3 T11: -0.1547 T22: -0.1910 +REMARK 3 T33: -0.1752 T12: 0.0492 +REMARK 3 T13: 0.0167 T23: 0.0362 +REMARK 3 L TENSOR +REMARK 3 L11: 0.9469 L22: 1.2623 +REMARK 3 L33: 4.2166 L12: 0.2990 +REMARK 3 L13: 0.2255 L23: -0.5140 +REMARK 3 S TENSOR +REMARK 3 S11: 0.0621 S12: -0.1299 S13: -0.1110 +REMARK 3 S21: 0.1259 S22: 0.0217 S23: 0.0099 +REMARK 3 S31: 0.1640 S32: 0.0284 S33: -0.0838 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: +REMARK 3 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. +REMARK 3 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. +REMARK 3 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE +REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY +REMARK 3 OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 +REMARK 3 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL +REMARK 3 S-MET INCORPORATION. +REMARK 3 4. THE PRESENCE OF IRON AND ARSENIC WERE CONFIRMED BY X-RAY +REMARK 3 FLUORESCENCE. THE METAL IDENTITY AT THE INDIVIDUAL FE AND +REMARK 3 CACODYLATE ION SITES WAS BASED ON ANOMALOUS DIFFERENCE FOURIER +REMARK 3 MAP COMPARISONS WITH DATA COLLECTED ABOVE AND BELOW THE FOLLOWING +REMARK 3 K ABSORPTION EDGES: FE, ZN, AS AND SE. +REMARK 4 +REMARK 4 3BWW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-08. +REMARK 100 THE DEPOSITION ID IS D_1000046057. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 27-OCT-07 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.33 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : APS +REMARK 200 BEAMLINE : 23-ID-D +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.91840, 0.97939, 0.97953 +REMARK 200 MONOCHROMATOR : SI(111) DOUBLE CRYSTAL +REMARK 200 OPTICS : ADJUSTABLE FOCUSING MIRRORS IN K +REMARK 200 -B GEOMETRY +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM +REMARK 200 DATA SCALING SOFTWARE : SCALA +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17792 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 +REMARK 200 RESOLUTION RANGE LOW (A) : 28.689 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 +REMARK 200 DATA REDUNDANCY : 3.600 +REMARK 200 R MERGE (I) : 0.11000 +REMARK 200 R SYM (I) : 0.11000 +REMARK 200 FOR THE DATA SET : 4.5000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.26 +REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 +REMARK 200 R MERGE FOR SHELL (I) : 0.60000 +REMARK 200 R SYM FOR SHELL (I) : 0.60000 +REMARK 200 FOR SHELL : 0.700 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: MAD +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD +REMARK 200 SOFTWARE USED: SOLVE +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 48.18 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NANODROP, 7.5% PEG 8000, 34.0% 2 +REMARK 280 -METHYL-2,4-PENTANEDIOL, 0.1M SODIUM CACODYLATE PH 6.33, VAPOR +REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 293K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.78600 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 47.79250 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.99600 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 47.79250 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.78600 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 32.99600 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 CYS A 98 +REMARK 465 GLU A 99 +REMARK 465 CYS A 100 +REMARK 465 ASP A 101 +REMARK 465 GLY A 102 +REMARK 465 HIS A 103 +REMARK 465 LEU A 104 +REMARK 465 TYR A 105 +REMARK 465 ASP A 106 +REMARK 465 GLY A 206 +REMARK 465 HIS A 207 +REMARK 465 ASP A 208 +REMARK 465 ASP A 209 +REMARK 465 GLU A 210 +REMARK 465 HIS A 211 +REMARK 465 ALA A 212 +REMARK 465 ALA A 213 +REMARK 465 THR A 214 +REMARK 465 GLU A 215 +REMARK 465 VAL A 216 +REMARK 465 GLN A 217 +REMARK 465 ILE A 218 +REMARK 465 GLN A 219 +REMARK 465 THR A 220 +REMARK 465 SER A 221 +REMARK 465 GLU A 222 +REMARK 465 SER A 223 +REMARK 465 PHE A 224 +REMARK 465 ASN A 225 +REMARK 465 LYS A 226 +REMARK 465 ILE A 227 +REMARK 465 LYS A 228 +REMARK 465 GLY A 229 +REMARK 465 ASP A 230 +REMARK 465 LEU A 231 +REMARK 465 ARG A 232 +REMARK 465 HIS A 233 +REMARK 465 LEU A 234 +REMARK 465 PRO A 235 +REMARK 465 PRO A 236 +REMARK 465 LEU A 237 +REMARK 465 LEU A 238 +REMARK 465 VAL A 239 +REMARK 465 ASP A 240 +REMARK 465 THR A 241 +REMARK 465 HIS A 242 +REMARK 465 GLY A 243 +REMARK 465 GLU A 244 +REMARK 465 ASN A 245 +REMARK 465 VAL A 246 +REMARK 465 LYS A 247 +REMARK 465 ASP A 272 +REMARK 465 PHE A 273 +REMARK 465 ASN A 274 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ARG A 11 CG CD NE CZ NH1 NH2 +REMARK 470 ARG A 21 NE CZ NH1 NH2 +REMARK 470 LYS A 38 CE NZ +REMARK 470 SER A 64 OG +REMARK 470 LYS A 73 CG CD CE NZ +REMARK 470 GLU A 74 CD OE1 OE2 +REMARK 470 LYS A 84 CG CD CE NZ +REMARK 470 PHE A 97 CG CD1 CD2 CE1 CE2 CZ +REMARK 470 LEU A 107 CB CG CD1 CD2 +REMARK 470 LEU A 108 CB CG CD1 CD2 +REMARK 470 TYR A 143 CG CD1 CD2 CE1 CE2 CZ OH +REMARK 470 LEU A 144 CG CD1 CD2 +REMARK 470 GLU A 147 CD OE1 OE2 +REMARK 470 LYS A 197 CE NZ +REMARK 470 THR A 249 OG1 CG2 +REMARK 470 PHE A 275 CG CD1 CD2 CE1 CE2 CZ +REMARK 470 LYS A 280 CG CD CE NZ +REMARK 470 LYS A 283 NZ +REMARK 470 GLU A 284 CD OE1 OE2 +REMARK 470 LYS A 297 CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 FE FE A 307 O HOH A 334 1.68 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 PRO A 276 C - N - CA ANGL. DEV. = 9.2 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LEU A 108 141.77 -37.94 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FE A 307 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 59 NE2 +REMARK 620 2 HIS A 94 NE2 97.1 +REMARK 620 3 GLU A 138 OE1 87.1 80.3 +REMARK 620 4 CAC A 309 O1 173.3 78.7 97.2 +REMARK 620 5 HOH A 323 O 90.8 89.6 169.3 84.0 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 FE A 308 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 GLU A 138 OE2 +REMARK 620 2 ASP A 171 OD2 95.5 +REMARK 620 3 HIS A 203 ND1 96.5 106.5 +REMARK 620 4 GLU A 270 OE1 171.9 78.1 80.9 +REMARK 620 5 CAC A 309 O2 91.5 76.6 171.1 91.8 +REMARK 620 6 HOH A 334 O 84.5 162.6 90.8 103.1 86.1 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A 307 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A 308 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CAC A 309 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 310 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 311 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 374865 RELATED DB: TARGETDB +REMARK 999 +REMARK 999 SEQUENCE +REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG +REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE +REMARK 999 LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. +DBREF 3BWW A 1 306 UNP Q0I408 Q0I408_HAES1 62 367 +SEQADV 3BWW GLY A 0 UNP Q0I408 EXPRESSION TAG +SEQRES 1 A 307 GLY MSE ARG GLN GLY ALA GLY LEU GLY TYR ARG ARG ASP +SEQRES 2 A 307 LEU ALA GLU GLY PHE LEU GLN LEU ARG ASN ASN ASP ARG +SEQRES 3 A 307 ILE GLN PHE MSE GLU ILE ALA PRO GLU ASN TRP ILE LYS +SEQRES 4 A 307 MSE GLY GLY PHE ALA ARG TYR GLN PHE ASP LYS VAL ALA +SEQRES 5 A 307 GLU LYS ILE PRO ILE LEU ILE HIS GLY LEU SER LEU SER +SEQRES 6 A 307 LEU GLY GLY GLN ALA PRO LEU ASP LYS GLU LEU LEU SER +SEQRES 7 A 307 SER ILE LYS ALA MSE ILE LYS GLN TYR ASN THR PRO PHE +SEQRES 8 A 307 PHE SER ASP HIS LEU SER PHE CYS GLU CYS ASP GLY HIS +SEQRES 9 A 307 LEU TYR ASP LEU LEU PRO MSE PRO PHE THR ASP GLU ALA +SEQRES 10 A 307 VAL LYS HIS THR ALA ALA ARG ILE ARG GLU VAL GLN ASP +SEQRES 11 A 307 PHE LEU GLU ILE GLN ILE SER VAL GLU ASN THR SER TYR +SEQRES 12 A 307 TYR LEU HIS SER GLU THR SER THR MSE ASN GLU VAL GLU +SEQRES 13 A 307 PHE LEU ASN ALA ILE VAL GLN GLU ALA ASN CYS GLY ILE +SEQRES 14 A 307 HIS LEU ASP VAL ASN ASN ILE TYR VAL ASN ALA VAL ASN +SEQRES 15 A 307 HIS GLY LEU LEU ASP PRO HIS VAL PHE ILE ASP ASN VAL +SEQRES 16 A 307 ASP LEU LYS ARG VAL ASN TYR ILE HIS ILE ALA GLY HIS +SEQRES 17 A 307 ASP ASP GLU HIS ALA ALA THR GLU VAL GLN ILE GLN THR +SEQRES 18 A 307 SER GLU SER PHE ASN LYS ILE LYS GLY ASP LEU ARG HIS +SEQRES 19 A 307 LEU PRO PRO LEU LEU VAL ASP THR HIS GLY GLU ASN VAL +SEQRES 20 A 307 LYS GLY THR VAL TRP ASP LEU LEU GLU TYR THR TYR ALA +SEQRES 21 A 307 ARG LEU SER HIS MSE PRO PRO THR LEU LEU GLU ARG ASP +SEQRES 22 A 307 PHE ASN PHE PRO PRO PHE GLU LYS LEU CYS LYS GLU VAL +SEQRES 23 A 307 ASP ILE ILE HIS GLN LEU GLN GLN LYS TYR VAL LYS LYS +SEQRES 24 A 307 ARG GLY LEU SER TRP LEU LYS ILE +MODRES 3BWW MSE A 1 MET SELENOMETHIONINE +MODRES 3BWW MSE A 29 MET SELENOMETHIONINE +MODRES 3BWW MSE A 39 MET SELENOMETHIONINE +MODRES 3BWW MSE A 82 MET SELENOMETHIONINE +MODRES 3BWW MSE A 110 MET SELENOMETHIONINE +MODRES 3BWW MSE A 151 MET SELENOMETHIONINE +MODRES 3BWW MSE A 264 MET SELENOMETHIONINE +HET MSE A 1 8 +HET MSE A 29 16 +HET MSE A 39 8 +HET MSE A 82 8 +HET MSE A 110 16 +HET MSE A 151 8 +HET MSE A 264 8 +HET FE A 307 1 +HET FE A 308 1 +HET CAC A 309 5 +HET EDO A 310 4 +HET EDO A 311 4 +HETNAM MSE SELENOMETHIONINE +HETNAM FE FE (III) ION +HETNAM CAC CACODYLATE ION +HETNAM EDO 1,2-ETHANEDIOL +HETSYN CAC DIMETHYLARSINATE +HETSYN EDO ETHYLENE GLYCOL +FORMUL 1 MSE 7(C5 H11 N O2 SE) +FORMUL 2 FE 2(FE 3+) +FORMUL 4 CAC C2 H6 AS O2 1- +FORMUL 5 EDO 2(C2 H6 O2) +FORMUL 7 HOH *123(H2 O) +HELIX 1 1 ARG A 10 ASP A 12 5 3 +HELIX 2 2 LEU A 13 LEU A 20 1 8 +HELIX 3 3 ALA A 32 LYS A 38 1 7 +HELIX 4 4 GLY A 40 ALA A 51 1 12 +HELIX 5 5 ASP A 72 TYR A 86 1 15 +HELIX 6 6 THR A 113 GLU A 132 1 20 +HELIX 7 7 ASN A 152 ASN A 165 1 14 +HELIX 8 8 VAL A 172 GLY A 183 1 12 +HELIX 9 9 ASP A 186 VAL A 194 1 9 +HELIX 10 10 ASP A 195 LYS A 197 5 3 +HELIX 11 11 GLY A 248 ALA A 259 1 12 +HELIX 12 12 PRO A 277 GLY A 300 1 24 +SHEET 1 A 8 ILE A 56 ILE A 58 0 +SHEET 2 A 8 MSE A 29 ILE A 31 1 N MSE A 29 O LEU A 57 +SHEET 3 A 8 ALA A 5 GLY A 8 1 N LEU A 7 O GLU A 30 +SHEET 4 A 8 THR A 267 LEU A 269 1 O LEU A 269 N GLY A 6 +SHEET 5 A 8 VAL A 199 ILE A 204 1 N ILE A 202 O LEU A 268 +SHEET 6 A 8 GLY A 167 ASP A 171 1 N LEU A 170 O TYR A 201 +SHEET 7 A 8 SER A 136 GLU A 138 1 N VAL A 137 O HIS A 169 +SHEET 8 A 8 SER A 92 ASP A 93 1 N ASP A 93 O GLU A 138 +LINK C GLY A 0 N MSE A 1 1555 1555 1.34 +LINK C MSE A 1 N ARG A 2 1555 1555 1.33 +LINK C PHE A 28 N AMSE A 29 1555 1555 1.32 +LINK C PHE A 28 N BMSE A 29 1555 1555 1.33 +LINK C AMSE A 29 N GLU A 30 1555 1555 1.33 +LINK C BMSE A 29 N GLU A 30 1555 1555 1.33 +LINK C LYS A 38 N MSE A 39 1555 1555 1.33 +LINK C MSE A 39 N GLY A 40 1555 1555 1.33 +LINK C ALA A 81 N MSE A 82 1555 1555 1.34 +LINK C MSE A 82 N ILE A 83 1555 1555 1.33 +LINK C PRO A 109 N AMSE A 110 1555 1555 1.33 +LINK C PRO A 109 N BMSE A 110 1555 1555 1.34 +LINK C AMSE A 110 N PRO A 111 1555 1555 1.35 +LINK C BMSE A 110 N PRO A 111 1555 1555 1.35 +LINK C THR A 150 N MSE A 151 1555 1555 1.32 +LINK C MSE A 151 N ASN A 152 1555 1555 1.33 +LINK C HIS A 263 N MSE A 264 1555 1555 1.34 +LINK C MSE A 264 N PRO A 265 1555 1555 1.36 +LINK NE2 HIS A 59 FE FE A 307 1555 1555 2.24 +LINK NE2 HIS A 94 FE FE A 307 1555 1555 2.00 +LINK OE1 GLU A 138 FE FE A 307 1555 1555 2.12 +LINK OE2 GLU A 138 FE FE A 308 1555 1555 2.05 +LINK OD2 ASP A 171 FE FE A 308 1555 1555 2.20 +LINK ND1 HIS A 203 FE FE A 308 1555 1555 2.30 +LINK OE1 GLU A 270 FE FE A 308 1555 1555 2.38 +LINK FE FE A 307 O1 CAC A 309 1555 1555 2.33 +LINK FE FE A 307 O HOH A 323 1555 1555 2.44 +LINK FE FE A 308 O2 CAC A 309 1555 1555 2.06 +LINK FE FE A 308 O HOH A 334 1555 1555 2.41 +CISPEP 1 GLY A 0 MSE A 1 0 17.79 +SITE 1 AC1 7 HIS A 59 HIS A 94 GLU A 138 FE A 308 +SITE 2 AC1 7 CAC A 309 HOH A 323 HOH A 334 +SITE 1 AC2 7 GLU A 138 ASP A 171 HIS A 203 GLU A 270 +SITE 2 AC2 7 FE A 307 CAC A 309 HOH A 334 +SITE 1 AC3 9 HIS A 94 GLU A 138 ASP A 171 ASN A 174 +SITE 2 AC3 9 GLU A 270 FE A 307 FE A 308 HOH A 334 +SITE 3 AC3 9 HOH A 370 +SITE 1 AC4 2 THR A 140 GLU A 153 +SITE 1 AC5 3 LYS A 298 HOH A 383 HOH A 422 +CRYST1 53.572 65.992 95.585 90.00 90.00 90.00 P 21 21 21 4 +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 +SCALE1 0.018666 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.015153 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.010462 0.00000 +ATOM 1 N GLY A 0 32.076 51.161 29.817 1.00 61.23 N +ATOM 2 CA GLY A 0 32.907 51.853 28.756 1.00 61.34 C +ATOM 3 C GLY A 0 34.398 51.702 29.058 1.00 60.70 C +ATOM 4 O GLY A 0 34.782 51.765 30.237 1.00 61.37 O +HETATM 5 N MSE A 1 35.270 51.548 28.051 1.00 59.28 N +HETATM 6 CA MSE A 1 35.044 51.858 26.622 1.00 57.90 C +HETATM 7 C MSE A 1 36.066 51.089 25.787 1.00 54.51 C +HETATM 8 O MSE A 1 37.206 50.974 26.192 1.00 54.04 O +HETATM 9 CB MSE A 1 35.285 53.345 26.430 1.00 59.28 C +HETATM 10 CG MSE A 1 34.999 53.849 25.075 1.00 63.57 C +HETATM 11 SE MSE A 1 33.291 54.803 25.011 0.75 78.51 SE +HETATM 12 CE MSE A 1 32.043 53.508 25.944 1.00 76.06 C +ATOM 13 N ARG A 2 35.685 50.559 24.631 1.00 51.36 N +ATOM 14 CA ARG A 2 36.581 49.653 23.887 1.00 48.92 C +ATOM 15 C ARG A 2 37.227 50.247 22.651 1.00 47.23 C +ATOM 16 O ARG A 2 36.566 50.718 21.717 1.00 47.13 O +ATOM 17 CB ARG A 2 35.873 48.376 23.481 1.00 48.39 C +ATOM 18 CG ARG A 2 35.216 47.644 24.624 1.00 48.44 C +ATOM 19 CD ARG A 2 33.690 47.759 24.609 1.00 47.32 C +ATOM 20 NE ARG A 2 33.177 47.530 25.953 1.00 47.27 N +ATOM 21 CZ ARG A 2 32.407 48.373 26.634 1.00 47.53 C +ATOM 22 NH1 ARG A 2 31.971 49.526 26.126 1.00 48.70 N +ATOM 23 NH2 ARG A 2 32.064 48.048 27.857 1.00 48.92 N +ATOM 24 N GLN A 3 38.541 50.169 22.624 1.00 45.29 N +ATOM 25 CA GLN A 3 39.285 50.656 21.497 1.00 44.06 C +ATOM 26 C GLN A 3 40.611 49.946 21.474 1.00 42.00 C +ATOM 27 O GLN A 3 40.935 49.274 22.423 1.00 40.56 O +ATOM 28 CB GLN A 3 39.490 52.145 21.647 1.00 44.40 C +ATOM 29 CG GLN A 3 40.540 52.479 22.663 1.00 46.62 C +ATOM 30 CD GLN A 3 40.730 53.937 22.782 1.00 48.86 C +ATOM 31 OE1 GLN A 3 39.959 54.592 23.465 1.00 53.28 O +ATOM 32 NE2 GLN A 3 41.743 54.476 22.110 1.00 49.65 N +ATOM 33 N GLY A 4 41.365 50.093 20.389 1.00 40.72 N +ATOM 34 CA GLY A 4 42.726 49.583 20.325 1.00 40.04 C +ATOM 35 C GLY A 4 42.845 48.122 20.013 1.00 39.49 C +ATOM 36 O GLY A 4 42.146 47.621 19.137 1.00 39.59 O +ATOM 37 N ALA A 5 43.735 47.445 20.757 1.00 39.49 N +ATOM 38 CA ALA A 5 44.110 46.031 20.574 1.00 38.94 C +ATOM 39 C ALA A 5 43.674 45.207 21.786 1.00 39.13 C +ATOM 40 O ALA A 5 43.942 45.621 22.913 1.00 39.82 O +ATOM 41 CB ALA A 5 45.590 45.900 20.416 1.00 38.61 C +ATOM 42 N GLY A 6 43.081 44.021 21.540 1.00 38.26 N +ATOM 43 CA GLY A 6 42.544 43.114 22.566 1.00 37.00 C +ATOM 44 C GLY A 6 42.758 41.623 22.333 1.00 36.59 C +ATOM 45 O GLY A 6 43.344 41.192 21.363 1.00 36.70 O +ATOM 46 N LEU A 7 42.285 40.821 23.263 1.00 36.44 N +ATOM 47 CA LEU A 7 42.578 39.393 23.298 1.00 36.35 C +ATOM 48 C LEU A 7 41.308 38.648 23.689 1.00 36.80 C +ATOM 49 O LEU A 7 40.519 39.173 24.435 1.00 36.79 O +ATOM 50 CB LEU A 7 43.696 39.123 24.327 1.00 36.39 C +ATOM 51 CG LEU A 7 44.285 37.728 24.343 1.00 35.15 C +ATOM 52 CD1 LEU A 7 44.858 37.468 22.960 1.00 32.24 C +ATOM 53 CD2 LEU A 7 45.320 37.620 25.475 1.00 35.08 C +ATOM 54 N GLY A 8 41.080 37.442 23.184 1.00 37.47 N +ATOM 55 CA GLY A 8 39.858 36.720 23.530 1.00 37.63 C +ATOM 56 C GLY A 8 39.988 36.051 24.882 1.00 38.20 C +ATOM 57 O GLY A 8 41.051 35.557 25.196 1.00 39.06 O +ATOM 58 N TYR A 9 38.909 36.016 25.671 1.00 38.82 N +ATOM 59 CA TYR A 9 38.914 35.338 26.944 1.00 39.46 C +ATOM 60 C TYR A 9 38.677 33.835 26.757 1.00 41.30 C +ATOM 61 O TYR A 9 37.816 33.413 25.981 1.00 41.69 O +ATOM 62 CB TYR A 9 37.874 35.943 27.886 1.00 38.39 C +ATOM 63 CG TYR A 9 37.959 35.410 29.323 1.00 37.60 C +ATOM 64 CD1 TYR A 9 38.813 35.988 30.252 1.00 36.53 C +ATOM 65 CD2 TYR A 9 37.173 34.338 29.743 1.00 36.70 C +ATOM 66 CE1 TYR A 9 38.888 35.517 31.534 1.00 37.37 C +ATOM 67 CE2 TYR A 9 37.239 33.876 31.018 1.00 37.19 C +ATOM 68 CZ TYR A 9 38.110 34.462 31.924 1.00 36.14 C +ATOM 69 OH TYR A 9 38.212 33.984 33.203 1.00 35.53 O +ATOM 70 N ARG A 10 39.497 33.053 27.459 1.00 43.61 N +ATOM 71 CA ARG A 10 39.435 31.586 27.559 1.00 45.12 C +ATOM 72 C ARG A 10 39.599 31.297 29.053 1.00 44.81 C +ATOM 73 O ARG A 10 40.429 31.963 29.687 1.00 44.03 O +ATOM 74 CB ARG A 10 40.620 30.902 26.838 1.00 45.93 C +ATOM 75 CG ARG A 10 40.751 31.069 25.348 1.00 49.63 C +ATOM 76 CD ARG A 10 41.233 29.743 24.637 1.00 57.46 C +ATOM 77 NE ARG A 10 42.563 29.193 25.023 1.00 61.06 N +ATOM 78 CZ ARG A 10 43.753 29.492 24.443 1.00 64.23 C +ATOM 79 NH1 ARG A 10 43.869 30.382 23.435 1.00 65.05 N +ATOM 80 NH2 ARG A 10 44.874 28.903 24.890 1.00 64.44 N +ATOM 81 N ARG A 11 38.853 30.309 29.592 1.00 44.77 N +ATOM 82 CA ARG A 11 38.930 29.933 31.012 1.00 44.82 C +ATOM 83 C ARG A 11 40.359 29.557 31.375 1.00 44.94 C +ATOM 84 O ARG A 11 40.756 29.675 32.533 1.00 45.44 O +ATOM 85 CB ARG A 11 37.973 28.773 31.377 1.00 44.74 C +ATOM 86 N ASP A 12 41.145 29.105 30.398 1.00 44.81 N +ATOM 87 CA ASP A 12 42.534 28.681 30.687 1.00 44.80 C +ATOM 88 C ASP A 12 43.545 29.810 30.651 1.00 43.71 C +ATOM 89 O ASP A 12 44.680 29.631 31.086 1.00 44.43 O +ATOM 90 CB ASP A 12 43.006 27.524 29.787 1.00 45.06 C +ATOM 91 CG ASP A 12 42.954 27.859 28.330 1.00 48.69 C +ATOM 92 OD1 ASP A 12 41.896 27.615 27.706 1.00 53.63 O +ATOM 93 OD2 ASP A 12 43.973 28.366 27.799 1.00 52.27 O +ATOM 94 N LEU A 13 43.148 30.979 30.160 1.00 42.48 N +ATOM 95 CA LEU A 13 43.973 32.173 30.322 1.00 41.27 C +ATOM 96 C LEU A 13 43.530 33.015 31.527 1.00 40.39 C +ATOM 97 O LEU A 13 44.039 34.086 31.708 1.00 40.33 O +ATOM 98 CB LEU A 13 43.939 33.023 29.045 1.00 40.97 C +ATOM 99 CG LEU A 13 44.396 32.346 27.754 1.00 40.24 C +ATOM 100 CD1 LEU A 13 44.156 33.272 26.602 1.00 38.88 C +ATOM 101 CD2 LEU A 13 45.867 31.897 27.862 1.00 38.13 C +ATOM 102 N ALA A 14 42.595 32.532 32.340 1.00 39.87 N +ATOM 103 CA ALA A 14 42.035 33.331 33.417 1.00 39.67 C +ATOM 104 C ALA A 14 43.119 33.819 34.372 1.00 39.82 C +ATOM 105 O ALA A 14 43.020 34.916 34.906 1.00 39.71 O +ATOM 106 CB ALA A 14 40.896 32.571 34.181 1.00 39.52 C +ATOM 107 N GLU A 15 44.166 33.038 34.600 1.00 40.40 N +ATOM 108 CA GLU A 15 45.224 33.502 35.516 1.00 40.79 C +ATOM 109 C GLU A 15 45.998 34.732 34.998 1.00 39.62 C +ATOM 110 O GLU A 15 46.354 35.609 35.780 1.00 40.22 O +ATOM 111 CB GLU A 15 46.193 32.372 35.869 1.00 40.68 C +ATOM 112 CG GLU A 15 45.647 31.410 36.943 1.00 42.92 C +ATOM 113 CD GLU A 15 46.726 30.437 37.424 1.00 43.19 C +ATOM 114 OE1 GLU A 15 47.640 30.198 36.577 1.00 45.69 O +ATOM 115 OE2 GLU A 15 46.675 29.952 38.617 1.00 43.90 O +ATOM 116 N GLY A 16 46.288 34.781 33.700 1.00 38.35 N +ATOM 117 CA GLY A 16 46.920 35.960 33.104 1.00 37.28 C +ATOM 118 C GLY A 16 45.980 37.166 33.053 1.00 36.71 C +ATOM 119 O GLY A 16 46.375 38.286 33.337 1.00 36.14 O +ATOM 120 N PHE A 17 44.726 36.947 32.681 1.00 35.99 N +ATOM 121 CA PHE A 17 43.727 38.024 32.687 1.00 35.68 C +ATOM 122 C PHE A 17 43.512 38.645 34.081 1.00 35.60 C +ATOM 123 O PHE A 17 43.484 39.878 34.213 1.00 35.58 O +ATOM 124 CB PHE A 17 42.396 37.533 32.107 1.00 35.52 C +ATOM 125 CG PHE A 17 42.323 37.593 30.585 1.00 36.24 C +ATOM 126 CD1 PHE A 17 42.173 38.811 29.923 1.00 34.53 C +ATOM 127 CD2 PHE A 17 42.435 36.435 29.815 1.00 37.07 C +ATOM 128 CE1 PHE A 17 42.111 38.862 28.539 1.00 34.17 C +ATOM 129 CE2 PHE A 17 42.355 36.490 28.435 1.00 35.12 C +ATOM 130 CZ PHE A 17 42.179 37.701 27.807 1.00 36.21 C +ATOM 131 N LEU A 18 43.393 37.798 35.108 1.00 35.54 N +ATOM 132 CA LEU A 18 43.134 38.259 36.480 1.00 35.54 C +ATOM 133 C LEU A 18 44.297 39.035 37.070 1.00 36.33 C +ATOM 134 O LEU A 18 44.111 39.731 38.056 1.00 37.02 O +ATOM 135 CB LEU A 18 42.796 37.097 37.431 1.00 34.92 C +ATOM 136 CG LEU A 18 41.402 36.494 37.354 1.00 32.83 C +ATOM 137 CD1 LEU A 18 41.522 35.090 37.812 1.00 29.72 C +ATOM 138 CD2 LEU A 18 40.382 37.244 38.184 1.00 28.70 C +ATOM 139 N GLN A 19 45.488 38.892 36.493 1.00 36.95 N +ATOM 140 CA GLN A 19 46.676 39.617 36.944 1.00 37.76 C +ATOM 141 C GLN A 19 46.912 40.930 36.219 1.00 37.66 C +ATOM 142 O GLN A 19 47.740 41.709 36.631 1.00 38.78 O +ATOM 143 CB GLN A 19 47.891 38.701 36.907 1.00 37.74 C +ATOM 144 CG GLN A 19 47.716 37.629 37.984 1.00 41.12 C +ATOM 145 CD GLN A 19 48.895 36.739 38.173 1.00 44.37 C +ATOM 146 OE1 GLN A 19 49.922 37.164 38.709 1.00 45.39 O +ATOM 147 NE2 GLN A 19 48.755 35.470 37.760 1.00 46.59 N +ATOM 148 N LEU A 20 46.122 41.212 35.198 1.00 37.91 N +ATOM 149 CA LEU A 20 46.179 42.491 34.518 1.00 37.72 C +ATOM 150 C LEU A 20 45.711 43.558 35.516 1.00 38.61 C +ATOM 151 O LEU A 20 44.602 43.463 36.050 1.00 39.19 O +ATOM 152 CB LEU A 20 45.299 42.455 33.263 1.00 36.93 C +ATOM 153 CG LEU A 20 45.763 41.567 32.089 1.00 34.39 C +ATOM 154 CD1 LEU A 20 44.705 41.570 30.990 1.00 30.59 C +ATOM 155 CD2 LEU A 20 47.151 41.985 31.543 1.00 30.05 C +ATOM 156 N ARG A 21 46.578 44.535 35.795 1.00 39.24 N +ATOM 157 CA ARG A 21 46.268 45.619 36.728 1.00 39.67 C +ATOM 158 C ARG A 21 45.417 46.745 36.094 1.00 39.80 C +ATOM 159 O ARG A 21 44.825 47.537 36.805 1.00 40.32 O +ATOM 160 CB ARG A 21 47.554 46.128 37.377 1.00 39.78 C +ATOM 161 CG ARG A 21 48.076 45.157 38.496 1.00 41.20 C +ATOM 162 CD ARG A 21 47.000 44.833 39.614 1.00 41.13 C +ATOM 163 N ASN A 22 45.305 46.749 34.767 1.00 39.70 N +ATOM 164 CA ASN A 22 44.475 47.688 34.015 1.00 39.85 C +ATOM 165 C ASN A 22 44.223 47.183 32.567 1.00 40.02 C +ATOM 166 O ASN A 22 44.604 46.068 32.212 1.00 40.64 O +ATOM 167 CB ASN A 22 45.141 49.070 34.001 1.00 39.95 C +ATOM 168 CG ASN A 22 46.553 49.030 33.481 1.00 39.27 C +ATOM 169 OD1 ASN A 22 46.791 48.725 32.328 1.00 42.34 O +ATOM 170 ND2 ASN A 22 47.503 49.313 34.341 1.00 40.30 N +ATOM 171 N ASN A 23 43.572 47.986 31.729 1.00 39.58 N +ATOM 172 CA ASN A 23 43.419 47.637 30.327 1.00 39.17 C +ATOM 173 C ASN A 23 44.294 48.492 29.387 1.00 39.85 C +ATOM 174 O ASN A 23 43.866 48.834 28.283 1.00 40.01 O +ATOM 175 CB ASN A 23 41.951 47.703 29.916 1.00 38.87 C +ATOM 176 CG ASN A 23 41.453 49.104 29.756 1.00 37.49 C +ATOM 177 OD1 ASN A 23 41.777 49.972 30.536 1.00 38.16 O +ATOM 178 ND2 ASN A 23 40.649 49.333 28.740 1.00 37.76 N +ATOM 179 N ASP A 24 45.520 48.818 29.803 1.00 39.93 N +ATOM 180 CA ASP A 24 46.393 49.645 28.976 1.00 40.53 C +ATOM 181 C ASP A 24 47.018 48.841 27.836 1.00 39.93 C +ATOM 182 O ASP A 24 47.300 49.383 26.771 1.00 40.24 O +ATOM 183 CB ASP A 24 47.487 50.324 29.820 1.00 41.18 C +ATOM 184 CG ASP A 24 46.938 51.383 30.805 1.00 44.32 C +ATOM 185 OD1 ASP A 24 45.739 51.783 30.707 1.00 48.91 O +ATOM 186 OD2 ASP A 24 47.718 51.826 31.695 1.00 47.33 O +ATOM 187 N ARG A 25 47.233 47.548 28.069 1.00 39.84 N +ATOM 188 CA ARG A 25 47.872 46.652 27.097 1.00 39.91 C +ATOM 189 C ARG A 25 46.859 45.699 26.428 1.00 38.61 C +ATOM 190 O ARG A 25 46.728 45.654 25.217 1.00 39.02 O +ATOM 191 CB ARG A 25 48.951 45.884 27.849 1.00 40.42 C +ATOM 192 CG ARG A 25 50.035 45.344 26.994 1.00 43.27 C +ATOM 193 CD ARG A 25 50.839 44.316 27.761 1.00 45.57 C +ATOM 194 NE ARG A 25 51.801 43.627 26.903 1.00 47.56 N +ATOM 195 CZ ARG A 25 52.707 42.761 27.351 1.00 47.99 C +ATOM 196 NH1 ARG A 25 52.761 42.436 28.641 1.00 48.76 N +ATOM 197 NH2 ARG A 25 53.538 42.193 26.496 1.00 48.19 N +ATOM 198 N ILE A 26 46.123 44.960 27.248 1.00 37.68 N +ATOM 199 CA ILE A 26 44.974 44.203 26.802 1.00 36.47 C +ATOM 200 C ILE A 26 43.864 45.181 27.012 1.00 35.81 C +ATOM 201 O ILE A 26 43.377 45.317 28.088 1.00 35.47 O +ATOM 202 CB ILE A 26 44.778 42.874 27.611 1.00 36.30 C +ATOM 203 CG1 ILE A 26 46.054 42.042 27.560 1.00 36.20 C +ATOM 204 CG2 ILE A 26 43.673 42.031 27.043 1.00 34.30 C +ATOM 205 CD1 ILE A 26 46.621 41.830 26.164 1.00 35.06 C +ATOM 206 N GLN A 27 43.511 45.913 25.967 1.00 36.24 N +ATOM 207 CA GLN A 27 42.591 47.050 26.091 1.00 36.15 C +ATOM 208 C GLN A 27 41.102 46.678 26.156 1.00 35.89 C +ATOM 209 O GLN A 27 40.272 47.447 26.675 1.00 35.46 O +ATOM 210 CB GLN A 27 42.875 48.021 24.965 1.00 35.91 C +ATOM 211 CG GLN A 27 44.302 48.461 24.922 1.00 36.95 C +ATOM 212 CD GLN A 27 44.528 49.481 23.847 1.00 39.79 C +ATOM 213 OE1 GLN A 27 45.249 49.230 22.868 1.00 41.05 O +ATOM 214 NE2 GLN A 27 43.874 50.636 23.988 1.00 39.08 N +ATOM 215 N PHE A 28 40.784 45.496 25.625 1.00 35.46 N +ATOM 216 CA PHE A 28 39.449 44.887 25.738 1.00 35.60 C +ATOM 217 C PHE A 28 39.613 43.387 25.545 1.00 35.10 C +ATOM 218 O PHE A 28 40.669 42.920 25.133 1.00 35.88 O +ATOM 219 CB PHE A 28 38.417 45.448 24.712 1.00 35.91 C +ATOM 220 CG PHE A 28 38.800 45.206 23.298 1.00 35.39 C +ATOM 221 CD1 PHE A 28 39.732 46.024 22.682 1.00 36.07 C +ATOM 222 CD2 PHE A 28 38.280 44.154 22.603 1.00 36.73 C +ATOM 223 CE1 PHE A 28 40.137 45.810 21.421 1.00 35.74 C +ATOM 224 CE2 PHE A 28 38.685 43.906 21.309 1.00 38.40 C +ATOM 225 CZ PHE A 28 39.632 44.750 20.719 1.00 36.67 C +HETATM 226 N AMSE A 29 38.562 42.645 25.844 0.50 35.18 N +HETATM 227 N BMSE A 29 38.571 42.643 25.888 0.50 35.33 N +HETATM 228 CA AMSE A 29 38.525 41.222 25.574 0.50 35.36 C +HETATM 229 CA BMSE A 29 38.510 41.199 25.678 0.50 35.60 C +HETATM 230 C AMSE A 29 37.199 40.835 24.967 0.50 35.63 C +HETATM 231 C BMSE A 29 37.228 40.851 24.937 0.50 35.76 C +HETATM 232 O AMSE A 29 36.243 41.615 24.968 0.50 35.80 O +HETATM 233 O BMSE A 29 36.340 41.694 24.786 0.50 35.89 O +HETATM 234 CB AMSE A 29 38.768 40.408 26.843 0.50 35.14 C +HETATM 235 CB BMSE A 29 38.583 40.423 27.007 0.50 35.58 C +HETATM 236 CG AMSE A 29 37.663 40.477 27.882 0.50 35.22 C +HETATM 237 CG BMSE A 29 37.572 40.855 28.079 0.50 35.68 C +HETATM 238 SE AMSE A 29 38.327 39.793 29.517 0.37 36.20 SE +HETATM 239 SE BMSE A 29 37.433 39.664 29.577 0.38 36.64 SE +HETATM 240 CE AMSE A 29 36.878 40.295 30.744 0.50 32.89 C +HETATM 241 CE BMSE A 29 39.294 39.500 29.910 0.50 34.28 C +ATOM 242 N GLU A 30 37.153 39.610 24.464 1.00 35.67 N +ATOM 243 CA GLU A 30 35.999 39.104 23.756 1.00 35.76 C +ATOM 244 C GLU A 30 35.527 37.857 24.418 1.00 34.85 C +ATOM 245 O GLU A 30 36.328 37.094 24.876 1.00 34.20 O +ATOM 246 CB GLU A 30 36.388 38.759 22.329 1.00 36.42 C +ATOM 247 CG GLU A 30 35.198 38.463 21.431 1.00 37.97 C +ATOM 248 CD GLU A 30 35.616 38.027 20.069 1.00 40.81 C +ATOM 249 OE1 GLU A 30 35.875 38.902 19.230 1.00 45.65 O +ATOM 250 OE2 GLU A 30 35.683 36.801 19.845 1.00 44.15 O +ATOM 251 N ILE A 31 34.216 37.662 24.431 1.00 35.26 N +ATOM 252 CA ILE A 31 33.547 36.467 24.992 1.00 36.35 C +ATOM 253 C ILE A 31 32.370 36.090 24.077 1.00 36.53 C +ATOM 254 O ILE A 31 31.744 36.969 23.496 1.00 35.47 O +ATOM 255 CB ILE A 31 32.997 36.684 26.460 1.00 36.47 C +ATOM 256 CG1 ILE A 31 32.638 35.355 27.145 1.00 37.07 C +ATOM 257 CG2 ILE A 31 31.743 37.589 26.466 1.00 36.11 C +ATOM 258 CD1 ILE A 31 33.784 34.477 27.578 1.00 36.20 C +ATOM 259 N ALA A 32 32.115 34.780 23.945 1.00 36.94 N +ATOM 260 CA ALA A 32 30.937 34.273 23.252 1.00 36.98 C +ATOM 261 C ALA A 32 29.840 34.019 24.287 1.00 37.20 C +ATOM 262 O ALA A 32 30.120 33.498 25.359 1.00 35.88 O +ATOM 263 CB ALA A 32 31.284 32.969 22.508 1.00 36.32 C +ATOM 264 N PRO A 33 28.578 34.375 23.962 1.00 38.63 N +ATOM 265 CA PRO A 33 27.450 34.094 24.861 1.00 39.22 C +ATOM 266 C PRO A 33 27.244 32.602 25.106 1.00 40.36 C +ATOM 267 O PRO A 33 26.703 32.182 26.134 1.00 41.83 O +ATOM 268 CB PRO A 33 26.234 34.653 24.092 1.00 39.71 C +ATOM 269 CG PRO A 33 26.790 35.593 23.073 1.00 38.79 C +ATOM 270 CD PRO A 33 28.142 35.070 22.730 1.00 38.53 C +ATOM 271 N GLU A 34 27.615 31.797 24.127 1.00 40.99 N +ATOM 272 CA GLU A 34 27.450 30.374 24.223 1.00 40.72 C +ATOM 273 C GLU A 34 28.350 29.836 25.337 1.00 41.22 C +ATOM 274 O GLU A 34 27.993 28.861 25.990 1.00 42.54 O +ATOM 275 CB GLU A 34 27.774 29.719 22.885 1.00 40.26 C +ATOM 276 CG GLU A 34 26.733 29.954 21.774 1.00 40.36 C +ATOM 277 CD GLU A 34 26.824 31.306 21.105 1.00 39.20 C +ATOM 278 OE1 GLU A 34 27.836 31.995 21.320 1.00 36.94 O +ATOM 279 OE2 GLU A 34 25.873 31.674 20.364 1.00 40.79 O +ATOM 280 N ASN A 35 29.507 30.461 25.549 1.00 41.61 N +ATOM 281 CA ASN A 35 30.430 30.060 26.616 1.00 41.98 C +ATOM 282 C ASN A 35 30.103 30.698 27.955 1.00 41.06 C +ATOM 283 O ASN A 35 30.253 30.075 28.970 1.00 41.30 O +ATOM 284 CB ASN A 35 31.873 30.380 26.230 1.00 42.35 C +ATOM 285 CG ASN A 35 32.371 29.483 25.114 1.00 45.87 C +ATOM 286 OD1 ASN A 35 32.209 28.255 25.175 1.00 49.47 O +ATOM 287 ND2 ASN A 35 32.955 30.088 24.066 1.00 48.29 N +ATOM 288 N TRP A 36 29.670 31.948 27.941 1.00 40.65 N +ATOM 289 CA TRP A 36 29.278 32.657 29.147 1.00 40.01 C +ATOM 290 C TRP A 36 28.084 31.995 29.800 1.00 40.11 C +ATOM 291 O TRP A 36 28.086 31.772 30.987 1.00 39.64 O +ATOM 292 CB TRP A 36 28.958 34.101 28.770 1.00 39.73 C +ATOM 293 CG TRP A 36 28.588 35.013 29.859 1.00 38.71 C +ATOM 294 CD1 TRP A 36 29.426 35.756 30.586 1.00 39.24 C +ATOM 295 CD2 TRP A 36 27.265 35.375 30.269 1.00 39.71 C +ATOM 296 NE1 TRP A 36 28.737 36.515 31.482 1.00 39.36 N +ATOM 297 CE2 TRP A 36 27.398 36.325 31.292 1.00 39.75 C +ATOM 298 CE3 TRP A 36 25.977 34.989 29.867 1.00 39.61 C +ATOM 299 CZ2 TRP A 36 26.293 36.893 31.949 1.00 39.99 C +ATOM 300 CZ3 TRP A 36 24.876 35.560 30.506 1.00 39.84 C +ATOM 301 CH2 TRP A 36 25.046 36.510 31.538 1.00 39.55 C +ATOM 302 N ILE A 37 27.069 31.680 28.998 1.00 40.61 N +ATOM 303 CA ILE A 37 25.835 31.036 29.475 1.00 40.84 C +ATOM 304 C ILE A 37 26.152 29.740 30.226 1.00 41.34 C +ATOM 305 O ILE A 37 25.509 29.459 31.246 1.00 41.03 O +ATOM 306 CB ILE A 37 24.859 30.770 28.310 1.00 40.50 C +ATOM 307 CG1 ILE A 37 24.252 32.084 27.818 1.00 40.71 C +ATOM 308 CG2 ILE A 37 23.745 29.901 28.736 1.00 40.70 C +ATOM 309 CD1 ILE A 37 23.661 31.993 26.381 1.00 41.09 C +ATOM 310 N LYS A 38 27.153 28.980 29.747 1.00 41.60 N +ATOM 311 CA LYS A 38 27.463 27.669 30.320 1.00 41.69 C +ATOM 312 C LYS A 38 28.668 27.665 31.297 1.00 40.82 C +ATOM 313 O LYS A 38 29.111 26.617 31.730 1.00 40.23 O +ATOM 314 CB LYS A 38 27.511 26.554 29.223 1.00 41.84 C +ATOM 315 CG LYS A 38 28.721 26.525 28.292 1.00 43.25 C +ATOM 316 CD LYS A 38 28.446 25.663 27.030 1.00 42.73 C +HETATM 317 N MSE A 39 29.129 28.844 31.699 1.00 40.21 N +HETATM 318 CA MSE A 39 30.106 28.983 32.790 1.00 39.68 C +HETATM 319 C MSE A 39 29.535 28.564 34.126 1.00 40.02 C +HETATM 320 O MSE A 39 28.397 28.888 34.459 1.00 40.80 O +HETATM 321 CB MSE A 39 30.578 30.429 32.948 1.00 39.35 C +HETATM 322 CG MSE A 39 31.709 30.847 32.064 1.00 38.37 C +HETATM 323 SE MSE A 39 31.999 32.735 32.153 0.75 39.86 SE +HETATM 324 CE MSE A 39 33.335 32.886 30.763 1.00 37.71 C +ATOM 325 N GLY A 40 30.351 27.846 34.899 1.00 39.95 N +ATOM 326 CA GLY A 40 30.080 27.570 36.296 1.00 39.36 C +ATOM 327 C GLY A 40 30.225 28.801 37.166 1.00 38.53 C +ATOM 328 O GLY A 40 30.703 29.820 36.723 1.00 39.45 O +ATOM 329 N GLY A 41 29.802 28.690 38.410 1.00 37.66 N +ATOM 330 CA GLY A 41 29.873 29.774 39.361 1.00 37.19 C +ATOM 331 C GLY A 41 31.261 30.352 39.485 1.00 36.93 C +ATOM 332 O GLY A 41 31.415 31.571 39.413 1.00 37.44 O +ATOM 333 N PHE A 42 32.279 29.505 39.640 1.00 36.01 N +ATOM 334 CA PHE A 42 33.630 30.032 39.828 1.00 35.74 C +ATOM 335 C PHE A 42 34.244 30.559 38.543 1.00 35.59 C +ATOM 336 O PHE A 42 34.917 31.569 38.573 1.00 36.86 O +ATOM 337 CB PHE A 42 34.583 29.035 40.521 1.00 35.38 C +ATOM 338 CG PHE A 42 35.900 29.657 40.927 1.00 34.56 C +ATOM 339 CD1 PHE A 42 35.995 30.420 42.070 1.00 33.71 C +ATOM 340 CD2 PHE A 42 37.014 29.533 40.132 1.00 34.82 C +ATOM 341 CE1 PHE A 42 37.171 31.020 42.430 1.00 33.84 C +ATOM 342 CE2 PHE A 42 38.186 30.124 40.501 1.00 34.07 C +ATOM 343 CZ PHE A 42 38.258 30.872 41.650 1.00 33.58 C +ATOM 344 N ALA A 43 34.014 29.898 37.419 1.00 35.62 N +ATOM 345 CA ALA A 43 34.456 30.424 36.133 1.00 35.31 C +ATOM 346 C ALA A 43 33.857 31.783 35.841 1.00 35.83 C +ATOM 347 O ALA A 43 34.540 32.655 35.267 1.00 36.72 O +ATOM 348 CB ALA A 43 34.095 29.476 35.016 1.00 35.10 C +ATOM 349 N ARG A 44 32.573 31.958 36.165 1.00 35.83 N +ATOM 350 CA ARG A 44 31.899 33.249 35.959 1.00 35.87 C +ATOM 351 C ARG A 44 32.471 34.300 36.908 1.00 35.60 C +ATOM 352 O ARG A 44 32.725 35.432 36.506 1.00 36.33 O +ATOM 353 CB ARG A 44 30.382 33.148 36.141 1.00 36.08 C +ATOM 354 CG ARG A 44 29.619 34.508 36.050 1.00 36.38 C +ATOM 355 CD ARG A 44 29.517 35.027 34.638 1.00 37.14 C +ATOM 356 NE ARG A 44 28.751 34.086 33.838 1.00 38.47 N +ATOM 357 CZ ARG A 44 27.429 33.965 33.875 1.00 39.55 C +ATOM 358 NH1 ARG A 44 26.702 34.750 34.647 1.00 40.38 N +ATOM 359 NH2 ARG A 44 26.816 33.068 33.123 1.00 38.97 N +ATOM 360 N TYR A 45 32.695 33.928 38.159 1.00 34.80 N +ATOM 361 CA TYR A 45 33.345 34.835 39.091 1.00 34.16 C +ATOM 362 C TYR A 45 34.654 35.364 38.537 1.00 33.93 C +ATOM 363 O TYR A 45 34.910 36.554 38.557 1.00 33.71 O +ATOM 364 CB TYR A 45 33.608 34.125 40.403 1.00 34.24 C +ATOM 365 CG TYR A 45 34.139 35.038 41.452 1.00 33.92 C +ATOM 366 CD1 TYR A 45 33.351 36.054 41.930 1.00 34.40 C +ATOM 367 CD2 TYR A 45 35.420 34.906 41.950 1.00 32.79 C +ATOM 368 CE1 TYR A 45 33.799 36.897 42.857 1.00 33.90 C +ATOM 369 CE2 TYR A 45 35.877 35.760 42.886 1.00 33.55 C +ATOM 370 CZ TYR A 45 35.043 36.748 43.342 1.00 33.73 C +ATOM 371 OH TYR A 45 35.417 37.632 44.291 1.00 34.53 O +ATOM 372 N GLN A 46 35.491 34.477 38.027 1.00 34.14 N +ATOM 373 CA GLN A 46 36.784 34.908 37.487 1.00 33.89 C +ATOM 374 C GLN A 46 36.605 35.870 36.355 1.00 33.64 C +ATOM 375 O GLN A 46 37.300 36.883 36.281 1.00 34.40 O +ATOM 376 CB GLN A 46 37.564 33.715 36.952 1.00 34.00 C +ATOM 377 CG GLN A 46 37.948 32.687 37.966 1.00 33.77 C +ATOM 378 CD GLN A 46 38.767 31.570 37.331 1.00 33.52 C +ATOM 379 OE1 GLN A 46 38.374 31.007 36.327 1.00 34.91 O +ATOM 380 NE2 GLN A 46 39.907 31.266 37.909 1.00 31.45 N +ATOM 381 N PHE A 47 35.706 35.513 35.436 1.00 33.52 N +ATOM 382 CA PHE A 47 35.332 36.371 34.312 1.00 33.00 C +ATOM 383 C PHE A 47 34.854 37.732 34.761 1.00 33.29 C +ATOM 384 O PHE A 47 35.374 38.741 34.302 1.00 33.61 O +ATOM 385 CB PHE A 47 34.244 35.761 33.434 1.00 32.74 C +ATOM 386 CG PHE A 47 33.932 36.595 32.225 1.00 32.50 C +ATOM 387 CD1 PHE A 47 34.818 36.660 31.174 1.00 30.81 C +ATOM 388 CD2 PHE A 47 32.770 37.337 32.152 1.00 33.40 C +ATOM 389 CE1 PHE A 47 34.570 37.441 30.093 1.00 32.68 C +ATOM 390 CE2 PHE A 47 32.512 38.121 31.075 1.00 32.11 C +ATOM 391 CZ PHE A 47 33.412 38.182 30.034 1.00 33.49 C +ATOM 392 N ASP A 48 33.835 37.762 35.619 1.00 33.84 N +ATOM 393 CA ASP A 48 33.292 39.017 36.170 1.00 33.75 C +ATOM 394 C ASP A 48 34.349 39.877 36.857 1.00 33.91 C +ATOM 395 O ASP A 48 34.340 41.088 36.736 1.00 34.59 O +ATOM 396 CB ASP A 48 32.130 38.721 37.123 1.00 32.98 C +ATOM 397 CG ASP A 48 30.857 38.357 36.387 1.00 32.40 C +ATOM 398 OD1 ASP A 48 30.780 38.619 35.189 1.00 32.67 O +ATOM 399 OD2 ASP A 48 29.911 37.824 37.000 1.00 32.74 O +ATOM 400 N LYS A 49 35.258 39.228 37.558 1.00 34.58 N +ATOM 401 CA LYS A 49 36.356 39.881 38.221 1.00 35.13 C +ATOM 402 C LYS A 49 37.340 40.482 37.228 1.00 35.26 C +ATOM 403 O LYS A 49 37.868 41.551 37.469 1.00 36.06 O +ATOM 404 CB LYS A 49 37.043 38.870 39.152 1.00 36.05 C +ATOM 405 CG LYS A 49 38.081 39.456 40.126 1.00 38.05 C +ATOM 406 CD LYS A 49 38.145 38.716 41.466 1.00 40.27 C +ATOM 407 CE LYS A 49 38.754 39.611 42.543 1.00 42.06 C +ATOM 408 NZ LYS A 49 39.994 40.356 42.013 1.00 44.07 N +ATOM 409 N VAL A 50 37.613 39.805 36.114 1.00 35.67 N +ATOM 410 CA VAL A 50 38.464 40.367 35.060 1.00 35.31 C +ATOM 411 C VAL A 50 37.765 41.547 34.342 1.00 36.07 C +ATOM 412 O VAL A 50 38.409 42.520 34.010 1.00 36.79 O +ATOM 413 CB VAL A 50 38.860 39.300 34.026 1.00 34.34 C +ATOM 414 CG1 VAL A 50 39.585 39.942 32.906 1.00 32.21 C +ATOM 415 CG2 VAL A 50 39.698 38.215 34.667 1.00 34.28 C +ATOM 416 N ALA A 51 36.447 41.432 34.118 1.00 36.87 N +ATOM 417 CA ALA A 51 35.573 42.472 33.503 1.00 36.71 C +ATOM 418 C ALA A 51 35.462 43.780 34.313 1.00 37.92 C +ATOM 419 O ALA A 51 34.926 44.768 33.819 1.00 37.65 O +ATOM 420 CB ALA A 51 34.174 41.913 33.268 1.00 36.10 C +ATOM 421 N GLU A 52 35.930 43.762 35.562 1.00 38.79 N +ATOM 422 CA GLU A 52 36.066 44.964 36.360 1.00 39.63 C +ATOM 423 C GLU A 52 37.202 45.832 35.831 1.00 39.20 C +ATOM 424 O GLU A 52 37.169 47.038 36.017 1.00 40.28 O +ATOM 425 CB GLU A 52 36.307 44.627 37.832 1.00 39.31 C +ATOM 426 CG GLU A 52 35.073 44.165 38.573 1.00 41.11 C +ATOM 427 CD GLU A 52 35.383 43.641 39.992 1.00 43.18 C +ATOM 428 OE1 GLU A 52 36.542 43.830 40.476 1.00 49.01 O +ATOM 429 OE2 GLU A 52 34.467 43.015 40.613 1.00 49.39 O +ATOM 430 N LYS A 53 38.184 45.249 35.151 1.00 38.38 N +ATOM 431 CA LYS A 53 39.301 46.029 34.609 1.00 37.54 C +ATOM 432 C LYS A 53 39.400 46.038 33.097 1.00 36.51 C +ATOM 433 O LYS A 53 39.943 46.982 32.527 1.00 36.93 O +ATOM 434 CB LYS A 53 40.634 45.497 35.153 1.00 37.98 C +ATOM 435 CG LYS A 53 40.720 45.462 36.661 1.00 39.93 C +ATOM 436 CD LYS A 53 42.051 46.005 37.182 1.00 43.29 C +ATOM 437 CE LYS A 53 42.303 45.617 38.666 1.00 45.25 C +ATOM 438 NZ LYS A 53 41.029 45.448 39.424 1.00 46.53 N +ATOM 439 N ILE A 54 38.963 44.957 32.454 1.00 35.42 N +ATOM 440 CA ILE A 54 39.147 44.770 31.022 1.00 33.80 C +ATOM 441 C ILE A 54 37.746 44.714 30.406 1.00 34.35 C +ATOM 442 O ILE A 54 36.995 43.782 30.655 1.00 33.53 O +ATOM 443 CB ILE A 54 39.927 43.491 30.718 1.00 32.97 C +ATOM 444 CG1 ILE A 54 41.160 43.389 31.603 1.00 30.35 C +ATOM 445 CG2 ILE A 54 40.279 43.416 29.235 1.00 30.43 C +ATOM 446 CD1 ILE A 54 42.255 44.379 31.337 1.00 27.11 C +ATOM 447 N PRO A 55 37.367 45.755 29.649 1.00 34.59 N +ATOM 448 CA PRO A 55 36.050 45.801 28.998 1.00 34.70 C +ATOM 449 C PRO A 55 35.851 44.753 27.897 1.00 34.97 C +ATOM 450 O PRO A 55 36.816 44.296 27.307 1.00 34.86 O +ATOM 451 CB PRO A 55 35.981 47.220 28.449 1.00 34.59 C +ATOM 452 CG PRO A 55 37.361 47.701 28.406 1.00 34.04 C +ATOM 453 CD PRO A 55 38.162 46.964 29.384 1.00 34.13 C +ATOM 454 N AILE A 56 34.584 44.488 27.587 0.50 35.49 N +ATOM 455 N BILE A 56 34.600 44.336 27.687 0.50 35.49 N +ATOM 456 CA AILE A 56 34.132 43.309 26.845 0.50 35.59 C +ATOM 457 CA BILE A 56 34.280 43.231 26.773 0.50 35.51 C +ATOM 458 C AILE A 56 33.438 43.710 25.533 0.50 36.17 C +ATOM 459 C BILE A 56 33.470 43.680 25.552 0.50 36.15 C +ATOM 460 O AILE A 56 32.727 44.724 25.470 0.50 36.26 O +ATOM 461 O BILE A 56 32.734 44.680 25.568 0.50 36.28 O +ATOM 462 CB AILE A 56 33.106 42.507 27.724 0.50 35.45 C +ATOM 463 CB BILE A 56 33.542 42.004 27.474 0.50 35.40 C +ATOM 464 CG1AILE A 56 33.796 41.765 28.859 0.50 34.75 C +ATOM 465 CG1BILE A 56 32.136 42.366 27.983 0.50 35.64 C +ATOM 466 CG2AILE A 56 32.320 41.512 26.927 0.50 35.21 C +ATOM 467 CG2BILE A 56 34.372 41.463 28.610 0.50 34.93 C +ATOM 468 CD1AILE A 56 32.861 41.462 29.983 0.50 33.14 C +ATOM 469 CD1BILE A 56 31.122 41.190 28.028 0.50 34.91 C +ATOM 470 N LEU A 57 33.658 42.904 24.494 1.00 36.79 N +ATOM 471 CA LEU A 57 32.860 42.936 23.268 1.00 36.69 C +ATOM 472 C LEU A 57 32.281 41.513 23.175 1.00 36.29 C +ATOM 473 O LEU A 57 32.982 40.553 23.484 1.00 36.46 O +ATOM 474 CB LEU A 57 33.769 43.168 22.071 1.00 36.36 C +ATOM 475 CG LEU A 57 34.277 44.602 21.862 1.00 37.03 C +ATOM 476 CD1 LEU A 57 35.271 44.671 20.672 1.00 32.45 C +ATOM 477 CD2 LEU A 57 33.072 45.581 21.715 1.00 33.40 C +ATOM 478 N ILE A 58 31.028 41.379 22.736 1.00 35.77 N +ATOM 479 CA ILE A 58 30.356 40.082 22.631 1.00 34.90 C +ATOM 480 C ILE A 58 30.339 39.668 21.173 1.00 35.37 C +ATOM 481 O ILE A 58 29.804 40.365 20.325 1.00 34.80 O +ATOM 482 CB ILE A 58 28.891 40.116 23.201 1.00 34.84 C +ATOM 483 CG1 ILE A 58 28.865 40.662 24.634 1.00 33.36 C +ATOM 484 CG2 ILE A 58 28.281 38.749 23.166 1.00 33.55 C +ATOM 485 CD1 ILE A 58 27.505 41.118 25.076 1.00 34.61 C +ATOM 486 N HIS A 59 30.928 38.507 20.892 1.00 36.06 N +ATOM 487 CA HIS A 59 30.958 37.950 19.556 1.00 36.18 C +ATOM 488 C HIS A 59 30.482 36.583 19.668 1.00 36.62 C +ATOM 489 O HIS A 59 31.179 35.756 20.224 1.00 38.08 O +ATOM 490 CB HIS A 59 32.391 37.904 19.013 1.00 36.80 C +ATOM 491 CG HIS A 59 32.504 37.226 17.683 1.00 36.28 C +ATOM 492 ND1 HIS A 59 31.805 37.654 16.574 1.00 35.50 N +ATOM 493 CD2 HIS A 59 33.243 36.169 17.278 1.00 33.56 C +ATOM 494 CE1 HIS A 59 32.097 36.883 15.549 1.00 32.66 C +ATOM 495 NE2 HIS A 59 32.979 35.983 15.949 1.00 34.15 N +ATOM 496 N GLY A 60 29.308 36.324 19.112 1.00 38.27 N +ATOM 497 CA GLY A 60 28.618 35.061 19.305 1.00 38.61 C +ATOM 498 C GLY A 60 28.803 34.079 18.184 1.00 39.12 C +ATOM 499 O GLY A 60 29.029 34.452 17.062 1.00 40.01 O +ATOM 500 N LEU A 61 28.659 32.809 18.496 1.00 40.10 N +ATOM 501 CA LEU A 61 28.983 31.739 17.577 1.00 40.72 C +ATOM 502 C LEU A 61 27.778 31.196 16.816 1.00 40.48 C +ATOM 503 O LEU A 61 27.924 30.759 15.683 1.00 40.16 O +ATOM 504 CB LEU A 61 29.652 30.582 18.363 1.00 41.46 C +ATOM 505 CG LEU A 61 30.806 30.922 19.328 1.00 41.21 C +ATOM 506 CD1 LEU A 61 31.250 29.661 20.114 1.00 39.18 C +ATOM 507 CD2 LEU A 61 31.974 31.609 18.617 1.00 41.59 C +ATOM 508 N SER A 62 26.603 31.213 17.432 1.00 40.18 N +ATOM 509 CA SER A 62 25.540 30.325 16.982 1.00 40.49 C +ATOM 510 C SER A 62 24.184 30.943 16.560 1.00 40.77 C +ATOM 511 O SER A 62 23.271 30.221 16.185 1.00 39.80 O +ATOM 512 CB SER A 62 25.302 29.262 18.054 1.00 40.04 C +ATOM 513 OG SER A 62 24.707 29.834 19.186 1.00 39.89 O +ATOM 514 N LEU A 63 24.048 32.256 16.564 1.00 41.81 N +ATOM 515 CA LEU A 63 22.729 32.860 16.244 1.00 42.74 C +ATOM 516 C LEU A 63 22.196 32.565 14.817 1.00 43.30 C +ATOM 517 O LEU A 63 21.001 32.765 14.548 1.00 43.55 O +ATOM 518 CB LEU A 63 22.780 34.370 16.488 1.00 42.84 C +ATOM 519 CG LEU A 63 21.503 35.168 16.660 1.00 42.95 C +ATOM 520 CD1 LEU A 63 20.535 34.539 17.729 1.00 42.83 C +ATOM 521 CD2 LEU A 63 21.940 36.553 17.025 1.00 39.54 C +ATOM 522 N SER A 64 23.082 32.105 13.926 1.00 43.47 N +ATOM 523 CA SER A 64 22.716 31.632 12.596 1.00 43.60 C +ATOM 524 C SER A 64 21.877 32.665 11.858 1.00 43.74 C +ATOM 525 O SER A 64 20.706 32.400 11.615 1.00 44.19 O +ATOM 526 CB SER A 64 21.936 30.301 12.672 1.00 43.61 C +ATOM 527 N LEU A 65 22.459 33.820 11.491 1.00 43.37 N +ATOM 528 CA LEU A 65 21.673 34.956 10.928 1.00 42.89 C +ATOM 529 C LEU A 65 21.084 34.739 9.515 1.00 42.93 C +ATOM 530 O LEU A 65 20.117 35.392 9.137 1.00 41.98 O +ATOM 531 CB LEU A 65 22.508 36.237 10.933 1.00 42.53 C +ATOM 532 CG LEU A 65 22.909 36.738 12.312 1.00 41.49 C +ATOM 533 CD1 LEU A 65 24.103 37.682 12.184 1.00 37.06 C +ATOM 534 CD2 LEU A 65 21.669 37.356 12.977 1.00 37.75 C +ATOM 535 N GLY A 66 21.683 33.826 8.751 1.00 43.39 N +ATOM 536 CA GLY A 66 21.232 33.489 7.404 1.00 43.57 C +ATOM 537 C GLY A 66 20.601 32.123 7.312 1.00 43.77 C +ATOM 538 O GLY A 66 20.356 31.647 6.233 1.00 44.56 O +ATOM 539 N GLY A 67 20.322 31.514 8.461 1.00 44.48 N +ATOM 540 CA GLY A 67 19.762 30.178 8.562 1.00 44.37 C +ATOM 541 C GLY A 67 18.273 30.246 8.432 1.00 44.78 C +ATOM 542 O GLY A 67 17.702 31.325 8.378 1.00 44.24 O +ATOM 543 N GLN A 68 17.647 29.084 8.366 1.00 45.66 N +ATOM 544 CA GLN A 68 16.212 29.015 8.103 1.00 46.77 C +ATOM 545 C GLN A 68 15.432 28.779 9.377 1.00 46.94 C +ATOM 546 O GLN A 68 14.238 29.067 9.444 1.00 47.02 O +ATOM 547 CB GLN A 68 15.911 27.900 7.104 1.00 47.12 C +ATOM 548 CG GLN A 68 16.709 27.977 5.806 1.00 49.20 C +ATOM 549 CD GLN A 68 16.127 28.952 4.793 1.00 52.90 C +ATOM 550 OE1 GLN A 68 14.930 28.917 4.534 1.00 55.13 O +ATOM 551 NE2 GLN A 68 16.985 29.818 4.194 1.00 55.57 N +ATOM 552 N ALA A 69 16.116 28.229 10.382 1.00 47.64 N +ATOM 553 CA ALA A 69 15.517 27.929 11.674 1.00 47.80 C +ATOM 554 C ALA A 69 15.128 29.261 12.327 1.00 47.68 C +ATOM 555 O ALA A 69 15.834 30.241 12.143 1.00 47.74 O +ATOM 556 CB ALA A 69 16.532 27.171 12.550 1.00 48.01 C +ATOM 557 N PRO A 70 14.031 29.299 13.121 1.00 47.32 N +ATOM 558 CA PRO A 70 13.663 30.620 13.649 1.00 46.68 C +ATOM 559 C PRO A 70 14.723 31.080 14.659 1.00 45.76 C +ATOM 560 O PRO A 70 15.414 30.249 15.244 1.00 45.91 O +ATOM 561 CB PRO A 70 12.288 30.382 14.319 1.00 46.66 C +ATOM 562 CG PRO A 70 11.877 28.990 13.930 1.00 47.05 C +ATOM 563 CD PRO A 70 13.148 28.242 13.646 1.00 47.27 C +ATOM 564 N LEU A 71 14.868 32.391 14.832 1.00 44.75 N +ATOM 565 CA LEU A 71 15.881 32.948 15.729 1.00 43.51 C +ATOM 566 C LEU A 71 15.610 32.464 17.164 1.00 43.48 C +ATOM 567 O LEU A 71 14.463 32.383 17.606 1.00 43.80 O +ATOM 568 CB LEU A 71 15.933 34.493 15.628 1.00 42.50 C +ATOM 569 CG LEU A 71 16.558 35.020 14.345 1.00 39.60 C +ATOM 570 CD1 LEU A 71 16.171 36.447 14.060 1.00 36.97 C +ATOM 571 CD2 LEU A 71 18.054 34.842 14.410 1.00 34.49 C +ATOM 572 N ASP A 72 16.686 32.113 17.864 1.00 43.70 N +ATOM 573 CA ASP A 72 16.616 31.601 19.226 1.00 43.38 C +ATOM 574 C ASP A 72 16.353 32.764 20.177 1.00 42.69 C +ATOM 575 O ASP A 72 17.262 33.560 20.422 1.00 42.92 O +ATOM 576 CB ASP A 72 17.956 30.942 19.551 1.00 44.04 C +ATOM 577 CG ASP A 72 17.942 30.118 20.833 1.00 45.72 C +ATOM 578 OD1 ASP A 72 16.956 30.117 21.600 1.00 50.41 O +ATOM 579 OD2 ASP A 72 18.958 29.439 21.078 1.00 50.35 O +ATOM 580 N LYS A 73 15.127 32.873 20.700 1.00 41.59 N +ATOM 581 CA LYS A 73 14.797 33.951 21.651 1.00 41.22 C +ATOM 582 C LYS A 73 15.487 33.767 23.031 1.00 40.47 C +ATOM 583 O LYS A 73 15.780 34.755 23.693 1.00 40.79 O +ATOM 584 CB LYS A 73 13.267 34.170 21.760 1.00 41.74 C +ATOM 585 N GLU A 74 15.775 32.520 23.435 1.00 39.80 N +ATOM 586 CA GLU A 74 16.473 32.221 24.708 1.00 39.33 C +ATOM 587 C GLU A 74 17.929 32.745 24.628 1.00 39.20 C +ATOM 588 O GLU A 74 18.376 33.459 25.522 1.00 39.18 O +ATOM 589 CB GLU A 74 16.407 30.712 25.080 1.00 39.52 C +ATOM 590 CG GLU A 74 14.968 30.118 25.448 1.00 38.78 C +ATOM 591 N LEU A 75 18.627 32.432 23.531 1.00 38.87 N +ATOM 592 CA LEU A 75 19.958 33.002 23.215 1.00 38.67 C +ATOM 593 C LEU A 75 19.980 34.524 23.074 1.00 37.95 C +ATOM 594 O LEU A 75 20.817 35.175 23.663 1.00 38.22 O +ATOM 595 CB LEU A 75 20.493 32.403 21.930 1.00 38.54 C +ATOM 596 CG LEU A 75 21.912 32.838 21.545 1.00 40.34 C +ATOM 597 CD1 LEU A 75 22.861 32.697 22.759 1.00 41.45 C +ATOM 598 CD2 LEU A 75 22.437 32.075 20.300 1.00 38.93 C +ATOM 599 N LEU A 76 19.079 35.085 22.272 1.00 38.07 N +ATOM 600 CA LEU A 76 18.930 36.549 22.136 1.00 37.75 C +ATOM 601 C LEU A 76 18.728 37.242 23.469 1.00 38.17 C +ATOM 602 O LEU A 76 19.268 38.323 23.676 1.00 38.05 O +ATOM 603 CB LEU A 76 17.790 36.919 21.154 1.00 38.01 C +ATOM 604 CG LEU A 76 18.164 36.850 19.664 1.00 36.61 C +ATOM 605 CD1 LEU A 76 16.979 36.890 18.736 1.00 31.74 C +ATOM 606 CD2 LEU A 76 19.092 37.974 19.352 1.00 35.73 C +ATOM 607 N SER A 77 17.965 36.622 24.372 1.00 39.23 N +ATOM 608 CA SER A 77 17.767 37.164 25.711 1.00 39.92 C +ATOM 609 C SER A 77 19.036 37.178 26.562 1.00 40.66 C +ATOM 610 O SER A 77 19.243 38.106 27.339 1.00 41.27 O +ATOM 611 CB SER A 77 16.672 36.424 26.456 1.00 40.50 C +ATOM 612 OG SER A 77 15.404 36.822 25.960 1.00 40.72 O +ATOM 613 N SER A 78 19.885 36.163 26.443 1.00 40.67 N +ATOM 614 CA SER A 78 21.148 36.184 27.158 1.00 40.22 C +ATOM 615 C SER A 78 22.060 37.213 26.536 1.00 39.88 C +ATOM 616 O SER A 78 22.819 37.832 27.247 1.00 41.49 O +ATOM 617 CB SER A 78 21.822 34.830 27.143 1.00 40.00 C +ATOM 618 OG SER A 78 20.870 33.852 27.438 1.00 40.70 O +ATOM 619 N ILE A 79 22.001 37.417 25.224 1.00 38.92 N +ATOM 620 CA ILE A 79 22.838 38.451 24.612 1.00 38.02 C +ATOM 621 C ILE A 79 22.397 39.845 25.155 1.00 38.17 C +ATOM 622 O ILE A 79 23.223 40.666 25.532 1.00 38.23 O +ATOM 623 CB ILE A 79 22.851 38.357 23.047 1.00 37.08 C +ATOM 624 CG1 ILE A 79 23.474 37.033 22.619 1.00 34.78 C +ATOM 625 CG2 ILE A 79 23.591 39.567 22.428 1.00 36.21 C +ATOM 626 CD1 ILE A 79 23.117 36.611 21.224 1.00 31.97 C +ATOM 627 N LYS A 80 21.096 40.088 25.226 1.00 38.35 N +ATOM 628 CA LYS A 80 20.595 41.376 25.698 1.00 38.57 C +ATOM 629 C LYS A 80 20.965 41.567 27.169 1.00 38.59 C +ATOM 630 O LYS A 80 21.285 42.670 27.594 1.00 38.58 O +ATOM 631 CB LYS A 80 19.062 41.490 25.484 1.00 38.78 C +ATOM 632 CG LYS A 80 18.560 42.918 25.281 1.00 38.64 C +ATOM 633 CD LYS A 80 17.050 42.981 25.206 1.00 39.55 C +ATOM 634 CE LYS A 80 16.544 44.392 24.911 1.00 39.69 C +ATOM 635 NZ LYS A 80 15.080 44.373 24.461 1.00 42.19 N +ATOM 636 N ALA A 81 20.931 40.484 27.937 1.00 38.55 N +ATOM 637 CA ALA A 81 21.294 40.517 29.354 1.00 38.93 C +ATOM 638 C ALA A 81 22.767 40.861 29.561 1.00 39.23 C +ATOM 639 O ALA A 81 23.071 41.672 30.438 1.00 40.42 O +ATOM 640 CB ALA A 81 20.956 39.178 30.047 1.00 38.51 C +HETATM 641 N MSE A 82 23.657 40.241 28.773 1.00 38.66 N +HETATM 642 CA MSE A 82 25.091 40.549 28.785 1.00 38.42 C +HETATM 643 C MSE A 82 25.413 42.002 28.378 1.00 38.35 C +HETATM 644 O MSE A 82 26.254 42.662 28.987 1.00 38.36 O +HETATM 645 CB MSE A 82 25.824 39.609 27.832 1.00 38.23 C +HETATM 646 CG MSE A 82 25.717 38.135 28.157 1.00 38.34 C +HETATM 647 SE MSE A 82 26.581 37.066 26.834 0.75 39.13 SE +HETATM 648 CE MSE A 82 28.443 37.415 27.258 1.00 33.78 C +ATOM 649 N ILE A 83 24.761 42.489 27.329 1.00 38.58 N +ATOM 650 CA ILE A 83 24.928 43.868 26.867 1.00 38.19 C +ATOM 651 C ILE A 83 24.628 44.832 28.000 1.00 38.27 C +ATOM 652 O ILE A 83 25.393 45.744 28.243 1.00 37.58 O +ATOM 653 CB ILE A 83 23.998 44.202 25.649 1.00 38.68 C +ATOM 654 CG1 ILE A 83 24.450 43.447 24.390 1.00 37.43 C +ATOM 655 CG2 ILE A 83 23.983 45.690 25.395 1.00 37.90 C +ATOM 656 CD1 ILE A 83 23.438 43.454 23.233 1.00 37.55 C +ATOM 657 N LYS A 84 23.517 44.605 28.697 1.00 38.66 N +ATOM 658 CA LYS A 84 23.114 45.410 29.858 1.00 39.01 C +ATOM 659 C LYS A 84 24.095 45.190 31.004 1.00 39.20 C +ATOM 660 O LYS A 84 24.574 46.153 31.570 1.00 40.08 O +ATOM 661 CB LYS A 84 21.671 45.106 30.337 1.00 38.07 C +ATOM 662 N GLN A 85 24.393 43.940 31.345 1.00 39.19 N +ATOM 663 CA GLN A 85 25.232 43.646 32.512 1.00 39.14 C +ATOM 664 C GLN A 85 26.642 44.214 32.413 1.00 39.02 C +ATOM 665 O GLN A 85 27.175 44.696 33.390 1.00 40.04 O +ATOM 666 CB GLN A 85 25.292 42.127 32.798 1.00 38.85 C +ATOM 667 CG GLN A 85 26.345 41.753 33.868 1.00 39.79 C +ATOM 668 CD GLN A 85 26.279 40.311 34.385 1.00 39.65 C +ATOM 669 OE1 GLN A 85 25.378 39.547 34.069 1.00 40.84 O +ATOM 670 NE2 GLN A 85 27.253 39.952 35.209 1.00 41.31 N +ATOM 671 N TYR A 86 27.252 44.129 31.240 1.00 39.18 N +ATOM 672 CA TYR A 86 28.660 44.486 31.033 1.00 38.57 C +ATOM 673 C TYR A 86 28.759 45.818 30.305 1.00 39.11 C +ATOM 674 O TYR A 86 29.818 46.260 29.906 1.00 37.82 O +ATOM 675 CB TYR A 86 29.346 43.393 30.226 1.00 38.21 C +ATOM 676 CG TYR A 86 29.374 42.143 30.997 1.00 37.46 C +ATOM 677 CD1 TYR A 86 30.205 42.028 32.097 1.00 35.56 C +ATOM 678 CD2 TYR A 86 28.540 41.079 30.669 1.00 36.70 C +ATOM 679 CE1 TYR A 86 30.214 40.905 32.839 1.00 36.41 C +ATOM 680 CE2 TYR A 86 28.546 39.935 31.409 1.00 35.55 C +ATOM 681 CZ TYR A 86 29.367 39.861 32.495 1.00 36.39 C +ATOM 682 OH TYR A 86 29.399 38.722 33.226 1.00 37.15 O +ATOM 683 N ASN A 87 27.602 46.438 30.135 1.00 40.48 N +ATOM 684 CA ASN A 87 27.521 47.776 29.635 1.00 41.69 C +ATOM 685 C ASN A 87 28.233 47.879 28.304 1.00 41.16 C +ATOM 686 O ASN A 87 29.045 48.764 28.102 1.00 40.90 O +ATOM 687 CB ASN A 87 28.077 48.756 30.681 1.00 42.24 C +ATOM 688 CG ASN A 87 27.753 50.198 30.341 1.00 45.70 C +ATOM 689 OD1 ASN A 87 26.632 50.509 29.937 1.00 47.60 O +ATOM 690 ND2 ASN A 87 28.747 51.084 30.471 1.00 50.56 N +ATOM 691 N THR A 88 27.917 46.959 27.397 1.00 41.01 N +ATOM 692 CA THR A 88 28.669 46.843 26.136 1.00 40.99 C +ATOM 693 C THR A 88 27.734 46.794 24.913 1.00 41.79 C +ATOM 694 O THR A 88 27.285 45.731 24.559 1.00 42.36 O +ATOM 695 CB THR A 88 29.582 45.601 26.176 1.00 40.40 C +ATOM 696 OG1 THR A 88 30.292 45.483 24.942 1.00 39.62 O +ATOM 697 CG2 THR A 88 28.788 44.322 26.475 1.00 37.33 C +ATOM 698 N PRO A 89 27.477 47.949 24.240 1.00 42.87 N +ATOM 699 CA PRO A 89 26.475 48.029 23.175 1.00 42.92 C +ATOM 700 C PRO A 89 27.048 47.652 21.818 1.00 42.71 C +ATOM 701 O PRO A 89 27.159 48.494 20.931 1.00 43.54 O +ATOM 702 CB PRO A 89 26.077 49.497 23.213 1.00 43.23 C +ATOM 703 CG PRO A 89 27.313 50.198 23.531 1.00 42.90 C +ATOM 704 CD PRO A 89 28.153 49.256 24.381 1.00 43.30 C +ATOM 705 N PHE A 90 27.435 46.382 21.702 1.00 42.23 N +ATOM 706 CA PHE A 90 28.006 45.784 20.511 1.00 40.96 C +ATOM 707 C PHE A 90 27.554 44.344 20.512 1.00 40.81 C +ATOM 708 O PHE A 90 27.402 43.738 21.563 1.00 40.86 O +ATOM 709 CB PHE A 90 29.544 45.844 20.544 1.00 41.64 C +ATOM 710 CG PHE A 90 30.211 45.194 19.374 1.00 39.31 C +ATOM 711 CD1 PHE A 90 30.390 45.887 18.196 1.00 41.39 C +ATOM 712 CD2 PHE A 90 30.613 43.895 19.436 1.00 40.36 C +ATOM 713 CE1 PHE A 90 30.970 45.283 17.108 1.00 41.19 C +ATOM 714 CE2 PHE A 90 31.220 43.289 18.360 1.00 41.53 C +ATOM 715 CZ PHE A 90 31.399 43.994 17.191 1.00 41.33 C +ATOM 716 N PHE A 91 27.314 43.799 19.329 1.00 40.38 N +ATOM 717 CA PHE A 91 27.148 42.378 19.185 1.00 39.89 C +ATOM 718 C PHE A 91 27.535 42.052 17.760 1.00 39.43 C +ATOM 719 O PHE A 91 27.210 42.799 16.859 1.00 37.45 O +ATOM 720 CB PHE A 91 25.728 41.911 19.538 1.00 40.12 C +ATOM 721 CG PHE A 91 25.538 40.465 19.296 1.00 40.51 C +ATOM 722 CD1 PHE A 91 26.157 39.543 20.110 1.00 37.59 C +ATOM 723 CD2 PHE A 91 24.825 40.013 18.204 1.00 40.28 C +ATOM 724 CE1 PHE A 91 26.030 38.196 19.871 1.00 38.41 C +ATOM 725 CE2 PHE A 91 24.738 38.632 17.940 1.00 41.33 C +ATOM 726 CZ PHE A 91 25.347 37.732 18.783 1.00 37.88 C +ATOM 727 N SER A 92 28.323 40.992 17.567 1.00 40.15 N +ATOM 728 CA SER A 92 28.506 40.450 16.224 1.00 40.35 C +ATOM 729 C SER A 92 28.317 38.962 16.239 1.00 40.78 C +ATOM 730 O SER A 92 28.532 38.336 17.245 1.00 40.67 O +ATOM 731 CB SER A 92 29.862 40.833 15.625 1.00 40.06 C +ATOM 732 OG SER A 92 30.932 40.135 16.210 1.00 39.68 O +ATOM 733 N ASP A 93 27.897 38.412 15.107 1.00 42.29 N +ATOM 734 CA ASP A 93 27.812 36.964 14.894 1.00 43.85 C +ATOM 735 C ASP A 93 28.109 36.680 13.401 1.00 44.67 C +ATOM 736 O ASP A 93 28.633 37.538 12.687 1.00 44.06 O +ATOM 737 CB ASP A 93 26.422 36.453 15.338 1.00 44.12 C +ATOM 738 CG ASP A 93 26.386 34.940 15.730 1.00 45.53 C +ATOM 739 OD1 ASP A 93 26.963 34.053 15.048 1.00 47.21 O +ATOM 740 OD2 ASP A 93 25.689 34.616 16.710 1.00 47.08 O +ATOM 741 N HIS A 94 27.757 35.475 12.963 1.00 46.43 N +ATOM 742 CA HIS A 94 28.089 34.926 11.666 1.00 48.15 C +ATOM 743 C HIS A 94 26.819 34.573 10.919 1.00 50.60 C +ATOM 744 O HIS A 94 25.743 34.497 11.533 1.00 50.96 O +ATOM 745 CB HIS A 94 28.843 33.599 11.884 1.00 47.38 C +ATOM 746 CG HIS A 94 29.996 33.684 12.834 1.00 45.13 C +ATOM 747 ND1 HIS A 94 29.847 33.531 14.191 1.00 43.02 N +ATOM 748 CD2 HIS A 94 31.324 33.846 12.618 1.00 43.86 C +ATOM 749 CE1 HIS A 94 31.030 33.631 14.776 1.00 43.52 C +ATOM 750 NE2 HIS A 94 31.943 33.836 13.845 1.00 41.11 N +ATOM 751 N ALEU A 95 26.933 34.319 9.613 0.50 52.25 N +ATOM 752 N BLEU A 95 26.936 34.305 9.617 0.50 52.29 N +ATOM 753 CA ALEU A 95 25.778 33.814 8.819 0.50 53.58 C +ATOM 754 CA BLEU A 95 25.773 33.842 8.814 0.50 53.66 C +ATOM 755 C ALEU A 95 25.323 32.373 9.136 0.50 54.88 C +ATOM 756 C BLEU A 95 25.322 32.369 9.049 0.50 54.93 C +ATOM 757 O ALEU A 95 24.120 32.131 9.337 0.50 54.83 O +ATOM 758 O BLEU A 95 24.113 32.104 9.120 0.50 54.98 O +ATOM 759 CB ALEU A 95 26.004 33.977 7.310 0.50 53.39 C +ATOM 760 CB BLEU A 95 25.973 34.157 7.320 0.50 53.50 C +ATOM 761 CG ALEU A 95 25.486 35.329 6.803 0.50 53.52 C +ATOM 762 CG BLEU A 95 26.084 35.670 7.028 0.50 53.64 C +ATOM 763 CD1ALEU A 95 26.543 36.444 6.982 0.50 53.15 C +ATOM 764 CD1BLEU A 95 26.018 35.935 5.539 0.50 53.39 C +ATOM 765 CD2ALEU A 95 25.056 35.183 5.371 0.50 52.63 C +ATOM 766 CD2BLEU A 95 25.005 36.496 7.736 0.50 52.14 C +ATOM 767 N SER A 96 26.257 31.428 9.204 1.00 56.28 N +ATOM 768 CA SER A 96 25.885 30.026 9.527 1.00 58.51 C +ATOM 769 C SER A 96 26.622 29.380 10.730 1.00 59.80 C +ATOM 770 O SER A 96 27.668 29.871 11.159 1.00 61.03 O +ATOM 771 CB SER A 96 26.006 29.160 8.261 1.00 59.24 C +ATOM 772 OG SER A 96 24.925 29.429 7.333 1.00 62.39 O +ATOM 773 N PHE A 97 26.024 28.316 11.289 1.00 60.90 N +ATOM 774 CA PHE A 97 26.670 27.367 12.247 1.00 61.33 C +ATOM 775 C PHE A 97 26.991 27.966 13.611 1.00 61.57 C +ATOM 776 O PHE A 97 26.939 27.253 14.636 1.00 62.24 O +ATOM 777 CB PHE A 97 27.933 26.679 11.650 1.00 61.25 C +ATOM 778 N LEU A 107 28.097 20.542 5.087 1.00 65.40 N +ATOM 779 CA LEU A 107 27.453 20.085 3.850 1.00 65.32 C +ATOM 780 C LEU A 107 27.202 21.259 2.861 1.00 65.14 C +ATOM 781 O LEU A 107 28.152 21.942 2.439 1.00 65.37 O +ATOM 782 N LEU A 108 25.920 21.490 2.532 1.00 64.25 N +ATOM 783 CA LEU A 108 25.473 22.415 1.466 1.00 62.97 C +ATOM 784 C LEU A 108 26.202 23.761 1.221 1.00 61.64 C +ATOM 785 O LEU A 108 26.620 24.414 2.185 1.00 61.87 O +ATOM 786 N PRO A 109 26.355 24.168 -0.073 1.00 59.85 N +ATOM 787 CA PRO A 109 26.851 25.506 -0.436 1.00 58.70 C +ATOM 788 C PRO A 109 26.086 26.687 0.206 1.00 57.45 C +ATOM 789 O PRO A 109 24.905 26.552 0.551 1.00 57.67 O +ATOM 790 CB PRO A 109 26.674 25.536 -1.966 1.00 58.89 C +ATOM 791 CG PRO A 109 26.759 24.099 -2.397 1.00 59.27 C +ATOM 792 CD PRO A 109 26.094 23.345 -1.280 1.00 59.92 C +HETATM 793 N AMSE A 110 26.778 27.814 0.304 0.50 56.61 N +HETATM 794 N BMSE A 110 26.766 27.816 0.455 0.50 56.78 N +HETATM 795 CA AMSE A 110 26.205 29.065 0.768 0.50 55.63 C +HETATM 796 CA BMSE A 110 26.085 29.083 0.852 0.50 55.86 C +HETATM 797 C AMSE A 110 26.022 29.913 -0.491 0.50 53.72 C +HETATM 798 C BMSE A 110 25.993 29.873 -0.454 0.50 53.86 C +HETATM 799 O AMSE A 110 26.997 30.451 -1.001 0.50 53.79 O +HETATM 800 O BMSE A 110 27.014 30.324 -0.963 0.50 53.87 O +HETATM 801 CB AMSE A 110 27.168 29.721 1.769 0.50 56.19 C +HETATM 802 CB BMSE A 110 26.860 29.895 1.932 0.50 56.64 C +HETATM 803 CG AMSE A 110 27.594 28.780 2.913 0.50 57.47 C +HETATM 804 CG BMSE A 110 26.070 30.243 3.259 0.50 58.10 C +HETATM 805 SE AMSE A 110 26.127 28.350 4.146 0.37 62.30 SE +HETATM 806 SE BMSE A 110 24.785 31.779 3.324 0.38 62.97 SE +HETATM 807 CE AMSE A 110 25.181 26.874 3.285 0.50 57.62 C +HETATM 808 CE BMSE A 110 23.878 31.400 5.001 0.50 58.70 C +ATOM 809 N PRO A 111 24.785 29.985 -1.036 1.00 51.78 N +ATOM 810 CA PRO A 111 24.602 30.746 -2.263 1.00 49.12 C +ATOM 811 C PRO A 111 24.553 32.233 -1.989 1.00 45.97 C +ATOM 812 O PRO A 111 23.877 32.698 -1.061 1.00 44.81 O +ATOM 813 CB PRO A 111 23.268 30.232 -2.812 1.00 49.31 C +ATOM 814 CG PRO A 111 22.530 29.785 -1.652 1.00 50.64 C +ATOM 815 CD PRO A 111 23.516 29.392 -0.586 1.00 51.50 C +ATOM 816 N PHE A 112 25.323 32.964 -2.775 1.00 42.71 N +ATOM 817 CA PHE A 112 25.310 34.409 -2.746 1.00 40.53 C +ATOM 818 C PHE A 112 24.300 34.883 -3.810 1.00 38.96 C +ATOM 819 O PHE A 112 24.653 35.202 -4.932 1.00 37.81 O +ATOM 820 CB PHE A 112 26.723 34.967 -2.984 1.00 40.54 C +ATOM 821 CG PHE A 112 27.806 34.386 -2.074 1.00 39.45 C +ATOM 822 CD1 PHE A 112 27.545 33.992 -0.790 1.00 40.51 C +ATOM 823 CD2 PHE A 112 29.096 34.292 -2.515 1.00 39.68 C +ATOM 824 CE1 PHE A 112 28.537 33.492 -0.009 1.00 40.25 C +ATOM 825 CE2 PHE A 112 30.074 33.817 -1.721 1.00 39.34 C +ATOM 826 CZ PHE A 112 29.793 33.411 -0.484 1.00 39.52 C +ATOM 827 N THR A 113 23.020 34.836 -3.438 1.00 37.96 N +ATOM 828 CA THR A 113 21.905 35.223 -4.285 1.00 36.81 C +ATOM 829 C THR A 113 21.164 36.365 -3.596 1.00 36.75 C +ATOM 830 O THR A 113 21.328 36.594 -2.409 1.00 36.70 O +ATOM 831 CB THR A 113 20.956 34.045 -4.485 1.00 36.57 C +ATOM 832 OG1 THR A 113 20.379 33.699 -3.238 1.00 34.84 O +ATOM 833 CG2 THR A 113 21.690 32.838 -5.029 1.00 35.56 C +ATOM 834 N ASP A 114 20.356 37.098 -4.338 1.00 37.07 N +ATOM 835 CA ASP A 114 19.513 38.128 -3.744 1.00 37.49 C +ATOM 836 C ASP A 114 18.489 37.563 -2.735 1.00 37.71 C +ATOM 837 O ASP A 114 18.093 38.214 -1.772 1.00 37.48 O +ATOM 838 CB ASP A 114 18.769 38.856 -4.860 1.00 38.30 C +ATOM 839 CG ASP A 114 18.018 40.087 -4.369 1.00 37.82 C +ATOM 840 OD1 ASP A 114 18.671 41.029 -3.843 1.00 39.35 O +ATOM 841 OD2 ASP A 114 16.786 40.104 -4.545 1.00 34.90 O +ATOM 842 N GLU A 115 18.044 36.350 -2.980 1.00 37.80 N +ATOM 843 CA GLU A 115 17.136 35.704 -2.086 1.00 37.99 C +ATOM 844 C GLU A 115 17.798 35.499 -0.729 1.00 37.14 C +ATOM 845 O GLU A 115 17.144 35.585 0.271 1.00 37.63 O +ATOM 846 CB GLU A 115 16.723 34.382 -2.706 1.00 38.76 C +ATOM 847 CG GLU A 115 15.676 33.618 -1.941 1.00 42.76 C +ATOM 848 CD GLU A 115 15.803 32.114 -2.140 1.00 48.01 C +ATOM 849 OE1 GLU A 115 15.522 31.643 -3.268 1.00 50.27 O +ATOM 850 OE2 GLU A 115 16.188 31.419 -1.155 1.00 54.00 O +ATOM 851 N ALA A 116 19.099 35.237 -0.688 1.00 36.45 N +ATOM 852 CA ALA A 116 19.786 34.982 0.568 1.00 35.46 C +ATOM 853 C ALA A 116 20.091 36.310 1.232 1.00 35.52 C +ATOM 854 O ALA A 116 20.012 36.386 2.446 1.00 35.77 O +ATOM 855 CB ALA A 116 21.088 34.215 0.340 1.00 35.78 C +ATOM 856 N VAL A 117 20.470 37.333 0.438 1.00 35.01 N +ATOM 857 CA VAL A 117 20.677 38.710 0.920 1.00 34.16 C +ATOM 858 C VAL A 117 19.436 39.213 1.633 1.00 34.41 C +ATOM 859 O VAL A 117 19.540 39.701 2.756 1.00 34.93 O +ATOM 860 CB VAL A 117 21.052 39.714 -0.205 1.00 33.81 C +ATOM 861 CG1 VAL A 117 20.989 41.159 0.282 1.00 32.62 C +ATOM 862 CG2 VAL A 117 22.450 39.428 -0.747 1.00 32.78 C +ATOM 863 N LYS A 118 18.276 39.087 1.001 1.00 34.81 N +ATOM 864 CA LYS A 118 17.005 39.612 1.562 1.00 34.89 C +ATOM 865 C LYS A 118 16.576 38.857 2.815 1.00 35.16 C +ATOM 866 O LYS A 118 16.216 39.467 3.817 1.00 35.53 O +ATOM 867 CB LYS A 118 15.889 39.617 0.519 1.00 34.28 C +ATOM 868 CG LYS A 118 16.195 40.501 -0.702 1.00 35.01 C +ATOM 869 CD LYS A 118 15.915 41.989 -0.509 1.00 34.56 C +ATOM 870 CE LYS A 118 16.186 42.866 -1.771 1.00 33.15 C +ATOM 871 NZ LYS A 118 17.641 43.030 -2.092 1.00 33.52 N +ATOM 872 N HIS A 119 16.633 37.530 2.752 1.00 36.40 N +ATOM 873 CA HIS A 119 16.497 36.632 3.933 1.00 36.65 C +ATOM 874 C HIS A 119 17.410 36.988 5.093 1.00 36.87 C +ATOM 875 O HIS A 119 16.944 37.164 6.191 1.00 38.57 O +ATOM 876 CB HIS A 119 16.731 35.161 3.527 1.00 37.41 C +ATOM 877 CG HIS A 119 16.483 34.179 4.628 1.00 37.51 C +ATOM 878 ND1 HIS A 119 15.216 33.839 5.044 1.00 39.47 N +ATOM 879 CD2 HIS A 119 17.342 33.496 5.428 1.00 37.50 C +ATOM 880 CE1 HIS A 119 15.305 32.983 6.049 1.00 38.68 C +ATOM 881 NE2 HIS A 119 16.583 32.764 6.305 1.00 37.96 N +ATOM 882 N THR A 120 18.706 37.106 4.869 1.00 37.12 N +ATOM 883 CA THR A 120 19.646 37.376 5.964 1.00 37.30 C +ATOM 884 C THR A 120 19.506 38.765 6.535 1.00 37.12 C +ATOM 885 O THR A 120 19.611 38.949 7.728 1.00 37.41 O +ATOM 886 CB THR A 120 21.083 37.191 5.492 1.00 37.27 C +ATOM 887 OG1 THR A 120 21.232 35.846 5.040 1.00 38.87 O +ATOM 888 CG2 THR A 120 22.102 37.498 6.610 1.00 37.12 C +ATOM 889 N ALA A 121 19.290 39.743 5.658 1.00 37.11 N +ATOM 890 CA ALA A 121 19.144 41.132 6.040 1.00 36.32 C +ATOM 891 C ALA A 121 17.928 41.286 6.964 1.00 35.71 C +ATOM 892 O ALA A 121 17.995 41.958 7.969 1.00 35.16 O +ATOM 893 CB ALA A 121 19.007 41.990 4.787 1.00 35.92 C +ATOM 894 N ALA A 122 16.817 40.639 6.599 1.00 36.01 N +ATOM 895 CA ALA A 122 15.586 40.650 7.356 1.00 35.05 C +ATOM 896 C ALA A 122 15.733 40.054 8.728 1.00 35.28 C +ATOM 897 O ALA A 122 14.989 40.440 9.616 1.00 36.95 O +ATOM 898 CB ALA A 122 14.488 39.889 6.594 1.00 34.81 C +ATOM 899 N ARG A 123 16.638 39.089 8.919 1.00 35.21 N +ATOM 900 CA ARG A 123 16.787 38.468 10.229 1.00 34.56 C +ATOM 901 C ARG A 123 17.641 39.330 11.118 1.00 33.63 C +ATOM 902 O ARG A 123 17.447 39.374 12.324 1.00 32.18 O +ATOM 903 CB ARG A 123 17.383 37.061 10.129 1.00 34.85 C +ATOM 904 CG ARG A 123 16.441 36.011 9.551 1.00 35.91 C +ATOM 905 CD ARG A 123 17.221 34.741 9.131 1.00 36.49 C +ATOM 906 NE ARG A 123 17.847 34.061 10.277 1.00 36.91 N +ATOM 907 CZ ARG A 123 17.246 33.125 10.999 1.00 36.66 C +ATOM 908 NH1 ARG A 123 16.026 32.745 10.706 1.00 36.08 N +ATOM 909 NH2 ARG A 123 17.874 32.565 12.020 1.00 38.97 N +ATOM 910 N ILE A 124 18.642 39.957 10.498 1.00 33.91 N +ATOM 911 CA ILE A 124 19.517 40.917 11.153 1.00 33.34 C +ATOM 912 C ILE A 124 18.729 42.135 11.646 1.00 35.37 C +ATOM 913 O ILE A 124 18.987 42.631 12.734 1.00 35.31 O +ATOM 914 CB ILE A 124 20.638 41.423 10.233 1.00 32.14 C +ATOM 915 CG1 ILE A 124 21.616 40.295 9.908 1.00 31.09 C +ATOM 916 CG2 ILE A 124 21.328 42.541 10.940 1.00 30.30 C +ATOM 917 CD1 ILE A 124 22.638 40.622 8.787 1.00 32.08 C +ATOM 918 N ARG A 125 17.761 42.612 10.858 1.00 37.96 N +ATOM 919 CA ARG A 125 16.850 43.689 11.307 1.00 39.18 C +ATOM 920 C ARG A 125 15.972 43.292 12.488 1.00 40.96 C +ATOM 921 O ARG A 125 15.592 44.150 13.286 1.00 42.22 O +ATOM 922 CB ARG A 125 15.987 44.205 10.148 1.00 38.93 C +ATOM 923 CG ARG A 125 16.785 44.916 9.067 1.00 38.16 C +ATOM 924 CD ARG A 125 15.876 45.796 8.215 1.00 37.85 C +ATOM 925 NE ARG A 125 14.974 44.955 7.444 1.00 36.38 N +ATOM 926 CZ ARG A 125 15.223 44.489 6.221 1.00 35.92 C +ATOM 927 NH1 ARG A 125 16.329 44.777 5.582 1.00 39.09 N +ATOM 928 NH2 ARG A 125 14.355 43.706 5.621 1.00 38.90 N +ATOM 929 N GLU A 126 15.611 42.013 12.582 1.00 42.63 N +ATOM 930 CA GLU A 126 14.876 41.487 13.753 1.00 43.38 C +ATOM 931 C GLU A 126 15.737 41.415 14.991 1.00 41.57 C +ATOM 932 O GLU A 126 15.271 41.690 16.082 1.00 40.75 O +ATOM 933 CB GLU A 126 14.389 40.060 13.512 1.00 43.94 C +ATOM 934 CG GLU A 126 13.239 39.904 12.523 1.00 47.48 C +ATOM 935 CD GLU A 126 12.729 38.449 12.435 1.00 47.67 C +ATOM 936 OE1 GLU A 126 12.464 37.855 13.533 1.00 52.14 O +ATOM 937 OE2 GLU A 126 12.594 37.942 11.271 1.00 53.14 O +ATOM 938 N VAL A 127 16.983 40.984 14.814 1.00 41.36 N +ATOM 939 CA VAL A 127 17.936 40.900 15.913 1.00 40.61 C +ATOM 940 C VAL A 127 18.260 42.292 16.429 1.00 41.38 C +ATOM 941 O VAL A 127 18.280 42.511 17.634 1.00 42.32 O +ATOM 942 CB VAL A 127 19.241 40.150 15.535 1.00 40.50 C +ATOM 943 CG1 VAL A 127 20.243 40.279 16.657 1.00 37.60 C +ATOM 944 CG2 VAL A 127 18.950 38.678 15.233 1.00 38.73 C +ATOM 945 N GLN A 128 18.494 43.230 15.521 1.00 41.79 N +ATOM 946 CA GLN A 128 18.661 44.639 15.883 1.00 41.73 C +ATOM 947 C GLN A 128 17.468 45.210 16.672 1.00 43.12 C +ATOM 948 O GLN A 128 17.684 45.866 17.689 1.00 44.15 O +ATOM 949 CB GLN A 128 19.020 45.491 14.650 1.00 41.28 C +ATOM 950 CG GLN A 128 20.475 45.280 14.303 1.00 40.87 C +ATOM 951 CD GLN A 128 21.001 45.931 13.035 1.00 40.70 C +ATOM 952 OE1 GLN A 128 22.223 46.052 12.866 1.00 38.68 O +ATOM 953 NE2 GLN A 128 20.120 46.298 12.137 1.00 36.42 N +ATOM 954 N ASP A 129 16.223 44.943 16.254 1.00 43.52 N +ATOM 955 CA ASP A 129 15.039 45.434 16.974 1.00 43.78 C +ATOM 956 C ASP A 129 14.881 44.896 18.378 1.00 43.52 C +ATOM 957 O ASP A 129 14.378 45.611 19.258 1.00 43.30 O +ATOM 958 CB ASP A 129 13.774 45.061 16.220 1.00 44.03 C +ATOM 959 CG ASP A 129 13.659 45.788 14.906 1.00 46.82 C +ATOM 960 OD1 ASP A 129 14.571 46.605 14.632 1.00 49.72 O +ATOM 961 OD2 ASP A 129 12.685 45.536 14.134 1.00 48.12 O +ATOM 962 N PHE A 130 15.242 43.621 18.552 1.00 42.88 N +ATOM 963 CA PHE A 130 15.127 42.936 19.823 1.00 42.81 C +ATOM 964 C PHE A 130 16.192 43.453 20.757 1.00 42.55 C +ATOM 965 O PHE A 130 15.877 43.804 21.893 1.00 42.95 O +ATOM 966 CB PHE A 130 15.276 41.415 19.652 1.00 43.53 C +ATOM 967 CG PHE A 130 15.160 40.614 20.953 1.00 43.79 C +ATOM 968 CD1 PHE A 130 16.141 40.680 21.936 1.00 44.36 C +ATOM 969 CD2 PHE A 130 14.094 39.760 21.164 1.00 45.54 C +ATOM 970 CE1 PHE A 130 16.038 39.956 23.101 1.00 43.49 C +ATOM 971 CE2 PHE A 130 13.996 39.029 22.337 1.00 45.59 C +ATOM 972 CZ PHE A 130 14.973 39.139 23.305 1.00 44.29 C +ATOM 973 N LEU A 131 17.446 43.475 20.296 1.00 41.77 N +ATOM 974 CA LEU A 131 18.576 43.877 21.138 1.00 41.64 C +ATOM 975 C LEU A 131 18.633 45.397 21.356 1.00 42.10 C +ATOM 976 O LEU A 131 19.252 45.874 22.307 1.00 42.30 O +ATOM 977 CB LEU A 131 19.903 43.397 20.535 1.00 41.56 C +ATOM 978 CG LEU A 131 20.256 41.911 20.440 1.00 40.49 C +ATOM 979 CD1 LEU A 131 21.696 41.779 19.833 1.00 36.28 C +ATOM 980 CD2 LEU A 131 20.152 41.226 21.803 1.00 35.17 C +ATOM 981 N GLU A 132 17.980 46.133 20.466 1.00 42.90 N +ATOM 982 CA GLU A 132 17.928 47.617 20.451 1.00 43.51 C +ATOM 983 C GLU A 132 19.262 48.289 20.190 1.00 42.86 C +ATOM 984 O GLU A 132 19.472 49.453 20.530 1.00 42.65 O +ATOM 985 CB GLU A 132 17.257 48.183 21.703 1.00 43.80 C +ATOM 986 CG GLU A 132 15.926 47.507 21.971 1.00 45.42 C +ATOM 987 CD GLU A 132 15.171 48.091 23.126 1.00 46.09 C +ATOM 988 OE1 GLU A 132 14.423 49.061 22.883 1.00 49.73 O +ATOM 989 OE2 GLU A 132 15.297 47.546 24.247 1.00 44.84 O +ATOM 990 N ILE A 133 20.148 47.535 19.557 1.00 42.79 N +ATOM 991 CA ILE A 133 21.417 48.031 19.124 1.00 41.28 C +ATOM 992 C ILE A 133 21.613 47.561 17.704 1.00 41.65 C +ATOM 993 O ILE A 133 21.001 46.613 17.251 1.00 41.02 O +ATOM 994 CB ILE A 133 22.567 47.531 20.032 1.00 41.60 C +ATOM 995 CG1 ILE A 133 22.734 46.004 19.984 1.00 40.97 C +ATOM 996 CG2 ILE A 133 22.322 47.975 21.437 1.00 39.98 C +ATOM 997 CD1 ILE A 133 24.147 45.529 20.253 1.00 41.69 C +ATOM 998 N GLN A 134 22.496 48.230 17.008 1.00 41.76 N +ATOM 999 CA GLN A 134 23.004 47.746 15.746 1.00 42.47 C +ATOM 1000 C GLN A 134 24.045 46.638 15.968 1.00 41.90 C +ATOM 1001 O GLN A 134 24.951 46.734 16.846 1.00 42.16 O +ATOM 1002 CB GLN A 134 23.584 48.943 14.957 1.00 43.26 C +ATOM 1003 CG GLN A 134 24.577 48.614 13.920 1.00 46.08 C +ATOM 1004 CD GLN A 134 24.998 49.812 13.137 1.00 50.65 C +ATOM 1005 OE1 GLN A 134 26.134 50.246 13.261 1.00 57.14 O +ATOM 1006 NE2 GLN A 134 24.107 50.338 12.290 1.00 53.10 N +ATOM 1007 N ILE A 135 23.940 45.605 15.136 1.00 41.13 N +ATOM 1008 CA ILE A 135 24.877 44.480 15.192 1.00 40.46 C +ATOM 1009 C ILE A 135 25.888 44.617 14.042 1.00 40.90 C +ATOM 1010 O ILE A 135 25.766 45.505 13.216 1.00 41.58 O +ATOM 1011 CB ILE A 135 24.127 43.077 15.319 1.00 40.00 C +ATOM 1012 CG1 ILE A 135 23.602 42.596 13.976 1.00 37.71 C +ATOM 1013 CG2 ILE A 135 22.957 43.199 16.328 1.00 36.33 C +ATOM 1014 CD1 ILE A 135 23.330 41.170 13.901 1.00 37.30 C +ATOM 1015 N SER A 136 26.939 43.814 14.088 1.00 41.10 N +ATOM 1016 CA SER A 136 27.902 43.666 13.014 1.00 41.09 C +ATOM 1017 C SER A 136 27.867 42.176 12.524 1.00 41.28 C +ATOM 1018 O SER A 136 27.508 41.256 13.285 1.00 42.02 O +ATOM 1019 CB SER A 136 29.298 44.074 13.511 1.00 41.35 C +ATOM 1020 OG SER A 136 29.497 45.497 13.486 1.00 41.39 O +ATOM 1021 N VAL A 137 28.190 41.935 11.255 1.00 40.42 N +ATOM 1022 CA VAL A 137 28.143 40.579 10.673 1.00 40.23 C +ATOM 1023 C VAL A 137 29.592 40.240 10.403 1.00 39.08 C +ATOM 1024 O VAL A 137 30.320 41.074 9.915 1.00 38.56 O +ATOM 1025 CB VAL A 137 27.246 40.553 9.379 1.00 39.81 C +ATOM 1026 CG1 VAL A 137 27.560 39.383 8.466 1.00 42.23 C +ATOM 1027 CG2 VAL A 137 25.789 40.511 9.765 1.00 41.25 C +ATOM 1028 N GLU A 138 30.043 39.065 10.794 1.00 39.01 N +ATOM 1029 CA GLU A 138 31.423 38.699 10.498 1.00 39.59 C +ATOM 1030 C GLU A 138 31.515 37.874 9.208 1.00 40.23 C +ATOM 1031 O GLU A 138 30.758 36.950 9.020 1.00 40.27 O +ATOM 1032 CB GLU A 138 32.057 37.934 11.643 1.00 39.36 C +ATOM 1033 CG GLU A 138 33.602 37.833 11.561 1.00 38.81 C +ATOM 1034 CD GLU A 138 34.169 36.684 12.401 1.00 41.02 C +ATOM 1035 OE1 GLU A 138 33.376 35.898 12.973 1.00 45.99 O +ATOM 1036 OE2 GLU A 138 35.411 36.523 12.505 1.00 42.13 O +ATOM 1037 N ASN A 139 32.459 38.222 8.322 1.00 41.50 N +ATOM 1038 CA ASN A 139 32.788 37.382 7.174 1.00 41.27 C +ATOM 1039 C ASN A 139 33.466 36.106 7.647 1.00 42.00 C +ATOM 1040 O ASN A 139 34.410 36.157 8.419 1.00 43.67 O +ATOM 1041 CB ASN A 139 33.670 38.124 6.150 1.00 41.43 C +ATOM 1042 CG ASN A 139 34.982 38.608 6.739 1.00 40.34 C +ATOM 1043 OD1 ASN A 139 34.982 39.444 7.621 1.00 41.36 O +ATOM 1044 ND2 ASN A 139 36.086 38.098 6.251 1.00 36.05 N +ATOM 1045 N THR A 140 32.987 34.968 7.158 1.00 42.24 N +ATOM 1046 CA THR A 140 33.552 33.676 7.477 1.00 42.85 C +ATOM 1047 C THR A 140 34.038 32.877 6.246 1.00 42.75 C +ATOM 1048 O THR A 140 33.643 33.147 5.105 1.00 42.51 O +ATOM 1049 CB THR A 140 32.533 32.803 8.302 1.00 43.01 C +ATOM 1050 OG1 THR A 140 31.225 32.955 7.760 1.00 43.24 O +ATOM 1051 CG2 THR A 140 32.514 33.212 9.787 1.00 43.04 C +ATOM 1052 N SER A 141 34.928 31.916 6.521 1.00 42.55 N +ATOM 1053 CA SER A 141 35.278 30.848 5.612 1.00 42.70 C +ATOM 1054 C SER A 141 34.073 30.015 5.251 1.00 42.71 C +ATOM 1055 O SER A 141 33.251 29.704 6.114 1.00 42.56 O +ATOM 1056 CB SER A 141 36.247 29.921 6.309 1.00 43.31 C +ATOM 1057 OG SER A 141 37.393 30.638 6.688 1.00 45.66 O +ATOM 1058 N TYR A 142 33.958 29.636 3.982 1.00 42.67 N +ATOM 1059 CA TYR A 142 32.922 28.697 3.562 1.00 42.20 C +ATOM 1060 C TYR A 142 33.593 27.586 2.751 1.00 41.98 C +ATOM 1061 O TYR A 142 34.616 27.834 2.080 1.00 40.82 O +ATOM 1062 CB TYR A 142 31.781 29.409 2.806 1.00 42.20 C +ATOM 1063 CG TYR A 142 32.178 30.074 1.511 1.00 42.57 C +ATOM 1064 CD1 TYR A 142 32.759 31.341 1.494 1.00 42.18 C +ATOM 1065 CD2 TYR A 142 31.933 29.456 0.292 1.00 42.98 C +ATOM 1066 CE1 TYR A 142 33.114 31.956 0.291 1.00 42.17 C +ATOM 1067 CE2 TYR A 142 32.292 30.056 -0.904 1.00 42.17 C +ATOM 1068 CZ TYR A 142 32.887 31.295 -0.904 1.00 42.65 C +ATOM 1069 OH TYR A 142 33.236 31.872 -2.107 1.00 43.39 O +ATOM 1070 N TYR A 143 33.024 26.371 2.855 1.00 42.09 N +ATOM 1071 CA TYR A 143 33.593 25.139 2.253 1.00 41.90 C +ATOM 1072 C TYR A 143 33.247 24.996 0.788 1.00 41.44 C +ATOM 1073 O TYR A 143 34.112 24.655 -0.002 1.00 41.72 O +ATOM 1074 CB TYR A 143 33.169 23.855 3.011 1.00 41.49 C +ATOM 1075 N LEU A 144 31.995 25.250 0.421 1.00 41.00 N +ATOM 1076 CA LEU A 144 31.536 24.985 -0.932 1.00 40.70 C +ATOM 1077 C LEU A 144 30.878 26.251 -1.529 1.00 40.56 C +ATOM 1078 O LEU A 144 30.003 26.852 -0.921 1.00 41.43 O +ATOM 1079 CB LEU A 144 30.625 23.733 -0.943 1.00 40.57 C +ATOM 1080 N HIS A 145 31.345 26.687 -2.698 1.00 39.86 N +ATOM 1081 CA HIS A 145 30.748 27.817 -3.413 1.00 39.60 C +ATOM 1082 C HIS A 145 29.563 27.353 -4.264 1.00 39.30 C +ATOM 1083 O HIS A 145 29.688 26.417 -4.988 1.00 39.79 O +ATOM 1084 CB HIS A 145 31.817 28.468 -4.314 1.00 39.55 C +ATOM 1085 CG HIS A 145 31.430 29.820 -4.853 1.00 40.50 C +ATOM 1086 ND1 HIS A 145 31.712 30.994 -4.188 1.00 39.03 N +ATOM 1087 CD2 HIS A 145 30.786 30.179 -5.990 1.00 39.29 C +ATOM 1088 CE1 HIS A 145 31.253 32.013 -4.889 1.00 40.11 C +ATOM 1089 NE2 HIS A 145 30.680 31.545 -5.980 1.00 40.13 N +ATOM 1090 N SER A 146 28.415 28.008 -4.202 1.00 39.59 N +ATOM 1091 CA SER A 146 27.251 27.565 -4.969 1.00 39.32 C +ATOM 1092 C SER A 146 27.344 27.941 -6.419 1.00 39.04 C +ATOM 1093 O SER A 146 27.675 29.068 -6.726 1.00 39.77 O +ATOM 1094 CB SER A 146 25.989 28.199 -4.429 1.00 39.06 C +ATOM 1095 OG SER A 146 24.899 27.800 -5.224 1.00 39.37 O +ATOM 1096 N GLU A 147 27.010 26.999 -7.296 1.00 39.61 N +ATOM 1097 CA GLU A 147 26.815 27.251 -8.734 1.00 39.73 C +ATOM 1098 C GLU A 147 25.763 28.354 -8.960 1.00 38.90 C +ATOM 1099 O GLU A 147 25.820 29.023 -9.979 1.00 39.50 O +ATOM 1100 CB GLU A 147 26.340 25.973 -9.491 1.00 40.12 C +ATOM 1101 CG GLU A 147 27.336 24.779 -9.685 1.00 41.49 C +ATOM 1102 N THR A 148 24.804 28.524 -8.034 1.00 37.94 N +ATOM 1103 CA THR A 148 23.649 29.448 -8.214 1.00 36.59 C +ATOM 1104 C THR A 148 23.935 30.904 -7.844 1.00 36.98 C +ATOM 1105 O THR A 148 23.114 31.804 -8.080 1.00 37.67 O +ATOM 1106 CB THR A 148 22.412 29.004 -7.415 1.00 35.86 C +ATOM 1107 OG1 THR A 148 22.579 29.307 -6.034 1.00 32.74 O +ATOM 1108 CG2 THR A 148 22.167 27.538 -7.589 1.00 34.76 C +ATOM 1109 N SER A 149 25.118 31.150 -7.304 1.00 36.73 N +ATOM 1110 CA SER A 149 25.475 32.453 -6.845 1.00 36.08 C +ATOM 1111 C SER A 149 25.448 33.423 -8.019 1.00 36.25 C +ATOM 1112 O SER A 149 25.975 33.118 -9.093 1.00 36.14 O +ATOM 1113 CB SER A 149 26.868 32.430 -6.193 1.00 36.50 C +ATOM 1114 OG SER A 149 26.885 31.679 -4.984 1.00 35.76 O +ATOM 1115 N THR A 150 24.850 34.599 -7.786 1.00 36.04 N +ATOM 1116 CA THR A 150 24.871 35.729 -8.736 1.00 35.12 C +ATOM 1117 C THR A 150 25.857 36.844 -8.329 1.00 35.92 C +ATOM 1118 O THR A 150 26.036 37.823 -9.040 1.00 37.22 O +ATOM 1119 CB THR A 150 23.436 36.269 -8.960 1.00 34.86 C +ATOM 1120 OG1 THR A 150 22.816 36.633 -7.715 1.00 32.80 O +ATOM 1121 CG2 THR A 150 22.586 35.201 -9.639 1.00 31.10 C +HETATM 1122 N MSE A 151 26.528 36.692 -7.203 1.00 36.63 N +HETATM 1123 CA MSE A 151 27.445 37.736 -6.746 1.00 37.54 C +HETATM 1124 C MSE A 151 28.631 37.107 -6.019 1.00 37.01 C +HETATM 1125 O MSE A 151 28.619 35.898 -5.743 1.00 36.46 O +HETATM 1126 CB MSE A 151 26.705 38.806 -5.890 1.00 37.94 C +HETATM 1127 CG MSE A 151 26.089 38.324 -4.590 1.00 38.50 C +HETATM 1128 SE MSE A 151 24.935 39.662 -3.887 0.75 40.29 SE +HETATM 1129 CE MSE A 151 23.223 39.260 -4.711 1.00 32.26 C +ATOM 1130 N ASN A 152 29.684 37.887 -5.794 1.00 36.81 N +ATOM 1131 CA ASN A 152 30.858 37.352 -5.126 1.00 37.62 C +ATOM 1132 C ASN A 152 30.789 37.632 -3.615 1.00 38.13 C +ATOM 1133 O ASN A 152 29.843 38.302 -3.156 1.00 37.57 O +ATOM 1134 CB ASN A 152 32.139 37.873 -5.779 1.00 37.71 C +ATOM 1135 CG ASN A 152 32.369 39.319 -5.515 1.00 37.69 C +ATOM 1136 OD1 ASN A 152 31.831 39.885 -4.568 1.00 36.47 O +ATOM 1137 ND2 ASN A 152 33.176 39.942 -6.349 1.00 36.62 N +ATOM 1138 N GLU A 153 31.752 37.127 -2.822 1.00 38.56 N +ATOM 1139 CA GLU A 153 31.631 37.258 -1.349 1.00 38.92 C +ATOM 1140 C GLU A 153 31.553 38.685 -0.822 1.00 38.99 C +ATOM 1141 O GLU A 153 30.707 38.966 0.025 1.00 38.94 O +ATOM 1142 CB GLU A 153 32.714 36.483 -0.590 1.00 39.72 C +ATOM 1143 CG GLU A 153 32.386 36.262 0.926 1.00 40.24 C +ATOM 1144 CD GLU A 153 33.600 35.860 1.787 1.00 40.38 C +ATOM 1145 OE1 GLU A 153 34.610 35.411 1.209 1.00 41.47 O +ATOM 1146 OE2 GLU A 153 33.536 35.982 3.035 1.00 41.03 O +ATOM 1147 N VAL A 154 32.417 39.592 -1.284 1.00 38.98 N +ATOM 1148 CA VAL A 154 32.355 40.989 -0.797 1.00 39.08 C +ATOM 1149 C VAL A 154 31.082 41.742 -1.244 1.00 39.63 C +ATOM 1150 O VAL A 154 30.533 42.546 -0.493 1.00 40.66 O +ATOM 1151 CB VAL A 154 33.633 41.791 -1.130 1.00 38.40 C +ATOM 1152 CG1 VAL A 154 33.778 42.024 -2.601 1.00 35.83 C +ATOM 1153 CG2 VAL A 154 33.586 43.067 -0.362 1.00 37.70 C +ATOM 1154 N GLU A 155 30.575 41.437 -2.436 1.00 40.23 N +ATOM 1155 CA GLU A 155 29.225 41.911 -2.859 1.00 40.10 C +ATOM 1156 C GLU A 155 28.057 41.474 -1.968 1.00 39.68 C +ATOM 1157 O GLU A 155 27.083 42.226 -1.697 1.00 39.82 O +ATOM 1158 CB GLU A 155 28.949 41.468 -4.286 1.00 39.21 C +ATOM 1159 CG GLU A 155 29.742 42.230 -5.301 1.00 41.64 C +ATOM 1160 CD GLU A 155 29.641 41.689 -6.755 1.00 42.61 C +ATOM 1161 OE1 GLU A 155 29.339 40.489 -6.994 1.00 46.11 O +ATOM 1162 OE2 GLU A 155 29.873 42.501 -7.672 1.00 47.04 O +ATOM 1163 N PHE A 156 28.139 40.225 -1.559 1.00 39.54 N +ATOM 1164 CA PHE A 156 27.148 39.600 -0.719 1.00 39.24 C +ATOM 1165 C PHE A 156 27.137 40.260 0.659 1.00 39.30 C +ATOM 1166 O PHE A 156 26.100 40.682 1.116 1.00 40.24 O +ATOM 1167 CB PHE A 156 27.461 38.097 -0.640 1.00 38.76 C +ATOM 1168 CG PHE A 156 26.435 37.282 0.109 1.00 37.92 C +ATOM 1169 CD1 PHE A 156 25.151 37.166 -0.354 1.00 37.88 C +ATOM 1170 CD2 PHE A 156 26.773 36.616 1.257 1.00 37.80 C +ATOM 1171 CE1 PHE A 156 24.236 36.408 0.299 1.00 36.59 C +ATOM 1172 CE2 PHE A 156 25.855 35.888 1.925 1.00 38.01 C +ATOM 1173 CZ PHE A 156 24.580 35.781 1.430 1.00 38.46 C +ATOM 1174 N LEU A 157 28.291 40.299 1.313 1.00 39.41 N +ATOM 1175 CA LEU A 157 28.467 40.965 2.597 1.00 39.25 C +ATOM 1176 C LEU A 157 27.979 42.390 2.548 1.00 38.88 C +ATOM 1177 O LEU A 157 27.158 42.790 3.371 1.00 39.27 O +ATOM 1178 CB LEU A 157 29.960 40.980 3.006 1.00 39.96 C +ATOM 1179 CG LEU A 157 30.372 41.650 4.334 1.00 39.22 C +ATOM 1180 CD1 LEU A 157 29.694 41.000 5.547 1.00 37.64 C +ATOM 1181 CD2 LEU A 157 31.821 41.540 4.477 1.00 37.44 C +ATOM 1182 N ASN A 158 28.525 43.171 1.612 1.00 38.81 N +ATOM 1183 CA ASN A 158 28.115 44.570 1.404 1.00 38.13 C +ATOM 1184 C ASN A 158 26.636 44.721 1.276 1.00 37.15 C +ATOM 1185 O ASN A 158 26.076 45.627 1.887 1.00 37.14 O +ATOM 1186 CB ASN A 158 28.745 45.151 0.153 1.00 38.14 C +ATOM 1187 CG ASN A 158 30.148 45.523 0.365 1.00 39.71 C +ATOM 1188 OD1 ASN A 158 30.654 45.511 1.501 1.00 41.73 O +ATOM 1189 ND2 ASN A 158 30.815 45.881 -0.717 1.00 39.18 N +ATOM 1190 N ALA A 159 26.010 43.847 0.472 1.00 37.15 N +ATOM 1191 CA ALA A 159 24.560 43.875 0.267 1.00 36.56 C +ATOM 1192 C ALA A 159 23.768 43.569 1.522 1.00 37.20 C +ATOM 1193 O ALA A 159 22.730 44.164 1.763 1.00 38.17 O +ATOM 1194 CB ALA A 159 24.148 42.913 -0.823 1.00 36.67 C +ATOM 1195 N ILE A 160 24.200 42.586 2.299 1.00 36.68 N +ATOM 1196 CA ILE A 160 23.501 42.263 3.530 1.00 35.84 C +ATOM 1197 C ILE A 160 23.553 43.425 4.527 1.00 36.27 C +ATOM 1198 O ILE A 160 22.511 43.853 5.073 1.00 35.58 O +ATOM 1199 CB ILE A 160 24.017 40.950 4.138 1.00 35.65 C +ATOM 1200 CG1 ILE A 160 23.653 39.810 3.180 1.00 34.07 C +ATOM 1201 CG2 ILE A 160 23.427 40.737 5.529 1.00 34.62 C +ATOM 1202 CD1 ILE A 160 24.252 38.488 3.473 1.00 34.11 C +ATOM 1203 N VAL A 161 24.751 43.973 4.725 1.00 36.85 N +ATOM 1204 CA VAL A 161 24.941 44.979 5.745 1.00 37.19 C +ATOM 1205 C VAL A 161 24.332 46.330 5.334 1.00 38.44 C +ATOM 1206 O VAL A 161 23.975 47.126 6.179 1.00 39.76 O +ATOM 1207 CB VAL A 161 26.423 45.096 6.222 1.00 35.94 C +ATOM 1208 CG1 VAL A 161 27.012 43.694 6.554 1.00 35.67 C +ATOM 1209 CG2 VAL A 161 27.238 45.824 5.218 1.00 34.60 C +ATOM 1210 N GLN A 162 24.184 46.581 4.044 1.00 40.14 N +ATOM 1211 CA GLN A 162 23.537 47.791 3.582 1.00 40.36 C +ATOM 1212 C GLN A 162 22.042 47.675 3.660 1.00 40.61 C +ATOM 1213 O GLN A 162 21.362 48.680 3.931 1.00 39.88 O +ATOM 1214 CB GLN A 162 23.997 48.121 2.147 1.00 40.77 C +ATOM 1215 CG GLN A 162 25.391 48.796 2.118 1.00 42.32 C +ATOM 1216 CD GLN A 162 26.238 48.550 0.853 1.00 42.27 C +ATOM 1217 OE1 GLN A 162 25.740 48.384 -0.256 1.00 44.68 O +ATOM 1218 NE2 GLN A 162 27.531 48.523 1.045 1.00 44.22 N +ATOM 1219 N GLU A 163 21.509 46.470 3.417 1.00 41.45 N +ATOM 1220 CA GLU A 163 20.062 46.227 3.534 1.00 42.37 C +ATOM 1221 C GLU A 163 19.587 46.019 4.979 1.00 42.09 C +ATOM 1222 O GLU A 163 18.486 46.440 5.314 1.00 41.46 O +ATOM 1223 CB GLU A 163 19.578 45.113 2.592 1.00 42.57 C +ATOM 1224 CG GLU A 163 19.671 45.569 1.118 1.00 45.23 C +ATOM 1225 CD GLU A 163 19.284 44.520 0.114 1.00 45.45 C +ATOM 1226 OE1 GLU A 163 18.242 43.843 0.375 1.00 48.71 O +ATOM 1227 OE2 GLU A 163 19.999 44.420 -0.940 1.00 45.86 O +ATOM 1228 N ALA A 164 20.407 45.425 5.844 1.00 42.11 N +ATOM 1229 CA ALA A 164 20.098 45.425 7.287 1.00 41.68 C +ATOM 1230 C ALA A 164 20.542 46.747 8.006 1.00 42.08 C +ATOM 1231 O ALA A 164 20.081 47.039 9.101 1.00 43.01 O +ATOM 1232 CB ALA A 164 20.687 44.204 7.946 1.00 41.35 C +ATOM 1233 N ASN A 165 21.389 47.548 7.360 1.00 41.53 N +ATOM 1234 CA ASN A 165 22.023 48.759 7.944 1.00 40.93 C +ATOM 1235 C ASN A 165 22.716 48.467 9.248 1.00 39.76 C +ATOM 1236 O ASN A 165 22.386 49.010 10.322 1.00 39.37 O +ATOM 1237 CB ASN A 165 21.071 49.965 8.062 1.00 41.09 C +ATOM 1238 CG ASN A 165 21.796 51.268 8.538 1.00 42.44 C +ATOM 1239 OD1 ASN A 165 22.961 51.550 8.207 1.00 46.06 O +ATOM 1240 ND2 ASN A 165 21.077 52.060 9.323 1.00 45.69 N +ATOM 1241 N CYS A 166 23.694 47.591 9.126 1.00 37.62 N +ATOM 1242 CA CYS A 166 24.414 47.065 10.252 1.00 37.50 C +ATOM 1243 C CYS A 166 25.909 47.193 9.974 1.00 36.99 C +ATOM 1244 O CYS A 166 26.297 47.692 8.935 1.00 36.28 O +ATOM 1245 CB CYS A 166 23.986 45.615 10.505 1.00 38.04 C +ATOM 1246 SG CYS A 166 24.570 44.404 9.339 1.00 35.52 S +ATOM 1247 N GLY A 167 26.739 46.840 10.931 1.00 37.34 N +ATOM 1248 CA GLY A 167 28.193 46.950 10.743 1.00 37.33 C +ATOM 1249 C GLY A 167 28.796 45.694 10.176 1.00 38.21 C +ATOM 1250 O GLY A 167 28.099 44.692 10.017 1.00 38.24 O +ATOM 1251 N ILE A 168 30.105 45.769 9.901 1.00 38.71 N +ATOM 1252 CA ILE A 168 30.910 44.699 9.433 1.00 39.33 C +ATOM 1253 C ILE A 168 32.010 44.414 10.494 1.00 39.61 C +ATOM 1254 O ILE A 168 32.746 45.307 10.903 1.00 39.06 O +ATOM 1255 CB ILE A 168 31.646 45.034 8.071 1.00 38.52 C +ATOM 1256 CG1 ILE A 168 30.632 45.261 6.947 1.00 41.28 C +ATOM 1257 CG2 ILE A 168 32.515 43.890 7.695 1.00 37.00 C +ATOM 1258 CD1 ILE A 168 31.267 45.369 5.593 1.00 39.64 C +ATOM 1259 N HIS A 169 32.089 43.161 10.932 1.00 39.48 N +ATOM 1260 CA HIS A 169 33.150 42.688 11.813 1.00 39.16 C +ATOM 1261 C HIS A 169 34.033 42.026 10.783 1.00 39.62 C +ATOM 1262 O HIS A 169 33.665 40.996 10.263 1.00 39.40 O +ATOM 1263 CB HIS A 169 32.540 41.724 12.821 1.00 38.99 C +ATOM 1264 CG HIS A 169 33.520 40.929 13.623 1.00 40.12 C +ATOM 1265 ND1 HIS A 169 33.116 40.134 14.673 1.00 38.29 N +ATOM 1266 CD2 HIS A 169 34.868 40.777 13.524 1.00 39.26 C +ATOM 1267 CE1 HIS A 169 34.177 39.526 15.180 1.00 41.04 C +ATOM 1268 NE2 HIS A 169 35.249 39.900 14.502 1.00 39.04 N +ATOM 1269 N ALEU A 170 35.175 42.637 10.454 0.50 39.90 N +ATOM 1270 N BLEU A 170 35.192 42.629 10.501 0.50 40.05 N +ATOM 1271 CA ALEU A 170 36.060 42.116 9.392 0.50 39.86 C +ATOM 1272 CA BLEU A 170 36.114 42.120 9.475 0.50 40.12 C +ATOM 1273 C ALEU A 170 37.124 41.172 9.931 0.50 40.29 C +ATOM 1274 C BLEU A 170 37.085 41.117 10.045 0.50 40.44 C +ATOM 1275 O ALEU A 170 37.953 41.591 10.728 0.50 41.22 O +ATOM 1276 O BLEU A 170 37.796 41.425 10.994 0.50 41.38 O +ATOM 1277 CB ALEU A 170 36.716 43.262 8.588 0.50 39.25 C +ATOM 1278 CB BLEU A 170 36.885 43.267 8.800 0.50 39.56 C +ATOM 1279 CG ALEU A 170 37.320 42.885 7.220 0.50 38.42 C +ATOM 1280 CG BLEU A 170 37.248 43.074 7.315 0.50 38.69 C +ATOM 1281 CD1ALEU A 170 36.270 42.691 6.125 0.50 33.38 C +ATOM 1282 CD1BLEU A 170 36.971 44.324 6.601 0.50 37.56 C +ATOM 1283 CD2ALEU A 170 38.377 43.907 6.802 0.50 38.87 C +ATOM 1284 CD2BLEU A 170 38.715 42.672 7.085 0.50 36.56 C +ATOM 1285 N ASP A 171 37.109 39.908 9.477 1.00 40.55 N +ATOM 1286 CA ASP A 171 38.156 38.926 9.786 1.00 39.71 C +ATOM 1287 C ASP A 171 39.134 38.763 8.606 1.00 39.20 C +ATOM 1288 O ASP A 171 38.767 38.232 7.594 1.00 38.06 O +ATOM 1289 CB ASP A 171 37.556 37.559 10.146 1.00 40.86 C +ATOM 1290 CG ASP A 171 38.619 36.575 10.710 1.00 42.02 C +ATOM 1291 OD1 ASP A 171 39.643 36.370 10.057 1.00 45.79 O +ATOM 1292 OD2 ASP A 171 38.444 36.045 11.833 1.00 42.54 O +ATOM 1293 N AVAL A 172 40.381 39.196 8.809 0.50 39.14 N +ATOM 1294 N BVAL A 172 40.377 39.215 8.745 0.50 38.83 N +ATOM 1295 CA AVAL A 172 41.400 39.237 7.764 0.50 39.36 C +ATOM 1296 CA BVAL A 172 41.289 39.220 7.600 0.50 38.71 C +ATOM 1297 C AVAL A 172 41.727 37.842 7.270 0.50 39.46 C +ATOM 1298 C BVAL A 172 41.812 37.832 7.254 0.50 39.19 C +ATOM 1299 O AVAL A 172 41.960 37.634 6.072 0.50 39.83 O +ATOM 1300 O BVAL A 172 42.272 37.613 6.119 0.50 39.52 O +ATOM 1301 CB AVAL A 172 42.715 39.908 8.265 0.50 39.15 C +ATOM 1302 CB BVAL A 172 42.453 40.240 7.762 0.50 38.45 C +ATOM 1303 CG1AVAL A 172 43.682 40.058 7.144 0.50 38.56 C +ATOM 1304 CG1BVAL A 172 41.879 41.663 7.740 0.50 36.55 C +ATOM 1305 CG2AVAL A 172 42.433 41.271 8.846 0.50 39.66 C +ATOM 1306 CG2BVAL A 172 43.258 39.966 9.028 0.50 37.34 C +ATOM 1307 N ASN A 173 41.736 36.886 8.195 1.00 39.63 N +ATOM 1308 CA ASN A 173 42.196 35.527 7.906 1.00 39.94 C +ATOM 1309 C ASN A 173 41.195 34.860 7.020 1.00 39.57 C +ATOM 1310 O ASN A 173 41.564 34.141 6.096 1.00 40.24 O +ATOM 1311 CB ASN A 173 42.409 34.659 9.146 1.00 39.98 C +ATOM 1312 CG ASN A 173 43.586 35.097 9.953 1.00 43.17 C +ATOM 1313 OD1 ASN A 173 43.513 36.124 10.629 1.00 48.08 O +ATOM 1314 ND2 ASN A 173 44.702 34.339 9.884 1.00 43.96 N +ATOM 1315 N ASN A 174 39.921 35.102 7.298 1.00 39.22 N +ATOM 1316 CA ASN A 174 38.825 34.478 6.530 1.00 38.26 C +ATOM 1317 C ASN A 174 38.799 34.946 5.069 1.00 37.14 C +ATOM 1318 O ASN A 174 38.402 34.187 4.217 1.00 37.26 O +ATOM 1319 CB ASN A 174 37.480 34.703 7.218 1.00 37.96 C +ATOM 1320 CG ASN A 174 37.368 34.013 8.595 1.00 37.85 C +ATOM 1321 OD1 ASN A 174 38.143 33.141 8.959 1.00 39.52 O +ATOM 1322 ND2 ASN A 174 36.352 34.401 9.337 1.00 39.16 N +ATOM 1323 N ILE A 175 39.252 36.176 4.793 1.00 36.34 N +ATOM 1324 CA ILE A 175 39.416 36.676 3.434 1.00 35.65 C +ATOM 1325 C ILE A 175 40.490 35.874 2.715 1.00 35.95 C +ATOM 1326 O ILE A 175 40.294 35.429 1.584 1.00 36.70 O +ATOM 1327 CB ILE A 175 39.866 38.142 3.403 1.00 35.13 C +ATOM 1328 CG1 ILE A 175 38.841 39.063 4.027 1.00 33.77 C +ATOM 1329 CG2 ILE A 175 40.110 38.590 1.980 1.00 36.37 C +ATOM 1330 CD1 ILE A 175 39.375 40.450 4.265 1.00 32.16 C +ATOM 1331 N TYR A 176 41.638 35.709 3.384 1.00 35.90 N +ATOM 1332 CA TYR A 176 42.770 34.957 2.850 1.00 35.65 C +ATOM 1333 C TYR A 176 42.360 33.515 2.588 1.00 35.78 C +ATOM 1334 O TYR A 176 42.726 32.954 1.584 1.00 36.87 O +ATOM 1335 CB TYR A 176 43.973 35.028 3.809 1.00 35.47 C +ATOM 1336 CG TYR A 176 45.115 34.146 3.400 1.00 36.36 C +ATOM 1337 CD1 TYR A 176 45.906 34.491 2.331 1.00 35.18 C +ATOM 1338 CD2 TYR A 176 45.391 32.952 4.080 1.00 35.62 C +ATOM 1339 CE1 TYR A 176 46.959 33.682 1.926 1.00 38.32 C +ATOM 1340 CE2 TYR A 176 46.404 32.134 3.679 1.00 37.57 C +ATOM 1341 CZ TYR A 176 47.192 32.508 2.589 1.00 37.16 C +ATOM 1342 OH TYR A 176 48.220 31.731 2.164 1.00 39.40 O +ATOM 1343 N VAL A 177 41.603 32.908 3.503 1.00 35.96 N +ATOM 1344 CA VAL A 177 41.232 31.489 3.427 1.00 34.66 C +ATOM 1345 C VAL A 177 40.278 31.268 2.248 1.00 34.97 C +ATOM 1346 O VAL A 177 40.465 30.332 1.497 1.00 35.43 O +ATOM 1347 CB VAL A 177 40.627 30.987 4.791 1.00 34.79 C +ATOM 1348 CG1 VAL A 177 39.814 29.743 4.603 1.00 33.28 C +ATOM 1349 CG2 VAL A 177 41.715 30.750 5.780 1.00 32.28 C +ATOM 1350 N ASN A 178 39.270 32.129 2.054 1.00 35.36 N +ATOM 1351 CA ASN A 178 38.376 32.016 0.875 1.00 34.77 C +ATOM 1352 C ASN A 178 39.125 32.256 -0.464 1.00 35.47 C +ATOM 1353 O ASN A 178 38.801 31.674 -1.503 1.00 36.27 O +ATOM 1354 CB ASN A 178 37.148 32.931 1.043 1.00 35.47 C +ATOM 1355 CG ASN A 178 36.232 32.482 2.186 1.00 33.79 C +ATOM 1356 OD1 ASN A 178 36.242 31.328 2.584 1.00 36.15 O +ATOM 1357 ND2 ASN A 178 35.447 33.389 2.701 1.00 39.04 N +ATOM 1358 N ALA A 179 40.171 33.064 -0.445 1.00 34.89 N +ATOM 1359 CA ALA A 179 40.951 33.266 -1.644 1.00 33.63 C +ATOM 1360 C ALA A 179 41.754 31.988 -1.889 1.00 32.95 C +ATOM 1361 O ALA A 179 41.740 31.445 -2.993 1.00 33.03 O +ATOM 1362 CB ALA A 179 41.820 34.505 -1.522 1.00 32.98 C +ATOM 1363 N VAL A 180 42.413 31.448 -0.875 1.00 32.84 N +ATOM 1364 CA VAL A 180 43.180 30.213 -1.055 1.00 32.32 C +ATOM 1365 C VAL A 180 42.308 29.020 -1.523 1.00 33.01 C +ATOM 1366 O VAL A 180 42.642 28.307 -2.449 1.00 32.78 O +ATOM 1367 CB VAL A 180 43.970 29.832 0.233 1.00 32.40 C +ATOM 1368 CG1 VAL A 180 44.491 28.438 0.147 1.00 28.24 C +ATOM 1369 CG2 VAL A 180 45.120 30.765 0.432 1.00 31.93 C +ATOM 1370 N ASN A 181 41.172 28.825 -0.885 1.00 33.65 N +ATOM 1371 CA ASN A 181 40.332 27.663 -1.148 1.00 33.89 C +ATOM 1372 C ASN A 181 39.611 27.720 -2.484 1.00 34.43 C +ATOM 1373 O ASN A 181 39.505 26.708 -3.144 1.00 35.56 O +ATOM 1374 CB ASN A 181 39.301 27.480 -0.015 1.00 33.56 C +ATOM 1375 CG ASN A 181 39.907 26.859 1.240 1.00 34.52 C +ATOM 1376 OD1 ASN A 181 40.920 26.135 1.198 1.00 34.72 O +ATOM 1377 ND2 ASN A 181 39.280 27.123 2.359 1.00 34.41 N +ATOM 1378 N HIS A 182 39.126 28.885 -2.888 1.00 35.34 N +ATOM 1379 CA HIS A 182 38.236 29.024 -4.073 1.00 35.91 C +ATOM 1380 C HIS A 182 38.832 29.700 -5.319 1.00 35.68 C +ATOM 1381 O HIS A 182 38.430 29.370 -6.459 1.00 36.20 O +ATOM 1382 CB HIS A 182 36.970 29.769 -3.675 1.00 35.98 C +ATOM 1383 CG HIS A 182 36.253 29.136 -2.530 1.00 37.51 C +ATOM 1384 ND1 HIS A 182 35.705 27.877 -2.609 1.00 40.47 N +ATOM 1385 CD2 HIS A 182 36.000 29.579 -1.279 1.00 39.48 C +ATOM 1386 CE1 HIS A 182 35.150 27.568 -1.451 1.00 39.89 C +ATOM 1387 NE2 HIS A 182 35.325 28.580 -0.622 1.00 39.98 N +ATOM 1388 N GLY A 183 39.745 30.647 -5.089 1.00 35.36 N +ATOM 1389 CA GLY A 183 40.459 31.351 -6.136 1.00 35.40 C +ATOM 1390 C GLY A 183 39.601 32.392 -6.802 1.00 35.74 C +ATOM 1391 O GLY A 183 39.949 32.883 -7.867 1.00 35.98 O +ATOM 1392 N LEU A 184 38.489 32.753 -6.158 1.00 36.31 N +ATOM 1393 CA LEU A 184 37.458 33.585 -6.779 1.00 35.97 C +ATOM 1394 C LEU A 184 37.658 35.044 -6.503 1.00 36.32 C +ATOM 1395 O LEU A 184 37.325 35.856 -7.346 1.00 37.12 O +ATOM 1396 CB LEU A 184 36.060 33.172 -6.326 1.00 35.61 C +ATOM 1397 CG LEU A 184 35.584 31.825 -6.821 1.00 35.35 C +ATOM 1398 CD1 LEU A 184 34.321 31.429 -6.080 1.00 36.27 C +ATOM 1399 CD2 LEU A 184 35.370 31.829 -8.337 1.00 38.47 C +ATOM 1400 N LEU A 185 38.180 35.400 -5.329 1.00 36.53 N +ATOM 1401 CA LEU A 185 38.289 36.802 -4.957 1.00 36.42 C +ATOM 1402 C LEU A 185 39.643 37.133 -4.291 1.00 37.00 C +ATOM 1403 O LEU A 185 40.000 36.588 -3.235 1.00 38.79 O +ATOM 1404 CB LEU A 185 37.093 37.122 -4.097 1.00 36.09 C +ATOM 1405 CG LEU A 185 36.800 38.537 -3.679 1.00 36.26 C +ATOM 1406 CD1 LEU A 185 36.861 39.531 -4.845 1.00 35.78 C +ATOM 1407 CD2 LEU A 185 35.465 38.492 -3.008 1.00 35.52 C +ATOM 1408 N ASP A 186 40.413 37.987 -4.961 1.00 37.28 N +ATOM 1409 CA ASP A 186 41.762 38.403 -4.531 1.00 37.84 C +ATOM 1410 C ASP A 186 41.515 39.093 -3.200 1.00 37.61 C +ATOM 1411 O ASP A 186 40.599 39.882 -3.111 1.00 37.60 O +ATOM 1412 CB ASP A 186 42.376 39.347 -5.612 1.00 38.20 C +ATOM 1413 CG ASP A 186 43.804 39.836 -5.295 1.00 39.70 C +ATOM 1414 OD1 ASP A 186 44.194 39.917 -4.120 1.00 44.76 O +ATOM 1415 OD2 ASP A 186 44.560 40.169 -6.240 1.00 41.06 O +ATOM 1416 N PRO A 187 42.293 38.781 -2.154 1.00 37.55 N +ATOM 1417 CA PRO A 187 41.980 39.448 -0.891 1.00 37.89 C +ATOM 1418 C PRO A 187 42.129 40.967 -0.954 1.00 38.11 C +ATOM 1419 O PRO A 187 41.407 41.674 -0.272 1.00 38.04 O +ATOM 1420 CB PRO A 187 42.958 38.833 0.110 1.00 37.88 C +ATOM 1421 CG PRO A 187 43.648 37.718 -0.551 1.00 37.41 C +ATOM 1422 CD PRO A 187 43.470 37.898 -2.038 1.00 38.51 C +ATOM 1423 N HIS A 188 43.042 41.453 -1.798 1.00 38.27 N +ATOM 1424 CA HIS A 188 43.116 42.874 -2.130 1.00 38.40 C +ATOM 1425 C HIS A 188 41.845 43.408 -2.831 1.00 38.38 C +ATOM 1426 O HIS A 188 41.357 44.460 -2.428 1.00 40.06 O +ATOM 1427 CB HIS A 188 44.378 43.199 -2.934 1.00 38.75 C +ATOM 1428 CG HIS A 188 45.646 42.951 -2.174 1.00 37.93 C +ATOM 1429 ND1 HIS A 188 46.855 42.761 -2.790 1.00 41.96 N +ATOM 1430 CD2 HIS A 188 45.880 42.838 -0.848 1.00 38.41 C +ATOM 1431 CE1 HIS A 188 47.788 42.553 -1.876 1.00 42.43 C +ATOM 1432 NE2 HIS A 188 47.221 42.586 -0.687 1.00 41.16 N +ATOM 1433 N VAL A 189 41.262 42.695 -3.791 1.00 37.51 N +ATOM 1434 CA VAL A 189 39.997 43.157 -4.370 1.00 37.09 C +ATOM 1435 C VAL A 189 38.897 43.169 -3.309 1.00 37.83 C +ATOM 1436 O VAL A 189 38.078 44.092 -3.220 1.00 40.21 O +ATOM 1437 CB VAL A 189 39.604 42.342 -5.637 1.00 37.23 C +ATOM 1438 CG1 VAL A 189 38.182 42.748 -6.160 1.00 32.98 C +ATOM 1439 CG2 VAL A 189 40.702 42.526 -6.692 1.00 35.06 C +ATOM 1440 N PHE A 190 38.879 42.164 -2.459 1.00 38.24 N +ATOM 1441 CA PHE A 190 37.930 42.129 -1.364 1.00 38.12 C +ATOM 1442 C PHE A 190 37.930 43.429 -0.520 1.00 38.34 C +ATOM 1443 O PHE A 190 36.876 43.998 -0.257 1.00 39.87 O +ATOM 1444 CB PHE A 190 38.236 40.907 -0.492 1.00 37.83 C +ATOM 1445 CG PHE A 190 37.136 40.537 0.456 1.00 36.95 C +ATOM 1446 CD1 PHE A 190 36.689 41.421 1.415 1.00 37.21 C +ATOM 1447 CD2 PHE A 190 36.548 39.304 0.391 1.00 38.65 C +ATOM 1448 CE1 PHE A 190 35.689 41.077 2.305 1.00 36.97 C +ATOM 1449 CE2 PHE A 190 35.510 38.972 1.276 1.00 39.97 C +ATOM 1450 CZ PHE A 190 35.106 39.874 2.242 1.00 36.34 C +ATOM 1451 N ILE A 191 39.093 43.851 -0.069 1.00 37.66 N +ATOM 1452 CA ILE A 191 39.239 44.935 0.885 1.00 38.25 C +ATOM 1453 C ILE A 191 38.992 46.255 0.192 1.00 39.20 C +ATOM 1454 O ILE A 191 38.430 47.141 0.782 1.00 39.95 O +ATOM 1455 CB ILE A 191 40.682 44.934 1.535 1.00 38.15 C +ATOM 1456 CG1 ILE A 191 40.840 43.772 2.505 1.00 38.54 C +ATOM 1457 CG2 ILE A 191 41.022 46.273 2.246 1.00 36.54 C +ATOM 1458 CD1 ILE A 191 42.328 43.282 2.647 1.00 39.08 C +ATOM 1459 N ASP A 192 39.427 46.382 -1.065 1.00 40.59 N +ATOM 1460 CA ASP A 192 39.142 47.558 -1.896 1.00 40.81 C +ATOM 1461 C ASP A 192 37.666 47.770 -2.092 1.00 41.34 C +ATOM 1462 O ASP A 192 37.265 48.902 -2.322 1.00 42.84 O +ATOM 1463 CB ASP A 192 39.732 47.440 -3.325 1.00 41.54 C +ATOM 1464 CG ASP A 192 41.252 47.562 -3.394 1.00 40.94 C +ATOM 1465 OD1 ASP A 192 41.924 47.964 -2.424 1.00 42.02 O +ATOM 1466 OD2 ASP A 192 41.775 47.217 -4.470 1.00 47.08 O +ATOM 1467 N ASN A 193 36.862 46.707 -2.030 1.00 41.24 N +ATOM 1468 CA ASN A 193 35.419 46.787 -2.367 1.00 41.20 C +ATOM 1469 C ASN A 193 34.444 46.650 -1.196 1.00 40.86 C +ATOM 1470 O ASN A 193 33.252 46.914 -1.354 1.00 40.67 O +ATOM 1471 CB ASN A 193 35.078 45.744 -3.429 1.00 41.22 C +ATOM 1472 CG ASN A 193 35.805 45.995 -4.721 1.00 42.38 C +ATOM 1473 OD1 ASN A 193 35.589 46.990 -5.364 1.00 43.88 O +ATOM 1474 ND2 ASN A 193 36.704 45.107 -5.081 1.00 48.27 N +ATOM 1475 N VAL A 194 34.964 46.248 -0.043 1.00 41.05 N +ATOM 1476 CA VAL A 194 34.188 46.121 1.166 1.00 40.92 C +ATOM 1477 C VAL A 194 33.794 47.532 1.596 1.00 41.15 C +ATOM 1478 O VAL A 194 34.512 48.505 1.331 1.00 41.17 O +ATOM 1479 CB VAL A 194 34.954 45.304 2.296 1.00 41.33 C +ATOM 1480 CG1 VAL A 194 36.055 46.119 2.926 1.00 40.45 C +ATOM 1481 CG2 VAL A 194 33.972 44.770 3.366 1.00 41.02 C +ATOM 1482 N ASP A 195 32.602 47.629 2.175 1.00 40.39 N +ATOM 1483 CA ASP A 195 32.066 48.850 2.738 1.00 40.14 C +ATOM 1484 C ASP A 195 32.834 49.158 4.036 1.00 40.01 C +ATOM 1485 O ASP A 195 32.386 48.881 5.136 1.00 39.44 O +ATOM 1486 CB ASP A 195 30.565 48.655 2.984 1.00 39.55 C +ATOM 1487 CG ASP A 195 29.842 49.940 3.212 1.00 41.27 C +ATOM 1488 OD1 ASP A 195 30.501 50.973 3.428 1.00 47.65 O +ATOM 1489 OD2 ASP A 195 28.612 49.948 3.178 1.00 39.69 O +ATOM 1490 N LEU A 196 34.028 49.715 3.876 1.00 39.95 N +ATOM 1491 CA LEU A 196 34.953 49.985 4.982 1.00 40.18 C +ATOM 1492 C LEU A 196 34.422 51.012 6.020 1.00 39.76 C +ATOM 1493 O LEU A 196 34.739 50.939 7.193 1.00 39.92 O +ATOM 1494 CB LEU A 196 36.312 50.471 4.396 1.00 39.76 C +ATOM 1495 CG LEU A 196 37.136 49.508 3.561 1.00 39.08 C +ATOM 1496 CD1 LEU A 196 38.129 50.249 2.656 1.00 39.57 C +ATOM 1497 CD2 LEU A 196 37.815 48.514 4.505 1.00 39.08 C +ATOM 1498 N LYS A 197 33.629 51.976 5.580 1.00 40.59 N +ATOM 1499 CA LYS A 197 32.955 52.903 6.510 1.00 41.08 C +ATOM 1500 C LYS A 197 32.146 52.137 7.573 1.00 40.02 C +ATOM 1501 O LYS A 197 31.969 52.627 8.666 1.00 39.94 O +ATOM 1502 CB LYS A 197 32.131 53.991 5.750 1.00 41.43 C +ATOM 1503 CG LYS A 197 32.942 55.354 5.495 1.00 44.11 C +ATOM 1504 CD LYS A 197 32.695 56.114 4.115 1.00 42.34 C +ATOM 1505 N ARG A 198 31.760 50.894 7.287 1.00 39.92 N +ATOM 1506 CA ARG A 198 30.998 50.062 8.217 1.00 38.94 C +ATOM 1507 C ARG A 198 31.788 49.112 9.096 1.00 39.01 C +ATOM 1508 O ARG A 198 31.234 48.497 9.990 1.00 39.10 O +ATOM 1509 CB ARG A 198 30.005 49.246 7.452 1.00 38.54 C +ATOM 1510 CG ARG A 198 28.835 50.051 6.979 1.00 38.22 C +ATOM 1511 CD ARG A 198 27.931 49.202 6.138 1.00 39.29 C +ATOM 1512 NE ARG A 198 26.888 50.008 5.493 1.00 41.36 N +ATOM 1513 CZ ARG A 198 25.718 50.312 6.045 1.00 42.27 C +ATOM 1514 NH1 ARG A 198 25.371 49.867 7.246 1.00 44.77 N +ATOM 1515 NH2 ARG A 198 24.878 51.060 5.375 1.00 42.36 N +ATOM 1516 N VAL A 199 33.071 48.958 8.840 1.00 39.12 N +ATOM 1517 CA VAL A 199 33.877 48.080 9.651 1.00 38.66 C +ATOM 1518 C VAL A 199 34.108 48.724 11.024 1.00 39.08 C +ATOM 1519 O VAL A 199 34.776 49.757 11.112 1.00 40.21 O +ATOM 1520 CB VAL A 199 35.244 47.805 8.985 1.00 38.73 C +ATOM 1521 CG1 VAL A 199 36.147 47.058 9.948 1.00 35.06 C +ATOM 1522 CG2 VAL A 199 35.045 47.032 7.649 1.00 38.44 C +ATOM 1523 N ASN A 200 33.562 48.117 12.086 1.00 38.46 N +ATOM 1524 CA ASN A 200 33.761 48.604 13.476 1.00 38.05 C +ATOM 1525 C ASN A 200 34.493 47.662 14.406 1.00 37.33 C +ATOM 1526 O ASN A 200 34.689 47.966 15.578 1.00 36.70 O +ATOM 1527 CB ASN A 200 32.432 49.029 14.142 1.00 37.90 C +ATOM 1528 CG ASN A 200 31.392 47.926 14.184 1.00 39.35 C +ATOM 1529 OD1 ASN A 200 31.607 46.851 13.662 1.00 42.86 O +ATOM 1530 ND2 ASN A 200 30.213 48.209 14.803 1.00 43.41 N +ATOM 1531 N TYR A 201 34.912 46.529 13.856 1.00 37.78 N +ATOM 1532 CA TYR A 201 35.604 45.466 14.604 1.00 38.01 C +ATOM 1533 C TYR A 201 36.407 44.628 13.633 1.00 37.95 C +ATOM 1534 O TYR A 201 35.892 44.286 12.580 1.00 38.28 O +ATOM 1535 CB TYR A 201 34.591 44.589 15.375 1.00 37.81 C +ATOM 1536 CG TYR A 201 35.164 43.715 16.453 1.00 38.00 C +ATOM 1537 CD1 TYR A 201 36.317 44.061 17.132 1.00 38.31 C +ATOM 1538 CD2 TYR A 201 34.550 42.529 16.801 1.00 38.21 C +ATOM 1539 CE1 TYR A 201 36.840 43.254 18.091 1.00 37.38 C +ATOM 1540 CE2 TYR A 201 35.080 41.723 17.767 1.00 36.73 C +ATOM 1541 CZ TYR A 201 36.229 42.106 18.405 1.00 36.28 C +ATOM 1542 OH TYR A 201 36.771 41.341 19.393 1.00 36.18 O +ATOM 1543 N ILE A 202 37.671 44.349 13.981 1.00 37.81 N +ATOM 1544 CA ILE A 202 38.533 43.485 13.180 1.00 38.12 C +ATOM 1545 C ILE A 202 39.127 42.309 13.985 1.00 37.38 C +ATOM 1546 O ILE A 202 39.416 42.453 15.155 1.00 36.54 O +ATOM 1547 CB ILE A 202 39.736 44.286 12.514 1.00 38.33 C +ATOM 1548 CG1 ILE A 202 39.220 45.408 11.601 1.00 38.89 C +ATOM 1549 CG2 ILE A 202 40.703 43.305 11.808 1.00 36.58 C +ATOM 1550 CD1 ILE A 202 40.280 46.281 11.061 1.00 37.74 C +ATOM 1551 N HIS A 203 39.310 41.167 13.323 1.00 38.29 N +ATOM 1552 CA HIS A 203 39.949 39.960 13.892 1.00 37.76 C +ATOM 1553 C HIS A 203 41.124 39.631 13.034 1.00 38.64 C +ATOM 1554 O HIS A 203 41.016 39.699 11.833 1.00 37.96 O +ATOM 1555 CB HIS A 203 39.059 38.748 13.764 1.00 38.27 C +ATOM 1556 CG HIS A 203 38.134 38.507 14.919 1.00 39.11 C +ATOM 1557 ND1 HIS A 203 37.325 37.393 14.984 1.00 39.15 N +ATOM 1558 CD2 HIS A 203 37.883 39.222 16.041 1.00 40.09 C +ATOM 1559 CE1 HIS A 203 36.620 37.431 16.101 1.00 39.91 C +ATOM 1560 NE2 HIS A 203 36.930 38.537 16.755 1.00 38.72 N +ATOM 1561 N ILE A 204 42.242 39.263 13.655 1.00 39.10 N +ATOM 1562 CA ILE A 204 43.415 38.753 12.973 1.00 39.63 C +ATOM 1563 C ILE A 204 43.939 37.587 13.796 1.00 39.86 C +ATOM 1564 O ILE A 204 43.980 37.695 15.013 1.00 40.17 O +ATOM 1565 CB ILE A 204 44.519 39.833 12.847 1.00 39.80 C +ATOM 1566 CG1 ILE A 204 45.751 39.236 12.175 1.00 40.41 C +ATOM 1567 CG2 ILE A 204 44.901 40.393 14.207 1.00 38.91 C +ATOM 1568 CD1 ILE A 204 46.396 40.134 11.195 1.00 40.53 C +ATOM 1569 N ALA A 205 44.293 36.467 13.163 1.00 41.12 N +ATOM 1570 CA ALA A 205 45.116 35.404 13.831 1.00 42.12 C +ATOM 1571 C ALA A 205 46.478 35.254 13.198 1.00 42.78 C +ATOM 1572 O ALA A 205 47.420 34.816 13.892 1.00 46.12 O +ATOM 1573 CB ALA A 205 44.404 34.096 13.820 1.00 41.71 C +ATOM 1574 N GLY A 248 51.788 36.059 8.166 1.00 51.99 N +ATOM 1575 CA GLY A 248 52.748 36.508 7.164 1.00 52.17 C +ATOM 1576 C GLY A 248 52.075 37.302 6.049 1.00 52.41 C +ATOM 1577 O GLY A 248 52.024 38.534 6.112 1.00 52.60 O +ATOM 1578 N THR A 249 51.564 36.604 5.022 1.00 52.30 N +ATOM 1579 CA THR A 249 50.714 37.219 3.988 1.00 51.73 C +ATOM 1580 C THR A 249 49.482 37.870 4.654 1.00 51.72 C +ATOM 1581 O THR A 249 48.996 38.883 4.156 1.00 52.05 O +ATOM 1582 CB THR A 249 50.277 36.210 2.871 1.00 50.53 C +ATOM 1583 N VAL A 250 49.011 37.323 5.787 1.00 51.64 N +ATOM 1584 CA VAL A 250 47.765 37.776 6.470 1.00 51.69 C +ATOM 1585 C VAL A 250 47.978 39.063 7.299 1.00 52.23 C +ATOM 1586 O VAL A 250 47.105 39.917 7.432 1.00 51.72 O +ATOM 1587 CB VAL A 250 47.196 36.642 7.378 1.00 51.28 C +ATOM 1588 CG1 VAL A 250 46.355 37.193 8.480 1.00 50.84 C +ATOM 1589 CG2 VAL A 250 46.396 35.681 6.578 1.00 51.14 C +ATOM 1590 N TRP A 251 49.157 39.150 7.885 1.00 53.56 N +ATOM 1591 CA TRP A 251 49.655 40.346 8.535 1.00 54.15 C +ATOM 1592 C TRP A 251 49.628 41.542 7.578 1.00 52.93 C +ATOM 1593 O TRP A 251 49.206 42.641 7.918 1.00 52.62 O +ATOM 1594 CB TRP A 251 51.112 40.099 8.967 1.00 56.59 C +ATOM 1595 CG TRP A 251 51.540 41.181 9.773 1.00 59.00 C +ATOM 1596 CD1 TRP A 251 52.423 42.212 9.448 1.00 60.14 C +ATOM 1597 CD2 TRP A 251 51.024 41.460 11.068 1.00 62.32 C +ATOM 1598 NE1 TRP A 251 52.494 43.096 10.509 1.00 61.07 N +ATOM 1599 CE2 TRP A 251 51.641 42.661 11.513 1.00 62.43 C +ATOM 1600 CE3 TRP A 251 50.099 40.791 11.919 1.00 61.60 C +ATOM 1601 CZ2 TRP A 251 51.357 43.208 12.784 1.00 61.67 C +ATOM 1602 CZ3 TRP A 251 49.810 41.333 13.169 1.00 60.41 C +ATOM 1603 CH2 TRP A 251 50.430 42.530 13.590 1.00 61.03 C +ATOM 1604 N ASP A 252 50.092 41.292 6.361 1.00 51.11 N +ATOM 1605 CA ASP A 252 50.115 42.295 5.323 1.00 49.92 C +ATOM 1606 C ASP A 252 48.728 42.731 4.873 1.00 47.90 C +ATOM 1607 O ASP A 252 48.549 43.887 4.512 1.00 47.95 O +ATOM 1608 CB ASP A 252 50.995 41.809 4.166 1.00 50.60 C +ATOM 1609 CG ASP A 252 52.480 41.686 4.589 1.00 53.41 C +ATOM 1610 OD1 ASP A 252 52.836 42.093 5.734 1.00 55.86 O +ATOM 1611 OD2 ASP A 252 53.298 41.171 3.798 1.00 57.43 O +ATOM 1612 N LEU A 253 47.754 41.827 4.926 1.00 45.45 N +ATOM 1613 CA LEU A 253 46.361 42.180 4.685 1.00 44.15 C +ATOM 1614 C LEU A 253 45.782 43.074 5.764 1.00 41.80 C +ATOM 1615 O LEU A 253 44.849 43.822 5.480 1.00 42.77 O +ATOM 1616 CB LEU A 253 45.484 40.962 4.596 1.00 43.84 C +ATOM 1617 CG LEU A 253 45.613 40.154 3.346 1.00 45.89 C +ATOM 1618 CD1 LEU A 253 44.291 39.486 3.272 1.00 47.70 C +ATOM 1619 CD2 LEU A 253 45.860 41.020 2.118 1.00 46.94 C +ATOM 1620 N LEU A 254 46.305 42.969 6.989 1.00 39.25 N +ATOM 1621 CA LEU A 254 45.939 43.882 8.066 1.00 37.05 C +ATOM 1622 C LEU A 254 46.466 45.264 7.749 1.00 36.25 C +ATOM 1623 O LEU A 254 45.724 46.215 7.864 1.00 35.66 O +ATOM 1624 CB LEU A 254 46.411 43.399 9.420 1.00 35.98 C +ATOM 1625 CG LEU A 254 45.882 44.181 10.620 1.00 36.12 C +ATOM 1626 CD1 LEU A 254 44.440 43.952 10.834 1.00 31.78 C +ATOM 1627 CD2 LEU A 254 46.720 43.773 11.847 1.00 35.03 C +ATOM 1628 N GLU A 255 47.727 45.371 7.308 1.00 36.87 N +ATOM 1629 CA GLU A 255 48.275 46.657 6.892 1.00 36.73 C +ATOM 1630 C GLU A 255 47.508 47.241 5.704 1.00 36.26 C +ATOM 1631 O GLU A 255 47.245 48.430 5.671 1.00 36.39 O +ATOM 1632 CB GLU A 255 49.742 46.555 6.540 1.00 37.07 C +ATOM 1633 CG GLU A 255 50.629 46.272 7.720 1.00 38.46 C +ATOM 1634 CD GLU A 255 52.036 46.869 7.599 1.00 41.38 C +ATOM 1635 OE1 GLU A 255 52.184 48.066 7.264 1.00 41.06 O +ATOM 1636 OE2 GLU A 255 53.019 46.148 7.909 1.00 46.11 O +ATOM 1637 N TYR A 256 47.146 46.395 4.741 1.00 35.62 N +ATOM 1638 CA TYR A 256 46.409 46.814 3.565 1.00 34.85 C +ATOM 1639 C TYR A 256 45.086 47.398 3.973 1.00 35.10 C +ATOM 1640 O TYR A 256 44.668 48.387 3.408 1.00 35.96 O +ATOM 1641 CB TYR A 256 46.229 45.636 2.600 1.00 34.57 C +ATOM 1642 CG TYR A 256 45.739 45.958 1.221 1.00 31.60 C +ATOM 1643 CD1 TYR A 256 46.611 46.275 0.209 1.00 30.72 C +ATOM 1644 CD2 TYR A 256 44.396 45.901 0.921 1.00 32.46 C +ATOM 1645 CE1 TYR A 256 46.160 46.559 -1.084 1.00 29.99 C +ATOM 1646 CE2 TYR A 256 43.935 46.178 -0.364 1.00 31.02 C +ATOM 1647 CZ TYR A 256 44.818 46.533 -1.353 1.00 31.77 C +ATOM 1648 OH TYR A 256 44.310 46.804 -2.612 1.00 32.22 O +ATOM 1649 N THR A 257 44.438 46.815 4.975 1.00 36.05 N +ATOM 1650 CA THR A 257 43.118 47.285 5.470 1.00 36.50 C +ATOM 1651 C THR A 257 43.329 48.576 6.251 1.00 36.24 C +ATOM 1652 O THR A 257 42.671 49.584 6.008 1.00 36.00 O +ATOM 1653 CB THR A 257 42.441 46.186 6.333 1.00 36.42 C +ATOM 1654 OG1 THR A 257 42.495 44.939 5.622 1.00 37.93 O +ATOM 1655 CG2 THR A 257 41.040 46.519 6.670 1.00 37.44 C +ATOM 1656 N TYR A 258 44.318 48.574 7.129 1.00 36.56 N +ATOM 1657 CA TYR A 258 44.658 49.768 7.934 1.00 36.57 C +ATOM 1658 C TYR A 258 44.970 51.046 7.100 1.00 36.17 C +ATOM 1659 O TYR A 258 44.584 52.139 7.498 1.00 36.07 O +ATOM 1660 CB TYR A 258 45.815 49.407 8.906 1.00 37.40 C +ATOM 1661 CG TYR A 258 45.432 48.630 10.193 1.00 37.39 C +ATOM 1662 CD1 TYR A 258 44.145 48.109 10.397 1.00 40.09 C +ATOM 1663 CD2 TYR A 258 46.378 48.412 11.185 1.00 36.67 C +ATOM 1664 CE1 TYR A 258 43.814 47.431 11.588 1.00 38.42 C +ATOM 1665 CE2 TYR A 258 46.067 47.736 12.337 1.00 38.02 C +ATOM 1666 CZ TYR A 258 44.779 47.249 12.556 1.00 39.34 C +ATOM 1667 OH TYR A 258 44.491 46.573 13.745 1.00 39.91 O +ATOM 1668 N ALA A 259 45.662 50.881 5.965 1.00 35.55 N +ATOM 1669 CA ALA A 259 45.886 51.912 4.924 1.00 34.64 C +ATOM 1670 C ALA A 259 44.639 52.481 4.249 1.00 35.05 C +ATOM 1671 O ALA A 259 44.734 53.516 3.589 1.00 35.72 O +ATOM 1672 CB ALA A 259 46.771 51.372 3.849 1.00 33.87 C +ATOM 1673 N ARG A 260 43.501 51.808 4.388 1.00 35.02 N +ATOM 1674 CA ARG A 260 42.238 52.162 3.723 1.00 35.66 C +ATOM 1675 C ARG A 260 41.047 52.461 4.638 1.00 36.10 C +ATOM 1676 O ARG A 260 40.103 53.043 4.154 1.00 37.55 O +ATOM 1677 CB ARG A 260 41.791 51.040 2.758 1.00 35.25 C +ATOM 1678 CG ARG A 260 42.686 50.958 1.547 1.00 35.05 C +ATOM 1679 CD ARG A 260 42.701 49.635 0.833 1.00 33.30 C +ATOM 1680 NE ARG A 260 43.513 49.779 -0.358 1.00 33.79 N +ATOM 1681 CZ ARG A 260 44.849 49.712 -0.380 1.00 35.86 C +ATOM 1682 NH1 ARG A 260 45.525 49.491 0.726 1.00 38.05 N +ATOM 1683 NH2 ARG A 260 45.530 49.877 -1.507 1.00 35.71 N +ATOM 1684 N LEU A 261 41.036 52.067 5.907 1.00 36.63 N +ATOM 1685 CA LEU A 261 39.864 52.345 6.766 1.00 37.66 C +ATOM 1686 C LEU A 261 39.707 53.839 7.007 1.00 39.05 C +ATOM 1687 O LEU A 261 40.651 54.581 6.918 1.00 39.38 O +ATOM 1688 CB LEU A 261 39.973 51.639 8.124 1.00 37.47 C +ATOM 1689 CG LEU A 261 39.913 50.121 8.156 1.00 35.96 C +ATOM 1690 CD1 LEU A 261 40.481 49.606 9.432 1.00 30.34 C +ATOM 1691 CD2 LEU A 261 38.466 49.687 8.008 1.00 36.67 C +ATOM 1692 N SER A 262 38.501 54.274 7.359 1.00 41.04 N +ATOM 1693 CA SER A 262 38.237 55.670 7.698 1.00 41.35 C +ATOM 1694 C SER A 262 38.553 56.033 9.128 1.00 41.17 C +ATOM 1695 O SER A 262 38.605 57.215 9.464 1.00 40.40 O +ATOM 1696 CB SER A 262 36.771 55.978 7.449 1.00 42.24 C +ATOM 1697 OG SER A 262 36.550 56.235 6.066 1.00 46.74 O +ATOM 1698 N HIS A 263 38.710 55.017 9.970 1.00 40.93 N +ATOM 1699 CA HIS A 263 38.955 55.189 11.394 1.00 41.30 C +ATOM 1700 C HIS A 263 39.684 53.903 11.799 1.00 40.36 C +ATOM 1701 O HIS A 263 39.824 53.007 10.979 1.00 39.27 O +ATOM 1702 CB HIS A 263 37.622 55.354 12.163 1.00 42.22 C +ATOM 1703 CG HIS A 263 36.576 54.344 11.768 1.00 45.17 C +ATOM 1704 ND1 HIS A 263 35.499 54.661 10.965 1.00 45.93 N +ATOM 1705 CD2 HIS A 263 36.503 53.001 11.987 1.00 47.67 C +ATOM 1706 CE1 HIS A 263 34.795 53.561 10.735 1.00 48.21 C +ATOM 1707 NE2 HIS A 263 35.379 52.540 11.347 1.00 47.40 N +HETATM 1708 N MSE A 264 40.138 53.824 13.053 1.00 39.40 N +HETATM 1709 CA MSE A 264 40.864 52.653 13.553 1.00 38.61 C +HETATM 1710 C MSE A 264 40.001 51.902 14.563 1.00 38.63 C +HETATM 1711 O MSE A 264 39.866 52.353 15.694 1.00 38.39 O +HETATM 1712 CB MSE A 264 42.174 53.089 14.184 1.00 38.45 C +HETATM 1713 CG MSE A 264 43.061 51.989 14.630 1.00 38.04 C +HETATM 1714 SE MSE A 264 43.343 50.581 13.354 0.75 40.71 SE +HETATM 1715 CE MSE A 264 44.424 51.566 12.101 1.00 31.58 C +ATOM 1716 N PRO A 265 39.364 50.780 14.135 1.00 38.70 N +ATOM 1717 CA PRO A 265 38.542 50.020 15.004 1.00 38.84 C +ATOM 1718 C PRO A 265 39.331 49.103 15.904 1.00 39.65 C +ATOM 1719 O PRO A 265 40.528 48.873 15.665 1.00 40.24 O +ATOM 1720 CB PRO A 265 37.686 49.203 14.042 1.00 39.33 C +ATOM 1721 CG PRO A 265 38.519 48.998 12.886 1.00 38.81 C +ATOM 1722 CD PRO A 265 39.329 50.226 12.766 1.00 39.41 C +ATOM 1723 N PRO A 266 38.669 48.598 16.964 1.00 39.41 N +ATOM 1724 CA PRO A 266 39.239 47.587 17.811 1.00 39.34 C +ATOM 1725 C PRO A 266 39.628 46.390 17.000 1.00 39.08 C +ATOM 1726 O PRO A 266 38.856 45.943 16.151 1.00 39.15 O +ATOM 1727 CB PRO A 266 38.083 47.233 18.743 1.00 39.17 C +ATOM 1728 CG PRO A 266 37.272 48.417 18.791 1.00 39.63 C +ATOM 1729 CD PRO A 266 37.342 49.002 17.441 1.00 39.72 C +ATOM 1730 N THR A 267 40.807 45.882 17.288 1.00 38.92 N +ATOM 1731 CA THR A 267 41.372 44.752 16.591 1.00 38.14 C +ATOM 1732 C THR A 267 41.798 43.708 17.649 1.00 39.26 C +ATOM 1733 O THR A 267 42.585 44.012 18.550 1.00 38.61 O +ATOM 1734 CB THR A 267 42.562 45.240 15.719 1.00 38.11 C +ATOM 1735 OG1 THR A 267 42.082 46.266 14.845 1.00 33.16 O +ATOM 1736 CG2 THR A 267 43.187 44.114 14.911 1.00 34.95 C +ATOM 1737 N LEU A 268 41.263 42.491 17.528 1.00 40.40 N +ATOM 1738 CA LEU A 268 41.464 41.406 18.490 1.00 41.77 C +ATOM 1739 C LEU A 268 42.382 40.371 17.879 1.00 43.61 C +ATOM 1740 O LEU A 268 42.224 40.060 16.708 1.00 44.54 O +ATOM 1741 CB LEU A 268 40.128 40.731 18.794 1.00 41.95 C +ATOM 1742 CG LEU A 268 39.985 39.812 19.992 1.00 41.40 C +ATOM 1743 CD1 LEU A 268 39.139 40.521 21.116 1.00 37.93 C +ATOM 1744 CD2 LEU A 268 39.356 38.466 19.523 1.00 39.64 C +ATOM 1745 N LEU A 269 43.356 39.878 18.651 1.00 45.36 N +ATOM 1746 CA LEU A 269 44.122 38.675 18.304 1.00 46.72 C +ATOM 1747 C LEU A 269 43.214 37.486 18.568 1.00 49.37 C +ATOM 1748 O LEU A 269 42.804 37.228 19.709 1.00 50.18 O +ATOM 1749 CB LEU A 269 45.387 38.566 19.137 1.00 45.90 C +ATOM 1750 CG LEU A 269 46.327 37.401 18.827 1.00 43.67 C +ATOM 1751 CD1 LEU A 269 47.060 37.654 17.566 1.00 39.89 C +ATOM 1752 CD2 LEU A 269 47.272 37.236 19.963 1.00 39.18 C +ATOM 1753 N GLU A 270 42.833 36.802 17.505 1.00 52.21 N +ATOM 1754 CA GLU A 270 42.036 35.578 17.615 1.00 54.77 C +ATOM 1755 C GLU A 270 42.990 34.371 17.430 1.00 57.35 C +ATOM 1756 O GLU A 270 43.843 34.369 16.529 1.00 58.05 O +ATOM 1757 CB GLU A 270 40.932 35.604 16.548 1.00 54.25 C +ATOM 1758 CG GLU A 270 40.110 34.362 16.507 1.00 53.92 C +ATOM 1759 CD GLU A 270 38.922 34.434 15.571 1.00 54.17 C +ATOM 1760 OE1 GLU A 270 39.063 34.964 14.436 1.00 51.04 O +ATOM 1761 OE2 GLU A 270 37.854 33.904 15.974 1.00 54.22 O +ATOM 1762 N ARG A 271 42.873 33.345 18.266 1.00 60.59 N +ATOM 1763 CA ARG A 271 43.798 32.206 18.163 1.00 63.03 C +ATOM 1764 C ARG A 271 43.042 30.885 18.117 1.00 63.50 C +ATOM 1765 O ARG A 271 42.478 30.471 19.134 1.00 64.68 O +ATOM 1766 CB ARG A 271 44.815 32.249 19.329 1.00 64.00 C +ATOM 1767 CG ARG A 271 46.264 31.854 18.942 1.00 68.23 C +ATOM 1768 CD ARG A 271 46.818 32.678 17.691 1.00 74.33 C +ATOM 1769 NE ARG A 271 47.762 33.783 17.993 1.00 77.28 N +ATOM 1770 CZ ARG A 271 49.033 33.645 18.424 1.00 78.01 C +ATOM 1771 NH1 ARG A 271 49.552 32.428 18.655 1.00 77.96 N +ATOM 1772 NH2 ARG A 271 49.793 34.733 18.650 1.00 77.05 N +ATOM 1773 N PHE A 275 47.148 26.996 21.100 1.00 62.62 N +ATOM 1774 CA PHE A 275 47.042 27.322 22.527 1.00 62.55 C +ATOM 1775 C PHE A 275 48.423 27.578 23.220 1.00 62.42 C +ATOM 1776 O PHE A 275 48.875 26.711 23.968 1.00 62.35 O +ATOM 1777 CB PHE A 275 46.277 26.202 23.274 1.00 62.54 C +ATOM 1778 N PRO A 276 49.075 28.769 22.976 1.00 61.98 N +ATOM 1779 CA PRO A 276 50.343 29.295 23.609 1.00 61.23 C +ATOM 1780 C PRO A 276 50.183 30.077 24.937 1.00 59.88 C +ATOM 1781 O PRO A 276 49.054 30.432 25.309 1.00 60.02 O +ATOM 1782 CB PRO A 276 50.880 30.258 22.546 1.00 61.08 C +ATOM 1783 CG PRO A 276 49.658 30.794 21.916 1.00 61.92 C +ATOM 1784 CD PRO A 276 48.585 29.714 21.947 1.00 62.16 C +ATOM 1785 N PRO A 277 51.311 30.381 25.627 1.00 58.06 N +ATOM 1786 CA PRO A 277 51.282 30.988 26.972 1.00 56.92 C +ATOM 1787 C PRO A 277 50.940 32.484 26.973 1.00 55.42 C +ATOM 1788 O PRO A 277 51.303 33.197 26.040 1.00 55.66 O +ATOM 1789 CB PRO A 277 52.714 30.770 27.490 1.00 56.92 C +ATOM 1790 CG PRO A 277 53.548 30.722 26.298 1.00 57.38 C +ATOM 1791 CD PRO A 277 52.698 30.177 25.165 1.00 58.06 C +ATOM 1792 N PHE A 278 50.284 32.947 28.037 1.00 53.39 N +ATOM 1793 CA PHE A 278 49.623 34.265 28.055 1.00 51.40 C +ATOM 1794 C PHE A 278 50.539 35.397 27.636 1.00 51.26 C +ATOM 1795 O PHE A 278 50.154 36.219 26.820 1.00 51.21 O +ATOM 1796 CB PHE A 278 49.088 34.577 29.450 1.00 49.79 C +ATOM 1797 CG PHE A 278 48.212 35.785 29.514 1.00 47.92 C +ATOM 1798 CD1 PHE A 278 46.948 35.765 28.995 1.00 44.61 C +ATOM 1799 CD2 PHE A 278 48.642 36.940 30.128 1.00 46.75 C +ATOM 1800 CE1 PHE A 278 46.146 36.861 29.076 1.00 43.82 C +ATOM 1801 CE2 PHE A 278 47.819 38.043 30.200 1.00 44.87 C +ATOM 1802 CZ PHE A 278 46.583 37.992 29.681 1.00 44.57 C +ATOM 1803 N GLU A 279 51.746 35.457 28.191 1.00 50.91 N +ATOM 1804 CA GLU A 279 52.635 36.583 27.888 1.00 50.42 C +ATOM 1805 C GLU A 279 53.052 36.619 26.400 1.00 49.40 C +ATOM 1806 O GLU A 279 53.227 37.706 25.878 1.00 49.93 O +ATOM 1807 CB GLU A 279 53.837 36.624 28.858 1.00 51.11 C +ATOM 1808 CG GLU A 279 54.875 37.760 28.624 1.00 52.64 C +ATOM 1809 CD GLU A 279 54.331 39.197 28.822 1.00 56.29 C +ATOM 1810 OE1 GLU A 279 53.504 39.425 29.751 1.00 56.82 O +ATOM 1811 OE2 GLU A 279 54.776 40.094 28.051 1.00 57.20 O +ATOM 1812 N LYS A 280 53.170 35.465 25.717 1.00 47.90 N +ATOM 1813 CA LYS A 280 53.346 35.427 24.240 1.00 46.29 C +ATOM 1814 C LYS A 280 52.158 36.099 23.562 1.00 45.25 C +ATOM 1815 O LYS A 280 52.327 36.946 22.686 1.00 45.63 O +ATOM 1816 CB LYS A 280 53.474 33.993 23.697 1.00 46.07 C +ATOM 1817 N LEU A 281 50.954 35.714 23.966 1.00 43.36 N +ATOM 1818 CA LEU A 281 49.727 36.328 23.448 1.00 42.02 C +ATOM 1819 C LEU A 281 49.703 37.853 23.671 1.00 41.50 C +ATOM 1820 O LEU A 281 49.232 38.595 22.811 1.00 42.38 O +ATOM 1821 CB LEU A 281 48.489 35.669 24.062 1.00 40.95 C +ATOM 1822 CG LEU A 281 48.212 34.225 23.666 1.00 39.37 C +ATOM 1823 CD1 LEU A 281 47.054 33.707 24.491 1.00 39.72 C +ATOM 1824 CD2 LEU A 281 47.923 34.066 22.219 1.00 36.64 C +ATOM 1825 N CYS A 282 50.200 38.322 24.808 1.00 40.84 N +ATOM 1826 CA CYS A 282 50.309 39.750 25.040 1.00 40.26 C +ATOM 1827 C CYS A 282 51.357 40.416 24.128 1.00 40.34 C +ATOM 1828 O CYS A 282 51.184 41.570 23.741 1.00 39.88 O +ATOM 1829 CB CYS A 282 50.656 40.042 26.494 1.00 40.18 C +ATOM 1830 SG CYS A 282 49.433 39.609 27.714 1.00 39.82 S +ATOM 1831 N LYS A 283 52.459 39.727 23.810 1.00 39.99 N +ATOM 1832 CA LYS A 283 53.459 40.324 22.911 1.00 39.78 C +ATOM 1833 C LYS A 283 52.872 40.436 21.501 1.00 39.33 C +ATOM 1834 O LYS A 283 53.128 41.413 20.820 1.00 40.12 O +ATOM 1835 CB LYS A 283 54.828 39.600 22.964 1.00 40.04 C +ATOM 1836 CG LYS A 283 55.569 39.782 24.350 1.00 39.58 C +ATOM 1837 CD LYS A 283 57.010 39.203 24.481 1.00 39.97 C +ATOM 1838 CE LYS A 283 57.506 39.203 25.956 1.00 37.63 C +ATOM 1839 N GLU A 284 52.046 39.468 21.093 1.00 38.20 N +ATOM 1840 CA GLU A 284 51.387 39.498 19.811 1.00 36.67 C +ATOM 1841 C GLU A 284 50.394 40.657 19.803 1.00 36.61 C +ATOM 1842 O GLU A 284 50.309 41.331 18.807 1.00 35.57 O +ATOM 1843 CB GLU A 284 50.738 38.143 19.436 1.00 37.03 C +ATOM 1844 CG GLU A 284 51.758 36.997 19.121 1.00 34.33 C +ATOM 1845 N VAL A 285 49.692 40.921 20.915 1.00 37.17 N +ATOM 1846 CA VAL A 285 48.743 42.053 21.025 1.00 37.36 C +ATOM 1847 C VAL A 285 49.465 43.435 20.955 1.00 38.66 C +ATOM 1848 O VAL A 285 48.964 44.370 20.346 1.00 39.80 O +ATOM 1849 CB VAL A 285 47.837 41.963 22.292 1.00 36.75 C +ATOM 1850 CG1 VAL A 285 46.930 43.162 22.350 1.00 36.47 C +ATOM 1851 CG2 VAL A 285 47.014 40.702 22.295 1.00 33.73 C +ATOM 1852 N ASP A 286 50.645 43.559 21.554 1.00 39.77 N +ATOM 1853 CA ASP A 286 51.452 44.792 21.485 1.00 40.30 C +ATOM 1854 C ASP A 286 51.811 45.172 20.048 1.00 40.35 C +ATOM 1855 O ASP A 286 51.881 46.334 19.731 1.00 40.90 O +ATOM 1856 CB ASP A 286 52.768 44.625 22.254 1.00 40.72 C +ATOM 1857 CG ASP A 286 52.597 44.667 23.760 1.00 43.13 C +ATOM 1858 OD1 ASP A 286 51.540 45.149 24.255 1.00 47.79 O +ATOM 1859 OD2 ASP A 286 53.544 44.229 24.459 1.00 44.52 O +ATOM 1860 N ILE A 287 52.084 44.170 19.223 1.00 40.20 N +ATOM 1861 CA ILE A 287 52.412 44.315 17.821 1.00 40.18 C +ATOM 1862 C ILE A 287 51.203 44.764 17.019 1.00 39.92 C +ATOM 1863 O ILE A 287 51.306 45.673 16.225 1.00 41.33 O +ATOM 1864 CB ILE A 287 53.009 42.983 17.275 1.00 40.03 C +ATOM 1865 CG1 ILE A 287 54.444 42.814 17.796 1.00 41.33 C +ATOM 1866 CG2 ILE A 287 53.005 42.925 15.775 1.00 40.51 C +ATOM 1867 CD1 ILE A 287 55.044 41.428 17.553 1.00 41.56 C +ATOM 1868 N ILE A 288 50.047 44.160 17.209 1.00 39.35 N +ATOM 1869 CA ILE A 288 48.839 44.697 16.591 1.00 38.85 C +ATOM 1870 C ILE A 288 48.733 46.167 16.977 1.00 39.00 C +ATOM 1871 O ILE A 288 48.461 46.993 16.150 1.00 39.72 O +ATOM 1872 CB ILE A 288 47.592 44.025 17.101 1.00 38.87 C +ATOM 1873 CG1 ILE A 288 47.585 42.539 16.727 1.00 40.23 C +ATOM 1874 CG2 ILE A 288 46.295 44.734 16.605 1.00 36.11 C +ATOM 1875 CD1 ILE A 288 46.342 41.792 17.376 1.00 39.46 C +ATOM 1876 N HIS A 289 48.971 46.504 18.233 1.00 38.71 N +ATOM 1877 CA HIS A 289 48.758 47.861 18.670 1.00 38.42 C +ATOM 1878 C HIS A 289 49.773 48.843 18.098 1.00 38.01 C +ATOM 1879 O HIS A 289 49.439 49.955 17.721 1.00 37.19 O +ATOM 1880 CB HIS A 289 48.746 47.954 20.203 1.00 38.58 C +ATOM 1881 CG HIS A 289 48.191 49.252 20.709 1.00 39.57 C +ATOM 1882 ND1 HIS A 289 47.045 49.831 20.182 1.00 39.74 N +ATOM 1883 CD2 HIS A 289 48.633 50.093 21.670 1.00 40.54 C +ATOM 1884 CE1 HIS A 289 46.805 50.964 20.811 1.00 41.48 C +ATOM 1885 NE2 HIS A 289 47.747 51.140 21.728 1.00 42.43 N +ATOM 1886 N GLN A 290 51.027 48.438 18.072 1.00 38.24 N +ATOM 1887 CA GLN A 290 52.068 49.247 17.483 1.00 39.10 C +ATOM 1888 C GLN A 290 51.736 49.529 16.024 1.00 38.29 C +ATOM 1889 O GLN A 290 51.970 50.609 15.543 1.00 38.61 O +ATOM 1890 CB GLN A 290 53.405 48.535 17.588 1.00 38.83 C +ATOM 1891 CG GLN A 290 53.906 48.303 19.016 1.00 40.30 C +ATOM 1892 CD GLN A 290 55.312 47.677 19.004 1.00 42.64 C +ATOM 1893 OE1 GLN A 290 55.989 47.653 17.951 1.00 47.88 O +ATOM 1894 NE2 GLN A 290 55.759 47.190 20.160 1.00 45.02 N +ATOM 1895 N LEU A 291 51.152 48.555 15.347 1.00 38.09 N +ATOM 1896 CA LEU A 291 50.738 48.708 13.980 1.00 38.04 C +ATOM 1897 C LEU A 291 49.538 49.650 13.850 1.00 37.77 C +ATOM 1898 O LEU A 291 49.431 50.380 12.888 1.00 39.33 O +ATOM 1899 CB LEU A 291 50.401 47.347 13.380 1.00 37.97 C +ATOM 1900 CG LEU A 291 50.706 47.290 11.898 1.00 39.04 C +ATOM 1901 CD1 LEU A 291 52.180 46.992 11.725 1.00 35.90 C +ATOM 1902 CD2 LEU A 291 49.795 46.257 11.213 1.00 37.95 C +ATOM 1903 N GLN A 292 48.632 49.641 14.805 1.00 36.93 N +ATOM 1904 CA GLN A 292 47.541 50.579 14.814 1.00 36.46 C +ATOM 1905 C GLN A 292 47.990 52.040 14.975 1.00 37.27 C +ATOM 1906 O GLN A 292 47.426 52.955 14.362 1.00 36.66 O +ATOM 1907 CB GLN A 292 46.594 50.247 15.968 1.00 36.95 C +ATOM 1908 CG GLN A 292 45.816 48.938 15.875 1.00 35.76 C +ATOM 1909 CD GLN A 292 44.871 48.774 17.024 1.00 34.91 C +ATOM 1910 OE1 GLN A 292 45.249 48.860 18.169 1.00 36.62 O +ATOM 1911 NE2 GLN A 292 43.633 48.566 16.727 1.00 34.51 N +ATOM 1912 N GLN A 293 48.975 52.258 15.847 1.00 37.96 N +ATOM 1913 CA GLN A 293 49.475 53.569 16.122 1.00 39.03 C +ATOM 1914 C GLN A 293 50.287 54.086 14.976 1.00 39.66 C +ATOM 1915 O GLN A 293 50.390 55.294 14.807 1.00 40.30 O +ATOM 1916 CB GLN A 293 50.408 53.554 17.339 1.00 39.78 C +ATOM 1917 CG GLN A 293 49.694 53.473 18.681 1.00 42.94 C +ATOM 1918 CD GLN A 293 50.585 52.966 19.810 1.00 45.89 C +ATOM 1919 OE1 GLN A 293 51.701 52.481 19.587 1.00 48.16 O +ATOM 1920 NE2 GLN A 293 50.085 53.064 21.026 1.00 47.95 N +ATOM 1921 N LYS A 294 50.957 53.197 14.252 1.00 40.09 N +ATOM 1922 CA LYS A 294 51.671 53.620 13.063 1.00 40.64 C +ATOM 1923 C LYS A 294 50.639 54.238 12.121 1.00 39.72 C +ATOM 1924 O LYS A 294 50.843 55.305 11.630 1.00 39.89 O +ATOM 1925 CB LYS A 294 52.442 52.463 12.395 1.00 40.88 C +ATOM 1926 CG LYS A 294 53.308 52.915 11.202 1.00 42.66 C +ATOM 1927 CD LYS A 294 54.199 51.794 10.560 1.00 43.02 C +ATOM 1928 CE LYS A 294 53.388 50.634 9.943 1.00 45.71 C +ATOM 1929 NZ LYS A 294 54.043 50.009 8.709 1.00 45.97 N +ATOM 1930 N TYR A 295 49.505 53.590 11.918 1.00 39.21 N +ATOM 1931 CA TYR A 295 48.513 54.076 10.962 1.00 38.73 C +ATOM 1932 C TYR A 295 47.617 55.216 11.455 1.00 37.83 C +ATOM 1933 O TYR A 295 47.256 56.063 10.674 1.00 38.06 O +ATOM 1934 CB TYR A 295 47.686 52.899 10.399 1.00 39.43 C +ATOM 1935 CG TYR A 295 48.487 52.122 9.376 1.00 40.37 C +ATOM 1936 CD1 TYR A 295 48.473 52.507 8.027 1.00 41.74 C +ATOM 1937 CD2 TYR A 295 49.280 51.044 9.748 1.00 39.44 C +ATOM 1938 CE1 TYR A 295 49.181 51.827 7.085 1.00 42.02 C +ATOM 1939 CE2 TYR A 295 49.993 50.344 8.809 1.00 41.33 C +ATOM 1940 CZ TYR A 295 49.961 50.747 7.474 1.00 42.28 C +ATOM 1941 OH TYR A 295 50.699 50.096 6.506 1.00 40.81 O +ATOM 1942 N VAL A 296 47.221 55.223 12.719 1.00 37.22 N +ATOM 1943 CA VAL A 296 46.555 56.391 13.308 1.00 36.23 C +ATOM 1944 C VAL A 296 47.466 57.633 13.171 1.00 36.45 C +ATOM 1945 O VAL A 296 46.995 58.687 12.789 1.00 37.27 O +ATOM 1946 CB VAL A 296 46.106 56.112 14.800 1.00 36.09 C +ATOM 1947 CG1 VAL A 296 45.799 57.427 15.557 1.00 34.47 C +ATOM 1948 CG2 VAL A 296 44.952 55.118 14.832 1.00 32.23 C +ATOM 1949 N LYS A 297 48.766 57.498 13.418 1.00 36.45 N +ATOM 1950 CA LYS A 297 49.715 58.633 13.294 1.00 36.27 C +ATOM 1951 C LYS A 297 49.909 59.068 11.850 1.00 36.23 C +ATOM 1952 O LYS A 297 49.811 60.233 11.561 1.00 36.24 O +ATOM 1953 CB LYS A 297 51.076 58.328 13.980 1.00 36.35 C +ATOM 1954 CG LYS A 297 52.263 59.347 13.753 1.00 36.95 C +ATOM 1955 CD LYS A 297 53.444 59.212 14.770 1.00 37.14 C +ATOM 1956 N LYS A 298 50.160 58.143 10.936 1.00 36.35 N +ATOM 1957 CA LYS A 298 50.631 58.512 9.609 1.00 36.53 C +ATOM 1958 C LYS A 298 49.480 58.997 8.758 1.00 35.95 C +ATOM 1959 O LYS A 298 49.711 59.769 7.842 1.00 34.98 O +ATOM 1960 CB LYS A 298 51.323 57.324 8.888 1.00 37.39 C +ATOM 1961 CG LYS A 298 52.502 56.633 9.695 1.00 39.79 C +ATOM 1962 CD LYS A 298 53.943 57.118 9.381 1.00 38.71 C +ATOM 1963 CE LYS A 298 54.494 58.070 10.424 1.00 39.98 C +ATOM 1964 NZ LYS A 298 55.653 58.889 9.870 1.00 41.85 N +ATOM 1965 N ARG A 299 48.254 58.530 9.062 1.00 35.60 N +ATOM 1966 CA ARG A 299 47.030 58.888 8.298 1.00 35.54 C +ATOM 1967 C ARG A 299 46.045 59.849 9.019 1.00 35.96 C +ATOM 1968 O ARG A 299 44.962 60.146 8.495 1.00 36.32 O +ATOM 1969 CB ARG A 299 46.269 57.638 7.868 1.00 34.98 C +ATOM 1970 CG ARG A 299 47.098 56.627 7.168 1.00 34.04 C +ATOM 1971 CD ARG A 299 46.359 55.995 6.047 1.00 34.81 C +ATOM 1972 NE ARG A 299 45.183 55.302 6.509 1.00 37.17 N +ATOM 1973 CZ ARG A 299 43.939 55.460 6.061 1.00 37.11 C +ATOM 1974 NH1 ARG A 299 43.650 56.294 5.131 1.00 37.70 N +ATOM 1975 NH2 ARG A 299 42.958 54.748 6.562 1.00 39.65 N +ATOM 1976 N GLY A 300 46.434 60.335 10.193 1.00 36.12 N +ATOM 1977 CA GLY A 300 45.587 61.192 11.009 1.00 36.60 C +ATOM 1978 C GLY A 300 44.228 60.602 11.340 1.00 37.35 C +ATOM 1979 O GLY A 300 43.240 61.321 11.343 1.00 38.29 O +ATOM 1980 N LEU A 301 44.156 59.300 11.600 1.00 37.51 N +ATOM 1981 CA LEU A 301 42.857 58.647 11.906 1.00 37.20 C +ATOM 1982 C LEU A 301 42.415 58.872 13.330 1.00 37.59 C +ATOM 1983 O LEU A 301 43.214 59.162 14.219 1.00 37.77 O +ATOM 1984 CB LEU A 301 42.932 57.143 11.731 1.00 36.67 C +ATOM 1985 CG LEU A 301 43.402 56.595 10.408 1.00 35.32 C +ATOM 1986 CD1 LEU A 301 43.330 55.017 10.494 1.00 35.14 C +ATOM 1987 CD2 LEU A 301 42.559 57.216 9.281 1.00 30.94 C +ATOM 1988 N SER A 302 41.127 58.669 13.559 1.00 38.63 N +ATOM 1989 CA SER A 302 40.618 58.579 14.905 1.00 39.16 C +ATOM 1990 C SER A 302 40.425 57.139 15.289 1.00 38.91 C +ATOM 1991 O SER A 302 40.037 56.308 14.472 1.00 39.23 O +ATOM 1992 CB SER A 302 39.260 59.240 15.000 1.00 39.86 C +ATOM 1993 OG SER A 302 39.328 60.627 14.766 1.00 42.49 O +ATOM 1994 N TRP A 303 40.612 56.887 16.570 1.00 38.77 N +ATOM 1995 CA TRP A 303 40.216 55.663 17.169 1.00 38.91 C +ATOM 1996 C TRP A 303 38.695 55.537 17.312 1.00 40.41 C +ATOM 1997 O TRP A 303 38.064 56.363 17.949 1.00 40.90 O +ATOM 1998 CB TRP A 303 40.830 55.573 18.542 1.00 38.23 C +ATOM 1999 CG TRP A 303 42.291 55.657 18.595 1.00 37.28 C +ATOM 2000 CD1 TRP A 303 43.026 56.754 18.868 1.00 37.69 C +ATOM 2001 CD2 TRP A 303 43.223 54.582 18.405 1.00 38.15 C +ATOM 2002 NE1 TRP A 303 44.376 56.445 18.855 1.00 37.44 N +ATOM 2003 CE2 TRP A 303 44.515 55.110 18.586 1.00 38.51 C +ATOM 2004 CE3 TRP A 303 43.093 53.224 18.092 1.00 38.25 C +ATOM 2005 CZ2 TRP A 303 45.658 54.329 18.470 1.00 38.32 C +ATOM 2006 CZ3 TRP A 303 44.235 52.451 17.981 1.00 36.88 C +ATOM 2007 CH2 TRP A 303 45.486 53.000 18.182 1.00 37.36 C +ATOM 2008 N LEU A 304 38.125 54.494 16.717 1.00 42.29 N +ATOM 2009 CA LEU A 304 36.752 54.075 16.975 1.00 43.91 C +ATOM 2010 C LEU A 304 36.721 53.514 18.385 1.00 45.30 C +ATOM 2011 O LEU A 304 37.520 52.642 18.740 1.00 45.25 O +ATOM 2012 CB LEU A 304 36.311 53.004 15.972 1.00 43.71 C +ATOM 2013 CG LEU A 304 34.818 52.724 15.870 1.00 44.66 C +ATOM 2014 CD1 LEU A 304 34.138 53.985 15.481 1.00 45.13 C +ATOM 2015 CD2 LEU A 304 34.512 51.728 14.809 1.00 44.68 C +ATOM 2016 N LYS A 305 35.855 54.081 19.211 1.00 47.35 N +ATOM 2017 CA LYS A 305 35.630 53.592 20.564 1.00 48.99 C +ATOM 2018 C LYS A 305 34.217 53.028 20.624 1.00 49.81 C +ATOM 2019 O LYS A 305 33.272 53.700 20.218 1.00 49.72 O +ATOM 2020 CB LYS A 305 35.783 54.718 21.585 1.00 49.49 C +ATOM 2021 CG LYS A 305 37.032 55.577 21.411 1.00 51.60 C +ATOM 2022 CD LYS A 305 37.272 56.449 22.637 1.00 55.77 C +ATOM 2023 CE LYS A 305 38.010 57.802 22.316 1.00 59.00 C +ATOM 2024 NZ LYS A 305 39.438 57.735 21.749 1.00 59.98 N +ATOM 2025 N ILE A 306 34.085 51.788 21.091 1.00 50.93 N +ATOM 2026 CA ILE A 306 32.781 51.143 21.257 1.00 51.97 C +ATOM 2027 C ILE A 306 32.350 51.123 22.757 1.00 52.66 C +ATOM 2028 O ILE A 306 33.113 50.787 23.656 1.00 53.71 O +ATOM 2029 CB ILE A 306 32.817 49.706 20.701 1.00 52.34 C +ATOM 2030 CG1 ILE A 306 33.134 49.733 19.210 1.00 51.37 C +ATOM 2031 CG2 ILE A 306 31.491 48.973 20.995 1.00 52.07 C +ATOM 2032 CD1 ILE A 306 33.389 48.349 18.674 1.00 52.60 C +ATOM 2033 OXT ILE A 306 31.247 51.470 23.175 1.00 53.02 O +TER 2034 ILE A 306 +HETATM 2035 FE FE A 307 33.730 34.462 14.491 1.00 32.91 FE +HETATM 2036 FE FE A 308 37.016 35.690 13.465 1.00 30.65 FE +HETATM 2037 AS CAC A 309 36.019 32.496 12.646 1.00 52.94 AS +HETATM 2038 O1 CAC A 309 34.341 32.699 13.090 1.00 50.92 O +HETATM 2039 O2 CAC A 309 36.876 33.978 12.325 1.00 50.24 O +HETATM 2040 C1 CAC A 309 37.074 31.652 14.104 1.00 51.37 C +HETATM 2041 C2 CAC A 309 35.938 31.382 11.008 1.00 52.85 C +HETATM 2042 C1 EDO A 310 29.814 34.788 4.276 1.00 37.51 C +HETATM 2043 O1 EDO A 310 30.801 35.795 4.340 1.00 31.12 O +HETATM 2044 C2 EDO A 310 30.508 33.428 4.223 1.00 40.10 C +HETATM 2045 O2 EDO A 310 29.505 32.439 3.970 1.00 41.04 O +HETATM 2046 C1 EDO A 311 51.539 54.419 5.527 1.00 52.10 C +HETATM 2047 O1 EDO A 311 52.338 55.240 6.374 1.00 50.68 O +HETATM 2048 C2 EDO A 311 50.278 55.178 5.086 1.00 51.92 C +HETATM 2049 O2 EDO A 311 49.476 54.372 4.190 1.00 51.49 O +HETATM 2050 O HOH A 312 33.174 35.114 -4.058 1.00 20.00 O +HETATM 2051 O HOH A 313 39.978 51.678 18.320 1.00 22.48 O +HETATM 2052 O HOH A 314 38.686 36.436 -0.616 1.00 23.40 O +HETATM 2053 O HOH A 315 37.547 33.184 -3.262 1.00 23.50 O +HETATM 2054 O HOH A 316 35.665 35.882 4.234 1.00 25.05 O +HETATM 2055 O HOH A 317 27.122 44.567 -2.935 1.00 25.68 O +HETATM 2056 O HOH A 318 44.057 53.037 21.801 1.00 26.47 O +HETATM 2057 O HOH A 319 15.002 41.982 3.382 1.00 27.45 O +HETATM 2058 O HOH A 320 35.142 33.743 -2.695 1.00 28.53 O +HETATM 2059 O HOH A 321 32.669 52.643 2.796 1.00 28.78 O +HETATM 2060 O HOH A 322 29.675 43.832 23.052 1.00 28.87 O +HETATM 2061 O HOH A 323 33.689 32.735 16.220 1.00 29.26 O +HETATM 2062 O HOH A 324 32.295 45.606 29.617 1.00 29.27 O +HETATM 2063 O HOH A 325 36.354 35.637 -0.868 1.00 29.38 O +HETATM 2064 O HOH A 326 39.256 58.880 11.435 1.00 30.79 O +HETATM 2065 O HOH A 327 17.677 35.026 -5.818 1.00 30.86 O +HETATM 2066 O HOH A 328 34.155 32.905 24.320 1.00 31.11 O +HETATM 2067 O HOH A 329 37.355 28.546 2.487 1.00 31.35 O +HETATM 2068 O HOH A 330 47.837 31.242 40.818 1.00 31.86 O +HETATM 2069 O HOH A 331 25.986 31.819 13.741 1.00 32.22 O +HETATM 2070 O HOH A 332 24.129 50.943 18.291 1.00 32.41 O +HETATM 2071 O HOH A 333 42.221 42.154 35.674 1.00 32.51 O +HETATM 2072 O HOH A 334 35.350 34.684 14.883 1.00 32.57 O +HETATM 2073 O HOH A 335 46.798 45.380 30.095 1.00 32.71 O +HETATM 2074 O HOH A 336 35.689 27.411 -6.471 1.00 32.91 O +HETATM 2075 O HOH A 337 20.382 36.541 -7.187 1.00 32.98 O +HETATM 2076 O HOH A 338 48.950 42.194 1.362 1.00 33.17 O +HETATM 2077 O HOH A 339 36.736 31.760 33.937 1.00 33.99 O +HETATM 2078 O HOH A 340 29.184 45.779 -3.001 1.00 34.43 O +HETATM 2079 O HOH A 341 25.287 34.093 19.846 1.00 34.45 O +HETATM 2080 O HOH A 342 34.946 47.893 32.541 1.00 34.80 O +HETATM 2081 O HOH A 343 36.523 34.230 22.894 1.00 34.96 O +HETATM 2082 O HOH A 344 33.836 45.684 31.690 1.00 34.97 O +HETATM 2083 O HOH A 345 42.388 51.565 26.335 1.00 35.03 O +HETATM 2084 O HOH A 346 31.528 43.078 36.183 1.00 35.09 O +HETATM 2085 O HOH A 347 39.746 49.825 25.553 1.00 35.37 O +HETATM 2086 O HOH A 348 36.388 52.515 8.148 1.00 35.39 O +HETATM 2087 O HOH A 349 21.480 42.020 32.942 1.00 35.77 O +HETATM 2088 O HOH A 350 37.037 53.946 4.233 1.00 35.87 O +HETATM 2089 O HOH A 351 27.277 52.078 3.043 1.00 36.04 O +HETATM 2090 O HOH A 352 34.149 56.730 9.739 1.00 36.08 O +HETATM 2091 O HOH A 353 33.537 34.604 20.707 1.00 36.09 O +HETATM 2092 O HOH A 354 29.251 34.954 8.390 1.00 36.12 O +HETATM 2093 O HOH A 355 27.767 47.073 15.217 1.00 36.14 O +HETATM 2094 O HOH A 356 34.403 56.556 18.458 1.00 36.34 O +HETATM 2095 O HOH A 357 53.955 52.219 16.041 1.00 37.84 O +HETATM 2096 O HOH A 358 19.382 31.312 16.081 1.00 37.94 O +HETATM 2097 O HOH A 359 29.887 34.073 -7.660 1.00 38.02 O +HETATM 2098 O HOH A 360 28.614 30.732 -3.134 1.00 38.34 O +HETATM 2099 O HOH A 361 53.895 55.523 15.259 1.00 38.45 O +HETATM 2100 O HOH A 362 35.790 50.409 -0.608 1.00 38.50 O +HETATM 2101 O HOH A 363 41.085 35.423 12.574 1.00 38.57 O +HETATM 2102 O HOH A 364 48.564 49.622 0.236 1.00 38.75 O +HETATM 2103 O HOH A 365 41.184 59.492 18.193 1.00 38.88 O +HETATM 2104 O HOH A 366 41.398 49.209 33.613 1.00 39.24 O +HETATM 2105 O HOH A 367 20.734 32.325 -8.984 1.00 39.39 O +HETATM 2106 O HOH A 368 14.299 36.162 0.409 1.00 39.70 O +HETATM 2107 O HOH A 369 50.170 47.444 23.599 1.00 39.84 O +HETATM 2108 O HOH A 370 39.683 33.149 11.794 1.00 39.84 O +HETATM 2109 O HOH A 371 47.608 47.496 23.181 1.00 40.00 O +HETATM 2110 O HOH A 372 13.041 33.920 3.698 1.00 40.10 O +HETATM 2111 O HOH A 373 37.575 34.890 18.525 1.00 40.69 O +HETATM 2112 O HOH A 374 44.152 30.223 34.289 1.00 40.82 O +HETATM 2113 O HOH A 375 39.350 38.904 -7.606 1.00 40.97 O +HETATM 2114 O HOH A 376 42.470 29.049 36.053 1.00 41.06 O +HETATM 2115 O HOH A 377 47.458 52.477 24.304 1.00 41.28 O +HETATM 2116 O HOH A 378 43.793 50.368 -3.819 1.00 41.37 O +HETATM 2117 O HOH A 379 16.179 44.428 2.268 1.00 41.52 O +HETATM 2118 O HOH A 380 17.451 33.620 28.440 1.00 41.58 O +HETATM 2119 O HOH A 381 36.620 29.188 27.843 1.00 41.67 O +HETATM 2120 O HOH A 382 33.631 26.892 37.372 1.00 41.95 O +HETATM 2121 O HOH A 383 21.137 42.479 -3.339 1.00 42.10 O +HETATM 2122 O HOH A 384 27.364 37.194 36.174 1.00 42.12 O +HETATM 2123 O HOH A 385 49.006 44.518 34.322 1.00 42.37 O +HETATM 2124 O HOH A 386 29.005 31.533 -9.032 1.00 42.42 O +HETATM 2125 O HOH A 387 49.058 39.043 33.722 1.00 42.52 O +HETATM 2126 O HOH A 388 46.123 54.070 22.436 1.00 42.55 O +HETATM 2127 O HOH A 389 33.381 39.987 40.572 1.00 42.73 O +HETATM 2128 O HOH A 390 50.489 36.591 33.621 1.00 42.81 O +HETATM 2129 O HOH A 391 26.379 24.372 -6.634 1.00 42.96 O +HETATM 2130 O HOH A 392 37.859 50.869 31.731 1.00 43.23 O +HETATM 2131 O HOH A 393 18.036 29.934 14.083 1.00 43.24 O +HETATM 2132 O HOH A 394 23.600 34.957 34.652 1.00 43.28 O +HETATM 2133 O HOH A 395 12.832 41.858 1.795 1.00 43.79 O +HETATM 2134 O HOH A 396 42.854 34.158 23.313 1.00 43.85 O +HETATM 2135 O HOH A 397 30.184 36.463 39.576 1.00 44.42 O +HETATM 2136 O HOH A 398 17.387 31.679 1.473 1.00 44.43 O +HETATM 2137 O HOH A 399 48.205 62.562 12.822 1.00 44.56 O +HETATM 2138 O HOH A 400 55.257 49.255 6.049 1.00 44.73 O +HETATM 2139 O HOH A 401 19.495 31.356 -2.752 1.00 44.90 O +HETATM 2140 O HOH A 402 34.385 26.041 -4.905 1.00 45.16 O +HETATM 2141 O HOH A 403 16.882 47.335 12.103 1.00 45.52 O +HETATM 2142 O HOH A 404 47.080 44.302 -5.427 1.00 45.62 O +HETATM 2143 O HOH A 405 49.895 47.606 -1.308 1.00 45.80 O +HETATM 2144 O HOH A 406 35.651 31.840 26.652 1.00 46.07 O +HETATM 2145 O HOH A 407 32.354 28.096 29.493 1.00 46.11 O +HETATM 2146 O HOH A 408 51.233 53.135 24.178 1.00 46.41 O +HETATM 2147 O HOH A 409 43.298 62.664 14.756 1.00 46.75 O +HETATM 2148 O HOH A 410 14.367 48.905 19.119 1.00 46.93 O +HETATM 2149 O HOH A 411 38.377 58.994 19.261 1.00 47.03 O +HETATM 2150 O HOH A 412 19.079 34.950 -7.973 1.00 47.16 O +HETATM 2151 O HOH A 413 28.274 26.005 39.431 1.00 47.36 O +HETATM 2152 O HOH A 414 49.701 56.718 17.458 1.00 47.54 O +HETATM 2153 O HOH A 415 14.812 39.763 27.024 1.00 47.81 O +HETATM 2154 O HOH A 416 48.233 53.688 33.838 1.00 48.35 O +HETATM 2155 O HOH A 417 41.293 51.903 -2.192 1.00 48.46 O +HETATM 2156 O HOH A 418 32.572 26.200 34.508 1.00 48.50 O +HETATM 2157 O HOH A 419 12.596 41.849 17.173 1.00 48.77 O +HETATM 2158 O HOH A 420 12.541 33.876 13.548 1.00 49.21 O +HETATM 2159 O HOH A 421 44.063 60.215 17.289 1.00 49.45 O +HETATM 2160 O HOH A 422 22.043 46.027 -1.715 1.00 49.68 O +HETATM 2161 O HOH A 423 49.424 39.339 40.019 1.00 49.84 O +HETATM 2162 O HOH A 424 23.005 39.122 33.180 1.00 51.16 O +HETATM 2163 O HOH A 425 50.097 42.018 34.302 1.00 51.39 O +HETATM 2164 O HOH A 426 45.329 60.767 14.634 1.00 51.41 O +HETATM 2165 O HOH A 427 38.604 51.848 28.932 1.00 51.80 O +HETATM 2166 O HOH A 428 12.405 45.508 22.255 1.00 51.87 O +HETATM 2167 O HOH A 429 35.623 32.704 17.360 1.00 51.90 O +HETATM 2168 O HOH A 430 47.765 57.527 19.216 1.00 52.20 O +HETATM 2169 O HOH A 431 12.208 47.582 19.941 1.00 52.22 O +HETATM 2170 O HOH A 432 12.694 31.433 20.433 1.00 52.40 O +HETATM 2171 O HOH A 433 30.116 30.171 14.225 1.00 52.72 O +HETATM 2172 O HOH A 434 38.860 51.755 -1.399 1.00 56.91 O +CONECT 3 5 +CONECT 5 3 6 +CONECT 6 5 7 9 +CONECT 7 6 8 13 +CONECT 8 7 +CONECT 9 6 10 +CONECT 10 9 11 +CONECT 11 10 12 +CONECT 12 11 +CONECT 13 7 +CONECT 217 226 227 +CONECT 226 217 228 +CONECT 227 217 229 +CONECT 228 226 230 234 +CONECT 229 227 231 235 +CONECT 230 228 232 242 +CONECT 231 229 233 242 +CONECT 232 230 +CONECT 233 231 +CONECT 234 228 236 +CONECT 235 229 237 +CONECT 236 234 238 +CONECT 237 235 239 +CONECT 238 236 240 +CONECT 239 237 241 +CONECT 240 238 +CONECT 241 239 +CONECT 242 230 231 +CONECT 312 317 +CONECT 317 312 318 +CONECT 318 317 319 321 +CONECT 319 318 320 325 +CONECT 320 319 +CONECT 321 318 322 +CONECT 322 321 323 +CONECT 323 322 324 +CONECT 324 323 +CONECT 325 319 +CONECT 495 2035 +CONECT 638 641 +CONECT 641 638 642 +CONECT 642 641 643 645 +CONECT 643 642 644 649 +CONECT 644 643 +CONECT 645 642 646 +CONECT 646 645 647 +CONECT 647 646 648 +CONECT 648 647 +CONECT 649 643 +CONECT 750 2035 +CONECT 788 793 794 +CONECT 793 788 795 +CONECT 794 788 796 +CONECT 795 793 797 801 +CONECT 796 794 798 802 +CONECT 797 795 799 809 +CONECT 798 796 800 809 +CONECT 799 797 +CONECT 800 798 +CONECT 801 795 803 +CONECT 802 796 804 +CONECT 803 801 805 +CONECT 804 802 806 +CONECT 805 803 807 +CONECT 806 804 808 +CONECT 807 805 +CONECT 808 806 +CONECT 809 797 798 +CONECT 1035 2035 +CONECT 1036 2036 +CONECT 1117 1122 +CONECT 1122 1117 1123 +CONECT 1123 1122 1124 1126 +CONECT 1124 1123 1125 1130 +CONECT 1125 1124 +CONECT 1126 1123 1127 +CONECT 1127 1126 1128 +CONECT 1128 1127 1129 +CONECT 1129 1128 +CONECT 1130 1124 +CONECT 1292 2036 +CONECT 1557 2036 +CONECT 1700 1708 +CONECT 1708 1700 1709 +CONECT 1709 1708 1710 1712 +CONECT 1710 1709 1711 1716 +CONECT 1711 1710 +CONECT 1712 1709 1713 +CONECT 1713 1712 1714 +CONECT 1714 1713 1715 +CONECT 1715 1714 +CONECT 1716 1710 +CONECT 1760 2036 +CONECT 2035 495 750 1035 2038 +CONECT 2035 2061 +CONECT 2036 1036 1292 1557 1760 +CONECT 2036 2039 2072 +CONECT 2037 2038 2039 2040 2041 +CONECT 2038 2035 2037 +CONECT 2039 2036 2037 +CONECT 2040 2037 +CONECT 2041 2037 +CONECT 2042 2043 2044 +CONECT 2043 2042 +CONECT 2044 2042 2045 +CONECT 2045 2044 +CONECT 2046 2047 2048 +CONECT 2047 2046 +CONECT 2048 2046 2049 +CONECT 2049 2048 +CONECT 2061 2035 +CONECT 2072 2036 +MASTER 455 0 12 12 8 0 9 6 2124 1 112 24 +END diff --git a/tests/structure/data/8crb.pdb b/tests/structure/data/8crb.pdb new file mode 100644 index 000000000..a262757f8 --- /dev/null +++ b/tests/structure/data/8crb.pdb @@ -0,0 +1,9696 @@ +HEADER ANTIMICROBIAL PROTEIN 08-MAR-23 8CRB +TITLE CRYO-EM STRUCTURE OF PCRV/FAB(11-E5) +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HEAVY CHAIN; +COMPND 3 CHAIN: A; +COMPND 4 MOL_ID: 2; +COMPND 5 MOLECULE: LIGHT CHAIN; +COMPND 6 CHAIN: B; +COMPND 7 MOL_ID: 3; +COMPND 8 MOLECULE: MALTOSE/MALTODEXTRIN-BINDING PERIPLASMIC PROTEIN,TYPE III +COMPND 9 SECRETION PROTEIN PCRV; +COMPND 10 CHAIN: C; +COMPND 11 SYNONYM: MMBP,MALTODEXTRIN-BINDING PROTEIN,MALTOSE-BINDING PROTEIN, +COMPND 12 MBP; +COMPND 13 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_TAXID: 9606; +SOURCE 4 MOL_ID: 2; +SOURCE 5 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 6 ORGANISM_TAXID: 9606; +SOURCE 7 MOL_ID: 3; +SOURCE 8 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; +SOURCE 9 ORGANISM_TAXID: 287; +SOURCE 10 GENE: MALE, B4034, JW3994, PCRV, PA1706; +SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562 +KEYWDS ANTIBODY T3SS TIP PROTEIN, ANTIMICROBIAL PROTEIN +EXPDTA ELECTRON MICROSCOPY +AUTHOR B.YUAN,A.SIMONIS,T.C.MARLOVITS +REVDAT 1 22-NOV-23 8CRB 0 +JRNL AUTH A.SIMONIS,C.KREER,A.ALBUS,K.ROX,B.YUAN,D.HOLZMANN,J.A.WILMS, +JRNL AUTH 2 S.ZUBER,L.KOTTEGE,S.WINTER,M.MEYER,K.SCHMITT,H.GRUELL, +JRNL AUTH 3 S.J.THEOBALD,A.M.HELLMANN,C.MEYER,M.S.ERCANOGLU,N.CRAMER, +JRNL AUTH 4 A.MUNDER,M.HALLEK,G.FATKENHEUER,M.KOCH,H.SEIFERT, +JRNL AUTH 5 E.RIETSCHEL,T.C.MARLOVITS,S.VAN KONINGSBRUGGEN-RIETSCHEL, +JRNL AUTH 6 F.KLEIN,J.RYBNIKER +JRNL TITL DISCOVERY OF HIGHLY NEUTRALIZING HUMAN ANTIBODIES TARGETING +JRNL TITL 2 PSEUDOMONAS AERUGINOSA. +JRNL REF CELL V. 186 5098 2023 +JRNL REFN ISSN 1097-4172 +JRNL PMID 37918395 +JRNL DOI 10.1016/J.CELL.2023.10.002 +REMARK 2 +REMARK 2 RESOLUTION. 4.60 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 SOFTWARE PACKAGES : NULL +REMARK 3 RECONSTRUCTION SCHEMA : NULL +REMARK 3 +REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT +REMARK 3 PDB ENTRY : NULL +REMARK 3 REFINEMENT SPACE : NULL +REMARK 3 REFINEMENT PROTOCOL : NULL +REMARK 3 REFINEMENT TARGET : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL +REMARK 3 +REMARK 3 FITTING PROCEDURE : NULL +REMARK 3 +REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS +REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL +REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL +REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 4.600 +REMARK 3 NUMBER OF PARTICLES : 99625 +REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE +REMARK 3 CORRECTION +REMARK 3 +REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL +REMARK 3 +REMARK 3 OTHER DETAILS: NULL +REMARK 4 +REMARK 4 8CRB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-MAR-23. +REMARK 100 THE DEPOSITION ID IS D_1292129063. +REMARK 245 +REMARK 245 EXPERIMENTAL DETAILS +REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE +REMARK 245 SPECIMEN TYPE : NULL +REMARK 245 +REMARK 245 ELECTRON MICROSCOPE SAMPLE +REMARK 245 SAMPLE TYPE : PARTICLE +REMARK 245 PARTICLE TYPE : POINT +REMARK 245 NAME OF SAMPLE : PCRV-FAB(11-E5) +REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 0.33 +REMARK 245 SAMPLE SUPPORT DETAILS : NULL +REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL +REMARK 245 SAMPLE BUFFER : NULL +REMARK 245 PH : 7.40 +REMARK 245 SAMPLE DETAILS : NULL +REMARK 245 +REMARK 245 DATA ACQUISITION +REMARK 245 DATE OF EXPERIMENT : NULL +REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL +REMARK 245 TEMPERATURE (KELVIN) : NULL +REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS +REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) +REMARK 245 MINIMUM DEFOCUS (NM) : 1000.00 +REMARK 245 MAXIMUM DEFOCUS (NM) : 2500.00 +REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL +REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL +REMARK 245 NOMINAL CS : NULL +REMARK 245 IMAGING MODE : BRIGHT FIELD +REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 124.00 +REMARK 245 ILLUMINATION MODE : FLOOD BEAM +REMARK 245 NOMINAL MAGNIFICATION : NULL +REMARK 245 CALIBRATED MAGNIFICATION : NULL +REMARK 245 SOURCE : FIELD EMISSION GUN +REMARK 245 ACCELERATION VOLTAGE (KV) : 300 +REMARK 245 IMAGING DETAILS : NULL +REMARK 247 +REMARK 247 ELECTRON MICROSCOPY +REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON +REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE +REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES +REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION +REMARK 247 OF THE STRUCTURE FACTORS. +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET C -397 +REMARK 465 GLY C -396 +REMARK 465 SER C -395 +REMARK 465 TRP C -394 +REMARK 465 SER C -393 +REMARK 465 HIS C -392 +REMARK 465 PRO C -391 +REMARK 465 GLN C -390 +REMARK 465 PHE C -389 +REMARK 465 GLU C -388 +REMARK 465 LYS C -387 +REMARK 465 GLY C -386 +REMARK 465 GLY C -385 +REMARK 465 GLY C -384 +REMARK 465 SER C -383 +REMARK 465 GLY C -382 +REMARK 465 GLY C -381 +REMARK 465 GLY C -380 +REMARK 465 SER C -379 +REMARK 465 GLY C -378 +REMARK 465 GLY C -377 +REMARK 465 GLY C -376 +REMARK 465 SER C -375 +REMARK 465 TRP C -374 +REMARK 465 SER C -373 +REMARK 465 HIS C -372 +REMARK 465 PRO C -371 +REMARK 465 GLN C -370 +REMARK 465 PHE C -369 +REMARK 465 GLU C -368 +REMARK 465 LYS C -367 +REMARK 465 SER C -366 +REMARK 465 GLY C -365 +REMARK 465 LEU C -364 +REMARK 465 VAL C -363 +REMARK 465 PRO C -362 +REMARK 465 ARG C -361 +REMARK 465 GLY C -360 +REMARK 465 SER C -359 +REMARK 465 ALA C -358 +REMARK 465 SER C -357 +REMARK 465 LYS C -356 +REMARK 465 THR C -355 +REMARK 465 GLU C -354 +REMARK 465 GLU C -353 +REMARK 465 GLY C -352 +REMARK 465 LYS C -351 +REMARK 465 LEU C -350 +REMARK 465 VAL C -349 +REMARK 465 ILE C -348 +REMARK 465 TRP C -347 +REMARK 465 ILE C -346 +REMARK 465 ASN C -345 +REMARK 465 GLY C -344 +REMARK 465 ASP C -343 +REMARK 465 LYS C -342 +REMARK 465 GLY C -341 +REMARK 465 TYR C -340 +REMARK 465 ASN C -339 +REMARK 465 GLY C -338 +REMARK 465 LEU C -337 +REMARK 465 ALA C -336 +REMARK 465 GLU C -335 +REMARK 465 VAL C -334 +REMARK 465 GLY C -333 +REMARK 465 LYS C -332 +REMARK 465 LYS C -331 +REMARK 465 PHE C -330 +REMARK 465 GLU C -329 +REMARK 465 LYS C -328 +REMARK 465 ASP C -327 +REMARK 465 THR C -326 +REMARK 465 GLY C -325 +REMARK 465 ILE C -324 +REMARK 465 LYS C -323 +REMARK 465 VAL C -322 +REMARK 465 THR C -321 +REMARK 465 VAL C -320 +REMARK 465 GLU C -319 +REMARK 465 HIS C -318 +REMARK 465 PRO C -317 +REMARK 465 ASP C -316 +REMARK 465 LYS C -315 +REMARK 465 LEU C -314 +REMARK 465 GLU C -313 +REMARK 465 GLU C -312 +REMARK 465 LYS C -311 +REMARK 465 PHE C -310 +REMARK 465 PRO C -309 +REMARK 465 GLN C -308 +REMARK 465 VAL C -307 +REMARK 465 ALA C -306 +REMARK 465 ALA C -305 +REMARK 465 THR C -304 +REMARK 465 GLY C -303 +REMARK 465 ASP C -302 +REMARK 465 GLY C -301 +REMARK 465 PRO C -300 +REMARK 465 ASP C -299 +REMARK 465 ILE C -298 +REMARK 465 ILE C -297 +REMARK 465 PHE C -296 +REMARK 465 TRP C -295 +REMARK 465 ALA C -294 +REMARK 465 HIS C -293 +REMARK 465 ASP C -292 +REMARK 465 ARG C -291 +REMARK 465 PHE C -290 +REMARK 465 GLY C -289 +REMARK 465 GLY C -288 +REMARK 465 TYR C -287 +REMARK 465 ALA C -286 +REMARK 465 GLN C -285 +REMARK 465 SER C -284 +REMARK 465 GLY C -283 +REMARK 465 LEU C -282 +REMARK 465 LEU C -281 +REMARK 465 ALA C -280 +REMARK 465 GLU C -279 +REMARK 465 ILE C -278 +REMARK 465 THR C -277 +REMARK 465 PRO C -276 +REMARK 465 ALA C -275 +REMARK 465 ALA C -274 +REMARK 465 ALA C -273 +REMARK 465 PHE C -272 +REMARK 465 GLN C -271 +REMARK 465 ASP C -270 +REMARK 465 LYS C -269 +REMARK 465 LEU C -268 +REMARK 465 TYR C -267 +REMARK 465 PRO C -266 +REMARK 465 PHE C -265 +REMARK 465 THR C -264 +REMARK 465 TRP C -263 +REMARK 465 ASP C -262 +REMARK 465 ALA C -261 +REMARK 465 VAL C -260 +REMARK 465 ARG C -259 +REMARK 465 TYR C -258 +REMARK 465 ASN C -257 +REMARK 465 GLY C -256 +REMARK 465 LYS C -255 +REMARK 465 LEU C -254 +REMARK 465 ILE C -253 +REMARK 465 ALA C -252 +REMARK 465 TYR C -251 +REMARK 465 PRO C -250 +REMARK 465 ILE C -249 +REMARK 465 ALA C -248 +REMARK 465 VAL C -247 +REMARK 465 GLU C -246 +REMARK 465 ALA C -245 +REMARK 465 LEU C -244 +REMARK 465 SER C -243 +REMARK 465 LEU C -242 +REMARK 465 ILE C -241 +REMARK 465 TYR C -240 +REMARK 465 ASN C -239 +REMARK 465 LYS C -238 +REMARK 465 ASP C -237 +REMARK 465 LEU C -236 +REMARK 465 LEU C -235 +REMARK 465 PRO C -234 +REMARK 465 ASN C -233 +REMARK 465 PRO C -232 +REMARK 465 PRO C -231 +REMARK 465 LYS C -230 +REMARK 465 THR C -229 +REMARK 465 TRP C -228 +REMARK 465 GLU C -227 +REMARK 465 GLU C -226 +REMARK 465 ILE C -225 +REMARK 465 PRO C -224 +REMARK 465 ALA C -223 +REMARK 465 LEU C -222 +REMARK 465 ASP C -221 +REMARK 465 LYS C -220 +REMARK 465 GLU C -219 +REMARK 465 LEU C -218 +REMARK 465 LYS C -217 +REMARK 465 ALA C -216 +REMARK 465 LYS C -215 +REMARK 465 GLY C -214 +REMARK 465 LYS C -213 +REMARK 465 SER C -212 +REMARK 465 ALA C -211 +REMARK 465 LEU C -210 +REMARK 465 MET C -209 +REMARK 465 PHE C -208 +REMARK 465 ASN C -207 +REMARK 465 LEU C -206 +REMARK 465 GLN C -205 +REMARK 465 GLU C -204 +REMARK 465 PRO C -203 +REMARK 465 TYR C -202 +REMARK 465 PHE C -201 +REMARK 465 THR C -200 +REMARK 465 TRP C -199 +REMARK 465 PRO C -198 +REMARK 465 LEU C -197 +REMARK 465 ILE C -196 +REMARK 465 ALA C -195 +REMARK 465 ALA C -194 +REMARK 465 ASP C -193 +REMARK 465 GLY C -192 +REMARK 465 GLY C -191 +REMARK 465 TYR C -190 +REMARK 465 ALA C -189 +REMARK 465 PHE C -188 +REMARK 465 LYS C -187 +REMARK 465 TYR C -186 +REMARK 465 ALA C -185 +REMARK 465 ALA C -184 +REMARK 465 GLY C -183 +REMARK 465 LYS C -182 +REMARK 465 TYR C -181 +REMARK 465 ASP C -180 +REMARK 465 ILE C -179 +REMARK 465 LYS C -178 +REMARK 465 ASP C -177 +REMARK 465 VAL C -176 +REMARK 465 GLY C -175 +REMARK 465 VAL C -174 +REMARK 465 ASP C -173 +REMARK 465 ASN C -172 +REMARK 465 ALA C -171 +REMARK 465 GLY C -170 +REMARK 465 ALA C -169 +REMARK 465 LYS C -168 +REMARK 465 ALA C -167 +REMARK 465 GLY C -166 +REMARK 465 LEU C -165 +REMARK 465 THR C -164 +REMARK 465 PHE C -163 +REMARK 465 LEU C -162 +REMARK 465 VAL C -161 +REMARK 465 ASP C -160 +REMARK 465 LEU C -159 +REMARK 465 ILE C -158 +REMARK 465 LYS C -157 +REMARK 465 ASN C -156 +REMARK 465 LYS C -155 +REMARK 465 HIS C -154 +REMARK 465 MET C -153 +REMARK 465 ASN C -152 +REMARK 465 ALA C -151 +REMARK 465 ASP C -150 +REMARK 465 THR C -149 +REMARK 465 ASP C -148 +REMARK 465 TYR C -147 +REMARK 465 SER C -146 +REMARK 465 ILE C -145 +REMARK 465 ALA C -144 +REMARK 465 GLU C -143 +REMARK 465 HIS C -142 +REMARK 465 ALA C -141 +REMARK 465 PHE C -140 +REMARK 465 ASN C -139 +REMARK 465 HIS C -138 +REMARK 465 GLY C -137 +REMARK 465 GLU C -136 +REMARK 465 THR C -135 +REMARK 465 ALA C -134 +REMARK 465 MET C -133 +REMARK 465 THR C -132 +REMARK 465 ILE C -131 +REMARK 465 ASN C -130 +REMARK 465 GLY C -129 +REMARK 465 PRO C -128 +REMARK 465 TRP C -127 +REMARK 465 ALA C -126 +REMARK 465 TRP C -125 +REMARK 465 SER C -124 +REMARK 465 ASN C -123 +REMARK 465 ILE C -122 +REMARK 465 ASP C -121 +REMARK 465 THR C -120 +REMARK 465 SER C -119 +REMARK 465 LYS C -118 +REMARK 465 VAL C -117 +REMARK 465 ASN C -116 +REMARK 465 TYR C -115 +REMARK 465 GLY C -114 +REMARK 465 VAL C -113 +REMARK 465 THR C -112 +REMARK 465 VAL C -111 +REMARK 465 LEU C -110 +REMARK 465 PRO C -109 +REMARK 465 THR C -108 +REMARK 465 PHE C -107 +REMARK 465 LYS C -106 +REMARK 465 GLY C -105 +REMARK 465 GLN C -104 +REMARK 465 PRO C -103 +REMARK 465 SER C -102 +REMARK 465 LYS C -101 +REMARK 465 PRO C -100 +REMARK 465 PHE C -99 +REMARK 465 VAL C -98 +REMARK 465 GLY C -97 +REMARK 465 VAL C -96 +REMARK 465 LEU C -95 +REMARK 465 SER C -94 +REMARK 465 ALA C -93 +REMARK 465 GLY C -92 +REMARK 465 ILE C -91 +REMARK 465 ASN C -90 +REMARK 465 ALA C -89 +REMARK 465 ALA C -88 +REMARK 465 SER C -87 +REMARK 465 PRO C -86 +REMARK 465 ASN C -85 +REMARK 465 LYS C -84 +REMARK 465 GLU C -83 +REMARK 465 LEU C -82 +REMARK 465 ALA C -81 +REMARK 465 LYS C -80 +REMARK 465 GLU C -79 +REMARK 465 PHE C -78 +REMARK 465 LEU C -77 +REMARK 465 GLU C -76 +REMARK 465 ASN C -75 +REMARK 465 TYR C -74 +REMARK 465 LEU C -73 +REMARK 465 LEU C -72 +REMARK 465 THR C -71 +REMARK 465 ASP C -70 +REMARK 465 GLU C -69 +REMARK 465 GLY C -68 +REMARK 465 LEU C -67 +REMARK 465 GLU C -66 +REMARK 465 ALA C -65 +REMARK 465 VAL C -64 +REMARK 465 ASN C -63 +REMARK 465 LYS C -62 +REMARK 465 ASP C -61 +REMARK 465 LYS C -60 +REMARK 465 PRO C -59 +REMARK 465 LEU C -58 +REMARK 465 GLY C -57 +REMARK 465 ALA C -56 +REMARK 465 VAL C -55 +REMARK 465 ALA C -54 +REMARK 465 LEU C -53 +REMARK 465 LYS C -52 +REMARK 465 SER C -51 +REMARK 465 TYR C -50 +REMARK 465 GLU C -49 +REMARK 465 GLU C -48 +REMARK 465 GLU C -47 +REMARK 465 LEU C -46 +REMARK 465 VAL C -45 +REMARK 465 LYS C -44 +REMARK 465 ASP C -43 +REMARK 465 PRO C -42 +REMARK 465 ARG C -41 +REMARK 465 VAL C -40 +REMARK 465 ALA C -39 +REMARK 465 ALA C -38 +REMARK 465 THR C -37 +REMARK 465 MET C -36 +REMARK 465 GLU C -35 +REMARK 465 ASN C -34 +REMARK 465 ALA C -33 +REMARK 465 GLN C -32 +REMARK 465 LYS C -31 +REMARK 465 GLY C -30 +REMARK 465 GLU C -29 +REMARK 465 ILE C -28 +REMARK 465 MET C -27 +REMARK 465 PRO C -26 +REMARK 465 ASN C -25 +REMARK 465 ILE C -24 +REMARK 465 PRO C -23 +REMARK 465 GLN C -22 +REMARK 465 MET C -21 +REMARK 465 SER C -20 +REMARK 465 ALA C -19 +REMARK 465 PHE C -18 +REMARK 465 TRP C -17 +REMARK 465 TYR C -16 +REMARK 465 ALA C -15 +REMARK 465 VAL C -14 +REMARK 465 ARG C -13 +REMARK 465 THR C -12 +REMARK 465 ALA C -11 +REMARK 465 VAL C -10 +REMARK 465 ILE C -9 +REMARK 465 ASN C -8 +REMARK 465 ALA C -7 +REMARK 465 ALA C -6 +REMARK 465 SER C -5 +REMARK 465 GLY C -4 +REMARK 465 ARG C -3 +REMARK 465 GLN C -2 +REMARK 465 THR C -1 +REMARK 465 VAL C 0 +REMARK 465 ASP C 1 +REMARK 465 GLU C 2 +REMARK 465 VAL C 3 +REMARK 465 ARG C 4 +REMARK 465 ASN C 5 +REMARK 465 LEU C 6 +REMARK 465 ASN C 7 +REMARK 465 ALA C 8 +REMARK 465 ALA C 9 +REMARK 465 ARG C 10 +REMARK 465 GLU C 11 +REMARK 465 LEU C 12 +REMARK 465 PHE C 13 +REMARK 465 LEU C 14 +REMARK 465 ASP C 15 +REMARK 465 GLU C 16 +REMARK 465 LEU C 17 +REMARK 465 LEU C 18 +REMARK 465 ALA C 19 +REMARK 465 ALA C 20 +REMARK 465 PRO C 21 +REMARK 465 ALA C 22 +REMARK 465 ALA C 23 +REMARK 465 PRO C 24 +REMARK 465 ALA C 25 +REMARK 465 SER C 26 +REMARK 465 ALA C 27 +REMARK 465 GLU C 28 +REMARK 465 GLN C 29 +REMARK 465 GLU C 30 +REMARK 465 GLU C 31 +REMARK 465 LEU C 32 +REMARK 465 LEU C 33 +REMARK 465 ALA C 34 +REMARK 465 LEU C 35 +REMARK 465 LEU C 36 +REMARK 465 ARG C 37 +REMARK 465 SER C 38 +REMARK 465 GLU C 39 +REMARK 465 ARG C 40 +REMARK 465 ILE C 41 +REMARK 465 VAL C 42 +REMARK 465 LEU C 43 +REMARK 465 ALA C 44 +REMARK 465 HIS C 45 +REMARK 465 ALA C 46 +REMARK 465 GLY C 47 +REMARK 465 GLN C 48 +REMARK 465 PRO C 49 +REMARK 465 LEU C 50 +REMARK 465 SER C 51 +REMARK 465 GLU C 52 +REMARK 465 ALA C 53 +REMARK 465 GLN C 54 +REMARK 465 VAL C 55 +REMARK 465 LEU C 56 +REMARK 465 LYS C 57 +REMARK 465 ALA C 58 +REMARK 465 LEU C 59 +REMARK 465 ALA C 60 +REMARK 465 TRP C 61 +REMARK 465 LEU C 62 +REMARK 465 LEU C 63 +REMARK 465 ALA C 64 +REMARK 465 ALA C 65 +REMARK 465 ASN C 66 +REMARK 465 PRO C 67 +REMARK 465 SER C 68 +REMARK 465 ALA C 69 +REMARK 465 PRO C 70 +REMARK 465 PRO C 71 +REMARK 465 GLY C 72 +REMARK 465 GLN C 73 +REMARK 465 GLY C 74 +REMARK 465 LEU C 75 +REMARK 465 GLU C 76 +REMARK 465 VAL C 77 +REMARK 465 LEU C 78 +REMARK 465 ARG C 79 +REMARK 465 GLU C 80 +REMARK 465 VAL C 81 +REMARK 465 LEU C 82 +REMARK 465 GLN C 83 +REMARK 465 ALA C 84 +REMARK 465 ARG C 85 +REMARK 465 ARG C 86 +REMARK 465 GLN C 87 +REMARK 465 PRO C 88 +REMARK 465 GLY C 89 +REMARK 465 ALA C 90 +REMARK 465 GLN C 91 +REMARK 465 TRP C 92 +REMARK 465 ASP C 93 +REMARK 465 LEU C 94 +REMARK 465 ARG C 95 +REMARK 465 GLU C 96 +REMARK 465 PHE C 97 +REMARK 465 LEU C 98 +REMARK 465 VAL C 99 +REMARK 465 SER C 100 +REMARK 465 ALA C 101 +REMARK 465 TYR C 102 +REMARK 465 PHE C 103 +REMARK 465 SER C 104 +REMARK 465 LEU C 105 +REMARK 465 HIS C 106 +REMARK 465 GLY C 107 +REMARK 465 ARG C 108 +REMARK 465 LEU C 109 +REMARK 465 ASP C 110 +REMARK 465 GLU C 111 +REMARK 465 ASP C 112 +REMARK 465 VAL C 113 +REMARK 465 ILE C 114 +REMARK 465 GLY C 115 +REMARK 465 VAL C 116 +REMARK 465 TYR C 117 +REMARK 465 LYS C 118 +REMARK 465 ASP C 119 +REMARK 465 VAL C 120 +REMARK 465 LEU C 121 +REMARK 465 GLN C 122 +REMARK 465 THR C 123 +REMARK 465 GLN C 124 +REMARK 465 ASP C 125 +REMARK 465 GLY C 126 +REMARK 465 SER C 266 +REMARK 465 SER C 267 +REMARK 465 ARG C 268 +REMARK 465 TYR C 269 +REMARK 465 ASN C 270 +REMARK 465 SER C 271 +REMARK 465 ALA C 272 +REMARK 465 VAL C 273 +REMARK 465 GLU C 274 +REMARK 465 ALA C 275 +REMARK 465 LEU C 276 +REMARK 465 ASN C 277 +REMARK 465 ARG C 278 +REMARK 465 PHE C 279 +REMARK 465 ILE C 280 +REMARK 465 GLN C 281 +REMARK 465 LYS C 282 +REMARK 465 TYR C 283 +REMARK 465 ASP C 284 +REMARK 465 SER C 285 +REMARK 465 VAL C 286 +REMARK 465 LEU C 287 +REMARK 465 ARG C 288 +REMARK 465 ASP C 289 +REMARK 465 ILE C 290 +REMARK 465 LEU C 291 +REMARK 465 SER C 292 +REMARK 465 ALA C 293 +REMARK 465 ILE C 294 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 OD1 ASP A 73 HG SER A 75 1.58 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ARG A 19 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES +REMARK 500 ARG A 38 NE - CZ - NH2 ANGL. DEV. = 3.0 DEGREES +REMARK 500 ARG A 87 NE - CZ - NH2 ANGL. DEV. = 3.2 DEGREES +REMARK 500 ARG B 62 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 SER A 30 -57.57 59.71 +REMARK 500 SER A 31 -5.57 -153.42 +REMARK 500 ILE A 51 -46.58 63.74 +REMARK 500 SER A 52 -8.82 -167.57 +REMARK 500 THR A 58 22.84 -70.35 +REMARK 500 TYR A 59 13.23 -142.99 +REMARK 500 TYR A 60 163.76 56.17 +REMARK 500 ALA A 64 3.44 -156.70 +REMARK 500 LYS A 65 62.56 60.50 +REMARK 500 ASP A 73 74.96 -154.09 +REMARK 500 THR A 91 109.30 -55.45 +REMARK 500 ALA A 92 -159.85 -169.62 +REMARK 500 ARG A 100 -70.53 -160.07 +REMARK 500 SER A 106 -50.91 66.94 +REMARK 500 TYR A 108 10.44 57.78 +REMARK 500 ARG A 110 -104.57 48.76 +REMARK 500 PHE A 114 171.76 -56.96 +REMARK 500 GLU A 115 -21.81 -140.39 +REMARK 500 VAL A 125 93.24 -66.61 +REMARK 500 SER A 126 30.15 -87.50 +REMARK 500 THR A 174 -36.69 -140.62 +REMARK 500 THR A 207 78.32 -68.59 +REMARK 500 ASN B 52 -37.22 71.19 +REMARK 500 ASP B 53 0.57 -156.99 +REMARK 500 SER B 57 62.83 -66.07 +REMARK 500 ASP B 61 42.46 -74.26 +REMARK 500 THR B 70 25.98 -73.76 +REMARK 500 SER B 95 -141.48 38.35 +REMARK 500 VAL B 100 -28.89 -142.33 +REMARK 500 THR B 105 119.42 -162.55 +REMARK 500 ASN B 132 -16.85 62.62 +REMARK 500 ALA B 147 24.62 -79.73 +REMARK 500 ASP B 155 -99.35 43.16 +REMARK 500 LYS B 160 -24.58 -150.69 +REMARK 500 ASN B 174 19.56 59.75 +REMARK 500 SER B 204 11.47 -141.59 +REMARK 500 ARG C 128 32.02 -140.44 +REMARK 500 TYR C 177 -32.04 -142.46 +REMARK 500 ALA C 180 -167.50 53.02 +REMARK 500 ASP C 183 165.83 63.58 +REMARK 500 LEU C 205 113.92 -166.44 +REMARK 500 LYS C 225 -108.81 -98.66 +REMARK 500 ASP C 226 -64.94 -164.54 +REMARK 500 PHE C 230 49.26 -79.76 +REMARK 500 ASP C 233 137.45 66.27 +REMARK 500 ASN C 235 100.62 -56.61 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 TYR B 37 0.16 SIDE CHAIN +REMARK 500 TYR B 99 0.08 SIDE CHAIN +REMARK 500 TYR B 195 0.08 SIDE CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: EMD-16807 RELATED DB: EMDB +REMARK 900 CRYO-EM STRUCTURE OF PCRV/FAB(11-E5) +DBREF 8CRB A 1 227 PDB 8CRB 8CRB 1 227 +DBREF 8CRB B 1 216 PDB 8CRB 8CRB 1 216 +DBREF 8CRB C -354 1 UNP P0AEX9 MALE_ECOLI 29 384 +DBREF 8CRB C 2 294 UNP G3XD49 G3XD49_PSEAE 2 294 +SEQADV 8CRB MET C -397 UNP P0AEX9 INITIATING METHIONINE +SEQADV 8CRB GLY C -396 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -395 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB TRP C -394 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -393 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB HIS C -392 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB PRO C -391 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLN C -390 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB PHE C -389 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLU C -388 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB LYS C -387 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -386 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -385 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -384 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -383 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -382 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -381 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -380 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -379 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -378 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -377 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -376 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -375 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB TRP C -374 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -373 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB HIS C -372 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB PRO C -371 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLN C -370 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB PHE C -369 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLU C -368 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB LYS C -367 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -366 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -365 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB LEU C -364 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB VAL C -363 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB PRO C -362 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB ARG C -361 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB GLY C -360 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -359 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB ALA C -358 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB SER C -357 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB LYS C -356 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB THR C -355 UNP P0AEX9 EXPRESSION TAG +SEQADV 8CRB ALA C -275 UNP P0AEX9 ASP 108 CONFLICT +SEQADV 8CRB ALA C -274 UNP P0AEX9 LYS 109 CONFLICT +SEQADV 8CRB ALA C -185 UNP P0AEX9 GLU 198 CONFLICT +SEQADV 8CRB ALA C -184 UNP P0AEX9 ASN 199 CONFLICT +SEQADV 8CRB HIS C -142 UNP P0AEX9 ALA 241 CONFLICT +SEQADV 8CRB HIS C -138 UNP P0AEX9 LYS 245 CONFLICT +SEQADV 8CRB VAL C -45 UNP P0AEX9 ALA 338 CONFLICT +SEQADV 8CRB VAL C -40 UNP P0AEX9 ILE 343 CONFLICT +SEQADV 8CRB PRO C 21 UNP G3XD49 SER 21 CONFLICT +SEQADV 8CRB LYS C 225 UNP G3XD49 SER 225 CONFLICT +SEQRES 1 A 227 GLU VAL GLN LEU LEU GLU SER GLY GLY GLY LEU VAL GLN +SEQRES 2 A 227 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY +SEQRES 3 A 227 PHE SER PHE SER SER TYR ALA MET SER TRP VAL ARG GLN +SEQRES 4 A 227 ALA PRO GLY LYS GLY LEU GLU TRP VAL SER ALA ILE SER +SEQRES 5 A 227 GLY SER GLY GLY ILE THR TYR TYR GLY ASP SER ALA LYS +SEQRES 6 A 227 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR +SEQRES 7 A 227 LEU TYR LEU GLU MET SER SER LEU ARG ALA ASP ASP THR +SEQRES 8 A 227 ALA VAL TYR TYR CYS ALA GLN GLU ARG TYR CYS ASP SER +SEQRES 9 A 227 GLY SER CYS TYR GLU ARG ASP PRO VAL PHE GLU TYR TRP +SEQRES 10 A 227 GLY GLN GLY THR ARG VAL THR VAL SER SER ALA SER THR +SEQRES 11 A 227 LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS +SEQRES 12 A 227 SER THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL +SEQRES 13 A 227 LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN +SEQRES 14 A 227 SER GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA +SEQRES 15 A 227 VAL LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL +SEQRES 16 A 227 VAL THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR +SEQRES 17 A 227 ILE CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL +SEQRES 18 A 227 ASP LYS ARG VAL GLU PRO +SEQRES 1 B 216 GLN SER VAL LEU THR GLN PRO PRO SER ALA SER GLY ALA +SEQRES 2 B 216 PRO GLY GLN ARG VAL THR ILE SER CYS SER GLY SER ASN +SEQRES 3 B 216 SER ASN ILE GLY THR TYR PHE VAL TYR TRP TYR GLN GLN +SEQRES 4 B 216 LEU PRO GLY THR ALA PRO LYS VAL LEU ILE TYR ARG ASN +SEQRES 5 B 216 ASP GLN ARG PRO SER GLY VAL PRO ASP ARG ILE SER GLY +SEQRES 6 B 216 SER LYS SER GLY THR SER ALA SER LEU ALA ILE SER GLY +SEQRES 7 B 216 LEU ARG SER GLU ASP GLU ALA ASP TYR TYR CYS ALA SER +SEQRES 8 B 216 TRP ASP ALA SER LEU ARG GLY TYR VAL PHE GLY PRO GLY +SEQRES 9 B 216 THR LYS VAL THR VAL LEU GLY GLN PRO LYS ALA ALA PRO +SEQRES 10 B 216 SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU GLN +SEQRES 11 B 216 ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP PHE +SEQRES 12 B 216 TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SER +SEQRES 13 B 216 SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SER +SEQRES 14 B 216 LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR LEU +SEQRES 15 B 216 SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER TYR +SEQRES 16 B 216 SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU LYS +SEQRES 17 B 216 THR VAL ALA PRO THR GLU CYS SER +SEQRES 1 C 692 MET GLY SER TRP SER HIS PRO GLN PHE GLU LYS GLY GLY +SEQRES 2 C 692 GLY SER GLY GLY GLY SER GLY GLY GLY SER TRP SER HIS +SEQRES 3 C 692 PRO GLN PHE GLU LYS SER GLY LEU VAL PRO ARG GLY SER +SEQRES 4 C 692 ALA SER LYS THR GLU GLU GLY LYS LEU VAL ILE TRP ILE +SEQRES 5 C 692 ASN GLY ASP LYS GLY TYR ASN GLY LEU ALA GLU VAL GLY +SEQRES 6 C 692 LYS LYS PHE GLU LYS ASP THR GLY ILE LYS VAL THR VAL +SEQRES 7 C 692 GLU HIS PRO ASP LYS LEU GLU GLU LYS PHE PRO GLN VAL +SEQRES 8 C 692 ALA ALA THR GLY ASP GLY PRO ASP ILE ILE PHE TRP ALA +SEQRES 9 C 692 HIS ASP ARG PHE GLY GLY TYR ALA GLN SER GLY LEU LEU +SEQRES 10 C 692 ALA GLU ILE THR PRO ALA ALA ALA PHE GLN ASP LYS LEU +SEQRES 11 C 692 TYR PRO PHE THR TRP ASP ALA VAL ARG TYR ASN GLY LYS +SEQRES 12 C 692 LEU ILE ALA TYR PRO ILE ALA VAL GLU ALA LEU SER LEU +SEQRES 13 C 692 ILE TYR ASN LYS ASP LEU LEU PRO ASN PRO PRO LYS THR +SEQRES 14 C 692 TRP GLU GLU ILE PRO ALA LEU ASP LYS GLU LEU LYS ALA +SEQRES 15 C 692 LYS GLY LYS SER ALA LEU MET PHE ASN LEU GLN GLU PRO +SEQRES 16 C 692 TYR PHE THR TRP PRO LEU ILE ALA ALA ASP GLY GLY TYR +SEQRES 17 C 692 ALA PHE LYS TYR ALA ALA GLY LYS TYR ASP ILE LYS ASP +SEQRES 18 C 692 VAL GLY VAL ASP ASN ALA GLY ALA LYS ALA GLY LEU THR +SEQRES 19 C 692 PHE LEU VAL ASP LEU ILE LYS ASN LYS HIS MET ASN ALA +SEQRES 20 C 692 ASP THR ASP TYR SER ILE ALA GLU HIS ALA PHE ASN HIS +SEQRES 21 C 692 GLY GLU THR ALA MET THR ILE ASN GLY PRO TRP ALA TRP +SEQRES 22 C 692 SER ASN ILE ASP THR SER LYS VAL ASN TYR GLY VAL THR +SEQRES 23 C 692 VAL LEU PRO THR PHE LYS GLY GLN PRO SER LYS PRO PHE +SEQRES 24 C 692 VAL GLY VAL LEU SER ALA GLY ILE ASN ALA ALA SER PRO +SEQRES 25 C 692 ASN LYS GLU LEU ALA LYS GLU PHE LEU GLU ASN TYR LEU +SEQRES 26 C 692 LEU THR ASP GLU GLY LEU GLU ALA VAL ASN LYS ASP LYS +SEQRES 27 C 692 PRO LEU GLY ALA VAL ALA LEU LYS SER TYR GLU GLU GLU +SEQRES 28 C 692 LEU VAL LYS ASP PRO ARG VAL ALA ALA THR MET GLU ASN +SEQRES 29 C 692 ALA GLN LYS GLY GLU ILE MET PRO ASN ILE PRO GLN MET +SEQRES 30 C 692 SER ALA PHE TRP TYR ALA VAL ARG THR ALA VAL ILE ASN +SEQRES 31 C 692 ALA ALA SER GLY ARG GLN THR VAL ASP GLU VAL ARG ASN +SEQRES 32 C 692 LEU ASN ALA ALA ARG GLU LEU PHE LEU ASP GLU LEU LEU +SEQRES 33 C 692 ALA ALA PRO ALA ALA PRO ALA SER ALA GLU GLN GLU GLU +SEQRES 34 C 692 LEU LEU ALA LEU LEU ARG SER GLU ARG ILE VAL LEU ALA +SEQRES 35 C 692 HIS ALA GLY GLN PRO LEU SER GLU ALA GLN VAL LEU LYS +SEQRES 36 C 692 ALA LEU ALA TRP LEU LEU ALA ALA ASN PRO SER ALA PRO +SEQRES 37 C 692 PRO GLY GLN GLY LEU GLU VAL LEU ARG GLU VAL LEU GLN +SEQRES 38 C 692 ALA ARG ARG GLN PRO GLY ALA GLN TRP ASP LEU ARG GLU +SEQRES 39 C 692 PHE LEU VAL SER ALA TYR PHE SER LEU HIS GLY ARG LEU +SEQRES 40 C 692 ASP GLU ASP VAL ILE GLY VAL TYR LYS ASP VAL LEU GLN +SEQRES 41 C 692 THR GLN ASP GLY LYS ARG LYS ALA LEU LEU ASP GLU LEU +SEQRES 42 C 692 LYS ALA LEU THR ALA GLU LEU LYS VAL TYR SER VAL ILE +SEQRES 43 C 692 GLN SER GLN ILE ASN ALA ALA LEU SER ALA LYS GLN GLY +SEQRES 44 C 692 ILE ARG ILE ASP ALA GLY GLY ILE ASP LEU VAL ASP PRO +SEQRES 45 C 692 THR LEU TYR GLY TYR ALA VAL GLY ASP PRO ARG TRP LYS +SEQRES 46 C 692 ASP SER PRO GLU TYR ALA LEU LEU SER ASN LEU ASP THR +SEQRES 47 C 692 PHE SER GLY LYS LEU SER ILE LYS ASP PHE LEU SER GLY +SEQRES 48 C 692 SER PRO LYS GLN SER GLY GLU LEU LYS GLY LEU LYS ASP +SEQRES 49 C 692 GLU TYR PRO PHE GLU LYS ASP ASN ASN PRO VAL GLY ASN +SEQRES 50 C 692 PHE ALA THR THR VAL SER ASP ARG SER ARG PRO LEU ASN +SEQRES 51 C 692 ASP LYS VAL ASN GLU LYS THR THR LEU LEU ASN ASP THR +SEQRES 52 C 692 SER SER ARG TYR ASN SER ALA VAL GLU ALA LEU ASN ARG +SEQRES 53 C 692 PHE ILE GLN LYS TYR ASP SER VAL LEU ARG ASP ILE LEU +SEQRES 54 C 692 SER ALA ILE +HELIX 1 AA1 ASN A 74 LYS A 76 5 3 +HELIX 2 AA2 ARG A 87 THR A 91 5 5 +HELIX 3 AA3 SER A 141 SER A 146 5 6 +HELIX 4 AA4 SER A 201 LEU A 203 5 3 +HELIX 5 AA5 ASN B 28 TYR B 32 5 5 +HELIX 6 AA6 ARG B 80 GLU B 84 5 5 +HELIX 7 AA7 SER B 125 GLN B 130 1 6 +HELIX 8 AA8 THR B 185 HIS B 192 1 8 +HELIX 9 AA9 ALA B 211 CYS B 215 5 5 +HELIX 10 AB1 LYS C 129 ALA C 158 1 30 +HELIX 11 AB2 ASP C 173 TYR C 177 5 5 +HELIX 12 AB3 SER C 189 LEU C 198 1 10 +HELIX 13 AB4 SER C 206 SER C 212 1 7 +HELIX 14 AB5 PRO C 236 ASP C 264 1 29 +SHEET 1 AA1 4 GLN A 3 SER A 7 0 +SHEET 2 AA1 4 SER A 17 SER A 25 -1 O ALA A 23 N LEU A 5 +SHEET 3 AA1 4 THR A 78 SER A 84 -1 O LEU A 81 N LEU A 20 +SHEET 4 AA1 4 PHE A 68 ASP A 73 -1 N THR A 69 O GLU A 82 +SHEET 1 AA2 5 GLY A 10 VAL A 12 0 +SHEET 2 AA2 5 THR A 121 VAL A 125 1 O THR A 124 N VAL A 12 +SHEET 3 AA2 5 ALA A 92 GLN A 98 -1 N ALA A 92 O VAL A 123 +SHEET 4 AA2 5 MET A 34 GLN A 39 -1 N VAL A 37 O TYR A 95 +SHEET 5 AA2 5 GLU A 46 SER A 49 -1 O VAL A 48 N TRP A 36 +SHEET 1 AA3 4 GLY A 10 VAL A 12 0 +SHEET 2 AA3 4 THR A 121 VAL A 125 1 O THR A 124 N VAL A 12 +SHEET 3 AA3 4 ALA A 92 GLN A 98 -1 N ALA A 92 O VAL A 123 +SHEET 4 AA3 4 TYR A 116 TRP A 117 -1 O TYR A 116 N GLN A 98 +SHEET 1 AA4 4 SER A 134 PRO A 137 0 +SHEET 2 AA4 4 THR A 149 TYR A 159 -1 O LEU A 155 N PHE A 136 +SHEET 3 AA4 4 TYR A 190 PRO A 199 -1 O VAL A 196 N LEU A 152 +SHEET 4 AA4 4 VAL A 183 LEU A 184 -1 N VAL A 183 O SER A 191 +SHEET 1 AA5 3 VAL A 164 TRP A 168 0 +SHEET 2 AA5 3 ILE A 209 HIS A 214 -1 O ASN A 211 N SER A 167 +SHEET 3 AA5 3 LYS A 220 ARG A 224 -1 O LYS A 223 N CYS A 210 +SHEET 1 AA6 5 SER B 11 GLY B 12 0 +SHEET 2 AA6 5 LYS B 106 VAL B 109 1 O THR B 108 N GLY B 12 +SHEET 3 AA6 5 ALA B 85 TYR B 88 -1 N ALA B 85 O VAL B 107 +SHEET 4 AA6 5 TYR B 37 GLN B 39 -1 N TYR B 37 O TYR B 88 +SHEET 5 AA6 5 LYS B 46 VAL B 47 -1 O LYS B 46 N GLN B 38 +SHEET 1 AA7 3 VAL B 18 SER B 23 0 +SHEET 2 AA7 3 SER B 71 ILE B 76 -1 O ALA B 72 N CYS B 22 +SHEET 3 AA7 3 ILE B 63 SER B 68 -1 N SER B 68 O SER B 71 +SHEET 1 AA8 4 SER B 118 PHE B 122 0 +SHEET 2 AA8 4 THR B 135 PHE B 143 -1 O SER B 141 N SER B 118 +SHEET 3 AA8 4 TYR B 176 SER B 183 -1 O ALA B 178 N ILE B 140 +SHEET 4 AA8 4 VAL B 163 THR B 165 -1 N GLU B 164 O TYR B 181 +SHEET 1 AA9 4 SER B 118 PHE B 122 0 +SHEET 2 AA9 4 THR B 135 PHE B 143 -1 O SER B 141 N SER B 118 +SHEET 3 AA9 4 TYR B 176 SER B 183 -1 O ALA B 178 N ILE B 140 +SHEET 4 AA9 4 SER B 169 LYS B 170 -1 N SER B 169 O ALA B 177 +SHEET 1 AB1 4 SER B 157 PRO B 158 0 +SHEET 2 AB1 4 THR B 149 ALA B 154 -1 N ALA B 154 O SER B 157 +SHEET 3 AB1 4 TYR B 195 THR B 200 -1 O THR B 200 N THR B 149 +SHEET 4 AB1 4 VAL B 206 THR B 209 -1 O VAL B 206 N VAL B 199 +SHEET 1 AB2 2 ILE C 162 ARG C 163 0 +SHEET 2 AB2 2 GLU C 227 TYR C 228 -1 O TYR C 228 N ILE C 162 +CISPEP 1 PHE A 160 PRO A 161 0 -26.88 +CISPEP 2 GLU A 162 PRO A 163 0 6.52 +CISPEP 3 TYR B 144 PRO B 145 0 -4.17 +CISPEP 4 SER C 214 PRO C 215 0 -12.54 +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 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +ATOM 1 N GLU A 1 44.900 70.195 75.252 1.00103.93 N +ATOM 2 CA GLU A 1 46.322 69.945 74.906 1.00102.61 C +ATOM 3 C GLU A 1 47.140 69.629 76.171 1.00 97.12 C +ATOM 4 O GLU A 1 46.920 70.240 77.217 1.00 92.99 O +ATOM 5 CB GLU A 1 46.928 71.132 74.130 1.00 96.99 C +ATOM 6 CG GLU A 1 46.335 71.279 72.718 1.00 88.10 C +ATOM 7 CD GLU A 1 46.859 72.518 71.970 1.00 91.22 C +ATOM 8 OE1 GLU A 1 46.796 73.640 72.517 1.00 95.80 O +ATOM 9 OE2 GLU A 1 47.300 72.382 70.805 1.00 89.22 O +ATOM 10 H1 GLU A 1 44.354 70.369 74.421 1.00124.72 H +ATOM 11 H2 GLU A 1 44.507 69.400 75.732 1.00124.72 H +ATOM 12 H3 GLU A 1 44.828 70.995 75.863 1.00124.72 H +ATOM 13 HA GLU A 1 46.376 69.069 74.260 1.00123.13 H +ATOM 14 HB2 GLU A 1 46.771 72.048 74.697 1.00116.39 H +ATOM 15 HB3 GLU A 1 48.002 70.974 74.030 1.00116.39 H +ATOM 16 HG2 GLU A 1 46.569 70.379 72.151 1.00105.72 H +ATOM 17 HG3 GLU A 1 45.251 71.357 72.788 1.00105.72 H +ATOM 18 N VAL A 2 48.089 68.684 76.102 1.00 90.48 N +ATOM 19 CA VAL A 2 49.039 68.344 77.187 1.00 81.90 C +ATOM 20 C VAL A 2 50.421 68.879 76.816 1.00 78.43 C +ATOM 21 O VAL A 2 50.895 68.609 75.712 1.00 80.39 O +ATOM 22 CB VAL A 2 49.116 66.820 77.429 1.00 85.05 C +ATOM 23 CG1 VAL A 2 50.056 66.475 78.591 1.00 86.25 C +ATOM 24 CG2 VAL A 2 47.745 66.212 77.737 1.00 86.90 C +ATOM 25 H VAL A 2 48.230 68.218 75.219 1.00108.57 H +ATOM 26 HA VAL A 2 48.728 68.817 78.118 1.00 98.28 H +ATOM 27 HB VAL A 2 49.498 66.337 76.530 1.00102.06 H +ATOM 28 HG11 VAL A 2 50.067 65.398 78.751 1.00103.50 H +ATOM 29 HG12 VAL A 2 51.074 66.791 78.368 1.00103.50 H +ATOM 30 HG13 VAL A 2 49.723 66.964 79.506 1.00103.50 H +ATOM 31 HG21 VAL A 2 47.852 65.149 77.946 1.00104.28 H +ATOM 32 HG22 VAL A 2 47.299 66.704 78.600 1.00104.28 H +ATOM 33 HG23 VAL A 2 47.085 66.323 76.878 1.00104.28 H +ATOM 34 N GLN A 3 51.060 69.652 77.700 1.00 72.37 N +ATOM 35 CA GLN A 3 52.345 70.307 77.412 1.00 63.68 C +ATOM 36 C GLN A 3 53.050 70.835 78.672 1.00 57.90 C +ATOM 37 O GLN A 3 52.408 71.002 79.709 1.00 66.49 O +ATOM 38 CB GLN A 3 52.130 71.439 76.386 1.00 62.58 C +ATOM 39 CG GLN A 3 51.160 72.544 76.850 1.00 69.98 C +ATOM 40 CD GLN A 3 50.732 73.499 75.734 1.00 76.20 C +ATOM 41 OE1 GLN A 3 51.006 73.313 74.556 1.00 69.38 O +ATOM 42 NE2 GLN A 3 50.032 74.562 76.063 1.00 80.33 N +ATOM 43 H GLN A 3 50.665 69.778 78.620 1.00 86.85 H +ATOM 44 HA GLN A 3 53.003 69.561 76.968 1.00 76.41 H +ATOM 45 HB2 GLN A 3 53.091 71.894 76.152 1.00 75.09 H +ATOM 46 HB3 GLN A 3 51.750 71.002 75.464 1.00 75.09 H +ATOM 47 HG2 GLN A 3 50.254 72.097 77.256 1.00 83.98 H +ATOM 48 HG3 GLN A 3 51.634 73.122 77.643 1.00 83.98 H +ATOM 49 HE21 GLN A 3 49.748 75.194 75.329 1.00 96.40 H +ATOM 50 HE22 GLN A 3 49.775 74.730 77.025 1.00 96.40 H +ATOM 51 N LEU A 4 54.340 71.179 78.592 1.00 48.28 N +ATOM 52 CA LEU A 4 54.957 72.095 79.568 1.00 53.12 C +ATOM 53 C LEU A 4 54.941 73.549 79.064 1.00 57.68 C +ATOM 54 O LEU A 4 54.817 73.783 77.863 1.00 55.25 O +ATOM 55 CB LEU A 4 56.399 71.697 79.924 1.00 49.49 C +ATOM 56 CG LEU A 4 56.732 70.211 80.119 1.00 61.02 C +ATOM 57 CD1 LEU A 4 58.145 70.082 80.691 1.00 56.22 C +ATOM 58 CD2 LEU A 4 55.787 69.497 81.079 1.00 68.14 C +ATOM 59 H LEU A 4 54.821 71.028 77.721 1.00 57.94 H +ATOM 60 HA LEU A 4 54.383 72.069 80.494 1.00 63.74 H +ATOM 61 HB2 LEU A 4 57.055 72.078 79.144 1.00 59.39 H +ATOM 62 HB3 LEU A 4 56.662 72.222 80.841 1.00 59.39 H +ATOM 63 HG LEU A 4 56.703 69.717 79.149 1.00 73.23 H +ATOM 64 HD11 LEU A 4 58.429 69.033 80.730 1.00 67.46 H +ATOM 65 HD12 LEU A 4 58.857 70.609 80.059 1.00 67.46 H +ATOM 66 HD13 LEU A 4 58.189 70.501 81.693 1.00 67.46 H +ATOM 67 HD21 LEU A 4 56.079 68.451 81.153 1.00 81.77 H +ATOM 68 HD22 LEU A 4 55.863 69.950 82.066 1.00 81.77 H +ATOM 69 HD23 LEU A 4 54.760 69.549 80.720 1.00 81.77 H +ATOM 70 N LEU A 5 55.129 74.516 79.970 1.00 59.35 N +ATOM 71 CA LEU A 5 55.388 75.931 79.677 1.00 56.62 C +ATOM 72 C LEU A 5 56.485 76.536 80.579 1.00 61.93 C +ATOM 73 O LEU A 5 56.500 76.330 81.793 1.00 60.05 O +ATOM 74 CB LEU A 5 54.084 76.735 79.802 1.00 51.64 C +ATOM 75 CG LEU A 5 53.048 76.447 78.702 1.00 59.95 C +ATOM 76 CD1 LEU A 5 51.732 77.135 79.040 1.00 68.25 C +ATOM 77 CD2 LEU A 5 53.513 76.954 77.337 1.00 56.33 C +ATOM 78 H LEU A 5 55.194 74.236 80.938 1.00 71.22 H +ATOM 79 HA LEU A 5 55.753 76.013 78.653 1.00 67.95 H +ATOM 80 HB2 LEU A 5 53.644 76.522 80.775 1.00 61.96 H +ATOM 81 HB3 LEU A 5 54.321 77.798 79.777 1.00 61.96 H +ATOM 82 HG LEU A 5 52.850 75.378 78.642 1.00 71.94 H +ATOM 83 HD11 LEU A 5 50.994 76.916 78.271 1.00 81.89 H +ATOM 84 HD12 LEU A 5 51.362 76.764 79.993 1.00 81.89 H +ATOM 85 HD13 LEU A 5 51.877 78.210 79.107 1.00 81.89 H +ATOM 86 HD21 LEU A 5 52.724 76.811 76.605 1.00 67.59 H +ATOM 87 HD22 LEU A 5 53.762 78.007 77.390 1.00 67.59 H +ATOM 88 HD23 LEU A 5 54.381 76.396 77.005 1.00 67.59 H +ATOM 89 N GLU A 6 57.378 77.333 79.989 1.00 58.98 N +ATOM 90 CA GLU A 6 58.518 77.979 80.662 1.00 59.35 C +ATOM 91 C GLU A 6 58.191 79.370 81.218 1.00 64.48 C +ATOM 92 O GLU A 6 57.241 80.018 80.781 1.00 62.98 O +ATOM 93 CB GLU A 6 59.712 78.108 79.694 1.00 53.39 C +ATOM 94 CG GLU A 6 60.569 76.849 79.621 1.00 58.72 C +ATOM 95 CD GLU A 6 59.733 75.618 79.284 1.00 57.27 C +ATOM 96 OE1 GLU A 6 59.363 75.476 78.101 1.00 50.77 O +ATOM 97 OE2 GLU A 6 59.466 74.812 80.197 1.00 55.85 O +ATOM 98 H GLU A 6 57.289 77.481 78.995 1.00 70.78 H +ATOM 99 HA GLU A 6 58.828 77.362 81.505 1.00 71.23 H +ATOM 100 HB2 GLU A 6 59.352 78.362 78.698 1.00 64.07 H +ATOM 101 HB3 GLU A 6 60.370 78.913 80.020 1.00 64.07 H +ATOM 102 HG2 GLU A 6 61.340 76.998 78.867 1.00 70.46 H +ATOM 103 HG3 GLU A 6 61.073 76.720 80.579 1.00 70.46 H +ATOM 104 N SER A 7 59.043 79.874 82.115 1.00 68.65 N +ATOM 105 CA SER A 7 59.110 81.296 82.476 1.00 76.50 C +ATOM 106 C SER A 7 60.529 81.744 82.881 1.00 75.24 C +ATOM 107 O SER A 7 61.347 80.927 83.313 1.00 66.91 O +ATOM 108 CB SER A 7 58.073 81.598 83.566 1.00 88.09 C +ATOM 109 OG SER A 7 58.042 82.979 83.879 1.00 95.48 O +ATOM 110 H SER A 7 59.776 79.271 82.460 1.00 82.38 H +ATOM 111 HA SER A 7 58.833 81.880 81.599 1.00 91.80 H +ATOM 112 HB2 SER A 7 57.088 81.296 83.212 1.00105.70 H +ATOM 113 HB3 SER A 7 58.300 81.027 84.466 1.00105.70 H +ATOM 114 HG SER A 7 57.331 83.128 84.503 1.00114.58 H +ATOM 115 N GLY A 8 60.804 83.049 82.755 1.00 84.06 N +ATOM 116 CA GLY A 8 62.006 83.754 83.232 1.00 86.40 C +ATOM 117 C GLY A 8 62.876 84.408 82.143 1.00 88.04 C +ATOM 118 O GLY A 8 63.535 85.412 82.404 1.00 84.21 O +ATOM 119 H GLY A 8 60.050 83.631 82.426 1.00100.88 H +ATOM 120 HA2 GLY A 8 61.705 84.529 83.931 1.00103.68 H +ATOM 121 HA3 GLY A 8 62.636 83.052 83.770 1.00103.68 H +ATOM 122 N GLY A 9 62.884 83.859 80.925 1.00 91.13 N +ATOM 123 CA GLY A 9 63.960 84.065 79.939 1.00 84.41 C +ATOM 124 C GLY A 9 64.033 85.407 79.209 1.00 78.32 C +ATOM 125 O GLY A 9 63.139 86.251 79.304 1.00 78.83 O +ATOM 126 H GLY A 9 62.244 83.096 80.764 1.00109.36 H +ATOM 127 HA2 GLY A 9 64.914 83.929 80.447 1.00101.30 H +ATOM 128 HA3 GLY A 9 63.889 83.293 79.174 1.00101.30 H +ATOM 129 N GLY A 10 65.124 85.581 78.453 1.00 75.40 N +ATOM 130 CA GLY A 10 65.436 86.800 77.711 1.00 84.94 C +ATOM 131 C GLY A 10 66.897 87.228 77.862 1.00 81.88 C +ATOM 132 O GLY A 10 67.788 86.644 77.248 1.00 73.60 O +ATOM 133 H GLY A 10 65.771 84.813 78.354 1.00 90.48 H +ATOM 134 HA2 GLY A 10 65.246 86.627 76.653 1.00101.93 H +ATOM 135 HA3 GLY A 10 64.796 87.621 78.033 1.00101.93 H +ATOM 136 N LEU A 11 67.140 88.281 78.645 1.00 82.03 N +ATOM 137 CA LEU A 11 68.413 89.008 78.713 1.00 76.62 C +ATOM 138 C LEU A 11 68.981 89.068 80.136 1.00 72.72 C +ATOM 139 O LEU A 11 68.235 89.139 81.110 1.00 72.46 O +ATOM 140 CB LEU A 11 68.227 90.423 78.142 1.00 85.95 C +ATOM 141 CG LEU A 11 67.760 90.495 76.676 1.00 88.38 C +ATOM 142 CD1 LEU A 11 67.654 91.953 76.240 1.00 86.03 C +ATOM 143 CD2 LEU A 11 68.696 89.772 75.710 1.00 81.89 C +ATOM 144 H LEU A 11 66.366 88.665 79.166 1.00 98.43 H +ATOM 145 HA LEU A 11 69.154 88.496 78.101 1.00 91.94 H +ATOM 146 HB2 LEU A 11 67.499 90.949 78.759 1.00103.14 H +ATOM 147 HB3 LEU A 11 69.172 90.956 78.232 1.00103.14 H +ATOM 148 HG LEU A 11 66.769 90.050 76.593 1.00106.06 H +ATOM 149 HD11 LEU A 11 67.266 92.006 75.224 1.00103.23 H +ATOM 150 HD12 LEU A 11 66.975 92.487 76.901 1.00103.23 H +ATOM 151 HD13 LEU A 11 68.633 92.428 76.271 1.00103.23 H +ATOM 152 HD21 LEU A 11 68.369 89.940 74.685 1.00 98.26 H +ATOM 153 HD22 LEU A 11 69.715 90.139 75.824 1.00 98.26 H +ATOM 154 HD23 LEU A 11 68.663 88.700 75.900 1.00 98.26 H +ATOM 155 N VAL A 12 70.310 89.062 80.237 1.00 72.03 N +ATOM 156 CA VAL A 12 71.106 89.020 81.481 1.00 75.84 C +ATOM 157 C VAL A 12 72.307 89.972 81.390 1.00 68.27 C +ATOM 158 O VAL A 12 72.607 90.462 80.303 1.00 67.64 O +ATOM 159 CB VAL A 12 71.561 87.578 81.812 1.00 73.89 C +ATOM 160 CG1 VAL A 12 70.378 86.676 82.151 1.00 72.65 C +ATOM 161 CG2 VAL A 12 72.352 86.886 80.700 1.00 65.87 C +ATOM 162 H VAL A 12 70.838 89.044 79.377 1.00 86.43 H +ATOM 163 HA VAL A 12 70.492 89.375 82.308 1.00 91.01 H +ATOM 164 HB VAL A 12 72.188 87.624 82.702 1.00 88.67 H +ATOM 165 HG11 VAL A 12 70.738 85.715 82.513 1.00 87.18 H +ATOM 166 HG12 VAL A 12 69.785 87.151 82.931 1.00 87.18 H +ATOM 167 HG13 VAL A 12 69.749 86.517 81.276 1.00 87.18 H +ATOM 168 HG21 VAL A 12 72.660 85.896 81.035 1.00 79.05 H +ATOM 169 HG22 VAL A 12 71.728 86.764 79.815 1.00 79.05 H +ATOM 170 HG23 VAL A 12 73.241 87.467 80.458 1.00 79.05 H +ATOM 171 N GLN A 13 73.001 90.252 82.501 1.00 61.54 N +ATOM 172 CA GLN A 13 74.182 91.133 82.537 1.00 51.05 C +ATOM 173 C GLN A 13 75.379 90.519 83.288 1.00 51.06 C +ATOM 174 O GLN A 13 75.161 89.800 84.264 1.00 54.36 O +ATOM 175 CB GLN A 13 73.809 92.488 83.151 1.00 57.77 C +ATOM 176 CG GLN A 13 72.757 93.262 82.341 1.00 71.64 C +ATOM 177 CD GLN A 13 73.217 93.635 80.932 1.00 77.59 C +ATOM 178 OE1 GLN A 13 74.358 93.456 80.538 1.00 73.96 O +ATOM 179 NE2 GLN A 13 72.353 94.204 80.124 1.00 76.83 N +ATOM 180 H GLN A 13 72.717 89.828 83.372 1.00 73.85 H +ATOM 181 HA GLN A 13 74.499 91.292 81.506 1.00 61.26 H +ATOM 182 HB2 GLN A 13 73.424 92.326 84.157 1.00 69.33 H +ATOM 183 HB3 GLN A 13 74.704 93.102 83.233 1.00 69.33 H +ATOM 184 HG2 GLN A 13 71.838 92.681 82.275 1.00 85.96 H +ATOM 185 HG3 GLN A 13 72.521 94.182 82.875 1.00 85.96 H +ATOM 186 HE21 GLN A 13 72.692 94.498 79.220 1.00 92.20 H +ATOM 187 HE22 GLN A 13 71.415 94.404 80.437 1.00 92.20 H +ATOM 188 N PRO A 14 76.638 90.783 82.873 1.00 47.76 N +ATOM 189 CA PRO A 14 77.846 90.181 83.455 1.00 47.93 C +ATOM 190 C PRO A 14 77.961 90.319 84.976 1.00 51.91 C +ATOM 191 O PRO A 14 77.552 91.325 85.553 1.00 52.31 O +ATOM 192 CB PRO A 14 79.037 90.852 82.766 1.00 41.19 C +ATOM 193 CG PRO A 14 78.469 91.257 81.415 1.00 46.35 C +ATOM 194 CD PRO A 14 77.013 91.596 81.724 1.00 49.75 C +ATOM 195 HA PRO A 14 77.850 89.123 83.194 1.00 57.51 H +ATOM 196 HB2 PRO A 14 79.337 91.746 83.310 1.00 49.43 H +ATOM 197 HB3 PRO A 14 79.879 90.170 82.658 1.00 49.43 H +ATOM 198 HG2 PRO A 14 79.001 92.110 80.996 1.00 55.62 H +ATOM 199 HG3 PRO A 14 78.517 90.409 80.734 1.00 55.62 H +ATOM 200 HD2 PRO A 14 76.924 92.650 81.981 1.00 59.70 H +ATOM 201 HD3 PRO A 14 76.409 91.370 80.846 1.00 59.70 H +ATOM 202 N GLY A 15 78.514 89.301 85.640 1.00 54.78 N +ATOM 203 CA GLY A 15 78.665 89.248 87.101 1.00 52.45 C +ATOM 204 C GLY A 15 77.365 89.136 87.916 1.00 49.69 C +ATOM 205 O GLY A 15 77.417 88.745 89.080 1.00 47.41 O +ATOM 206 H GLY A 15 78.900 88.542 85.100 1.00 65.73 H +ATOM 207 HA2 GLY A 15 79.302 88.403 87.358 1.00 62.94 H +ATOM 208 HA3 GLY A 15 79.176 90.153 87.428 1.00 62.94 H +ATOM 209 N GLY A 16 76.200 89.438 87.339 1.00 53.03 N +ATOM 210 CA GLY A 16 74.897 89.293 87.983 1.00 53.65 C +ATOM 211 C GLY A 16 74.372 87.855 87.972 1.00 57.60 C +ATOM 212 O GLY A 16 75.130 86.888 87.837 1.00 56.49 O +ATOM 213 H GLY A 16 76.216 89.787 86.392 1.00 63.63 H +ATOM 214 HA2 GLY A 16 74.949 89.633 89.017 1.00 64.38 H +ATOM 215 HA3 GLY A 16 74.181 89.925 87.460 1.00 64.38 H +ATOM 216 N SER A 17 73.052 87.712 88.094 1.00 58.11 N +ATOM 217 CA SER A 17 72.357 86.425 88.002 1.00 54.29 C +ATOM 218 C SER A 17 70.898 86.552 87.545 1.00 54.45 C +ATOM 219 O SER A 17 70.292 87.616 87.671 1.00 54.19 O +ATOM 220 CB SER A 17 72.438 85.687 89.349 1.00 58.17 C +ATOM 221 OG SER A 17 71.827 86.416 90.397 1.00 63.57 O +ATOM 222 H SER A 17 72.486 88.538 88.216 1.00 69.73 H +ATOM 223 HA SER A 17 72.880 85.843 87.245 1.00 65.14 H +ATOM 224 HB2 SER A 17 71.955 84.713 89.273 1.00 69.80 H +ATOM 225 HB3 SER A 17 73.486 85.532 89.600 1.00 69.80 H +ATOM 226 HG SER A 17 70.876 86.389 90.287 1.00 76.29 H +ATOM 227 N LEU A 18 70.317 85.457 87.045 1.00 54.71 N +ATOM 228 CA LEU A 18 68.902 85.358 86.656 1.00 51.04 C +ATOM 229 C LEU A 18 68.396 83.901 86.698 1.00 48.47 C +ATOM 230 O LEU A 18 69.184 82.957 86.749 1.00 53.53 O +ATOM 231 CB LEU A 18 68.730 86.013 85.274 1.00 57.80 C +ATOM 232 CG LEU A 18 67.274 86.123 84.776 1.00 67.68 C +ATOM 233 CD1 LEU A 18 66.953 87.511 84.225 1.00 74.97 C +ATOM 234 CD2 LEU A 18 67.010 85.097 83.674 1.00 69.02 C +ATOM 235 H LEU A 18 70.875 84.620 86.972 1.00 65.65 H +ATOM 236 HA LEU A 18 68.308 85.924 87.373 1.00 61.25 H +ATOM 237 HB2 LEU A 18 69.150 87.017 85.325 1.00 69.36 H +ATOM 238 HB3 LEU A 18 69.325 85.453 84.553 1.00 69.36 H +ATOM 239 HG LEU A 18 66.585 85.957 85.604 1.00 81.22 H +ATOM 240 HD11 LEU A 18 65.913 87.546 83.912 1.00 89.96 H +ATOM 241 HD12 LEU A 18 67.107 88.258 85.001 1.00 89.96 H +ATOM 242 HD13 LEU A 18 67.587 87.741 83.373 1.00 89.96 H +ATOM 243 HD21 LEU A 18 65.953 85.104 83.416 1.00 82.82 H +ATOM 244 HD22 LEU A 18 67.594 85.341 82.789 1.00 82.82 H +ATOM 245 HD23 LEU A 18 67.279 84.096 84.005 1.00 82.82 H +ATOM 246 N ARG A 19 67.075 83.717 86.703 1.00 46.48 N +ATOM 247 CA ARG A 19 66.382 82.438 86.857 1.00 51.82 C +ATOM 248 C ARG A 19 65.633 82.022 85.594 1.00 56.76 C +ATOM 249 O ARG A 19 64.958 82.841 84.980 1.00 55.60 O +ATOM 250 CB ARG A 19 65.425 82.595 88.046 1.00 66.16 C +ATOM 251 CG ARG A 19 64.735 81.291 88.483 1.00 71.19 C +ATOM 252 CD ARG A 19 63.780 81.514 89.664 1.00 69.06 C +ATOM 253 NE ARG A 19 64.472 82.058 90.847 1.00 71.75 N +ATOM 254 CZ ARG A 19 63.979 82.869 91.761 1.00 74.31 C +ATOM 255 NH1 ARG A 19 64.765 83.305 92.691 1.00 76.81 N +ATOM 256 NH2 ARG A 19 62.738 83.253 91.782 1.00 79.19 N +ATOM 257 H ARG A 19 66.494 84.539 86.635 1.00 55.77 H +ATOM 258 HA ARG A 19 67.108 81.660 87.093 1.00 62.18 H +ATOM 259 HB2 ARG A 19 65.996 82.984 88.888 1.00 79.39 H +ATOM 260 HB3 ARG A 19 64.661 83.328 87.794 1.00 79.39 H +ATOM 261 HG2 ARG A 19 64.154 80.892 87.653 1.00 85.43 H +ATOM 262 HG3 ARG A 19 65.485 80.554 88.766 1.00 85.43 H +ATOM 263 HD2 ARG A 19 62.995 82.197 89.341 1.00 82.87 H +ATOM 264 HD3 ARG A 19 63.320 80.562 89.924 1.00 82.87 H +ATOM 265 HE ARG A 19 65.445 81.829 90.985 1.00 86.10 H +ATOM 266 HH11 ARG A 19 65.725 82.993 92.668 1.00 92.18 H +ATOM 267 HH12 ARG A 19 64.428 83.927 93.410 1.00 92.18 H +ATOM 268 HH21 ARG A 19 62.103 82.903 91.080 1.00 95.02 H +ATOM 269 HH22 ARG A 19 62.409 83.862 92.515 1.00 95.02 H +ATOM 270 N LEU A 20 65.670 80.728 85.285 1.00 63.58 N +ATOM 271 CA LEU A 20 64.747 80.046 84.374 1.00 63.01 C +ATOM 272 C LEU A 20 63.896 79.023 85.123 1.00 57.50 C +ATOM 273 O LEU A 20 64.290 78.482 86.153 1.00 61.56 O +ATOM 274 CB LEU A 20 65.499 79.329 83.245 1.00 63.16 C +ATOM 275 CG LEU A 20 66.113 80.232 82.168 1.00 69.19 C +ATOM 276 CD1 LEU A 20 66.551 79.364 80.986 1.00 61.77 C +ATOM 277 CD2 LEU A 20 65.113 81.244 81.615 1.00 73.61 C +ATOM 278 H LEU A 20 66.237 80.135 85.873 1.00 76.30 H +ATOM 279 HA LEU A 20 64.048 80.765 83.947 1.00 75.61 H +ATOM 280 HB2 LEU A 20 66.284 78.710 83.678 1.00 75.79 H +ATOM 281 HB3 LEU A 20 64.795 78.662 82.748 1.00 75.79 H +ATOM 282 HG LEU A 20 66.974 80.757 82.577 1.00 83.03 H +ATOM 283 HD11 LEU A 20 67.076 79.974 80.252 1.00 74.12 H +ATOM 284 HD12 LEU A 20 67.217 78.574 81.328 1.00 74.12 H +ATOM 285 HD13 LEU A 20 65.685 78.906 80.513 1.00 74.12 H +ATOM 286 HD21 LEU A 20 65.545 81.732 80.743 1.00 88.33 H +ATOM 287 HD22 LEU A 20 64.189 80.743 81.331 1.00 88.33 H +ATOM 288 HD23 LEU A 20 64.908 82.009 82.362 1.00 88.33 H +ATOM 289 N SER A 21 62.707 78.753 84.603 1.00 63.02 N +ATOM 290 CA SER A 21 61.733 77.884 85.252 1.00 64.35 C +ATOM 291 C SER A 21 60.811 77.195 84.256 1.00 64.56 C +ATOM 292 O SER A 21 60.581 77.715 83.165 1.00 70.75 O +ATOM 293 CB SER A 21 60.902 78.727 86.211 1.00 70.33 C +ATOM 294 OG SER A 21 60.137 79.662 85.483 1.00 68.91 O +ATOM 295 H SER A 21 62.426 79.224 83.756 1.00 75.63 H +ATOM 296 HA SER A 21 62.259 77.114 85.816 1.00 77.22 H +ATOM 297 HB2 SER A 21 60.235 78.079 86.778 1.00 84.40 H +ATOM 298 HB3 SER A 21 61.563 79.253 86.898 1.00 84.40 H +ATOM 299 HG SER A 21 60.714 80.097 84.853 1.00 82.70 H +ATOM 300 N CYS A 22 60.257 76.050 84.654 1.00 65.69 N +ATOM 301 CA CYS A 22 59.407 75.189 83.833 1.00 61.86 C +ATOM 302 C CYS A 22 58.204 74.687 84.627 1.00 63.90 C +ATOM 303 O CYS A 22 58.364 74.280 85.775 1.00 68.12 O +ATOM 304 CB CYS A 22 60.240 73.999 83.355 1.00 61.57 C +ATOM 305 SG CYS A 22 61.636 74.591 82.374 1.00 58.47 S +ATOM 306 H CYS A 22 60.524 75.694 85.561 1.00 78.83 H +ATOM 307 HA CYS A 22 59.044 75.733 82.961 1.00 74.23 H +ATOM 308 HB2 CYS A 22 60.610 73.440 84.214 1.00 73.89 H +ATOM 309 HB3 CYS A 22 59.627 73.340 82.741 1.00 73.89 H +ATOM 310 HG CYS A 22 60.890 74.887 81.314 1.00 70.17 H +ATOM 311 N ALA A 23 57.014 74.670 84.033 1.00 60.40 N +ATOM 312 CA ALA A 23 55.767 74.240 84.658 1.00 63.25 C +ATOM 313 C ALA A 23 54.999 73.252 83.766 1.00 66.27 C +ATOM 314 O ALA A 23 54.932 73.439 82.555 1.00 64.41 O +ATOM 315 CB ALA A 23 54.923 75.485 84.942 1.00 68.45 C +ATOM 316 H ALA A 23 56.938 75.049 83.101 1.00 72.47 H +ATOM 317 HA ALA A 23 55.985 73.742 85.602 1.00 75.90 H +ATOM 318 HB1 ALA A 23 54.021 75.201 85.482 1.00 82.14 H +ATOM 319 HB2 ALA A 23 55.485 76.201 85.540 1.00 82.14 H +ATOM 320 HB3 ALA A 23 54.640 75.962 84.004 1.00 82.14 H +ATOM 321 N ALA A 24 54.405 72.210 84.351 1.00 71.36 N +ATOM 322 CA ALA A 24 53.628 71.197 83.629 1.00 72.52 C +ATOM 323 C ALA A 24 52.132 71.531 83.502 1.00 74.47 C +ATOM 324 O ALA A 24 51.565 72.211 84.357 1.00 78.84 O +ATOM 325 CB ALA A 24 53.821 69.850 84.323 1.00 72.59 C +ATOM 326 H ALA A 24 54.471 72.126 85.354 1.00 85.63 H +ATOM 327 HA ALA A 24 54.020 71.110 82.616 1.00 87.03 H +ATOM 328 HB1 ALA A 24 53.275 69.078 83.783 1.00 87.11 H +ATOM 329 HB2 ALA A 24 54.878 69.590 84.339 1.00 87.11 H +ATOM 330 HB3 ALA A 24 53.435 69.900 85.340 1.00 87.11 H +ATOM 331 N SER A 25 51.474 71.016 82.459 1.00 73.34 N +ATOM 332 CA SER A 25 50.033 71.182 82.235 1.00 75.37 C +ATOM 333 C SER A 25 49.431 69.999 81.468 1.00 77.56 C +ATOM 334 O SER A 25 50.128 69.285 80.744 1.00 78.66 O +ATOM 335 CB SER A 25 49.769 72.509 81.513 1.00 81.74 C +ATOM 336 OG SER A 25 50.183 72.457 80.160 1.00 79.55 O +ATOM 337 H SER A 25 51.979 70.476 81.772 1.00 88.00 H +ATOM 338 HA SER A 25 49.532 71.228 83.202 1.00 90.45 H +ATOM 339 HB2 SER A 25 48.703 72.730 81.546 1.00 98.09 H +ATOM 340 HB3 SER A 25 50.300 73.310 82.024 1.00 98.09 H +ATOM 341 HG SER A 25 51.033 72.015 80.118 1.00 95.46 H +ATOM 342 N GLY A 26 48.129 69.771 81.637 1.00 79.89 N +ATOM 343 CA GLY A 26 47.383 68.664 81.022 1.00 84.83 C +ATOM 344 C GLY A 26 47.639 67.281 81.648 1.00 84.36 C +ATOM 345 O GLY A 26 46.772 66.413 81.539 1.00 86.25 O +ATOM 346 H GLY A 26 47.615 70.390 82.246 1.00 95.87 H +ATOM 347 HA2 GLY A 26 46.317 68.875 81.097 1.00101.79 H +ATOM 348 HA3 GLY A 26 47.639 68.609 79.965 1.00101.79 H +ATOM 349 N PHE A 27 48.761 67.088 82.357 1.00 74.94 N +ATOM 350 CA PHE A 27 49.047 65.912 83.187 1.00 79.90 C +ATOM 351 C PHE A 27 49.347 66.311 84.640 1.00 71.01 C +ATOM 352 O PHE A 27 49.843 67.405 84.915 1.00 69.33 O +ATOM 353 CB PHE A 27 50.118 65.011 82.531 1.00 86.70 C +ATOM 354 CG PHE A 27 51.601 65.274 82.818 1.00 92.66 C +ATOM 355 CD1 PHE A 27 52.252 66.403 82.281 1.00 84.47 C +ATOM 356 CD2 PHE A 27 52.360 64.340 83.562 1.00 83.61 C +ATOM 357 CE1 PHE A 27 53.627 66.605 82.517 1.00 67.58 C +ATOM 358 CE2 PHE A 27 53.737 64.537 83.778 1.00 82.26 C +ATOM 359 CZ PHE A 27 54.368 65.679 83.268 1.00 71.15 C +ATOM 360 H PHE A 27 49.434 67.840 82.378 1.00 89.92 H +ATOM 361 HA PHE A 27 48.139 65.311 83.229 1.00 95.88 H +ATOM 362 HB2 PHE A 27 49.903 63.991 82.847 1.00104.03 H +ATOM 363 HB3 PHE A 27 49.972 65.025 81.452 1.00104.03 H +ATOM 364 HD1 PHE A 27 51.701 67.110 81.681 1.00101.36 H +ATOM 365 HD2 PHE A 27 51.886 63.454 83.957 1.00100.33 H +ATOM 366 HE1 PHE A 27 54.118 67.475 82.107 1.00 81.09 H +ATOM 367 HE2 PHE A 27 54.307 63.804 84.329 1.00 98.71 H +ATOM 368 HZ PHE A 27 55.422 65.839 83.437 1.00 85.38 H +ATOM 369 N SER A 28 49.026 65.432 85.588 1.00 72.69 N +ATOM 370 CA SER A 28 49.379 65.605 87.001 1.00 71.52 C +ATOM 371 C SER A 28 50.823 65.166 87.230 1.00 73.22 C +ATOM 372 O SER A 28 51.095 64.038 87.638 1.00 78.70 O +ATOM 373 CB SER A 28 48.417 64.837 87.908 1.00 73.22 C +ATOM 374 OG SER A 28 47.125 65.406 87.804 1.00 76.64 O +ATOM 375 H SER A 28 48.578 64.572 85.313 1.00 87.22 H +ATOM 376 HA SER A 28 49.303 66.658 87.271 1.00 85.83 H +ATOM 377 HB2 SER A 28 48.384 63.789 87.614 1.00 87.87 H +ATOM 378 HB3 SER A 28 48.756 64.909 88.940 1.00 87.87 H +ATOM 379 HG SER A 28 46.539 64.922 88.388 1.00 91.97 H +ATOM 380 N PHE A 29 51.760 66.061 86.924 1.00 75.87 N +ATOM 381 CA PHE A 29 53.206 65.821 86.962 1.00 70.06 C +ATOM 382 C PHE A 29 53.700 65.408 88.355 1.00 71.18 C +ATOM 383 O PHE A 29 54.547 64.523 88.456 1.00 68.91 O +ATOM 384 CB PHE A 29 53.861 67.096 86.430 1.00 69.72 C +ATOM 385 CG PHE A 29 55.366 67.221 86.499 1.00 65.27 C +ATOM 386 CD1 PHE A 29 56.211 66.125 86.271 1.00 60.05 C +ATOM 387 CD2 PHE A 29 55.927 68.495 86.691 1.00 67.88 C +ATOM 388 CE1 PHE A 29 57.607 66.305 86.237 1.00 59.03 C +ATOM 389 CE2 PHE A 29 57.311 68.681 86.610 1.00 63.05 C +ATOM 390 CZ PHE A 29 58.157 67.586 86.391 1.00 58.60 C +ATOM 391 H PHE A 29 51.443 66.946 86.557 1.00 91.04 H +ATOM 392 HA PHE A 29 53.443 64.997 86.291 1.00 84.07 H +ATOM 393 HB2 PHE A 29 53.567 67.208 85.387 1.00 83.66 H +ATOM 394 HB3 PHE A 29 53.438 67.947 86.964 1.00 83.66 H +ATOM 395 HD1 PHE A 29 55.787 65.151 86.078 1.00 72.06 H +ATOM 396 HD2 PHE A 29 55.288 69.354 86.833 1.00 81.45 H +ATOM 397 HE1 PHE A 29 58.262 65.470 86.040 1.00 70.83 H +ATOM 398 HE2 PHE A 29 57.713 69.681 86.668 1.00 75.66 H +ATOM 399 HZ PHE A 29 59.224 67.732 86.318 1.00 70.32 H +ATOM 400 N SER A 30 53.089 65.965 89.406 1.00 71.17 N +ATOM 401 CA SER A 30 52.961 65.439 90.777 1.00 74.31 C +ATOM 402 C SER A 30 54.251 65.156 91.568 1.00 78.71 C +ATOM 403 O SER A 30 54.429 65.728 92.643 1.00 76.00 O +ATOM 404 CB SER A 30 52.037 64.218 90.759 1.00 73.85 C +ATOM 405 OG SER A 30 51.787 63.741 92.067 1.00 83.14 O +ATOM 406 H SER A 30 52.515 66.767 89.195 1.00 85.40 H +ATOM 407 HA SER A 30 52.436 66.207 91.343 1.00 89.17 H +ATOM 408 HB2 SER A 30 51.091 64.486 90.289 1.00 88.62 H +ATOM 409 HB3 SER A 30 52.502 63.425 90.174 1.00 88.62 H +ATOM 410 HG SER A 30 51.138 64.315 92.479 1.00 99.77 H +ATOM 411 N SER A 31 55.161 64.309 91.073 1.00 73.66 N +ATOM 412 CA SER A 31 56.424 63.938 91.743 1.00 69.01 C +ATOM 413 C SER A 31 57.555 63.508 90.808 1.00 64.94 C +ATOM 414 O SER A 31 58.654 63.240 91.287 1.00 66.44 O +ATOM 415 CB SER A 31 56.176 62.799 92.736 1.00 69.64 C +ATOM 416 OG SER A 31 55.862 61.593 92.059 1.00 67.51 O +ATOM 417 H SER A 31 54.942 63.881 90.186 1.00 88.39 H +ATOM 418 HA SER A 31 56.787 64.796 92.308 1.00 82.81 H +ATOM 419 HB2 SER A 31 57.060 62.650 93.354 1.00 83.57 H +ATOM 420 HB3 SER A 31 55.348 63.070 93.389 1.00 83.57 H +ATOM 421 HG SER A 31 56.680 61.150 91.827 1.00 81.02 H +ATOM 422 N TYR A 32 57.321 63.383 89.502 1.00 64.45 N +ATOM 423 CA TYR A 32 58.328 62.859 88.577 1.00 57.63 C +ATOM 424 C TYR A 32 59.606 63.722 88.553 1.00 47.50 C +ATOM 425 O TYR A 32 59.530 64.943 88.440 1.00 51.81 O +ATOM 426 CB TYR A 32 57.699 62.768 87.186 1.00 65.76 C +ATOM 427 CG TYR A 32 56.687 61.653 86.966 1.00 70.85 C +ATOM 428 CD1 TYR A 32 57.093 60.312 87.072 1.00 71.95 C +ATOM 429 CD2 TYR A 32 55.373 61.940 86.550 1.00 64.23 C +ATOM 430 CE1 TYR A 32 56.233 59.267 86.699 1.00 75.72 C +ATOM 431 CE2 TYR A 32 54.497 60.895 86.193 1.00 67.39 C +ATOM 432 CZ TYR A 32 54.936 59.554 86.245 1.00 73.09 C +ATOM 433 OH TYR A 32 54.123 58.536 85.865 1.00 74.37 O +ATOM 434 H TYR A 32 56.418 63.636 89.129 1.00 77.34 H +ATOM 435 HA TYR A 32 58.609 61.856 88.897 1.00 69.15 H +ATOM 436 HB2 TYR A 32 57.214 63.720 86.977 1.00 78.91 H +ATOM 437 HB3 TYR A 32 58.494 62.655 86.450 1.00 78.91 H +ATOM 438 HD1 TYR A 32 58.087 60.075 87.418 1.00 86.35 H +ATOM 439 HD2 TYR A 32 55.039 62.964 86.475 1.00 77.07 H +ATOM 440 HE1 TYR A 32 56.563 58.241 86.753 1.00 90.86 H +ATOM 441 HE2 TYR A 32 53.496 61.122 85.860 1.00 80.87 H +ATOM 442 HH TYR A 32 53.238 58.847 85.669 1.00 89.24 H +ATOM 443 N ALA A 33 60.776 63.095 88.655 1.00 37.74 N +ATOM 444 CA ALA A 33 62.088 63.730 88.615 1.00 34.47 C +ATOM 445 C ALA A 33 62.325 64.528 87.325 1.00 38.51 C +ATOM 446 O ALA A 33 61.746 64.211 86.288 1.00 43.73 O +ATOM 447 CB ALA A 33 63.141 62.631 88.773 1.00 35.93 C +ATOM 448 H ALA A 33 60.759 62.088 88.727 1.00 45.29 H +ATOM 449 HA ALA A 33 62.163 64.417 89.458 1.00 41.36 H +ATOM 450 HB1 ALA A 33 64.130 63.080 88.827 1.00 43.11 H +ATOM 451 HB2 ALA A 33 62.957 62.069 89.686 1.00 43.11 H +ATOM 452 HB3 ALA A 33 63.107 61.952 87.924 1.00 43.11 H +ATOM 453 N MET A 34 63.199 65.539 87.362 1.00 32.63 N +ATOM 454 CA MET A 34 63.425 66.434 86.223 1.00 35.42 C +ATOM 455 C MET A 34 64.904 66.735 85.941 1.00 31.50 C +ATOM 456 O MET A 34 65.671 66.991 86.862 1.00 31.91 O +ATOM 457 CB MET A 34 62.654 67.732 86.447 1.00 38.34 C +ATOM 458 CG MET A 34 62.468 68.485 85.130 1.00 48.60 C +ATOM 459 SD MET A 34 61.689 70.114 85.270 1.00 71.87 S +ATOM 460 CE MET A 34 63.131 71.166 85.545 1.00 63.36 C +ATOM 461 H MET A 34 63.708 65.718 88.215 1.00 39.15 H +ATOM 462 HA MET A 34 63.018 65.961 85.330 1.00 42.50 H +ATOM 463 HB2 MET A 34 61.668 67.510 86.853 1.00 46.01 H +ATOM 464 HB3 MET A 34 63.195 68.358 87.155 1.00 46.01 H +ATOM 465 HG2 MET A 34 63.428 68.612 84.633 1.00 58.31 H +ATOM 466 HG3 MET A 34 61.836 67.873 84.487 1.00 58.31 H +ATOM 467 HE1 MET A 34 63.565 70.938 86.517 1.00 76.04 H +ATOM 468 HE2 MET A 34 63.875 70.984 84.771 1.00 76.04 H +ATOM 469 HE3 MET A 34 62.830 72.211 85.514 1.00 76.04 H +ATOM 470 N SER A 35 65.293 66.790 84.667 1.00 29.07 N +ATOM 471 CA SER A 35 66.658 67.097 84.217 1.00 27.59 C +ATOM 472 C SER A 35 66.683 68.283 83.241 1.00 35.50 C +ATOM 473 O SER A 35 65.740 68.472 82.474 1.00 33.77 O +ATOM 474 CB SER A 35 67.282 65.860 83.570 1.00 27.09 C +ATOM 475 OG SER A 35 67.408 64.786 84.489 1.00 31.15 O +ATOM 476 H SER A 35 64.605 66.593 83.956 1.00 34.88 H +ATOM 477 HA SER A 35 67.276 67.363 85.074 1.00 33.11 H +ATOM 478 HB2 SER A 35 66.657 65.550 82.734 1.00 32.51 H +ATOM 479 HB3 SER A 35 68.269 66.114 83.185 1.00 32.51 H +ATOM 480 HG SER A 35 67.302 63.976 83.991 1.00 37.39 H +ATOM 481 N TRP A 36 67.763 69.070 83.254 1.00 34.09 N +ATOM 482 CA TRP A 36 67.983 70.289 82.454 1.00 30.33 C +ATOM 483 C TRP A 36 68.956 70.055 81.308 1.00 28.50 C +ATOM 484 O TRP A 36 69.961 69.376 81.510 1.00 33.33 O +ATOM 485 CB TRP A 36 68.585 71.375 83.346 1.00 30.79 C +ATOM 486 CG TRP A 36 67.621 72.008 84.275 1.00 33.64 C +ATOM 487 CD1 TRP A 36 67.153 71.446 85.403 1.00 39.71 C +ATOM 488 CD2 TRP A 36 66.898 73.261 84.110 1.00 30.25 C +ATOM 489 NE1 TRP A 36 66.188 72.264 85.948 1.00 46.99 N +ATOM 490 CE2 TRP A 36 65.943 73.363 85.158 1.00 39.01 C +ATOM 491 CE3 TRP A 36 66.916 74.301 83.162 1.00 33.41 C +ATOM 492 CZ2 TRP A 36 65.016 74.412 85.234 1.00 50.90 C +ATOM 493 CZ3 TRP A 36 66.001 75.368 83.233 1.00 43.05 C +ATOM 494 CH2 TRP A 36 65.042 75.419 84.259 1.00 50.33 C +ATOM 495 H TRP A 36 68.521 68.781 83.854 1.00 40.91 H +ATOM 496 HA TRP A 36 67.042 70.651 82.041 1.00 36.40 H +ATOM 497 HB2 TRP A 36 69.418 70.967 83.916 1.00 36.95 H +ATOM 498 HB3 TRP A 36 68.975 72.171 82.712 1.00 36.95 H +ATOM 499 HD1 TRP A 36 67.459 70.490 85.797 1.00 47.65 H +ATOM 500 HE1 TRP A 36 65.708 72.052 86.809 1.00 56.39 H +ATOM 501 HE3 TRP A 36 67.622 74.255 82.347 1.00 40.09 H +ATOM 502 HZ2 TRP A 36 64.288 74.437 86.031 1.00 61.08 H +ATOM 503 HZ3 TRP A 36 66.020 76.143 82.483 1.00 51.66 H +ATOM 504 HH2 TRP A 36 64.330 76.230 84.296 1.00 60.39 H +ATOM 505 N VAL A 37 68.726 70.669 80.150 1.00 23.04 N +ATOM 506 CA VAL A 37 69.563 70.541 78.948 1.00 23.36 C +ATOM 507 C VAL A 37 69.680 71.867 78.183 1.00 24.56 C +ATOM 508 O VAL A 37 68.745 72.663 78.166 1.00 24.07 O +ATOM 509 CB VAL A 37 68.990 69.402 78.088 1.00 22.80 C +ATOM 510 CG1 VAL A 37 69.204 69.517 76.580 1.00 28.99 C +ATOM 511 CG2 VAL A 37 69.526 68.039 78.551 1.00 21.35 C +ATOM 512 H VAL A 37 67.880 71.211 80.055 1.00 27.65 H +ATOM 513 HA VAL A 37 70.575 70.269 79.248 1.00 28.03 H +ATOM 514 HB VAL A 37 67.909 69.410 78.228 1.00 27.36 H +ATOM 515 HG11 VAL A 37 68.739 68.663 76.089 1.00 34.78 H +ATOM 516 HG12 VAL A 37 68.723 70.419 76.203 1.00 34.78 H +ATOM 517 HG13 VAL A 37 70.261 69.537 76.318 1.00 34.78 H +ATOM 518 HG21 VAL A 37 69.217 67.249 77.868 1.00 25.63 H +ATOM 519 HG22 VAL A 37 70.614 68.044 78.582 1.00 25.63 H +ATOM 520 HG23 VAL A 37 69.144 67.806 79.544 1.00 25.63 H +ATOM 521 N ARG A 38 70.828 72.113 77.535 1.00 26.69 N +ATOM 522 CA ARG A 38 71.134 73.310 76.721 1.00 27.72 C +ATOM 523 C ARG A 38 71.032 73.003 75.229 1.00 30.16 C +ATOM 524 O ARG A 38 71.350 71.892 74.815 1.00 29.13 O +ATOM 525 CB ARG A 38 72.544 73.838 77.071 1.00 28.82 C +ATOM 526 CG ARG A 38 73.002 75.019 76.194 1.00 31.25 C +ATOM 527 CD ARG A 38 74.407 75.543 76.484 1.00 28.91 C +ATOM 528 NE ARG A 38 74.524 76.150 77.815 1.00 27.57 N +ATOM 529 CZ ARG A 38 75.264 75.732 78.818 1.00 32.52 C +ATOM 530 NH1 ARG A 38 75.292 76.435 79.908 1.00 30.63 N +ATOM 531 NH2 ARG A 38 75.961 74.637 78.782 1.00 37.76 N +ATOM 532 H ARG A 38 71.515 71.374 77.548 1.00 32.03 H +ATOM 533 HA ARG A 38 70.412 74.096 76.940 1.00 33.26 H +ATOM 534 HB2 ARG A 38 72.547 74.164 78.111 1.00 34.59 H +ATOM 535 HB3 ARG A 38 73.265 73.029 76.969 1.00 34.59 H +ATOM 536 HG2 ARG A 38 73.030 74.702 75.152 1.00 37.50 H +ATOM 537 HG3 ARG A 38 72.291 75.838 76.294 1.00 37.50 H +ATOM 538 HD2 ARG A 38 75.127 74.737 76.347 1.00 34.69 H +ATOM 539 HD3 ARG A 38 74.643 76.301 75.737 1.00 34.69 H +ATOM 540 HE ARG A 38 74.026 77.013 77.971 1.00 33.09 H +ATOM 541 HH11 ARG A 38 74.754 77.286 79.969 1.00 36.76 H +ATOM 542 HH12 ARG A 38 75.832 76.132 80.704 1.00 36.76 H +ATOM 543 HH21 ARG A 38 75.949 74.046 77.964 1.00 45.31 H +ATOM 544 HH22 ARG A 38 76.530 74.370 79.570 1.00 45.31 H +ATOM 545 N GLN A 39 70.698 74.009 74.420 1.00 31.76 N +ATOM 546 CA GLN A 39 70.929 74.042 72.971 1.00 34.95 C +ATOM 547 C GLN A 39 71.653 75.336 72.561 1.00 37.63 C +ATOM 548 O GLN A 39 71.581 76.352 73.251 1.00 41.00 O +ATOM 549 CB GLN A 39 69.604 73.824 72.209 1.00 35.74 C +ATOM 550 CG GLN A 39 69.766 73.790 70.676 1.00 34.61 C +ATOM 551 CD GLN A 39 68.554 73.219 69.944 1.00 32.84 C +ATOM 552 OE1 GLN A 39 67.411 73.530 70.245 1.00 32.15 O +ATOM 553 NE2 GLN A 39 68.745 72.420 68.922 1.00 33.43 N +ATOM 554 H GLN A 39 70.455 74.888 74.855 1.00 38.12 H +ATOM 555 HA GLN A 39 71.589 73.216 72.709 1.00 41.94 H +ATOM 556 HB2 GLN A 39 69.192 72.867 72.528 1.00 42.89 H +ATOM 557 HB3 GLN A 39 68.895 74.606 72.475 1.00 42.89 H +ATOM 558 HG2 GLN A 39 69.928 74.801 70.305 1.00 41.54 H +ATOM 559 HG3 GLN A 39 70.643 73.195 70.420 1.00 41.54 H +ATOM 560 HE21 GLN A 39 67.939 72.046 68.444 1.00 40.12 H +ATOM 561 HE22 GLN A 39 69.682 72.114 68.702 1.00 40.12 H +ATOM 562 N ALA A 40 72.347 75.291 71.428 1.00 37.50 N +ATOM 563 CA ALA A 40 73.032 76.404 70.777 1.00 34.73 C +ATOM 564 C ALA A 40 72.735 76.385 69.264 1.00 35.20 C +ATOM 565 O ALA A 40 72.212 75.386 68.764 1.00 40.36 O +ATOM 566 CB ALA A 40 74.532 76.268 71.073 1.00 37.64 C +ATOM 567 H ALA A 40 72.339 74.426 70.908 1.00 45.00 H +ATOM 568 HA ALA A 40 72.674 77.346 71.190 1.00 41.68 H +ATOM 569 HB1 ALA A 40 75.092 77.073 70.605 1.00 45.17 H +ATOM 570 HB2 ALA A 40 74.696 76.316 72.145 1.00 45.17 H +ATOM 571 HB3 ALA A 40 74.903 75.319 70.699 1.00 45.17 H +ATOM 572 N PRO A 41 73.047 77.444 68.503 1.00 32.01 N +ATOM 573 CA PRO A 41 72.875 77.444 67.055 1.00 27.40 C +ATOM 574 C PRO A 41 73.623 76.293 66.371 1.00 37.07 C +ATOM 575 O PRO A 41 74.786 76.027 66.666 1.00 40.68 O +ATOM 576 CB PRO A 41 73.386 78.808 66.581 1.00 62.11 C +ATOM 577 CG PRO A 41 73.200 79.699 67.804 1.00 24.93 C +ATOM 578 CD PRO A 41 73.493 78.747 68.958 1.00 33.70 C +ATOM 579 HA PRO A 41 71.811 77.370 66.835 1.00 32.88 H +ATOM 580 HB2 PRO A 41 74.446 78.758 66.338 1.00 74.53 H +ATOM 581 HB3 PRO A 41 72.819 79.174 65.726 1.00 74.53 H +ATOM 582 HG2 PRO A 41 73.882 80.547 67.796 1.00 29.92 H +ATOM 583 HG3 PRO A 41 72.165 80.034 67.859 1.00 29.92 H +ATOM 584 HD2 PRO A 41 74.566 78.723 69.142 1.00 40.44 H +ATOM 585 HD3 PRO A 41 72.962 79.071 69.852 1.00 40.44 H +ATOM 586 N GLY A 42 72.972 75.617 65.431 1.00 36.34 N +ATOM 587 CA GLY A 42 73.614 74.623 64.565 1.00 41.68 C +ATOM 588 C GLY A 42 74.043 73.308 65.231 1.00 44.37 C +ATOM 589 O GLY A 42 74.843 72.573 64.653 1.00 49.11 O +ATOM 590 H GLY A 42 72.015 75.870 65.234 1.00 43.61 H +ATOM 591 HA2 GLY A 42 72.916 74.370 63.770 1.00 50.02 H +ATOM 592 HA3 GLY A 42 74.493 75.071 64.106 1.00 50.02 H +ATOM 593 N LYS A 43 73.526 72.983 66.419 1.00 44.48 N +ATOM 594 CA LYS A 43 73.783 71.720 67.138 1.00 45.87 C +ATOM 595 C LYS A 43 72.495 71.151 67.746 1.00 42.45 C +ATOM 596 O LYS A 43 71.497 71.852 67.913 1.00 40.07 O +ATOM 597 CB LYS A 43 74.850 71.934 68.233 1.00 53.99 C +ATOM 598 CG LYS A 43 76.258 72.317 67.749 1.00 62.15 C +ATOM 599 CD LYS A 43 76.951 71.181 66.990 1.00 56.92 C +ATOM 600 CE LYS A 43 78.332 71.629 66.509 1.00 63.09 C +ATOM 601 NZ LYS A 43 79.024 70.538 65.781 1.00 71.63 N +ATOM 602 H LYS A 43 72.879 73.636 66.835 1.00 53.37 H +ATOM 603 HA LYS A 43 74.141 70.969 66.434 1.00 55.05 H +ATOM 604 HB2 LYS A 43 74.502 72.722 68.900 1.00 64.78 H +ATOM 605 HB3 LYS A 43 74.940 71.027 68.830 1.00 64.78 H +ATOM 606 HG2 LYS A 43 76.203 73.203 67.118 1.00 74.58 H +ATOM 607 HG3 LYS A 43 76.861 72.564 68.622 1.00 74.58 H +ATOM 608 HD2 LYS A 43 77.057 70.324 67.654 1.00 68.30 H +ATOM 609 HD3 LYS A 43 76.353 70.892 66.127 1.00 68.30 H +ATOM 610 HE2 LYS A 43 78.216 72.496 65.861 1.00 75.70 H +ATOM 611 HE3 LYS A 43 78.917 71.933 67.376 1.00 75.70 H +ATOM 612 HZ1 LYS A 43 79.942 70.825 65.482 1.00 85.96 H +ATOM 613 HZ2 LYS A 43 79.134 69.726 66.365 1.00 85.96 H +ATOM 614 HZ3 LYS A 43 78.513 70.264 64.958 1.00 85.96 H +ATOM 615 N GLY A 44 72.526 69.871 68.101 1.00 39.83 N +ATOM 616 CA GLY A 44 71.438 69.201 68.808 1.00 29.66 C +ATOM 617 C GLY A 44 71.289 69.680 70.251 1.00 20.29 C +ATOM 618 O GLY A 44 70.597 70.656 70.510 1.00 32.67 O +ATOM 619 H GLY A 44 73.373 69.352 67.923 1.00 47.80 H +ATOM 620 HA2 GLY A 44 70.497 69.388 68.292 1.00 35.59 H +ATOM 621 HA3 GLY A 44 71.607 68.125 68.802 1.00 35.59 H +ATOM 622 N LEU A 45 71.879 68.954 71.202 1.00 19.47 N +ATOM 623 CA LEU A 45 71.549 69.029 72.629 1.00 14.72 C +ATOM 624 C LEU A 45 72.745 68.660 73.538 1.00 24.08 C +ATOM 625 O LEU A 45 73.650 67.948 73.110 1.00 19.46 O +ATOM 626 CB LEU A 45 70.355 68.076 72.872 1.00 17.67 C +ATOM 627 CG LEU A 45 69.017 68.485 72.226 1.00 1.92 C +ATOM 628 CD1 LEU A 45 67.986 67.374 72.350 1.00 0.28 C +ATOM 629 CD2 LEU A 45 68.452 69.740 72.878 1.00 16.27 C +ATOM 630 H LEU A 45 72.491 68.203 70.919 1.00 23.37 H +ATOM 631 HA LEU A 45 71.263 70.049 72.887 1.00 17.66 H +ATOM 632 HB2 LEU A 45 70.630 67.091 72.500 1.00 21.20 H +ATOM 633 HB3 LEU A 45 70.197 67.984 73.945 1.00 21.20 H +ATOM 634 HG LEU A 45 69.136 68.664 71.158 1.00 2.30 H +ATOM 635 HD11 LEU A 45 66.979 67.762 72.206 1.00 0.34 H +ATOM 636 HD12 LEU A 45 68.174 66.645 71.563 1.00 0.34 H +ATOM 637 HD13 LEU A 45 68.041 66.909 73.334 1.00 0.34 H +ATOM 638 HD21 LEU A 45 67.548 70.056 72.358 1.00 19.53 H +ATOM 639 HD22 LEU A 45 68.209 69.538 73.920 1.00 19.53 H +ATOM 640 HD23 LEU A 45 69.176 70.552 72.822 1.00 19.53 H +ATOM 641 N GLU A 46 72.744 69.098 74.803 1.00 19.58 N +ATOM 642 CA GLU A 46 73.662 68.635 75.865 1.00 18.22 C +ATOM 643 C GLU A 46 73.079 68.730 77.293 1.00 22.34 C +ATOM 644 O GLU A 46 72.280 69.610 77.599 1.00 23.91 O +ATOM 645 CB GLU A 46 74.984 69.410 75.804 1.00 19.47 C +ATOM 646 CG GLU A 46 74.817 70.887 76.196 1.00 22.51 C +ATOM 647 CD GLU A 46 76.119 71.680 76.122 1.00 28.98 C +ATOM 648 OE1 GLU A 46 77.034 71.293 75.364 1.00 39.15 O +ATOM 649 OE2 GLU A 46 76.229 72.718 76.810 1.00 29.02 O +ATOM 650 H GLU A 46 72.043 69.774 75.068 1.00 23.50 H +ATOM 651 HA GLU A 46 73.893 67.586 75.681 1.00 21.87 H +ATOM 652 HB2 GLU A 46 75.695 68.944 76.484 1.00 23.37 H +ATOM 653 HB3 GLU A 46 75.387 69.340 74.795 1.00 23.37 H +ATOM 654 HG2 GLU A 46 74.091 71.349 75.530 1.00 27.02 H +ATOM 655 HG3 GLU A 46 74.441 70.951 77.215 1.00 27.02 H +ATOM 656 N TRP A 47 73.562 67.873 78.196 1.00 25.47 N +ATOM 657 CA TRP A 47 73.358 67.931 79.652 1.00 28.84 C +ATOM 658 C TRP A 47 73.527 69.346 80.206 1.00 40.22 C +ATOM 659 O TRP A 47 74.489 70.029 79.865 1.00 41.73 O +ATOM 660 CB TRP A 47 74.424 67.022 80.300 1.00 31.29 C +ATOM 661 CG TRP A 47 74.579 66.955 81.806 1.00 41.90 C +ATOM 662 CD1 TRP A 47 74.160 65.907 82.547 1.00 40.32 C +ATOM 663 CD2 TRP A 47 75.290 67.828 82.761 1.00 36.53 C +ATOM 664 NE1 TRP A 47 74.569 66.051 83.857 1.00 46.92 N +ATOM 665 CE2 TRP A 47 75.283 67.204 84.047 1.00 41.00 C +ATOM 666 CE3 TRP A 47 75.969 69.061 82.689 1.00 35.27 C +ATOM 667 CZ2 TRP A 47 75.918 67.737 85.173 1.00 30.94 C +ATOM 668 CZ3 TRP A 47 76.575 69.633 83.826 1.00 32.15 C +ATOM 669 CH2 TRP A 47 76.560 68.973 85.066 1.00 22.84 C +ATOM 670 H TRP A 47 74.217 67.181 77.865 1.00 30.57 H +ATOM 671 HA TRP A 47 72.368 67.555 79.909 1.00 34.61 H +ATOM 672 HB2 TRP A 47 74.253 66.009 79.939 1.00 37.55 H +ATOM 673 HB3 TRP A 47 75.396 67.322 79.910 1.00 37.55 H +ATOM 674 HD1 TRP A 47 73.642 65.047 82.152 1.00 48.38 H +ATOM 675 HE1 TRP A 47 74.428 65.340 84.559 1.00 56.31 H +ATOM 676 HE3 TRP A 47 76.036 69.575 81.742 1.00 42.33 H +ATOM 677 HZ2 TRP A 47 75.900 67.205 86.113 1.00 37.13 H +ATOM 678 HZ3 TRP A 47 77.065 70.590 83.739 1.00 38.58 H +ATOM 679 HH2 TRP A 47 77.042 69.410 85.927 1.00 27.40 H +ATOM 680 N VAL A 48 72.669 69.744 81.143 1.00 37.28 N +ATOM 681 CA VAL A 48 72.918 70.863 82.063 1.00 35.78 C +ATOM 682 C VAL A 48 72.779 70.407 83.503 1.00 33.08 C +ATOM 683 O VAL A 48 73.602 70.785 84.329 1.00 36.18 O +ATOM 684 CB VAL A 48 72.010 72.065 81.770 1.00 37.99 C +ATOM 685 CG1 VAL A 48 72.033 73.138 82.865 1.00 47.00 C +ATOM 686 CG2 VAL A 48 72.424 72.735 80.463 1.00 41.99 C +ATOM 687 H VAL A 48 71.827 69.204 81.280 1.00 44.73 H +ATOM 688 HA VAL A 48 73.949 71.201 81.956 1.00 42.93 H +ATOM 689 HB VAL A 48 70.980 71.725 81.665 1.00 45.58 H +ATOM 690 HG11 VAL A 48 71.437 73.996 82.556 1.00 56.40 H +ATOM 691 HG12 VAL A 48 71.603 72.755 83.789 1.00 56.40 H +ATOM 692 HG13 VAL A 48 73.056 73.463 83.050 1.00 56.40 H +ATOM 693 HG21 VAL A 48 71.723 73.530 80.223 1.00 50.39 H +ATOM 694 HG22 VAL A 48 73.424 73.151 80.557 1.00 50.39 H +ATOM 695 HG23 VAL A 48 72.426 72.005 79.655 1.00 50.39 H +ATOM 696 N SER A 49 71.793 69.575 83.835 1.00 30.73 N +ATOM 697 CA SER A 49 71.788 68.936 85.144 1.00 30.31 C +ATOM 698 C SER A 49 70.895 67.712 85.216 1.00 32.83 C +ATOM 699 O SER A 49 69.783 67.738 84.703 1.00 33.30 O +ATOM 700 CB SER A 49 71.333 69.927 86.201 1.00 29.72 C +ATOM 701 OG SER A 49 71.444 69.321 87.463 1.00 36.36 O +ATOM 702 H SER A 49 71.103 69.307 83.147 1.00 36.88 H +ATOM 703 HA SER A 49 72.809 68.628 85.368 1.00 36.37 H +ATOM 704 HB2 SER A 49 71.942 70.830 86.180 1.00 35.67 H +ATOM 705 HB3 SER A 49 70.293 70.183 86.006 1.00 35.67 H +ATOM 706 HG SER A 49 72.320 68.934 87.519 1.00 43.63 H +ATOM 707 N ALA A 50 71.350 66.659 85.888 1.00 25.35 N +ATOM 708 CA ALA A 50 70.603 65.422 86.053 1.00 20.66 C +ATOM 709 C ALA A 50 69.753 65.409 87.332 1.00 29.30 C +ATOM 710 O ALA A 50 70.211 65.846 88.389 1.00 32.51 O +ATOM 711 CB ALA A 50 71.596 64.258 86.039 1.00 20.66 C +ATOM 712 H ALA A 50 72.243 66.740 86.349 1.00 30.41 H +ATOM 713 HA ALA A 50 69.939 65.296 85.199 1.00 24.79 H +ATOM 714 HB1 ALA A 50 71.054 63.314 86.071 1.00 24.79 H +ATOM 715 HB2 ALA A 50 72.188 64.283 85.125 1.00 24.79 H +ATOM 716 HB3 ALA A 50 72.258 64.314 86.902 1.00 24.79 H +ATOM 717 N ILE A 51 68.559 64.816 87.231 1.00 35.45 N +ATOM 718 CA ILE A 51 67.601 64.402 88.285 1.00 43.33 C +ATOM 719 C ILE A 51 66.987 65.522 89.146 1.00 38.34 C +ATOM 720 O ILE A 51 65.793 65.495 89.439 1.00 41.05 O +ATOM 721 CB ILE A 51 68.152 63.261 89.201 1.00 46.90 C +ATOM 722 CG1 ILE A 51 69.171 62.294 88.538 1.00 49.19 C +ATOM 723 CG2 ILE A 51 66.953 62.470 89.771 1.00 38.38 C +ATOM 724 CD1 ILE A 51 69.702 61.148 89.416 1.00 56.00 C +ATOM 725 H ILE A 51 68.269 64.595 86.291 1.00 42.54 H +ATOM 726 HA ILE A 51 66.761 63.974 87.739 1.00 51.99 H +ATOM 727 HB ILE A 51 68.670 63.729 90.037 1.00 56.27 H +ATOM 728 HG12 ILE A 51 68.723 61.862 87.646 1.00 59.03 H +ATOM 729 HG13 ILE A 51 70.044 62.867 88.234 1.00 59.03 H +ATOM 730 HG21 ILE A 51 67.290 61.757 90.522 1.00 46.06 H +ATOM 731 HG22 ILE A 51 66.242 63.135 90.260 1.00 46.06 H +ATOM 732 HG23 ILE A 51 66.445 61.930 88.973 1.00 46.06 H +ATOM 733 HD11 ILE A 51 70.497 60.628 88.886 1.00 67.20 H +ATOM 734 HD12 ILE A 51 70.098 61.545 90.347 1.00 67.20 H +ATOM 735 HD13 ILE A 51 68.911 60.434 89.629 1.00 67.20 H +ATOM 736 N SER A 52 67.806 66.448 89.633 1.00 33.01 N +ATOM 737 CA SER A 52 67.503 67.206 90.852 1.00 37.62 C +ATOM 738 C SER A 52 68.394 68.424 91.107 1.00 31.19 C +ATOM 739 O SER A 52 68.153 69.170 92.050 1.00 39.07 O +ATOM 740 CB SER A 52 67.729 66.250 92.025 1.00 47.31 C +ATOM 741 OG SER A 52 69.071 65.788 92.013 1.00 41.47 O +ATOM 742 H SER A 52 68.776 66.354 89.368 1.00 39.61 H +ATOM 743 HA SER A 52 66.465 67.537 90.842 1.00 45.15 H +ATOM 744 HB2 SER A 52 67.528 66.759 92.967 1.00 56.77 H +ATOM 745 HB3 SER A 52 67.054 65.399 91.940 1.00 56.77 H +ATOM 746 HG SER A 52 69.145 65.087 92.664 1.00 49.77 H +ATOM 747 N GLY A 53 69.463 68.610 90.339 1.00 27.62 N +ATOM 748 CA GLY A 53 70.564 69.488 90.730 1.00 27.61 C +ATOM 749 C GLY A 53 71.707 68.755 91.436 1.00 27.64 C +ATOM 750 O GLY A 53 72.785 69.323 91.574 1.00 31.52 O +ATOM 751 H GLY A 53 69.593 68.020 89.530 1.00 33.15 H +ATOM 752 HA2 GLY A 53 70.965 69.976 89.842 1.00 33.13 H +ATOM 753 HA3 GLY A 53 70.208 70.271 91.399 1.00 33.13 H +ATOM 754 N SER A 54 71.542 67.493 91.837 1.00 27.39 N +ATOM 755 CA SER A 54 72.645 66.715 92.430 1.00 34.38 C +ATOM 756 C SER A 54 73.729 66.405 91.407 1.00 27.53 C +ATOM 757 O SER A 54 74.905 66.621 91.673 1.00 32.97 O +ATOM 758 CB SER A 54 72.129 65.414 93.030 1.00 40.35 C +ATOM 759 OG SER A 54 71.214 65.694 94.064 1.00 46.75 O +ATOM 760 H SER A 54 70.630 67.064 91.776 1.00 32.87 H +ATOM 761 HA SER A 54 73.101 67.296 93.231 1.00 41.26 H +ATOM 762 HB2 SER A 54 71.630 64.838 92.252 1.00 48.42 H +ATOM 763 HB3 SER A 54 72.958 64.834 93.431 1.00 48.42 H +ATOM 764 HG SER A 54 70.520 65.036 93.985 1.00 56.10 H +ATOM 765 N GLY A 55 73.351 66.006 90.194 1.00 24.88 N +ATOM 766 CA GLY A 55 74.222 66.097 89.024 1.00 23.81 C +ATOM 767 C GLY A 55 74.237 67.535 88.521 1.00 28.70 C +ATOM 768 O GLY A 55 73.661 67.831 87.481 1.00 30.53 O +ATOM 769 H GLY A 55 72.372 65.820 90.035 1.00 29.85 H +ATOM 770 HA2 GLY A 55 75.237 65.793 89.274 1.00 28.58 H +ATOM 771 HA3 GLY A 55 73.850 65.447 88.233 1.00 28.58 H +ATOM 772 N GLY A 56 74.767 68.458 89.312 1.00 33.55 N +ATOM 773 CA GLY A 56 74.597 69.899 89.104 1.00 45.63 C +ATOM 774 C GLY A 56 75.369 70.744 90.118 1.00 44.92 C +ATOM 775 O GLY A 56 74.837 71.676 90.721 1.00 45.59 O +ATOM 776 H GLY A 56 75.141 68.143 90.195 1.00 40.26 H +ATOM 777 HA2 GLY A 56 74.955 70.157 88.108 1.00 54.76 H +ATOM 778 HA3 GLY A 56 73.540 70.156 89.167 1.00 54.76 H +ATOM 779 N ILE A 57 76.634 70.386 90.323 1.00 41.66 N +ATOM 780 CA ILE A 57 77.601 71.126 91.141 1.00 47.77 C +ATOM 781 C ILE A 57 77.681 72.596 90.693 1.00 55.97 C +ATOM 782 O ILE A 57 77.524 72.895 89.510 1.00 58.85 O +ATOM 783 CB ILE A 57 78.981 70.410 91.094 1.00 50.90 C +ATOM 784 CG1 ILE A 57 79.541 70.299 89.654 1.00 53.56 C +ATOM 785 CG2 ILE A 57 78.885 69.033 91.779 1.00 42.72 C +ATOM 786 CD1 ILE A 57 80.843 69.508 89.516 1.00 49.61 C +ATOM 787 H ILE A 57 76.985 69.602 89.793 1.00 49.99 H +ATOM 788 HA ILE A 57 77.249 71.122 92.173 1.00 57.32 H +ATOM 789 HB ILE A 57 79.681 71.006 91.678 1.00 61.08 H +ATOM 790 HG12 ILE A 57 78.808 69.825 89.003 1.00 64.27 H +ATOM 791 HG13 ILE A 57 79.726 71.303 89.274 1.00 64.27 H +ATOM 792 HG21 ILE A 57 79.882 68.631 91.955 1.00 51.27 H +ATOM 793 HG22 ILE A 57 78.394 69.133 92.745 1.00 51.27 H +ATOM 794 HG23 ILE A 57 78.325 68.332 91.163 1.00 51.27 H +ATOM 795 HD11 ILE A 57 81.195 69.581 88.488 1.00 59.54 H +ATOM 796 HD12 ILE A 57 81.599 69.920 90.181 1.00 59.54 H +ATOM 797 HD13 ILE A 57 80.678 68.457 89.746 1.00 59.54 H +ATOM 798 N THR A 58 78.009 73.523 91.600 1.00 63.99 N +ATOM 799 CA THR A 58 78.169 74.971 91.306 1.00 70.35 C +ATOM 800 C THR A 58 79.414 75.304 90.464 1.00 70.16 C +ATOM 801 O THR A 58 79.937 76.413 90.540 1.00 72.62 O +ATOM 802 CB THR A 58 78.186 75.821 92.593 1.00 72.84 C +ATOM 803 OG1 THR A 58 79.330 75.537 93.350 1.00 64.99 O +ATOM 804 CG2 THR A 58 76.980 75.604 93.497 1.00 70.76 C +ATOM 805 H THR A 58 78.146 73.232 92.557 1.00 76.79 H +ATOM 806 HA THR A 58 77.306 75.285 90.719 1.00 84.42 H +ATOM 807 HB THR A 58 78.209 76.874 92.319 1.00 87.41 H +ATOM 808 HG1 THR A 58 80.082 75.843 92.842 1.00 77.99 H +ATOM 809 HG21 THR A 58 77.015 76.311 94.324 1.00 84.91 H +ATOM 810 HG22 THR A 58 76.068 75.774 92.931 1.00 84.91 H +ATOM 811 HG23 THR A 58 76.970 74.593 93.897 1.00 84.91 H +ATOM 812 N TYR A 59 79.933 74.332 89.712 1.00 68.81 N +ATOM 813 CA TYR A 59 81.210 74.381 89.008 1.00 71.37 C +ATOM 814 C TYR A 59 81.195 73.681 87.633 1.00 70.64 C +ATOM 815 O TYR A 59 82.272 73.493 87.090 1.00 67.85 O +ATOM 816 CB TYR A 59 82.324 73.814 89.908 1.00 69.44 C +ATOM 817 CG TYR A 59 82.432 74.459 91.279 1.00 72.13 C +ATOM 818 CD1 TYR A 59 82.800 75.812 91.397 1.00 70.53 C +ATOM 819 CD2 TYR A 59 82.138 73.715 92.437 1.00 74.84 C +ATOM 820 CE1 TYR A 59 82.855 76.427 92.662 1.00 76.84 C +ATOM 821 CE2 TYR A 59 82.201 74.323 93.706 1.00 83.32 C +ATOM 822 CZ TYR A 59 82.560 75.683 93.821 1.00 85.24 C +ATOM 823 OH TYR A 59 82.621 76.285 95.037 1.00 93.55 O +ATOM 824 H TYR A 59 79.399 73.478 89.657 1.00 82.58 H +ATOM 825 HA TYR A 59 81.442 75.430 88.822 1.00 85.64 H +ATOM 826 HB2 TYR A 59 82.159 72.745 90.029 1.00 83.33 H +ATOM 827 HB3 TYR A 59 83.286 73.935 89.412 1.00 83.33 H +ATOM 828 HD1 TYR A 59 83.015 76.397 90.516 1.00 84.64 H +ATOM 829 HD2 TYR A 59 81.862 72.675 92.355 1.00 89.81 H +ATOM 830 HE1 TYR A 59 83.126 77.468 92.750 1.00 92.21 H +ATOM 831 HE2 TYR A 59 81.972 73.750 94.591 1.00 99.99 H +ATOM 832 HH TYR A 59 82.401 75.675 95.740 1.00112.26 H +ATOM 833 N TYR A 60 80.031 73.332 87.062 1.00 62.12 N +ATOM 834 CA TYR A 60 79.827 72.677 85.743 1.00 47.99 C +ATOM 835 C TYR A 60 80.524 71.331 85.447 1.00 52.98 C +ATOM 836 O TYR A 60 81.466 70.925 86.118 1.00 60.79 O +ATOM 837 CB TYR A 60 80.092 73.670 84.603 1.00 41.20 C +ATOM 838 CG TYR A 60 78.931 74.563 84.282 1.00 48.02 C +ATOM 839 CD1 TYR A 60 77.660 74.003 84.053 1.00 55.84 C +ATOM 840 CD2 TYR A 60 79.143 75.936 84.097 1.00 51.38 C +ATOM 841 CE1 TYR A 60 76.592 74.819 83.645 1.00 68.83 C +ATOM 842 CE2 TYR A 60 78.078 76.758 83.684 1.00 59.15 C +ATOM 843 CZ TYR A 60 76.800 76.197 83.447 1.00 70.54 C +ATOM 844 OH TYR A 60 75.778 76.956 82.970 1.00 66.00 O +ATOM 845 H TYR A 60 79.192 73.601 87.553 1.00 74.55 H +ATOM 846 HA TYR A 60 78.768 72.418 85.724 1.00 57.59 H +ATOM 847 HB2 TYR A 60 80.963 74.277 84.850 1.00 49.44 H +ATOM 848 HB3 TYR A 60 80.332 73.136 83.684 1.00 49.44 H +ATOM 849 HD1 TYR A 60 77.494 72.941 84.148 1.00 67.01 H +ATOM 850 HD2 TYR A 60 80.133 76.350 84.215 1.00 61.66 H +ATOM 851 HE1 TYR A 60 75.619 74.393 83.452 1.00 82.60 H +ATOM 852 HE2 TYR A 60 78.244 77.809 83.500 1.00 70.98 H +ATOM 853 HH TYR A 60 75.829 77.852 83.303 1.00 79.20 H +ATOM 854 N GLY A 61 80.041 70.640 84.401 1.00 46.41 N +ATOM 855 CA GLY A 61 80.555 69.350 83.922 1.00 50.05 C +ATOM 856 C GLY A 61 80.693 68.313 85.040 1.00 54.96 C +ATOM 857 O GLY A 61 79.808 68.167 85.883 1.00 54.55 O +ATOM 858 H GLY A 61 79.280 71.046 83.878 1.00 55.69 H +ATOM 859 HA2 GLY A 61 79.886 68.944 83.165 1.00 60.06 H +ATOM 860 HA3 GLY A 61 81.528 69.509 83.459 1.00 60.06 H +ATOM 861 N ASP A 62 81.833 67.621 85.073 1.00 58.49 N +ATOM 862 CA ASP A 62 82.389 67.087 86.327 1.00 61.24 C +ATOM 863 C ASP A 62 83.408 68.063 86.959 1.00 61.17 C +ATOM 864 O ASP A 62 83.621 67.995 88.167 1.00 67.28 O +ATOM 865 CB ASP A 62 82.954 65.667 86.149 1.00 67.21 C +ATOM 866 CG ASP A 62 83.980 65.493 85.028 1.00 77.13 C +ATOM 867 OD1 ASP A 62 84.440 66.498 84.445 1.00 71.61 O +ATOM 868 OD2 ASP A 62 84.318 64.326 84.724 1.00 83.45 O +ATOM 869 H ASP A 62 82.468 67.691 84.292 1.00 70.18 H +ATOM 870 HA ASP A 62 81.585 66.997 87.058 1.00 73.49 H +ATOM 871 HB2 ASP A 62 83.398 65.349 87.089 1.00 80.66 H +ATOM 872 HB3 ASP A 62 82.115 65.003 85.950 1.00 80.66 H +ATOM 873 N SER A 63 83.975 69.010 86.198 1.00 59.30 N +ATOM 874 CA SER A 63 84.492 70.296 86.701 1.00 63.15 C +ATOM 875 C SER A 63 84.808 71.272 85.559 1.00 64.41 C +ATOM 876 O SER A 63 85.460 70.882 84.591 1.00 71.48 O +ATOM 877 CB SER A 63 85.774 70.093 87.513 1.00 76.26 C +ATOM 878 OG SER A 63 86.257 71.342 87.976 1.00 80.60 O +ATOM 879 H SER A 63 83.850 68.934 85.200 1.00 71.16 H +ATOM 880 HA SER A 63 83.745 70.750 87.350 1.00 75.78 H +ATOM 881 HB2 SER A 63 85.578 69.455 88.373 1.00 91.51 H +ATOM 882 HB3 SER A 63 86.532 69.620 86.890 1.00 91.51 H +ATOM 883 HG SER A 63 87.037 71.179 88.500 1.00 96.72 H +ATOM 884 N ALA A 64 84.413 72.543 85.674 1.00 68.17 N +ATOM 885 CA ALA A 64 84.805 73.644 84.775 1.00 72.39 C +ATOM 886 C ALA A 64 84.717 75.081 85.368 1.00 75.71 C +ATOM 887 O ALA A 64 84.975 76.051 84.656 1.00 80.72 O +ATOM 888 CB ALA A 64 83.982 73.539 83.484 1.00 78.72 C +ATOM 889 H ALA A 64 83.753 72.744 86.410 1.00 81.81 H +ATOM 890 HA ALA A 64 85.852 73.497 84.512 1.00 86.87 H +ATOM 891 HB1 ALA A 64 84.320 74.283 82.764 1.00 94.46 H +ATOM 892 HB2 ALA A 64 84.102 72.554 83.035 1.00 94.46 H +ATOM 893 HB3 ALA A 64 82.928 73.707 83.699 1.00 94.46 H +ATOM 894 N LYS A 65 84.368 75.245 86.653 1.00 75.10 N +ATOM 895 CA LYS A 65 84.228 76.526 87.390 1.00 80.64 C +ATOM 896 C LYS A 65 83.177 77.515 86.841 1.00 83.00 C +ATOM 897 O LYS A 65 83.504 78.645 86.479 1.00 84.87 O +ATOM 898 CB LYS A 65 85.601 77.198 87.605 1.00 85.57 C +ATOM 899 CG LYS A 65 86.575 76.346 88.430 1.00 93.34 C +ATOM 900 CD LYS A 65 87.876 77.115 88.690 1.00103.99 C +ATOM 901 CE LYS A 65 88.807 76.306 89.597 1.00112.08 C +ATOM 902 NZ LYS A 65 90.016 77.081 89.967 1.00111.11 N +ATOM 903 H LYS A 65 84.144 74.398 87.154 1.00 90.12 H +ATOM 904 HA LYS A 65 83.868 76.281 88.389 1.00 96.77 H +ATOM 905 HB2 LYS A 65 86.054 77.434 86.643 1.00102.68 H +ATOM 906 HB3 LYS A 65 85.446 78.133 88.142 1.00102.68 H +ATOM 907 HG2 LYS A 65 86.111 76.100 89.383 1.00112.01 H +ATOM 908 HG3 LYS A 65 86.804 75.425 87.897 1.00112.01 H +ATOM 909 HD2 LYS A 65 88.371 77.321 87.743 1.00124.78 H +ATOM 910 HD3 LYS A 65 87.636 78.059 89.178 1.00124.78 H +ATOM 911 HE2 LYS A 65 88.263 76.025 90.494 1.00134.49 H +ATOM 912 HE3 LYS A 65 89.091 75.394 89.079 1.00134.49 H +ATOM 913 HZ1 LYS A 65 90.623 76.547 90.570 1.00133.34 H +ATOM 914 HZ2 LYS A 65 90.547 77.339 89.152 1.00133.34 H +ATOM 915 HZ3 LYS A 65 89.769 77.925 90.456 1.00133.34 H +ATOM 916 N GLY A 66 81.897 77.120 86.842 1.00 84.12 N +ATOM 917 CA GLY A 66 80.754 78.028 86.629 1.00 87.75 C +ATOM 918 C GLY A 66 79.556 77.762 87.553 1.00 80.14 C +ATOM 919 O GLY A 66 79.087 76.630 87.674 1.00 71.08 O +ATOM 920 H GLY A 66 81.698 76.158 87.069 1.00100.94 H +ATOM 921 HA2 GLY A 66 81.079 79.056 86.791 1.00105.29 H +ATOM 922 HA3 GLY A 66 80.413 77.970 85.597 1.00105.29 H +ATOM 923 N ARG A 67 79.064 78.832 88.195 1.00 81.33 N +ATOM 924 CA ARG A 67 78.047 78.837 89.265 1.00 76.63 C +ATOM 925 C ARG A 67 76.608 78.768 88.749 1.00 63.18 C +ATOM 926 O ARG A 67 75.911 79.777 88.629 1.00 65.88 O +ATOM 927 CB ARG A 67 78.241 80.083 90.139 1.00 83.40 C +ATOM 928 CG ARG A 67 79.496 80.063 91.023 1.00 96.81 C +ATOM 929 CD ARG A 67 79.600 81.432 91.708 1.00 99.68 C +ATOM 930 NE ARG A 67 80.560 81.453 92.821 1.00100.66 N +ATOM 931 CZ ARG A 67 80.803 82.489 93.601 1.00104.52 C +ATOM 932 NH1 ARG A 67 81.584 82.376 94.632 1.00106.41 N +ATOM 933 NH2 ARG A 67 80.274 83.655 93.383 1.00107.99 N +ATOM 934 H ARG A 67 79.494 79.719 87.978 1.00 97.59 H +ATOM 935 HA ARG A 67 78.190 77.966 89.903 1.00 91.96 H +ATOM 936 HB2 ARG A 67 78.264 80.964 89.498 1.00100.07 H +ATOM 937 HB3 ARG A 67 77.385 80.168 90.807 1.00100.07 H +ATOM 938 HG2 ARG A 67 79.395 79.276 91.769 1.00116.17 H +ATOM 939 HG3 ARG A 67 80.388 79.885 90.423 1.00116.17 H +ATOM 940 HD2 ARG A 67 79.889 82.172 90.964 1.00119.62 H +ATOM 941 HD3 ARG A 67 78.620 81.700 92.097 1.00119.62 H +ATOM 942 HE ARG A 67 81.021 80.591 93.060 1.00120.80 H +ATOM 943 HH11 ARG A 67 82.015 81.489 94.843 1.00127.70 H +ATOM 944 HH12 ARG A 67 81.752 83.171 95.227 1.00127.70 H +ATOM 945 HH21 ARG A 67 79.687 83.784 92.574 1.00129.58 H +ATOM 946 HH22 ARG A 67 80.477 84.426 93.999 1.00129.58 H +ATOM 947 N PHE A 68 76.157 77.551 88.484 1.00 59.90 N +ATOM 948 CA PHE A 68 74.799 77.254 88.048 1.00 53.17 C +ATOM 949 C PHE A 68 74.230 76.111 88.883 1.00 48.26 C +ATOM 950 O PHE A 68 74.958 75.175 89.205 1.00 48.97 O +ATOM 951 CB PHE A 68 74.824 76.922 86.560 1.00 53.39 C +ATOM 952 CG PHE A 68 75.118 78.121 85.686 1.00 66.29 C +ATOM 953 CD1 PHE A 68 76.405 78.687 85.640 1.00 79.18 C +ATOM 954 CD2 PHE A 68 74.114 78.648 84.862 1.00 67.32 C +ATOM 955 CE1 PHE A 68 76.664 79.818 84.851 1.00 78.23 C +ATOM 956 CE2 PHE A 68 74.391 79.740 84.021 1.00 71.72 C +ATOM 957 CZ PHE A 68 75.652 80.351 84.041 1.00 74.42 C +ATOM 958 H PHE A 68 76.810 76.784 88.530 1.00 71.89 H +ATOM 959 HA PHE A 68 74.158 78.123 88.193 1.00 63.81 H +ATOM 960 HB2 PHE A 68 75.572 76.153 86.370 1.00 64.07 H +ATOM 961 HB3 PHE A 68 73.854 76.512 86.279 1.00 64.07 H +ATOM 962 HD1 PHE A 68 77.214 78.239 86.198 1.00 95.01 H +ATOM 963 HD2 PHE A 68 73.131 78.201 84.856 1.00 80.79 H +ATOM 964 HE1 PHE A 68 77.648 80.263 84.843 1.00 93.88 H +ATOM 965 HE2 PHE A 68 73.630 80.116 83.354 1.00 86.07 H +ATOM 966 HZ PHE A 68 75.849 81.212 83.420 1.00 89.30 H +ATOM 967 N THR A 69 72.950 76.195 89.263 1.00 49.62 N +ATOM 968 CA THR A 69 72.246 75.169 90.060 1.00 42.96 C +ATOM 969 C THR A 69 70.715 75.372 90.049 1.00 43.22 C +ATOM 970 O THR A 69 70.209 76.219 89.319 1.00 45.08 O +ATOM 971 CB THR A 69 72.833 75.106 91.481 1.00 40.32 C +ATOM 972 OG1 THR A 69 72.429 73.914 92.110 1.00 39.50 O +ATOM 973 CG2 THR A 69 72.430 76.282 92.363 1.00 46.92 C +ATOM 974 H THR A 69 72.403 76.976 88.933 1.00 59.54 H +ATOM 975 HA THR A 69 72.433 74.202 89.594 1.00 51.56 H +ATOM 976 HB THR A 69 73.922 75.091 91.430 1.00 48.39 H +ATOM 977 HG1 THR A 69 73.045 73.231 91.852 1.00 47.40 H +ATOM 978 HG21 THR A 69 72.951 76.211 93.317 1.00 56.30 H +ATOM 979 HG22 THR A 69 72.713 77.218 91.883 1.00 56.30 H +ATOM 980 HG23 THR A 69 71.357 76.279 92.548 1.00 56.30 H +ATOM 981 N ILE A 70 69.950 74.574 90.800 1.00 41.47 N +ATOM 982 CA ILE A 70 68.512 74.292 90.588 1.00 48.33 C +ATOM 983 C ILE A 70 67.696 74.290 91.887 1.00 49.41 C +ATOM 984 O ILE A 70 68.234 74.139 92.981 1.00 52.22 O +ATOM 985 CB ILE A 70 68.409 72.934 89.845 1.00 59.93 C +ATOM 986 CG1 ILE A 70 68.700 73.158 88.349 1.00 63.91 C +ATOM 987 CG2 ILE A 70 67.106 72.112 89.974 1.00 56.31 C +ATOM 988 CD1 ILE A 70 69.434 71.971 87.721 1.00 47.77 C +ATOM 989 H ILE A 70 70.433 73.998 91.474 1.00 49.77 H +ATOM 990 HA ILE A 70 68.081 75.070 89.959 1.00 57.99 H +ATOM 991 HB ILE A 70 69.195 72.299 90.255 1.00 71.91 H +ATOM 992 HG12 ILE A 70 67.767 73.344 87.819 1.00 76.70 H +ATOM 993 HG13 ILE A 70 69.330 74.034 88.203 1.00 76.70 H +ATOM 994 HG21 ILE A 70 67.191 71.185 89.410 1.00 67.58 H +ATOM 995 HG22 ILE A 70 66.926 71.840 91.013 1.00 67.58 H +ATOM 996 HG23 ILE A 70 66.250 72.663 89.589 1.00 67.58 H +ATOM 997 HD11 ILE A 70 69.592 72.168 86.661 1.00 57.33 H +ATOM 998 HD12 ILE A 70 70.402 71.846 88.203 1.00 57.33 H +ATOM 999 HD13 ILE A 70 68.856 71.055 87.830 1.00 57.33 H +ATOM 1000 N SER A 71 66.375 74.396 91.756 1.00 45.57 N +ATOM 1001 CA SER A 71 65.402 74.051 92.797 1.00 52.48 C +ATOM 1002 C SER A 71 64.194 73.324 92.198 1.00 54.52 C +ATOM 1003 O SER A 71 63.967 73.371 90.987 1.00 51.23 O +ATOM 1004 CB SER A 71 64.998 75.304 93.579 1.00 66.23 C +ATOM 1005 OG SER A 71 64.105 74.974 94.628 1.00 68.51 O +ATOM 1006 H SER A 71 66.014 74.500 90.820 1.00 54.68 H +ATOM 1007 HA SER A 71 65.868 73.363 93.501 1.00 62.98 H +ATOM 1008 HB2 SER A 71 65.893 75.762 94.000 1.00 79.48 H +ATOM 1009 HB3 SER A 71 64.525 76.020 92.908 1.00 79.48 H +ATOM 1010 HG SER A 71 63.995 75.743 95.185 1.00 82.21 H +ATOM 1011 N ARG A 72 63.417 72.633 93.033 1.00 58.88 N +ATOM 1012 CA ARG A 72 62.379 71.683 92.621 1.00 58.32 C +ATOM 1013 C ARG A 72 61.092 71.808 93.435 1.00 65.14 C +ATOM 1014 O ARG A 72 61.138 71.839 94.658 1.00 67.37 O +ATOM 1015 CB ARG A 72 62.967 70.258 92.668 1.00 66.73 C +ATOM 1016 CG ARG A 72 63.782 69.911 93.931 1.00 65.22 C +ATOM 1017 CD ARG A 72 64.326 68.478 93.859 1.00 69.98 C +ATOM 1018 NE ARG A 72 65.345 68.223 94.897 1.00 77.09 N +ATOM 1019 CZ ARG A 72 65.754 67.053 95.350 1.00 81.20 C +ATOM 1020 NH1 ARG A 72 66.719 66.987 96.213 1.00 92.40 N +ATOM 1021 NH2 ARG A 72 65.233 65.931 94.956 1.00 66.07 N +ATOM 1022 H ARG A 72 63.600 72.738 94.020 1.00 70.66 H +ATOM 1023 HA ARG A 72 62.113 71.893 91.585 1.00 69.99 H +ATOM 1024 HB2 ARG A 72 62.161 69.536 92.555 1.00 80.07 H +ATOM 1025 HB3 ARG A 72 63.639 70.146 91.819 1.00 80.07 H +ATOM 1026 HG2 ARG A 72 64.630 70.587 94.008 1.00 78.27 H +ATOM 1027 HG3 ARG A 72 63.163 70.016 94.818 1.00 78.27 H +ATOM 1028 HD2 ARG A 72 63.494 67.790 93.967 1.00 83.98 H +ATOM 1029 HD3 ARG A 72 64.778 68.321 92.885 1.00 83.98 H +ATOM 1030 HE ARG A 72 65.802 69.028 95.296 1.00 92.51 H +ATOM 1031 HH11 ARG A 72 67.142 67.836 96.554 1.00110.88 H +ATOM 1032 HH12 ARG A 72 67.029 66.093 96.562 1.00110.88 H +ATOM 1033 HH21 ARG A 72 64.445 65.955 94.328 1.00 79.29 H +ATOM 1034 HH22 ARG A 72 65.534 65.058 95.362 1.00 79.29 H +ATOM 1035 N ASP A 73 59.943 71.824 92.756 1.00 75.43 N +ATOM 1036 CA ASP A 73 58.606 71.816 93.362 1.00 80.44 C +ATOM 1037 C ASP A 73 57.516 71.216 92.442 1.00 83.57 C +ATOM 1038 O ASP A 73 56.652 71.901 91.883 1.00 79.69 O +ATOM 1039 CB ASP A 73 58.248 73.227 93.845 1.00 92.07 C +ATOM 1040 CG ASP A 73 57.048 73.205 94.790 1.00102.65 C +ATOM 1041 OD1 ASP A 73 56.261 72.232 94.763 1.00102.81 O +ATOM 1042 OD2 ASP A 73 56.915 74.159 95.586 1.00103.09 O +ATOM 1043 H ASP A 73 59.982 71.852 91.747 1.00 90.52 H +ATOM 1044 HA ASP A 73 58.650 71.180 94.246 1.00 96.52 H +ATOM 1045 HB2 ASP A 73 59.099 73.658 94.372 1.00110.49 H +ATOM 1046 HB3 ASP A 73 58.026 73.865 92.990 1.00110.49 H +ATOM 1047 N ASN A 74 57.518 69.886 92.310 1.00 83.55 N +ATOM 1048 CA ASN A 74 56.439 69.172 91.624 1.00 86.70 C +ATOM 1049 C ASN A 74 55.071 69.347 92.313 1.00 86.35 C +ATOM 1050 O ASN A 74 54.058 69.122 91.661 1.00 83.38 O +ATOM 1051 CB ASN A 74 56.734 67.669 91.496 1.00 92.99 C +ATOM 1052 CG ASN A 74 57.918 67.264 90.639 1.00 86.84 C +ATOM 1053 OD1 ASN A 74 59.032 67.146 91.116 1.00 83.02 O +ATOM 1054 ND2 ASN A 74 57.706 66.963 89.382 1.00 81.32 N +ATOM 1055 H ASN A 74 58.242 69.345 92.762 1.00100.26 H +ATOM 1056 HA ASN A 74 56.349 69.582 90.618 1.00104.04 H +ATOM 1057 HB2 ASN A 74 56.870 67.245 92.490 1.00111.59 H +ATOM 1058 HB3 ASN A 74 55.856 67.202 91.051 1.00111.59 H +ATOM 1059 HD21 ASN A 74 58.470 66.534 88.881 1.00 97.59 H +ATOM 1060 HD22 ASN A 74 56.825 67.109 88.916 1.00 97.59 H +ATOM 1061 N SER A 75 54.990 69.796 93.574 1.00 97.71 N +ATOM 1062 CA SER A 75 53.693 70.096 94.211 1.00106.12 C +ATOM 1063 C SER A 75 53.026 71.307 93.552 1.00101.41 C +ATOM 1064 O SER A 75 51.832 71.288 93.256 1.00108.46 O +ATOM 1065 CB SER A 75 53.829 70.282 95.731 1.00106.56 C +ATOM 1066 OG SER A 75 54.213 71.588 96.120 1.00106.11 O +ATOM 1067 H SER A 75 55.836 70.041 94.064 1.00117.25 H +ATOM 1068 HA SER A 75 53.039 69.238 94.056 1.00127.35 H +ATOM 1069 HB2 SER A 75 52.862 70.072 96.187 1.00127.87 H +ATOM 1070 HB3 SER A 75 54.547 69.561 96.122 1.00127.87 H +ATOM 1071 HG SER A 75 55.023 71.818 95.661 1.00127.34 H +ATOM 1072 N LYS A 76 53.832 72.319 93.208 1.00 96.37 N +ATOM 1073 CA LYS A 76 53.466 73.416 92.302 1.00 99.32 C +ATOM 1074 C LYS A 76 53.464 72.982 90.828 1.00 88.30 C +ATOM 1075 O LYS A 76 53.212 73.798 89.948 1.00 93.21 O +ATOM 1076 CB LYS A 76 54.436 74.591 92.520 1.00103.91 C +ATOM 1077 CG LYS A 76 54.283 75.296 93.877 1.00116.74 C +ATOM 1078 CD LYS A 76 55.282 76.465 93.962 1.00109.87 C +ATOM 1079 CE LYS A 76 55.248 77.247 95.283 1.00119.36 C +ATOM 1080 NZ LYS A 76 55.534 76.390 96.459 1.00113.22 N +ATOM 1081 H LYS A 76 54.785 72.275 93.538 1.00115.65 H +ATOM 1082 HA LYS A 76 52.455 73.751 92.530 1.00119.19 H +ATOM 1083 HB2 LYS A 76 55.460 74.237 92.409 1.00124.70 H +ATOM 1084 HB3 LYS A 76 54.242 75.342 91.754 1.00124.70 H +ATOM 1085 HG2 LYS A 76 53.269 75.681 93.969 1.00140.09 H +ATOM 1086 HG3 LYS A 76 54.459 74.578 94.677 1.00140.09 H +ATOM 1087 HD2 LYS A 76 56.292 76.093 93.799 1.00131.84 H +ATOM 1088 HD3 LYS A 76 55.063 77.165 93.158 1.00131.84 H +ATOM 1089 HE2 LYS A 76 55.991 78.039 95.218 1.00143.24 H +ATOM 1090 HE3 LYS A 76 54.276 77.723 95.391 1.00143.24 H +ATOM 1091 HZ1 LYS A 76 55.825 76.942 97.252 1.00135.87 H +ATOM 1092 HZ2 LYS A 76 54.716 75.869 96.735 1.00135.87 H +ATOM 1093 HZ3 LYS A 76 56.253 75.714 96.249 1.00135.87 H +ATOM 1094 N ASN A 77 53.789 71.724 90.536 1.00 80.16 N +ATOM 1095 CA ASN A 77 54.046 71.208 89.195 1.00 83.90 C +ATOM 1096 C ASN A 77 55.053 72.083 88.417 1.00 75.52 C +ATOM 1097 O ASN A 77 54.954 72.210 87.198 1.00 75.32 O +ATOM 1098 CB ASN A 77 52.715 70.930 88.467 1.00 83.51 C +ATOM 1099 CG ASN A 77 51.889 69.837 89.129 1.00 87.46 C +ATOM 1100 OD1 ASN A 77 52.114 68.653 88.934 1.00 86.77 O +ATOM 1101 ND2 ASN A 77 50.892 70.187 89.906 1.00 92.20 N +ATOM 1102 H ASN A 77 53.892 71.080 91.307 1.00 96.20 H +ATOM 1103 HA ASN A 77 54.536 70.242 89.310 1.00100.68 H +ATOM 1104 HB2 ASN A 77 52.129 71.846 88.398 1.00100.22 H +ATOM 1105 HB3 ASN A 77 52.921 70.602 87.448 1.00100.22 H +ATOM 1106 HD21 ASN A 77 50.348 69.456 90.335 1.00110.64 H +ATOM 1107 HD22 ASN A 77 50.665 71.159 90.055 1.00110.64 H +ATOM 1108 N THR A 78 56.016 72.717 89.101 1.00 76.13 N +ATOM 1109 CA THR A 78 56.991 73.610 88.460 1.00 75.33 C +ATOM 1110 C THR A 78 58.348 73.691 89.183 1.00 67.37 C +ATOM 1111 O THR A 78 58.432 73.541 90.400 1.00 67.16 O +ATOM 1112 CB THR A 78 56.354 74.982 88.211 1.00 75.86 C +ATOM 1113 OG1 THR A 78 57.264 75.829 87.570 1.00 76.23 O +ATOM 1114 CG2 THR A 78 55.854 75.692 89.461 1.00 85.65 C +ATOM 1115 H THR A 78 56.104 72.566 90.096 1.00 91.36 H +ATOM 1116 HA THR A 78 57.203 73.178 87.482 1.00 90.40 H +ATOM 1117 HB THR A 78 55.503 74.840 87.545 1.00 91.03 H +ATOM 1118 HG1 THR A 78 57.648 75.319 86.854 1.00 91.47 H +ATOM 1119 HG21 THR A 78 56.317 76.671 89.570 1.00102.78 H +ATOM 1120 HG22 THR A 78 54.776 75.831 89.386 1.00102.78 H +ATOM 1121 HG23 THR A 78 56.079 75.091 90.341 1.00102.78 H +ATOM 1122 N LEU A 79 59.432 73.860 88.419 1.00 60.66 N +ATOM 1123 CA LEU A 79 60.829 73.637 88.814 1.00 55.98 C +ATOM 1124 C LEU A 79 61.760 74.654 88.136 1.00 56.45 C +ATOM 1125 O LEU A 79 61.366 75.275 87.150 1.00 65.83 O +ATOM 1126 CB LEU A 79 61.242 72.205 88.443 1.00 61.18 C +ATOM 1127 CG LEU A 79 60.539 71.104 89.256 1.00 68.37 C +ATOM 1128 CD1 LEU A 79 59.327 70.506 88.556 1.00 68.55 C +ATOM 1129 CD2 LEU A 79 61.475 69.927 89.512 1.00 70.02 C +ATOM 1130 H LEU A 79 59.278 74.064 87.443 1.00 72.79 H +ATOM 1131 HA LEU A 79 60.932 73.764 89.891 1.00 67.18 H +ATOM 1132 HB2 LEU A 79 61.066 72.045 87.380 1.00 73.42 H +ATOM 1133 HB3 LEU A 79 62.315 72.125 88.610 1.00 73.42 H +ATOM 1134 HG LEU A 79 60.231 71.515 90.217 1.00 82.05 H +ATOM 1135 HD11 LEU A 79 59.654 70.036 87.630 1.00 82.25 H +ATOM 1136 HD12 LEU A 79 58.862 69.753 89.189 1.00 82.25 H +ATOM 1137 HD13 LEU A 79 58.589 71.270 88.317 1.00 82.25 H +ATOM 1138 HD21 LEU A 79 61.012 69.224 90.201 1.00 84.03 H +ATOM 1139 HD22 LEU A 79 61.684 69.412 88.576 1.00 84.03 H +ATOM 1140 HD23 LEU A 79 62.421 70.270 89.925 1.00 84.03 H +ATOM 1141 N TYR A 80 62.978 74.849 88.656 1.00 52.00 N +ATOM 1142 CA TYR A 80 63.732 76.098 88.458 1.00 54.46 C +ATOM 1143 C TYR A 80 65.259 75.907 88.382 1.00 49.51 C +ATOM 1144 O TYR A 80 65.811 75.041 89.054 1.00 44.38 O +ATOM 1145 CB TYR A 80 63.382 77.082 89.599 1.00 66.93 C +ATOM 1146 CG TYR A 80 61.984 76.936 90.195 1.00 76.39 C +ATOM 1147 CD1 TYR A 80 61.766 75.963 91.189 1.00 78.60 C +ATOM 1148 CD2 TYR A 80 60.893 77.686 89.711 1.00 75.82 C +ATOM 1149 CE1 TYR A 80 60.470 75.683 91.648 1.00 78.14 C +ATOM 1150 CE2 TYR A 80 59.588 77.418 90.174 1.00 75.73 C +ATOM 1151 CZ TYR A 80 59.379 76.402 91.128 1.00 80.27 C +ATOM 1152 OH TYR A 80 58.129 76.069 91.524 1.00 80.46 O +ATOM 1153 H TYR A 80 63.286 74.256 89.412 1.00 62.41 H +ATOM 1154 HA TYR A 80 63.418 76.549 87.517 1.00 65.35 H +ATOM 1155 HB2 TYR A 80 64.094 76.935 90.411 1.00 80.32 H +ATOM 1156 HB3 TYR A 80 63.520 78.099 89.237 1.00 80.32 H +ATOM 1157 HD1 TYR A 80 62.602 75.404 91.582 1.00 94.32 H +ATOM 1158 HD2 TYR A 80 61.054 78.459 88.975 1.00 90.99 H +ATOM 1159 HE1 TYR A 80 60.307 74.917 92.391 1.00 93.77 H +ATOM 1160 HE2 TYR A 80 58.744 77.969 89.787 1.00 90.87 H +ATOM 1161 HH TYR A 80 58.038 75.115 91.478 1.00 96.56 H +ATOM 1162 N LEU A 81 65.951 76.767 87.639 1.00 48.51 N +ATOM 1163 CA LEU A 81 67.410 76.853 87.538 1.00 46.21 C +ATOM 1164 C LEU A 81 67.861 78.307 87.638 1.00 48.35 C +ATOM 1165 O LEU A 81 67.207 79.197 87.103 1.00 54.28 O +ATOM 1166 CB LEU A 81 67.872 76.194 86.230 1.00 49.65 C +ATOM 1167 CG LEU A 81 69.377 76.336 85.920 1.00 54.05 C +ATOM 1168 CD1 LEU A 81 69.931 75.112 85.193 1.00 48.07 C +ATOM 1169 CD2 LEU A 81 69.647 77.521 85.001 1.00 56.61 C +ATOM 1170 H LEU A 81 65.431 77.460 87.121 1.00 58.21 H +ATOM 1171 HA LEU A 81 67.867 76.312 88.367 1.00 55.45 H +ATOM 1172 HB2 LEU A 81 67.632 75.134 86.305 1.00 59.58 H +ATOM 1173 HB3 LEU A 81 67.300 76.608 85.401 1.00 59.58 H +ATOM 1174 HG LEU A 81 69.943 76.457 86.843 1.00 64.86 H +ATOM 1175 HD11 LEU A 81 70.998 75.240 85.014 1.00 57.69 H +ATOM 1176 HD12 LEU A 81 69.784 74.224 85.805 1.00 57.69 H +ATOM 1177 HD13 LEU A 81 69.420 74.973 84.241 1.00 57.69 H +ATOM 1178 HD21 LEU A 81 70.720 77.631 84.859 1.00 67.94 H +ATOM 1179 HD22 LEU A 81 69.173 77.339 84.038 1.00 67.94 H +ATOM 1180 HD23 LEU A 81 69.254 78.444 85.425 1.00 67.94 H +ATOM 1181 N GLU A 82 69.003 78.552 88.269 1.00 46.49 N +ATOM 1182 CA GLU A 82 69.625 79.871 88.365 1.00 50.44 C +ATOM 1183 C GLU A 82 71.015 79.912 87.740 1.00 48.32 C +ATOM 1184 O GLU A 82 71.752 78.928 87.709 1.00 50.19 O +ATOM 1185 CB GLU A 82 69.679 80.377 89.810 1.00 60.28 C +ATOM 1186 CG GLU A 82 68.278 80.660 90.369 1.00 67.23 C +ATOM 1187 CD GLU A 82 68.251 81.612 91.580 1.00 76.63 C +ATOM 1188 OE1 GLU A 82 69.309 81.968 92.145 1.00 76.16 O +ATOM 1189 OE2 GLU A 82 67.135 82.022 91.968 1.00 76.65 O +ATOM 1190 H GLU A 82 69.520 77.766 88.635 1.00 55.79 H +ATOM 1191 HA GLU A 82 69.025 80.584 87.801 1.00 60.53 H +ATOM 1192 HB2 GLU A 82 70.193 79.654 90.442 1.00 72.34 H +ATOM 1193 HB3 GLU A 82 70.245 81.307 89.807 1.00 72.34 H +ATOM 1194 HG2 GLU A 82 67.687 81.111 89.574 1.00 80.68 H +ATOM 1195 HG3 GLU A 82 67.809 79.715 90.635 1.00 80.68 H +ATOM 1196 N MET A 83 71.339 81.091 87.224 1.00 46.18 N +ATOM 1197 CA MET A 83 72.469 81.379 86.363 1.00 44.61 C +ATOM 1198 C MET A 83 73.259 82.526 86.966 1.00 52.72 C +ATOM 1199 O MET A 83 72.648 83.557 87.218 1.00 55.32 O +ATOM 1200 CB MET A 83 71.895 81.800 85.002 1.00 50.73 C +ATOM 1201 CG MET A 83 70.930 80.755 84.425 1.00 63.66 C +ATOM 1202 SD MET A 83 70.275 81.151 82.789 1.00 98.19 S +ATOM 1203 CE MET A 83 69.758 79.508 82.245 1.00 55.62 C +ATOM 1204 H MET A 83 70.653 81.829 87.293 1.00 55.41 H +ATOM 1205 HA MET A 83 73.114 80.506 86.263 1.00 53.54 H +ATOM 1206 HB2 MET A 83 71.349 82.737 85.109 1.00 60.87 H +ATOM 1207 HB3 MET A 83 72.713 81.975 84.304 1.00 60.87 H +ATOM 1208 HG2 MET A 83 71.457 79.804 84.364 1.00 76.40 H +ATOM 1209 HG3 MET A 83 70.079 80.630 85.093 1.00 76.40 H +ATOM 1210 HE1 MET A 83 69.446 79.553 81.203 1.00 66.74 H +ATOM 1211 HE2 MET A 83 70.585 78.806 82.337 1.00 66.74 H +ATOM 1212 HE3 MET A 83 68.919 79.177 82.855 1.00 66.74 H +ATOM 1213 N SER A 84 74.566 82.404 87.221 1.00 60.54 N +ATOM 1214 CA SER A 84 75.319 83.460 87.932 1.00 58.52 C +ATOM 1215 C SER A 84 76.814 83.538 87.594 1.00 60.59 C +ATOM 1216 O SER A 84 77.428 82.543 87.218 1.00 60.75 O +ATOM 1217 CB SER A 84 75.132 83.296 89.444 1.00 61.29 C +ATOM 1218 OG SER A 84 75.840 82.186 89.950 1.00 66.93 O +ATOM 1219 H SER A 84 75.043 81.544 86.993 1.00 72.65 H +ATOM 1220 HA SER A 84 74.887 84.421 87.655 1.00 70.22 H +ATOM 1221 HB2 SER A 84 75.490 84.194 89.946 1.00 73.55 H +ATOM 1222 HB3 SER A 84 74.074 83.176 89.668 1.00 73.55 H +ATOM 1223 HG SER A 84 75.720 81.431 89.370 1.00 80.32 H +ATOM 1224 N SER A 85 77.407 84.728 87.767 1.00 60.50 N +ATOM 1225 CA SER A 85 78.836 85.011 87.513 1.00 63.38 C +ATOM 1226 C SER A 85 79.265 84.721 86.067 1.00 64.39 C +ATOM 1227 O SER A 85 80.204 83.970 85.803 1.00 63.67 O +ATOM 1228 CB SER A 85 79.733 84.316 88.547 1.00 66.88 C +ATOM 1229 OG SER A 85 79.392 84.726 89.863 1.00 77.84 O +ATOM 1230 H SER A 85 76.833 85.490 88.097 1.00 72.60 H +ATOM 1231 HA SER A 85 78.982 86.082 87.649 1.00 76.05 H +ATOM 1232 HB2 SER A 85 79.619 83.236 88.466 1.00 80.26 H +ATOM 1233 HB3 SER A 85 80.775 84.570 88.354 1.00 80.26 H +ATOM 1234 HG SER A 85 79.678 85.633 89.980 1.00 93.41 H +ATOM 1235 N LEU A 86 78.515 85.296 85.122 1.00 61.76 N +ATOM 1236 CA LEU A 86 78.452 84.863 83.720 1.00 54.69 C +ATOM 1237 C LEU A 86 79.768 85.010 82.938 1.00 50.28 C +ATOM 1238 O LEU A 86 80.446 86.035 83.029 1.00 57.02 O +ATOM 1239 CB LEU A 86 77.334 85.629 82.984 1.00 53.04 C +ATOM 1240 CG LEU A 86 75.992 85.735 83.726 1.00 60.92 C +ATOM 1241 CD1 LEU A 86 75.011 86.511 82.862 1.00 62.79 C +ATOM 1242 CD2 LEU A 86 75.375 84.376 84.052 1.00 67.60 C +ATOM 1243 H LEU A 86 77.787 85.916 85.441 1.00 74.12 H +ATOM 1244 HA LEU A 86 78.188 83.806 83.719 1.00 65.63 H +ATOM 1245 HB2 LEU A 86 77.687 86.639 82.784 1.00 63.65 H +ATOM 1246 HB3 LEU A 86 77.164 85.144 82.025 1.00 63.65 H +ATOM 1247 HG LEU A 86 76.128 86.287 84.656 1.00 73.10 H +ATOM 1248 HD11 LEU A 86 74.075 86.622 83.407 1.00 75.35 H +ATOM 1249 HD12 LEU A 86 75.410 87.499 82.640 1.00 75.35 H +ATOM 1250 HD13 LEU A 86 74.834 85.969 81.935 1.00 75.35 H +ATOM 1251 HD21 LEU A 86 74.424 84.515 84.564 1.00 81.12 H +ATOM 1252 HD22 LEU A 86 75.213 83.812 83.135 1.00 81.12 H +ATOM 1253 HD23 LEU A 86 76.039 83.808 84.702 1.00 81.12 H +ATOM 1254 N ARG A 87 80.069 84.027 82.086 1.00 46.00 N +ATOM 1255 CA ARG A 87 80.875 84.230 80.867 1.00 50.69 C +ATOM 1256 C ARG A 87 79.988 84.796 79.762 1.00 51.80 C +ATOM 1257 O ARG A 87 78.769 84.741 79.868 1.00 57.33 O +ATOM 1258 CB ARG A 87 81.465 82.895 80.386 1.00 50.04 C +ATOM 1259 CG ARG A 87 82.646 82.422 81.237 1.00 46.84 C +ATOM 1260 CD ARG A 87 83.317 81.165 80.650 1.00 54.76 C +ATOM 1261 NE ARG A 87 83.694 81.295 79.221 1.00 61.53 N +ATOM 1262 CZ ARG A 87 84.573 82.112 78.666 1.00 71.62 C +ATOM 1263 NH1 ARG A 87 84.783 82.037 77.390 1.00 68.32 N +ATOM 1264 NH2 ARG A 87 85.243 83.005 79.332 1.00 68.60 N +ATOM 1265 H ARG A 87 79.444 83.235 82.091 1.00 55.20 H +ATOM 1266 HA ARG A 87 81.675 84.946 81.051 1.00 60.83 H +ATOM 1267 HB2 ARG A 87 80.693 82.128 80.376 1.00 60.05 H +ATOM 1268 HB3 ARG A 87 81.819 83.027 79.364 1.00 60.05 H +ATOM 1269 HG2 ARG A 87 83.378 83.227 81.306 1.00 56.21 H +ATOM 1270 HG3 ARG A 87 82.299 82.199 82.245 1.00 56.21 H +ATOM 1271 HD2 ARG A 87 84.202 80.930 81.241 1.00 65.71 H +ATOM 1272 HD3 ARG A 87 82.626 80.330 80.751 1.00 65.71 H +ATOM 1273 HE ARG A 87 83.268 80.652 78.570 1.00 73.83 H +ATOM 1274 HH11 ARG A 87 84.238 81.371 76.861 1.00 81.98 H +ATOM 1275 HH12 ARG A 87 85.463 82.628 76.943 1.00 81.98 H +ATOM 1276 HH21 ARG A 87 85.124 83.068 80.331 1.00 82.32 H +ATOM 1277 HH22 ARG A 87 85.902 83.600 78.855 1.00 82.32 H +ATOM 1278 N ALA A 88 80.564 85.219 78.639 1.00 48.79 N +ATOM 1279 CA ALA A 88 79.784 85.424 77.420 1.00 47.95 C +ATOM 1280 C ALA A 88 79.083 84.124 76.972 1.00 48.00 C +ATOM 1281 O ALA A 88 77.893 84.135 76.659 1.00 45.72 O +ATOM 1282 CB ALA A 88 80.713 85.971 76.337 1.00 53.15 C +ATOM 1283 H ALA A 88 81.570 85.293 78.597 1.00 58.55 H +ATOM 1284 HA ALA A 88 79.013 86.170 77.612 1.00 57.54 H +ATOM 1285 HB1 ALA A 88 80.141 86.154 75.429 1.00 63.78 H +ATOM 1286 HB2 ALA A 88 81.151 86.911 76.665 1.00 63.78 H +ATOM 1287 HB3 ALA A 88 81.507 85.258 76.119 1.00 63.78 H +ATOM 1288 N ASP A 89 79.800 82.996 77.019 1.00 45.58 N +ATOM 1289 CA ASP A 89 79.358 81.678 76.531 1.00 44.24 C +ATOM 1290 C ASP A 89 78.031 81.174 77.113 1.00 39.62 C +ATOM 1291 O ASP A 89 77.343 80.384 76.479 1.00 39.99 O +ATOM 1292 CB ASP A 89 80.425 80.623 76.857 1.00 50.04 C +ATOM 1293 CG ASP A 89 81.754 80.806 76.126 1.00 54.05 C +ATOM 1294 OD1 ASP A 89 81.785 81.470 75.070 1.00 54.23 O +ATOM 1295 OD2 ASP A 89 82.777 80.271 76.614 1.00 56.09 O +ATOM 1296 H ASP A 89 80.777 83.092 77.253 1.00 54.69 H +ATOM 1297 HA ASP A 89 79.233 81.728 75.450 1.00 53.09 H +ATOM 1298 HB2 ASP A 89 80.602 80.627 77.930 1.00 60.05 H +ATOM 1299 HB3 ASP A 89 80.038 79.640 76.593 1.00 60.05 H +ATOM 1300 N ASP A 90 77.643 81.624 78.302 1.00 41.08 N +ATOM 1301 CA ASP A 90 76.395 81.210 78.954 1.00 37.50 C +ATOM 1302 C ASP A 90 75.152 81.707 78.197 1.00 35.85 C +ATOM 1303 O ASP A 90 74.043 81.208 78.385 1.00 39.47 O +ATOM 1304 CB ASP A 90 76.422 81.686 80.417 1.00 52.24 C +ATOM 1305 CG ASP A 90 77.659 81.182 81.198 1.00 62.56 C +ATOM 1306 OD1 ASP A 90 78.124 80.052 80.925 1.00 58.93 O +ATOM 1307 OD2 ASP A 90 78.155 81.911 82.086 1.00 60.92 O +ATOM 1308 H ASP A 90 78.230 82.299 78.771 1.00 49.29 H +ATOM 1309 HA ASP A 90 76.351 80.121 78.954 1.00 45.00 H +ATOM 1310 HB2 ASP A 90 76.397 82.775 80.427 1.00 62.69 H +ATOM 1311 HB3 ASP A 90 75.520 81.328 80.912 1.00 62.69 H +ATOM 1312 N THR A 91 75.362 82.649 77.284 1.00 37.47 N +ATOM 1313 CA THR A 91 74.442 83.029 76.218 1.00 44.99 C +ATOM 1314 C THR A 91 74.061 81.816 75.366 1.00 42.44 C +ATOM 1315 O THR A 91 74.908 81.319 74.630 1.00 44.42 O +ATOM 1316 CB THR A 91 75.161 84.056 75.334 1.00 54.91 C +ATOM 1317 OG1 THR A 91 75.479 85.193 76.097 1.00 56.53 O +ATOM 1318 CG2 THR A 91 74.363 84.506 74.119 1.00 63.51 C +ATOM 1319 H THR A 91 76.309 82.989 77.203 1.00 44.96 H +ATOM 1320 HA THR A 91 73.545 83.476 76.646 1.00 53.98 H +ATOM 1321 HB THR A 91 76.095 83.626 74.972 1.00 65.90 H +ATOM 1322 HG1 THR A 91 76.335 84.983 76.473 1.00 67.83 H +ATOM 1323 HG21 THR A 91 74.779 85.429 73.721 1.00 76.21 H +ATOM 1324 HG22 THR A 91 74.418 83.744 73.343 1.00 76.21 H +ATOM 1325 HG23 THR A 91 73.316 84.652 74.381 1.00 76.21 H +ATOM 1326 N ALA A 92 72.822 81.322 75.447 1.00 41.79 N +ATOM 1327 CA ALA A 92 72.360 80.125 74.729 1.00 39.92 C +ATOM 1328 C ALA A 92 70.824 79.964 74.827 1.00 42.28 C +ATOM 1329 O ALA A 92 70.110 80.921 75.124 1.00 45.68 O +ATOM 1330 CB ALA A 92 73.080 78.889 75.304 1.00 41.71 C +ATOM 1331 H ALA A 92 72.138 81.828 75.990 1.00 50.15 H +ATOM 1332 HA ALA A 92 72.616 80.216 73.675 1.00 47.91 H +ATOM 1333 HB1 ALA A 92 72.892 78.019 74.678 1.00 50.05 H +ATOM 1334 HB2 ALA A 92 74.158 79.033 75.335 1.00 50.05 H +ATOM 1335 HB3 ALA A 92 72.722 78.685 76.311 1.00 50.05 H +ATOM 1336 N VAL A 93 70.313 78.751 74.595 1.00 38.62 N +ATOM 1337 CA VAL A 93 68.905 78.338 74.732 1.00 40.49 C +ATOM 1338 C VAL A 93 68.813 77.127 75.673 1.00 35.05 C +ATOM 1339 O VAL A 93 69.759 76.349 75.762 1.00 33.81 O +ATOM 1340 CB VAL A 93 68.316 78.040 73.336 1.00 43.78 C +ATOM 1341 CG1 VAL A 93 66.916 77.422 73.357 1.00 46.47 C +ATOM 1342 CG2 VAL A 93 68.220 79.312 72.491 1.00 44.49 C +ATOM 1343 H VAL A 93 70.958 78.014 74.353 1.00 46.34 H +ATOM 1344 HA VAL A 93 68.333 79.148 75.184 1.00 48.58 H +ATOM 1345 HB VAL A 93 68.976 77.341 72.824 1.00 52.54 H +ATOM 1346 HG11 VAL A 93 66.549 77.305 72.339 1.00 55.77 H +ATOM 1347 HG12 VAL A 93 66.943 76.432 73.808 1.00 55.77 H +ATOM 1348 HG13 VAL A 93 66.232 78.063 73.910 1.00 55.77 H +ATOM 1349 HG21 VAL A 93 67.896 79.061 71.482 1.00 53.39 H +ATOM 1350 HG22 VAL A 93 67.500 80.001 72.931 1.00 53.39 H +ATOM 1351 HG23 VAL A 93 69.190 79.800 72.424 1.00 53.39 H +ATOM 1352 N TYR A 94 67.698 76.938 76.382 1.00 29.15 N +ATOM 1353 CA TYR A 94 67.587 75.917 77.434 1.00 24.64 C +ATOM 1354 C TYR A 94 66.236 75.183 77.483 1.00 28.53 C +ATOM 1355 O TYR A 94 65.207 75.799 77.220 1.00 31.16 O +ATOM 1356 CB TYR A 94 67.864 76.627 78.750 1.00 21.32 C +ATOM 1357 CG TYR A 94 69.267 77.179 78.826 1.00 22.32 C +ATOM 1358 CD1 TYR A 94 70.317 76.313 79.162 1.00 27.71 C +ATOM 1359 CD2 TYR A 94 69.535 78.522 78.517 1.00 24.85 C +ATOM 1360 CE1 TYR A 94 71.633 76.792 79.233 1.00 37.71 C +ATOM 1361 CE2 TYR A 94 70.858 79.003 78.574 1.00 26.41 C +ATOM 1362 CZ TYR A 94 71.912 78.141 78.938 1.00 33.90 C +ATOM 1363 OH TYR A 94 73.198 78.589 78.981 1.00 38.76 O +ATOM 1364 H TYR A 94 66.951 77.610 76.293 1.00 34.98 H +ATOM 1365 HA TYR A 94 68.354 75.154 77.295 1.00 29.57 H +ATOM 1366 HB2 TYR A 94 67.147 77.437 78.879 1.00 25.59 H +ATOM 1367 HB3 TYR A 94 67.720 75.924 79.570 1.00 25.59 H +ATOM 1368 HD1 TYR A 94 70.107 75.278 79.385 1.00 33.25 H +ATOM 1369 HD2 TYR A 94 68.728 79.180 78.230 1.00 29.82 H +ATOM 1370 HE1 TYR A 94 72.428 76.126 79.533 1.00 45.25 H +ATOM 1371 HE2 TYR A 94 71.076 80.033 78.335 1.00 31.69 H +ATOM 1372 HH TYR A 94 73.267 79.530 78.806 1.00 46.51 H +ATOM 1373 N TYR A 95 66.229 73.900 77.877 1.00 23.04 N +ATOM 1374 CA TYR A 95 65.057 73.008 77.961 1.00 22.67 C +ATOM 1375 C TYR A 95 65.093 72.077 79.184 1.00 22.07 C +ATOM 1376 O TYR A 95 66.164 71.741 79.684 1.00 24.16 O +ATOM 1377 CB TYR A 95 64.983 72.082 76.739 1.00 24.46 C +ATOM 1378 CG TYR A 95 65.091 72.721 75.378 1.00 23.79 C +ATOM 1379 CD1 TYR A 95 64.189 73.722 75.003 1.00 26.56 C +ATOM 1380 CD2 TYR A 95 66.073 72.287 74.474 1.00 24.14 C +ATOM 1381 CE1 TYR A 95 64.328 74.361 73.760 1.00 28.38 C +ATOM 1382 CE2 TYR A 95 66.177 72.882 73.208 1.00 26.31 C +ATOM 1383 CZ TYR A 95 65.319 73.940 72.859 1.00 28.60 C +ATOM 1384 OH TYR A 95 65.441 74.547 71.656 1.00 34.45 O +ATOM 1385 H TYR A 95 67.119 73.478 78.097 1.00 27.64 H +ATOM 1386 HA TYR A 95 64.148 73.607 78.009 1.00 27.20 H +ATOM 1387 HB2 TYR A 95 65.774 71.338 76.831 1.00 29.36 H +ATOM 1388 HB3 TYR A 95 64.036 71.545 76.771 1.00 29.36 H +ATOM 1389 HD1 TYR A 95 63.402 74.002 75.686 1.00 31.87 H +ATOM 1390 HD2 TYR A 95 66.750 71.492 74.749 1.00 28.97 H +ATOM 1391 HE1 TYR A 95 63.673 75.170 73.474 1.00 34.06 H +ATOM 1392 HE2 TYR A 95 66.919 72.532 72.507 1.00 31.57 H +ATOM 1393 HH TYR A 95 66.150 74.157 71.142 1.00 41.34 H +ATOM 1394 N CYS A 96 63.933 71.561 79.595 1.00 23.02 N +ATOM 1395 CA CYS A 96 63.794 70.626 80.715 1.00 22.79 C +ATOM 1396 C CYS A 96 62.971 69.400 80.361 1.00 27.43 C +ATOM 1397 O CYS A 96 62.038 69.506 79.569 1.00 28.95 O +ATOM 1398 CB CYS A 96 63.112 71.334 81.876 1.00 30.95 C +ATOM 1399 SG CYS A 96 64.217 72.619 82.454 1.00 32.79 S +ATOM 1400 H CYS A 96 63.085 71.852 79.132 1.00 27.62 H +ATOM 1401 HA CYS A 96 64.775 70.285 81.045 1.00 27.35 H +ATOM 1402 HB2 CYS A 96 62.170 71.769 81.547 1.00 37.14 H +ATOM 1403 HB3 CYS A 96 62.918 70.628 82.682 1.00 37.14 H +ATOM 1404 HG CYS A 96 63.320 73.340 83.129 1.00 39.35 H +ATOM 1405 N ALA A 97 63.257 68.264 80.993 1.00 27.76 N +ATOM 1406 CA ALA A 97 62.535 67.026 80.744 1.00 30.53 C +ATOM 1407 C ALA A 97 62.277 66.161 81.973 1.00 34.03 C +ATOM 1408 O ALA A 97 63.087 66.123 82.899 1.00 32.74 O +ATOM 1409 CB ALA A 97 63.302 66.210 79.719 1.00 30.71 C +ATOM 1410 H ALA A 97 64.039 68.240 81.631 1.00 33.32 H +ATOM 1411 HA ALA A 97 61.560 67.286 80.332 1.00 36.64 H +ATOM 1412 HB1 ALA A 97 62.919 65.191 79.687 1.00 36.85 H +ATOM 1413 HB2 ALA A 97 63.159 66.643 78.730 1.00 36.85 H +ATOM 1414 HB3 ALA A 97 64.360 66.188 79.979 1.00 36.85 H +ATOM 1415 N GLN A 98 61.158 65.430 81.921 1.00 37.48 N +ATOM 1416 CA GLN A 98 60.688 64.464 82.923 1.00 38.82 C +ATOM 1417 C GLN A 98 61.073 63.016 82.609 1.00 43.10 C +ATOM 1418 O GLN A 98 61.058 62.573 81.454 1.00 42.59 O +ATOM 1419 CB GLN A 98 59.163 64.540 83.105 1.00 43.56 C +ATOM 1420 CG GLN A 98 58.344 64.322 81.825 1.00 48.27 C +ATOM 1421 CD GLN A 98 57.751 62.925 81.591 1.00 70.70 C +ATOM 1422 OE1 GLN A 98 56.657 62.586 82.018 1.00 74.84 O +ATOM 1423 NE2 GLN A 98 58.370 62.148 80.746 1.00 73.83 N +ATOM 1424 H GLN A 98 60.624 65.506 81.069 1.00 44.97 H +ATOM 1425 HA GLN A 98 61.139 64.725 83.880 1.00 46.59 H +ATOM 1426 HB2 GLN A 98 58.842 63.833 83.870 1.00 52.27 H +ATOM 1427 HB3 GLN A 98 58.938 65.539 83.475 1.00 52.27 H +ATOM 1428 HG2 GLN A 98 57.509 65.020 81.851 1.00 57.92 H +ATOM 1429 HG3 GLN A 98 58.943 64.602 80.960 1.00 57.92 H +ATOM 1430 HE21 GLN A 98 57.865 61.355 80.377 1.00 88.59 H +ATOM 1431 HE22 GLN A 98 59.341 62.323 80.532 1.00 88.59 H +ATOM 1432 N GLU A 99 61.326 62.253 83.670 1.00 40.86 N +ATOM 1433 CA GLU A 99 61.277 60.788 83.638 1.00 45.09 C +ATOM 1434 C GLU A 99 59.894 60.282 83.184 1.00 44.15 C +ATOM 1435 O GLU A 99 58.882 60.922 83.454 1.00 49.06 O +ATOM 1436 CB GLU A 99 61.614 60.212 85.037 1.00 54.53 C +ATOM 1437 CG GLU A 99 60.754 60.771 86.194 1.00 65.68 C +ATOM 1438 CD GLU A 99 60.610 59.854 87.426 1.00 65.52 C +ATOM 1439 OE1 GLU A 99 60.363 58.642 87.262 1.00 57.42 O +ATOM 1440 OE2 GLU A 99 60.645 60.363 88.566 1.00 65.48 O +ATOM 1441 H GLU A 99 61.340 62.697 84.577 1.00 49.04 H +ATOM 1442 HA GLU A 99 62.025 60.429 82.931 1.00 54.10 H +ATOM 1443 HB2 GLU A 99 61.495 59.130 84.983 1.00 65.43 H +ATOM 1444 HB3 GLU A 99 62.660 60.415 85.261 1.00 65.43 H +ATOM 1445 HG2 GLU A 99 61.176 61.733 86.482 1.00 78.81 H +ATOM 1446 HG3 GLU A 99 59.747 60.958 85.823 1.00 78.81 H +ATOM 1447 N ARG A 100 59.848 59.095 82.568 1.00 46.38 N +ATOM 1448 CA ARG A 100 58.653 58.241 82.625 1.00 46.17 C +ATOM 1449 C ARG A 100 58.982 56.799 82.294 1.00 56.90 C +ATOM 1450 O ARG A 100 58.954 55.964 83.187 1.00 67.49 O +ATOM 1451 CB ARG A 100 57.488 58.778 81.771 1.00 44.96 C +ATOM 1452 CG ARG A 100 56.252 59.084 82.628 1.00 42.52 C +ATOM 1453 CD ARG A 100 55.051 59.408 81.745 1.00 45.44 C +ATOM 1454 NE ARG A 100 54.599 58.210 81.016 1.00 49.38 N +ATOM 1455 CZ ARG A 100 54.286 58.135 79.738 1.00 55.15 C +ATOM 1456 NH1 ARG A 100 53.772 57.052 79.244 1.00 44.34 N +ATOM 1457 NH2 ARG A 100 54.480 59.111 78.912 1.00 63.71 N +ATOM 1458 H ARG A 100 60.726 58.640 82.369 1.00 55.66 H +ATOM 1459 HA ARG A 100 58.322 58.225 83.663 1.00 55.40 H +ATOM 1460 HB2 ARG A 100 57.788 59.697 81.270 1.00 53.95 H +ATOM 1461 HB3 ARG A 100 57.220 58.057 81.000 1.00 53.95 H +ATOM 1462 HG2 ARG A 100 56.013 58.228 83.259 1.00 51.03 H +ATOM 1463 HG3 ARG A 100 56.457 59.936 83.275 1.00 51.03 H +ATOM 1464 HD2 ARG A 100 54.239 59.756 82.382 1.00 54.53 H +ATOM 1465 HD3 ARG A 100 55.314 60.219 81.067 1.00 54.53 H +ATOM 1466 HE ARG A 100 54.505 57.363 81.555 1.00 59.26 H +ATOM 1467 HH11 ARG A 100 53.590 56.264 79.847 1.00 53.21 H +ATOM 1468 HH12 ARG A 100 53.519 57.015 78.268 1.00 53.21 H +ATOM 1469 HH21 ARG A 100 55.185 59.791 79.152 1.00 76.46 H +ATOM 1470 HH22 ARG A 100 54.277 58.985 77.931 1.00 76.46 H +ATOM 1471 N TYR A 101 59.300 56.492 81.038 1.00 55.22 N +ATOM 1472 CA TYR A 101 59.354 55.106 80.570 1.00 72.14 C +ATOM 1473 C TYR A 101 60.482 54.291 81.242 1.00 76.73 C +ATOM 1474 O TYR A 101 61.666 54.591 81.088 1.00 72.02 O +ATOM 1475 CB TYR A 101 59.421 55.082 79.039 1.00 66.74 C +ATOM 1476 CG TYR A 101 59.180 53.715 78.408 1.00 78.17 C +ATOM 1477 CD1 TYR A 101 57.880 53.165 78.392 1.00 73.88 C +ATOM 1478 CD2 TYR A 101 60.239 53.007 77.803 1.00 74.45 C +ATOM 1479 CE1 TYR A 101 57.644 51.918 77.782 1.00 63.72 C +ATOM 1480 CE2 TYR A 101 59.999 51.765 77.178 1.00 81.81 C +ATOM 1481 CZ TYR A 101 58.700 51.220 77.166 1.00 70.84 C +ATOM 1482 OH TYR A 101 58.464 50.027 76.570 1.00 70.79 O +ATOM 1483 H TYR A 101 59.349 57.235 80.358 1.00 66.27 H +ATOM 1484 HA TYR A 101 58.405 54.642 80.839 1.00 86.56 H +ATOM 1485 HB2 TYR A 101 58.655 55.752 78.649 1.00 80.09 H +ATOM 1486 HB3 TYR A 101 60.386 55.471 78.717 1.00 80.09 H +ATOM 1487 HD1 TYR A 101 57.061 53.704 78.844 1.00 88.66 H +ATOM 1488 HD2 TYR A 101 61.236 53.421 77.807 1.00 89.34 H +ATOM 1489 HE1 TYR A 101 56.653 51.489 77.785 1.00 76.47 H +ATOM 1490 HE2 TYR A 101 60.812 51.234 76.707 1.00 98.18 H +ATOM 1491 HH TYR A 101 59.270 49.533 76.428 1.00 84.95 H +ATOM 1492 N CYS A 102 60.093 53.257 82.000 1.00 76.25 N +ATOM 1493 CA CYS A 102 60.955 52.354 82.765 1.00 68.74 C +ATOM 1494 C CYS A 102 60.172 51.084 83.120 1.00 64.17 C +ATOM 1495 O CYS A 102 59.031 51.183 83.569 1.00 70.68 O +ATOM 1496 CB CYS A 102 61.419 53.072 84.042 1.00 60.85 C +ATOM 1497 SG CYS A 102 62.474 51.988 85.042 1.00 60.14 S +ATOM 1498 H CYS A 102 59.102 53.072 82.052 1.00 91.50 H +ATOM 1499 HA CYS A 102 61.822 52.087 82.161 1.00 82.49 H +ATOM 1500 HB2 CYS A 102 61.975 53.971 83.776 1.00 73.02 H +ATOM 1501 HB3 CYS A 102 60.549 53.365 84.630 1.00 73.02 H +ATOM 1502 HG CYS A 102 62.637 52.826 86.058 1.00 72.17 H +ATOM 1503 N ASP A 103 60.743 49.894 82.944 1.00 64.39 N +ATOM 1504 CA ASP A 103 60.172 48.660 83.497 1.00 70.10 C +ATOM 1505 C ASP A 103 61.213 47.544 83.648 1.00 77.58 C +ATOM 1506 O ASP A 103 62.241 47.563 82.972 1.00 66.73 O +ATOM 1507 CB ASP A 103 59.006 48.150 82.637 1.00 69.41 C +ATOM 1508 CG ASP A 103 58.204 47.102 83.410 1.00 71.84 C +ATOM 1509 OD1 ASP A 103 57.959 47.336 84.621 1.00 69.54 O +ATOM 1510 OD2 ASP A 103 57.945 46.021 82.842 1.00 82.36 O +ATOM 1511 H ASP A 103 61.679 49.841 82.570 1.00 77.27 H +ATOM 1512 HA ASP A 103 59.797 48.895 84.492 1.00 84.12 H +ATOM 1513 HB2 ASP A 103 58.347 48.976 82.372 1.00 83.29 H +ATOM 1514 HB3 ASP A 103 59.401 47.728 81.713 1.00 83.29 H +ATOM 1515 N SER A 104 60.942 46.558 84.516 1.00 69.15 N +ATOM 1516 CA SER A 104 61.804 45.391 84.778 1.00 59.84 C +ATOM 1517 C SER A 104 63.264 45.754 85.113 1.00 62.63 C +ATOM 1518 O SER A 104 64.171 44.938 84.938 1.00 66.33 O +ATOM 1519 CB SER A 104 61.692 44.389 83.617 1.00 53.27 C +ATOM 1520 OG SER A 104 62.363 43.179 83.906 1.00 56.33 O +ATOM 1521 H SER A 104 60.052 46.587 84.991 1.00 82.97 H +ATOM 1522 HA SER A 104 61.405 44.898 85.663 1.00 71.80 H +ATOM 1523 HB2 SER A 104 60.640 44.173 83.433 1.00 63.92 H +ATOM 1524 HB3 SER A 104 62.120 44.829 82.717 1.00 63.92 H +ATOM 1525 HG SER A 104 63.262 43.419 84.133 1.00 67.59 H +ATOM 1526 N GLY A 105 63.515 46.992 85.549 1.00 64.30 N +ATOM 1527 CA GLY A 105 64.842 47.606 85.627 1.00 61.19 C +ATOM 1528 C GLY A 105 65.478 47.802 84.250 1.00 59.12 C +ATOM 1529 O GLY A 105 65.483 48.900 83.696 1.00 57.12 O +ATOM 1530 H GLY A 105 62.719 47.595 85.697 1.00 77.16 H +ATOM 1531 HA2 GLY A 105 64.761 48.579 86.110 1.00 73.43 H +ATOM 1532 HA3 GLY A 105 65.497 46.980 86.232 1.00 73.43 H +ATOM 1533 N SER A 106 66.003 46.710 83.696 1.00 59.34 N +ATOM 1534 CA SER A 106 66.615 46.579 82.373 1.00 56.46 C +ATOM 1535 C SER A 106 67.932 47.331 82.156 1.00 53.79 C +ATOM 1536 O SER A 106 68.908 46.726 81.726 1.00 57.06 O +ATOM 1537 CB SER A 106 65.571 46.896 81.302 1.00 57.58 C +ATOM 1538 OG SER A 106 66.047 46.516 80.033 1.00 64.73 O +ATOM 1539 H SER A 106 65.885 45.857 84.222 1.00 71.21 H +ATOM 1540 HA SER A 106 66.855 45.523 82.255 1.00 67.75 H +ATOM 1541 HB2 SER A 106 64.658 46.344 81.517 1.00 69.09 H +ATOM 1542 HB3 SER A 106 65.350 47.962 81.295 1.00 69.09 H +ATOM 1543 HG SER A 106 66.317 47.312 79.573 1.00 77.68 H +ATOM 1544 N CYS A 107 68.009 48.623 82.465 1.00 50.78 N +ATOM 1545 CA CYS A 107 69.245 49.408 82.371 1.00 51.96 C +ATOM 1546 C CYS A 107 70.255 49.096 83.496 1.00 46.26 C +ATOM 1547 O CYS A 107 71.464 49.184 83.297 1.00 48.88 O +ATOM 1548 CB CYS A 107 68.837 50.880 82.390 1.00 48.54 C +ATOM 1549 SG CYS A 107 68.012 51.224 83.958 1.00 45.94 S +ATOM 1550 H CYS A 107 67.187 49.080 82.834 1.00 60.94 H +ATOM 1551 HA CYS A 107 69.742 49.200 81.424 1.00 62.35 H +ATOM 1552 HB2 CYS A 107 69.719 51.511 82.290 1.00 58.25 H +ATOM 1553 HB3 CYS A 107 68.157 51.088 81.565 1.00 58.25 H +ATOM 1554 HG CYS A 107 68.879 52.148 84.380 1.00 55.12 H +ATOM 1555 N TYR A 108 69.764 48.746 84.685 1.00 49.00 N +ATOM 1556 CA TYR A 108 70.524 48.403 85.895 1.00 55.64 C +ATOM 1557 C TYR A 108 71.502 49.487 86.421 1.00 49.01 C +ATOM 1558 O TYR A 108 72.245 49.264 87.374 1.00 48.39 O +ATOM 1559 CB TYR A 108 71.082 46.975 85.761 1.00 58.79 C +ATOM 1560 CG TYR A 108 70.027 45.924 85.402 1.00 60.76 C +ATOM 1561 CD1 TYR A 108 68.898 45.742 86.228 1.00 61.75 C +ATOM 1562 CD2 TYR A 108 70.163 45.124 84.250 1.00 58.59 C +ATOM 1563 CE1 TYR A 108 67.920 44.779 85.912 1.00 59.73 C +ATOM 1564 CE2 TYR A 108 69.189 44.155 83.931 1.00 53.38 C +ATOM 1565 CZ TYR A 108 68.068 43.976 84.765 1.00 51.09 C +ATOM 1566 OH TYR A 108 67.139 43.029 84.476 1.00 44.63 O +ATOM 1567 H TYR A 108 68.758 48.740 84.762 1.00 58.80 H +ATOM 1568 HA TYR A 108 69.782 48.350 86.690 1.00 66.77 H +ATOM 1569 HB2 TYR A 108 71.868 46.976 85.007 1.00 70.55 H +ATOM 1570 HB3 TYR A 108 71.538 46.687 86.706 1.00 70.55 H +ATOM 1571 HD1 TYR A 108 68.784 46.335 87.122 1.00 74.10 H +ATOM 1572 HD2 TYR A 108 71.017 45.255 83.604 1.00 70.30 H +ATOM 1573 HE1 TYR A 108 67.064 44.634 86.553 1.00 71.67 H +ATOM 1574 HE2 TYR A 108 69.306 43.545 83.048 1.00 64.05 H +ATOM 1575 HH TYR A 108 67.421 42.470 83.751 1.00 53.55 H +ATOM 1576 N GLU A 109 71.425 50.703 85.878 1.00 44.33 N +ATOM 1577 CA GLU A 109 71.904 51.972 86.443 1.00 43.54 C +ATOM 1578 C GLU A 109 70.957 53.096 85.975 1.00 41.29 C +ATOM 1579 O GLU A 109 70.464 53.026 84.852 1.00 45.45 O +ATOM 1580 CB GLU A 109 73.353 52.221 85.991 1.00 43.22 C +ATOM 1581 CG GLU A 109 73.873 53.591 86.444 1.00 41.77 C +ATOM 1582 CD GLU A 109 75.373 53.754 86.179 1.00 47.37 C +ATOM 1583 OE1 GLU A 109 75.844 53.430 85.065 1.00 50.11 O +ATOM 1584 OE2 GLU A 109 76.091 54.230 87.085 1.00 40.43 O +ATOM 1585 H GLU A 109 70.836 50.792 85.063 1.00 53.19 H +ATOM 1586 HA GLU A 109 71.877 51.926 87.532 1.00 52.25 H +ATOM 1587 HB2 GLU A 109 73.988 51.444 86.413 1.00 51.86 H +ATOM 1588 HB3 GLU A 109 73.404 52.161 84.905 1.00 51.86 H +ATOM 1589 HG2 GLU A 109 73.336 54.378 85.915 1.00 50.12 H +ATOM 1590 HG3 GLU A 109 73.673 53.703 87.509 1.00 50.12 H +ATOM 1591 N ARG A 110 70.687 54.125 86.792 1.00 29.40 N +ATOM 1592 CA ARG A 110 69.710 55.198 86.498 1.00 23.56 C +ATOM 1593 C ARG A 110 68.351 54.658 86.027 1.00 26.72 C +ATOM 1594 O ARG A 110 67.579 54.161 86.843 1.00 31.68 O +ATOM 1595 CB ARG A 110 70.325 56.262 85.568 1.00 21.80 C +ATOM 1596 CG ARG A 110 71.280 57.193 86.324 1.00 25.83 C +ATOM 1597 CD ARG A 110 72.196 58.007 85.403 1.00 29.70 C +ATOM 1598 NE ARG A 110 71.476 58.822 84.406 1.00 19.51 N +ATOM 1599 CZ ARG A 110 72.040 59.448 83.391 1.00 16.17 C +ATOM 1600 NH1 ARG A 110 71.315 60.026 82.485 1.00 19.70 N +ATOM 1601 NH2 ARG A 110 73.332 59.496 83.255 1.00 23.74 N +ATOM 1602 H ARG A 110 71.131 54.132 87.698 1.00 35.28 H +ATOM 1603 HA ARG A 110 69.474 55.703 87.434 1.00 28.27 H +ATOM 1604 HB2 ARG A 110 70.854 55.773 84.752 1.00 26.17 H +ATOM 1605 HB3 ARG A 110 69.535 56.882 85.147 1.00 26.17 H +ATOM 1606 HG2 ARG A 110 70.698 57.873 86.944 1.00 30.99 H +ATOM 1607 HG3 ARG A 110 71.916 56.598 86.977 1.00 30.99 H +ATOM 1608 HD2 ARG A 110 72.806 58.661 86.022 1.00 35.64 H +ATOM 1609 HD3 ARG A 110 72.856 57.312 84.889 1.00 35.64 H +ATOM 1610 HE ARG A 110 70.471 58.869 84.478 1.00 23.41 H +ATOM 1611 HH11 ARG A 110 70.310 59.950 82.518 1.00 23.64 H +ATOM 1612 HH12 ARG A 110 71.771 60.507 81.725 1.00 23.64 H +ATOM 1613 HH21 ARG A 110 73.907 59.057 83.958 1.00 28.49 H +ATOM 1614 HH22 ARG A 110 73.764 59.815 82.400 1.00 28.49 H +ATOM 1615 N ASP A 111 68.051 54.745 84.731 1.00 28.15 N +ATOM 1616 CA ASP A 111 66.764 54.382 84.115 1.00 43.20 C +ATOM 1617 C ASP A 111 66.899 53.965 82.616 1.00 57.50 C +ATOM 1618 O ASP A 111 67.837 54.385 81.929 1.00 53.91 O +ATOM 1619 CB ASP A 111 65.763 55.559 84.204 1.00 34.91 C +ATOM 1620 CG ASP A 111 65.718 56.334 85.527 1.00 32.68 C +ATOM 1621 OD1 ASP A 111 66.666 57.081 85.848 1.00 39.58 O +ATOM 1622 OD2 ASP A 111 64.675 56.265 86.203 1.00 34.85 O +ATOM 1623 H ASP A 111 68.772 55.093 84.117 1.00 33.78 H +ATOM 1624 HA ASP A 111 66.347 53.544 84.672 1.00 51.84 H +ATOM 1625 HB2 ASP A 111 66.010 56.273 83.421 1.00 41.89 H +ATOM 1626 HB3 ASP A 111 64.768 55.176 83.979 1.00 41.89 H +ATOM 1627 N PRO A 112 65.928 53.226 82.047 1.00 54.94 N +ATOM 1628 CA PRO A 112 65.631 53.278 80.622 1.00 38.19 C +ATOM 1629 C PRO A 112 65.287 54.717 80.251 1.00 39.36 C +ATOM 1630 O PRO A 112 64.708 55.443 81.057 1.00 46.86 O +ATOM 1631 CB PRO A 112 64.449 52.328 80.398 1.00 47.82 C +ATOM 1632 CG PRO A 112 64.512 51.422 81.628 1.00 66.09 C +ATOM 1633 CD PRO A 112 64.922 52.419 82.703 1.00 65.12 C +ATOM 1634 HA PRO A 112 66.496 52.931 80.058 1.00 45.83 H +ATOM 1635 HB2 PRO A 112 63.508 52.876 80.393 1.00 57.38 H +ATOM 1636 HB3 PRO A 112 64.560 51.759 79.476 1.00 57.38 H +ATOM 1637 HG2 PRO A 112 63.563 50.933 81.846 1.00 79.31 H +ATOM 1638 HG3 PRO A 112 65.297 50.677 81.499 1.00 79.31 H +ATOM 1639 HD2 PRO A 112 64.078 53.052 82.971 1.00 78.14 H +ATOM 1640 HD3 PRO A 112 65.309 51.898 83.577 1.00 78.14 H +ATOM 1641 N VAL A 113 65.717 55.150 79.067 1.00 41.95 N +ATOM 1642 CA VAL A 113 65.891 56.577 78.752 1.00 43.09 C +ATOM 1643 C VAL A 113 64.643 57.460 78.990 1.00 46.11 C +ATOM 1644 O VAL A 113 63.508 57.024 78.805 1.00 51.72 O +ATOM 1645 CB VAL A 113 66.464 56.756 77.340 1.00 36.83 C +ATOM 1646 CG1 VAL A 113 67.886 56.197 77.252 1.00 33.24 C +ATOM 1647 CG2 VAL A 113 65.615 56.124 76.242 1.00 48.64 C +ATOM 1648 H VAL A 113 66.146 54.482 78.445 1.00 50.34 H +ATOM 1649 HA VAL A 113 66.653 56.950 79.436 1.00 51.71 H +ATOM 1650 HB VAL A 113 66.517 57.825 77.144 1.00 44.19 H +ATOM 1651 HG11 VAL A 113 68.275 56.340 76.246 1.00 39.89 H +ATOM 1652 HG12 VAL A 113 68.531 56.713 77.958 1.00 39.89 H +ATOM 1653 HG13 VAL A 113 67.897 55.133 77.472 1.00 39.89 H +ATOM 1654 HG21 VAL A 113 66.034 56.372 75.268 1.00 58.37 H +ATOM 1655 HG22 VAL A 113 65.591 55.042 76.346 1.00 58.37 H +ATOM 1656 HG23 VAL A 113 64.601 56.514 76.290 1.00 58.37 H +ATOM 1657 N PHE A 114 64.877 58.706 79.430 1.00 37.00 N +ATOM 1658 CA PHE A 114 63.875 59.721 79.793 1.00 34.68 C +ATOM 1659 C PHE A 114 62.887 60.040 78.642 1.00 30.65 C +ATOM 1660 O PHE A 114 63.058 59.544 77.533 1.00 31.90 O +ATOM 1661 CB PHE A 114 64.594 61.004 80.251 1.00 39.22 C +ATOM 1662 CG PHE A 114 65.812 60.905 81.175 1.00 44.90 C +ATOM 1663 CD1 PHE A 114 67.089 60.634 80.637 1.00 44.85 C +ATOM 1664 CD2 PHE A 114 65.706 61.262 82.537 1.00 42.22 C +ATOM 1665 CE1 PHE A 114 68.243 60.719 81.435 1.00 29.64 C +ATOM 1666 CE2 PHE A 114 66.858 61.346 83.341 1.00 36.77 C +ATOM 1667 CZ PHE A 114 68.126 61.086 82.788 1.00 28.93 C +ATOM 1668 H PHE A 114 65.841 58.969 79.574 1.00 44.40 H +ATOM 1669 HA PHE A 114 63.298 59.337 80.634 1.00 41.61 H +ATOM 1670 HB2 PHE A 114 64.920 61.532 79.356 1.00 47.06 H +ATOM 1671 HB3 PHE A 114 63.856 61.648 80.727 1.00 47.06 H +ATOM 1672 HD1 PHE A 114 67.191 60.413 79.585 1.00 53.82 H +ATOM 1673 HD2 PHE A 114 64.742 61.502 82.960 1.00 50.66 H +ATOM 1674 HE1 PHE A 114 69.208 60.551 80.982 1.00 35.57 H +ATOM 1675 HE2 PHE A 114 66.766 61.619 84.381 1.00 44.13 H +ATOM 1676 HZ PHE A 114 69.002 61.192 83.410 1.00 34.72 H +ATOM 1677 N GLU A 115 61.818 60.821 78.874 1.00 28.32 N +ATOM 1678 CA GLU A 115 60.622 60.644 78.036 1.00 24.66 C +ATOM 1679 C GLU A 115 59.828 61.875 77.573 1.00 28.27 C +ATOM 1680 O GLU A 115 59.174 61.734 76.545 1.00 35.36 O +ATOM 1681 CB GLU A 115 59.745 59.602 78.735 1.00 34.73 C +ATOM 1682 CG GLU A 115 58.612 59.027 77.880 1.00 44.04 C +ATOM 1683 CD GLU A 115 57.295 59.820 77.902 1.00 56.73 C +ATOM 1684 OE1 GLU A 115 56.939 60.400 78.954 1.00 50.86 O +ATOM 1685 OE2 GLU A 115 56.544 59.736 76.903 1.00 60.67 O +ATOM 1686 H GLU A 115 61.722 61.274 79.770 1.00 33.99 H +ATOM 1687 HA GLU A 115 60.920 60.185 77.094 1.00 29.59 H +ATOM 1688 HB2 GLU A 115 60.385 58.758 78.993 1.00 41.68 H +ATOM 1689 HB3 GLU A 115 59.366 60.005 79.674 1.00 41.68 H +ATOM 1690 HG2 GLU A 115 58.973 58.900 76.860 1.00 52.84 H +ATOM 1691 HG3 GLU A 115 58.395 58.031 78.263 1.00 52.84 H +ATOM 1692 N TYR A 116 59.876 63.066 78.196 1.00 29.26 N +ATOM 1693 CA TYR A 116 59.152 64.252 77.665 1.00 31.05 C +ATOM 1694 C TYR A 116 59.795 65.615 77.998 1.00 30.23 C +ATOM 1695 O TYR A 116 60.356 65.764 79.076 1.00 31.10 O +ATOM 1696 CB TYR A 116 57.679 64.212 78.101 1.00 31.93 C +ATOM 1697 CG TYR A 116 56.850 65.356 77.566 1.00 34.68 C +ATOM 1698 CD1 TYR A 116 56.727 65.512 76.177 1.00 37.55 C +ATOM 1699 CD2 TYR A 116 56.260 66.296 78.434 1.00 41.04 C +ATOM 1700 CE1 TYR A 116 56.089 66.646 75.644 1.00 47.06 C +ATOM 1701 CE2 TYR A 116 55.588 67.416 77.906 1.00 48.32 C +ATOM 1702 CZ TYR A 116 55.542 67.615 76.511 1.00 51.90 C +ATOM 1703 OH TYR A 116 55.007 68.754 76.002 1.00 55.48 O +ATOM 1704 H TYR A 116 60.472 63.189 79.001 1.00 35.12 H +ATOM 1705 HA TYR A 116 59.166 64.181 76.578 1.00 37.26 H +ATOM 1706 HB2 TYR A 116 57.229 63.278 77.766 1.00 38.31 H +ATOM 1707 HB3 TYR A 116 57.624 64.239 79.188 1.00 38.31 H +ATOM 1708 HD1 TYR A 116 57.156 64.774 75.515 1.00 45.06 H +ATOM 1709 HD2 TYR A 116 56.335 66.172 79.504 1.00 49.24 H +ATOM 1710 HE1 TYR A 116 56.035 66.784 74.575 1.00 56.48 H +ATOM 1711 HE2 TYR A 116 55.137 68.144 78.562 1.00 57.98 H +ATOM 1712 HH TYR A 116 55.135 68.802 75.053 1.00 66.58 H +ATOM 1713 N TRP A 117 59.677 66.599 77.089 1.00 30.28 N +ATOM 1714 CA TRP A 117 60.452 67.855 76.998 1.00 26.64 C +ATOM 1715 C TRP A 117 59.619 69.150 76.997 1.00 30.37 C +ATOM 1716 O TRP A 117 58.578 69.220 76.352 1.00 35.90 O +ATOM 1717 CB TRP A 117 61.199 67.880 75.654 1.00 23.31 C +ATOM 1718 CG TRP A 117 62.517 67.192 75.583 1.00 19.91 C +ATOM 1719 CD1 TRP A 117 62.848 66.173 74.768 1.00 23.43 C +ATOM 1720 CD2 TRP A 117 63.726 67.534 76.300 1.00 17.15 C +ATOM 1721 NE1 TRP A 117 64.173 65.858 74.951 1.00 21.46 N +ATOM 1722 CE2 TRP A 117 64.732 66.606 75.944 1.00 18.63 C +ATOM 1723 CE3 TRP A 117 64.055 68.511 77.254 1.00 24.86 C +ATOM 1724 CZ2 TRP A 117 65.963 66.555 76.592 1.00 28.16 C +ATOM 1725 CZ3 TRP A 117 65.264 68.437 77.963 1.00 33.24 C +ATOM 1726 CH2 TRP A 117 66.187 67.422 77.667 1.00 20.32 C +ATOM 1727 H TRP A 117 59.062 66.417 76.311 1.00 36.33 H +ATOM 1728 HA TRP A 117 61.173 67.903 77.814 1.00 31.97 H +ATOM 1729 HB2 TRP A 117 60.546 67.496 74.871 1.00 27.97 H +ATOM 1730 HB3 TRP A 117 61.409 68.916 75.390 1.00 27.97 H +ATOM 1731 HD1 TRP A 117 62.182 65.703 74.061 1.00 28.11 H +ATOM 1732 HE1 TRP A 117 64.661 65.130 74.450 1.00 25.75 H +ATOM 1733 HE3 TRP A 117 63.329 69.273 77.495 1.00 29.84 H +ATOM 1734 HZ2 TRP A 117 66.689 65.800 76.330 1.00 33.79 H +ATOM 1735 HZ3 TRP A 117 65.476 69.136 78.758 1.00 39.88 H +ATOM 1736 HH2 TRP A 117 67.074 67.303 78.271 1.00 24.38 H +ATOM 1737 N GLY A 118 60.145 70.224 77.593 1.00 29.70 N +ATOM 1738 CA GLY A 118 59.612 71.593 77.514 1.00 36.86 C +ATOM 1739 C GLY A 118 59.871 72.338 76.196 1.00 31.94 C +ATOM 1740 O GLY A 118 60.451 71.785 75.267 1.00 32.34 O +ATOM 1741 H GLY A 118 60.973 70.078 78.153 1.00 35.64 H +ATOM 1742 HA2 GLY A 118 58.533 71.554 77.657 1.00 44.24 H +ATOM 1743 HA3 GLY A 118 60.033 72.183 78.326 1.00 44.24 H +ATOM 1744 N GLN A 119 59.433 73.599 76.108 1.00 32.34 N +ATOM 1745 CA GLN A 119 59.508 74.465 74.917 1.00 31.69 C +ATOM 1746 C GLN A 119 60.770 75.347 74.870 1.00 34.66 C +ATOM 1747 O GLN A 119 61.298 75.583 73.789 1.00 37.12 O +ATOM 1748 CB GLN A 119 58.287 75.403 74.862 1.00 33.24 C +ATOM 1749 CG GLN A 119 56.909 74.723 74.767 1.00 34.40 C +ATOM 1750 CD GLN A 119 56.553 74.195 73.382 1.00 33.01 C +ATOM 1751 OE1 GLN A 119 57.314 74.247 72.428 1.00 31.09 O +ATOM 1752 NE2 GLN A 119 55.365 73.665 73.215 1.00 39.84 N +ATOM 1753 H GLN A 119 59.086 74.040 76.948 1.00 38.81 H +ATOM 1754 HA GLN A 119 59.504 73.845 74.021 1.00 38.02 H +ATOM 1755 HB2 GLN A 119 58.292 76.022 75.759 1.00 39.89 H +ATOM 1756 HB3 GLN A 119 58.396 76.081 74.016 1.00 39.89 H +ATOM 1757 HG2 GLN A 119 56.841 73.910 75.488 1.00 41.27 H +ATOM 1758 HG3 GLN A 119 56.152 75.459 75.038 1.00 41.27 H +ATOM 1759 HE21 GLN A 119 55.116 73.316 72.301 1.00 47.81 H +ATOM 1760 HE22 GLN A 119 54.717 73.619 73.986 1.00 47.81 H +ATOM 1761 N GLY A 120 61.260 75.843 76.009 1.00 38.73 N +ATOM 1762 CA GLY A 120 62.529 76.584 76.144 1.00 42.67 C +ATOM 1763 C GLY A 120 62.566 78.039 75.658 1.00 51.31 C +ATOM 1764 O GLY A 120 61.638 78.537 75.022 1.00 56.41 O +ATOM 1765 H GLY A 120 60.705 75.687 76.837 1.00 46.48 H +ATOM 1766 HA2 GLY A 120 62.817 76.577 77.195 1.00 51.21 H +ATOM 1767 HA3 GLY A 120 63.314 76.073 75.587 1.00 51.21 H +ATOM 1768 N THR A 121 63.659 78.738 75.980 1.00 50.03 N +ATOM 1769 CA THR A 121 63.843 80.181 75.714 1.00 55.69 C +ATOM 1770 C THR A 121 65.311 80.560 75.531 1.00 52.36 C +ATOM 1771 O THR A 121 66.205 79.892 76.053 1.00 49.45 O +ATOM 1772 CB THR A 121 63.224 81.022 76.845 1.00 69.48 C +ATOM 1773 OG1 THR A 121 63.394 82.409 76.626 1.00 67.93 O +ATOM 1774 CG2 THR A 121 63.787 80.701 78.231 1.00 63.74 C +ATOM 1775 H THR A 121 64.395 78.263 76.482 1.00 60.04 H +ATOM 1776 HA THR A 121 63.322 80.436 74.792 1.00 66.83 H +ATOM 1777 HB THR A 121 62.155 80.814 76.862 1.00 83.37 H +ATOM 1778 HG1 THR A 121 64.310 82.640 76.787 1.00 81.52 H +ATOM 1779 HG21 THR A 121 63.202 81.223 78.987 1.00 76.49 H +ATOM 1780 HG22 THR A 121 63.700 79.636 78.437 1.00 76.49 H +ATOM 1781 HG23 THR A 121 64.834 80.988 78.302 1.00 76.49 H +ATOM 1782 N ARG A 122 65.551 81.673 74.831 1.00 49.81 N +ATOM 1783 CA ARG A 122 66.848 82.354 74.697 1.00 50.13 C +ATOM 1784 C ARG A 122 67.306 82.990 76.014 1.00 55.66 C +ATOM 1785 O ARG A 122 66.485 83.473 76.794 1.00 59.26 O +ATOM 1786 CB ARG A 122 66.687 83.420 73.597 1.00 52.33 C +ATOM 1787 CG ARG A 122 68.004 84.015 73.080 1.00 56.32 C +ATOM 1788 CD ARG A 122 67.763 85.194 72.123 1.00 70.02 C +ATOM 1789 NE ARG A 122 67.065 84.802 70.881 1.00 76.80 N +ATOM 1790 CZ ARG A 122 66.686 85.601 69.897 1.00 63.92 C +ATOM 1791 NH1 ARG A 122 66.082 85.120 68.850 1.00 55.88 N +ATOM 1792 NH2 ARG A 122 66.901 86.883 69.918 1.00 45.30 N +ATOM 1793 H ARG A 122 64.752 82.129 74.417 1.00 59.77 H +ATOM 1794 HA ARG A 122 67.603 81.630 74.394 1.00 60.16 H +ATOM 1795 HB2 ARG A 122 66.170 82.972 72.750 1.00 62.79 H +ATOM 1796 HB3 ARG A 122 66.060 84.224 73.979 1.00 62.79 H +ATOM 1797 HG2 ARG A 122 68.588 84.391 73.919 1.00 67.58 H +ATOM 1798 HG3 ARG A 122 68.581 83.242 72.576 1.00 67.58 H +ATOM 1799 HD2 ARG A 122 67.182 85.951 72.647 1.00 84.03 H +ATOM 1800 HD3 ARG A 122 68.729 85.625 71.867 1.00 84.03 H +ATOM 1801 HE ARG A 122 66.864 83.822 70.750 1.00 92.16 H +ATOM 1802 HH11 ARG A 122 65.886 84.133 68.785 1.00 67.05 H +ATOM 1803 HH12 ARG A 122 65.800 85.739 68.106 1.00 67.05 H +ATOM 1804 HH21 ARG A 122 67.378 87.288 70.710 1.00 54.36 H +ATOM 1805 HH22 ARG A 122 66.605 87.462 69.148 1.00 54.36 H +ATOM 1806 N VAL A 123 68.621 83.024 76.210 1.00 55.51 N +ATOM 1807 CA VAL A 123 69.361 83.774 77.237 1.00 60.22 C +ATOM 1808 C VAL A 123 70.523 84.504 76.575 1.00 61.86 C +ATOM 1809 O VAL A 123 71.262 83.888 75.810 1.00 55.48 O +ATOM 1810 CB VAL A 123 69.922 82.825 78.303 1.00 61.59 C +ATOM 1811 CG1 VAL A 123 70.816 83.549 79.316 1.00 65.11 C +ATOM 1812 CG2 VAL A 123 68.786 82.140 79.063 1.00 71.36 C +ATOM 1813 H VAL A 123 69.185 82.493 75.562 1.00 66.61 H +ATOM 1814 HA VAL A 123 68.703 84.491 77.728 1.00 72.27 H +ATOM 1815 HB VAL A 123 70.522 82.064 77.807 1.00 73.91 H +ATOM 1816 HG11 VAL A 123 71.111 82.857 80.104 1.00 78.14 H +ATOM 1817 HG12 VAL A 123 71.727 83.909 78.843 1.00 78.14 H +ATOM 1818 HG13 VAL A 123 70.278 84.381 79.766 1.00 78.14 H +ATOM 1819 HG21 VAL A 123 69.199 81.471 79.815 1.00 85.63 H +ATOM 1820 HG22 VAL A 123 68.162 82.886 79.551 1.00 85.63 H +ATOM 1821 HG23 VAL A 123 68.176 81.552 78.380 1.00 85.63 H +ATOM 1822 N THR A 124 70.741 85.792 76.851 1.00 65.85 N +ATOM 1823 CA THR A 124 71.874 86.545 76.283 1.00 67.14 C +ATOM 1824 C THR A 124 72.485 87.567 77.228 1.00 64.37 C +ATOM 1825 O THR A 124 71.785 88.397 77.804 1.00 69.52 O +ATOM 1826 CB THR A 124 71.467 87.217 74.969 1.00 71.04 C +ATOM 1827 OG1 THR A 124 71.238 86.220 74.007 1.00 76.81 O +ATOM 1828 CG2 THR A 124 72.517 88.150 74.372 1.00 70.00 C +ATOM 1829 H THR A 124 70.064 86.284 77.416 1.00 79.03 H +ATOM 1830 HA THR A 124 72.675 85.843 76.055 1.00 80.57 H +ATOM 1831 HB THR A 124 70.548 87.780 75.126 1.00 85.25 H +ATOM 1832 HG1 THR A 124 71.076 85.399 74.471 1.00 92.18 H +ATOM 1833 HG21 THR A 124 72.205 88.462 73.377 1.00 84.00 H +ATOM 1834 HG22 THR A 124 72.618 89.042 74.987 1.00 84.00 H +ATOM 1835 HG23 THR A 124 73.476 87.643 74.300 1.00 84.00 H +ATOM 1836 N VAL A 125 73.818 87.536 77.309 1.00 66.58 N +ATOM 1837 CA VAL A 125 74.677 88.514 77.992 1.00 68.05 C +ATOM 1838 C VAL A 125 74.602 89.865 77.271 1.00 74.78 C +ATOM 1839 O VAL A 125 75.288 90.108 76.284 1.00 73.90 O +ATOM 1840 CB VAL A 125 76.108 87.948 78.081 1.00 59.78 C +ATOM 1841 CG1 VAL A 125 77.087 88.941 78.697 1.00 60.77 C +ATOM 1842 CG2 VAL A 125 76.123 86.706 78.977 1.00 55.95 C +ATOM 1843 H VAL A 125 74.299 86.809 76.799 1.00 79.90 H +ATOM 1844 HA VAL A 125 74.318 88.667 79.009 1.00 81.65 H +ATOM 1845 HB VAL A 125 76.462 87.674 77.087 1.00 71.74 H +ATOM 1846 HG11 VAL A 125 78.063 88.474 78.817 1.00 72.93 H +ATOM 1847 HG12 VAL A 125 77.209 89.809 78.051 1.00 72.93 H +ATOM 1848 HG13 VAL A 125 76.721 89.263 79.671 1.00 72.93 H +ATOM 1849 HG21 VAL A 125 77.123 86.276 78.969 1.00 67.14 H +ATOM 1850 HG22 VAL A 125 75.865 86.972 80.000 1.00 67.14 H +ATOM 1851 HG23 VAL A 125 75.427 85.946 78.626 1.00 67.14 H +ATOM 1852 N SER A 126 73.699 90.724 77.738 1.00 74.47 N +ATOM 1853 CA SER A 126 73.177 91.913 77.053 1.00 72.55 C +ATOM 1854 C SER A 126 74.010 93.194 77.266 1.00 67.92 C +ATOM 1855 O SER A 126 73.468 94.303 77.277 1.00 67.75 O +ATOM 1856 CB SER A 126 71.711 92.071 77.469 1.00 71.85 C +ATOM 1857 OG SER A 126 71.083 93.104 76.742 1.00 75.01 O +ATOM 1858 H SER A 126 73.210 90.453 78.578 1.00 89.36 H +ATOM 1859 HA SER A 126 73.189 91.713 75.982 1.00 87.06 H +ATOM 1860 HB2 SER A 126 71.191 91.134 77.272 1.00 86.22 H +ATOM 1861 HB3 SER A 126 71.647 92.278 78.536 1.00 86.22 H +ATOM 1862 HG SER A 126 71.604 93.897 76.877 1.00 90.01 H +ATOM 1863 N SER A 127 75.321 93.052 77.462 1.00 63.44 N +ATOM 1864 CA SER A 127 76.253 94.149 77.765 1.00 62.50 C +ATOM 1865 C SER A 127 77.010 94.712 76.558 1.00 61.73 C +ATOM 1866 O SER A 127 77.641 95.762 76.678 1.00 63.26 O +ATOM 1867 CB SER A 127 77.267 93.656 78.799 1.00 65.12 C +ATOM 1868 OG SER A 127 77.984 92.532 78.312 1.00 63.07 O +ATOM 1869 H SER A 127 75.700 92.117 77.466 1.00 76.12 H +ATOM 1870 HA SER A 127 75.702 94.973 78.217 1.00 75.00 H +ATOM 1871 HB2 SER A 127 77.960 94.458 79.050 1.00 78.15 H +ATOM 1872 HB3 SER A 127 76.735 93.372 79.705 1.00 78.15 H +ATOM 1873 HG SER A 127 78.784 92.841 77.883 1.00 75.69 H +ATOM 1874 N ALA A 128 77.016 94.025 75.414 1.00 55.91 N +ATOM 1875 CA ALA A 128 77.889 94.362 74.288 1.00 48.29 C +ATOM 1876 C ALA A 128 77.637 95.774 73.737 1.00 42.11 C +ATOM 1877 O ALA A 128 76.497 96.203 73.557 1.00 44.70 O +ATOM 1878 CB ALA A 128 77.729 93.302 73.195 1.00 55.91 C +ATOM 1879 H ALA A 128 76.475 93.176 75.360 1.00 67.10 H +ATOM 1880 HA ALA A 128 78.920 94.320 74.638 1.00 57.95 H +ATOM 1881 HB1 ALA A 128 78.372 93.543 72.350 1.00 67.09 H +ATOM 1882 HB2 ALA A 128 78.010 92.323 73.581 1.00 67.09 H +ATOM 1883 HB3 ALA A 128 76.695 93.269 72.854 1.00 67.09 H +ATOM 1884 N SER A 129 78.714 96.491 73.434 1.00 38.24 N +ATOM 1885 CA SER A 129 78.661 97.788 72.764 1.00 43.97 C +ATOM 1886 C SER A 129 78.146 97.658 71.324 1.00 45.94 C +ATOM 1887 O SER A 129 78.508 96.727 70.606 1.00 50.59 O +ATOM 1888 CB SER A 129 80.057 98.425 72.794 1.00 51.34 C +ATOM 1889 OG SER A 129 81.051 97.555 72.271 1.00 49.55 O +ATOM 1890 H SER A 129 79.625 96.086 73.587 1.00 45.89 H +ATOM 1891 HA SER A 129 77.985 98.441 73.313 1.00 52.76 H +ATOM 1892 HB2 SER A 129 80.044 99.353 72.226 1.00 61.61 H +ATOM 1893 HB3 SER A 129 80.311 98.661 73.827 1.00 61.61 H +ATOM 1894 HG SER A 129 80.847 97.385 71.354 1.00 59.46 H +ATOM 1895 N THR A 130 77.332 98.606 70.861 1.00 47.87 N +ATOM 1896 CA THR A 130 76.933 98.706 69.443 1.00 52.03 C +ATOM 1897 C THR A 130 78.166 98.901 68.550 1.00 54.07 C +ATOM 1898 O THR A 130 79.094 99.624 68.921 1.00 53.23 O +ATOM 1899 CB THR A 130 75.922 99.854 69.250 1.00 58.05 C +ATOM 1900 OG1 THR A 130 74.735 99.535 69.937 1.00 56.59 O +ATOM 1901 CG2 THR A 130 75.504 100.124 67.805 1.00 61.36 C +ATOM 1902 H THR A 130 77.028 99.334 71.491 1.00 57.45 H +ATOM 1903 HA THR A 130 76.443 97.779 69.147 1.00 62.44 H +ATOM 1904 HB THR A 130 76.339 100.768 69.667 1.00 69.66 H +ATOM 1905 HG1 THR A 130 74.191 100.313 69.943 1.00 67.90 H +ATOM 1906 HG21 THR A 130 74.723 100.882 67.782 1.00 73.64 H +ATOM 1907 HG22 THR A 130 76.352 100.496 67.233 1.00 73.64 H +ATOM 1908 HG23 THR A 130 75.128 99.209 67.352 1.00 73.64 H +ATOM 1909 N LYS A 131 78.183 98.276 67.366 1.00 56.15 N +ATOM 1910 CA LYS A 131 79.263 98.367 66.370 1.00 57.72 C +ATOM 1911 C LYS A 131 78.722 98.225 64.942 1.00 52.33 C +ATOM 1912 O LYS A 131 78.103 97.216 64.610 1.00 52.43 O +ATOM 1913 CB LYS A 131 80.325 97.298 66.688 1.00 56.79 C +ATOM 1914 CG LYS A 131 81.511 97.354 65.716 1.00 53.08 C +ATOM 1915 CD LYS A 131 82.502 96.210 65.961 1.00 56.61 C +ATOM 1916 CE LYS A 131 83.652 96.204 64.943 1.00 64.70 C +ATOM 1917 NZ LYS A 131 83.201 95.962 63.544 1.00 61.73 N +ATOM 1918 H LYS A 131 77.386 97.702 67.130 1.00 67.38 H +ATOM 1919 HA LYS A 131 79.737 99.345 66.449 1.00 69.27 H +ATOM 1920 HB2 LYS A 131 80.695 97.449 67.701 1.00 68.15 H +ATOM 1921 HB3 LYS A 131 79.862 96.313 66.639 1.00 68.15 H +ATOM 1922 HG2 LYS A 131 81.135 97.267 64.698 1.00 63.70 H +ATOM 1923 HG3 LYS A 131 82.022 98.309 65.825 1.00 63.70 H +ATOM 1924 HD2 LYS A 131 82.923 96.321 66.959 1.00 67.93 H +ATOM 1925 HD3 LYS A 131 81.981 95.256 65.919 1.00 67.93 H +ATOM 1926 HE2 LYS A 131 84.177 97.155 65.008 1.00 77.65 H +ATOM 1927 HE3 LYS A 131 84.355 95.426 65.238 1.00 77.65 H +ATOM 1928 HZ1 LYS A 131 83.998 95.887 62.929 1.00 74.07 H +ATOM 1929 HZ2 LYS A 131 82.668 95.109 63.461 1.00 74.07 H +ATOM 1930 HZ3 LYS A 131 82.635 96.725 63.205 1.00 74.07 H +ATOM 1931 N GLY A 132 78.996 99.209 64.090 1.00 49.17 N +ATOM 1932 CA GLY A 132 78.624 99.185 62.674 1.00 47.97 C +ATOM 1933 C GLY A 132 79.450 98.201 61.824 1.00 46.55 C +ATOM 1934 O GLY A 132 80.537 97.777 62.225 1.00 48.78 O +ATOM 1935 H GLY A 132 79.522 100.001 64.429 1.00 59.00 H +ATOM 1936 HA2 GLY A 132 77.570 98.919 62.608 1.00 57.57 H +ATOM 1937 HA3 GLY A 132 78.740 100.181 62.249 1.00 57.57 H +ATOM 1938 N PRO A 133 78.937 97.809 60.650 1.00 47.03 N +ATOM 1939 CA PRO A 133 79.510 96.744 59.830 1.00 51.49 C +ATOM 1940 C PRO A 133 80.736 97.124 58.993 1.00 51.10 C +ATOM 1941 O PRO A 133 81.046 98.295 58.782 1.00 51.97 O +ATOM 1942 CB PRO A 133 78.354 96.310 58.922 1.00 55.39 C +ATOM 1943 CG PRO A 133 77.545 97.590 58.732 1.00 54.40 C +ATOM 1944 CD PRO A 133 77.661 98.252 60.101 1.00 48.45 C +ATOM 1945 HA PRO A 133 79.810 95.910 60.463 1.00 61.79 H +ATOM 1946 HB2 PRO A 133 78.703 95.913 57.970 1.00 66.46 H +ATOM 1947 HB3 PRO A 133 77.738 95.574 59.437 1.00 66.46 H +ATOM 1948 HG2 PRO A 133 78.015 98.216 57.974 1.00 65.28 H +ATOM 1949 HG3 PRO A 133 76.509 97.381 58.471 1.00 65.28 H +ATOM 1950 HD2 PRO A 133 77.619 99.337 60.006 1.00 58.15 H +ATOM 1951 HD3 PRO A 133 76.852 97.900 60.739 1.00 58.15 H +ATOM 1952 N SER A 134 81.365 96.088 58.433 1.00 52.05 N +ATOM 1953 CA SER A 134 82.136 96.150 57.186 1.00 52.30 C +ATOM 1954 C SER A 134 81.335 95.500 56.050 1.00 51.87 C +ATOM 1955 O SER A 134 80.717 94.456 56.267 1.00 56.66 O +ATOM 1956 CB SER A 134 83.483 95.451 57.377 1.00 54.61 C +ATOM 1957 OG SER A 134 84.301 95.645 56.240 1.00 56.49 O +ATOM 1958 H SER A 134 81.078 95.166 58.724 1.00 62.46 H +ATOM 1959 HA SER A 134 82.328 97.191 56.926 1.00 62.76 H +ATOM 1960 HB2 SER A 134 83.981 95.883 58.245 1.00 65.53 H +ATOM 1961 HB3 SER A 134 83.334 94.387 57.557 1.00 65.53 H +ATOM 1962 HG SER A 134 84.104 94.985 55.574 1.00 67.78 H +ATOM 1963 N VAL A 135 81.315 96.103 54.856 1.00 49.02 N +ATOM 1964 CA VAL A 135 80.446 95.694 53.730 1.00 53.59 C +ATOM 1965 C VAL A 135 81.227 95.526 52.420 1.00 57.63 C +ATOM 1966 O VAL A 135 82.042 96.384 52.086 1.00 62.46 O +ATOM 1967 CB VAL A 135 79.284 96.692 53.555 1.00 56.13 C +ATOM 1968 CG1 VAL A 135 78.346 96.299 52.408 1.00 59.84 C +ATOM 1969 CG2 VAL A 135 78.448 96.792 54.836 1.00 55.47 C +ATOM 1970 H VAL A 135 81.877 96.931 54.732 1.00 58.82 H +ATOM 1971 HA VAL A 135 80.000 94.730 53.974 1.00 64.31 H +ATOM 1972 HB VAL A 135 79.693 97.677 53.337 1.00 67.36 H +ATOM 1973 HG11 VAL A 135 77.511 96.996 52.356 1.00 71.81 H +ATOM 1974 HG12 VAL A 135 78.865 96.340 51.453 1.00 71.81 H +ATOM 1975 HG13 VAL A 135 77.960 95.294 52.568 1.00 71.81 H +ATOM 1976 HG21 VAL A 135 77.571 97.413 54.665 1.00 66.56 H +ATOM 1977 HG22 VAL A 135 78.134 95.797 55.144 1.00 66.56 H +ATOM 1978 HG23 VAL A 135 79.032 97.245 55.633 1.00 66.56 H +ATOM 1979 N PHE A 136 80.972 94.454 51.658 1.00 60.17 N +ATOM 1980 CA PHE A 136 81.721 94.108 50.430 1.00 65.98 C +ATOM 1981 C PHE A 136 80.794 93.547 49.322 1.00 67.68 C +ATOM 1982 O PHE A 136 80.094 92.574 49.597 1.00 67.11 O +ATOM 1983 CB PHE A 136 82.796 93.046 50.753 1.00 70.28 C +ATOM 1984 CG PHE A 136 83.724 93.306 51.932 1.00 67.46 C +ATOM 1985 CD1 PHE A 136 83.290 93.021 53.241 1.00 65.81 C +ATOM 1986 CD2 PHE A 136 85.043 93.745 51.725 1.00 75.28 C +ATOM 1987 CE1 PHE A 136 84.157 93.180 54.332 1.00 59.12 C +ATOM 1988 CE2 PHE A 136 85.913 93.901 52.818 1.00 80.73 C +ATOM 1989 CZ PHE A 136 85.473 93.617 54.120 1.00 62.47 C +ATOM 1990 H PHE A 136 80.310 93.778 52.009 1.00 72.20 H +ATOM 1991 HA PHE A 136 82.236 94.994 50.060 1.00 79.17 H +ATOM 1992 HB2 PHE A 136 82.295 92.098 50.949 1.00 84.34 H +ATOM 1993 HB3 PHE A 136 83.400 92.897 49.859 1.00 84.34 H +ATOM 1994 HD1 PHE A 136 82.288 92.656 53.409 1.00 78.97 H +ATOM 1995 HD2 PHE A 136 85.399 93.948 50.726 1.00 90.34 H +ATOM 1996 HE1 PHE A 136 83.818 92.930 55.326 1.00 70.94 H +ATOM 1997 HE2 PHE A 136 86.931 94.223 52.657 1.00 96.88 H +ATOM 1998 HZ PHE A 136 86.152 93.723 54.952 1.00 74.96 H +ATOM 1999 N PRO A 137 80.770 94.083 48.085 1.00 70.80 N +ATOM 2000 CA PRO A 137 79.890 93.619 47.005 1.00 69.13 C +ATOM 2001 C PRO A 137 80.547 92.597 46.050 1.00 74.14 C +ATOM 2002 O PRO A 137 81.724 92.258 46.180 1.00 71.77 O +ATOM 2003 CB PRO A 137 79.495 94.906 46.275 1.00 73.62 C +ATOM 2004 CG PRO A 137 80.801 95.689 46.314 1.00 83.04 C +ATOM 2005 CD PRO A 137 81.365 95.352 47.698 1.00 75.09 C +ATOM 2006 HA PRO A 137 78.989 93.166 47.416 1.00 82.96 H +ATOM 2007 HB2 PRO A 137 79.151 94.741 45.255 1.00 88.35 H +ATOM 2008 HB3 PRO A 137 78.734 95.434 46.849 1.00 88.35 H +ATOM 2009 HG2 PRO A 137 81.475 95.320 45.542 1.00 99.65 H +ATOM 2010 HG3 PRO A 137 80.629 96.757 46.185 1.00 99.65 H +ATOM 2011 HD2 PRO A 137 82.452 95.286 47.660 1.00 90.10 H +ATOM 2012 HD3 PRO A 137 81.056 96.119 48.407 1.00 90.10 H +ATOM 2013 N LEU A 138 79.774 92.149 45.053 1.00 79.42 N +ATOM 2014 CA LEU A 138 80.159 91.242 43.961 1.00 85.21 C +ATOM 2015 C LEU A 138 80.078 91.933 42.591 1.00 83.96 C +ATOM 2016 O LEU A 138 79.182 92.739 42.363 1.00 82.64 O +ATOM 2017 CB LEU A 138 79.209 90.027 43.937 1.00 82.80 C +ATOM 2018 CG LEU A 138 79.127 89.182 45.219 1.00 86.57 C +ATOM 2019 CD1 LEU A 138 78.095 88.070 45.035 1.00 80.73 C +ATOM 2020 CD2 LEU A 138 80.460 88.511 45.522 1.00 89.75 C +ATOM 2021 H LEU A 138 78.808 92.444 45.072 1.00 95.31 H +ATOM 2022 HA LEU A 138 81.182 90.898 44.110 1.00102.25 H +ATOM 2023 HB2 LEU A 138 78.208 90.391 43.707 1.00 99.36 H +ATOM 2024 HB3 LEU A 138 79.512 89.374 43.120 1.00 99.36 H +ATOM 2025 HG LEU A 138 78.834 89.799 46.067 1.00103.89 H +ATOM 2026 HD11 LEU A 138 78.060 87.454 45.931 1.00 96.88 H +ATOM 2027 HD12 LEU A 138 77.103 88.484 44.869 1.00 96.88 H +ATOM 2028 HD13 LEU A 138 78.364 87.441 44.189 1.00 96.88 H +ATOM 2029 HD21 LEU A 138 80.360 87.881 46.404 1.00107.70 H +ATOM 2030 HD22 LEU A 138 80.753 87.894 44.674 1.00107.70 H +ATOM 2031 HD23 LEU A 138 81.221 89.264 45.722 1.00107.70 H +ATOM 2032 N ALA A 139 80.943 91.552 41.652 1.00 86.06 N +ATOM 2033 CA ALA A 139 80.918 92.022 40.265 1.00 81.15 C +ATOM 2034 C ALA A 139 81.142 90.834 39.305 1.00 85.98 C +ATOM 2035 O ALA A 139 82.285 90.416 39.127 1.00 94.48 O +ATOM 2036 CB ALA A 139 81.975 93.121 40.107 1.00 77.99 C +ATOM 2037 H ALA A 139 81.660 90.888 41.901 1.00103.28 H +ATOM 2038 HA ALA A 139 79.958 92.487 40.042 1.00 97.38 H +ATOM 2039 HB1 ALA A 139 81.974 93.487 39.083 1.00 93.58 H +ATOM 2040 HB2 ALA A 139 81.747 93.947 40.777 1.00 93.58 H +ATOM 2041 HB3 ALA A 139 82.962 92.735 40.349 1.00 93.58 H +ATOM 2042 N PRO A 140 80.081 90.235 38.725 1.00 84.15 N +ATOM 2043 CA PRO A 140 80.127 88.888 38.147 1.00 86.21 C +ATOM 2044 C PRO A 140 81.255 88.608 37.143 1.00 91.48 C +ATOM 2045 O PRO A 140 81.547 89.423 36.267 1.00 89.06 O +ATOM 2046 CB PRO A 140 78.750 88.659 37.520 1.00 83.44 C +ATOM 2047 CG PRO A 140 77.847 89.439 38.465 1.00 84.19 C +ATOM 2048 CD PRO A 140 78.692 90.656 38.833 1.00 83.38 C +ATOM 2049 HA PRO A 140 80.234 88.191 38.977 1.00103.45 H +ATOM 2050 HB2 PRO A 140 78.707 89.096 36.524 1.00100.13 H +ATOM 2051 HB3 PRO A 140 78.488 87.602 37.493 1.00100.13 H +ATOM 2052 HG2 PRO A 140 76.912 89.729 37.987 1.00101.03 H +ATOM 2053 HG3 PRO A 140 77.657 88.845 39.358 1.00101.03 H +ATOM 2054 HD2 PRO A 140 78.503 91.462 38.126 1.00100.06 H +ATOM 2055 HD3 PRO A 140 78.444 90.973 39.845 1.00100.06 H +ATOM 2056 N SER A 141 81.854 87.417 37.241 1.00100.05 N +ATOM 2057 CA SER A 141 82.843 86.909 36.278 1.00107.66 C +ATOM 2058 C SER A 141 82.175 86.426 34.985 1.00102.65 C +ATOM 2059 O SER A 141 81.002 86.034 34.974 1.00100.19 O +ATOM 2060 CB SER A 141 83.649 85.767 36.905 1.00100.83 C +ATOM 2061 OG SER A 141 82.831 84.619 37.049 1.00 97.84 O +ATOM 2062 H SER A 141 81.536 86.779 37.955 1.00120.06 H +ATOM 2063 HA SER A 141 83.537 87.711 36.028 1.00129.19 H +ATOM 2064 HB2 SER A 141 84.498 85.525 36.267 1.00120.99 H +ATOM 2065 HB3 SER A 141 84.025 86.083 37.878 1.00120.99 H +ATOM 2066 HG SER A 141 83.064 84.178 37.868 1.00117.41 H +ATOM 2067 N SER A 142 82.923 86.370 33.884 1.00101.59 N +ATOM 2068 CA SER A 142 82.378 85.974 32.577 1.00 97.37 C +ATOM 2069 C SER A 142 81.853 84.534 32.529 1.00 95.87 C +ATOM 2070 O SER A 142 81.011 84.216 31.690 1.00 94.02 O +ATOM 2071 CB SER A 142 83.410 86.213 31.481 1.00110.57 C +ATOM 2072 OG SER A 142 83.717 87.595 31.445 1.00114.15 O +ATOM 2073 H SER A 142 83.864 86.733 33.912 1.00121.91 H +ATOM 2074 HA SER A 142 81.534 86.628 32.361 1.00116.85 H +ATOM 2075 HB2 SER A 142 84.311 85.634 31.684 1.00132.68 H +ATOM 2076 HB3 SER A 142 82.997 85.908 30.520 1.00132.68 H +ATOM 2077 HG SER A 142 84.339 87.746 30.731 1.00136.98 H +ATOM 2078 N LYS A 143 82.231 83.689 33.493 1.00 98.10 N +ATOM 2079 CA LYS A 143 81.689 82.332 33.684 1.00103.25 C +ATOM 2080 C LYS A 143 80.167 82.322 33.907 1.00 93.52 C +ATOM 2081 O LYS A 143 79.488 81.386 33.495 1.00 94.43 O +ATOM 2082 CB LYS A 143 82.436 81.639 34.844 1.00101.27 C +ATOM 2083 CG LYS A 143 83.957 81.636 34.612 1.00111.37 C +ATOM 2084 CD LYS A 143 84.740 80.785 35.619 1.00114.04 C +ATOM 2085 CE LYS A 143 86.233 80.906 35.279 1.00126.27 C +ATOM 2086 NZ LYS A 143 87.083 79.991 36.079 1.00124.37 N +ATOM 2087 H LYS A 143 82.908 84.026 34.161 1.00117.73 H +ATOM 2088 HA LYS A 143 81.869 81.756 32.777 1.00123.91 H +ATOM 2089 HB2 LYS A 143 82.215 82.146 35.781 1.00121.52 H +ATOM 2090 HB3 LYS A 143 82.088 80.611 34.921 1.00121.52 H +ATOM 2091 HG2 LYS A 143 84.150 81.255 33.613 1.00133.65 H +ATOM 2092 HG3 LYS A 143 84.331 82.656 34.667 1.00133.65 H +ATOM 2093 HD2 LYS A 143 84.558 81.147 36.629 1.00136.85 H +ATOM 2094 HD3 LYS A 143 84.419 79.748 35.539 1.00136.85 H +ATOM 2095 HE2 LYS A 143 86.362 80.685 34.221 1.00151.53 H +ATOM 2096 HE3 LYS A 143 86.541 81.937 35.437 1.00151.53 H +ATOM 2097 HZ1 LYS A 143 88.061 80.162 35.900 1.00149.24 H +ATOM 2098 HZ2 LYS A 143 86.942 80.123 37.069 1.00149.24 H +ATOM 2099 HZ3 LYS A 143 86.894 79.026 35.853 1.00149.24 H +ATOM 2100 N SER A 144 79.614 83.403 34.462 1.00 95.38 N +ATOM 2101 CA SER A 144 78.163 83.623 34.603 1.00 92.97 C +ATOM 2102 C SER A 144 77.412 83.886 33.286 1.00 90.19 C +ATOM 2103 O SER A 144 76.184 83.836 33.268 1.00 89.12 O +ATOM 2104 CB SER A 144 77.909 84.822 35.526 1.00 92.55 C +ATOM 2105 OG SER A 144 78.305 86.041 34.916 1.00 99.79 O +ATOM 2106 H SER A 144 80.243 84.114 34.803 1.00114.45 H +ATOM 2107 HA SER A 144 77.721 82.742 35.066 1.00111.57 H +ATOM 2108 HB2 SER A 144 76.844 84.873 35.748 1.00111.07 H +ATOM 2109 HB3 SER A 144 78.447 84.685 36.464 1.00111.07 H +ATOM 2110 HG SER A 144 79.258 86.130 34.985 1.00119.75 H +ATOM 2111 N THR A 145 78.101 84.229 32.191 1.00 87.60 N +ATOM 2112 CA THR A 145 77.448 84.850 31.020 1.00 83.62 C +ATOM 2113 C THR A 145 76.775 83.874 30.055 1.00 92.92 C +ATOM 2114 O THR A 145 75.964 84.306 29.238 1.00 87.56 O +ATOM 2115 CB THR A 145 78.391 85.764 30.236 1.00100.15 C +ATOM 2116 OG1 THR A 145 79.463 85.036 29.686 1.00 98.90 O +ATOM 2117 CG2 THR A 145 78.914 86.911 31.100 1.00 99.98 C +ATOM 2118 H THR A 145 79.110 84.214 32.230 1.00105.12 H +ATOM 2119 HA THR A 145 76.649 85.492 31.389 1.00100.35 H +ATOM 2120 HB THR A 145 77.836 86.207 29.410 1.00120.18 H +ATOM 2121 HG1 THR A 145 80.032 84.745 30.402 1.00118.68 H +ATOM 2122 HG21 THR A 145 79.632 87.500 30.534 1.00119.98 H +ATOM 2123 HG22 THR A 145 78.084 87.555 31.378 1.00119.98 H +ATOM 2124 HG23 THR A 145 79.381 86.538 32.009 1.00119.98 H +ATOM 2125 N SER A 146 77.013 82.566 30.156 1.00 88.25 N +ATOM 2126 CA SER A 146 76.095 81.602 29.539 1.00 81.96 C +ATOM 2127 C SER A 146 74.755 81.666 30.276 1.00 86.31 C +ATOM 2128 O SER A 146 74.707 81.552 31.501 1.00 90.44 O +ATOM 2129 CB SER A 146 76.678 80.191 29.555 1.00 82.64 C +ATOM 2130 OG SER A 146 75.804 79.310 28.877 1.00 80.01 O +ATOM 2131 H SER A 146 77.677 82.238 30.842 1.00105.90 H +ATOM 2132 HA SER A 146 75.939 81.876 28.497 1.00 98.35 H +ATOM 2133 HB2 SER A 146 77.644 80.195 29.053 1.00 99.16 H +ATOM 2134 HB3 SER A 146 76.814 79.860 30.582 1.00 99.16 H +ATOM 2135 HG SER A 146 76.209 78.440 28.867 1.00 96.01 H +ATOM 2136 N GLY A 147 73.666 81.939 29.558 1.00 83.67 N +ATOM 2137 CA GLY A 147 72.378 82.304 30.165 1.00 89.95 C +ATOM 2138 C GLY A 147 72.301 83.750 30.683 1.00 97.97 C +ATOM 2139 O GLY A 147 71.343 84.099 31.373 1.00 95.27 O +ATOM 2140 H GLY A 147 73.754 81.990 28.554 1.00100.41 H +ATOM 2141 HA2 GLY A 147 71.595 82.181 29.417 1.00107.94 H +ATOM 2142 HA3 GLY A 147 72.158 81.633 30.994 1.00107.94 H +ATOM 2143 N GLY A 148 73.294 84.594 30.377 1.00 96.82 N +ATOM 2144 CA GLY A 148 73.225 86.060 30.456 1.00 99.02 C +ATOM 2145 C GLY A 148 72.766 86.669 31.785 1.00 92.63 C +ATOM 2146 O GLY A 148 72.023 87.647 31.772 1.00 92.25 O +ATOM 2147 H GLY A 148 74.061 84.220 29.840 1.00116.18 H +ATOM 2148 HA2 GLY A 148 74.221 86.448 30.245 1.00118.83 H +ATOM 2149 HA3 GLY A 148 72.560 86.422 29.674 1.00118.83 H +ATOM 2150 N THR A 149 73.139 86.095 32.932 1.00 93.51 N +ATOM 2151 CA THR A 149 72.549 86.461 34.235 1.00 94.99 C +ATOM 2152 C THR A 149 73.535 87.183 35.154 1.00 90.13 C +ATOM 2153 O THR A 149 74.459 86.574 35.689 1.00 87.48 O +ATOM 2154 CB THR A 149 71.993 85.203 34.915 1.00 98.30 C +ATOM 2155 OG1 THR A 149 70.934 84.679 34.143 1.00104.14 O +ATOM 2156 CG2 THR A 149 71.424 85.470 36.311 1.00100.16 C +ATOM 2157 H THR A 149 73.776 85.313 32.895 1.00112.21 H +ATOM 2158 HA THR A 149 71.699 87.127 34.085 1.00113.98 H +ATOM 2159 HB THR A 149 72.777 84.450 34.992 1.00117.96 H +ATOM 2160 HG1 THR A 149 71.245 84.539 33.247 1.00124.97 H +ATOM 2161 HG21 THR A 149 70.900 84.584 36.664 1.00120.19 H +ATOM 2162 HG22 THR A 149 72.230 85.683 37.012 1.00120.19 H +ATOM 2163 HG23 THR A 149 70.732 86.310 36.284 1.00120.19 H +ATOM 2164 N ALA A 150 73.286 88.467 35.423 1.00 90.82 N +ATOM 2165 CA ALA A 150 73.956 89.221 36.476 1.00 89.85 C +ATOM 2166 C ALA A 150 73.221 89.015 37.802 1.00 80.67 C +ATOM 2167 O ALA A 150 72.461 89.867 38.256 1.00 78.13 O +ATOM 2168 CB ALA A 150 74.079 90.696 36.077 1.00 97.94 C +ATOM 2169 H ALA A 150 72.482 88.906 35.001 1.00108.98 H +ATOM 2170 HA ALA A 150 74.970 88.842 36.605 1.00107.82 H +ATOM 2171 HB1 ALA A 150 74.443 91.276 36.923 1.00117.53 H +ATOM 2172 HB2 ALA A 150 74.791 90.796 35.261 1.00117.53 H +ATOM 2173 HB3 ALA A 150 73.114 91.089 35.766 1.00117.53 H +ATOM 2174 N ALA A 151 73.452 87.859 38.421 1.00 86.14 N +ATOM 2175 CA ALA A 151 73.195 87.661 39.840 1.00 81.02 C +ATOM 2176 C ALA A 151 74.410 88.160 40.639 1.00 79.26 C +ATOM 2177 O ALA A 151 75.511 87.622 40.521 1.00 82.53 O +ATOM 2178 CB ALA A 151 72.896 86.181 40.095 1.00 79.61 C +ATOM 2179 H ALA A 151 74.043 87.184 37.958 1.00103.37 H +ATOM 2180 HA ALA A 151 72.319 88.237 40.137 1.00 97.23 H +ATOM 2181 HB1 ALA A 151 72.681 86.030 41.152 1.00 95.53 H +ATOM 2182 HB2 ALA A 151 72.033 85.869 39.509 1.00 95.53 H +ATOM 2183 HB3 ALA A 151 73.754 85.569 39.818 1.00 95.53 H +ATOM 2184 N LEU A 152 74.211 89.206 41.433 1.00 74.68 N +ATOM 2185 CA LEU A 152 75.254 89.870 42.217 1.00 74.66 C +ATOM 2186 C LEU A 152 74.709 90.265 43.588 1.00 75.80 C +ATOM 2187 O LEU A 152 73.503 90.251 43.810 1.00 67.04 O +ATOM 2188 CB LEU A 152 75.876 91.046 41.435 1.00 83.01 C +ATOM 2189 CG LEU A 152 75.127 92.396 41.477 1.00 85.48 C +ATOM 2190 CD1 LEU A 152 75.943 93.456 40.736 1.00 82.13 C +ATOM 2191 CD2 LEU A 152 73.739 92.328 40.841 1.00 86.84 C +ATOM 2192 H LEU A 152 73.274 89.572 41.510 1.00 89.62 H +ATOM 2193 HA LEU A 152 76.048 89.147 42.399 1.00 89.60 H +ATOM 2194 HB2 LEU A 152 76.871 91.218 41.844 1.00 99.61 H +ATOM 2195 HB3 LEU A 152 76.005 90.749 40.394 1.00 99.61 H +ATOM 2196 HG LEU A 152 75.020 92.720 42.510 1.00102.57 H +ATOM 2197 HD11 LEU A 152 75.445 94.420 40.810 1.00 98.55 H +ATOM 2198 HD12 LEU A 152 76.929 93.543 41.186 1.00 98.55 H +ATOM 2199 HD13 LEU A 152 76.049 93.188 39.688 1.00 98.55 H +ATOM 2200 HD21 LEU A 152 73.295 93.321 40.813 1.00104.21 H +ATOM 2201 HD22 LEU A 152 73.805 91.932 39.830 1.00104.21 H +ATOM 2202 HD23 LEU A 152 73.092 91.687 41.436 1.00104.21 H +ATOM 2203 N GLY A 153 75.592 90.564 44.529 1.00 73.96 N +ATOM 2204 CA GLY A 153 75.239 90.615 45.940 1.00 68.52 C +ATOM 2205 C GLY A 153 76.289 91.299 46.795 1.00 68.56 C +ATOM 2206 O GLY A 153 77.219 91.902 46.265 1.00 68.84 O +ATOM 2207 H GLY A 153 76.566 90.669 44.287 1.00 88.75 H +ATOM 2208 HA2 GLY A 153 74.293 91.137 46.077 1.00 82.23 H +ATOM 2209 HA3 GLY A 153 75.135 89.588 46.288 1.00 82.23 H +ATOM 2210 N CYS A 154 76.147 91.210 48.115 1.00 59.29 N +ATOM 2211 CA CYS A 154 77.132 91.727 49.059 1.00 57.34 C +ATOM 2212 C CYS A 154 77.139 90.982 50.400 1.00 49.28 C +ATOM 2213 O CYS A 154 76.161 90.333 50.764 1.00 48.47 O +ATOM 2214 CB CYS A 154 76.918 93.234 49.258 1.00 66.79 C +ATOM 2215 SG CYS A 154 75.528 93.525 50.379 1.00 79.72 S +ATOM 2216 H CYS A 154 75.358 90.697 48.480 1.00 71.15 H +ATOM 2217 HA CYS A 154 78.115 91.570 48.616 1.00 68.80 H +ATOM 2218 HB2 CYS A 154 77.811 93.672 49.702 1.00 80.15 H +ATOM 2219 HB3 CYS A 154 76.742 93.722 48.300 1.00 80.15 H +ATOM 2220 HG CYS A 154 75.707 94.835 50.519 1.00 95.66 H +ATOM 2221 N LEU A 155 78.248 91.110 51.128 1.00 53.87 N +ATOM 2222 CA LEU A 155 78.526 90.540 52.444 1.00 53.22 C +ATOM 2223 C LEU A 155 78.621 91.626 53.521 1.00 54.67 C +ATOM 2224 O LEU A 155 79.337 92.605 53.331 1.00 55.78 O +ATOM 2225 CB LEU A 155 79.851 89.766 52.348 1.00 58.65 C +ATOM 2226 CG LEU A 155 80.264 89.069 53.656 1.00 62.13 C +ATOM 2227 CD1 LEU A 155 79.399 87.842 53.930 1.00 61.67 C +ATOM 2228 CD2 LEU A 155 81.715 88.620 53.567 1.00 64.52 C +ATOM 2229 H LEU A 155 78.988 91.663 50.721 1.00 64.64 H +ATOM 2230 HA LEU A 155 77.727 89.851 52.713 1.00 63.87 H +ATOM 2231 HB2 LEU A 155 79.779 89.020 51.557 1.00 70.38 H +ATOM 2232 HB3 LEU A 155 80.634 90.469 52.066 1.00 70.38 H +ATOM 2233 HG LEU A 155 80.185 89.759 54.496 1.00 74.56 H +ATOM 2234 HD11 LEU A 155 79.737 87.350 54.840 1.00 74.00 H +ATOM 2235 HD12 LEU A 155 78.360 88.137 54.068 1.00 74.00 H +ATOM 2236 HD13 LEU A 155 79.477 87.148 53.094 1.00 74.00 H +ATOM 2237 HD21 LEU A 155 82.014 88.140 54.495 1.00 77.43 H +ATOM 2238 HD22 LEU A 155 81.833 87.920 52.743 1.00 77.43 H +ATOM 2239 HD23 LEU A 155 82.357 89.481 53.395 1.00 77.43 H +ATOM 2240 N VAL A 156 77.956 91.424 54.658 1.00 46.47 N +ATOM 2241 CA VAL A 156 77.970 92.306 55.830 1.00 43.53 C +ATOM 2242 C VAL A 156 78.449 91.508 57.042 1.00 43.54 C +ATOM 2243 O VAL A 156 77.750 90.601 57.493 1.00 47.09 O +ATOM 2244 CB VAL A 156 76.553 92.850 56.075 1.00 48.02 C +ATOM 2245 CG1 VAL A 156 76.536 93.881 57.203 1.00 51.87 C +ATOM 2246 CG2 VAL A 156 75.942 93.490 54.819 1.00 53.56 C +ATOM 2247 H VAL A 156 77.383 90.596 54.734 1.00 55.77 H +ATOM 2248 HA VAL A 156 78.644 93.145 55.661 1.00 52.24 H +ATOM 2249 HB VAL A 156 75.905 92.026 56.371 1.00 57.62 H +ATOM 2250 HG11 VAL A 156 75.509 94.165 57.422 1.00 62.24 H +ATOM 2251 HG12 VAL A 156 76.977 93.469 58.109 1.00 62.24 H +ATOM 2252 HG13 VAL A 156 77.087 94.767 56.895 1.00 62.24 H +ATOM 2253 HG21 VAL A 156 75.003 93.976 55.069 1.00 64.27 H +ATOM 2254 HG22 VAL A 156 76.623 94.227 54.401 1.00 64.27 H +ATOM 2255 HG23 VAL A 156 75.741 92.732 54.066 1.00 64.27 H +ATOM 2256 N LYS A 157 79.621 91.829 57.596 1.00 49.30 N +ATOM 2257 CA LYS A 157 80.281 90.994 58.626 1.00 52.67 C +ATOM 2258 C LYS A 157 80.632 91.734 59.919 1.00 61.04 C +ATOM 2259 O LYS A 157 80.965 92.916 59.902 1.00 58.85 O +ATOM 2260 CB LYS A 157 81.506 90.271 58.022 1.00 58.80 C +ATOM 2261 CG LYS A 157 82.739 91.178 57.848 1.00 66.90 C +ATOM 2262 CD LYS A 157 83.892 90.527 57.064 1.00 73.65 C +ATOM 2263 CE LYS A 157 84.528 89.282 57.704 1.00 73.16 C +ATOM 2264 NZ LYS A 157 85.366 89.591 58.895 1.00 77.67 N +ATOM 2265 H LYS A 157 80.128 92.614 57.214 1.00 59.16 H +ATOM 2266 HA LYS A 157 79.585 90.209 58.920 1.00 63.20 H +ATOM 2267 HB2 LYS A 157 81.776 89.444 58.675 1.00 70.56 H +ATOM 2268 HB3 LYS A 157 81.227 89.856 57.056 1.00 70.56 H +ATOM 2269 HG2 LYS A 157 82.432 92.071 57.306 1.00 80.27 H +ATOM 2270 HG3 LYS A 157 83.109 91.485 58.825 1.00 80.27 H +ATOM 2271 HD2 LYS A 157 83.513 90.244 56.083 1.00 88.38 H +ATOM 2272 HD3 LYS A 157 84.670 91.271 56.902 1.00 88.38 H +ATOM 2273 HE2 LYS A 157 83.750 88.563 57.957 1.00 87.79 H +ATOM 2274 HE3 LYS A 157 85.157 88.818 56.945 1.00 87.79 H +ATOM 2275 HZ1 LYS A 157 85.943 88.800 59.137 1.00 93.21 H +ATOM 2276 HZ2 LYS A 157 85.987 90.367 58.725 1.00 93.21 H +ATOM 2277 HZ3 LYS A 157 84.815 89.782 59.718 1.00 93.21 H +ATOM 2278 N ASP A 158 80.620 90.999 61.030 1.00 56.29 N +ATOM 2279 CA ASP A 158 81.172 91.415 62.322 1.00 55.34 C +ATOM 2280 C ASP A 158 80.636 92.766 62.820 1.00 52.61 C +ATOM 2281 O ASP A 158 81.376 93.737 62.990 1.00 57.33 O +ATOM 2282 CB ASP A 158 82.705 91.312 62.298 1.00 62.30 C +ATOM 2283 CG ASP A 158 83.198 89.865 62.159 1.00 74.83 C +ATOM 2284 OD1 ASP A 158 82.670 88.976 62.864 1.00 72.22 O +ATOM 2285 OD2 ASP A 158 84.131 89.628 61.361 1.00 77.72 O +ATOM 2286 H ASP A 158 80.269 90.055 60.965 1.00 67.54 H +ATOM 2287 HA ASP A 158 80.822 90.692 63.058 1.00 66.41 H +ATOM 2288 HB2 ASP A 158 83.094 91.921 61.482 1.00 74.76 H +ATOM 2289 HB3 ASP A 158 83.105 91.717 63.226 1.00 74.76 H +ATOM 2290 N TYR A 159 79.331 92.804 63.080 1.00 50.20 N +ATOM 2291 CA TYR A 159 78.601 93.975 63.569 1.00 54.58 C +ATOM 2292 C TYR A 159 77.667 93.602 64.719 1.00 53.12 C +ATOM 2293 O TYR A 159 77.363 92.425 64.926 1.00 54.95 O +ATOM 2294 CB TYR A 159 77.835 94.610 62.405 1.00 55.58 C +ATOM 2295 CG TYR A 159 76.667 93.804 61.883 1.00 50.74 C +ATOM 2296 CD1 TYR A 159 76.876 92.806 60.915 1.00 54.54 C +ATOM 2297 CD2 TYR A 159 75.368 94.079 62.344 1.00 49.19 C +ATOM 2298 CE1 TYR A 159 75.789 92.069 60.421 1.00 53.11 C +ATOM 2299 CE2 TYR A 159 74.276 93.347 61.851 1.00 49.65 C +ATOM 2300 CZ TYR A 159 74.489 92.335 60.896 1.00 51.14 C +ATOM 2301 OH TYR A 159 73.455 91.591 60.448 1.00 53.38 O +ATOM 2302 H TYR A 159 78.785 91.971 62.916 1.00 60.24 H +ATOM 2303 HA TYR A 159 79.308 94.714 63.946 1.00 65.50 H +ATOM 2304 HB2 TYR A 159 77.474 95.593 62.705 1.00 66.70 H +ATOM 2305 HB3 TYR A 159 78.535 94.759 61.584 1.00 66.70 H +ATOM 2306 HD1 TYR A 159 77.871 92.606 60.548 1.00 65.44 H +ATOM 2307 HD2 TYR A 159 75.204 94.851 63.081 1.00 59.02 H +ATOM 2308 HE1 TYR A 159 75.938 91.305 59.673 1.00 63.73 H +ATOM 2309 HE2 TYR A 159 73.277 93.548 62.208 1.00 59.58 H +ATOM 2310 HH TYR A 159 72.601 91.944 60.709 1.00 64.06 H +ATOM 2311 N PHE A 160 77.218 94.593 65.487 1.00 51.72 N +ATOM 2312 CA PHE A 160 76.245 94.388 66.559 1.00 51.04 C +ATOM 2313 C PHE A 160 75.387 95.634 66.831 1.00 46.76 C +ATOM 2314 O PHE A 160 75.896 96.751 66.746 1.00 51.30 O +ATOM 2315 CB PHE A 160 76.982 93.957 67.840 1.00 46.05 C +ATOM 2316 CG PHE A 160 76.054 93.569 68.970 1.00 42.35 C +ATOM 2317 CD1 PHE A 160 75.495 92.283 68.999 1.00 47.39 C +ATOM 2318 CD2 PHE A 160 75.699 94.501 69.958 1.00 47.60 C +ATOM 2319 CE1 PHE A 160 74.578 91.934 70.004 1.00 47.96 C +ATOM 2320 CE2 PHE A 160 74.770 94.157 70.955 1.00 51.45 C +ATOM 2321 CZ PHE A 160 74.207 92.872 70.978 1.00 45.88 C +ATOM 2322 H PHE A 160 77.484 95.541 65.266 1.00 62.07 H +ATOM 2323 HA PHE A 160 75.587 93.575 66.251 1.00 61.24 H +ATOM 2324 HB2 PHE A 160 77.618 93.101 67.616 1.00 55.26 H +ATOM 2325 HB3 PHE A 160 77.629 94.769 68.170 1.00 55.26 H +ATOM 2326 HD1 PHE A 160 75.774 91.554 68.252 1.00 56.86 H +ATOM 2327 HD2 PHE A 160 76.128 95.492 69.946 1.00 57.12 H +ATOM 2328 HE1 PHE A 160 74.157 90.940 70.027 1.00 57.55 H +ATOM 2329 HE2 PHE A 160 74.493 94.881 71.707 1.00 61.73 H +ATOM 2330 HZ PHE A 160 73.499 92.604 71.747 1.00 55.06 H +ATOM 2331 N PRO A 161 74.130 95.481 67.265 1.00 44.35 N +ATOM 2332 CA PRO A 161 73.262 94.336 67.024 1.00 43.83 C +ATOM 2333 C PRO A 161 72.681 94.394 65.598 1.00 50.89 C +ATOM 2334 O PRO A 161 73.059 95.240 64.788 1.00 52.64 O +ATOM 2335 CB PRO A 161 72.197 94.451 68.115 1.00 45.32 C +ATOM 2336 CG PRO A 161 72.056 95.951 68.336 1.00 54.99 C +ATOM 2337 CD PRO A 161 73.445 96.499 68.037 1.00 50.58 C +ATOM 2338 HA PRO A 161 73.782 93.388 67.160 1.00 52.59 H +ATOM 2339 HB2 PRO A 161 71.246 93.995 67.842 1.00 54.39 H +ATOM 2340 HB3 PRO A 161 72.570 93.991 69.030 1.00 54.39 H +ATOM 2341 HG2 PRO A 161 71.336 96.360 67.629 1.00 65.99 H +ATOM 2342 HG3 PRO A 161 71.753 96.178 69.357 1.00 65.99 H +ATOM 2343 HD2 PRO A 161 73.380 97.433 67.481 1.00 60.69 H +ATOM 2344 HD3 PRO A 161 73.978 96.664 68.973 1.00 60.69 H +ATOM 2345 N GLU A 162 71.752 93.491 65.296 1.00 53.16 N +ATOM 2346 CA GLU A 162 70.723 93.650 64.256 1.00 55.73 C +ATOM 2347 C GLU A 162 69.735 94.780 64.590 1.00 62.83 C +ATOM 2348 O GLU A 162 69.628 95.141 65.766 1.00 64.70 O +ATOM 2349 CB GLU A 162 69.929 92.333 64.199 1.00 57.36 C +ATOM 2350 CG GLU A 162 70.582 91.299 63.287 1.00 64.93 C +ATOM 2351 CD GLU A 162 70.272 91.601 61.814 1.00 68.18 C +ATOM 2352 OE1 GLU A 162 69.226 91.120 61.316 1.00 66.05 O +ATOM 2353 OE2 GLU A 162 71.054 92.358 61.200 1.00 60.05 O +ATOM 2354 H GLU A 162 71.568 92.778 65.987 1.00 63.79 H +ATOM 2355 HA GLU A 162 71.186 93.870 63.295 1.00 66.87 H +ATOM 2356 HB2 GLU A 162 69.848 91.918 65.203 1.00 68.83 H +ATOM 2357 HB3 GLU A 162 68.910 92.506 63.855 1.00 68.83 H +ATOM 2358 HG2 GLU A 162 71.658 91.284 63.460 1.00 77.91 H +ATOM 2359 HG3 GLU A 162 70.190 90.319 63.554 1.00 77.91 H +ATOM 2360 N PRO A 163 68.932 95.287 63.626 1.00 72.52 N +ATOM 2361 CA PRO A 163 68.763 94.808 62.247 1.00 65.77 C +ATOM 2362 C PRO A 163 69.334 95.733 61.154 1.00 66.85 C +ATOM 2363 O PRO A 163 69.962 96.757 61.418 1.00 71.98 O +ATOM 2364 CB PRO A 163 67.246 94.643 62.118 1.00 76.13 C +ATOM 2365 CG PRO A 163 66.732 95.878 62.850 1.00 88.60 C +ATOM 2366 CD PRO A 163 67.754 96.077 63.975 1.00 89.88 C +ATOM 2367 HA PRO A 163 69.218 93.828 62.106 1.00 78.92 H +ATOM 2368 HB2 PRO A 163 66.893 94.608 61.087 1.00 91.36 H +ATOM 2369 HB3 PRO A 163 66.929 93.747 62.651 1.00 91.36 H +ATOM 2370 HG2 PRO A 163 66.748 96.736 62.178 1.00106.31 H +ATOM 2371 HG3 PRO A 163 65.728 95.720 63.243 1.00106.31 H +ATOM 2372 HD2 PRO A 163 68.006 97.131 64.084 1.00107.86 H +ATOM 2373 HD3 PRO A 163 67.322 95.708 64.905 1.00107.86 H +ATOM 2374 N VAL A 164 69.104 95.368 59.893 1.00 63.86 N +ATOM 2375 CA VAL A 164 69.694 95.999 58.702 1.00 63.99 C +ATOM 2376 C VAL A 164 68.657 96.067 57.572 1.00 59.74 C +ATOM 2377 O VAL A 164 67.763 95.223 57.487 1.00 59.42 O +ATOM 2378 CB VAL A 164 70.955 95.214 58.262 1.00 59.61 C +ATOM 2379 CG1 VAL A 164 71.628 95.759 56.995 1.00 67.34 C +ATOM 2380 CG2 VAL A 164 72.055 95.173 59.334 1.00 58.78 C +ATOM 2381 H VAL A 164 68.550 94.540 59.740 1.00 76.63 H +ATOM 2382 HA VAL A 164 69.994 97.017 58.948 1.00 76.79 H +ATOM 2383 HB VAL A 164 70.646 94.190 58.055 1.00 71.54 H +ATOM 2384 HG11 VAL A 164 72.525 95.183 56.775 1.00 80.81 H +ATOM 2385 HG12 VAL A 164 70.968 95.664 56.136 1.00 80.81 H +ATOM 2386 HG13 VAL A 164 71.912 96.800 57.135 1.00 80.81 H +ATOM 2387 HG21 VAL A 164 72.893 94.572 58.986 1.00 70.54 H +ATOM 2388 HG22 VAL A 164 72.403 96.181 59.553 1.00 70.54 H +ATOM 2389 HG23 VAL A 164 71.684 94.720 60.252 1.00 70.54 H +ATOM 2390 N THR A 165 68.805 97.044 56.675 1.00 69.75 N +ATOM 2391 CA THR A 165 68.069 97.146 55.400 1.00 76.22 C +ATOM 2392 C THR A 165 69.043 97.295 54.232 1.00 76.85 C +ATOM 2393 O THR A 165 70.054 97.988 54.351 1.00 76.19 O +ATOM 2394 CB THR A 165 67.088 98.329 55.406 1.00 86.04 C +ATOM 2395 OG1 THR A 165 66.170 98.216 56.469 1.00 86.92 O +ATOM 2396 CG2 THR A 165 66.263 98.445 54.126 1.00 81.37 C +ATOM 2397 H THR A 165 69.549 97.709 56.833 1.00 83.70 H +ATOM 2398 HA THR A 165 67.497 96.232 55.238 1.00 91.46 H +ATOM 2399 HB THR A 165 67.652 99.251 55.541 1.00103.25 H +ATOM 2400 HG1 THR A 165 65.649 97.427 56.327 1.00104.30 H +ATOM 2401 HG21 THR A 165 65.494 99.205 54.254 1.00 97.64 H +ATOM 2402 HG22 THR A 165 66.898 98.746 53.294 1.00 97.64 H +ATOM 2403 HG23 THR A 165 65.787 97.493 53.894 1.00 97.64 H +ATOM 2404 N VAL A 166 68.741 96.659 53.098 1.00 73.76 N +ATOM 2405 CA VAL A 166 69.596 96.630 51.902 1.00 75.14 C +ATOM 2406 C VAL A 166 68.805 97.040 50.660 1.00 73.78 C +ATOM 2407 O VAL A 166 67.621 96.745 50.515 1.00 74.11 O +ATOM 2408 CB VAL A 166 70.262 95.249 51.720 1.00 75.68 C +ATOM 2409 CG1 VAL A 166 71.200 95.196 50.507 1.00 74.33 C +ATOM 2410 CG2 VAL A 166 71.075 94.855 52.958 1.00 75.89 C +ATOM 2411 H VAL A 166 67.880 96.135 53.059 1.00 88.51 H +ATOM 2412 HA VAL A 166 70.398 97.358 52.025 1.00 90.17 H +ATOM 2413 HB VAL A 166 69.483 94.501 51.577 1.00 90.81 H +ATOM 2414 HG11 VAL A 166 71.727 94.243 50.488 1.00 89.20 H +ATOM 2415 HG12 VAL A 166 70.629 95.273 49.582 1.00 89.20 H +ATOM 2416 HG13 VAL A 166 71.928 96.005 50.550 1.00 89.20 H +ATOM 2417 HG21 VAL A 166 71.586 93.911 52.785 1.00 91.06 H +ATOM 2418 HG22 VAL A 166 71.809 95.622 53.191 1.00 91.06 H +ATOM 2419 HG23 VAL A 166 70.415 94.721 53.811 1.00 91.06 H +ATOM 2420 N SER A 167 69.481 97.735 49.758 1.00 72.08 N +ATOM 2421 CA SER A 167 68.968 98.323 48.528 1.00 70.08 C +ATOM 2422 C SER A 167 70.142 98.573 47.578 1.00 75.95 C +ATOM 2423 O SER A 167 71.301 98.427 47.961 1.00 73.50 O +ATOM 2424 CB SER A 167 68.260 99.625 48.880 1.00 78.35 C +ATOM 2425 OG SER A 167 69.181 100.538 49.444 1.00 82.86 O +ATOM 2426 H SER A 167 70.448 97.945 49.956 1.00 86.50 H +ATOM 2427 HA SER A 167 68.259 97.648 48.050 1.00 84.10 H +ATOM 2428 HB2 SER A 167 67.817 100.055 47.982 1.00 94.02 H +ATOM 2429 HB3 SER A 167 67.466 99.423 49.597 1.00 94.02 H +ATOM 2430 HG SER A 167 69.852 100.049 49.923 1.00 99.43 H +ATOM 2431 N TRP A 168 69.869 98.908 46.325 1.00 79.13 N +ATOM 2432 CA TRP A 168 70.913 99.089 45.314 1.00 85.01 C +ATOM 2433 C TRP A 168 70.608 100.284 44.399 1.00 90.29 C +ATOM 2434 O TRP A 168 69.493 100.798 44.379 1.00 81.65 O +ATOM 2435 CB TRP A 168 71.075 97.775 44.530 1.00 87.02 C +ATOM 2436 CG TRP A 168 71.737 96.642 45.259 1.00 87.19 C +ATOM 2437 CD1 TRP A 168 71.145 95.831 46.165 1.00 87.23 C +ATOM 2438 CD2 TRP A 168 73.114 96.170 45.160 1.00 76.36 C +ATOM 2439 NE1 TRP A 168 72.070 94.947 46.681 1.00 78.95 N +ATOM 2440 CE2 TRP A 168 73.303 95.116 46.102 1.00 76.77 C +ATOM 2441 CE3 TRP A 168 74.220 96.494 44.346 1.00 76.28 C +ATOM 2442 CZ2 TRP A 168 74.531 94.467 46.277 1.00 71.60 C +ATOM 2443 CZ3 TRP A 168 75.455 95.830 44.491 1.00 81.24 C +ATOM 2444 CH2 TRP A 168 75.617 94.824 45.461 1.00 80.08 C +ATOM 2445 H TRP A 168 68.909 98.999 46.028 1.00 94.96 H +ATOM 2446 HA TRP A 168 71.861 99.310 45.803 1.00102.01 H +ATOM 2447 HB2 TRP A 168 70.091 97.439 44.205 1.00104.42 H +ATOM 2448 HB3 TRP A 168 71.666 97.973 43.637 1.00104.42 H +ATOM 2449 HD1 TRP A 168 70.111 95.897 46.466 1.00104.67 H +ATOM 2450 HE1 TRP A 168 71.852 94.266 47.392 1.00 94.74 H +ATOM 2451 HE3 TRP A 168 74.105 97.256 43.591 1.00 91.53 H +ATOM 2452 HZ2 TRP A 168 74.628 93.685 47.014 1.00 85.92 H +ATOM 2453 HZ3 TRP A 168 76.284 96.093 43.852 1.00 97.49 H +ATOM 2454 HH2 TRP A 168 76.566 94.321 45.564 1.00 96.09 H +ATOM 2455 N ASN A 169 71.595 100.727 43.624 1.00 85.27 N +ATOM 2456 CA ASN A 169 71.454 101.713 42.550 1.00 85.99 C +ATOM 2457 C ASN A 169 70.977 103.089 43.043 1.00 94.42 C +ATOM 2458 O ASN A 169 69.936 103.581 42.620 1.00 97.09 O +ATOM 2459 CB ASN A 169 70.626 101.135 41.386 1.00 83.38 C +ATOM 2460 CG ASN A 169 71.160 99.831 40.824 1.00 82.80 C +ATOM 2461 OD1 ASN A 169 72.164 99.280 41.245 1.00 84.87 O +ATOM 2462 ND2 ASN A 169 70.501 99.302 39.825 1.00 84.66 N +ATOM 2463 H ASN A 169 72.496 100.294 43.754 1.00102.32 H +ATOM 2464 HA ASN A 169 72.450 101.882 42.141 1.00103.18 H +ATOM 2465 HB2 ASN A 169 69.596 100.980 41.708 1.00100.05 H +ATOM 2466 HB3 ASN A 169 70.613 101.863 40.576 1.00100.05 H +ATOM 2467 HD21 ASN A 169 70.884 98.465 39.415 1.00101.59 H +ATOM 2468 HD22 ASN A 169 69.689 99.758 39.437 1.00101.59 H +ATOM 2469 N SER A 170 71.700 103.702 43.984 1.00 93.31 N +ATOM 2470 CA SER A 170 71.264 104.900 44.735 1.00 90.58 C +ATOM 2471 C SER A 170 69.993 104.638 45.556 1.00 92.21 C +ATOM 2472 O SER A 170 69.187 105.535 45.783 1.00102.75 O +ATOM 2473 CB SER A 170 71.126 106.154 43.844 1.00 98.64 C +ATOM 2474 OG SER A 170 72.322 106.428 43.142 1.00 92.56 O +ATOM 2475 H SER A 170 72.503 103.207 44.343 1.00111.97 H +ATOM 2476 HA SER A 170 72.045 105.118 45.462 1.00108.70 H +ATOM 2477 HB2 SER A 170 70.315 106.020 43.131 1.00118.36 H +ATOM 2478 HB3 SER A 170 70.887 107.010 44.471 1.00118.36 H +ATOM 2479 HG SER A 170 72.203 107.243 42.659 1.00111.07 H +ATOM 2480 N GLY A 171 69.770 103.384 45.949 1.00 95.18 N +ATOM 2481 CA GLY A 171 68.510 102.886 46.499 1.00 99.89 C +ATOM 2482 C GLY A 171 67.375 102.730 45.475 1.00104.55 C +ATOM 2483 O GLY A 171 66.300 102.270 45.848 1.00105.08 O +ATOM 2484 H GLY A 171 70.495 102.707 45.763 1.00114.22 H +ATOM 2485 HA2 GLY A 171 68.692 101.908 46.941 1.00119.87 H +ATOM 2486 HA3 GLY A 171 68.170 103.559 47.284 1.00119.87 H +ATOM 2487 N ALA A 172 67.566 103.095 44.201 1.00105.41 N +ATOM 2488 CA ALA A 172 66.530 103.032 43.167 1.00112.10 C +ATOM 2489 C ALA A 172 66.216 101.600 42.679 1.00112.96 C +ATOM 2490 O ALA A 172 65.216 101.397 41.989 1.00110.83 O +ATOM 2491 CB ALA A 172 66.917 103.955 42.002 1.00110.31 C +ATOM 2492 H ALA A 172 68.483 103.403 43.915 1.00126.49 H +ATOM 2493 HA ALA A 172 65.610 103.428 43.597 1.00134.52 H +ATOM 2494 HB1 ALA A 172 66.055 104.101 41.353 1.00132.37 H +ATOM 2495 HB2 ALA A 172 67.238 104.924 42.379 1.00132.37 H +ATOM 2496 HB3 ALA A 172 67.716 103.506 41.413 1.00132.37 H +ATOM 2497 N LEU A 173 67.033 100.605 43.042 1.00100.04 N +ATOM 2498 CA LEU A 173 66.755 99.182 42.844 1.00101.11 C +ATOM 2499 C LEU A 173 66.349 98.537 44.177 1.00 96.94 C +ATOM 2500 O LEU A 173 67.081 98.596 45.168 1.00 89.72 O +ATOM 2501 CB LEU A 173 67.969 98.503 42.185 1.00103.10 C +ATOM 2502 CG LEU A 173 67.869 96.969 42.064 1.00105.34 C +ATOM 2503 CD1 LEU A 173 66.694 96.532 41.188 1.00102.46 C +ATOM 2504 CD2 LEU A 173 69.139 96.403 41.431 1.00 97.22 C +ATOM 2505 H LEU A 173 67.840 100.841 43.600 1.00120.05 H +ATOM 2506 HA LEU A 173 65.917 99.078 42.154 1.00121.33 H +ATOM 2507 HB2 LEU A 173 68.097 98.925 41.189 1.00123.72 H +ATOM 2508 HB3 LEU A 173 68.858 98.740 42.768 1.00123.72 H +ATOM 2509 HG LEU A 173 67.760 96.530 43.054 1.00126.41 H +ATOM 2510 HD11 LEU A 173 66.695 95.448 41.087 1.00122.96 H +ATOM 2511 HD12 LEU A 173 65.746 96.825 41.637 1.00122.96 H +ATOM 2512 HD13 LEU A 173 66.775 96.980 40.199 1.00122.96 H +ATOM 2513 HD21 LEU A 173 69.092 95.315 41.415 1.00116.66 H +ATOM 2514 HD22 LEU A 173 69.242 96.766 40.410 1.00116.66 H +ATOM 2515 HD23 LEU A 173 70.015 96.702 42.004 1.00116.66 H +ATOM 2516 N THR A 174 65.174 97.904 44.170 1.00 93.39 N +ATOM 2517 CA THR A 174 64.494 97.364 45.361 1.00 96.55 C +ATOM 2518 C THR A 174 63.813 96.010 45.121 1.00 94.60 C +ATOM 2519 O THR A 174 63.835 95.159 46.010 1.00 92.59 O +ATOM 2520 CB THR A 174 63.431 98.354 45.862 1.00103.03 C +ATOM 2521 OG1 THR A 174 62.502 98.616 44.835 1.00 98.87 O +ATOM 2522 CG2 THR A 174 64.010 99.692 46.307 1.00103.58 C +ATOM 2523 H THR A 174 64.627 97.961 43.323 1.00112.07 H +ATOM 2524 HA THR A 174 65.220 97.219 46.161 1.00115.86 H +ATOM 2525 HB THR A 174 62.908 97.908 46.707 1.00123.64 H +ATOM 2526 HG1 THR A 174 61.841 99.205 45.195 1.00118.64 H +ATOM 2527 HG21 THR A 174 63.228 100.294 46.766 1.00124.29 H +ATOM 2528 HG22 THR A 174 64.797 99.523 47.040 1.00124.29 H +ATOM 2529 HG23 THR A 174 64.423 100.232 45.457 1.00124.29 H +ATOM 2530 N SER A 175 63.224 95.769 43.943 1.00 92.01 N +ATOM 2531 CA SER A 175 62.575 94.493 43.597 1.00 93.45 C +ATOM 2532 C SER A 175 63.584 93.384 43.254 1.00 88.54 C +ATOM 2533 O SER A 175 64.629 93.627 42.652 1.00 88.32 O +ATOM 2534 CB SER A 175 61.561 94.701 42.465 1.00 92.68 C +ATOM 2535 OG SER A 175 62.159 95.276 41.317 1.00 90.95 O +ATOM 2536 H SER A 175 63.200 96.501 43.250 1.00110.41 H +ATOM 2537 HA SER A 175 62.005 94.160 44.464 1.00112.14 H +ATOM 2538 HB2 SER A 175 61.115 93.742 42.202 1.00111.22 H +ATOM 2539 HB3 SER A 175 60.768 95.357 42.819 1.00111.22 H +ATOM 2540 HG SER A 175 61.483 95.367 40.647 1.00109.14 H +ATOM 2541 N GLY A 176 63.277 92.144 43.653 1.00 82.09 N +ATOM 2542 CA GLY A 176 64.123 90.962 43.426 1.00 73.34 C +ATOM 2543 C GLY A 176 65.350 90.852 44.343 1.00 71.88 C +ATOM 2544 O GLY A 176 66.161 89.944 44.179 1.00 71.38 O +ATOM 2545 H GLY A 176 62.399 92.004 44.131 1.00 98.51 H +ATOM 2546 HA2 GLY A 176 63.518 90.069 43.579 1.00 88.01 H +ATOM 2547 HA3 GLY A 176 64.470 90.961 42.394 1.00 88.01 H +ATOM 2548 N VAL A 177 65.508 91.765 45.304 1.00 73.04 N +ATOM 2549 CA VAL A 177 66.574 91.744 46.316 1.00 68.71 C +ATOM 2550 C VAL A 177 66.255 90.698 47.392 1.00 62.06 C +ATOM 2551 O VAL A 177 65.223 90.783 48.056 1.00 66.25 O +ATOM 2552 CB VAL A 177 66.734 93.145 46.942 1.00 73.14 C +ATOM 2553 CG1 VAL A 177 67.780 93.153 48.059 1.00 71.26 C +ATOM 2554 CG2 VAL A 177 67.174 94.199 45.917 1.00 79.04 C +ATOM 2555 H VAL A 177 64.800 92.480 45.385 1.00 87.65 H +ATOM 2556 HA VAL A 177 67.517 91.473 45.842 1.00 82.45 H +ATOM 2557 HB VAL A 177 65.780 93.455 47.365 1.00 87.77 H +ATOM 2558 HG11 VAL A 177 67.905 94.166 48.439 1.00 85.51 H +ATOM 2559 HG12 VAL A 177 67.459 92.523 48.887 1.00 85.51 H +ATOM 2560 HG13 VAL A 177 68.735 92.793 47.680 1.00 85.51 H +ATOM 2561 HG21 VAL A 177 67.177 95.183 46.384 1.00 94.85 H +ATOM 2562 HG22 VAL A 177 68.177 93.976 45.555 1.00 94.85 H +ATOM 2563 HG23 VAL A 177 66.483 94.224 45.075 1.00 94.85 H +ATOM 2564 N HIS A 178 67.134 89.719 47.597 1.00 58.80 N +ATOM 2565 CA HIS A 178 66.962 88.685 48.621 1.00 53.51 C +ATOM 2566 C HIS A 178 67.315 89.152 50.027 1.00 55.74 C +ATOM 2567 O HIS A 178 68.166 90.024 50.211 1.00 53.21 O +ATOM 2568 CB HIS A 178 67.802 87.459 48.286 1.00 55.06 C +ATOM 2569 CG HIS A 178 67.284 86.770 47.073 1.00 64.11 C +ATOM 2570 ND1 HIS A 178 67.641 87.042 45.780 1.00 71.28 N +ATOM 2571 CD2 HIS A 178 66.259 85.870 47.043 1.00 64.76 C +ATOM 2572 CE1 HIS A 178 66.878 86.289 44.978 1.00 73.71 C +ATOM 2573 NE2 HIS A 178 66.006 85.567 45.704 1.00 69.23 N +ATOM 2574 H HIS A 178 67.951 89.673 47.005 1.00 70.56 H +ATOM 2575 HA HIS A 178 65.917 88.379 48.632 1.00 64.21 H +ATOM 2576 HB2 HIS A 178 68.838 87.754 48.119 1.00 66.07 H +ATOM 2577 HB3 HIS A 178 67.778 86.754 49.116 1.00 66.07 H +ATOM 2578 HD1 HIS A 178 68.294 87.752 45.484 1.00 85.54 H +ATOM 2579 HD2 HIS A 178 65.720 85.494 47.899 1.00 77.71 H +ATOM 2580 HE1 HIS A 178 66.922 86.295 43.899 1.00 88.46 H +ATOM 2581 N THR A 179 66.725 88.493 51.024 1.00 53.69 N +ATOM 2582 CA THR A 179 66.868 88.822 52.450 1.00 57.83 C +ATOM 2583 C THR A 179 67.386 87.627 53.273 1.00 49.07 C +ATOM 2584 O THR A 179 67.067 86.467 53.016 1.00 47.35 O +ATOM 2585 CB THR A 179 65.553 89.398 53.004 1.00 65.96 C +ATOM 2586 OG1 THR A 179 64.482 88.495 52.858 1.00 61.33 O +ATOM 2587 CG2 THR A 179 65.158 90.687 52.283 1.00 61.00 C +ATOM 2588 H THR A 179 66.069 87.762 50.794 1.00 64.42 H +ATOM 2589 HA THR A 179 67.610 89.614 52.551 1.00 69.40 H +ATOM 2590 HB THR A 179 65.688 89.620 54.059 1.00 79.15 H +ATOM 2591 HG1 THR A 179 63.709 88.909 53.234 1.00 73.60 H +ATOM 2592 HG21 THR A 179 64.282 91.123 52.758 1.00 73.20 H +ATOM 2593 HG22 THR A 179 65.976 91.398 52.337 1.00 73.20 H +ATOM 2594 HG23 THR A 179 64.928 90.490 51.240 1.00 73.20 H +ATOM 2595 N PHE A 180 68.250 87.921 54.247 1.00 43.74 N +ATOM 2596 CA PHE A 180 69.091 86.961 54.973 1.00 37.77 C +ATOM 2597 C PHE A 180 69.028 87.255 56.485 1.00 36.13 C +ATOM 2598 O PHE A 180 69.838 88.038 56.983 1.00 37.16 O +ATOM 2599 CB PHE A 180 70.551 87.097 54.497 1.00 38.80 C +ATOM 2600 CG PHE A 180 70.918 86.577 53.120 1.00 50.16 C +ATOM 2601 CD1 PHE A 180 70.372 87.124 51.941 1.00 51.13 C +ATOM 2602 CD2 PHE A 180 71.912 85.590 53.018 1.00 55.36 C +ATOM 2603 CE1 PHE A 180 70.811 86.679 50.682 1.00 59.17 C +ATOM 2604 CE2 PHE A 180 72.356 85.153 51.759 1.00 60.32 C +ATOM 2605 CZ PHE A 180 71.822 85.714 50.590 1.00 64.76 C +ATOM 2606 H PHE A 180 68.439 88.896 54.425 1.00 52.48 H +ATOM 2607 HA PHE A 180 68.764 85.937 54.798 1.00 45.32 H +ATOM 2608 HB2 PHE A 180 70.831 88.148 54.545 1.00 46.56 H +ATOM 2609 HB3 PHE A 180 71.178 86.578 55.220 1.00 46.56 H +ATOM 2610 HD1 PHE A 180 69.652 87.926 51.991 1.00 61.35 H +ATOM 2611 HD2 PHE A 180 72.356 85.171 53.908 1.00 66.43 H +ATOM 2612 HE1 PHE A 180 70.379 87.086 49.781 1.00 71.01 H +ATOM 2613 HE2 PHE A 180 73.110 84.384 51.694 1.00 72.38 H +ATOM 2614 HZ PHE A 180 72.162 85.373 49.623 1.00 77.71 H +ATOM 2615 N PRO A 181 68.086 86.670 57.241 1.00 31.24 N +ATOM 2616 CA PRO A 181 68.009 86.868 58.686 1.00 25.59 C +ATOM 2617 C PRO A 181 69.354 86.575 59.349 1.00 26.94 C +ATOM 2618 O PRO A 181 69.943 85.523 59.110 1.00 30.83 O +ATOM 2619 CB PRO A 181 66.904 85.925 59.160 1.00 27.04 C +ATOM 2620 CG PRO A 181 65.990 85.834 57.939 1.00 33.34 C +ATOM 2621 CD PRO A 181 66.976 85.862 56.774 1.00 33.08 C +ATOM 2622 HA PRO A 181 67.713 87.897 58.885 1.00 30.70 H +ATOM 2623 HB2 PRO A 181 67.309 84.936 59.376 1.00 32.45 H +ATOM 2624 HB3 PRO A 181 66.380 86.322 60.029 1.00 32.45 H +ATOM 2625 HG2 PRO A 181 65.396 84.922 57.945 1.00 40.00 H +ATOM 2626 HG3 PRO A 181 65.350 86.714 57.896 1.00 40.00 H +ATOM 2627 HD2 PRO A 181 67.324 84.852 56.560 1.00 39.69 H +ATOM 2628 HD3 PRO A 181 66.502 86.295 55.894 1.00 39.69 H +ATOM 2629 N ALA A 182 69.891 87.517 60.122 1.00 32.04 N +ATOM 2630 CA ALA A 182 71.290 87.430 60.534 1.00 37.76 C +ATOM 2631 C ALA A 182 71.549 86.321 61.548 1.00 29.83 C +ATOM 2632 O ALA A 182 70.681 85.955 62.339 1.00 32.69 O +ATOM 2633 CB ALA A 182 71.756 88.763 61.104 1.00 45.68 C +ATOM 2634 H ALA A 182 69.384 88.372 60.294 1.00 38.45 H +ATOM 2635 HA ALA A 182 71.887 87.219 59.647 1.00 45.31 H +ATOM 2636 HB1 ALA A 182 72.832 88.745 61.271 1.00 54.82 H +ATOM 2637 HB2 ALA A 182 71.527 89.562 60.400 1.00 54.82 H +ATOM 2638 HB3 ALA A 182 71.247 88.946 62.049 1.00 54.82 H +ATOM 2639 N VAL A 183 72.785 85.842 61.578 1.00 30.30 N +ATOM 2640 CA VAL A 183 73.225 84.805 62.515 1.00 31.30 C +ATOM 2641 C VAL A 183 74.527 85.190 63.208 1.00 42.40 C +ATOM 2642 O VAL A 183 75.427 85.782 62.605 1.00 47.40 O +ATOM 2643 CB VAL A 183 73.309 83.426 61.839 1.00 29.38 C +ATOM 2644 CG1 VAL A 183 71.931 82.775 61.787 1.00 24.48 C +ATOM 2645 CG2 VAL A 183 73.857 83.471 60.409 1.00 38.66 C +ATOM 2646 H VAL A 183 73.448 86.195 60.905 1.00 36.36 H +ATOM 2647 HA VAL A 183 72.488 84.718 63.313 1.00 37.56 H +ATOM 2648 HB VAL A 183 73.956 82.785 62.438 1.00 35.25 H +ATOM 2649 HG11 VAL A 183 72.013 81.779 61.355 1.00 29.38 H +ATOM 2650 HG12 VAL A 183 71.525 82.688 62.794 1.00 29.38 H +ATOM 2651 HG13 VAL A 183 71.254 83.374 61.179 1.00 29.38 H +ATOM 2652 HG21 VAL A 183 74.040 82.458 60.059 1.00 46.39 H +ATOM 2653 HG22 VAL A 183 73.145 83.946 59.739 1.00 46.39 H +ATOM 2654 HG23 VAL A 183 74.789 84.029 60.385 1.00 46.39 H +ATOM 2655 N LEU A 184 74.599 84.894 64.506 1.00 42.21 N +ATOM 2656 CA LEU A 184 75.768 85.148 65.334 1.00 47.86 C +ATOM 2657 C LEU A 184 76.879 84.131 65.060 1.00 43.11 C +ATOM 2658 O LEU A 184 76.617 82.980 64.717 1.00 41.55 O +ATOM 2659 CB LEU A 184 75.377 85.143 66.822 1.00 56.52 C +ATOM 2660 CG LEU A 184 74.544 86.351 67.285 1.00 57.00 C +ATOM 2661 CD1 LEU A 184 74.116 86.141 68.733 1.00 51.47 C +ATOM 2662 CD2 LEU A 184 75.338 87.654 67.220 1.00 48.76 C +ATOM 2663 H LEU A 184 73.827 84.399 64.927 1.00 50.65 H +ATOM 2664 HA LEU A 184 76.158 86.134 65.079 1.00 57.43 H +ATOM 2665 HB2 LEU A 184 74.826 84.227 67.032 1.00 67.82 H +ATOM 2666 HB3 LEU A 184 76.285 85.117 67.423 1.00 67.82 H +ATOM 2667 HG LEU A 184 73.650 86.441 66.668 1.00 68.40 H +ATOM 2668 HD11 LEU A 184 73.491 86.972 69.057 1.00 61.77 H +ATOM 2669 HD12 LEU A 184 73.539 85.221 68.815 1.00 61.77 H +ATOM 2670 HD13 LEU A 184 74.990 86.076 69.379 1.00 61.77 H +ATOM 2671 HD21 LEU A 184 74.769 88.453 67.694 1.00 58.52 H +ATOM 2672 HD22 LEU A 184 76.294 87.546 67.730 1.00 58.52 H +ATOM 2673 HD23 LEU A 184 75.491 87.928 66.177 1.00 58.52 H +ATOM 2674 N GLN A 185 78.122 84.566 65.253 1.00 49.29 N +ATOM 2675 CA GLN A 185 79.349 83.848 64.899 1.00 49.13 C +ATOM 2676 C GLN A 185 80.388 83.934 66.021 1.00 55.37 C +ATOM 2677 O GLN A 185 80.220 84.697 66.971 1.00 54.34 O +ATOM 2678 CB GLN A 185 79.922 84.419 63.588 1.00 50.04 C +ATOM 2679 CG GLN A 185 78.913 84.544 62.432 1.00 49.25 C +ATOM 2680 CD GLN A 185 78.234 83.237 62.024 1.00 54.56 C +ATOM 2681 OE1 GLN A 185 78.555 82.144 62.463 1.00 52.75 O +ATOM 2682 NE2 GLN A 185 77.287 83.289 61.120 1.00 51.35 N +ATOM 2683 H GLN A 185 78.233 85.530 65.532 1.00 59.15 H +ATOM 2684 HA GLN A 185 79.125 82.791 64.761 1.00 58.96 H +ATOM 2685 HB2 GLN A 185 80.321 85.413 63.789 1.00 60.04 H +ATOM 2686 HB3 GLN A 185 80.747 83.790 63.257 1.00 60.04 H +ATOM 2687 HG2 GLN A 185 78.148 85.274 62.693 1.00 59.10 H +ATOM 2688 HG3 GLN A 185 79.438 84.937 61.562 1.00 59.10 H +ATOM 2689 HE21 GLN A 185 76.870 82.420 60.823 1.00 61.63 H +ATOM 2690 HE22 GLN A 185 77.050 84.176 60.700 1.00 61.63 H +ATOM 2691 N SER A 186 81.467 83.151 65.914 1.00 61.56 N +ATOM 2692 CA SER A 186 82.512 82.974 66.947 1.00 70.56 C +ATOM 2693 C SER A 186 83.430 84.184 67.177 1.00 65.75 C +ATOM 2694 O SER A 186 84.182 84.201 68.150 1.00 64.55 O +ATOM 2695 CB SER A 186 83.344 81.718 66.651 1.00 66.95 C +ATOM 2696 OG SER A 186 84.029 81.825 65.418 1.00 65.01 O +ATOM 2697 H SER A 186 81.546 82.567 65.094 1.00 73.87 H +ATOM 2698 HA SER A 186 82.005 82.796 67.895 1.00 84.67 H +ATOM 2699 HB2 SER A 186 84.059 81.554 67.456 1.00 80.34 H +ATOM 2700 HB3 SER A 186 82.677 80.858 66.611 1.00 80.34 H +ATOM 2701 HG SER A 186 84.867 82.261 65.574 1.00 78.01 H +ATOM 2702 N SER A 187 83.337 85.229 66.351 1.00 61.73 N +ATOM 2703 CA SER A 187 83.818 86.575 66.707 1.00 62.82 C +ATOM 2704 C SER A 187 83.011 87.207 67.858 1.00 59.50 C +ATOM 2705 O SER A 187 83.479 88.147 68.500 1.00 58.38 O +ATOM 2706 CB SER A 187 83.728 87.482 65.479 1.00 58.37 C +ATOM 2707 OG SER A 187 82.386 87.587 65.046 1.00 57.70 O +ATOM 2708 H SER A 187 82.757 85.149 65.529 1.00 74.07 H +ATOM 2709 HA SER A 187 84.861 86.517 67.015 1.00 75.39 H +ATOM 2710 HB2 SER A 187 84.104 88.473 65.725 1.00 70.04 H +ATOM 2711 HB3 SER A 187 84.336 87.068 64.675 1.00 70.04 H +ATOM 2712 HG SER A 187 82.413 88.096 64.233 1.00 69.24 H +ATOM 2713 N GLY A 188 81.809 86.687 68.131 1.00 55.34 N +ATOM 2714 CA GLY A 188 80.819 87.195 69.082 1.00 49.25 C +ATOM 2715 C GLY A 188 79.735 88.073 68.446 1.00 55.11 C +ATOM 2716 O GLY A 188 79.016 88.751 69.176 1.00 57.49 O +ATOM 2717 H GLY A 188 81.519 85.892 67.582 1.00 66.41 H +ATOM 2718 HA2 GLY A 188 80.324 86.345 69.550 1.00 59.11 H +ATOM 2719 HA3 GLY A 188 81.315 87.770 69.863 1.00 59.11 H +ATOM 2720 N LEU A 189 79.635 88.111 67.111 1.00 55.43 N +ATOM 2721 CA LEU A 189 78.964 89.181 66.353 1.00 56.26 C +ATOM 2722 C LEU A 189 78.018 88.655 65.258 1.00 54.15 C +ATOM 2723 O LEU A 189 78.097 87.495 64.860 1.00 51.49 O +ATOM 2724 CB LEU A 189 80.041 90.088 65.726 1.00 56.50 C +ATOM 2725 CG LEU A 189 81.043 90.719 66.709 1.00 54.73 C +ATOM 2726 CD1 LEU A 189 82.167 91.402 65.937 1.00 56.01 C +ATOM 2727 CD2 LEU A 189 80.371 91.763 67.598 1.00 50.69 C +ATOM 2728 H LEU A 189 80.233 87.492 66.584 1.00 66.51 H +ATOM 2729 HA LEU A 189 78.357 89.781 67.030 1.00 67.52 H +ATOM 2730 HB2 LEU A 189 80.596 89.490 65.004 1.00 67.80 H +ATOM 2731 HB3 LEU A 189 79.550 90.891 65.178 1.00 67.80 H +ATOM 2732 HG LEU A 189 81.494 89.953 67.339 1.00 65.68 H +ATOM 2733 HD11 LEU A 189 82.891 91.816 66.637 1.00 67.22 H +ATOM 2734 HD12 LEU A 189 82.675 90.670 65.312 1.00 67.22 H +ATOM 2735 HD13 LEU A 189 81.768 92.209 65.324 1.00 67.22 H +ATOM 2736 HD21 LEU A 189 81.110 92.210 68.261 1.00 60.83 H +ATOM 2737 HD22 LEU A 189 79.922 92.544 66.985 1.00 60.83 H +ATOM 2738 HD23 LEU A 189 79.601 91.297 68.212 1.00 60.83 H +ATOM 2739 N TYR A 190 77.127 89.515 64.759 1.00 50.90 N +ATOM 2740 CA TYR A 190 76.203 89.198 63.664 1.00 54.62 C +ATOM 2741 C TYR A 190 76.875 89.176 62.283 1.00 56.35 C +ATOM 2742 O TYR A 190 77.934 89.767 62.060 1.00 51.91 O +ATOM 2743 CB TYR A 190 75.040 90.199 63.634 1.00 52.55 C +ATOM 2744 CG TYR A 190 74.017 90.000 64.725 1.00 54.54 C +ATOM 2745 CD1 TYR A 190 73.011 89.030 64.564 1.00 54.66 C +ATOM 2746 CD2 TYR A 190 74.063 90.784 65.888 1.00 53.34 C +ATOM 2747 CE1 TYR A 190 72.036 88.852 65.561 1.00 59.10 C +ATOM 2748 CE2 TYR A 190 73.089 90.610 66.888 1.00 58.43 C +ATOM 2749 CZ TYR A 190 72.079 89.642 66.728 1.00 57.77 C +ATOM 2750 OH TYR A 190 71.158 89.462 67.708 1.00 57.33 O +ATOM 2751 H TYR A 190 77.158 90.475 65.066 1.00 61.08 H +ATOM 2752 HA TYR A 190 75.789 88.205 63.835 1.00 65.54 H +ATOM 2753 HB2 TYR A 190 75.431 91.215 63.670 1.00 63.06 H +ATOM 2754 HB3 TYR A 190 74.510 90.103 62.687 1.00 63.06 H +ATOM 2755 HD1 TYR A 190 72.984 88.416 63.676 1.00 65.59 H +ATOM 2756 HD2 TYR A 190 74.853 91.510 66.009 1.00 64.01 H +ATOM 2757 HE1 TYR A 190 71.264 88.108 65.438 1.00 70.92 H +ATOM 2758 HE2 TYR A 190 73.111 91.200 67.792 1.00 70.12 H +ATOM 2759 HH TYR A 190 70.543 88.762 67.488 1.00 68.79 H +ATOM 2760 N SER A 191 76.208 88.505 61.340 1.00 49.05 N +ATOM 2761 CA SER A 191 76.586 88.387 59.930 1.00 45.75 C +ATOM 2762 C SER A 191 75.351 88.180 59.040 1.00 42.30 C +ATOM 2763 O SER A 191 74.402 87.520 59.471 1.00 40.30 O +ATOM 2764 CB SER A 191 77.535 87.194 59.797 1.00 47.16 C +ATOM 2765 OG SER A 191 76.909 86.011 60.263 1.00 45.36 O +ATOM 2766 H SER A 191 75.354 88.039 61.609 1.00 58.86 H +ATOM 2767 HA SER A 191 77.109 89.288 59.610 1.00 54.90 H +ATOM 2768 HB2 SER A 191 77.823 87.067 58.754 1.00 56.59 H +ATOM 2769 HB3 SER A 191 78.431 87.380 60.389 1.00 56.59 H +ATOM 2770 HG SER A 191 76.524 86.185 61.124 1.00 54.44 H +ATOM 2771 N LEU A 192 75.380 88.699 57.805 1.00 42.66 N +ATOM 2772 CA LEU A 192 74.379 88.474 56.745 1.00 40.74 C +ATOM 2773 C LEU A 192 74.920 88.851 55.359 1.00 40.08 C +ATOM 2774 O LEU A 192 75.991 89.434 55.228 1.00 46.80 O +ATOM 2775 CB LEU A 192 73.066 89.223 57.049 1.00 46.24 C +ATOM 2776 CG LEU A 192 73.102 90.766 57.006 1.00 55.87 C +ATOM 2777 CD1 LEU A 192 73.106 91.370 55.594 1.00 55.44 C +ATOM 2778 CD2 LEU A 192 71.837 91.316 57.661 1.00 56.24 C +ATOM 2779 H LEU A 192 76.186 89.247 57.540 1.00 51.19 H +ATOM 2780 HA LEU A 192 74.151 87.409 56.719 1.00 48.89 H +ATOM 2781 HB2 LEU A 192 72.301 88.882 56.353 1.00 55.48 H +ATOM 2782 HB3 LEU A 192 72.733 88.916 58.039 1.00 55.48 H +ATOM 2783 HG LEU A 192 73.965 91.130 57.562 1.00 67.04 H +ATOM 2784 HD11 LEU A 192 72.925 92.443 55.649 1.00 66.53 H +ATOM 2785 HD12 LEU A 192 74.072 91.239 55.107 1.00 66.53 H +ATOM 2786 HD13 LEU A 192 72.326 90.913 54.986 1.00 66.53 H +ATOM 2787 HD21 LEU A 192 71.924 92.397 57.758 1.00 67.48 H +ATOM 2788 HD22 LEU A 192 70.960 91.063 57.069 1.00 67.48 H +ATOM 2789 HD23 LEU A 192 71.716 90.900 58.660 1.00 67.48 H +ATOM 2790 N SER A 193 74.162 88.567 54.307 1.00 37.75 N +ATOM 2791 CA SER A 193 74.476 88.971 52.930 1.00 40.12 C +ATOM 2792 C SER A 193 73.198 89.292 52.146 1.00 44.61 C +ATOM 2793 O SER A 193 72.109 89.276 52.706 1.00 45.46 O +ATOM 2794 CB SER A 193 75.314 87.877 52.256 1.00 43.33 C +ATOM 2795 OG SER A 193 74.764 86.595 52.446 1.00 43.86 O +ATOM 2796 H SER A 193 73.267 88.126 54.461 1.00 45.29 H +ATOM 2797 HA SER A 193 75.070 89.884 52.950 1.00 48.15 H +ATOM 2798 HB2 SER A 193 75.411 88.064 51.188 1.00 51.99 H +ATOM 2799 HB3 SER A 193 76.311 87.886 52.693 1.00 51.99 H +ATOM 2800 HG SER A 193 73.920 86.525 51.999 1.00 52.64 H +ATOM 2801 N SER A 194 73.299 89.625 50.862 1.00 49.47 N +ATOM 2802 CA SER A 194 72.144 89.773 49.961 1.00 48.63 C +ATOM 2803 C SER A 194 72.540 89.478 48.516 1.00 49.27 C +ATOM 2804 O SER A 194 73.715 89.588 48.184 1.00 57.41 O +ATOM 2805 CB SER A 194 71.537 91.167 50.075 1.00 62.91 C +ATOM 2806 OG SER A 194 70.395 91.253 49.249 1.00 63.17 O +ATOM 2807 H SER A 194 74.222 89.722 50.465 1.00 59.37 H +ATOM 2808 HA SER A 194 71.369 89.066 50.255 1.00 58.36 H +ATOM 2809 HB2 SER A 194 71.257 91.370 51.108 1.00 75.50 H +ATOM 2810 HB3 SER A 194 72.273 91.903 49.752 1.00 75.50 H +ATOM 2811 HG SER A 194 69.634 90.905 49.717 1.00 75.80 H +ATOM 2812 N VAL A 195 71.580 89.118 47.661 1.00 46.43 N +ATOM 2813 CA VAL A 195 71.766 88.883 46.223 1.00 45.87 C +ATOM 2814 C VAL A 195 70.551 89.410 45.448 1.00 63.50 C +ATOM 2815 O VAL A 195 69.421 89.311 45.926 1.00 61.49 O +ATOM 2816 CB VAL A 195 71.996 87.390 45.919 1.00 38.73 C +ATOM 2817 CG1 VAL A 195 72.304 87.145 44.439 1.00 46.81 C +ATOM 2818 CG2 VAL A 195 73.161 86.797 46.713 1.00 41.25 C +ATOM 2819 H VAL A 195 70.627 89.164 47.992 1.00 55.72 H +ATOM 2820 HA VAL A 195 72.645 89.436 45.894 1.00 55.04 H +ATOM 2821 HB VAL A 195 71.094 86.838 46.181 1.00 46.47 H +ATOM 2822 HG11 VAL A 195 72.484 86.084 44.273 1.00 56.17 H +ATOM 2823 HG12 VAL A 195 71.464 87.432 43.810 1.00 56.17 H +ATOM 2824 HG13 VAL A 195 73.193 87.697 44.140 1.00 56.17 H +ATOM 2825 HG21 VAL A 195 73.314 85.756 46.429 1.00 49.50 H +ATOM 2826 HG22 VAL A 195 74.073 87.359 46.513 1.00 49.50 H +ATOM 2827 HG23 VAL A 195 72.946 86.823 47.781 1.00 49.50 H +ATOM 2828 N VAL A 196 70.758 89.931 44.241 1.00 62.07 N +ATOM 2829 CA VAL A 196 69.746 90.485 43.325 1.00 65.22 C +ATOM 2830 C VAL A 196 70.133 90.180 41.874 1.00 67.98 C +ATOM 2831 O VAL A 196 71.295 89.887 41.594 1.00 72.93 O +ATOM 2832 CB VAL A 196 69.570 91.990 43.592 1.00 64.99 C +ATOM 2833 CG1 VAL A 196 70.824 92.809 43.272 1.00 69.48 C +ATOM 2834 CG2 VAL A 196 68.401 92.586 42.812 1.00 68.15 C +ATOM 2835 H VAL A 196 71.713 89.973 43.915 1.00 74.48 H +ATOM 2836 HA VAL A 196 68.792 89.995 43.519 1.00 78.26 H +ATOM 2837 HB VAL A 196 69.355 92.112 44.653 1.00 77.98 H +ATOM 2838 HG11 VAL A 196 70.666 93.848 43.556 1.00 83.38 H +ATOM 2839 HG12 VAL A 196 71.677 92.429 43.833 1.00 83.38 H +ATOM 2840 HG13 VAL A 196 71.050 92.763 42.208 1.00 83.38 H +ATOM 2841 HG21 VAL A 196 68.204 93.597 43.167 1.00 81.78 H +ATOM 2842 HG22 VAL A 196 68.630 92.645 41.749 1.00 81.78 H +ATOM 2843 HG23 VAL A 196 67.503 91.988 42.961 1.00 81.78 H +ATOM 2844 N THR A 197 69.170 90.171 40.953 1.00 68.17 N +ATOM 2845 CA THR A 197 69.350 89.572 39.619 1.00 80.98 C +ATOM 2846 C THR A 197 68.828 90.444 38.463 1.00 89.47 C +ATOM 2847 O THR A 197 67.655 90.820 38.450 1.00 90.72 O +ATOM 2848 CB THR A 197 68.667 88.196 39.583 1.00 90.42 C +ATOM 2849 OG1 THR A 197 67.288 88.313 39.857 1.00 92.25 O +ATOM 2850 CG2 THR A 197 69.215 87.228 40.628 1.00 88.78 C +ATOM 2851 H THR A 197 68.230 90.411 41.234 1.00 81.81 H +ATOM 2852 HA THR A 197 70.411 89.403 39.439 1.00 97.17 H +ATOM 2853 HB THR A 197 68.805 87.761 38.594 1.00108.50 H +ATOM 2854 HG1 THR A 197 66.939 88.988 39.274 1.00110.70 H +ATOM 2855 HG21 THR A 197 68.809 86.235 40.447 1.00106.54 H +ATOM 2856 HG22 THR A 197 70.300 87.185 40.556 1.00106.54 H +ATOM 2857 HG23 THR A 197 68.936 87.543 41.631 1.00106.54 H +ATOM 2858 N VAL A 198 69.660 90.692 37.443 1.00 91.62 N +ATOM 2859 CA VAL A 198 69.348 91.489 36.227 1.00 95.02 C +ATOM 2860 C VAL A 198 70.024 90.879 34.977 1.00 95.00 C +ATOM 2861 O VAL A 198 70.863 89.987 35.128 1.00 95.56 O +ATOM 2862 CB VAL A 198 69.747 92.974 36.410 1.00100.74 C +ATOM 2863 CG1 VAL A 198 69.106 93.611 37.646 1.00101.03 C +ATOM 2864 CG2 VAL A 198 71.256 93.205 36.489 1.00 93.77 C +ATOM 2865 H VAL A 198 70.608 90.357 37.524 1.00109.94 H +ATOM 2866 HA VAL A 198 68.273 91.456 36.055 1.00114.03 H +ATOM 2867 HB VAL A 198 69.382 93.537 35.553 1.00120.88 H +ATOM 2868 HG11 VAL A 198 69.290 94.684 37.640 1.00121.23 H +ATOM 2869 HG12 VAL A 198 68.031 93.444 37.629 1.00121.23 H +ATOM 2870 HG13 VAL A 198 69.528 93.193 38.558 1.00121.23 H +ATOM 2871 HG21 VAL A 198 71.460 94.259 36.667 1.00112.53 H +ATOM 2872 HG22 VAL A 198 71.689 92.618 37.297 1.00112.53 H +ATOM 2873 HG23 VAL A 198 71.723 92.934 35.544 1.00112.53 H +ATOM 2874 N PRO A 199 69.703 91.293 33.735 1.00 95.19 N +ATOM 2875 CA PRO A 199 70.419 90.831 32.542 1.00 91.31 C +ATOM 2876 C PRO A 199 71.903 91.213 32.566 1.00 90.79 C +ATOM 2877 O PRO A 199 72.260 92.312 32.977 1.00 91.19 O +ATOM 2878 CB PRO A 199 69.713 91.479 31.343 1.00 92.79 C +ATOM 2879 CG PRO A 199 68.328 91.825 31.882 1.00 98.05 C +ATOM 2880 CD PRO A 199 68.615 92.172 33.341 1.00 97.53 C +ATOM 2881 HA PRO A 199 70.319 89.749 32.471 1.00109.57 H +ATOM 2882 HB2 PRO A 199 70.221 92.398 31.055 1.00111.35 H +ATOM 2883 HB3 PRO A 199 69.654 90.800 30.493 1.00111.35 H +ATOM 2884 HG2 PRO A 199 67.883 92.663 31.347 1.00117.66 H +ATOM 2885 HG3 PRO A 199 67.685 90.948 31.832 1.00117.66 H +ATOM 2886 HD2 PRO A 199 68.940 93.210 33.402 1.00117.04 H +ATOM 2887 HD3 PRO A 199 67.724 92.016 33.947 1.00117.04 H +ATOM 2888 N SER A 200 72.787 90.344 32.079 1.00 88.64 N +ATOM 2889 CA SER A 200 74.237 90.594 32.069 1.00 90.21 C +ATOM 2890 C SER A 200 74.656 91.793 31.211 1.00 92.27 C +ATOM 2891 O SER A 200 75.666 92.431 31.503 1.00 89.73 O +ATOM 2892 CB SER A 200 74.977 89.342 31.595 1.00 87.23 C +ATOM 2893 OG SER A 200 74.553 88.959 30.298 1.00 90.52 O +ATOM 2894 H SER A 200 72.457 89.453 31.738 1.00106.37 H +ATOM 2895 HA SER A 200 74.558 90.805 33.088 1.00108.25 H +ATOM 2896 HB2 SER A 200 76.050 89.531 31.590 1.00104.67 H +ATOM 2897 HB3 SER A 200 74.779 88.532 32.294 1.00104.67 H +ATOM 2898 HG SER A 200 75.077 89.416 29.645 1.00108.63 H +ATOM 2899 N SER A 201 73.880 92.139 30.182 1.00 95.49 N +ATOM 2900 CA SER A 201 74.167 93.257 29.275 1.00 93.61 C +ATOM 2901 C SER A 201 74.280 94.615 29.976 1.00 95.20 C +ATOM 2902 O SER A 201 74.967 95.499 29.468 1.00 95.27 O +ATOM 2903 CB SER A 201 73.072 93.330 28.205 1.00 96.51 C +ATOM 2904 OG SER A 201 71.786 93.511 28.780 1.00 92.19 O +ATOM 2905 H SER A 201 73.049 91.595 30.007 1.00114.59 H +ATOM 2906 HA SER A 201 75.115 93.065 28.773 1.00112.33 H +ATOM 2907 HB2 SER A 201 73.287 94.160 27.532 1.00115.82 H +ATOM 2908 HB3 SER A 201 73.081 92.408 27.625 1.00115.82 H +ATOM 2909 HG SER A 201 71.149 93.561 28.066 1.00110.63 H +ATOM 2910 N SER A 202 73.643 94.805 31.136 1.00 97.29 N +ATOM 2911 CA SER A 202 73.688 96.067 31.879 1.00 94.95 C +ATOM 2912 C SER A 202 74.879 96.194 32.831 1.00 94.42 C +ATOM 2913 O SER A 202 75.109 97.286 33.356 1.00 97.70 O +ATOM 2914 CB SER A 202 72.390 96.268 32.654 1.00 94.39 C +ATOM 2915 OG SER A 202 72.304 95.350 33.719 1.00 92.80 O +ATOM 2916 H SER A 202 73.091 94.052 31.520 1.00116.74 H +ATOM 2917 HA SER A 202 73.763 96.888 31.166 1.00113.94 H +ATOM 2918 HB2 SER A 202 72.376 97.280 33.056 1.00113.27 H +ATOM 2919 HB3 SER A 202 71.536 96.145 31.989 1.00113.27 H +ATOM 2920 HG SER A 202 71.889 95.808 34.451 1.00111.36 H +ATOM 2921 N LEU A 203 75.671 95.139 33.062 1.00 89.48 N +ATOM 2922 CA LEU A 203 76.791 95.196 34.006 1.00 88.26 C +ATOM 2923 C LEU A 203 77.786 96.311 33.629 1.00 96.75 C +ATOM 2924 O LEU A 203 78.120 96.491 32.456 1.00 95.94 O +ATOM 2925 CB LEU A 203 77.458 93.815 34.110 1.00 77.52 C +ATOM 2926 CG LEU A 203 78.542 93.716 35.197 1.00 73.15 C +ATOM 2927 CD1 LEU A 203 77.986 93.960 36.600 1.00 67.82 C +ATOM 2928 CD2 LEU A 203 79.149 92.318 35.183 1.00 77.33 C +ATOM 2929 H LEU A 203 75.481 94.270 32.584 1.00107.38 H +ATOM 2930 HA LEU A 203 76.361 95.441 34.977 1.00105.92 H +ATOM 2931 HB2 LEU A 203 76.691 93.070 34.317 1.00 93.02 H +ATOM 2932 HB3 LEU A 203 77.906 93.573 33.147 1.00 93.02 H +ATOM 2933 HG LEU A 203 79.331 94.438 34.995 1.00 87.78 H +ATOM 2934 HD11 LEU A 203 78.768 93.794 37.337 1.00 81.39 H +ATOM 2935 HD12 LEU A 203 77.644 94.988 36.709 1.00 81.39 H +ATOM 2936 HD13 LEU A 203 77.158 93.284 36.797 1.00 81.39 H +ATOM 2937 HD21 LEU A 203 79.946 92.251 35.922 1.00 92.80 H +ATOM 2938 HD22 LEU A 203 78.389 91.573 35.406 1.00 92.80 H +ATOM 2939 HD23 LEU A 203 79.571 92.115 34.201 1.00 92.80 H +ATOM 2940 N GLY A 204 78.181 97.125 34.613 1.00 99.05 N +ATOM 2941 CA GLY A 204 79.041 98.302 34.429 1.00 92.96 C +ATOM 2942 C GLY A 204 78.463 99.440 33.571 1.00 99.98 C +ATOM 2943 O GLY A 204 79.133 100.447 33.370 1.00101.82 O +ATOM 2944 H GLY A 204 77.850 96.938 35.548 1.00118.86 H +ATOM 2945 HA2 GLY A 204 79.291 98.716 35.404 1.00111.55 H +ATOM 2946 HA3 GLY A 204 79.960 97.967 33.951 1.00111.55 H +ATOM 2947 N THR A 205 77.242 99.286 33.047 1.00102.50 N +ATOM 2948 CA THR A 205 76.615 100.190 32.061 1.00103.46 C +ATOM 2949 C THR A 205 75.801 101.314 32.720 1.00104.63 C +ATOM 2950 O THR A 205 75.495 102.322 32.085 1.00106.03 O +ATOM 2951 CB THR A 205 75.719 99.365 31.114 1.00100.19 C +ATOM 2952 OG1 THR A 205 76.433 98.260 30.604 1.00 96.09 O +ATOM 2953 CG2 THR A 205 75.191 100.124 29.901 1.00104.91 C +ATOM 2954 H THR A 205 76.740 98.443 33.281 1.00123.01 H +ATOM 2955 HA THR A 205 77.394 100.661 31.463 1.00124.16 H +ATOM 2956 HB THR A 205 74.860 98.993 31.671 1.00120.23 H +ATOM 2957 HG1 THR A 205 76.709 97.721 31.348 1.00115.30 H +ATOM 2958 HG21 THR A 205 74.702 99.434 29.219 1.00125.89 H +ATOM 2959 HG22 THR A 205 74.457 100.863 30.213 1.00125.89 H +ATOM 2960 HG23 THR A 205 76.007 100.621 29.386 1.00125.89 H +ATOM 2961 N GLN A 206 75.448 101.152 33.995 1.00 99.53 N +ATOM 2962 CA GLN A 206 74.534 102.000 34.769 1.00 94.48 C +ATOM 2963 C GLN A 206 75.115 102.283 36.167 1.00 95.44 C +ATOM 2964 O GLN A 206 76.144 101.721 36.548 1.00 98.94 O +ATOM 2965 CB GLN A 206 73.155 101.311 34.841 1.00 95.86 C +ATOM 2966 CG GLN A 206 72.422 101.331 33.491 1.00 91.51 C +ATOM 2967 CD GLN A 206 71.168 100.464 33.435 1.00 96.88 C +ATOM 2968 OE1 GLN A 206 70.874 99.646 34.296 1.00 98.27 O +ATOM 2969 NE2 GLN A 206 70.388 100.584 32.387 1.00 98.06 N +ATOM 2970 H GLN A 206 75.809 100.338 34.471 1.00119.44 H +ATOM 2971 HA GLN A 206 74.410 102.963 34.275 1.00113.37 H +ATOM 2972 HB2 GLN A 206 73.305 100.280 35.155 1.00115.03 H +ATOM 2973 HB3 GLN A 206 72.526 101.810 35.575 1.00115.03 H +ATOM 2974 HG2 GLN A 206 72.151 102.357 33.254 1.00109.81 H +ATOM 2975 HG3 GLN A 206 73.085 100.971 32.707 1.00109.81 H +ATOM 2976 HE21 GLN A 206 69.550 100.024 32.344 1.00117.67 H +ATOM 2977 HE22 GLN A 206 70.602 101.254 31.665 1.00117.67 H +ATOM 2978 N THR A 207 74.473 103.163 36.939 1.00 97.55 N +ATOM 2979 CA THR A 207 74.828 103.477 38.339 1.00 96.85 C +ATOM 2980 C THR A 207 74.538 102.284 39.256 1.00105.00 C +ATOM 2981 O THR A 207 73.513 102.247 39.936 1.00 91.71 O +ATOM 2982 CB THR A 207 74.084 104.741 38.819 1.00 91.07 C +ATOM 2983 OG1 THR A 207 74.393 105.814 37.962 1.00 96.92 O +ATOM 2984 CG2 THR A 207 74.484 105.195 40.224 1.00 96.47 C +ATOM 2985 H THR A 207 73.670 103.634 36.549 1.00117.06 H +ATOM 2986 HA THR A 207 75.896 103.685 38.390 1.00116.22 H +ATOM 2987 HB THR A 207 73.009 104.570 38.789 1.00109.28 H +ATOM 2988 HG1 THR A 207 73.867 106.563 38.246 1.00116.31 H +ATOM 2989 HG21 THR A 207 74.051 106.169 40.440 1.00115.77 H +ATOM 2990 HG22 THR A 207 74.114 104.495 40.968 1.00115.77 H +ATOM 2991 HG23 THR A 207 75.566 105.255 40.297 1.00115.77 H +ATOM 2992 N TYR A 208 75.415 101.277 39.255 1.00 92.88 N +ATOM 2993 CA TYR A 208 75.255 100.049 40.037 1.00 83.87 C +ATOM 2994 C TYR A 208 76.146 100.087 41.269 1.00 71.75 C +ATOM 2995 O TYR A 208 77.346 100.354 41.207 1.00 71.94 O +ATOM 2996 CB TYR A 208 75.488 98.796 39.180 1.00 83.17 C +ATOM 2997 CG TYR A 208 74.379 98.398 38.207 1.00 85.25 C +ATOM 2998 CD1 TYR A 208 73.207 99.167 38.044 1.00 85.71 C +ATOM 2999 CD2 TYR A 208 74.513 97.199 37.477 1.00 90.96 C +ATOM 3000 CE1 TYR A 208 72.191 98.752 37.167 1.00 88.66 C +ATOM 3001 CE2 TYR A 208 73.497 96.777 36.594 1.00 91.01 C +ATOM 3002 CZ TYR A 208 72.332 97.558 36.436 1.00 92.82 C +ATOM 3003 OH TYR A 208 71.356 97.194 35.563 1.00 91.25 O +ATOM 3004 H TYR A 208 76.200 101.334 38.622 1.00111.46 H +ATOM 3005 HA TYR A 208 74.232 99.991 40.405 1.00100.65 H +ATOM 3006 HB2 TYR A 208 76.417 98.916 38.625 1.00 99.81 H +ATOM 3007 HB3 TYR A 208 75.627 97.955 39.859 1.00 99.81 H +ATOM 3008 HD1 TYR A 208 73.058 100.086 38.592 1.00102.86 H +ATOM 3009 HD2 TYR A 208 75.397 96.591 37.604 1.00109.15 H +ATOM 3010 HE1 TYR A 208 71.305 99.355 37.041 1.00106.39 H +ATOM 3011 HE2 TYR A 208 73.610 95.860 36.036 1.00109.21 H +ATOM 3012 HH TYR A 208 70.940 97.984 35.214 1.00109.50 H +ATOM 3013 N ILE A 209 75.509 99.897 42.415 1.00 72.54 N +ATOM 3014 CA ILE A 209 76.048 100.291 43.708 1.00 75.00 C +ATOM 3015 C ILE A 209 75.223 99.627 44.807 1.00 79.84 C +ATOM 3016 O ILE A 209 73.998 99.633 44.762 1.00 81.56 O +ATOM 3017 CB ILE A 209 76.074 101.839 43.823 1.00 75.28 C +ATOM 3018 CG1 ILE A 209 76.517 102.317 45.218 1.00 84.29 C +ATOM 3019 CG2 ILE A 209 74.737 102.485 43.447 1.00 78.81 C +ATOM 3020 CD1 ILE A 209 76.642 103.839 45.378 1.00 85.29 C +ATOM 3021 H ILE A 209 74.527 99.662 42.380 1.00 87.04 H +ATOM 3022 HA ILE A 209 77.069 99.920 43.786 1.00 90.00 H +ATOM 3023 HB ILE A 209 76.809 102.205 43.107 1.00 90.34 H +ATOM 3024 HG12 ILE A 209 75.822 101.951 45.970 1.00101.14 H +ATOM 3025 HG13 ILE A 209 77.496 101.893 45.430 1.00101.14 H +ATOM 3026 HG21 ILE A 209 74.802 103.571 43.478 1.00 94.57 H +ATOM 3027 HG22 ILE A 209 74.486 102.228 42.420 1.00 94.57 H +ATOM 3028 HG23 ILE A 209 73.961 102.140 44.127 1.00 94.57 H +ATOM 3029 HD11 ILE A 209 77.137 104.061 46.321 1.00102.34 H +ATOM 3030 HD12 ILE A 209 77.231 104.256 44.566 1.00102.34 H +ATOM 3031 HD13 ILE A 209 75.662 104.309 45.396 1.00102.34 H +ATOM 3032 N CYS A 210 75.910 99.043 45.777 1.00 77.78 N +ATOM 3033 CA CYS A 210 75.377 98.484 47.012 1.00 80.17 C +ATOM 3034 C CYS A 210 74.992 99.624 47.969 1.00 81.40 C +ATOM 3035 O CYS A 210 75.834 100.489 48.209 1.00 81.32 O +ATOM 3036 CB CYS A 210 76.517 97.613 47.570 1.00 81.60 C +ATOM 3037 SG CYS A 210 76.072 96.767 49.104 1.00 89.56 S +ATOM 3038 H CYS A 210 76.916 99.104 45.720 1.00 93.33 H +ATOM 3039 HA CYS A 210 74.501 97.871 46.806 1.00 96.20 H +ATOM 3040 HB2 CYS A 210 76.797 96.868 46.826 1.00 97.92 H +ATOM 3041 HB3 CYS A 210 77.383 98.244 47.766 1.00 97.92 H +ATOM 3042 HG CYS A 210 75.189 95.925 48.561 1.00107.47 H +ATOM 3043 N ASN A 211 73.771 99.641 48.516 1.00 76.03 N +ATOM 3044 CA ASN A 211 73.272 100.691 49.415 1.00 77.70 C +ATOM 3045 C ASN A 211 72.590 100.102 50.673 1.00 79.68 C +ATOM 3046 O ASN A 211 71.508 99.519 50.598 1.00 77.99 O +ATOM 3047 CB ASN A 211 72.306 101.592 48.626 1.00 83.07 C +ATOM 3048 CG ASN A 211 72.897 102.232 47.385 1.00 87.41 C +ATOM 3049 OD1 ASN A 211 72.429 102.042 46.273 1.00 96.60 O +ATOM 3050 ND2 ASN A 211 73.899 103.057 47.530 1.00 90.49 N +ATOM 3051 H ASN A 211 73.109 98.926 48.250 1.00 91.23 H +ATOM 3052 HA ASN A 211 74.106 101.304 49.756 1.00 93.24 H +ATOM 3053 HB2 ASN A 211 71.443 101.008 48.310 1.00 99.68 H +ATOM 3054 HB3 ASN A 211 71.957 102.391 49.280 1.00 99.68 H +ATOM 3055 HD21 ASN A 211 74.305 103.488 46.713 1.00108.59 H +ATOM 3056 HD22 ASN A 211 74.270 103.234 48.452 1.00108.59 H +ATOM 3057 N VAL A 212 73.201 100.261 51.848 1.00 76.96 N +ATOM 3058 CA VAL A 212 72.846 99.548 53.096 1.00 77.95 C +ATOM 3059 C VAL A 212 72.611 100.511 54.258 1.00 80.09 C +ATOM 3060 O VAL A 212 73.296 101.523 54.349 1.00 81.79 O +ATOM 3061 CB VAL A 212 73.962 98.550 53.470 1.00 77.66 C +ATOM 3062 CG1 VAL A 212 73.676 97.784 54.768 1.00 71.44 C +ATOM 3063 CG2 VAL A 212 74.185 97.524 52.353 1.00 77.75 C +ATOM 3064 H VAL A 212 74.060 100.790 51.864 1.00 92.35 H +ATOM 3065 HA VAL A 212 71.926 98.984 52.944 1.00 93.54 H +ATOM 3066 HB VAL A 212 74.893 99.098 53.610 1.00 93.19 H +ATOM 3067 HG11 VAL A 212 74.427 97.010 54.917 1.00 85.73 H +ATOM 3068 HG12 VAL A 212 73.724 98.454 55.625 1.00 85.73 H +ATOM 3069 HG13 VAL A 212 72.694 97.318 54.718 1.00 85.73 H +ATOM 3070 HG21 VAL A 212 74.925 96.786 52.658 1.00 93.30 H +ATOM 3071 HG22 VAL A 212 73.249 97.022 52.118 1.00 93.30 H +ATOM 3072 HG23 VAL A 212 74.559 98.019 51.459 1.00 93.30 H +ATOM 3073 N ASN A 213 71.702 100.187 55.186 1.00 79.94 N +ATOM 3074 CA ASN A 213 71.571 100.876 56.478 1.00 76.37 C +ATOM 3075 C ASN A 213 71.621 99.919 57.683 1.00 73.37 C +ATOM 3076 O ASN A 213 70.806 99.003 57.790 1.00 70.82 O +ATOM 3077 CB ASN A 213 70.291 101.722 56.483 1.00 77.89 C +ATOM 3078 CG ASN A 213 70.484 103.027 55.743 1.00 86.79 C +ATOM 3079 OD1 ASN A 213 70.936 104.008 56.304 1.00 81.53 O +ATOM 3080 ND2 ASN A 213 70.140 103.091 54.480 1.00 88.97 N +ATOM 3081 H ASN A 213 71.159 99.349 55.044 1.00 95.93 H +ATOM 3082 HA ASN A 213 72.409 101.561 56.598 1.00 91.64 H +ATOM 3083 HB2 ASN A 213 69.465 101.157 56.053 1.00 93.46 H +ATOM 3084 HB3 ASN A 213 70.029 101.967 57.511 1.00 93.46 H +ATOM 3085 HD21 ASN A 213 70.245 103.973 54.001 1.00106.76 H +ATOM 3086 HD22 ASN A 213 69.747 102.286 54.016 1.00106.76 H +ATOM 3087 N HIS A 214 72.530 100.172 58.629 1.00 71.35 N +ATOM 3088 CA HIS A 214 72.612 99.478 59.925 1.00 64.76 C +ATOM 3089 C HIS A 214 71.728 100.182 60.951 1.00 69.90 C +ATOM 3090 O HIS A 214 72.129 101.191 61.527 1.00 71.85 O +ATOM 3091 CB HIS A 214 74.075 99.437 60.394 1.00 62.52 C +ATOM 3092 CG HIS A 214 74.245 98.939 61.808 1.00 58.78 C +ATOM 3093 ND1 HIS A 214 74.645 99.712 62.900 1.00 62.09 N +ATOM 3094 CD2 HIS A 214 73.997 97.672 62.237 1.00 65.71 C +ATOM 3095 CE1 HIS A 214 74.667 98.877 63.952 1.00 65.08 C +ATOM 3096 NE2 HIS A 214 74.256 97.653 63.589 1.00 65.54 N +ATOM 3097 H HIS A 214 73.149 100.956 58.480 1.00 85.62 H +ATOM 3098 HA HIS A 214 72.258 98.453 59.823 1.00 77.71 H +ATOM 3099 HB2 HIS A 214 74.643 98.793 59.725 1.00 75.02 H +ATOM 3100 HB3 HIS A 214 74.499 100.438 60.337 1.00 75.02 H +ATOM 3101 HD2 HIS A 214 73.654 96.844 61.636 1.00 78.85 H +ATOM 3102 HE1 HIS A 214 74.965 99.153 64.952 1.00 78.10 H +ATOM 3103 HE2 HIS A 214 74.118 96.864 64.202 1.00 78.65 H +ATOM 3104 N LYS A 215 70.510 99.692 61.178 1.00 70.48 N +ATOM 3105 CA LYS A 215 69.473 100.419 61.936 1.00 77.60 C +ATOM 3106 C LYS A 215 69.844 100.771 63.393 1.00 79.26 C +ATOM 3107 O LYS A 215 69.476 101.858 63.826 1.00 78.68 O +ATOM 3108 CB LYS A 215 68.139 99.656 61.854 1.00 77.48 C +ATOM 3109 CG LYS A 215 67.579 99.510 60.428 1.00 80.33 C +ATOM 3110 CD LYS A 215 67.143 100.858 59.835 1.00 87.84 C +ATOM 3111 CE LYS A 215 66.493 100.673 58.460 1.00 90.88 C +ATOM 3112 NZ LYS A 215 65.925 101.945 57.941 1.00 93.49 N +ATOM 3113 H LYS A 215 70.264 98.803 60.769 1.00 84.58 H +ATOM 3114 HA LYS A 215 69.326 101.389 61.459 1.00 93.12 H +ATOM 3115 HB2 LYS A 215 68.270 98.658 62.271 1.00 92.97 H +ATOM 3116 HB3 LYS A 215 67.396 100.169 62.464 1.00 92.97 H +ATOM 3117 HG2 LYS A 215 68.318 99.043 59.778 1.00 96.40 H +ATOM 3118 HG3 LYS A 215 66.712 98.852 60.472 1.00 96.40 H +ATOM 3119 HD2 LYS A 215 66.427 101.321 60.511 1.00105.40 H +ATOM 3120 HD3 LYS A 215 68.003 101.515 59.733 1.00105.40 H +ATOM 3121 HE2 LYS A 215 67.235 100.275 57.771 1.00109.06 H +ATOM 3122 HE3 LYS A 215 65.702 99.932 58.549 1.00109.06 H +ATOM 3123 HZ1 LYS A 215 65.477 101.811 57.049 1.00112.19 H +ATOM 3124 HZ2 LYS A 215 65.223 102.308 58.567 1.00112.19 H +ATOM 3125 HZ3 LYS A 215 66.629 102.657 57.832 1.00112.19 H +ATOM 3126 N PRO A 216 70.624 99.973 64.152 1.00 79.45 N +ATOM 3127 CA PRO A 216 71.047 100.355 65.504 1.00 72.70 C +ATOM 3128 C PRO A 216 71.984 101.563 65.578 1.00 74.56 C +ATOM 3129 O PRO A 216 72.055 102.205 66.622 1.00 75.55 O +ATOM 3130 CB PRO A 216 71.700 99.119 66.107 1.00 68.03 C +ATOM 3131 CG PRO A 216 70.982 97.997 65.375 1.00 70.55 C +ATOM 3132 CD PRO A 216 70.836 98.554 63.970 1.00 75.63 C +ATOM 3133 HA PRO A 216 70.154 100.583 66.086 1.00 87.24 H +ATOM 3134 HB2 PRO A 216 72.764 99.094 65.874 1.00 81.64 H +ATOM 3135 HB3 PRO A 216 71.541 99.066 67.184 1.00 81.64 H +ATOM 3136 HG2 PRO A 216 71.562 97.075 65.384 1.00 84.66 H +ATOM 3137 HG3 PRO A 216 69.997 97.848 65.816 1.00 84.66 H +ATOM 3138 HD2 PRO A 216 71.745 98.387 63.394 1.00 90.76 H +ATOM 3139 HD3 PRO A 216 69.986 98.079 63.483 1.00 90.76 H +ATOM 3140 N SER A 217 72.670 101.912 64.488 1.00 73.26 N +ATOM 3141 CA SER A 217 73.340 103.216 64.350 1.00 72.95 C +ATOM 3142 C SER A 217 72.622 104.172 63.390 1.00 74.13 C +ATOM 3143 O SER A 217 72.970 105.345 63.317 1.00 75.27 O +ATOM 3144 CB SER A 217 74.772 103.005 63.873 1.00 79.96 C +ATOM 3145 OG SER A 217 74.773 102.499 62.550 1.00 79.48 O +ATOM 3146 H SER A 217 72.636 101.309 63.679 1.00 87.91 H +ATOM 3147 HA SER A 217 73.392 103.716 65.317 1.00 87.54 H +ATOM 3148 HB2 SER A 217 75.298 103.958 63.891 1.00 95.95 H +ATOM 3149 HB3 SER A 217 75.286 102.311 64.537 1.00 95.95 H +ATOM 3150 HG SER A 217 74.744 101.542 62.608 1.00 95.38 H +ATOM 3151 N ASN A 218 71.670 103.661 62.609 1.00 71.68 N +ATOM 3152 CA ASN A 218 71.086 104.268 61.414 1.00 72.91 C +ATOM 3153 C ASN A 218 72.117 104.755 60.377 1.00 74.29 C +ATOM 3154 O ASN A 218 71.818 105.615 59.551 1.00 79.38 O +ATOM 3155 CB ASN A 218 70.016 105.296 61.809 1.00 80.90 C +ATOM 3156 CG ASN A 218 68.833 104.620 62.467 1.00 82.68 C +ATOM 3157 OD1 ASN A 218 68.183 103.772 61.875 1.00 79.24 O +ATOM 3158 ND2 ASN A 218 68.515 104.971 63.690 1.00 83.37 N +ATOM 3159 H ASN A 218 71.475 102.680 62.735 1.00 86.02 H +ATOM 3160 HA ASN A 218 70.567 103.465 60.892 1.00 87.50 H +ATOM 3161 HB2 ASN A 218 70.444 106.047 62.472 1.00 97.08 H +ATOM 3162 HB3 ASN A 218 69.642 105.805 60.921 1.00 97.08 H +ATOM 3163 HD21 ASN A 218 67.748 104.494 64.140 1.00100.04 H +ATOM 3164 HD22 ASN A 218 69.047 105.677 64.175 1.00100.04 H +ATOM 3165 N THR A 219 73.337 104.218 60.396 1.00 73.70 N +ATOM 3166 CA THR A 219 74.393 104.618 59.454 1.00 77.53 C +ATOM 3167 C THR A 219 74.131 104.051 58.061 1.00 78.53 C +ATOM 3168 O THR A 219 73.960 102.838 57.925 1.00 80.49 O +ATOM 3169 CB THR A 219 75.769 104.154 59.950 1.00 78.80 C +ATOM 3170 OG1 THR A 219 76.008 104.656 61.243 1.00 77.02 O +ATOM 3171 CG2 THR A 219 76.917 104.615 59.058 1.00 79.32 C +ATOM 3172 H THR A 219 73.537 103.498 61.074 1.00 88.44 H +ATOM 3173 HA THR A 219 74.416 105.705 59.387 1.00 93.04 H +ATOM 3174 HB THR A 219 75.784 103.066 59.999 1.00 94.56 H +ATOM 3175 HG1 THR A 219 75.531 104.068 61.830 1.00 92.43 H +ATOM 3176 HG21 THR A 219 77.866 104.364 59.527 1.00 95.18 H +ATOM 3177 HG22 THR A 219 76.870 104.105 58.097 1.00 95.18 H +ATOM 3178 HG23 THR A 219 76.867 105.691 58.903 1.00 95.18 H +ATOM 3179 N LYS A 220 74.161 104.896 57.023 1.00 81.58 N +ATOM 3180 CA LYS A 220 74.182 104.449 55.624 1.00 84.22 C +ATOM 3181 C LYS A 220 75.599 104.060 55.196 1.00 83.59 C +ATOM 3182 O LYS A 220 76.561 104.763 55.506 1.00 80.32 O +ATOM 3183 CB LYS A 220 73.576 105.514 54.698 1.00 88.32 C +ATOM 3184 CG LYS A 220 73.259 104.926 53.311 1.00 89.53 C +ATOM 3185 CD LYS A 220 72.500 105.906 52.404 1.00 97.97 C +ATOM 3186 CE LYS A 220 73.330 107.126 51.981 1.00101.32 C +ATOM 3187 NZ LYS A 220 74.325 106.794 50.930 1.00 99.75 N +ATOM 3188 H LYS A 220 74.284 105.880 57.208 1.00 97.90 H +ATOM 3189 HA LYS A 220 73.554 103.561 55.556 1.00101.06 H +ATOM 3190 HB2 LYS A 220 72.648 105.877 55.140 1.00105.98 H +ATOM 3191 HB3 LYS A 220 74.265 106.351 54.605 1.00105.98 H +ATOM 3192 HG2 LYS A 220 74.182 104.614 52.824 1.00107.43 H +ATOM 3193 HG3 LYS A 220 72.634 104.044 53.444 1.00107.43 H +ATOM 3194 HD2 LYS A 220 72.157 105.377 51.516 1.00117.57 H +ATOM 3195 HD3 LYS A 220 71.617 106.259 52.936 1.00117.57 H +ATOM 3196 HE2 LYS A 220 72.645 107.884 51.602 1.00121.59 H +ATOM 3197 HE3 LYS A 220 73.822 107.545 52.857 1.00121.59 H +ATOM 3198 HZ1 LYS A 220 74.853 107.611 50.666 1.00119.70 H +ATOM 3199 HZ2 LYS A 220 74.981 106.088 51.227 1.00119.70 H +ATOM 3200 HZ3 LYS A 220 73.870 106.442 50.103 1.00119.70 H +ATOM 3201 N VAL A 221 75.723 102.949 54.481 1.00 80.60 N +ATOM 3202 CA VAL A 221 76.985 102.362 54.012 1.00 80.62 C +ATOM 3203 C VAL A 221 76.822 101.935 52.552 1.00 81.14 C +ATOM 3204 O VAL A 221 75.787 101.381 52.187 1.00 78.45 O +ATOM 3205 CB VAL A 221 77.397 101.177 54.912 1.00 78.64 C +ATOM 3206 CG1 VAL A 221 78.751 100.595 54.495 1.00 83.06 C +ATOM 3207 CG2 VAL A 221 77.490 101.571 56.394 1.00 81.25 C +ATOM 3208 H VAL A 221 74.876 102.453 54.252 1.00 96.72 H +ATOM 3209 HA VAL A 221 77.773 103.113 54.058 1.00 96.74 H +ATOM 3210 HB VAL A 221 76.648 100.391 54.825 1.00 94.37 H +ATOM 3211 HG11 VAL A 221 79.037 99.798 55.177 1.00 99.67 H +ATOM 3212 HG12 VAL A 221 78.691 100.174 53.494 1.00 99.67 H +ATOM 3213 HG13 VAL A 221 79.516 101.368 54.518 1.00 99.67 H +ATOM 3214 HG21 VAL A 221 77.843 100.725 56.982 1.00 97.50 H +ATOM 3215 HG22 VAL A 221 78.182 102.402 56.518 1.00 97.50 H +ATOM 3216 HG23 VAL A 221 76.510 101.855 56.774 1.00 97.50 H +ATOM 3217 N ASP A 222 77.824 102.183 51.704 1.00 78.98 N +ATOM 3218 CA ASP A 222 77.708 102.000 50.251 1.00 80.09 C +ATOM 3219 C ASP A 222 79.014 101.546 49.575 1.00 75.33 C +ATOM 3220 O ASP A 222 80.102 101.915 50.020 1.00 69.80 O +ATOM 3221 CB ASP A 222 77.229 103.296 49.577 1.00 83.88 C +ATOM 3222 CG ASP A 222 76.102 104.028 50.311 1.00 89.72 C +ATOM 3223 OD1 ASP A 222 76.401 104.918 51.139 1.00 89.19 O +ATOM 3224 OD2 ASP A 222 74.919 103.807 49.977 1.00 92.52 O +ATOM 3225 H ASP A 222 78.671 102.607 52.052 1.00 94.78 H +ATOM 3226 HA ASP A 222 76.962 101.226 50.076 1.00 96.11 H +ATOM 3227 HB2 ASP A 222 78.074 103.973 49.490 1.00100.66 H +ATOM 3228 HB3 ASP A 222 76.907 103.060 48.566 1.00100.66 H +ATOM 3229 N LYS A 223 78.913 100.796 48.467 1.00 73.07 N +ATOM 3230 CA LYS A 223 80.056 100.368 47.625 1.00 73.46 C +ATOM 3231 C LYS A 223 79.656 100.248 46.146 1.00 77.04 C +ATOM 3232 O LYS A 223 78.610 99.682 45.850 1.00 76.22 O +ATOM 3233 CB LYS A 223 80.597 99.006 48.103 1.00 73.63 C +ATOM 3234 CG LYS A 223 81.209 98.929 49.511 1.00 72.26 C +ATOM 3235 CD LYS A 223 82.573 99.610 49.634 1.00 58.21 C +ATOM 3236 CE LYS A 223 83.107 99.327 51.038 1.00 56.18 C +ATOM 3237 NZ LYS A 223 84.466 99.877 51.230 1.00 53.37 N +ATOM 3238 H LYS A 223 77.982 100.553 48.164 1.00 87.68 H +ATOM 3239 HA LYS A 223 80.852 101.109 47.694 1.00 88.15 H +ATOM 3240 HB2 LYS A 223 79.779 98.288 48.064 1.00 88.36 H +ATOM 3241 HB3 LYS A 223 81.355 98.672 47.397 1.00 88.36 H +ATOM 3242 HG2 LYS A 223 80.517 99.340 50.245 1.00 86.72 H +ATOM 3243 HG3 LYS A 223 81.339 97.876 49.755 1.00 86.72 H +ATOM 3244 HD2 LYS A 223 83.253 99.194 48.893 1.00 69.85 H +ATOM 3245 HD3 LYS A 223 82.473 100.682 49.479 1.00 69.85 H +ATOM 3246 HE2 LYS A 223 82.423 99.760 51.766 1.00 67.41 H +ATOM 3247 HE3 LYS A 223 83.121 98.250 51.197 1.00 67.41 H +ATOM 3248 HZ1 LYS A 223 84.809 99.680 52.157 1.00 64.04 H +ATOM 3249 HZ2 LYS A 223 85.117 99.482 50.568 1.00 64.04 H +ATOM 3250 HZ3 LYS A 223 84.472 100.878 51.108 1.00 64.04 H +ATOM 3251 N ARG A 224 80.464 100.740 45.204 1.00 72.39 N +ATOM 3252 CA ARG A 224 80.159 100.760 43.754 1.00 73.43 C +ATOM 3253 C ARG A 224 80.575 99.500 42.984 1.00 74.84 C +ATOM 3254 O ARG A 224 81.437 98.748 43.430 1.00 72.87 O +ATOM 3255 CB ARG A 224 80.797 102.009 43.128 1.00 88.00 C +ATOM 3256 CG ARG A 224 79.916 103.236 43.367 1.00 93.18 C +ATOM 3257 CD ARG A 224 80.498 104.470 42.677 1.00100.29 C +ATOM 3258 NE ARG A 224 79.467 105.511 42.519 1.00108.56 N +ATOM 3259 CZ ARG A 224 78.692 105.710 41.471 1.00116.25 C +ATOM 3260 NH1 ARG A 224 77.805 106.655 41.499 1.00119.80 N +ATOM 3261 NH2 ARG A 224 78.773 104.993 40.388 1.00119.10 N +ATOM 3262 H ARG A 224 81.338 101.142 45.507 1.00 86.86 H +ATOM 3263 HA ARG A 224 79.080 100.831 43.621 1.00 88.12 H +ATOM 3264 HB2 ARG A 224 81.793 102.174 43.537 1.00105.60 H +ATOM 3265 HB3 ARG A 224 80.891 101.869 42.052 1.00105.60 H +ATOM 3266 HG2 ARG A 224 78.931 103.036 42.948 1.00111.82 H +ATOM 3267 HG3 ARG A 224 79.815 103.428 44.434 1.00111.82 H +ATOM 3268 HD2 ARG A 224 81.322 104.854 43.277 1.00120.34 H +ATOM 3269 HD3 ARG A 224 80.901 104.192 41.704 1.00120.34 H +ATOM 3270 HE ARG A 224 79.338 106.147 43.291 1.00130.27 H +ATOM 3271 HH11 ARG A 224 77.724 107.241 42.315 1.00143.76 H +ATOM 3272 HH12 ARG A 224 77.239 106.844 40.688 1.00143.76 H +ATOM 3273 HH21 ARG A 224 79.488 104.284 40.328 1.00142.92 H +ATOM 3274 HH22 ARG A 224 78.222 105.230 39.579 1.00142.92 H +ATOM 3275 N VAL A 225 79.986 99.307 41.800 1.00 75.61 N +ATOM 3276 CA VAL A 225 80.276 98.220 40.844 1.00 71.32 C +ATOM 3277 C VAL A 225 80.632 98.792 39.466 1.00 73.38 C +ATOM 3278 O VAL A 225 80.058 99.787 39.031 1.00 76.30 O +ATOM 3279 CB VAL A 225 79.088 97.243 40.766 1.00 73.53 C +ATOM 3280 CG1 VAL A 225 79.247 96.176 39.680 1.00 81.05 C +ATOM 3281 CG2 VAL A 225 78.914 96.512 42.101 1.00 89.96 C +ATOM 3282 H VAL A 225 79.275 99.965 41.517 1.00 90.73 H +ATOM 3283 HA VAL A 225 81.142 97.657 41.194 1.00 85.58 H +ATOM 3284 HB VAL A 225 78.178 97.802 40.555 1.00 88.24 H +ATOM 3285 HG11 VAL A 225 78.421 95.468 39.733 1.00 97.26 H +ATOM 3286 HG12 VAL A 225 79.228 96.634 38.693 1.00 97.26 H +ATOM 3287 HG13 VAL A 225 80.183 95.639 39.816 1.00 97.26 H +ATOM 3288 HG21 VAL A 225 78.083 95.811 42.035 1.00107.95 H +ATOM 3289 HG22 VAL A 225 79.818 95.962 42.350 1.00107.95 H +ATOM 3290 HG23 VAL A 225 78.694 97.222 42.895 1.00107.95 H +ATOM 3291 N GLU A 226 81.586 98.163 38.774 1.00 77.99 N +ATOM 3292 CA GLU A 226 82.212 98.634 37.524 1.00 87.05 C +ATOM 3293 C GLU A 226 82.490 97.464 36.554 1.00 81.78 C +ATOM 3294 O GLU A 226 82.639 96.329 37.015 1.00 85.29 O +ATOM 3295 CB GLU A 226 83.518 99.372 37.871 1.00 92.04 C +ATOM 3296 CG GLU A 226 83.243 100.675 38.640 1.00100.02 C +ATOM 3297 CD GLU A 226 84.424 101.656 38.653 1.00116.66 C +ATOM 3298 OE1 GLU A 226 85.569 101.261 38.363 1.00118.83 O +ATOM 3299 OE2 GLU A 226 84.209 102.845 38.974 1.00118.74 O +ATOM 3300 H GLU A 226 81.965 97.311 39.161 1.00 93.59 H +ATOM 3301 HA GLU A 226 81.541 99.330 37.021 1.00104.46 H +ATOM 3302 HB2 GLU A 226 84.161 98.725 38.466 1.00110.44 H +ATOM 3303 HB3 GLU A 226 84.044 99.612 36.948 1.00110.44 H +ATOM 3304 HG2 GLU A 226 82.394 101.173 38.175 1.00120.02 H +ATOM 3305 HG3 GLU A 226 82.971 100.432 39.666 1.00120.02 H +ATOM 3306 N PRO A 227 82.553 97.694 35.226 1.00 76.04 N +ATOM 3307 CA PRO A 227 82.712 96.628 34.229 1.00 72.18 C +ATOM 3308 C PRO A 227 84.042 95.871 34.356 1.00 80.33 C +ATOM 3309 O PRO A 227 85.101 96.523 34.433 1.00 81.26 O +ATOM 3310 CB PRO A 227 82.573 97.311 32.864 1.00 69.83 C +ATOM 3311 CG PRO A 227 82.976 98.756 33.136 1.00 76.90 C +ATOM 3312 CD PRO A 227 82.507 98.994 34.568 1.00 77.75 C +ATOM 3313 OXT PRO A 227 84.021 94.622 34.337 1.00 81.23 O +ATOM 3314 HA PRO A 227 81.904 95.906 34.343 1.00 86.62 H +ATOM 3315 HB2 PRO A 227 83.212 96.857 32.108 1.00 83.79 H +ATOM 3316 HB3 PRO A 227 81.534 97.275 32.539 1.00 83.79 H +ATOM 3317 HG2 PRO A 227 84.060 98.850 33.086 1.00 92.27 H +ATOM 3318 HG3 PRO A 227 82.501 99.445 32.439 1.00 92.27 H +ATOM 3319 HD2 PRO A 227 83.169 99.719 35.040 1.00 93.30 H +ATOM 3320 HD3 PRO A 227 81.490 99.381 34.568 1.00 93.30 H +TER 3321 PRO A 227 +ATOM 3322 N GLN B 1 85.006 50.409 74.446 1.00125.18 N +ATOM 3323 CA GLN B 1 83.693 50.235 73.782 1.00110.77 C +ATOM 3324 C GLN B 1 83.216 51.561 73.176 1.00101.01 C +ATOM 3325 O GLN B 1 82.972 52.528 73.893 1.00 87.56 O +ATOM 3326 CB GLN B 1 82.639 49.633 74.748 1.00108.69 C +ATOM 3327 CG GLN B 1 81.262 49.414 74.094 1.00 91.88 C +ATOM 3328 CD GLN B 1 80.223 48.796 75.031 1.00 96.63 C +ATOM 3329 OE1 GLN B 1 79.502 49.476 75.744 1.00 83.64 O +ATOM 3330 NE2 GLN B 1 80.059 47.493 74.998 1.00102.10 N +ATOM 3331 H1 GLN B 1 85.336 49.527 74.806 1.00150.21 H +ATOM 3332 H2 GLN B 1 85.690 50.762 73.796 1.00150.21 H +ATOM 3333 H3 GLN B 1 84.925 51.059 75.212 1.00150.21 H +ATOM 3334 HA GLN B 1 83.821 49.531 72.961 1.00132.93 H +ATOM 3335 HB2 GLN B 1 83.003 48.671 75.106 1.00130.42 H +ATOM 3336 HB3 GLN B 1 82.517 50.288 75.608 1.00130.42 H +ATOM 3337 HG2 GLN B 1 80.864 50.365 73.746 1.00110.25 H +ATOM 3338 HG3 GLN B 1 81.392 48.756 73.237 1.00110.25 H +ATOM 3339 HE21 GLN B 1 79.457 47.065 75.685 1.00122.52 H +ATOM 3340 HE22 GLN B 1 80.728 46.919 74.506 1.00122.52 H +ATOM 3341 N SER B 2 83.007 51.608 71.860 1.00 88.33 N +ATOM 3342 CA SER B 2 82.416 52.754 71.153 1.00 80.52 C +ATOM 3343 C SER B 2 81.670 52.268 69.910 1.00 76.89 C +ATOM 3344 O SER B 2 82.295 51.814 68.954 1.00 76.86 O +ATOM 3345 CB SER B 2 83.515 53.750 70.790 1.00 82.21 C +ATOM 3346 OG SER B 2 82.931 54.845 70.124 1.00 81.89 O +ATOM 3347 H SER B 2 83.270 50.812 71.299 1.00106.00 H +ATOM 3348 HA SER B 2 81.709 53.264 71.807 1.00 96.62 H +ATOM 3349 HB2 SER B 2 84.009 54.099 71.696 1.00 98.66 H +ATOM 3350 HB3 SER B 2 84.252 53.273 70.146 1.00 98.66 H +ATOM 3351 HG SER B 2 83.361 54.950 69.302 1.00 98.27 H +ATOM 3352 N VAL B 3 80.333 52.261 69.952 1.00 68.37 N +ATOM 3353 CA VAL B 3 79.544 51.290 69.162 1.00 68.55 C +ATOM 3354 C VAL B 3 78.383 51.849 68.348 1.00 65.74 C +ATOM 3355 O VAL B 3 78.036 51.241 67.338 1.00 66.96 O +ATOM 3356 CB VAL B 3 79.023 50.161 70.065 1.00 73.45 C +ATOM 3357 CG1 VAL B 3 80.194 49.387 70.662 1.00 81.75 C +ATOM 3358 CG2 VAL B 3 78.135 50.668 71.209 1.00 73.38 C +ATOM 3359 H VAL B 3 79.882 52.712 70.734 1.00 82.04 H +ATOM 3360 HA VAL B 3 80.190 50.817 68.424 1.00 82.26 H +ATOM 3361 HB VAL B 3 78.443 49.467 69.456 1.00 88.14 H +ATOM 3362 HG11 VAL B 3 79.836 48.580 71.300 1.00 98.10 H +ATOM 3363 HG12 VAL B 3 80.791 48.955 69.861 1.00 98.10 H +ATOM 3364 HG13 VAL B 3 80.825 50.039 71.263 1.00 98.10 H +ATOM 3365 HG21 VAL B 3 77.695 49.818 71.726 1.00 88.06 H +ATOM 3366 HG22 VAL B 3 78.713 51.244 71.928 1.00 88.06 H +ATOM 3367 HG23 VAL B 3 77.316 51.277 70.829 1.00 88.06 H +ATOM 3368 N LEU B 4 77.755 52.962 68.738 1.00 66.73 N +ATOM 3369 CA LEU B 4 76.712 53.578 67.917 1.00 62.83 C +ATOM 3370 C LEU B 4 77.323 54.411 66.781 1.00 62.09 C +ATOM 3371 O LEU B 4 78.455 54.869 66.877 1.00 60.25 O +ATOM 3372 CB LEU B 4 75.690 54.304 68.813 1.00 66.52 C +ATOM 3373 CG LEU B 4 74.411 54.785 68.084 1.00 67.29 C +ATOM 3374 CD1 LEU B 4 73.175 54.645 68.966 1.00 74.04 C +ATOM 3375 CD2 LEU B 4 74.453 56.257 67.686 1.00 60.70 C +ATOM 3376 H LEU B 4 78.087 53.466 69.546 1.00 80.08 H +ATOM 3377 HA LEU B 4 76.167 52.772 67.426 1.00 75.39 H +ATOM 3378 HB2 LEU B 4 75.386 53.587 69.576 1.00 79.83 H +ATOM 3379 HB3 LEU B 4 76.157 55.138 69.335 1.00 79.83 H +ATOM 3380 HG LEU B 4 74.257 54.186 67.187 1.00 80.74 H +ATOM 3381 HD11 LEU B 4 72.289 54.982 68.431 1.00 88.85 H +ATOM 3382 HD12 LEU B 4 73.037 53.598 69.227 1.00 88.85 H +ATOM 3383 HD13 LEU B 4 73.291 55.227 69.877 1.00 88.85 H +ATOM 3384 HD21 LEU B 4 73.581 56.469 67.070 1.00 72.84 H +ATOM 3385 HD22 LEU B 4 74.437 56.884 68.576 1.00 72.84 H +ATOM 3386 HD23 LEU B 4 75.357 56.465 67.115 1.00 72.84 H +ATOM 3387 N THR B 5 76.568 54.575 65.698 1.00 65.70 N +ATOM 3388 CA THR B 5 76.847 55.446 64.549 1.00 60.13 C +ATOM 3389 C THR B 5 75.506 55.923 63.975 1.00 53.49 C +ATOM 3390 O THR B 5 74.505 55.226 64.138 1.00 53.86 O +ATOM 3391 CB THR B 5 77.665 54.733 63.454 1.00 63.88 C +ATOM 3392 OG1 THR B 5 77.000 53.574 63.024 1.00 61.37 O +ATOM 3393 CG2 THR B 5 79.073 54.313 63.865 1.00 61.57 C +ATOM 3394 H THR B 5 75.663 54.126 65.690 1.00 78.84 H +ATOM 3395 HA THR B 5 77.410 56.314 64.890 1.00 72.15 H +ATOM 3396 HB THR B 5 77.755 55.412 62.606 1.00 76.65 H +ATOM 3397 HG1 THR B 5 77.060 52.940 63.741 1.00 73.65 H +ATOM 3398 HG21 THR B 5 79.605 53.932 62.995 1.00 73.89 H +ATOM 3399 HG22 THR B 5 79.613 55.174 64.256 1.00 73.89 H +ATOM 3400 HG23 THR B 5 79.039 53.534 64.627 1.00 73.89 H +ATOM 3401 N GLN B 6 75.459 57.085 63.314 1.00 47.92 N +ATOM 3402 CA GLN B 6 74.210 57.704 62.830 1.00 40.46 C +ATOM 3403 C GLN B 6 74.263 57.974 61.309 1.00 37.53 C +ATOM 3404 O GLN B 6 74.436 59.118 60.893 1.00 39.31 O +ATOM 3405 CB GLN B 6 73.906 58.959 63.674 1.00 40.87 C +ATOM 3406 CG GLN B 6 73.688 58.587 65.154 1.00 51.96 C +ATOM 3407 CD GLN B 6 73.425 59.755 66.104 1.00 52.60 C +ATOM 3408 OE1 GLN B 6 73.555 60.921 65.780 1.00 43.75 O +ATOM 3409 NE2 GLN B 6 73.085 59.484 67.346 1.00 40.80 N +ATOM 3410 H GLN B 6 76.315 57.602 63.176 1.00 57.50 H +ATOM 3411 HA GLN B 6 73.378 57.019 62.988 1.00 48.55 H +ATOM 3412 HB2 GLN B 6 74.731 59.664 63.590 1.00 49.04 H +ATOM 3413 HB3 GLN B 6 73.002 59.436 63.297 1.00 49.04 H +ATOM 3414 HG2 GLN B 6 72.847 57.897 65.216 1.00 62.36 H +ATOM 3415 HG3 GLN B 6 74.573 58.073 65.528 1.00 62.36 H +ATOM 3416 HE21 GLN B 6 72.932 60.253 67.981 1.00 48.96 H +ATOM 3417 HE22 GLN B 6 72.960 58.532 67.657 1.00 48.96 H +ATOM 3418 N PRO B 7 74.195 56.928 60.461 1.00 41.15 N +ATOM 3419 CA PRO B 7 74.512 57.014 59.027 1.00 44.66 C +ATOM 3420 C PRO B 7 73.400 57.267 57.968 1.00 45.95 C +ATOM 3421 O PRO B 7 73.765 57.616 56.843 1.00 47.74 O +ATOM 3422 CB PRO B 7 75.131 55.645 58.732 1.00 49.99 C +ATOM 3423 CG PRO B 7 74.307 54.705 59.605 1.00 49.86 C +ATOM 3424 CD PRO B 7 74.174 55.530 60.876 1.00 47.99 C +ATOM 3425 HA PRO B 7 75.280 57.771 58.872 1.00 53.59 H +ATOM 3426 HB2 PRO B 7 75.073 55.367 57.680 1.00 59.99 H +ATOM 3427 HB3 PRO B 7 76.169 55.635 59.064 1.00 59.99 H +ATOM 3428 HG2 PRO B 7 73.330 54.530 59.156 1.00 59.83 H +ATOM 3429 HG3 PRO B 7 74.825 53.764 59.789 1.00 59.83 H +ATOM 3430 HD2 PRO B 7 73.264 55.283 61.420 1.00 57.59 H +ATOM 3431 HD3 PRO B 7 75.046 55.315 61.494 1.00 57.59 H +ATOM 3432 N PRO B 8 72.084 57.069 58.182 1.00 42.76 N +ATOM 3433 CA PRO B 8 71.180 56.704 57.080 1.00 36.96 C +ATOM 3434 C PRO B 8 70.902 57.789 56.030 1.00 33.47 C +ATOM 3435 O PRO B 8 70.732 57.463 54.861 1.00 36.57 O +ATOM 3436 CB PRO B 8 69.897 56.203 57.743 1.00 39.45 C +ATOM 3437 CG PRO B 8 69.928 56.839 59.126 1.00 47.89 C +ATOM 3438 CD PRO B 8 71.406 56.941 59.452 1.00 45.02 C +ATOM 3439 HA PRO B 8 71.621 55.863 56.547 1.00 44.35 H +ATOM 3440 HB2 PRO B 8 69.004 56.490 57.190 1.00 47.34 H +ATOM 3441 HB3 PRO B 8 69.947 55.119 57.838 1.00 47.34 H +ATOM 3442 HG2 PRO B 8 69.492 57.836 59.077 1.00 57.47 H +ATOM 3443 HG3 PRO B 8 69.416 56.232 59.871 1.00 57.47 H +ATOM 3444 HD2 PRO B 8 71.593 57.798 60.096 1.00 54.02 H +ATOM 3445 HD3 PRO B 8 71.721 56.021 59.942 1.00 54.02 H +ATOM 3446 N SER B 9 70.910 59.069 56.405 1.00 37.05 N +ATOM 3447 CA SER B 9 70.994 60.222 55.478 1.00 42.08 C +ATOM 3448 C SER B 9 69.921 60.314 54.369 1.00 37.85 C +ATOM 3449 O SER B 9 70.182 60.800 53.269 1.00 42.61 O +ATOM 3450 CB SER B 9 72.408 60.297 54.888 1.00 52.43 C +ATOM 3451 OG SER B 9 73.393 60.227 55.904 1.00 53.15 O +ATOM 3452 H SER B 9 71.080 59.253 57.382 1.00 44.46 H +ATOM 3453 HA SER B 9 70.859 61.123 56.076 1.00 50.50 H +ATOM 3454 HB2 SER B 9 72.556 59.476 54.188 1.00 62.92 H +ATOM 3455 HB3 SER B 9 72.524 61.237 54.350 1.00 62.92 H +ATOM 3456 HG SER B 9 73.507 59.305 56.140 1.00 63.78 H +ATOM 3457 N ALA B 10 68.718 59.807 54.620 1.00 34.50 N +ATOM 3458 CA ALA B 10 67.699 59.613 53.593 1.00 37.72 C +ATOM 3459 C ALA B 10 66.967 60.894 53.146 1.00 34.13 C +ATOM 3460 O ALA B 10 66.889 61.891 53.860 1.00 33.57 O +ATOM 3461 CB ALA B 10 66.711 58.572 54.124 1.00 42.24 C +ATOM 3462 H ALA B 10 68.548 59.420 55.535 1.00 41.40 H +ATOM 3463 HA ALA B 10 68.179 59.193 52.710 1.00 45.27 H +ATOM 3464 HB1 ALA B 10 65.970 58.343 53.359 1.00 50.69 H +ATOM 3465 HB2 ALA B 10 67.239 57.656 54.382 1.00 50.69 H +ATOM 3466 HB3 ALA B 10 66.206 58.959 55.008 1.00 50.69 H +ATOM 3467 N SER B 11 66.322 60.830 51.982 1.00 36.59 N +ATOM 3468 CA SER B 11 65.253 61.754 51.582 1.00 35.73 C +ATOM 3469 C SER B 11 64.317 61.085 50.576 1.00 35.03 C +ATOM 3470 O SER B 11 64.773 60.316 49.734 1.00 38.26 O +ATOM 3471 CB SER B 11 65.844 63.037 50.997 1.00 32.56 C +ATOM 3472 OG SER B 11 66.685 62.755 49.894 1.00 34.49 O +ATOM 3473 H SER B 11 66.447 60.004 51.419 1.00 43.91 H +ATOM 3474 HA SER B 11 64.668 62.014 52.464 1.00 42.88 H +ATOM 3475 HB2 SER B 11 65.038 63.701 50.688 1.00 39.08 H +ATOM 3476 HB3 SER B 11 66.424 63.548 51.763 1.00 39.08 H +ATOM 3477 HG SER B 11 66.273 62.087 49.348 1.00 41.39 H +ATOM 3478 N GLY B 12 63.027 61.400 50.616 1.00 34.15 N +ATOM 3479 CA GLY B 12 62.004 60.746 49.794 1.00 37.64 C +ATOM 3480 C GLY B 12 60.792 61.641 49.577 1.00 41.63 C +ATOM 3481 O GLY B 12 60.538 62.536 50.375 1.00 44.74 O +ATOM 3482 H GLY B 12 62.713 62.078 51.294 1.00 40.98 H +ATOM 3483 HA2 GLY B 12 62.414 60.473 48.823 1.00 45.17 H +ATOM 3484 HA3 GLY B 12 61.668 59.835 50.287 1.00 45.17 H +ATOM 3485 N ALA B 13 60.057 61.469 48.487 1.00 38.54 N +ATOM 3486 CA ALA B 13 58.880 62.283 48.215 1.00 37.42 C +ATOM 3487 C ALA B 13 57.786 62.093 49.289 1.00 38.37 C +ATOM 3488 O ALA B 13 57.773 61.074 49.984 1.00 41.62 O +ATOM 3489 CB ALA B 13 58.382 61.951 46.807 1.00 43.25 C +ATOM 3490 H ALA B 13 60.250 60.674 47.896 1.00 46.25 H +ATOM 3491 HA ALA B 13 59.191 63.327 48.223 1.00 44.91 H +ATOM 3492 HB1 ALA B 13 57.618 62.661 46.496 1.00 51.90 H +ATOM 3493 HB2 ALA B 13 59.206 62.003 46.098 1.00 51.90 H +ATOM 3494 HB3 ALA B 13 57.947 60.954 46.789 1.00 51.90 H +ATOM 3495 N PRO B 14 56.840 63.040 49.423 1.00 38.89 N +ATOM 3496 CA PRO B 14 55.695 62.917 50.323 1.00 44.00 C +ATOM 3497 C PRO B 14 54.977 61.567 50.216 1.00 45.51 C +ATOM 3498 O PRO B 14 54.829 61.014 49.126 1.00 48.02 O +ATOM 3499 CB PRO B 14 54.754 64.064 49.945 1.00 48.26 C +ATOM 3500 CG PRO B 14 55.680 65.130 49.369 1.00 46.46 C +ATOM 3501 CD PRO B 14 56.808 64.323 48.734 1.00 40.82 C +ATOM 3502 HA PRO B 14 56.042 63.061 51.346 1.00 52.80 H +ATOM 3503 HB2 PRO B 14 54.063 63.740 49.168 1.00 57.91 H +ATOM 3504 HB3 PRO B 14 54.205 64.435 50.809 1.00 57.91 H +ATOM 3505 HG2 PRO B 14 55.170 65.750 48.632 1.00 55.75 H +ATOM 3506 HG3 PRO B 14 56.068 65.752 50.175 1.00 55.75 H +ATOM 3507 HD2 PRO B 14 56.588 64.174 47.678 1.00 48.99 H +ATOM 3508 HD3 PRO B 14 57.750 64.855 48.858 1.00 48.99 H +ATOM 3509 N GLY B 15 54.516 61.030 51.345 1.00 47.61 N +ATOM 3510 CA GLY B 15 53.780 59.765 51.409 1.00 47.34 C +ATOM 3511 C GLY B 15 54.621 58.484 51.277 1.00 48.46 C +ATOM 3512 O GLY B 15 54.106 57.410 51.584 1.00 52.66 O +ATOM 3513 H GLY B 15 54.626 61.548 52.204 1.00 57.14 H +ATOM 3514 HA2 GLY B 15 53.243 59.727 52.356 1.00 56.81 H +ATOM 3515 HA3 GLY B 15 53.039 59.752 50.611 1.00 56.81 H +ATOM 3516 N GLN B 16 55.891 58.551 50.860 1.00 45.40 N +ATOM 3517 CA GLN B 16 56.750 57.367 50.683 1.00 45.30 C +ATOM 3518 C GLN B 16 57.078 56.635 52.002 1.00 51.17 C +ATOM 3519 O GLN B 16 56.823 57.138 53.101 1.00 56.18 O +ATOM 3520 CB GLN B 16 58.050 57.773 49.966 1.00 49.27 C +ATOM 3521 CG GLN B 16 57.833 58.151 48.493 1.00 57.22 C +ATOM 3522 CD GLN B 16 59.133 58.460 47.749 1.00 64.07 C +ATOM 3523 OE1 GLN B 16 60.199 58.650 48.316 1.00 56.79 O +ATOM 3524 NE2 GLN B 16 59.104 58.547 46.440 1.00 71.06 N +ATOM 3525 H GLN B 16 56.273 59.453 50.620 1.00 54.48 H +ATOM 3526 HA GLN B 16 56.226 56.652 50.049 1.00 54.35 H +ATOM 3527 HB2 GLN B 16 58.517 58.600 50.500 1.00 59.13 H +ATOM 3528 HB3 GLN B 16 58.744 56.933 49.982 1.00 59.13 H +ATOM 3529 HG2 GLN B 16 57.344 57.318 47.990 1.00 68.66 H +ATOM 3530 HG3 GLN B 16 57.175 59.017 48.422 1.00 68.66 H +ATOM 3531 HE21 GLN B 16 59.968 58.709 45.946 1.00 85.27 H +ATOM 3532 HE22 GLN B 16 58.248 58.375 45.935 1.00 85.27 H +ATOM 3533 N ARG B 17 57.680 55.441 51.890 1.00 51.89 N +ATOM 3534 CA ARG B 17 58.379 54.753 52.992 1.00 55.97 C +ATOM 3535 C ARG B 17 59.879 55.048 53.012 1.00 43.92 C +ATOM 3536 O ARG B 17 60.490 55.222 51.960 1.00 42.44 O +ATOM 3537 CB ARG B 17 58.203 53.228 52.931 1.00 65.36 C +ATOM 3538 CG ARG B 17 56.745 52.765 52.989 1.00 72.31 C +ATOM 3539 CD ARG B 17 56.637 51.281 53.361 1.00 84.48 C +ATOM 3540 NE ARG B 17 57.298 50.397 52.383 1.00 91.26 N +ATOM 3541 CZ ARG B 17 57.303 49.078 52.411 1.00104.44 C +ATOM 3542 NH1 ARG B 17 57.913 48.401 51.489 1.00103.63 N +ATOM 3543 NH2 ARG B 17 56.706 48.402 53.347 1.00107.19 N +ATOM 3544 H ARG B 17 57.833 55.087 50.958 1.00 62.27 H +ATOM 3545 HA ARG B 17 57.964 55.122 53.930 1.00 67.16 H +ATOM 3546 HB2 ARG B 17 58.663 52.849 52.019 1.00 78.43 H +ATOM 3547 HB3 ARG B 17 58.732 52.795 53.779 1.00 78.43 H +ATOM 3548 HG2 ARG B 17 56.216 53.340 53.746 1.00 86.77 H +ATOM 3549 HG3 ARG B 17 56.264 52.936 52.027 1.00 86.77 H +ATOM 3550 HD2 ARG B 17 57.083 51.134 54.343 1.00101.37 H +ATOM 3551 HD3 ARG B 17 55.581 51.021 53.423 1.00101.37 H +ATOM 3552 HE ARG B 17 57.781 50.830 51.611 1.00109.51 H +ATOM 3553 HH11 ARG B 17 58.385 48.882 50.740 1.00124.36 H +ATOM 3554 HH12 ARG B 17 57.910 47.395 51.518 1.00124.36 H +ATOM 3555 HH21 ARG B 17 56.226 48.897 54.081 1.00128.63 H +ATOM 3556 HH22 ARG B 17 56.728 47.394 53.340 1.00128.63 H +ATOM 3557 N VAL B 18 60.482 55.022 54.199 1.00 38.15 N +ATOM 3558 CA VAL B 18 61.935 55.133 54.394 1.00 31.59 C +ATOM 3559 C VAL B 18 62.387 54.249 55.556 1.00 32.77 C +ATOM 3560 O VAL B 18 61.708 54.175 56.578 1.00 37.88 O +ATOM 3561 CB VAL B 18 62.332 56.599 54.636 1.00 40.38 C +ATOM 3562 CG1 VAL B 18 63.831 56.748 54.890 1.00 45.87 C +ATOM 3563 CG2 VAL B 18 62.011 57.513 53.450 1.00 39.76 C +ATOM 3564 H VAL B 18 59.913 54.825 55.008 1.00 45.78 H +ATOM 3565 HA VAL B 18 62.448 54.790 53.495 1.00 37.91 H +ATOM 3566 HB VAL B 18 61.800 56.968 55.512 1.00 48.46 H +ATOM 3567 HG11 VAL B 18 64.069 57.803 55.024 1.00 55.05 H +ATOM 3568 HG12 VAL B 18 64.125 56.234 55.804 1.00 55.05 H +ATOM 3569 HG13 VAL B 18 64.400 56.353 54.048 1.00 55.05 H +ATOM 3570 HG21 VAL B 18 62.326 58.533 53.668 1.00 47.71 H +ATOM 3571 HG22 VAL B 18 62.524 57.164 52.556 1.00 47.71 H +ATOM 3572 HG23 VAL B 18 60.939 57.534 53.259 1.00 47.71 H +ATOM 3573 N THR B 19 63.561 53.632 55.434 1.00 28.07 N +ATOM 3574 CA THR B 19 64.243 52.886 56.505 1.00 30.06 C +ATOM 3575 C THR B 19 65.445 53.672 57.020 1.00 33.29 C +ATOM 3576 O THR B 19 66.228 54.204 56.235 1.00 32.36 O +ATOM 3577 CB THR B 19 64.676 51.496 56.021 1.00 34.06 C +ATOM 3578 OG1 THR B 19 63.532 50.733 55.704 1.00 42.75 O +ATOM 3579 CG2 THR B 19 65.474 50.690 57.047 1.00 34.33 C +ATOM 3580 H THR B 19 64.061 53.744 54.564 1.00 33.68 H +ATOM 3581 HA THR B 19 63.557 52.743 57.340 1.00 36.07 H +ATOM 3582 HB THR B 19 65.282 51.609 55.122 1.00 40.88 H +ATOM 3583 HG1 THR B 19 63.155 50.413 56.516 1.00 51.30 H +ATOM 3584 HG21 THR B 19 65.628 49.677 56.680 1.00 41.20 H +ATOM 3585 HG22 THR B 19 66.453 51.143 57.197 1.00 41.20 H +ATOM 3586 HG23 THR B 19 64.946 50.656 57.998 1.00 41.20 H +ATOM 3587 N ILE B 20 65.574 53.765 58.343 1.00 34.84 N +ATOM 3588 CA ILE B 20 66.516 54.626 59.065 1.00 30.21 C +ATOM 3589 C ILE B 20 67.186 53.772 60.156 1.00 30.73 C +ATOM 3590 O ILE B 20 66.484 53.102 60.911 1.00 34.18 O +ATOM 3591 CB ILE B 20 65.735 55.821 59.671 1.00 32.42 C +ATOM 3592 CG1 ILE B 20 64.810 56.550 58.663 1.00 32.66 C +ATOM 3593 CG2 ILE B 20 66.712 56.830 60.276 1.00 39.66 C +ATOM 3594 CD1 ILE B 20 63.925 57.646 59.271 1.00 31.74 C +ATOM 3595 H ILE B 20 64.922 53.255 58.922 1.00 41.80 H +ATOM 3596 HA ILE B 20 67.276 55.003 58.381 1.00 36.25 H +ATOM 3597 HB ILE B 20 65.105 55.436 60.472 1.00 38.91 H +ATOM 3598 HG12 ILE B 20 65.412 56.982 57.864 1.00 39.20 H +ATOM 3599 HG13 ILE B 20 64.122 55.832 58.219 1.00 39.20 H +ATOM 3600 HG21 ILE B 20 66.172 57.594 60.834 1.00 47.59 H +ATOM 3601 HG22 ILE B 20 67.393 56.344 60.972 1.00 47.59 H +ATOM 3602 HG23 ILE B 20 67.265 57.325 59.479 1.00 47.59 H +ATOM 3603 HD11 ILE B 20 63.220 57.996 58.520 1.00 38.09 H +ATOM 3604 HD12 ILE B 20 63.368 57.251 60.118 1.00 38.09 H +ATOM 3605 HD13 ILE B 20 64.527 58.493 59.595 1.00 38.09 H +ATOM 3606 N SER B 21 68.516 53.740 60.269 1.00 29.42 N +ATOM 3607 CA SER B 21 69.184 52.755 61.142 1.00 33.78 C +ATOM 3608 C SER B 21 70.557 53.174 61.660 1.00 34.97 C +ATOM 3609 O SER B 21 71.270 53.913 60.995 1.00 38.88 O +ATOM 3610 CB SER B 21 69.272 51.408 60.410 1.00 44.75 C +ATOM 3611 OG SER B 21 69.851 51.535 59.122 1.00 51.52 O +ATOM 3612 H SER B 21 69.091 54.278 59.640 1.00 35.30 H +ATOM 3613 HA SER B 21 68.571 52.605 62.030 1.00 40.53 H +ATOM 3614 HB2 SER B 21 69.843 50.699 61.006 1.00 53.70 H +ATOM 3615 HB3 SER B 21 68.265 51.011 60.293 1.00 53.70 H +ATOM 3616 HG SER B 21 70.786 51.690 59.215 1.00 61.82 H +ATOM 3617 N CYS B 22 70.941 52.635 62.821 1.00 39.51 N +ATOM 3618 CA CYS B 22 72.116 53.007 63.615 1.00 45.08 C +ATOM 3619 C CYS B 22 72.775 51.775 64.270 1.00 51.27 C +ATOM 3620 O CYS B 22 72.094 50.834 64.673 1.00 48.94 O +ATOM 3621 CB CYS B 22 71.650 53.984 64.698 1.00 50.46 C +ATOM 3622 SG CYS B 22 70.890 55.431 63.923 1.00 61.78 S +ATOM 3623 H CYS B 22 70.306 51.993 63.273 1.00 47.41 H +ATOM 3624 HA CYS B 22 72.852 53.504 62.984 1.00 54.10 H +ATOM 3625 HB2 CYS B 22 70.918 53.490 65.336 1.00 60.55 H +ATOM 3626 HB3 CYS B 22 72.491 54.300 65.315 1.00 60.55 H +ATOM 3627 HG CYS B 22 70.115 55.792 64.933 1.00 74.14 H +ATOM 3628 N SER B 23 74.101 51.749 64.413 1.00 53.69 N +ATOM 3629 CA SER B 23 74.800 50.594 65.013 1.00 59.96 C +ATOM 3630 C SER B 23 74.705 50.574 66.544 1.00 59.49 C +ATOM 3631 O SER B 23 74.245 51.534 67.151 1.00 57.73 O +ATOM 3632 CB SER B 23 76.256 50.581 64.546 1.00 66.23 C +ATOM 3633 OG SER B 23 76.931 51.731 65.008 1.00 62.83 O +ATOM 3634 H SER B 23 74.645 52.538 64.097 1.00 64.43 H +ATOM 3635 HA SER B 23 74.345 49.676 64.642 1.00 71.96 H +ATOM 3636 HB2 SER B 23 76.760 49.688 64.913 1.00 79.47 H +ATOM 3637 HB3 SER B 23 76.280 50.566 63.457 1.00 79.47 H +ATOM 3638 HG SER B 23 77.375 51.501 65.826 1.00 75.39 H +ATOM 3639 N GLY B 24 75.168 49.504 67.194 1.00 63.12 N +ATOM 3640 CA GLY B 24 75.349 49.450 68.652 1.00 67.96 C +ATOM 3641 C GLY B 24 75.901 48.112 69.157 1.00 67.33 C +ATOM 3642 O GLY B 24 76.479 47.349 68.390 1.00 66.81 O +ATOM 3643 H GLY B 24 75.467 48.699 66.664 1.00 75.75 H +ATOM 3644 HA2 GLY B 24 76.041 50.233 68.955 1.00 81.55 H +ATOM 3645 HA3 GLY B 24 74.401 49.654 69.149 1.00 81.55 H +ATOM 3646 N SER B 25 75.740 47.816 70.450 1.00 71.81 N +ATOM 3647 CA SER B 25 76.254 46.580 71.072 1.00 74.78 C +ATOM 3648 C SER B 25 75.395 46.055 72.220 1.00 84.13 C +ATOM 3649 O SER B 25 74.648 46.798 72.860 1.00 77.09 O +ATOM 3650 CB SER B 25 77.681 46.780 71.577 1.00 82.73 C +ATOM 3651 OG SER B 25 77.689 47.539 72.785 1.00 82.71 O +ATOM 3652 H SER B 25 75.256 48.467 71.051 1.00 86.18 H +ATOM 3653 HA SER B 25 76.283 45.798 70.314 1.00 89.73 H +ATOM 3654 HB2 SER B 25 78.127 45.804 71.764 1.00 99.28 H +ATOM 3655 HB3 SER B 25 78.262 47.272 70.798 1.00 99.28 H +ATOM 3656 HG SER B 25 78.491 47.332 73.268 1.00 99.25 H +ATOM 3657 N ASN B 26 75.541 44.761 72.503 1.00 80.44 N +ATOM 3658 CA ASN B 26 74.662 43.982 73.376 1.00 81.62 C +ATOM 3659 C ASN B 26 74.794 44.288 74.882 1.00 82.43 C +ATOM 3660 O ASN B 26 73.875 43.981 75.638 1.00 77.39 O +ATOM 3661 CB ASN B 26 74.874 42.498 73.040 1.00 84.64 C +ATOM 3662 CG ASN B 26 74.642 42.214 71.562 1.00 81.66 C +ATOM 3663 OD1 ASN B 26 73.592 42.492 71.006 1.00 80.44 O +ATOM 3664 ND2 ASN B 26 75.626 41.702 70.862 1.00 79.54 N +ATOM 3665 H ASN B 26 76.219 44.241 71.966 1.00 96.52 H +ATOM 3666 HA ASN B 26 73.634 44.230 73.115 1.00 97.94 H +ATOM 3667 HB2 ASN B 26 75.885 42.203 73.319 1.00101.57 H +ATOM 3668 HB3 ASN B 26 74.178 41.889 73.616 1.00101.57 H +ATOM 3669 HD21 ASN B 26 75.460 41.485 69.891 1.00 95.45 H +ATOM 3670 HD22 ASN B 26 76.485 41.428 71.315 1.00 95.45 H +ATOM 3671 N SER B 27 75.853 44.979 75.326 1.00 83.23 N +ATOM 3672 CA SER B 27 75.892 45.601 76.668 1.00 77.99 C +ATOM 3673 C SER B 27 74.787 46.644 76.842 1.00 66.56 C +ATOM 3674 O SER B 27 74.362 46.946 77.954 1.00 65.69 O +ATOM 3675 CB SER B 27 77.208 46.357 76.908 1.00 85.27 C +ATOM 3676 OG SER B 27 78.346 45.602 76.546 1.00 91.55 O +ATOM 3677 H SER B 27 76.625 45.143 74.697 1.00 99.87 H +ATOM 3678 HA SER B 27 75.772 44.835 77.433 1.00 93.59 H +ATOM 3679 HB2 SER B 27 77.204 47.270 76.313 1.00102.32 H +ATOM 3680 HB3 SER B 27 77.274 46.640 77.958 1.00102.32 H +ATOM 3681 HG SER B 27 78.436 44.879 77.165 1.00109.86 H +ATOM 3682 N ASN B 28 74.358 47.222 75.723 1.00 63.00 N +ATOM 3683 CA ASN B 28 73.555 48.422 75.673 1.00 64.71 C +ATOM 3684 C ASN B 28 72.182 48.118 75.081 1.00 63.16 C +ATOM 3685 O ASN B 28 71.190 48.162 75.799 1.00 61.62 O +ATOM 3686 CB ASN B 28 74.360 49.494 74.921 1.00 66.30 C +ATOM 3687 CG ASN B 28 75.717 49.699 75.565 1.00 68.68 C +ATOM 3688 OD1 ASN B 28 75.824 49.992 76.743 1.00 70.90 O +ATOM 3689 ND2 ASN B 28 76.789 49.491 74.839 1.00 71.46 N +ATOM 3690 H ASN B 28 74.738 46.889 74.849 1.00 75.60 H +ATOM 3691 HA ASN B 28 73.380 48.790 76.684 1.00 77.65 H +ATOM 3692 HB2 ASN B 28 74.491 49.212 73.877 1.00 79.56 H +ATOM 3693 HB3 ASN B 28 73.824 50.442 74.948 1.00 79.56 H +ATOM 3694 HD21 ASN B 28 77.682 49.587 75.298 1.00 85.75 H +ATOM 3695 HD22 ASN B 28 76.719 49.180 73.882 1.00 85.75 H +ATOM 3696 N ILE B 29 72.102 47.746 73.805 1.00 62.05 N +ATOM 3697 CA ILE B 29 70.828 47.673 73.073 1.00 67.33 C +ATOM 3698 C ILE B 29 69.826 46.727 73.741 1.00 69.15 C +ATOM 3699 O ILE B 29 68.648 47.064 73.853 1.00 67.40 O +ATOM 3700 CB ILE B 29 71.089 47.332 71.588 1.00 79.03 C +ATOM 3701 CG1 ILE B 29 71.666 48.592 70.909 1.00 73.41 C +ATOM 3702 CG2 ILE B 29 69.819 46.838 70.869 1.00 74.46 C +ATOM 3703 CD1 ILE B 29 71.922 48.450 69.406 1.00 71.82 C +ATOM 3704 H ILE B 29 72.962 47.631 73.288 1.00 74.46 H +ATOM 3705 HA ILE B 29 70.360 48.657 73.111 1.00 80.80 H +ATOM 3706 HB ILE B 29 71.825 46.533 71.531 1.00 94.84 H +ATOM 3707 HG12 ILE B 29 70.973 49.418 71.048 1.00 88.09 H +ATOM 3708 HG13 ILE B 29 72.606 48.862 71.387 1.00 88.09 H +ATOM 3709 HG21 ILE B 29 70.042 46.559 69.841 1.00 89.35 H +ATOM 3710 HG22 ILE B 29 69.433 45.938 71.341 1.00 89.35 H +ATOM 3711 HG23 ILE B 29 69.055 47.612 70.879 1.00 89.35 H +ATOM 3712 HD11 ILE B 29 72.308 49.389 69.015 1.00 86.18 H +ATOM 3713 HD12 ILE B 29 72.629 47.646 69.213 1.00 86.18 H +ATOM 3714 HD13 ILE B 29 70.983 48.260 68.889 1.00 86.18 H +ATOM 3715 N GLY B 30 70.273 45.587 74.269 1.00 72.44 N +ATOM 3716 CA GLY B 30 69.381 44.641 74.952 1.00 73.08 C +ATOM 3717 C GLY B 30 68.649 45.243 76.155 1.00 66.91 C +ATOM 3718 O GLY B 30 67.570 44.785 76.521 1.00 69.31 O +ATOM 3719 H GLY B 30 71.247 45.348 74.158 1.00 86.93 H +ATOM 3720 HA2 GLY B 30 68.643 44.264 74.245 1.00 87.70 H +ATOM 3721 HA3 GLY B 30 69.973 43.800 75.310 1.00 87.70 H +ATOM 3722 N THR B 31 69.200 46.309 76.738 1.00 64.36 N +ATOM 3723 CA THR B 31 68.645 47.005 77.904 1.00 68.00 C +ATOM 3724 C THR B 31 67.540 48.022 77.579 1.00 66.09 C +ATOM 3725 O THR B 31 66.923 48.529 78.517 1.00 58.06 O +ATOM 3726 CB THR B 31 69.746 47.668 78.751 1.00 65.24 C +ATOM 3727 OG1 THR B 31 70.252 48.833 78.169 1.00 64.58 O +ATOM 3728 CG2 THR B 31 70.938 46.750 79.025 1.00 64.88 C +ATOM 3729 H THR B 31 70.044 46.686 76.333 1.00 77.23 H +ATOM 3730 HA THR B 31 68.186 46.250 78.541 1.00 81.61 H +ATOM 3731 HB THR B 31 69.299 47.960 79.701 1.00 78.29 H +ATOM 3732 HG1 THR B 31 70.582 48.612 77.296 1.00 77.50 H +ATOM 3733 HG21 THR B 31 71.607 47.227 79.739 1.00 77.86 H +ATOM 3734 HG22 THR B 31 70.587 45.812 79.451 1.00 77.86 H +ATOM 3735 HG23 THR B 31 71.490 46.544 78.109 1.00 77.86 H +ATOM 3736 N TYR B 32 67.219 48.294 76.306 1.00 64.80 N +ATOM 3737 CA TYR B 32 66.221 49.306 75.921 1.00 59.22 C +ATOM 3738 C TYR B 32 65.186 48.781 74.908 1.00 64.96 C +ATOM 3739 O TYR B 32 65.441 47.851 74.142 1.00 64.12 O +ATOM 3740 CB TYR B 32 66.915 50.571 75.375 1.00 50.51 C +ATOM 3741 CG TYR B 32 68.128 51.046 76.149 1.00 45.70 C +ATOM 3742 CD1 TYR B 32 68.037 51.304 77.527 1.00 45.48 C +ATOM 3743 CD2 TYR B 32 69.363 51.193 75.493 1.00 56.35 C +ATOM 3744 CE1 TYR B 32 69.190 51.647 78.257 1.00 42.70 C +ATOM 3745 CE2 TYR B 32 70.512 51.556 76.217 1.00 64.61 C +ATOM 3746 CZ TYR B 32 70.436 51.753 77.606 1.00 54.67 C +ATOM 3747 OH TYR B 32 71.563 52.031 78.312 1.00 51.38 O +ATOM 3748 H TYR B 32 67.720 47.829 75.564 1.00 77.77 H +ATOM 3749 HA TYR B 32 65.661 49.607 76.806 1.00 71.06 H +ATOM 3750 HB2 TYR B 32 67.219 50.369 74.349 1.00 60.61 H +ATOM 3751 HB3 TYR B 32 66.192 51.385 75.344 1.00 60.61 H +ATOM 3752 HD1 TYR B 32 67.090 51.200 78.034 1.00 54.58 H +ATOM 3753 HD2 TYR B 32 69.438 51.008 74.433 1.00 67.62 H +ATOM 3754 HE1 TYR B 32 69.126 51.805 79.323 1.00 51.24 H +ATOM 3755 HE2 TYR B 32 71.462 51.658 75.715 1.00 77.54 H +ATOM 3756 HH TYR B 32 71.379 52.115 79.249 1.00 61.66 H +ATOM 3757 N PHE B 33 64.027 49.435 74.874 1.00 62.27 N +ATOM 3758 CA PHE B 33 63.041 49.376 73.795 1.00 54.69 C +ATOM 3759 C PHE B 33 62.769 50.804 73.296 1.00 53.20 C +ATOM 3760 O PHE B 33 62.950 51.777 74.022 1.00 52.64 O +ATOM 3761 CB PHE B 33 61.793 48.623 74.253 1.00 54.08 C +ATOM 3762 CG PHE B 33 62.034 47.141 74.488 1.00 59.88 C +ATOM 3763 CD1 PHE B 33 62.523 46.682 75.724 1.00 62.38 C +ATOM 3764 CD2 PHE B 33 61.767 46.209 73.467 1.00 65.42 C +ATOM 3765 CE1 PHE B 33 62.737 45.306 75.934 1.00 66.71 C +ATOM 3766 CE2 PHE B 33 61.960 44.831 73.682 1.00 69.67 C +ATOM 3767 CZ PHE B 33 62.452 44.379 74.917 1.00 71.42 C +ATOM 3768 H PHE B 33 63.901 50.185 75.539 1.00 74.73 H +ATOM 3769 HA PHE B 33 63.464 48.824 72.956 1.00 65.63 H +ATOM 3770 HB2 PHE B 33 61.417 49.075 75.170 1.00 64.90 H +ATOM 3771 HB3 PHE B 33 61.019 48.733 73.495 1.00 64.90 H +ATOM 3772 HD1 PHE B 33 62.731 47.383 76.518 1.00 74.86 H +ATOM 3773 HD2 PHE B 33 61.392 46.550 72.514 1.00 78.51 H +ATOM 3774 HE1 PHE B 33 63.107 44.960 76.887 1.00 80.05 H +ATOM 3775 HE2 PHE B 33 61.728 44.122 72.902 1.00 83.60 H +ATOM 3776 HZ PHE B 33 62.597 43.324 75.090 1.00 85.70 H +ATOM 3777 N VAL B 34 62.429 50.938 72.021 1.00 51.60 N +ATOM 3778 CA VAL B 34 62.703 52.145 71.212 1.00 57.33 C +ATOM 3779 C VAL B 34 62.158 53.481 71.755 1.00 48.16 C +ATOM 3780 O VAL B 34 60.974 53.581 72.073 1.00 50.26 O +ATOM 3781 CB VAL B 34 62.201 51.920 69.768 1.00 65.50 C +ATOM 3782 CG1 VAL B 34 62.681 53.016 68.812 1.00 59.62 C +ATOM 3783 CG2 VAL B 34 62.699 50.587 69.190 1.00 59.99 C +ATOM 3784 H VAL B 34 62.247 50.090 71.505 1.00 61.92 H +ATOM 3785 HA VAL B 34 63.787 52.242 71.155 1.00 68.79 H +ATOM 3786 HB VAL B 34 61.111 51.912 69.763 1.00 78.60 H +ATOM 3787 HG11 VAL B 34 62.300 52.831 67.808 1.00 71.54 H +ATOM 3788 HG12 VAL B 34 62.321 53.994 69.127 1.00 71.54 H +ATOM 3789 HG13 VAL B 34 63.769 53.030 68.777 1.00 71.54 H +ATOM 3790 HG21 VAL B 34 62.473 50.536 68.127 1.00 71.99 H +ATOM 3791 HG22 VAL B 34 63.776 50.503 69.315 1.00 71.99 H +ATOM 3792 HG23 VAL B 34 62.205 49.744 69.669 1.00 71.99 H +ATOM 3793 N TYR B 35 63.003 54.527 71.739 1.00 44.73 N +ATOM 3794 CA TYR B 35 62.617 55.948 71.774 1.00 39.90 C +ATOM 3795 C TYR B 35 63.670 56.840 71.079 1.00 39.09 C +ATOM 3796 O TYR B 35 64.847 56.781 71.431 1.00 32.66 O +ATOM 3797 CB TYR B 35 62.401 56.406 73.223 1.00 39.46 C +ATOM 3798 CG TYR B 35 61.756 57.774 73.379 1.00 42.01 C +ATOM 3799 CD1 TYR B 35 62.431 58.942 72.976 1.00 40.33 C +ATOM 3800 CD2 TYR B 35 60.481 57.892 73.961 1.00 46.54 C +ATOM 3801 CE1 TYR B 35 61.819 60.199 73.100 1.00 36.15 C +ATOM 3802 CE2 TYR B 35 59.882 59.152 74.128 1.00 44.71 C +ATOM 3803 CZ TYR B 35 60.557 60.306 73.698 1.00 39.84 C +ATOM 3804 OH TYR B 35 60.034 61.528 73.922 1.00 37.47 O +ATOM 3805 H TYR B 35 63.973 54.336 71.537 1.00 53.68 H +ATOM 3806 HA TYR B 35 61.668 56.059 71.248 1.00 47.88 H +ATOM 3807 HB2 TYR B 35 61.774 55.672 73.727 1.00 47.35 H +ATOM 3808 HB3 TYR B 35 63.361 56.415 73.739 1.00 47.35 H +ATOM 3809 HD1 TYR B 35 63.439 58.895 72.592 1.00 48.39 H +ATOM 3810 HD2 TYR B 35 59.955 57.006 74.284 1.00 55.85 H +ATOM 3811 HE1 TYR B 35 62.338 61.093 72.789 1.00 43.38 H +ATOM 3812 HE2 TYR B 35 58.908 59.237 74.585 1.00 53.66 H +ATOM 3813 HH TYR B 35 59.533 61.541 74.740 1.00 44.96 H +ATOM 3814 N TRP B 36 63.242 57.701 70.142 1.00 42.95 N +ATOM 3815 CA TRP B 36 64.045 58.624 69.303 1.00 37.55 C +ATOM 3816 C TRP B 36 63.456 60.070 69.274 1.00 37.41 C +ATOM 3817 O TRP B 36 62.322 60.287 69.701 1.00 40.10 O +ATOM 3818 CB TRP B 36 64.107 58.084 67.860 1.00 38.35 C +ATOM 3819 CG TRP B 36 64.934 56.879 67.507 1.00 38.71 C +ATOM 3820 CD1 TRP B 36 65.583 56.027 68.331 1.00 46.16 C +ATOM 3821 CD2 TRP B 36 65.259 56.411 66.164 1.00 30.01 C +ATOM 3822 NE1 TRP B 36 66.215 55.042 67.601 1.00 39.50 N +ATOM 3823 CE2 TRP B 36 66.059 55.236 66.256 1.00 29.41 C +ATOM 3824 CE3 TRP B 36 65.002 56.906 64.873 1.00 28.20 C +ATOM 3825 CZ2 TRP B 36 66.566 54.571 65.137 1.00 32.15 C +ATOM 3826 CZ3 TRP B 36 65.525 56.262 63.741 1.00 29.95 C +ATOM 3827 CH2 TRP B 36 66.304 55.100 63.866 1.00 34.29 C +ATOM 3828 H TRP B 36 62.244 57.751 70.001 1.00 51.53 H +ATOM 3829 HA TRP B 36 65.060 58.697 69.692 1.00 45.07 H +ATOM 3830 HB2 TRP B 36 63.089 57.881 67.528 1.00 46.02 H +ATOM 3831 HB3 TRP B 36 64.487 58.882 67.223 1.00 46.02 H +ATOM 3832 HD1 TRP B 36 65.615 56.089 69.409 1.00 55.39 H +ATOM 3833 HE1 TRP B 36 66.739 54.289 68.022 1.00 47.40 H +ATOM 3834 HE3 TRP B 36 64.407 57.799 64.759 1.00 33.84 H +ATOM 3835 HZ2 TRP B 36 67.179 53.690 65.256 1.00 38.58 H +ATOM 3836 HZ3 TRP B 36 65.317 56.664 62.761 1.00 35.94 H +ATOM 3837 HH2 TRP B 36 66.698 54.615 62.985 1.00 41.15 H +ATOM 3838 N TYR B 37 64.190 61.058 68.729 1.00 32.61 N +ATOM 3839 CA TYR B 37 63.794 62.481 68.652 1.00 28.44 C +ATOM 3840 C TYR B 37 63.655 63.096 67.246 1.00 36.54 C +ATOM 3841 O TYR B 37 64.520 62.881 66.397 1.00 36.73 O +ATOM 3842 CB TYR B 37 64.877 63.314 69.300 1.00 22.77 C +ATOM 3843 CG TYR B 37 65.127 63.038 70.749 1.00 27.34 C +ATOM 3844 CD1 TYR B 37 64.098 63.244 71.683 1.00 29.15 C +ATOM 3845 CD2 TYR B 37 66.434 62.758 71.177 1.00 31.07 C +ATOM 3846 CE1 TYR B 37 64.410 63.297 73.057 1.00 0.00 C +ATOM 3847 CE2 TYR B 37 66.747 62.827 72.543 1.00 38.52 C +ATOM 3848 CZ TYR B 37 65.753 63.168 73.471 1.00 38.18 C +ATOM 3849 OH TYR B 37 66.136 63.499 74.723 1.00 29.92 O +ATOM 3850 H TYR B 37 65.120 60.831 68.410 1.00 39.13 H +ATOM 3851 HA TYR B 37 62.858 62.632 69.190 1.00 34.13 H +ATOM 3852 HB2 TYR B 37 65.801 63.177 68.740 1.00 27.33 H +ATOM 3853 HB3 TYR B 37 64.606 64.366 69.216 1.00 27.33 H +ATOM 3854 HD1 TYR B 37 63.092 63.447 71.350 1.00 34.98 H +ATOM 3855 HD2 TYR B 37 67.220 62.576 70.459 1.00 37.28 H +ATOM 3856 HE1 TYR B 37 63.633 63.504 73.777 1.00 0.00 H +ATOM 3857 HE2 TYR B 37 67.758 62.679 72.890 1.00 46.22 H +ATOM 3858 HH TYR B 37 65.504 63.249 75.399 1.00 35.90 H +ATOM 3859 N GLN B 38 62.656 63.976 67.056 1.00 29.47 N +ATOM 3860 CA GLN B 38 62.378 64.732 65.819 1.00 24.22 C +ATOM 3861 C GLN B 38 62.312 66.235 66.094 1.00 22.99 C +ATOM 3862 O GLN B 38 61.821 66.640 67.142 1.00 25.42 O +ATOM 3863 CB GLN B 38 61.069 64.211 65.208 1.00 25.56 C +ATOM 3864 CG GLN B 38 60.530 64.946 63.968 1.00 29.77 C +ATOM 3865 CD GLN B 38 59.128 64.463 63.582 1.00 35.47 C +ATOM 3866 OE1 GLN B 38 58.131 64.812 64.192 1.00 35.96 O +ATOM 3867 NE2 GLN B 38 58.997 63.648 62.566 1.00 37.29 N +ATOM 3868 H GLN B 38 62.046 64.159 67.839 1.00 35.36 H +ATOM 3869 HA GLN B 38 63.180 64.557 65.103 1.00 29.07 H +ATOM 3870 HB2 GLN B 38 61.239 63.172 64.925 1.00 30.67 H +ATOM 3871 HB3 GLN B 38 60.300 64.238 65.979 1.00 30.67 H +ATOM 3872 HG2 GLN B 38 60.463 66.015 64.163 1.00 35.72 H +ATOM 3873 HG3 GLN B 38 61.214 64.793 63.134 1.00 35.72 H +ATOM 3874 HE21 GLN B 38 58.079 63.477 62.183 1.00 44.75 H +ATOM 3875 HE22 GLN B 38 59.795 63.426 61.990 1.00 44.75 H +ATOM 3876 N GLN B 39 62.793 67.056 65.157 1.00 27.61 N +ATOM 3877 CA GLN B 39 62.952 68.514 65.296 1.00 29.75 C +ATOM 3878 C GLN B 39 62.601 69.266 63.989 1.00 31.91 C +ATOM 3879 O GLN B 39 63.418 69.301 63.069 1.00 33.38 O +ATOM 3880 CB GLN B 39 64.418 68.767 65.729 1.00 26.41 C +ATOM 3881 CG GLN B 39 64.791 70.247 65.941 1.00 25.02 C +ATOM 3882 CD GLN B 39 66.229 70.452 66.411 1.00 20.99 C +ATOM 3883 OE1 GLN B 39 66.514 71.175 67.352 1.00 23.64 O +ATOM 3884 NE2 GLN B 39 67.190 69.820 65.786 1.00 21.62 N +ATOM 3885 H GLN B 39 63.221 66.633 64.347 1.00 33.13 H +ATOM 3886 HA GLN B 39 62.293 68.881 66.083 1.00 35.70 H +ATOM 3887 HB2 GLN B 39 64.599 68.237 66.663 1.00 31.70 H +ATOM 3888 HB3 GLN B 39 65.078 68.341 64.974 1.00 31.70 H +ATOM 3889 HG2 GLN B 39 64.669 70.787 65.003 1.00 30.02 H +ATOM 3890 HG3 GLN B 39 64.117 70.680 66.679 1.00 30.02 H +ATOM 3891 HE21 GLN B 39 68.136 69.925 66.120 1.00 25.94 H +ATOM 3892 HE22 GLN B 39 66.987 69.247 64.983 1.00 25.94 H +ATOM 3893 N LEU B 40 61.415 69.884 63.886 1.00 32.83 N +ATOM 3894 CA LEU B 40 61.070 70.783 62.763 1.00 36.83 C +ATOM 3895 C LEU B 40 61.993 72.019 62.757 1.00 38.62 C +ATOM 3896 O LEU B 40 62.408 72.463 63.832 1.00 39.05 O +ATOM 3897 CB LEU B 40 59.603 71.274 62.876 1.00 42.60 C +ATOM 3898 CG LEU B 40 58.543 70.582 61.993 1.00 51.72 C +ATOM 3899 CD1 LEU B 40 57.154 71.097 62.378 1.00 60.53 C +ATOM 3900 CD2 LEU B 40 58.718 70.889 60.504 1.00 50.16 C +ATOM 3901 H LEU B 40 60.776 69.831 64.665 1.00 39.40 H +ATOM 3902 HA LEU B 40 61.202 70.237 61.829 1.00 44.19 H +ATOM 3903 HB2 LEU B 40 59.291 71.186 63.916 1.00 51.13 H +ATOM 3904 HB3 LEU B 40 59.563 72.335 62.635 1.00 51.13 H +ATOM 3905 HG LEU B 40 58.581 69.504 62.149 1.00 62.06 H +ATOM 3906 HD11 LEU B 40 56.395 70.632 61.750 1.00 72.64 H +ATOM 3907 HD12 LEU B 40 56.944 70.850 63.418 1.00 72.64 H +ATOM 3908 HD13 LEU B 40 57.106 72.177 62.252 1.00 72.64 H +ATOM 3909 HD21 LEU B 40 57.909 70.442 59.927 1.00 60.19 H +ATOM 3910 HD22 LEU B 40 58.708 71.965 60.340 1.00 60.19 H +ATOM 3911 HD23 LEU B 40 59.655 70.466 60.145 1.00 60.19 H +ATOM 3912 N PRO B 41 62.246 72.658 61.602 1.00 38.26 N +ATOM 3913 CA PRO B 41 62.920 73.952 61.553 1.00 41.94 C +ATOM 3914 C PRO B 41 62.214 75.002 62.421 1.00 40.39 C +ATOM 3915 O PRO B 41 60.988 75.091 62.426 1.00 39.10 O +ATOM 3916 CB PRO B 41 62.936 74.350 60.071 1.00 45.64 C +ATOM 3917 CG PRO B 41 62.870 73.008 59.347 1.00 45.11 C +ATOM 3918 CD PRO B 41 61.951 72.203 60.257 1.00 39.39 C +ATOM 3919 HA PRO B 41 63.946 73.820 61.897 1.00 50.33 H +ATOM 3920 HB2 PRO B 41 62.050 74.933 59.823 1.00 54.76 H +ATOM 3921 HB3 PRO B 41 63.839 74.902 59.814 1.00 54.76 H +ATOM 3922 HG2 PRO B 41 62.461 73.106 58.342 1.00 54.13 H +ATOM 3923 HG3 PRO B 41 63.859 72.552 59.321 1.00 54.13 H +ATOM 3924 HD2 PRO B 41 60.916 72.439 60.014 1.00 47.27 H +ATOM 3925 HD3 PRO B 41 62.146 71.139 60.133 1.00 47.27 H +ATOM 3926 N GLY B 42 62.973 75.803 63.167 1.00 38.51 N +ATOM 3927 CA GLY B 42 62.414 76.842 64.036 1.00 32.22 C +ATOM 3928 C GLY B 42 61.682 76.320 65.275 1.00 34.04 C +ATOM 3929 O GLY B 42 60.755 76.979 65.740 1.00 39.45 O +ATOM 3930 H GLY B 42 63.976 75.706 63.119 1.00 46.22 H +ATOM 3931 HA2 GLY B 42 63.230 77.477 64.380 1.00 38.66 H +ATOM 3932 HA3 GLY B 42 61.726 77.462 63.462 1.00 38.66 H +ATOM 3933 N THR B 43 62.059 75.152 65.810 1.00 31.28 N +ATOM 3934 CA THR B 43 61.392 74.520 66.969 1.00 32.42 C +ATOM 3935 C THR B 43 62.353 73.935 67.994 1.00 28.49 C +ATOM 3936 O THR B 43 63.527 73.725 67.705 1.00 31.17 O +ATOM 3937 CB THR B 43 60.428 73.403 66.549 1.00 40.05 C +ATOM 3938 OG1 THR B 43 61.118 72.253 66.125 1.00 37.97 O +ATOM 3939 CG2 THR B 43 59.446 73.827 65.461 1.00 48.27 C +ATOM 3940 H THR B 43 62.848 74.673 65.400 1.00 37.54 H +ATOM 3941 HA THR B 43 60.803 75.274 67.491 1.00 38.90 H +ATOM 3942 HB THR B 43 59.844 73.124 67.425 1.00 48.06 H +ATOM 3943 HG1 THR B 43 61.604 72.470 65.328 1.00 45.56 H +ATOM 3944 HG21 THR B 43 58.684 73.059 65.333 1.00 57.93 H +ATOM 3945 HG22 THR B 43 58.955 74.755 65.751 1.00 57.93 H +ATOM 3946 HG23 THR B 43 59.967 73.972 64.517 1.00 57.93 H +ATOM 3947 N ALA B 44 61.845 73.641 69.192 1.00 28.92 N +ATOM 3948 CA ALA B 44 62.508 72.769 70.165 1.00 31.01 C +ATOM 3949 C ALA B 44 62.260 71.265 69.872 1.00 27.84 C +ATOM 3950 O ALA B 44 61.168 70.936 69.404 1.00 31.03 O +ATOM 3951 CB ALA B 44 62.002 73.135 71.560 1.00 35.70 C +ATOM 3952 H ALA B 44 60.881 73.872 69.376 1.00 34.70 H +ATOM 3953 HA ALA B 44 63.577 72.982 70.141 1.00 37.22 H +ATOM 3954 HB1 ALA B 44 62.519 72.535 72.308 1.00 42.83 H +ATOM 3955 HB2 ALA B 44 62.205 74.188 71.749 1.00 42.83 H +ATOM 3956 HB3 ALA B 44 60.930 72.954 71.633 1.00 42.83 H +ATOM 3957 N PRO B 45 63.206 70.346 70.169 1.00 19.44 N +ATOM 3958 CA PRO B 45 63.076 68.906 69.910 1.00 19.23 C +ATOM 3959 C PRO B 45 61.863 68.205 70.540 1.00 20.58 C +ATOM 3960 O PRO B 45 61.346 68.643 71.566 1.00 22.53 O +ATOM 3961 CB PRO B 45 64.387 68.295 70.395 1.00 14.62 C +ATOM 3962 CG PRO B 45 65.371 69.400 70.067 1.00 17.02 C +ATOM 3963 CD PRO B 45 64.594 70.640 70.479 1.00 21.51 C +ATOM 3964 HA PRO B 45 63.016 68.772 68.831 1.00 23.07 H +ATOM 3965 HB2 PRO B 45 64.358 68.132 71.471 1.00 17.54 H +ATOM 3966 HB3 PRO B 45 64.626 67.372 69.870 1.00 17.54 H +ATOM 3967 HG2 PRO B 45 66.307 69.300 70.616 1.00 20.42 H +ATOM 3968 HG3 PRO B 45 65.556 69.406 68.995 1.00 20.42 H +ATOM 3969 HD2 PRO B 45 64.700 70.809 71.547 1.00 25.81 H +ATOM 3970 HD3 PRO B 45 64.968 71.492 69.916 1.00 25.81 H +ATOM 3971 N LYS B 46 61.418 67.096 69.930 1.00 20.63 N +ATOM 3972 CA LYS B 46 60.125 66.459 70.210 1.00 20.12 C +ATOM 3973 C LYS B 46 60.160 64.932 70.250 1.00 26.90 C +ATOM 3974 O LYS B 46 61.051 64.296 69.688 1.00 27.62 O +ATOM 3975 CB LYS B 46 59.104 66.906 69.155 1.00 27.26 C +ATOM 3976 CG LYS B 46 59.010 68.430 69.028 1.00 33.47 C +ATOM 3977 CD LYS B 46 57.814 68.847 68.171 1.00 43.12 C +ATOM 3978 CE LYS B 46 57.793 70.374 68.062 1.00 49.26 C +ATOM 3979 NZ LYS B 46 56.597 70.838 67.319 1.00 51.48 N +ATOM 3980 H LYS B 46 61.879 66.807 69.080 1.00 24.75 H +ATOM 3981 HA LYS B 46 59.774 66.793 71.185 1.00 24.15 H +ATOM 3982 HB2 LYS B 46 59.371 66.487 68.185 1.00 32.71 H +ATOM 3983 HB3 LYS B 46 58.122 66.522 69.427 1.00 32.71 H +ATOM 3984 HG2 LYS B 46 58.907 68.869 70.020 1.00 40.16 H +ATOM 3985 HG3 LYS B 46 59.918 68.803 68.557 1.00 40.16 H +ATOM 3986 HD2 LYS B 46 57.902 68.403 67.181 1.00 51.74 H +ATOM 3987 HD3 LYS B 46 56.896 68.498 68.639 1.00 51.74 H +ATOM 3988 HE2 LYS B 46 57.793 70.790 69.068 1.00 59.12 H +ATOM 3989 HE3 LYS B 46 58.706 70.703 67.567 1.00 59.12 H +ATOM 3990 HZ1 LYS B 46 56.572 71.844 67.249 1.00 61.78 H +ATOM 3991 HZ2 LYS B 46 56.563 70.450 66.389 1.00 61.78 H +ATOM 3992 HZ3 LYS B 46 55.753 70.556 67.793 1.00 61.78 H +ATOM 3993 N VAL B 47 59.126 64.373 70.883 1.00 32.68 N +ATOM 3994 CA VAL B 47 58.797 62.940 71.036 1.00 36.84 C +ATOM 3995 C VAL B 47 58.572 62.236 69.699 1.00 40.24 C +ATOM 3996 O VAL B 47 57.882 62.774 68.834 1.00 41.15 O +ATOM 3997 CB VAL B 47 57.471 62.773 71.823 1.00 35.83 C +ATOM 3998 CG1 VAL B 47 57.123 61.306 72.123 1.00 40.40 C +ATOM 3999 CG2 VAL B 47 57.433 63.562 73.136 1.00 33.75 C +ATOM 4000 H VAL B 47 58.460 65.021 71.278 1.00 39.22 H +ATOM 4001 HA VAL B 47 59.605 62.445 71.573 1.00 44.21 H +ATOM 4002 HB VAL B 47 56.662 63.169 71.210 1.00 43.00 H +ATOM 4003 HG11 VAL B 47 56.208 61.256 72.712 1.00 48.48 H +ATOM 4004 HG12 VAL B 47 56.958 60.744 71.205 1.00 48.48 H +ATOM 4005 HG13 VAL B 47 57.920 60.828 72.690 1.00 48.48 H +ATOM 4006 HG21 VAL B 47 56.494 63.367 73.651 1.00 40.50 H +ATOM 4007 HG22 VAL B 47 58.260 63.275 73.782 1.00 40.50 H +ATOM 4008 HG23 VAL B 47 57.486 64.632 72.940 1.00 40.50 H +ATOM 4009 N LEU B 48 59.029 60.986 69.574 1.00 38.75 N +ATOM 4010 CA LEU B 48 58.608 60.106 68.485 1.00 42.25 C +ATOM 4011 C LEU B 48 57.799 58.892 68.899 1.00 47.63 C +ATOM 4012 O LEU B 48 56.747 58.656 68.315 1.00 60.35 O +ATOM 4013 CB LEU B 48 59.820 59.644 67.674 1.00 43.94 C +ATOM 4014 CG LEU B 48 60.351 60.745 66.756 1.00 46.68 C +ATOM 4015 CD1 LEU B 48 61.614 60.249 66.069 1.00 43.52 C +ATOM 4016 CD2 LEU B 48 59.313 61.085 65.680 1.00 47.93 C +ATOM 4017 H LEU B 48 59.652 60.625 70.282 1.00 46.50 H +ATOM 4018 HA LEU B 48 57.932 60.646 67.822 1.00 50.69 H +ATOM 4019 HB2 LEU B 48 60.602 59.285 68.341 1.00 52.73 H +ATOM 4020 HB3 LEU B 48 59.528 58.799 67.051 1.00 52.73 H +ATOM 4021 HG LEU B 48 60.595 61.639 67.329 1.00 56.02 H +ATOM 4022 HD11 LEU B 48 62.002 61.025 65.410 1.00 52.22 H +ATOM 4023 HD12 LEU B 48 62.375 60.028 66.815 1.00 52.22 H +ATOM 4024 HD13 LEU B 48 61.405 59.353 65.488 1.00 52.22 H +ATOM 4025 HD21 LEU B 48 59.771 61.602 64.840 1.00 57.52 H +ATOM 4026 HD22 LEU B 48 58.862 60.175 65.294 1.00 57.52 H +ATOM 4027 HD23 LEU B 48 58.544 61.734 66.091 1.00 57.52 H +ATOM 4028 N ILE B 49 58.323 58.042 69.777 1.00 46.97 N +ATOM 4029 CA ILE B 49 57.867 56.648 69.835 1.00 59.92 C +ATOM 4030 C ILE B 49 58.192 55.993 71.171 1.00 55.44 C +ATOM 4031 O ILE B 49 59.143 56.396 71.827 1.00 50.74 O +ATOM 4032 CB ILE B 49 58.487 55.877 68.649 1.00 66.28 C +ATOM 4033 CG1 ILE B 49 57.743 54.562 68.335 1.00 75.12 C +ATOM 4034 CG2 ILE B 49 59.996 55.652 68.845 1.00 53.44 C +ATOM 4035 CD1 ILE B 49 58.119 54.005 66.957 1.00 63.97 C +ATOM 4036 H ILE B 49 59.173 58.281 70.266 1.00 56.36 H +ATOM 4037 HA ILE B 49 56.783 56.652 69.720 1.00 71.90 H +ATOM 4038 HB ILE B 49 58.370 56.504 67.766 1.00 79.53 H +ATOM 4039 HG12 ILE B 49 57.944 53.814 69.101 1.00 90.14 H +ATOM 4040 HG13 ILE B 49 56.673 54.767 68.311 1.00 90.14 H +ATOM 4041 HG21 ILE B 49 60.443 55.276 67.925 1.00 64.13 H +ATOM 4042 HG22 ILE B 49 60.488 56.592 69.093 1.00 64.13 H +ATOM 4043 HG23 ILE B 49 60.168 54.929 69.642 1.00 64.13 H +ATOM 4044 HD11 ILE B 49 57.452 53.190 66.677 1.00 76.76 H +ATOM 4045 HD12 ILE B 49 58.017 54.793 66.213 1.00 76.76 H +ATOM 4046 HD13 ILE B 49 59.143 53.636 66.963 1.00 76.76 H +ATOM 4047 N TYR B 50 57.424 54.985 71.562 1.00 60.75 N +ATOM 4048 CA TYR B 50 57.499 54.346 72.877 1.00 57.50 C +ATOM 4049 C TYR B 50 56.803 52.985 72.840 1.00 59.67 C +ATOM 4050 O TYR B 50 56.239 52.618 71.814 1.00 65.97 O +ATOM 4051 CB TYR B 50 56.832 55.271 73.899 1.00 71.60 C +ATOM 4052 CG TYR B 50 55.422 55.665 73.522 1.00 70.02 C +ATOM 4053 CD1 TYR B 50 55.200 56.778 72.691 1.00 73.35 C +ATOM 4054 CD2 TYR B 50 54.336 54.912 74.003 1.00 61.67 C +ATOM 4055 CE1 TYR B 50 53.894 57.106 72.300 1.00 83.82 C +ATOM 4056 CE2 TYR B 50 53.026 55.241 73.616 1.00 70.08 C +ATOM 4057 CZ TYR B 50 52.806 56.321 72.742 1.00 81.30 C +ATOM 4058 OH TYR B 50 51.538 56.594 72.350 1.00 84.81 O +ATOM 4059 H TYR B 50 56.631 54.743 70.988 1.00 72.90 H +ATOM 4060 HA TYR B 50 58.539 54.190 73.159 1.00 69.01 H +ATOM 4061 HB2 TYR B 50 56.825 54.793 74.878 1.00 85.92 H +ATOM 4062 HB3 TYR B 50 57.429 56.178 73.998 1.00 85.92 H +ATOM 4063 HD1 TYR B 50 56.030 57.377 72.348 1.00 88.02 H +ATOM 4064 HD2 TYR B 50 54.509 54.079 74.667 1.00 74.00 H +ATOM 4065 HE1 TYR B 50 53.734 57.969 71.672 1.00100.58 H +ATOM 4066 HE2 TYR B 50 52.186 54.659 73.966 1.00 84.09 H +ATOM 4067 HH TYR B 50 51.503 56.877 71.436 1.00101.78 H +ATOM 4068 N ARG B 51 56.839 52.204 73.929 1.00 61.08 N +ATOM 4069 CA ARG B 51 56.164 50.882 74.009 1.00 70.63 C +ATOM 4070 C ARG B 51 56.464 50.014 72.787 1.00 71.89 C +ATOM 4071 O ARG B 51 55.579 49.469 72.132 1.00 71.51 O +ATOM 4072 CB ARG B 51 54.655 51.018 74.322 1.00 86.41 C +ATOM 4073 CG ARG B 51 54.424 51.158 75.831 1.00 94.13 C +ATOM 4074 CD ARG B 51 52.951 51.029 76.215 1.00 93.59 C +ATOM 4075 NE ARG B 51 52.815 50.819 77.670 1.00 97.28 N +ATOM 4076 CZ ARG B 51 52.391 51.671 78.582 1.00 94.86 C +ATOM 4077 NH1 ARG B 51 52.325 51.301 79.823 1.00 95.48 N +ATOM 4078 NH2 ARG B 51 52.028 52.886 78.299 1.00 89.72 N +ATOM 4079 H ARG B 51 57.325 52.547 74.744 1.00 73.30 H +ATOM 4080 HA ARG B 51 56.614 50.321 74.828 1.00 84.76 H +ATOM 4081 HB2 ARG B 51 54.232 51.871 73.792 1.00103.69 H +ATOM 4082 HB3 ARG B 51 54.127 50.119 74.003 1.00103.69 H +ATOM 4083 HG2 ARG B 51 54.970 50.361 76.335 1.00112.95 H +ATOM 4084 HG3 ARG B 51 54.810 52.116 76.176 1.00112.95 H +ATOM 4085 HD2 ARG B 51 52.406 51.912 75.881 1.00112.31 H +ATOM 4086 HD3 ARG B 51 52.531 50.162 75.706 1.00112.31 H +ATOM 4087 HE ARG B 51 53.062 49.907 78.021 1.00116.74 H +ATOM 4088 HH11 ARG B 51 52.669 50.388 80.080 1.00114.57 H +ATOM 4089 HH12 ARG B 51 51.950 51.924 80.521 1.00114.57 H +ATOM 4090 HH21 ARG B 51 52.046 53.191 77.338 1.00107.67 H +ATOM 4091 HH22 ARG B 51 51.682 53.493 79.023 1.00107.67 H +ATOM 4092 N ASN B 52 57.748 49.949 72.458 1.00 73.18 N +ATOM 4093 CA ASN B 52 58.311 49.221 71.329 1.00 79.55 C +ATOM 4094 C ASN B 52 57.997 49.849 69.941 1.00 79.12 C +ATOM 4095 O ASN B 52 58.887 49.853 69.092 1.00 65.20 O +ATOM 4096 CB ASN B 52 57.979 47.708 71.427 1.00 84.23 C +ATOM 4097 CG ASN B 52 58.159 47.029 72.790 1.00 79.84 C +ATOM 4098 OD1 ASN B 52 57.848 47.542 73.854 1.00 72.96 O +ATOM 4099 ND2 ASN B 52 58.645 45.814 72.807 1.00 72.67 N +ATOM 4100 H ASN B 52 58.385 50.455 73.056 1.00 87.82 H +ATOM 4101 HA ASN B 52 59.394 49.295 71.432 1.00 95.46 H +ATOM 4102 HB2 ASN B 52 56.948 47.541 71.118 1.00101.07 H +ATOM 4103 HB3 ASN B 52 58.601 47.188 70.700 1.00101.07 H +ATOM 4104 HD21 ASN B 52 58.779 45.367 73.701 1.00 87.21 H +ATOM 4105 HD22 ASN B 52 58.874 45.339 71.946 1.00 87.21 H +ATOM 4106 N ASP B 53 56.807 50.418 69.682 1.00 80.24 N +ATOM 4107 CA ASP B 53 56.449 51.001 68.364 1.00 73.34 C +ATOM 4108 C ASP B 53 55.326 52.072 68.350 1.00 68.84 C +ATOM 4109 O ASP B 53 54.963 52.573 67.289 1.00 77.78 O +ATOM 4110 CB ASP B 53 56.083 49.877 67.373 1.00 82.22 C +ATOM 4111 CG ASP B 53 54.810 49.082 67.718 1.00 87.61 C +ATOM 4112 OD1 ASP B 53 54.163 49.353 68.753 1.00 84.23 O +ATOM 4113 OD2 ASP B 53 54.456 48.172 66.934 1.00 86.61 O +ATOM 4114 H ASP B 53 56.090 50.352 70.388 1.00 96.29 H +ATOM 4115 HA ASP B 53 57.343 51.492 67.981 1.00 88.01 H +ATOM 4116 HB2 ASP B 53 55.965 50.314 66.382 1.00 98.67 H +ATOM 4117 HB3 ASP B 53 56.919 49.182 67.306 1.00 98.67 H +ATOM 4118 N GLN B 54 54.749 52.427 69.491 1.00 75.25 N +ATOM 4119 CA GLN B 54 53.596 53.314 69.610 1.00 70.59 C +ATOM 4120 C GLN B 54 53.981 54.785 69.417 1.00 72.56 C +ATOM 4121 O GLN B 54 54.937 55.250 70.034 1.00 66.52 O +ATOM 4122 CB GLN B 54 52.994 53.137 71.009 1.00 78.87 C +ATOM 4123 CG GLN B 54 52.625 51.693 71.379 1.00 86.79 C +ATOM 4124 CD GLN B 54 51.467 51.157 70.555 1.00 97.91 C +ATOM 4125 OE1 GLN B 54 50.323 51.563 70.714 1.00 96.87 O +ATOM 4126 NE2 GLN B 54 51.694 50.216 69.669 1.00 92.67 N +ATOM 4127 H GLN B 54 55.161 52.095 70.350 1.00 90.30 H +ATOM 4128 HA GLN B 54 52.850 53.042 68.864 1.00 84.71 H +ATOM 4129 HB2 GLN B 54 53.734 53.475 71.735 1.00 94.64 H +ATOM 4130 HB3 GLN B 54 52.113 53.771 71.102 1.00 94.64 H +ATOM 4131 HG2 GLN B 54 53.491 51.040 71.276 1.00104.15 H +ATOM 4132 HG3 GLN B 54 52.322 51.674 72.426 1.00104.15 H +ATOM 4133 HE21 GLN B 54 50.918 49.859 69.133 1.00111.20 H +ATOM 4134 HE22 GLN B 54 52.636 49.907 69.477 1.00111.20 H +ATOM 4135 N ARG B 55 53.217 55.541 68.617 1.00 72.11 N +ATOM 4136 CA ARG B 55 53.376 56.996 68.412 1.00 73.57 C +ATOM 4137 C ARG B 55 52.456 57.852 69.304 1.00 70.89 C +ATOM 4138 O ARG B 55 51.475 57.327 69.827 1.00 79.38 O +ATOM 4139 CB ARG B 55 53.139 57.297 66.932 1.00 75.59 C +ATOM 4140 CG ARG B 55 54.398 56.997 66.107 1.00 72.65 C +ATOM 4141 CD ARG B 55 55.029 58.284 65.578 1.00 69.14 C +ATOM 4142 NE ARG B 55 54.190 58.896 64.528 1.00 70.72 N +ATOM 4143 CZ ARG B 55 54.510 59.909 63.746 1.00 69.11 C +ATOM 4144 NH1 ARG B 55 53.758 60.230 62.740 1.00 66.69 N +ATOM 4145 NH2 ARG B 55 55.581 60.612 63.932 1.00 70.82 N +ATOM 4146 H ARG B 55 52.459 55.086 68.130 1.00 86.53 H +ATOM 4147 HA ARG B 55 54.401 57.264 68.663 1.00 88.28 H +ATOM 4148 HB2 ARG B 55 52.303 56.703 66.565 1.00 90.70 H +ATOM 4149 HB3 ARG B 55 52.855 58.341 66.809 1.00 90.70 H +ATOM 4150 HG2 ARG B 55 55.133 56.464 66.708 1.00 87.18 H +ATOM 4151 HG3 ARG B 55 54.142 56.360 65.262 1.00 87.18 H +ATOM 4152 HD2 ARG B 55 55.175 58.981 66.402 1.00 82.96 H +ATOM 4153 HD3 ARG B 55 56.005 58.028 65.169 1.00 82.96 H +ATOM 4154 HE ARG B 55 53.296 58.457 64.360 1.00 84.87 H +ATOM 4155 HH11 ARG B 55 52.928 59.700 62.525 1.00 80.02 H +ATOM 4156 HH12 ARG B 55 54.110 60.926 62.100 1.00 80.02 H +ATOM 4157 HH21 ARG B 55 56.161 60.431 64.737 1.00 84.98 H +ATOM 4158 HH22 ARG B 55 55.795 61.383 63.318 1.00 84.98 H +ATOM 4159 N PRO B 56 52.771 59.141 69.546 1.00 67.86 N +ATOM 4160 CA PRO B 56 52.092 60.013 70.512 1.00 70.31 C +ATOM 4161 C PRO B 56 50.566 60.126 70.431 1.00 76.87 C +ATOM 4162 O PRO B 56 49.959 59.938 69.381 1.00 79.77 O +ATOM 4163 CB PRO B 56 52.695 61.400 70.301 1.00 71.77 C +ATOM 4164 CG PRO B 56 54.116 61.104 69.857 1.00 68.37 C +ATOM 4165 CD PRO B 56 54.045 59.737 69.194 1.00 63.83 C +ATOM 4166 HA PRO B 56 52.353 59.676 71.515 1.00 84.38 H +ATOM 4167 HB2 PRO B 56 52.165 61.929 69.510 1.00 86.13 H +ATOM 4168 HB3 PRO B 56 52.679 61.991 71.217 1.00 86.13 H +ATOM 4169 HG2 PRO B 56 54.491 61.865 69.175 1.00 82.05 H +ATOM 4170 HG3 PRO B 56 54.747 61.037 70.742 1.00 82.05 H +ATOM 4171 HD2 PRO B 56 54.149 59.836 68.114 1.00 76.60 H +ATOM 4172 HD3 PRO B 56 54.847 59.124 69.603 1.00 76.60 H +ATOM 4173 N SER B 57 49.973 60.574 71.544 1.00 80.90 N +ATOM 4174 CA SER B 57 48.580 61.039 71.689 1.00 89.71 C +ATOM 4175 C SER B 57 48.329 62.333 70.890 1.00 92.17 C +ATOM 4176 O SER B 57 48.081 63.409 71.441 1.00 92.47 O +ATOM 4177 CB SER B 57 48.276 61.211 73.186 1.00 91.02 C +ATOM 4178 OG SER B 57 46.970 61.700 73.402 1.00 94.29 O +ATOM 4179 H SER B 57 50.568 60.700 72.349 1.00 97.08 H +ATOM 4180 HA SER B 57 47.913 60.273 71.296 1.00107.65 H +ATOM 4181 HB2 SER B 57 48.382 60.249 73.684 1.00109.23 H +ATOM 4182 HB3 SER B 57 48.989 61.905 73.624 1.00109.23 H +ATOM 4183 HG SER B 57 46.952 62.593 73.059 1.00113.15 H +ATOM 4184 N GLY B 58 48.473 62.236 69.571 1.00 95.59 N +ATOM 4185 CA GLY B 58 48.526 63.357 68.636 1.00 95.77 C +ATOM 4186 C GLY B 58 49.026 62.994 67.232 1.00 98.55 C +ATOM 4187 O GLY B 58 48.829 63.786 66.313 1.00102.44 O +ATOM 4188 H GLY B 58 48.653 61.309 69.214 1.00114.71 H +ATOM 4189 HA2 GLY B 58 47.531 63.789 68.545 1.00114.92 H +ATOM 4190 HA3 GLY B 58 49.196 64.116 69.036 1.00114.92 H +ATOM 4191 N VAL B 59 49.619 61.808 67.029 1.00 96.41 N +ATOM 4192 CA VAL B 59 50.049 61.310 65.706 1.00 98.47 C +ATOM 4193 C VAL B 59 49.802 59.797 65.546 1.00 95.99 C +ATOM 4194 O VAL B 59 49.902 59.057 66.524 1.00 89.63 O +ATOM 4195 CB VAL B 59 51.531 61.626 65.403 1.00 93.41 C +ATOM 4196 CG1 VAL B 59 51.751 63.063 64.935 1.00 98.37 C +ATOM 4197 CG2 VAL B 59 52.469 61.372 66.580 1.00 85.97 C +ATOM 4198 H VAL B 59 49.749 61.182 67.810 1.00115.69 H +ATOM 4199 HA VAL B 59 49.452 61.826 64.954 1.00118.17 H +ATOM 4200 HB VAL B 59 51.841 60.978 64.584 1.00112.10 H +ATOM 4201 HG11 VAL B 59 52.798 63.206 64.672 1.00118.05 H +ATOM 4202 HG12 VAL B 59 51.131 63.262 64.062 1.00118.05 H +ATOM 4203 HG13 VAL B 59 51.488 63.763 65.726 1.00118.05 H +ATOM 4204 HG21 VAL B 59 53.501 61.347 66.230 1.00103.16 H +ATOM 4205 HG22 VAL B 59 52.373 62.178 67.306 1.00103.16 H +ATOM 4206 HG23 VAL B 59 52.211 60.426 67.052 1.00103.16 H +ATOM 4207 N PRO B 60 49.516 59.291 64.332 1.00 97.91 N +ATOM 4208 CA PRO B 60 49.319 57.859 64.098 1.00 93.03 C +ATOM 4209 C PRO B 60 50.620 57.058 64.147 1.00 82.93 C +ATOM 4210 O PRO B 60 51.720 57.601 64.009 1.00 80.11 O +ATOM 4211 CB PRO B 60 48.677 57.729 62.711 1.00 94.62 C +ATOM 4212 CG PRO B 60 48.211 59.140 62.371 1.00 98.47 C +ATOM 4213 CD PRO B 60 49.193 60.029 63.120 1.00 99.44 C +ATOM 4214 HA PRO B 60 48.629 57.466 64.844 1.00111.64 H +ATOM 4215 HB2 PRO B 60 49.414 57.405 61.976 1.00113.55 H +ATOM 4216 HB3 PRO B 60 47.840 57.032 62.728 1.00113.55 H +ATOM 4217 HG2 PRO B 60 48.231 59.328 61.298 1.00118.16 H +ATOM 4218 HG3 PRO B 60 47.208 59.294 62.767 1.00118.16 H +ATOM 4219 HD2 PRO B 60 50.093 60.170 62.524 1.00119.33 H +ATOM 4220 HD3 PRO B 60 48.711 60.986 63.317 1.00119.33 H +ATOM 4221 N ASP B 61 50.493 55.736 64.203 1.00 80.01 N +ATOM 4222 CA ASP B 61 51.592 54.762 64.182 1.00 78.33 C +ATOM 4223 C ASP B 61 52.248 54.579 62.790 1.00 71.29 C +ATOM 4224 O ASP B 61 52.577 53.468 62.373 1.00 73.63 O +ATOM 4225 CB ASP B 61 51.109 53.443 64.802 1.00 80.12 C +ATOM 4226 CG ASP B 61 50.595 53.599 66.240 1.00 85.86 C +ATOM 4227 OD1 ASP B 61 51.165 54.391 67.020 1.00 79.06 O +ATOM 4228 OD2 ASP B 61 49.626 52.894 66.595 1.00 93.08 O +ATOM 4229 H ASP B 61 49.555 55.367 64.260 1.00 96.01 H +ATOM 4230 HA ASP B 61 52.380 55.144 64.830 1.00 93.99 H +ATOM 4231 HB2 ASP B 61 50.322 53.028 64.173 1.00 96.15 H +ATOM 4232 HB3 ASP B 61 51.936 52.734 64.815 1.00 96.15 H +ATOM 4233 N ARG B 62 52.479 55.684 62.065 1.00 68.28 N +ATOM 4234 CA ARG B 62 53.170 55.732 60.754 1.00 65.87 C +ATOM 4235 C ARG B 62 54.584 55.156 60.774 1.00 59.28 C +ATOM 4236 O ARG B 62 55.175 54.933 59.718 1.00 60.44 O +ATOM 4237 CB ARG B 62 53.233 57.186 60.246 1.00 68.33 C +ATOM 4238 CG ARG B 62 51.852 57.723 59.844 1.00 83.09 C +ATOM 4239 CD ARG B 62 51.904 58.951 58.921 1.00 81.70 C +ATOM 4240 NE ARG B 62 50.553 59.540 58.784 1.00 83.76 N +ATOM 4241 CZ ARG B 62 50.166 60.589 58.081 1.00 81.28 C +ATOM 4242 NH1 ARG B 62 48.954 61.024 58.195 1.00 75.45 N +ATOM 4243 NH2 ARG B 62 50.942 61.244 57.272 1.00 88.79 N +ATOM 4244 H ARG B 62 52.158 56.551 62.471 1.00 81.93 H +ATOM 4245 HA ARG B 62 52.617 55.127 60.037 1.00 79.04 H +ATOM 4246 HB2 ARG B 62 53.674 57.827 61.008 1.00 82.00 H +ATOM 4247 HB3 ARG B 62 53.889 57.228 59.378 1.00 82.00 H +ATOM 4248 HG2 ARG B 62 51.302 56.940 59.326 1.00 99.71 H +ATOM 4249 HG3 ARG B 62 51.307 57.983 60.748 1.00 99.71 H +ATOM 4250 HD2 ARG B 62 52.588 59.688 59.337 1.00 98.04 H +ATOM 4251 HD3 ARG B 62 52.280 58.638 57.948 1.00 98.04 H +ATOM 4252 HE ARG B 62 49.812 59.081 59.290 1.00100.51 H +ATOM 4253 HH11 ARG B 62 48.297 60.551 58.795 1.00 90.54 H +ATOM 4254 HH12 ARG B 62 48.648 61.826 57.666 1.00 90.54 H +ATOM 4255 HH21 ARG B 62 51.798 60.790 56.990 1.00106.55 H +ATOM 4256 HH22 ARG B 62 50.509 61.882 56.622 1.00106.55 H +ATOM 4257 N ILE B 63 55.126 54.963 61.971 1.00 57.65 N +ATOM 4258 CA ILE B 63 56.486 54.536 62.263 1.00 55.58 C +ATOM 4259 C ILE B 63 56.453 53.151 62.911 1.00 46.82 C +ATOM 4260 O ILE B 63 55.593 52.868 63.741 1.00 54.67 O +ATOM 4261 CB ILE B 63 57.176 55.576 63.176 1.00 60.31 C +ATOM 4262 CG1 ILE B 63 57.159 56.982 62.538 1.00 58.87 C +ATOM 4263 CG2 ILE B 63 58.609 55.140 63.480 1.00 51.51 C +ATOM 4264 CD1 ILE B 63 58.073 58.042 63.162 1.00 50.30 C +ATOM 4265 H ILE B 63 54.511 55.093 62.760 1.00 69.18 H +ATOM 4266 HA ILE B 63 57.046 54.466 61.331 1.00 66.70 H +ATOM 4267 HB ILE B 63 56.636 55.629 64.121 1.00 72.38 H +ATOM 4268 HG12 ILE B 63 57.450 56.884 61.492 1.00 70.65 H +ATOM 4269 HG13 ILE B 63 56.140 57.365 62.562 1.00 70.65 H +ATOM 4270 HG21 ILE B 63 59.074 55.865 64.146 1.00 61.81 H +ATOM 4271 HG22 ILE B 63 58.631 54.181 63.996 1.00 61.81 H +ATOM 4272 HG23 ILE B 63 59.179 55.061 62.555 1.00 61.81 H +ATOM 4273 HD11 ILE B 63 57.823 59.019 62.750 1.00 60.36 H +ATOM 4274 HD12 ILE B 63 57.954 58.062 64.245 1.00 60.36 H +ATOM 4275 HD13 ILE B 63 59.114 57.830 62.924 1.00 60.36 H +ATOM 4276 N SER B 64 57.426 52.309 62.581 1.00 41.91 N +ATOM 4277 CA SER B 64 57.768 51.120 63.358 1.00 42.13 C +ATOM 4278 C SER B 64 59.176 51.258 63.930 1.00 37.92 C +ATOM 4279 O SER B 64 60.135 51.405 63.171 1.00 40.11 O +ATOM 4280 CB SER B 64 57.663 49.872 62.479 1.00 48.58 C +ATOM 4281 OG SER B 64 58.515 49.980 61.355 1.00 48.75 O +ATOM 4282 H SER B 64 58.070 52.592 61.856 1.00 50.29 H +ATOM 4283 HA SER B 64 57.070 50.996 64.186 1.00 50.56 H +ATOM 4284 HB2 SER B 64 57.941 48.995 63.062 1.00 58.30 H +ATOM 4285 HB3 SER B 64 56.634 49.754 62.140 1.00 58.30 H +ATOM 4286 HG SER B 64 59.367 50.267 61.675 1.00 58.50 H +ATOM 4287 N GLY B 65 59.325 51.186 65.250 1.00 33.10 N +ATOM 4288 CA GLY B 65 60.638 51.043 65.883 1.00 30.09 C +ATOM 4289 C GLY B 65 61.103 49.593 65.831 1.00 25.62 C +ATOM 4290 O GLY B 65 60.278 48.684 65.814 1.00 30.82 O +ATOM 4291 H GLY B 65 58.510 51.026 65.824 1.00 39.72 H +ATOM 4292 HA2 GLY B 65 61.370 51.670 65.376 1.00 36.11 H +ATOM 4293 HA3 GLY B 65 60.579 51.351 66.926 1.00 36.11 H +ATOM 4294 N SER B 66 62.407 49.348 65.796 1.00 25.27 N +ATOM 4295 CA SER B 66 62.968 47.997 65.744 1.00 24.95 C +ATOM 4296 C SER B 66 64.432 47.956 66.191 1.00 27.74 C +ATOM 4297 O SER B 66 65.089 48.977 66.367 1.00 33.96 O +ATOM 4298 CB SER B 66 62.799 47.431 64.329 1.00 34.21 C +ATOM 4299 OG SER B 66 63.417 48.248 63.351 1.00 34.71 O +ATOM 4300 H SER B 66 63.062 50.112 65.722 1.00 30.32 H +ATOM 4301 HA SER B 66 62.411 47.355 66.426 1.00 29.94 H +ATOM 4302 HB2 SER B 66 63.219 46.427 64.283 1.00 41.06 H +ATOM 4303 HB3 SER B 66 61.736 47.359 64.104 1.00 41.06 H +ATOM 4304 HG SER B 66 63.027 48.015 62.508 1.00 41.65 H +ATOM 4305 N LYS B 67 64.968 46.761 66.418 1.00 27.07 N +ATOM 4306 CA LYS B 67 66.372 46.547 66.797 1.00 38.54 C +ATOM 4307 C LYS B 67 66.818 45.136 66.442 1.00 46.88 C +ATOM 4308 O LYS B 67 65.978 44.252 66.280 1.00 50.89 O +ATOM 4309 CB LYS B 67 66.565 46.820 68.300 1.00 51.20 C +ATOM 4310 CG LYS B 67 65.616 46.004 69.191 1.00 60.61 C +ATOM 4311 CD LYS B 67 65.948 46.153 70.683 1.00 71.84 C +ATOM 4312 CE LYS B 67 64.925 45.358 71.509 1.00 86.26 C +ATOM 4313 NZ LYS B 67 65.288 45.292 72.951 1.00 73.99 N +ATOM 4314 H LYS B 67 64.395 45.940 66.289 1.00 32.48 H +ATOM 4315 HA LYS B 67 67.004 47.230 66.231 1.00 46.25 H +ATOM 4316 HB2 LYS B 67 67.595 46.594 68.571 1.00 61.44 H +ATOM 4317 HB3 LYS B 67 66.400 47.878 68.497 1.00 61.44 H +ATOM 4318 HG2 LYS B 67 64.593 46.336 69.025 1.00 72.73 H +ATOM 4319 HG3 LYS B 67 65.689 44.950 68.930 1.00 72.73 H +ATOM 4320 HD2 LYS B 67 66.949 45.763 70.859 1.00 86.20 H +ATOM 4321 HD3 LYS B 67 65.916 47.205 70.964 1.00 86.20 H +ATOM 4322 HE2 LYS B 67 63.948 45.821 71.385 1.00103.51 H +ATOM 4323 HE3 LYS B 67 64.859 44.352 71.098 1.00103.51 H +ATOM 4324 HZ1 LYS B 67 64.557 44.856 73.484 1.00 88.79 H +ATOM 4325 HZ2 LYS B 67 66.123 44.751 73.082 1.00 88.79 H +ATOM 4326 HZ3 LYS B 67 65.436 46.210 73.329 1.00 88.79 H +ATOM 4327 N SER B 68 68.127 44.912 66.355 1.00 50.23 N +ATOM 4328 CA SER B 68 68.710 43.578 66.165 1.00 55.90 C +ATOM 4329 C SER B 68 70.172 43.548 66.599 1.00 53.50 C +ATOM 4330 O SER B 68 71.021 44.176 65.964 1.00 54.29 O +ATOM 4331 CB SER B 68 68.600 43.149 64.697 1.00 66.13 C +ATOM 4332 OG SER B 68 69.179 41.869 64.521 1.00 64.91 O +ATOM 4333 H SER B 68 68.756 45.685 66.513 1.00 60.27 H +ATOM 4334 HA SER B 68 68.155 42.858 66.766 1.00 67.09 H +ATOM 4335 HB2 SER B 68 67.550 43.109 64.407 1.00 79.35 H +ATOM 4336 HB3 SER B 68 69.112 43.872 64.063 1.00 79.35 H +ATOM 4337 HG SER B 68 69.050 41.607 63.610 1.00 77.89 H +ATOM 4338 N GLY B 69 70.464 42.816 67.674 1.00 56.18 N +ATOM 4339 CA GLY B 69 71.820 42.566 68.156 1.00 60.54 C +ATOM 4340 C GLY B 69 72.662 43.838 68.222 1.00 68.14 C +ATOM 4341 O GLY B 69 72.316 44.802 68.899 1.00 67.37 O +ATOM 4342 H GLY B 69 69.706 42.348 68.151 1.00 67.42 H +ATOM 4343 HA2 GLY B 69 71.777 42.132 69.153 1.00 72.65 H +ATOM 4344 HA3 GLY B 69 72.303 41.846 67.496 1.00 72.65 H +ATOM 4345 N THR B 70 73.732 43.879 67.432 1.00 61.86 N +ATOM 4346 CA THR B 70 74.652 45.020 67.301 1.00 62.30 C +ATOM 4347 C THR B 70 74.086 46.214 66.507 1.00 59.28 C +ATOM 4348 O THR B 70 74.839 46.968 65.894 1.00 61.09 O +ATOM 4349 CB THR B 70 75.994 44.539 66.720 1.00 64.58 C +ATOM 4350 OG1 THR B 70 75.800 43.990 65.435 1.00 66.10 O +ATOM 4351 CG2 THR B 70 76.646 43.457 67.583 1.00 62.01 C +ATOM 4352 H THR B 70 73.923 43.073 66.857 1.00 74.23 H +ATOM 4353 HA THR B 70 74.851 45.393 68.305 1.00 74.75 H +ATOM 4354 HB THR B 70 76.686 45.377 66.649 1.00 77.50 H +ATOM 4355 HG1 THR B 70 75.714 44.721 64.825 1.00 79.31 H +ATOM 4356 HG21 THR B 70 77.629 43.218 67.182 1.00 74.41 H +ATOM 4357 HG22 THR B 70 76.767 43.824 68.600 1.00 74.41 H +ATOM 4358 HG23 THR B 70 76.045 42.551 67.595 1.00 74.41 H +ATOM 4359 N SER B 71 72.765 46.407 66.451 1.00 57.15 N +ATOM 4360 CA SER B 71 72.123 47.503 65.710 1.00 53.06 C +ATOM 4361 C SER B 71 70.726 47.873 66.235 1.00 54.10 C +ATOM 4362 O SER B 71 70.017 47.044 66.807 1.00 54.38 O +ATOM 4363 CB SER B 71 72.037 47.134 64.228 1.00 51.48 C +ATOM 4364 OG SER B 71 71.097 46.098 64.034 1.00 55.84 O +ATOM 4365 H SER B 71 72.165 45.773 66.957 1.00 68.58 H +ATOM 4366 HA SER B 71 72.744 48.394 65.798 1.00 63.67 H +ATOM 4367 HB2 SER B 71 71.727 48.008 63.657 1.00 61.78 H +ATOM 4368 HB3 SER B 71 73.015 46.813 63.868 1.00 61.78 H +ATOM 4369 HG SER B 71 71.230 45.429 64.708 1.00 67.01 H +ATOM 4370 N ALA B 72 70.327 49.120 65.990 1.00 47.68 N +ATOM 4371 CA ALA B 72 69.046 49.734 66.323 1.00 40.03 C +ATOM 4372 C ALA B 72 68.455 50.420 65.086 1.00 30.95 C +ATOM 4373 O ALA B 72 69.189 50.915 64.232 1.00 35.53 O +ATOM 4374 CB ALA B 72 69.277 50.747 67.444 1.00 41.05 C +ATOM 4375 H ALA B 72 70.959 49.716 65.476 1.00 57.22 H +ATOM 4376 HA ALA B 72 68.345 48.977 66.673 1.00 48.04 H +ATOM 4377 HB1 ALA B 72 68.339 51.233 67.702 1.00 49.25 H +ATOM 4378 HB2 ALA B 72 69.666 50.245 68.326 1.00 49.25 H +ATOM 4379 HB3 ALA B 72 69.990 51.501 67.120 1.00 49.25 H +ATOM 4380 N SER B 73 67.137 50.456 64.946 1.00 28.27 N +ATOM 4381 CA SER B 73 66.539 50.810 63.661 1.00 30.46 C +ATOM 4382 C SER B 73 65.092 51.265 63.754 1.00 31.00 C +ATOM 4383 O SER B 73 64.410 51.136 64.767 1.00 34.06 O +ATOM 4384 CB SER B 73 66.667 49.625 62.696 1.00 39.62 C +ATOM 4385 OG SER B 73 66.166 48.429 63.260 1.00 41.86 O +ATOM 4386 H SER B 73 66.533 50.050 65.646 1.00 33.93 H +ATOM 4387 HA SER B 73 67.085 51.650 63.233 1.00 36.56 H +ATOM 4388 HB2 SER B 73 66.137 49.839 61.768 1.00 47.55 H +ATOM 4389 HB3 SER B 73 67.719 49.477 62.454 1.00 47.55 H +ATOM 4390 HG SER B 73 65.218 48.512 63.381 1.00 50.23 H +ATOM 4391 N LEU B 74 64.625 51.847 62.663 1.00 31.10 N +ATOM 4392 CA LEU B 74 63.304 52.413 62.551 1.00 33.32 C +ATOM 4393 C LEU B 74 62.912 52.456 61.081 1.00 36.41 C +ATOM 4394 O LEU B 74 63.761 52.514 60.192 1.00 39.39 O +ATOM 4395 CB LEU B 74 63.393 53.811 63.161 1.00 35.86 C +ATOM 4396 CG LEU B 74 62.059 54.535 63.361 1.00 41.13 C +ATOM 4397 CD1 LEU B 74 61.920 54.948 64.824 1.00 47.28 C +ATOM 4398 CD2 LEU B 74 61.999 55.783 62.484 1.00 40.21 C +ATOM 4399 H LEU B 74 65.249 52.016 61.888 1.00 37.32 H +ATOM 4400 HA LEU B 74 62.589 51.805 63.105 1.00 39.99 H +ATOM 4401 HB2 LEU B 74 63.893 53.733 64.126 1.00 43.03 H +ATOM 4402 HB3 LEU B 74 64.039 54.405 62.516 1.00 43.03 H +ATOM 4403 HG LEU B 74 61.231 53.875 63.107 1.00 49.35 H +ATOM 4404 HD11 LEU B 74 61.025 55.540 64.980 1.00 56.73 H +ATOM 4405 HD12 LEU B 74 61.871 54.064 65.449 1.00 56.73 H +ATOM 4406 HD13 LEU B 74 62.772 55.547 65.127 1.00 56.73 H +ATOM 4407 HD21 LEU B 74 61.077 56.332 62.668 1.00 48.26 H +ATOM 4408 HD22 LEU B 74 62.832 56.443 62.718 1.00 48.26 H +ATOM 4409 HD23 LEU B 74 62.050 55.496 61.436 1.00 48.26 H +ATOM 4410 N ALA B 75 61.623 52.488 60.805 1.00 40.91 N +ATOM 4411 CA ALA B 75 61.124 52.743 59.466 1.00 48.87 C +ATOM 4412 C ALA B 75 59.826 53.524 59.547 1.00 49.39 C +ATOM 4413 O ALA B 75 59.140 53.502 60.569 1.00 50.82 O +ATOM 4414 CB ALA B 75 60.970 51.422 58.705 1.00 59.33 C +ATOM 4415 H ALA B 75 60.958 52.417 61.559 1.00 49.09 H +ATOM 4416 HA ALA B 75 61.838 53.368 58.932 1.00 58.65 H +ATOM 4417 HB1 ALA B 75 60.640 51.617 57.687 1.00 71.20 H +ATOM 4418 HB2 ALA B 75 61.924 50.898 58.672 1.00 71.20 H +ATOM 4419 HB3 ALA B 75 60.236 50.789 59.197 1.00 71.20 H +ATOM 4420 N ILE B 76 59.507 54.235 58.476 1.00 48.12 N +ATOM 4421 CA ILE B 76 58.366 55.142 58.417 1.00 55.30 C +ATOM 4422 C ILE B 76 57.616 54.934 57.107 1.00 48.52 C +ATOM 4423 O ILE B 76 58.177 54.469 56.120 1.00 49.84 O +ATOM 4424 CB ILE B 76 58.794 56.616 58.634 1.00 63.41 C +ATOM 4425 CG1 ILE B 76 59.811 56.762 59.797 1.00 57.43 C +ATOM 4426 CG2 ILE B 76 57.529 57.479 58.832 1.00 63.55 C +ATOM 4427 CD1 ILE B 76 60.256 58.191 60.137 1.00 51.63 C +ATOM 4428 H ILE B 76 60.114 54.185 57.671 1.00 57.75 H +ATOM 4429 HA ILE B 76 57.676 54.873 59.216 1.00 66.36 H +ATOM 4430 HB ILE B 76 59.297 56.956 57.730 1.00 76.09 H +ATOM 4431 HG12 ILE B 76 59.407 56.297 60.696 1.00 68.92 H +ATOM 4432 HG13 ILE B 76 60.721 56.227 59.528 1.00 68.92 H +ATOM 4433 HG21 ILE B 76 57.764 58.454 59.258 1.00 76.26 H +ATOM 4434 HG22 ILE B 76 57.045 57.665 57.874 1.00 76.26 H +ATOM 4435 HG23 ILE B 76 56.806 56.985 59.480 1.00 76.26 H +ATOM 4436 HD11 ILE B 76 61.070 58.151 60.859 1.00 61.96 H +ATOM 4437 HD12 ILE B 76 60.612 58.695 59.240 1.00 61.96 H +ATOM 4438 HD13 ILE B 76 59.442 58.760 60.585 1.00 61.96 H +ATOM 4439 N SER B 77 56.343 55.291 57.106 1.00 48.55 N +ATOM 4440 CA SER B 77 55.405 55.187 55.996 1.00 52.46 C +ATOM 4441 C SER B 77 54.486 56.414 55.991 1.00 60.15 C +ATOM 4442 O SER B 77 54.292 57.034 57.034 1.00 61.11 O +ATOM 4443 CB SER B 77 54.621 53.883 56.174 1.00 54.92 C +ATOM 4444 OG SER B 77 53.904 53.874 57.398 1.00 58.60 O +ATOM 4445 H SER B 77 55.969 55.667 57.965 1.00 58.26 H +ATOM 4446 HA SER B 77 55.945 55.160 55.050 1.00 62.95 H +ATOM 4447 HB2 SER B 77 53.925 53.758 55.346 1.00 65.90 H +ATOM 4448 HB3 SER B 77 55.320 53.047 56.167 1.00 65.90 H +ATOM 4449 HG SER B 77 54.497 54.128 58.108 1.00 70.32 H +ATOM 4450 N GLY B 78 53.933 56.810 54.841 1.00 60.39 N +ATOM 4451 CA GLY B 78 53.039 57.972 54.780 1.00 58.82 C +ATOM 4452 C GLY B 78 53.690 59.282 55.253 1.00 60.99 C +ATOM 4453 O GLY B 78 53.045 60.062 55.949 1.00 63.05 O +ATOM 4454 H GLY B 78 54.119 56.299 53.991 1.00 72.46 H +ATOM 4455 HA2 GLY B 78 52.694 58.106 53.756 1.00 70.59 H +ATOM 4456 HA3 GLY B 78 52.167 57.782 55.404 1.00 70.59 H +ATOM 4457 N LEU B 79 54.972 59.506 54.948 1.00 54.50 N +ATOM 4458 CA LEU B 79 55.750 60.656 55.444 1.00 48.20 C +ATOM 4459 C LEU B 79 55.141 62.022 55.089 1.00 49.19 C +ATOM 4460 O LEU B 79 54.523 62.185 54.035 1.00 55.37 O +ATOM 4461 CB LEU B 79 57.184 60.549 54.910 1.00 50.98 C +ATOM 4462 CG LEU B 79 57.982 59.464 55.642 1.00 54.30 C +ATOM 4463 CD1 LEU B 79 59.186 59.021 54.829 1.00 55.63 C +ATOM 4464 CD2 LEU B 79 58.493 60.018 56.966 1.00 50.41 C +ATOM 4465 H LEU B 79 55.454 58.806 54.404 1.00 65.40 H +ATOM 4466 HA LEU B 79 55.772 60.604 56.532 1.00 57.84 H +ATOM 4467 HB2 LEU B 79 57.145 60.324 53.845 1.00 61.17 H +ATOM 4468 HB3 LEU B 79 57.694 61.505 55.023 1.00 61.17 H +ATOM 4469 HG LEU B 79 57.358 58.590 55.820 1.00 65.17 H +ATOM 4470 HD11 LEU B 79 59.718 58.237 55.366 1.00 66.75 H +ATOM 4471 HD12 LEU B 79 58.851 58.629 53.870 1.00 66.75 H +ATOM 4472 HD13 LEU B 79 59.856 59.862 54.658 1.00 66.75 H +ATOM 4473 HD21 LEU B 79 59.151 59.294 57.446 1.00 60.50 H +ATOM 4474 HD22 LEU B 79 59.060 60.932 56.798 1.00 60.50 H +ATOM 4475 HD23 LEU B 79 57.658 60.236 57.629 1.00 60.50 H +ATOM 4476 N ARG B 80 55.344 63.012 55.963 1.00 45.74 N +ATOM 4477 CA ARG B 80 54.642 64.306 55.951 1.00 50.15 C +ATOM 4478 C ARG B 80 55.592 65.477 56.216 1.00 51.47 C +ATOM 4479 O ARG B 80 56.689 65.301 56.723 1.00 51.98 O +ATOM 4480 CB ARG B 80 53.522 64.206 57.000 1.00 54.43 C +ATOM 4481 CG ARG B 80 52.502 65.352 56.975 1.00 58.60 C +ATOM 4482 CD ARG B 80 51.376 65.140 57.987 1.00 63.29 C +ATOM 4483 NE ARG B 80 51.862 65.216 59.380 1.00 69.39 N +ATOM 4484 CZ ARG B 80 52.164 64.216 60.184 1.00 85.19 C +ATOM 4485 NH1 ARG B 80 52.548 64.452 61.398 1.00 87.77 N +ATOM 4486 NH2 ARG B 80 52.092 62.972 59.816 1.00 89.88 N +ATOM 4487 H ARG B 80 55.860 62.789 56.801 1.00 54.89 H +ATOM 4488 HA ARG B 80 54.191 64.468 54.972 1.00 60.19 H +ATOM 4489 HB2 ARG B 80 52.980 63.278 56.825 1.00 65.31 H +ATOM 4490 HB3 ARG B 80 53.980 64.152 57.987 1.00 65.31 H +ATOM 4491 HG2 ARG B 80 52.981 66.300 57.217 1.00 70.32 H +ATOM 4492 HG3 ARG B 80 52.069 65.418 55.978 1.00 70.32 H +ATOM 4493 HD2 ARG B 80 50.639 65.927 57.836 1.00 75.95 H +ATOM 4494 HD3 ARG B 80 50.877 64.191 57.794 1.00 75.95 H +ATOM 4495 HE ARG B 80 51.897 66.131 59.801 1.00 83.26 H +ATOM 4496 HH11 ARG B 80 52.549 65.401 61.742 1.00105.33 H +ATOM 4497 HH12 ARG B 80 52.768 63.699 62.031 1.00105.33 H +ATOM 4498 HH21 ARG B 80 51.742 62.753 58.897 1.00107.85 H +ATOM 4499 HH22 ARG B 80 52.311 62.242 60.476 1.00107.85 H +ATOM 4500 N SER B 81 55.166 66.695 55.916 1.00 51.94 N +ATOM 4501 CA SER B 81 55.897 67.945 56.180 1.00 52.34 C +ATOM 4502 C SER B 81 56.465 68.085 57.605 1.00 47.03 C +ATOM 4503 O SER B 81 57.602 68.510 57.777 1.00 42.51 O +ATOM 4504 CB SER B 81 54.939 69.103 55.896 1.00 54.98 C +ATOM 4505 OG SER B 81 53.738 68.950 56.637 1.00 55.46 O +ATOM 4506 H SER B 81 54.253 66.785 55.496 1.00 62.32 H +ATOM 4507 HA SER B 81 56.733 68.020 55.485 1.00 62.81 H +ATOM 4508 HB2 SER B 81 55.419 70.045 56.158 1.00 65.98 H +ATOM 4509 HB3 SER B 81 54.705 69.117 54.833 1.00 65.98 H +ATOM 4510 HG SER B 81 53.167 69.691 56.434 1.00 66.55 H +ATOM 4511 N GLU B 82 55.735 67.670 58.639 1.00 47.72 N +ATOM 4512 CA GLU B 82 56.233 67.662 60.025 1.00 45.05 C +ATOM 4513 C GLU B 82 57.374 66.667 60.261 1.00 42.79 C +ATOM 4514 O GLU B 82 58.040 66.701 61.291 1.00 44.27 O +ATOM 4515 CB GLU B 82 55.098 67.331 60.994 1.00 48.75 C +ATOM 4516 CG GLU B 82 54.021 68.417 61.034 1.00 55.87 C +ATOM 4517 CD GLU B 82 53.049 68.165 62.190 1.00 65.36 C +ATOM 4518 OE1 GLU B 82 52.529 67.032 62.288 1.00 65.22 O +ATOM 4519 OE2 GLU B 82 52.787 69.091 62.989 1.00 65.92 O +ATOM 4520 H GLU B 82 54.777 67.408 58.462 1.00 57.26 H +ATOM 4521 HA GLU B 82 56.616 68.652 60.271 1.00 54.06 H +ATOM 4522 HB2 GLU B 82 54.654 66.377 60.712 1.00 58.50 H +ATOM 4523 HB3 GLU B 82 55.513 67.238 61.996 1.00 58.50 H +ATOM 4524 HG2 GLU B 82 54.501 69.388 61.154 1.00 67.05 H +ATOM 4525 HG3 GLU B 82 53.477 68.419 60.090 1.00 67.05 H +ATOM 4526 N ASP B 83 57.615 65.770 59.316 1.00 40.52 N +ATOM 4527 CA ASP B 83 58.761 64.879 59.322 1.00 42.43 C +ATOM 4528 C ASP B 83 59.989 65.483 58.639 1.00 40.58 C +ATOM 4529 O ASP B 83 61.067 64.893 58.699 1.00 38.69 O +ATOM 4530 CB ASP B 83 58.373 63.533 58.711 1.00 53.47 C +ATOM 4531 CG ASP B 83 57.112 62.956 59.350 1.00 57.43 C +ATOM 4532 OD1 ASP B 83 57.014 62.990 60.599 1.00 50.58 O +ATOM 4533 OD2 ASP B 83 56.260 62.435 58.598 1.00 56.63 O +ATOM 4534 H ASP B 83 57.058 65.787 58.474 1.00 48.62 H +ATOM 4535 HA ASP B 83 59.049 64.698 60.357 1.00 50.91 H +ATOM 4536 HB2 ASP B 83 58.246 63.640 57.634 1.00 64.17 H +ATOM 4537 HB3 ASP B 83 59.191 62.828 58.856 1.00 64.17 H +ATOM 4538 N GLU B 84 59.873 66.659 58.025 1.00 37.13 N +ATOM 4539 CA GLU B 84 61.038 67.422 57.603 1.00 34.95 C +ATOM 4540 C GLU B 84 61.858 67.801 58.832 1.00 32.72 C +ATOM 4541 O GLU B 84 61.433 68.643 59.618 1.00 38.24 O +ATOM 4542 CB GLU B 84 60.600 68.696 56.865 1.00 38.84 C +ATOM 4543 CG GLU B 84 61.807 69.447 56.288 1.00 46.60 C +ATOM 4544 CD GLU B 84 62.541 68.607 55.236 1.00 49.73 C +ATOM 4545 OE1 GLU B 84 61.887 67.763 54.593 1.00 42.49 O +ATOM 4546 OE2 GLU B 84 63.763 68.794 55.042 1.00 48.49 O +ATOM 4547 H GLU B 84 58.977 67.125 58.024 1.00 44.56 H +ATOM 4548 HA GLU B 84 61.643 66.798 56.946 1.00 41.94 H +ATOM 4549 HB2 GLU B 84 59.907 68.442 56.064 1.00 46.61 H +ATOM 4550 HB3 GLU B 84 60.079 69.363 57.551 1.00 46.61 H +ATOM 4551 HG2 GLU B 84 61.451 70.367 55.827 1.00 55.92 H +ATOM 4552 HG3 GLU B 84 62.486 69.725 57.093 1.00 55.92 H +ATOM 4553 N ALA B 85 63.011 67.166 59.033 1.00 31.30 N +ATOM 4554 CA ALA B 85 63.729 67.308 60.293 1.00 30.38 C +ATOM 4555 C ALA B 85 65.184 66.820 60.257 1.00 26.96 C +ATOM 4556 O ALA B 85 65.642 66.125 59.353 1.00 28.60 O +ATOM 4557 CB ALA B 85 62.924 66.565 61.373 1.00 36.10 C +ATOM 4558 H ALA B 85 63.344 66.487 58.365 1.00 37.56 H +ATOM 4559 HA ALA B 85 63.760 68.363 60.560 1.00 36.46 H +ATOM 4560 HB1 ALA B 85 63.495 66.497 62.294 1.00 43.32 H +ATOM 4561 HB2 ALA B 85 61.996 67.091 61.585 1.00 43.32 H +ATOM 4562 HB3 ALA B 85 62.674 65.563 61.033 1.00 43.32 H +ATOM 4563 N ASP B 86 65.896 67.154 61.322 1.00 21.86 N +ATOM 4564 CA ASP B 86 67.052 66.402 61.775 1.00 20.68 C +ATOM 4565 C ASP B 86 66.585 65.400 62.842 1.00 22.73 C +ATOM 4566 O ASP B 86 65.790 65.758 63.714 1.00 27.23 O +ATOM 4567 CB ASP B 86 68.080 67.418 62.287 1.00 25.56 C +ATOM 4568 CG ASP B 86 69.498 66.860 62.407 1.00 36.92 C +ATOM 4569 OD1 ASP B 86 69.660 65.631 62.349 1.00 37.50 O +ATOM 4570 OD2 ASP B 86 70.438 67.673 62.528 1.00 42.31 O +ATOM 4571 H ASP B 86 65.457 67.754 62.003 1.00 26.24 H +ATOM 4572 HA ASP B 86 67.486 65.851 60.941 1.00 24.82 H +ATOM 4573 HB2 ASP B 86 68.112 68.254 61.590 1.00 30.67 H +ATOM 4574 HB3 ASP B 86 67.754 67.803 63.251 1.00 30.67 H +ATOM 4575 N TYR B 87 67.019 64.146 62.755 1.00 21.85 N +ATOM 4576 CA TYR B 87 66.589 63.063 63.647 1.00 20.67 C +ATOM 4577 C TYR B 87 67.721 62.548 64.526 1.00 22.31 C +ATOM 4578 O TYR B 87 68.811 62.282 64.029 1.00 26.08 O +ATOM 4579 CB TYR B 87 66.039 61.898 62.835 1.00 19.25 C +ATOM 4580 CG TYR B 87 64.690 62.192 62.237 1.00 22.05 C +ATOM 4581 CD1 TYR B 87 64.609 62.890 61.025 1.00 29.42 C +ATOM 4582 CD2 TYR B 87 63.522 61.776 62.898 1.00 22.46 C +ATOM 4583 CE1 TYR B 87 63.353 63.163 60.459 1.00 30.77 C +ATOM 4584 CE2 TYR B 87 62.263 62.064 62.347 1.00 21.87 C +ATOM 4585 CZ TYR B 87 62.188 62.765 61.131 1.00 25.09 C +ATOM 4586 OH TYR B 87 60.994 63.120 60.631 1.00 29.77 O +ATOM 4587 H TYR B 87 67.699 63.934 62.040 1.00 26.22 H +ATOM 4588 HA TYR B 87 65.793 63.418 64.301 1.00 24.80 H +ATOM 4589 HB2 TYR B 87 66.741 61.646 62.041 1.00 23.09 H +ATOM 4590 HB3 TYR B 87 65.946 61.025 63.480 1.00 23.09 H +ATOM 4591 HD1 TYR B 87 65.511 63.215 60.528 1.00 35.30 H +ATOM 4592 HD2 TYR B 87 63.598 61.238 63.831 1.00 26.95 H +ATOM 4593 HE1 TYR B 87 63.281 63.711 59.531 1.00 36.93 H +ATOM 4594 HE2 TYR B 87 61.358 61.751 62.845 1.00 26.24 H +ATOM 4595 HH TYR B 87 61.097 63.732 59.900 1.00 35.73 H +ATOM 4596 N TYR B 88 67.458 62.332 65.814 1.00 19.47 N +ATOM 4597 CA TYR B 88 68.465 61.830 66.744 1.00 17.22 C +ATOM 4598 C TYR B 88 67.989 60.565 67.454 1.00 21.81 C +ATOM 4599 O TYR B 88 66.976 60.582 68.147 1.00 27.68 O +ATOM 4600 CB TYR B 88 68.831 62.927 67.743 1.00 20.55 C +ATOM 4601 CG TYR B 88 69.123 64.300 67.174 1.00 19.66 C +ATOM 4602 CD1 TYR B 88 68.058 65.170 66.884 1.00 21.57 C +ATOM 4603 CD2 TYR B 88 70.445 64.744 67.017 1.00 20.28 C +ATOM 4604 CE1 TYR B 88 68.314 66.472 66.428 1.00 21.86 C +ATOM 4605 CE2 TYR B 88 70.705 66.041 66.544 1.00 18.06 C +ATOM 4606 CZ TYR B 88 69.638 66.908 66.253 1.00 17.04 C +ATOM 4607 OH TYR B 88 69.881 68.166 65.815 1.00 21.84 O +ATOM 4608 H TYR B 88 66.529 62.522 66.159 1.00 23.37 H +ATOM 4609 HA TYR B 88 69.378 61.579 66.206 1.00 20.67 H +ATOM 4610 HB2 TYR B 88 68.007 63.044 68.445 1.00 24.66 H +ATOM 4611 HB3 TYR B 88 69.692 62.593 68.321 1.00 24.66 H +ATOM 4612 HD1 TYR B 88 67.038 64.846 67.024 1.00 25.88 H +ATOM 4613 HD2 TYR B 88 71.267 64.092 67.272 1.00 24.33 H +ATOM 4614 HE1 TYR B 88 67.494 67.138 66.206 1.00 26.23 H +ATOM 4615 HE2 TYR B 88 71.723 66.377 66.419 1.00 21.67 H +ATOM 4616 HH TYR B 88 70.709 68.211 65.350 1.00 26.21 H +ATOM 4617 N CYS B 89 68.745 59.477 67.341 1.00 21.06 N +ATOM 4618 CA CYS B 89 68.436 58.170 67.933 1.00 23.39 C +ATOM 4619 C CYS B 89 68.952 58.026 69.376 1.00 24.87 C +ATOM 4620 O CYS B 89 69.302 56.936 69.814 1.00 32.59 O +ATOM 4621 CB CYS B 89 69.016 57.071 67.029 1.00 31.04 C +ATOM 4622 SG CYS B 89 68.490 57.281 65.310 1.00 31.01 S +ATOM 4623 H CYS B 89 69.543 59.516 66.725 1.00 25.27 H +ATOM 4624 HA CYS B 89 67.353 58.049 67.968 1.00 28.07 H +ATOM 4625 HB2 CYS B 89 70.104 57.115 67.073 1.00 37.25 H +ATOM 4626 HB3 CYS B 89 68.702 56.091 67.387 1.00 37.25 H +ATOM 4627 HG CYS B 89 67.257 56.781 65.413 1.00 37.21 H +ATOM 4628 N ALA B 90 69.120 59.140 70.077 1.00 25.46 N +ATOM 4629 CA ALA B 90 70.032 59.301 71.209 1.00 32.29 C +ATOM 4630 C ALA B 90 69.691 58.509 72.499 1.00 33.12 C +ATOM 4631 O ALA B 90 68.653 57.857 72.605 1.00 33.16 O +ATOM 4632 CB ALA B 90 70.081 60.811 71.469 1.00 37.38 C +ATOM 4633 H ALA B 90 68.730 59.983 69.681 1.00 30.56 H +ATOM 4634 HA ALA B 90 71.027 58.983 70.896 1.00 38.75 H +ATOM 4635 HB1 ALA B 90 70.694 61.039 72.339 1.00 44.85 H +ATOM 4636 HB2 ALA B 90 70.494 61.324 70.602 1.00 44.85 H +ATOM 4637 HB3 ALA B 90 69.076 61.187 71.658 1.00 44.85 H +ATOM 4638 N SER B 91 70.568 58.615 73.512 1.00 32.70 N +ATOM 4639 CA SER B 91 70.363 58.093 74.878 1.00 28.38 C +ATOM 4640 C SER B 91 70.633 59.126 76.002 1.00 34.50 C +ATOM 4641 O SER B 91 70.973 58.747 77.120 1.00 40.54 O +ATOM 4642 CB SER B 91 71.131 56.781 75.076 1.00 21.67 C +ATOM 4643 OG SER B 91 72.525 57.005 75.091 1.00 31.16 O +ATOM 4644 H SER B 91 71.441 59.086 73.326 1.00 39.24 H +ATOM 4645 HA SER B 91 69.308 57.835 74.970 1.00 34.06 H +ATOM 4646 HB2 SER B 91 70.832 56.323 76.018 1.00 26.01 H +ATOM 4647 HB3 SER B 91 70.881 56.095 74.268 1.00 26.01 H +ATOM 4648 HG SER B 91 72.765 57.588 74.369 1.00 37.39 H +ATOM 4649 N TRP B 92 70.413 60.430 75.738 1.00 37.32 N +ATOM 4650 CA TRP B 92 70.350 61.526 76.736 1.00 20.26 C +ATOM 4651 C TRP B 92 71.633 61.769 77.543 1.00 18.45 C +ATOM 4652 O TRP B 92 71.588 62.225 78.682 1.00 19.82 O +ATOM 4653 CB TRP B 92 69.142 61.351 77.666 1.00 22.47 C +ATOM 4654 CG TRP B 92 67.794 61.174 77.051 1.00 26.87 C +ATOM 4655 CD1 TRP B 92 67.370 60.129 76.312 1.00 34.67 C +ATOM 4656 CD2 TRP B 92 66.631 62.023 77.203 1.00 23.56 C +ATOM 4657 NE1 TRP B 92 66.037 60.272 76.002 1.00 33.65 N +ATOM 4658 CE2 TRP B 92 65.524 61.417 76.541 1.00 28.40 C +ATOM 4659 CE3 TRP B 92 66.397 63.253 77.835 1.00 27.67 C +ATOM 4660 CZ2 TRP B 92 64.265 62.020 76.461 1.00 31.34 C +ATOM 4661 CZ3 TRP B 92 65.122 63.842 77.795 1.00 35.62 C +ATOM 4662 CH2 TRP B 92 64.057 63.243 77.104 1.00 33.47 C +ATOM 4663 H TRP B 92 70.102 60.660 74.806 1.00 44.78 H +ATOM 4664 HA TRP B 92 70.177 62.451 76.186 1.00 24.31 H +ATOM 4665 HB2 TRP B 92 69.325 60.497 78.317 1.00 26.96 H +ATOM 4666 HB3 TRP B 92 69.080 62.227 78.311 1.00 26.96 H +ATOM 4667 HD1 TRP B 92 67.971 59.275 76.039 1.00 41.60 H +ATOM 4668 HE1 TRP B 92 65.510 59.605 75.459 1.00 40.38 H +ATOM 4669 HE3 TRP B 92 67.204 63.748 78.354 1.00 33.21 H +ATOM 4670 HZ2 TRP B 92 63.466 61.540 75.916 1.00 37.61 H +ATOM 4671 HZ3 TRP B 92 64.968 64.788 78.291 1.00 42.74 H +ATOM 4672 HH2 TRP B 92 63.093 63.728 77.067 1.00 40.16 H +ATOM 4673 N ASP B 93 72.793 61.442 76.997 1.00 22.27 N +ATOM 4674 CA ASP B 93 74.070 61.507 77.712 1.00 26.27 C +ATOM 4675 C ASP B 93 75.230 61.575 76.707 1.00 39.15 C +ATOM 4676 O ASP B 93 75.057 61.313 75.517 1.00 36.55 O +ATOM 4677 CB ASP B 93 74.184 60.292 78.663 1.00 43.08 C +ATOM 4678 CG ASP B 93 75.141 60.484 79.852 1.00 34.27 C +ATOM 4679 OD1 ASP B 93 76.141 61.224 79.731 1.00 54.34 O +ATOM 4680 OD2 ASP B 93 74.870 59.896 80.925 1.00 37.08 O +ATOM 4681 H ASP B 93 72.812 61.084 76.053 1.00 26.73 H +ATOM 4682 HA ASP B 93 74.092 62.417 78.311 1.00 31.53 H +ATOM 4683 HB2 ASP B 93 73.200 60.073 79.076 1.00 51.70 H +ATOM 4684 HB3 ASP B 93 74.488 59.412 78.099 1.00 51.70 H +ATOM 4685 N ALA B 94 76.409 61.953 77.179 1.00 42.36 N +ATOM 4686 CA ALA B 94 77.658 61.871 76.445 1.00 53.56 C +ATOM 4687 C ALA B 94 78.509 60.662 76.887 1.00 54.12 C +ATOM 4688 O ALA B 94 79.113 60.016 76.036 1.00 59.86 O +ATOM 4689 CB ALA B 94 78.391 63.203 76.637 1.00 50.80 C +ATOM 4690 H ALA B 94 76.464 62.121 78.172 1.00 50.83 H +ATOM 4691 HA ALA B 94 77.455 61.760 75.381 1.00 64.27 H +ATOM 4692 HB1 ALA B 94 79.326 63.189 76.077 1.00 60.96 H +ATOM 4693 HB2 ALA B 94 77.774 64.020 76.266 1.00 60.96 H +ATOM 4694 HB3 ALA B 94 78.608 63.367 77.692 1.00 60.96 H +ATOM 4695 N SER B 95 78.552 60.350 78.194 1.00 54.25 N +ATOM 4696 CA SER B 95 79.326 59.255 78.823 1.00 65.39 C +ATOM 4697 C SER B 95 80.733 59.023 78.214 1.00 70.16 C +ATOM 4698 O SER B 95 81.444 59.987 77.918 1.00 68.49 O +ATOM 4699 CB SER B 95 78.443 57.998 78.880 1.00 67.99 C +ATOM 4700 OG SER B 95 79.004 57.000 79.714 1.00 75.41 O +ATOM 4701 H SER B 95 77.966 60.895 78.809 1.00 65.10 H +ATOM 4702 HA SER B 95 79.505 59.549 79.856 1.00 78.47 H +ATOM 4703 HB2 SER B 95 77.457 58.264 79.258 1.00 81.59 H +ATOM 4704 HB3 SER B 95 78.324 57.594 77.876 1.00 81.59 H +ATOM 4705 HG SER B 95 78.744 57.176 80.617 1.00 90.49 H +ATOM 4706 N LEU B 96 81.170 57.763 78.083 1.00 73.81 N +ATOM 4707 CA LEU B 96 82.507 57.351 77.618 1.00 77.90 C +ATOM 4708 C LEU B 96 82.570 56.987 76.119 1.00 75.06 C +ATOM 4709 O LEU B 96 83.598 57.217 75.477 1.00 78.28 O +ATOM 4710 CB LEU B 96 82.982 56.148 78.469 1.00 93.02 C +ATOM 4711 CG LEU B 96 83.163 56.414 79.980 1.00 97.29 C +ATOM 4712 CD1 LEU B 96 83.358 55.101 80.735 1.00106.36 C +ATOM 4713 CD2 LEU B 96 84.372 57.303 80.260 1.00107.63 C +ATOM 4714 H LEU B 96 80.561 57.045 78.449 1.00 88.57 H +ATOM 4715 HA LEU B 96 83.207 58.173 77.767 1.00 93.48 H +ATOM 4716 HB2 LEU B 96 82.258 55.344 78.348 1.00111.62 H +ATOM 4717 HB3 LEU B 96 83.930 55.791 78.070 1.00111.62 H +ATOM 4718 HG LEU B 96 82.275 56.899 80.378 1.00116.75 H +ATOM 4719 HD11 LEU B 96 83.476 55.300 81.799 1.00127.64 H +ATOM 4720 HD12 LEU B 96 82.487 54.466 80.595 1.00127.64 H +ATOM 4721 HD13 LEU B 96 84.241 54.585 80.367 1.00127.64 H +ATOM 4722 HD21 LEU B 96 84.473 57.458 81.332 1.00129.15 H +ATOM 4723 HD22 LEU B 96 85.276 56.837 79.879 1.00129.15 H +ATOM 4724 HD23 LEU B 96 84.238 58.272 79.786 1.00129.15 H +ATOM 4725 N ARG B 97 81.507 56.398 75.552 1.00 75.82 N +ATOM 4726 CA ARG B 97 81.467 55.920 74.153 1.00 72.83 C +ATOM 4727 C ARG B 97 81.484 57.097 73.164 1.00 66.24 C +ATOM 4728 O ARG B 97 81.013 58.184 73.485 1.00 68.66 O +ATOM 4729 CB ARG B 97 80.245 55.011 73.919 1.00 71.08 C +ATOM 4730 CG ARG B 97 80.033 53.948 75.015 1.00 74.67 C +ATOM 4731 CD ARG B 97 79.107 52.802 74.582 1.00 70.85 C +ATOM 4732 NE ARG B 97 77.765 53.252 74.139 1.00 62.98 N +ATOM 4733 CZ ARG B 97 76.642 53.253 74.833 1.00 48.47 C +ATOM 4734 NH1 ARG B 97 75.520 53.552 74.259 1.00 50.23 N +ATOM 4735 NH2 ARG B 97 76.601 52.961 76.094 1.00 45.56 N +ATOM 4736 H ARG B 97 80.687 56.272 76.127 1.00 90.98 H +ATOM 4737 HA ARG B 97 82.367 55.331 73.974 1.00 87.40 H +ATOM 4738 HB2 ARG B 97 79.347 55.625 73.862 1.00 85.30 H +ATOM 4739 HB3 ARG B 97 80.362 54.520 72.953 1.00 85.30 H +ATOM 4740 HG2 ARG B 97 80.997 53.523 75.292 1.00 89.60 H +ATOM 4741 HG3 ARG B 97 79.606 54.422 75.898 1.00 89.60 H +ATOM 4742 HD2 ARG B 97 79.592 52.269 73.765 1.00 85.02 H +ATOM 4743 HD3 ARG B 97 79.013 52.102 75.411 1.00 85.02 H +ATOM 4744 HE ARG B 97 77.677 53.582 73.190 1.00 75.57 H +ATOM 4745 HH11 ARG B 97 75.491 53.776 73.276 1.00 60.28 H +ATOM 4746 HH12 ARG B 97 74.671 53.579 74.802 1.00 60.28 H +ATOM 4747 HH21 ARG B 97 77.455 52.720 76.573 1.00 54.68 H +ATOM 4748 HH22 ARG B 97 75.727 52.959 76.594 1.00 54.68 H +ATOM 4749 N GLY B 98 81.992 56.907 71.947 1.00 64.47 N +ATOM 4750 CA GLY B 98 82.109 57.998 70.965 1.00 59.65 C +ATOM 4751 C GLY B 98 80.764 58.602 70.555 1.00 56.68 C +ATOM 4752 O GLY B 98 80.647 59.819 70.422 1.00 59.00 O +ATOM 4753 H GLY B 98 82.381 56.009 71.700 1.00 77.36 H +ATOM 4754 HA2 GLY B 98 82.735 58.788 71.376 1.00 71.59 H +ATOM 4755 HA3 GLY B 98 82.591 57.617 70.067 1.00 71.59 H +ATOM 4756 N TYR B 99 79.736 57.763 70.427 1.00 48.12 N +ATOM 4757 CA TYR B 99 78.344 58.163 70.244 1.00 48.99 C +ATOM 4758 C TYR B 99 77.525 57.783 71.487 1.00 56.43 C +ATOM 4759 O TYR B 99 77.491 56.605 71.836 1.00 54.42 O +ATOM 4760 CB TYR B 99 77.769 57.439 69.027 1.00 48.86 C +ATOM 4761 CG TYR B 99 78.147 57.946 67.649 1.00 52.06 C +ATOM 4762 CD1 TYR B 99 79.387 57.619 67.079 1.00 52.17 C +ATOM 4763 CD2 TYR B 99 77.186 58.613 66.870 1.00 52.06 C +ATOM 4764 CE1 TYR B 99 79.644 57.903 65.724 1.00 56.77 C +ATOM 4765 CE2 TYR B 99 77.440 58.900 65.517 1.00 50.55 C +ATOM 4766 CZ TYR B 99 78.664 58.535 64.936 1.00 51.75 C +ATOM 4767 OH TYR B 99 78.859 58.727 63.608 1.00 51.16 O +ATOM 4768 H TYR B 99 79.921 56.780 70.561 1.00 57.75 H +ATOM 4769 HA TYR B 99 78.265 59.237 70.078 1.00 58.79 H +ATOM 4770 HB2 TYR B 99 78.047 56.388 69.089 1.00 58.63 H +ATOM 4771 HB3 TYR B 99 76.683 57.485 69.106 1.00 58.63 H +ATOM 4772 HD1 TYR B 99 80.121 57.083 67.662 1.00 62.60 H +ATOM 4773 HD2 TYR B 99 76.233 58.878 67.303 1.00 62.47 H +ATOM 4774 HE1 TYR B 99 80.583 57.608 65.281 1.00 68.13 H +ATOM 4775 HE2 TYR B 99 76.698 59.389 64.904 1.00 60.66 H +ATOM 4776 HH TYR B 99 79.782 58.638 63.372 1.00 61.39 H +ATOM 4777 N VAL B 100 76.826 58.753 72.103 1.00 57.71 N +ATOM 4778 CA VAL B 100 75.811 58.565 73.181 1.00 45.30 C +ATOM 4779 C VAL B 100 74.617 59.537 73.050 1.00 35.35 C +ATOM 4780 O VAL B 100 73.483 59.154 73.356 1.00 35.52 O +ATOM 4781 CB VAL B 100 76.439 58.636 74.590 1.00 39.58 C +ATOM 4782 CG1 VAL B 100 75.466 58.290 75.720 1.00 35.85 C +ATOM 4783 CG2 VAL B 100 77.579 57.628 74.753 1.00 56.43 C +ATOM 4784 H VAL B 100 76.973 59.691 71.763 1.00 69.26 H +ATOM 4785 HA VAL B 100 75.393 57.565 73.074 1.00 54.36 H +ATOM 4786 HB VAL B 100 76.831 59.641 74.743 1.00 47.50 H +ATOM 4787 HG11 VAL B 100 75.957 58.454 76.678 1.00 43.02 H +ATOM 4788 HG12 VAL B 100 74.567 58.905 75.681 1.00 43.02 H +ATOM 4789 HG13 VAL B 100 75.169 57.245 75.652 1.00 43.02 H +ATOM 4790 HG21 VAL B 100 77.949 57.629 75.778 1.00 67.71 H +ATOM 4791 HG22 VAL B 100 77.231 56.627 74.505 1.00 67.71 H +ATOM 4792 HG23 VAL B 100 78.411 57.903 74.107 1.00 67.71 H +ATOM 4793 N PHE B 101 74.827 60.731 72.475 1.00 34.15 N +ATOM 4794 CA PHE B 101 73.765 61.543 71.853 1.00 27.95 C +ATOM 4795 C PHE B 101 73.915 61.640 70.316 1.00 31.24 C +ATOM 4796 O PHE B 101 73.005 61.264 69.578 1.00 29.48 O +ATOM 4797 CB PHE B 101 73.652 62.911 72.544 1.00 19.60 C +ATOM 4798 CG PHE B 101 72.253 63.501 72.497 1.00 15.07 C +ATOM 4799 CD1 PHE B 101 71.652 63.849 71.272 1.00 23.31 C +ATOM 4800 CD2 PHE B 101 71.521 63.650 73.690 1.00 14.74 C +ATOM 4801 CE1 PHE B 101 70.328 64.317 71.240 1.00 13.65 C +ATOM 4802 CE2 PHE B 101 70.196 64.119 73.654 1.00 13.51 C +ATOM 4803 CZ PHE B 101 69.602 64.444 72.430 1.00 0.66 C +ATOM 4804 H PHE B 101 75.779 61.055 72.385 1.00 40.98 H +ATOM 4805 HA PHE B 101 72.818 61.030 72.022 1.00 33.54 H +ATOM 4806 HB2 PHE B 101 73.935 62.799 73.590 1.00 23.52 H +ATOM 4807 HB3 PHE B 101 74.353 63.613 72.095 1.00 23.52 H +ATOM 4808 HD1 PHE B 101 72.200 63.755 70.347 1.00 27.97 H +ATOM 4809 HD2 PHE B 101 71.972 63.393 74.636 1.00 17.68 H +ATOM 4810 HE1 PHE B 101 69.867 64.573 70.298 1.00 16.38 H +ATOM 4811 HE2 PHE B 101 69.629 64.222 74.567 1.00 16.21 H +ATOM 4812 HZ PHE B 101 68.573 64.770 72.411 1.00 0.79 H +ATOM 4813 N GLY B 102 75.093 62.033 69.822 1.00 34.91 N +ATOM 4814 CA GLY B 102 75.468 61.977 68.399 1.00 37.48 C +ATOM 4815 C GLY B 102 74.948 63.125 67.513 1.00 36.09 C +ATOM 4816 O GLY B 102 74.135 63.931 67.959 1.00 34.89 O +ATOM 4817 H GLY B 102 75.782 62.388 70.468 1.00 41.89 H +ATOM 4818 HA2 GLY B 102 76.556 61.976 68.337 1.00 44.98 H +ATOM 4819 HA3 GLY B 102 75.124 61.036 67.973 1.00 44.98 H +ATOM 4820 N PRO B 103 75.446 63.249 66.268 1.00 35.19 N +ATOM 4821 CA PRO B 103 75.229 64.388 65.369 1.00 28.41 C +ATOM 4822 C PRO B 103 73.804 64.570 64.863 1.00 26.64 C +ATOM 4823 O PRO B 103 73.512 65.603 64.270 1.00 30.05 O +ATOM 4824 CB PRO B 103 76.132 64.120 64.163 1.00 30.11 C +ATOM 4825 CG PRO B 103 76.232 62.602 64.141 1.00 35.42 C +ATOM 4826 CD PRO B 103 76.337 62.302 65.629 1.00 38.62 C +ATOM 4827 HA PRO B 103 75.539 65.311 65.858 1.00 34.09 H +ATOM 4828 HB2 PRO B 103 75.724 64.504 63.229 1.00 36.13 H +ATOM 4829 HB3 PRO B 103 77.118 64.545 64.343 1.00 36.13 H +ATOM 4830 HG2 PRO B 103 75.322 62.169 63.730 1.00 42.51 H +ATOM 4831 HG3 PRO B 103 77.111 62.260 63.596 1.00 42.51 H +ATOM 4832 HD2 PRO B 103 76.042 61.274 65.828 1.00 46.34 H +ATOM 4833 HD3 PRO B 103 77.356 62.473 65.970 1.00 46.34 H +ATOM 4834 N GLY B 104 72.937 63.582 65.035 1.00 28.00 N +ATOM 4835 CA GLY B 104 71.656 63.516 64.347 1.00 31.83 C +ATOM 4836 C GLY B 104 71.818 62.991 62.925 1.00 29.52 C +ATOM 4837 O GLY B 104 72.798 62.323 62.592 1.00 30.31 O +ATOM 4838 H GLY B 104 73.264 62.735 65.472 1.00 33.60 H +ATOM 4839 HA2 GLY B 104 71.003 62.840 64.898 1.00 38.20 H +ATOM 4840 HA3 GLY B 104 71.184 64.497 64.312 1.00 38.20 H +ATOM 4841 N THR B 105 70.848 63.252 62.065 1.00 27.37 N +ATOM 4842 CA THR B 105 70.836 62.881 60.654 1.00 28.02 C +ATOM 4843 C THR B 105 69.785 63.718 59.930 1.00 30.13 C +ATOM 4844 O THR B 105 68.593 63.610 60.231 1.00 30.86 O +ATOM 4845 CB THR B 105 70.483 61.394 60.495 1.00 35.47 C +ATOM 4846 OG1 THR B 105 71.428 60.547 61.111 1.00 38.18 O +ATOM 4847 CG2 THR B 105 70.452 60.988 59.025 1.00 38.54 C +ATOM 4848 H THR B 105 70.112 63.867 62.380 1.00 32.85 H +ATOM 4849 HA THR B 105 71.814 63.067 60.212 1.00 33.63 H +ATOM 4850 HB THR B 105 69.508 61.203 60.940 1.00 42.57 H +ATOM 4851 HG1 THR B 105 71.954 61.091 61.700 1.00 45.81 H +ATOM 4852 HG21 THR B 105 70.305 59.911 58.965 1.00 46.25 H +ATOM 4853 HG22 THR B 105 69.628 61.478 58.509 1.00 46.25 H +ATOM 4854 HG23 THR B 105 71.392 61.260 58.547 1.00 46.25 H +ATOM 4855 N LYS B 106 70.195 64.517 58.938 1.00 28.76 N +ATOM 4856 CA LYS B 106 69.249 65.271 58.104 1.00 29.79 C +ATOM 4857 C LYS B 106 68.386 64.320 57.305 1.00 23.25 C +ATOM 4858 O LYS B 106 68.927 63.463 56.617 1.00 28.24 O +ATOM 4859 CB LYS B 106 69.976 66.233 57.147 1.00 36.00 C +ATOM 4860 CG LYS B 106 70.022 67.645 57.737 1.00 45.53 C +ATOM 4861 CD LYS B 106 70.571 68.668 56.735 1.00 37.11 C +ATOM 4862 CE LYS B 106 70.539 70.097 57.289 1.00 43.92 C +ATOM 4863 NZ LYS B 106 69.161 70.629 57.445 1.00 48.47 N +ATOM 4864 H LYS B 106 71.180 64.566 58.721 1.00 34.52 H +ATOM 4865 HA LYS B 106 68.581 65.839 58.751 1.00 35.75 H +ATOM 4866 HB2 LYS B 106 70.983 65.878 56.936 1.00 43.20 H +ATOM 4867 HB3 LYS B 106 69.430 66.283 56.206 1.00 43.20 H +ATOM 4868 HG2 LYS B 106 69.010 67.932 58.017 1.00 54.63 H +ATOM 4869 HG3 LYS B 106 70.646 67.641 58.630 1.00 54.63 H +ATOM 4870 HD2 LYS B 106 71.604 68.408 56.511 1.00 44.53 H +ATOM 4871 HD3 LYS B 106 70.000 68.625 55.809 1.00 44.53 H +ATOM 4872 HE2 LYS B 106 71.056 70.109 58.246 1.00 52.71 H +ATOM 4873 HE3 LYS B 106 71.097 70.736 56.609 1.00 52.71 H +ATOM 4874 HZ1 LYS B 106 69.181 71.583 57.769 1.00 58.17 H +ATOM 4875 HZ2 LYS B 106 68.664 70.622 56.571 1.00 58.17 H +ATOM 4876 HZ3 LYS B 106 68.633 70.097 58.117 1.00 58.17 H +ATOM 4877 N VAL B 107 67.071 64.503 57.351 1.00 22.18 N +ATOM 4878 CA VAL B 107 66.143 63.774 56.491 1.00 24.30 C +ATOM 4879 C VAL B 107 65.094 64.709 55.924 1.00 28.42 C +ATOM 4880 O VAL B 107 64.542 65.540 56.641 1.00 30.88 O +ATOM 4881 CB VAL B 107 65.508 62.588 57.221 1.00 30.74 C +ATOM 4882 CG1 VAL B 107 64.426 61.888 56.392 1.00 36.30 C +ATOM 4883 CG2 VAL B 107 66.565 61.540 57.586 1.00 34.22 C +ATOM 4884 H VAL B 107 66.686 65.195 57.977 1.00 26.62 H +ATOM 4885 HA VAL B 107 66.702 63.376 55.644 1.00 29.16 H +ATOM 4886 HB VAL B 107 65.046 62.951 58.138 1.00 36.89 H +ATOM 4887 HG11 VAL B 107 64.054 61.018 56.931 1.00 43.55 H +ATOM 4888 HG12 VAL B 107 63.580 62.554 56.229 1.00 43.55 H +ATOM 4889 HG13 VAL B 107 64.830 61.563 55.434 1.00 43.55 H +ATOM 4890 HG21 VAL B 107 66.092 60.677 58.048 1.00 41.06 H +ATOM 4891 HG22 VAL B 107 67.097 61.221 56.693 1.00 41.06 H +ATOM 4892 HG23 VAL B 107 67.270 61.957 58.302 1.00 41.06 H +ATOM 4893 N THR B 108 64.785 64.539 54.637 1.00 33.29 N +ATOM 4894 CA THR B 108 63.921 65.471 53.909 1.00 35.53 C +ATOM 4895 C THR B 108 62.793 64.810 53.148 1.00 35.01 C +ATOM 4896 O THR B 108 63.010 63.884 52.367 1.00 37.04 O +ATOM 4897 CB THR B 108 64.761 66.341 52.977 1.00 43.86 C +ATOM 4898 OG1 THR B 108 65.465 67.255 53.770 1.00 44.13 O +ATOM 4899 CG2 THR B 108 63.987 67.159 51.948 1.00 50.27 C +ATOM 4900 H THR B 108 65.250 63.806 54.123 1.00 39.95 H +ATOM 4901 HA THR B 108 63.463 66.139 54.639 1.00 42.63 H +ATOM 4902 HB THR B 108 65.467 65.708 52.441 1.00 52.64 H +ATOM 4903 HG1 THR B 108 64.798 67.773 54.226 1.00 52.95 H +ATOM 4904 HG21 THR B 108 64.682 67.770 51.374 1.00 60.32 H +ATOM 4905 HG22 THR B 108 63.465 66.497 51.259 1.00 60.32 H +ATOM 4906 HG23 THR B 108 63.269 67.811 52.442 1.00 60.32 H +ATOM 4907 N VAL B 109 61.598 65.365 53.303 1.00 34.01 N +ATOM 4908 CA VAL B 109 60.460 65.126 52.425 1.00 38.32 C +ATOM 4909 C VAL B 109 60.627 65.960 51.161 1.00 41.92 C +ATOM 4910 O VAL B 109 60.502 67.183 51.170 1.00 41.06 O +ATOM 4911 CB VAL B 109 59.124 65.419 53.122 1.00 39.80 C +ATOM 4912 CG1 VAL B 109 57.954 65.355 52.140 1.00 41.72 C +ATOM 4913 CG2 VAL B 109 58.870 64.361 54.196 1.00 45.45 C +ATOM 4914 H VAL B 109 61.558 66.186 53.889 1.00 40.81 H +ATOM 4915 HA VAL B 109 60.455 64.070 52.153 1.00 45.99 H +ATOM 4916 HB VAL B 109 59.147 66.403 53.584 1.00 47.77 H +ATOM 4917 HG11 VAL B 109 57.010 65.439 52.678 1.00 50.07 H +ATOM 4918 HG12 VAL B 109 58.009 66.184 51.437 1.00 50.07 H +ATOM 4919 HG13 VAL B 109 57.982 64.411 51.601 1.00 50.07 H +ATOM 4920 HG21 VAL B 109 57.891 64.514 54.646 1.00 54.54 H +ATOM 4921 HG22 VAL B 109 58.905 63.368 53.757 1.00 54.54 H +ATOM 4922 HG23 VAL B 109 59.624 64.434 54.974 1.00 54.54 H +ATOM 4923 N LEU B 110 60.919 65.287 50.057 1.00 46.55 N +ATOM 4924 CA LEU B 110 61.193 65.870 48.748 1.00 50.36 C +ATOM 4925 C LEU B 110 59.901 66.350 48.065 1.00 48.88 C +ATOM 4926 O LEU B 110 59.435 65.766 47.091 1.00 49.34 O +ATOM 4927 CB LEU B 110 61.975 64.847 47.900 1.00 51.66 C +ATOM 4928 CG LEU B 110 63.339 64.431 48.477 1.00 43.62 C +ATOM 4929 CD1 LEU B 110 63.881 63.261 47.664 1.00 47.35 C +ATOM 4930 CD2 LEU B 110 64.366 65.559 48.408 1.00 45.91 C +ATOM 4931 H LEU B 110 60.976 64.283 50.145 1.00 55.86 H +ATOM 4932 HA LEU B 110 61.821 66.750 48.883 1.00 60.43 H +ATOM 4933 HB2 LEU B 110 61.361 63.955 47.781 1.00 61.99 H +ATOM 4934 HB3 LEU B 110 62.139 65.263 46.906 1.00 61.99 H +ATOM 4935 HG LEU B 110 63.223 64.110 49.510 1.00 52.35 H +ATOM 4936 HD11 LEU B 110 64.858 62.957 48.037 1.00 56.82 H +ATOM 4937 HD12 LEU B 110 63.198 62.417 47.721 1.00 56.82 H +ATOM 4938 HD13 LEU B 110 63.986 63.555 46.622 1.00 56.82 H +ATOM 4939 HD21 LEU B 110 65.322 65.217 48.802 1.00 55.10 H +ATOM 4940 HD22 LEU B 110 64.505 65.871 47.376 1.00 55.10 H +ATOM 4941 HD23 LEU B 110 64.033 66.415 48.991 1.00 55.10 H +ATOM 4942 N GLY B 111 59.317 67.435 48.576 1.00 45.30 N +ATOM 4943 CA GLY B 111 58.218 68.172 47.929 1.00 46.80 C +ATOM 4944 C GLY B 111 58.630 68.929 46.656 1.00 45.88 C +ATOM 4945 O GLY B 111 57.826 69.655 46.075 1.00 46.83 O +ATOM 4946 H GLY B 111 59.701 67.812 49.430 1.00 54.36 H +ATOM 4947 HA2 GLY B 111 57.425 67.475 47.664 1.00 56.17 H +ATOM 4948 HA3 GLY B 111 57.814 68.895 48.635 1.00 56.17 H +ATOM 4949 N GLN B 112 59.885 68.776 46.236 1.00 42.46 N +ATOM 4950 CA GLN B 112 60.503 69.291 45.018 1.00 39.19 C +ATOM 4951 C GLN B 112 61.384 68.185 44.413 1.00 35.42 C +ATOM 4952 O GLN B 112 61.798 67.273 45.133 1.00 38.92 O +ATOM 4953 CB GLN B 112 61.384 70.510 45.346 1.00 41.60 C +ATOM 4954 CG GLN B 112 60.634 71.727 45.902 1.00 47.82 C +ATOM 4955 CD GLN B 112 59.801 72.426 44.838 1.00 55.21 C +ATOM 4956 OE1 GLN B 112 60.274 73.295 44.120 1.00 59.10 O +ATOM 4957 NE2 GLN B 112 58.543 72.082 44.686 1.00 54.30 N +ATOM 4958 H GLN B 112 60.466 68.148 46.771 1.00 50.95 H +ATOM 4959 HA GLN B 112 59.728 69.572 44.305 1.00 47.02 H +ATOM 4960 HB2 GLN B 112 62.128 70.210 46.083 1.00 49.92 H +ATOM 4961 HB3 GLN B 112 61.920 70.821 44.450 1.00 49.92 H +ATOM 4962 HG2 GLN B 112 60.006 71.440 46.745 1.00 57.39 H +ATOM 4963 HG3 GLN B 112 61.368 72.441 46.274 1.00 57.39 H +ATOM 4964 HE21 GLN B 112 57.995 72.553 43.985 1.00 65.16 H +ATOM 4965 HE22 GLN B 112 58.152 71.336 45.241 1.00 65.16 H +ATOM 4966 N PRO B 113 61.727 68.247 43.120 1.00 34.60 N +ATOM 4967 CA PRO B 113 62.693 67.338 42.520 1.00 32.95 C +ATOM 4968 C PRO B 113 64.094 67.532 43.103 1.00 27.92 C +ATOM 4969 O PRO B 113 64.451 68.634 43.522 1.00 29.46 O +ATOM 4970 CB PRO B 113 62.685 67.646 41.021 1.00 45.28 C +ATOM 4971 CG PRO B 113 61.371 68.390 40.804 1.00 51.60 C +ATOM 4972 CD PRO B 113 61.195 69.143 42.116 1.00 43.29 C +ATOM 4973 HA PRO B 113 62.365 66.311 42.679 1.00 39.54 H +ATOM 4974 HB2 PRO B 113 63.513 68.306 40.766 1.00 54.34 H +ATOM 4975 HB3 PRO B 113 62.731 66.738 40.422 1.00 54.34 H +ATOM 4976 HG2 PRO B 113 61.424 69.065 39.952 1.00 61.92 H +ATOM 4977 HG3 PRO B 113 60.560 67.675 40.684 1.00 61.92 H +ATOM 4978 HD2 PRO B 113 61.777 70.063 42.098 1.00 51.95 H +ATOM 4979 HD3 PRO B 113 60.139 69.361 42.271 1.00 51.95 H +ATOM 4980 N LYS B 114 64.928 66.491 43.060 1.00 23.56 N +ATOM 4981 CA LYS B 114 66.341 66.541 43.454 1.00 22.25 C +ATOM 4982 C LYS B 114 67.198 67.248 42.396 1.00 23.52 C +ATOM 4983 O LYS B 114 68.103 66.668 41.810 1.00 26.95 O +ATOM 4984 CB LYS B 114 66.819 65.120 43.783 1.00 26.35 C +ATOM 4985 CG LYS B 114 68.220 65.128 44.425 1.00 30.15 C +ATOM 4986 CD LYS B 114 69.200 64.227 43.666 1.00 31.61 C +ATOM 4987 CE LYS B 114 70.624 64.428 44.176 1.00 29.53 C +ATOM 4988 NZ LYS B 114 71.577 63.661 43.342 1.00 36.98 N +ATOM 4989 H LYS B 114 64.570 65.622 42.693 1.00 28.28 H +ATOM 4990 HA LYS B 114 66.420 67.136 44.363 1.00 26.70 H +ATOM 4991 HB2 LYS B 114 66.126 64.668 44.490 1.00 31.61 H +ATOM 4992 HB3 LYS B 114 66.809 64.513 42.879 1.00 31.61 H +ATOM 4993 HG2 LYS B 114 68.614 66.142 44.448 1.00 36.18 H +ATOM 4994 HG3 LYS B 114 68.141 64.780 45.453 1.00 36.18 H +ATOM 4995 HD2 LYS B 114 68.902 63.188 43.794 1.00 37.94 H +ATOM 4996 HD3 LYS B 114 69.168 64.469 42.605 1.00 37.94 H +ATOM 4997 HE2 LYS B 114 70.859 65.491 44.136 1.00 35.43 H +ATOM 4998 HE3 LYS B 114 70.673 64.107 45.215 1.00 35.43 H +ATOM 4999 HZ1 LYS B 114 72.530 63.821 43.634 1.00 44.37 H +ATOM 5000 HZ2 LYS B 114 71.384 62.672 43.393 1.00 44.37 H +ATOM 5001 HZ3 LYS B 114 71.501 63.929 42.373 1.00 44.37 H +ATOM 5002 N ALA B 115 66.879 68.497 42.090 1.00 26.43 N +ATOM 5003 CA ALA B 115 67.594 69.278 41.091 1.00 30.91 C +ATOM 5004 C ALA B 115 69.065 69.526 41.498 1.00 29.15 C +ATOM 5005 O ALA B 115 69.370 69.892 42.635 1.00 32.74 O +ATOM 5006 CB ALA B 115 66.818 70.576 40.841 1.00 36.91 C +ATOM 5007 H ALA B 115 66.108 68.919 42.584 1.00 31.71 H +ATOM 5008 HA ALA B 115 67.594 68.713 40.159 1.00 37.09 H +ATOM 5009 HB1 ALA B 115 67.321 71.155 40.068 1.00 44.29 H +ATOM 5010 HB2 ALA B 115 65.807 70.343 40.508 1.00 44.29 H +ATOM 5011 HB3 ALA B 115 66.768 71.165 41.756 1.00 44.29 H +ATOM 5012 N ALA B 116 69.982 69.320 40.560 1.00 27.83 N +ATOM 5013 CA ALA B 116 71.412 69.493 40.773 1.00 28.65 C +ATOM 5014 C ALA B 116 71.828 70.984 40.778 1.00 29.03 C +ATOM 5015 O ALA B 116 71.227 71.790 40.063 1.00 29.82 O +ATOM 5016 CB ALA B 116 72.144 68.693 39.691 1.00 35.36 C +ATOM 5017 H ALA B 116 69.677 69.031 39.642 1.00 33.39 H +ATOM 5018 HA ALA B 116 71.659 69.054 41.739 1.00 34.38 H +ATOM 5019 HB1 ALA B 116 73.220 68.763 39.841 1.00 42.44 H +ATOM 5020 HB2 ALA B 116 71.852 67.646 39.742 1.00 42.44 H +ATOM 5021 HB3 ALA B 116 71.900 69.085 38.706 1.00 42.44 H +ATOM 5022 N PRO B 117 72.879 71.358 41.530 1.00 29.46 N +ATOM 5023 CA PRO B 117 73.329 72.739 41.679 1.00 34.15 C +ATOM 5024 C PRO B 117 73.935 73.350 40.408 1.00 37.59 C +ATOM 5025 O PRO B 117 74.723 72.724 39.700 1.00 35.82 O +ATOM 5026 CB PRO B 117 74.374 72.703 42.801 1.00 34.69 C +ATOM 5027 CG PRO B 117 74.927 71.285 42.733 1.00 30.37 C +ATOM 5028 CD PRO B 117 73.692 70.481 42.356 1.00 28.57 C +ATOM 5029 HA PRO B 117 72.492 73.360 41.994 1.00 40.98 H +ATOM 5030 HB2 PRO B 117 75.160 73.443 42.655 1.00 41.62 H +ATOM 5031 HB3 PRO B 117 73.895 72.853 43.768 1.00 41.62 H +ATOM 5032 HG2 PRO B 117 75.674 71.213 41.944 1.00 36.45 H +ATOM 5033 HG3 PRO B 117 75.342 70.966 43.688 1.00 36.45 H +ATOM 5034 HD2 PRO B 117 73.984 69.575 41.828 1.00 34.28 H +ATOM 5035 HD3 PRO B 117 73.129 70.231 43.254 1.00 34.28 H +ATOM 5036 N SER B 118 73.647 74.628 40.187 1.00 39.56 N +ATOM 5037 CA SER B 118 74.486 75.551 39.424 1.00 37.07 C +ATOM 5038 C SER B 118 75.693 75.994 40.258 1.00 35.98 C +ATOM 5039 O SER B 118 75.564 76.219 41.461 1.00 39.62 O +ATOM 5040 CB SER B 118 73.654 76.778 39.050 1.00 42.75 C +ATOM 5041 OG SER B 118 74.452 77.762 38.425 1.00 47.03 O +ATOM 5042 H SER B 118 72.996 75.056 40.828 1.00 47.47 H +ATOM 5043 HA SER B 118 74.834 75.068 38.511 1.00 44.49 H +ATOM 5044 HB2 SER B 118 72.853 76.475 38.378 1.00 51.30 H +ATOM 5045 HB3 SER B 118 73.210 77.199 39.950 1.00 51.30 H +ATOM 5046 HG SER B 118 73.904 78.527 38.256 1.00 56.44 H +ATOM 5047 N VAL B 119 76.857 76.160 39.629 1.00 31.33 N +ATOM 5048 CA VAL B 119 78.066 76.714 40.255 1.00 33.89 C +ATOM 5049 C VAL B 119 78.676 77.764 39.332 1.00 39.45 C +ATOM 5050 O VAL B 119 78.776 77.550 38.126 1.00 44.61 O +ATOM 5051 CB VAL B 119 79.097 75.617 40.578 1.00 37.99 C +ATOM 5052 CG1 VAL B 119 80.350 76.204 41.236 1.00 47.37 C +ATOM 5053 CG2 VAL B 119 78.536 74.551 41.520 1.00 39.74 C +ATOM 5054 H VAL B 119 76.886 75.993 38.635 1.00 37.59 H +ATOM 5055 HA VAL B 119 77.799 77.206 41.190 1.00 40.67 H +ATOM 5056 HB VAL B 119 79.393 75.124 39.654 1.00 45.59 H +ATOM 5057 HG11 VAL B 119 81.013 75.406 41.565 1.00 56.84 H +ATOM 5058 HG12 VAL B 119 80.895 76.823 40.528 1.00 56.84 H +ATOM 5059 HG13 VAL B 119 80.074 76.802 42.100 1.00 56.84 H +ATOM 5060 HG21 VAL B 119 79.288 73.789 41.715 1.00 47.68 H +ATOM 5061 HG22 VAL B 119 78.249 75.014 42.460 1.00 47.68 H +ATOM 5062 HG23 VAL B 119 77.671 74.068 41.076 1.00 47.68 H +ATOM 5063 N THR B 120 79.118 78.889 39.886 1.00 41.02 N +ATOM 5064 CA THR B 120 79.910 79.912 39.186 1.00 42.95 C +ATOM 5065 C THR B 120 80.823 80.616 40.185 1.00 44.95 C +ATOM 5066 O THR B 120 80.527 80.670 41.374 1.00 50.51 O +ATOM 5067 CB THR B 120 79.014 80.882 38.395 1.00 42.19 C +ATOM 5068 OG1 THR B 120 79.793 81.813 37.680 1.00 56.59 O +ATOM 5069 CG2 THR B 120 78.056 81.702 39.250 1.00 42.38 C +ATOM 5070 H THR B 120 79.006 79.005 40.883 1.00 49.23 H +ATOM 5071 HA THR B 120 80.553 79.411 38.463 1.00 51.54 H +ATOM 5072 HB THR B 120 78.430 80.306 37.678 1.00 50.62 H +ATOM 5073 HG1 THR B 120 79.915 82.579 38.238 1.00 67.91 H +ATOM 5074 HG21 THR B 120 77.455 82.348 38.612 1.00 50.85 H +ATOM 5075 HG22 THR B 120 77.385 81.034 39.785 1.00 50.85 H +ATOM 5076 HG23 THR B 120 78.602 82.306 39.970 1.00 50.85 H +ATOM 5077 N LEU B 121 81.961 81.135 39.741 1.00 49.41 N +ATOM 5078 CA LEU B 121 83.074 81.483 40.630 1.00 59.40 C +ATOM 5079 C LEU B 121 83.482 82.953 40.464 1.00 68.22 C +ATOM 5080 O LEU B 121 83.411 83.481 39.358 1.00 76.03 O +ATOM 5081 CB LEU B 121 84.233 80.507 40.362 1.00 71.82 C +ATOM 5082 CG LEU B 121 83.857 79.011 40.316 1.00 73.45 C +ATOM 5083 CD1 LEU B 121 85.078 78.173 39.957 1.00 88.13 C +ATOM 5084 CD2 LEU B 121 83.336 78.501 41.656 1.00 69.64 C +ATOM 5085 H LEU B 121 82.134 81.139 38.747 1.00 59.29 H +ATOM 5086 HA LEU B 121 82.774 81.356 41.670 1.00 71.28 H +ATOM 5087 HB2 LEU B 121 84.683 80.771 39.406 1.00 86.19 H +ATOM 5088 HB3 LEU B 121 84.985 80.650 41.137 1.00 86.19 H +ATOM 5089 HG LEU B 121 83.103 78.834 39.550 1.00 88.14 H +ATOM 5090 HD11 LEU B 121 84.774 77.142 39.788 1.00105.75 H +ATOM 5091 HD12 LEU B 121 85.532 78.549 39.042 1.00105.75 H +ATOM 5092 HD13 LEU B 121 85.808 78.211 40.764 1.00105.75 H +ATOM 5093 HD21 LEU B 121 83.131 77.433 41.595 1.00 83.56 H +ATOM 5094 HD22 LEU B 121 84.076 78.674 42.436 1.00 83.56 H +ATOM 5095 HD23 LEU B 121 82.411 79.008 41.924 1.00 83.56 H +ATOM 5096 N PHE B 122 83.922 83.626 41.529 1.00 81.15 N +ATOM 5097 CA PHE B 122 84.231 85.060 41.500 1.00 89.28 C +ATOM 5098 C PHE B 122 85.619 85.391 42.076 1.00 95.64 C +ATOM 5099 O PHE B 122 85.780 85.635 43.274 1.00 98.16 O +ATOM 5100 CB PHE B 122 83.095 85.872 42.150 1.00 91.37 C +ATOM 5101 CG PHE B 122 83.385 87.360 42.326 1.00100.31 C +ATOM 5102 CD1 PHE B 122 83.786 88.137 41.225 1.00111.22 C +ATOM 5103 CD2 PHE B 122 83.274 87.977 43.588 1.00101.05 C +ATOM 5104 CE1 PHE B 122 84.090 89.499 41.394 1.00112.20 C +ATOM 5105 CE2 PHE B 122 83.577 89.338 43.757 1.00100.20 C +ATOM 5106 CZ PHE B 122 83.990 90.103 42.658 1.00111.10 C +ATOM 5107 H PHE B 122 84.016 83.148 42.413 1.00 97.38 H +ATOM 5108 HA PHE B 122 84.259 85.394 40.464 1.00107.14 H +ATOM 5109 HB2 PHE B 122 82.200 85.771 41.538 1.00109.64 H +ATOM 5110 HB3 PHE B 122 82.858 85.433 43.119 1.00109.64 H +ATOM 5111 HD1 PHE B 122 83.872 87.695 40.244 1.00133.46 H +ATOM 5112 HD2 PHE B 122 82.954 87.406 44.447 1.00121.26 H +ATOM 5113 HE1 PHE B 122 84.403 90.085 40.543 1.00134.64 H +ATOM 5114 HE2 PHE B 122 83.501 89.792 44.734 1.00120.24 H +ATOM 5115 HZ PHE B 122 84.229 91.148 42.781 1.00133.32 H +ATOM 5116 N PRO B 123 86.645 85.442 41.211 1.00109.18 N +ATOM 5117 CA PRO B 123 87.814 86.284 41.423 1.00124.27 C +ATOM 5118 C PRO B 123 87.432 87.743 41.078 1.00123.41 C +ATOM 5119 O PRO B 123 86.930 87.982 39.979 1.00119.63 O +ATOM 5120 CB PRO B 123 88.898 85.742 40.475 1.00131.39 C +ATOM 5121 CG PRO B 123 88.237 84.623 39.661 1.00126.65 C +ATOM 5122 CD PRO B 123 86.739 84.757 39.935 1.00106.94 C +ATOM 5123 HA PRO B 123 88.163 86.195 42.451 1.00149.12 H +ATOM 5124 HB2 PRO B 123 89.262 86.522 39.810 1.00157.67 H +ATOM 5125 HB3 PRO B 123 89.734 85.341 41.045 1.00157.67 H +ATOM 5126 HG2 PRO B 123 88.462 84.707 38.599 1.00151.98 H +ATOM 5127 HG3 PRO B 123 88.584 83.653 40.014 1.00151.98 H +ATOM 5128 HD2 PRO B 123 86.263 85.358 39.161 1.00128.33 H +ATOM 5129 HD3 PRO B 123 86.282 83.769 39.976 1.00128.33 H +ATOM 5130 N PRO B 124 87.661 88.735 41.952 1.00125.12 N +ATOM 5131 CA PRO B 124 87.507 90.148 41.607 1.00141.20 C +ATOM 5132 C PRO B 124 88.543 90.631 40.590 1.00146.56 C +ATOM 5133 O PRO B 124 89.520 89.947 40.284 1.00153.39 O +ATOM 5134 CB PRO B 124 87.641 90.923 42.918 1.00148.03 C +ATOM 5135 CG PRO B 124 87.409 89.872 43.996 1.00126.30 C +ATOM 5136 CD PRO B 124 87.934 88.591 43.365 1.00118.98 C +ATOM 5137 HA PRO B 124 86.513 90.319 41.196 1.00169.44 H +ATOM 5138 HB2 PRO B 124 88.647 91.328 43.019 1.00177.63 H +ATOM 5139 HB3 PRO B 124 86.905 91.723 42.989 1.00177.63 H +ATOM 5140 HG2 PRO B 124 87.951 90.118 44.909 1.00151.56 H +ATOM 5141 HG3 PRO B 124 86.344 89.772 44.197 1.00151.56 H +ATOM 5142 HD2 PRO B 124 89.009 88.519 43.518 1.00142.77 H +ATOM 5143 HD3 PRO B 124 87.418 87.732 43.793 1.00142.77 H +ATOM 5144 N SER B 125 88.372 91.852 40.100 1.00159.65 N +ATOM 5145 CA SER B 125 89.378 92.534 39.288 1.00164.11 C +ATOM 5146 C SER B 125 90.607 92.956 40.087 1.00164.36 C +ATOM 5147 O SER B 125 90.586 93.141 41.306 1.00167.41 O +ATOM 5148 CB SER B 125 88.777 93.768 38.618 1.00165.88 C +ATOM 5149 OG SER B 125 88.392 94.703 39.594 1.00173.85 O +ATOM 5150 H SER B 125 87.590 92.399 40.430 1.00191.58 H +ATOM 5151 HA SER B 125 89.728 91.857 38.509 1.00196.93 H +ATOM 5152 HB2 SER B 125 89.527 94.232 37.978 1.00199.05 H +ATOM 5153 HB3 SER B 125 87.909 93.482 38.025 1.00199.05 H +ATOM 5154 HG SER B 125 87.698 94.294 40.115 1.00208.62 H +ATOM 5155 N SER B 126 91.692 93.205 39.364 1.00175.06 N +ATOM 5156 CA SER B 126 92.843 93.929 39.897 1.00171.50 C +ATOM 5157 C SER B 126 92.444 95.350 40.322 1.00164.29 C +ATOM 5158 O SER B 126 93.007 95.898 41.265 1.00177.12 O +ATOM 5159 CB SER B 126 93.926 93.987 38.821 1.00170.77 C +ATOM 5160 OG SER B 126 93.458 94.692 37.691 1.00181.08 O +ATOM 5161 H SER B 126 91.598 93.166 38.359 1.00210.07 H +ATOM 5162 HA SER B 126 93.231 93.394 40.763 1.00205.80 H +ATOM 5163 HB2 SER B 126 94.807 94.485 39.222 1.00204.92 H +ATOM 5164 HB3 SER B 126 94.189 92.973 38.523 1.00204.92 H +ATOM 5165 HG SER B 126 92.736 94.189 37.308 1.00217.30 H +ATOM 5166 N GLU B 127 91.418 95.921 39.687 1.00167.83 N +ATOM 5167 CA GLU B 127 90.881 97.244 40.021 1.00173.07 C +ATOM 5168 C GLU B 127 90.172 97.260 41.387 1.00175.97 C +ATOM 5169 O GLU B 127 90.118 98.296 42.044 1.00159.96 O +ATOM 5170 CB GLU B 127 89.936 97.736 38.913 1.00174.02 C +ATOM 5171 CG GLU B 127 90.539 97.590 37.507 1.00204.97 C +ATOM 5172 CD GLU B 127 89.749 98.388 36.459 1.00184.28 C +ATOM 5173 OE1 GLU B 127 89.878 99.632 36.419 1.00191.86 O +ATOM 5174 OE2 GLU B 127 89.011 97.774 35.656 1.00192.94 O +ATOM 5175 H GLU B 127 90.983 95.398 38.941 1.00201.40 H +ATOM 5176 HA GLU B 127 91.714 97.943 40.085 1.00207.68 H +ATOM 5177 HB2 GLU B 127 88.997 97.185 38.952 1.00208.83 H +ATOM 5178 HB3 GLU B 127 89.719 98.786 39.103 1.00208.83 H +ATOM 5179 HG2 GLU B 127 91.567 97.947 37.528 1.00245.96 H +ATOM 5180 HG3 GLU B 127 90.562 96.535 37.239 1.00245.96 H +ATOM 5181 N GLU B 128 89.674 96.111 41.851 1.00167.70 N +ATOM 5182 CA GLU B 128 89.234 95.901 43.233 1.00152.42 C +ATOM 5183 C GLU B 128 90.407 95.568 44.175 1.00148.19 C +ATOM 5184 O GLU B 128 90.398 96.001 45.328 1.00169.13 O +ATOM 5185 CB GLU B 128 88.166 94.797 43.246 1.00154.18 C +ATOM 5186 CG GLU B 128 86.833 95.305 42.665 1.00174.80 C +ATOM 5187 CD GLU B 128 86.004 94.189 42.012 1.00159.52 C +ATOM 5188 OE1 GLU B 128 86.447 93.651 40.972 1.00149.93 O +ATOM 5189 OE2 GLU B 128 84.906 93.894 42.530 1.00173.14 O +ATOM 5190 H GLU B 128 89.651 95.319 41.227 1.00201.24 H +ATOM 5191 HA GLU B 128 88.778 96.813 43.616 1.00182.91 H +ATOM 5192 HB2 GLU B 128 88.528 93.951 42.663 1.00185.02 H +ATOM 5193 HB3 GLU B 128 87.996 94.460 44.268 1.00185.02 H +ATOM 5194 HG2 GLU B 128 86.270 95.795 43.459 1.00209.77 H +ATOM 5195 HG3 GLU B 128 87.030 96.058 41.902 1.00209.77 H +ATOM 5196 N LEU B 129 91.450 94.865 43.701 1.00166.36 N +ATOM 5197 CA LEU B 129 92.657 94.546 44.494 1.00158.24 C +ATOM 5198 C LEU B 129 93.452 95.784 44.932 1.00164.04 C +ATOM 5199 O LEU B 129 93.995 95.809 46.033 1.00149.48 O +ATOM 5200 CB LEU B 129 93.567 93.586 43.704 1.00159.05 C +ATOM 5201 CG LEU B 129 94.799 93.087 44.492 1.00167.78 C +ATOM 5202 CD1 LEU B 129 94.377 92.271 45.714 1.00153.23 C +ATOM 5203 CD2 LEU B 129 95.674 92.220 43.589 1.00168.48 C +ATOM 5204 H LEU B 129 91.392 94.519 42.754 1.00199.63 H +ATOM 5205 HA LEU B 129 92.330 94.045 45.405 1.00189.89 H +ATOM 5206 HB2 LEU B 129 92.981 92.727 43.382 1.00190.86 H +ATOM 5207 HB3 LEU B 129 93.929 94.102 42.816 1.00190.86 H +ATOM 5208 HG LEU B 129 95.407 93.929 44.820 1.00201.34 H +ATOM 5209 HD11 LEU B 129 95.234 91.744 46.129 1.00183.88 H +ATOM 5210 HD12 LEU B 129 93.963 92.925 46.479 1.00183.88 H +ATOM 5211 HD13 LEU B 129 93.625 91.538 45.431 1.00183.88 H +ATOM 5212 HD21 LEU B 129 96.535 91.849 44.143 1.00202.18 H +ATOM 5213 HD22 LEU B 129 95.099 91.376 43.211 1.00202.18 H +ATOM 5214 HD23 LEU B 129 96.032 92.813 42.749 1.00202.18 H +ATOM 5215 N GLN B 130 93.483 96.825 44.102 1.00178.23 N +ATOM 5216 CA GLN B 130 94.172 98.093 44.378 1.00155.92 C +ATOM 5217 C GLN B 130 93.711 98.801 45.675 1.00169.33 C +ATOM 5218 O GLN B 130 94.417 99.675 46.178 1.00168.77 O +ATOM 5219 CB GLN B 130 93.997 99.019 43.162 1.00177.16 C +ATOM 5220 CG GLN B 130 94.839 98.560 41.957 1.00178.83 C +ATOM 5221 CD GLN B 130 94.307 99.031 40.602 1.00179.11 C +ATOM 5222 OE1 GLN B 130 93.505 99.947 40.481 1.00185.99 O +ATOM 5223 NE2 GLN B 130 94.747 98.435 39.516 1.00183.00 N +ATOM 5224 H GLN B 130 93.065 96.700 43.192 1.00213.87 H +ATOM 5225 HA GLN B 130 95.235 97.888 44.500 1.00187.11 H +ATOM 5226 HB2 GLN B 130 92.942 99.038 42.894 1.00212.60 H +ATOM 5227 HB3 GLN B 130 94.300 100.032 43.423 1.00212.60 H +ATOM 5228 HG2 GLN B 130 95.859 98.922 42.078 1.00214.60 H +ATOM 5229 HG3 GLN B 130 94.891 97.472 41.939 1.00214.60 H +ATOM 5230 HE21 GLN B 130 94.431 98.772 38.620 1.00219.60 H +ATOM 5231 HE22 GLN B 130 95.430 97.695 39.585 1.00219.60 H +ATOM 5232 N ALA B 131 92.562 98.425 46.248 1.00163.76 N +ATOM 5233 CA ALA B 131 92.077 98.915 47.543 1.00158.97 C +ATOM 5234 C ALA B 131 92.515 98.051 48.755 1.00156.53 C +ATOM 5235 O ALA B 131 92.139 98.346 49.887 1.00139.54 O +ATOM 5236 CB ALA B 131 90.549 99.045 47.445 1.00154.40 C +ATOM 5237 H ALA B 131 92.001 97.733 45.774 1.00196.51 H +ATOM 5238 HA ALA B 131 92.475 99.915 47.714 1.00190.77 H +ATOM 5239 HB1 ALA B 131 90.160 99.503 48.351 1.00185.28 H +ATOM 5240 HB2 ALA B 131 90.285 99.681 46.602 1.00185.28 H +ATOM 5241 HB3 ALA B 131 90.091 98.067 47.314 1.00185.28 H +ATOM 5242 N ASN B 132 93.242 96.948 48.539 1.00158.20 N +ATOM 5243 CA ASN B 132 93.551 95.865 49.496 1.00149.98 C +ATOM 5244 C ASN B 132 92.339 95.067 50.036 1.00130.54 C +ATOM 5245 O ASN B 132 92.521 93.964 50.552 1.00153.85 O +ATOM 5246 CB ASN B 132 94.459 96.369 50.640 1.00154.08 C +ATOM 5247 CG ASN B 132 95.751 97.001 50.158 1.00157.42 C +ATOM 5248 OD1 ASN B 132 96.615 96.345 49.601 1.00153.29 O +ATOM 5249 ND2 ASN B 132 95.935 98.282 50.361 1.00158.30 N +ATOM 5250 H ASN B 132 93.546 96.789 47.590 1.00189.84 H +ATOM 5251 HA ASN B 132 94.137 95.133 48.941 1.00179.98 H +ATOM 5252 HB2 ASN B 132 93.915 97.077 51.263 1.00184.89 H +ATOM 5253 HB3 ASN B 132 94.730 95.528 51.276 1.00184.89 H +ATOM 5254 HD21 ASN B 132 96.797 98.699 50.046 1.00189.96 H +ATOM 5255 HD22 ASN B 132 95.227 98.830 50.824 1.00189.96 H +ATOM 5256 N LYS B 133 91.106 95.577 49.907 1.00137.56 N +ATOM 5257 CA LYS B 133 89.880 94.969 50.471 1.00129.16 C +ATOM 5258 C LYS B 133 89.408 93.706 49.739 1.00132.77 C +ATOM 5259 O LYS B 133 88.542 92.988 50.239 1.00126.04 O +ATOM 5260 CB LYS B 133 88.730 95.993 50.478 1.00126.30 C +ATOM 5261 CG LYS B 133 89.080 97.411 50.947 1.00114.07 C +ATOM 5262 CD LYS B 133 89.834 97.477 52.283 1.00132.48 C +ATOM 5263 CE LYS B 133 90.180 98.940 52.579 1.00143.39 C +ATOM 5264 NZ LYS B 133 90.868 99.091 53.882 1.00123.95 N +ATOM 5265 H LYS B 133 91.039 96.513 49.535 1.00165.07 H +ATOM 5266 HA LYS B 133 90.079 94.671 51.500 1.00154.99 H +ATOM 5267 HB2 LYS B 133 88.322 96.075 49.472 1.00151.56 H +ATOM 5268 HB3 LYS B 133 87.936 95.612 51.118 1.00151.56 H +ATOM 5269 HG2 LYS B 133 89.665 97.903 50.172 1.00136.88 H +ATOM 5270 HG3 LYS B 133 88.150 97.969 51.044 1.00136.88 H +ATOM 5271 HD2 LYS B 133 89.202 97.075 53.072 1.00158.97 H +ATOM 5272 HD3 LYS B 133 90.754 96.897 52.233 1.00158.97 H +ATOM 5273 HE2 LYS B 133 90.815 99.317 51.779 1.00172.06 H +ATOM 5274 HE3 LYS B 133 89.259 99.521 52.576 1.00172.06 H +ATOM 5275 HZ1 LYS B 133 91.086 100.059 54.065 1.00148.74 H +ATOM 5276 HZ2 LYS B 133 90.288 98.763 54.640 1.00148.74 H +ATOM 5277 HZ3 LYS B 133 91.734 98.573 53.905 1.00148.74 H +ATOM 5278 N ALA B 134 89.915 93.463 48.533 1.00140.90 N +ATOM 5279 CA ALA B 134 89.405 92.429 47.645 1.00138.43 C +ATOM 5280 C ALA B 134 89.451 91.020 48.267 1.00123.38 C +ATOM 5281 O ALA B 134 90.256 90.699 49.140 1.00129.01 O +ATOM 5282 CB ALA B 134 90.140 92.511 46.308 1.00150.72 C +ATOM 5283 H ALA B 134 90.623 94.090 48.184 1.00169.08 H +ATOM 5284 HA ALA B 134 88.359 92.664 47.451 1.00166.12 H +ATOM 5285 HB1 ALA B 134 89.686 91.828 45.592 1.00180.86 H +ATOM 5286 HB2 ALA B 134 90.050 93.519 45.912 1.00180.86 H +ATOM 5287 HB3 ALA B 134 91.189 92.254 46.440 1.00180.86 H +ATOM 5288 N THR B 135 88.517 90.180 47.831 1.00113.94 N +ATOM 5289 CA THR B 135 88.154 88.917 48.484 1.00108.76 C +ATOM 5290 C THR B 135 87.795 87.869 47.427 1.00106.60 C +ATOM 5291 O THR B 135 87.055 88.177 46.499 1.00105.68 O +ATOM 5292 CB THR B 135 86.984 89.247 49.423 1.00105.58 C +ATOM 5293 OG1 THR B 135 87.482 89.954 50.543 1.00107.44 O +ATOM 5294 CG2 THR B 135 86.196 88.067 49.970 1.00101.39 C +ATOM 5295 H THR B 135 87.911 90.491 47.087 1.00136.73 H +ATOM 5296 HA THR B 135 88.986 88.535 49.075 1.00130.51 H +ATOM 5297 HB THR B 135 86.278 89.889 48.896 1.00126.69 H +ATOM 5298 HG1 THR B 135 87.813 90.804 50.247 1.00128.93 H +ATOM 5299 HG21 THR B 135 85.389 88.449 50.589 1.00121.66 H +ATOM 5300 HG22 THR B 135 85.770 87.480 49.160 1.00121.66 H +ATOM 5301 HG23 THR B 135 86.839 87.441 50.580 1.00121.66 H +ATOM 5302 N LEU B 136 88.294 86.638 47.539 1.00100.54 N +ATOM 5303 CA LEU B 136 87.991 85.565 46.580 1.00103.29 C +ATOM 5304 C LEU B 136 86.726 84.799 46.994 1.00 91.97 C +ATOM 5305 O LEU B 136 86.480 84.622 48.187 1.00 85.83 O +ATOM 5306 CB LEU B 136 89.209 84.636 46.431 1.00103.19 C +ATOM 5307 CG LEU B 136 90.461 85.305 45.824 1.00133.34 C +ATOM 5308 CD1 LEU B 136 91.651 84.345 45.835 1.00124.55 C +ATOM 5309 CD2 LEU B 136 90.240 85.735 44.373 1.00125.48 C +ATOM 5310 H LEU B 136 88.826 86.404 48.364 1.00120.65 H +ATOM 5311 HA LEU B 136 87.776 86.004 45.606 1.00123.95 H +ATOM 5312 HB2 LEU B 136 89.464 84.243 47.414 1.00123.83 H +ATOM 5313 HB3 LEU B 136 88.929 83.792 45.801 1.00123.83 H +ATOM 5314 HG LEU B 136 90.727 86.181 46.414 1.00160.01 H +ATOM 5315 HD11 LEU B 136 92.534 84.846 45.444 1.00149.46 H +ATOM 5316 HD12 LEU B 136 91.856 84.030 46.857 1.00149.46 H +ATOM 5317 HD13 LEU B 136 91.431 83.468 45.229 1.00149.46 H +ATOM 5318 HD21 LEU B 136 91.156 86.169 43.979 1.00150.57 H +ATOM 5319 HD22 LEU B 136 89.952 84.879 43.766 1.00150.57 H +ATOM 5320 HD23 LEU B 136 89.464 86.498 44.336 1.00150.57 H +ATOM 5321 N VAL B 137 85.907 84.377 46.025 1.00 81.40 N +ATOM 5322 CA VAL B 137 84.512 83.957 46.261 1.00 73.35 C +ATOM 5323 C VAL B 137 84.072 82.794 45.371 1.00 57.63 C +ATOM 5324 O VAL B 137 84.431 82.722 44.197 1.00 63.48 O +ATOM 5325 CB VAL B 137 83.589 85.166 46.019 1.00 75.67 C +ATOM 5326 CG1 VAL B 137 82.092 84.836 45.948 1.00 75.01 C +ATOM 5327 CG2 VAL B 137 83.774 86.263 47.070 1.00 79.43 C +ATOM 5328 H VAL B 137 86.150 84.586 45.068 1.00 97.68 H +ATOM 5329 HA VAL B 137 84.404 83.637 47.297 1.00 88.02 H +ATOM 5330 HB VAL B 137 83.872 85.588 45.055 1.00 90.81 H +ATOM 5331 HG11 VAL B 137 81.518 85.751 45.818 1.00 90.02 H +ATOM 5332 HG12 VAL B 137 81.874 84.194 45.097 1.00 90.02 H +ATOM 5333 HG13 VAL B 137 81.769 84.355 46.868 1.00 90.02 H +ATOM 5334 HG21 VAL B 137 83.065 87.074 46.907 1.00 95.31 H +ATOM 5335 HG22 VAL B 137 83.616 85.839 48.060 1.00 95.31 H +ATOM 5336 HG23 VAL B 137 84.777 86.683 47.004 1.00 95.31 H +ATOM 5337 N CYS B 138 83.186 81.945 45.889 1.00 51.31 N +ATOM 5338 CA CYS B 138 82.423 80.973 45.107 1.00 40.35 C +ATOM 5339 C CYS B 138 80.927 81.105 45.375 1.00 34.20 C +ATOM 5340 O CYS B 138 80.522 81.355 46.511 1.00 38.62 O +ATOM 5341 CB CYS B 138 82.946 79.566 45.403 1.00 51.47 C +ATOM 5342 SG CYS B 138 81.812 78.288 44.801 1.00 49.02 S +ATOM 5343 H CYS B 138 82.902 82.092 46.847 1.00 61.58 H +ATOM 5344 HA CYS B 138 82.565 81.160 44.043 1.00 48.42 H +ATOM 5345 HB2 CYS B 138 83.904 79.438 44.903 1.00 61.76 H +ATOM 5346 HB3 CYS B 138 83.087 79.439 46.475 1.00 61.76 H +ATOM 5347 HG CYS B 138 80.859 78.457 45.706 1.00 58.82 H +ATOM 5348 N LEU B 139 80.115 80.892 44.341 1.00 35.96 N +ATOM 5349 CA LEU B 139 78.660 80.928 44.389 1.00 34.02 C +ATOM 5350 C LEU B 139 78.072 79.596 43.911 1.00 37.02 C +ATOM 5351 O LEU B 139 78.499 79.030 42.907 1.00 44.98 O +ATOM 5352 CB LEU B 139 78.132 82.058 43.493 1.00 39.26 C +ATOM 5353 CG LEU B 139 78.834 83.417 43.626 1.00 51.07 C +ATOM 5354 CD1 LEU B 139 78.227 84.398 42.627 1.00 62.57 C +ATOM 5355 CD2 LEU B 139 78.687 84.013 45.021 1.00 54.27 C +ATOM 5356 H LEU B 139 80.515 80.626 43.455 1.00 43.15 H +ATOM 5357 HA LEU B 139 78.329 81.105 45.412 1.00 40.82 H +ATOM 5358 HB2 LEU B 139 78.239 81.741 42.457 1.00 47.11 H +ATOM 5359 HB3 LEU B 139 77.067 82.186 43.688 1.00 47.11 H +ATOM 5360 HG LEU B 139 79.893 83.316 43.394 1.00 61.28 H +ATOM 5361 HD11 LEU B 139 78.742 85.355 42.694 1.00 75.09 H +ATOM 5362 HD12 LEU B 139 78.341 84.013 41.615 1.00 75.09 H +ATOM 5363 HD13 LEU B 139 77.169 84.544 42.841 1.00 75.09 H +ATOM 5364 HD21 LEU B 139 79.135 85.005 45.046 1.00 65.12 H +ATOM 5365 HD22 LEU B 139 77.633 84.091 45.285 1.00 65.12 H +ATOM 5366 HD23 LEU B 139 79.204 83.386 45.746 1.00 65.12 H +ATOM 5367 N ILE B 140 77.043 79.120 44.596 1.00 33.60 N +ATOM 5368 CA ILE B 140 76.323 77.891 44.269 1.00 33.27 C +ATOM 5369 C ILE B 140 74.834 78.201 44.330 1.00 36.03 C +ATOM 5370 O ILE B 140 74.399 78.886 45.253 1.00 37.67 O +ATOM 5371 CB ILE B 140 76.686 76.766 45.262 1.00 37.49 C +ATOM 5372 CG1 ILE B 140 78.213 76.611 45.440 1.00 40.23 C +ATOM 5373 CG2 ILE B 140 76.043 75.441 44.813 1.00 41.50 C +ATOM 5374 CD1 ILE B 140 78.627 75.518 46.425 1.00 40.82 C +ATOM 5375 H ILE B 140 76.759 79.600 45.437 1.00 40.32 H +ATOM 5376 HA ILE B 140 76.577 77.567 43.260 1.00 39.92 H +ATOM 5377 HB ILE B 140 76.270 77.029 46.234 1.00 44.99 H +ATOM 5378 HG12 ILE B 140 78.673 76.408 44.475 1.00 48.27 H +ATOM 5379 HG13 ILE B 140 78.629 77.540 45.823 1.00 48.27 H +ATOM 5380 HG21 ILE B 140 76.145 74.684 45.590 1.00 49.80 H +ATOM 5381 HG22 ILE B 140 74.978 75.556 44.616 1.00 49.80 H +ATOM 5382 HG23 ILE B 140 76.522 75.087 43.902 1.00 49.80 H +ATOM 5383 HD11 ILE B 140 79.705 75.560 46.572 1.00 48.98 H +ATOM 5384 HD12 ILE B 140 78.136 75.676 47.381 1.00 48.98 H +ATOM 5385 HD13 ILE B 140 78.364 74.538 46.038 1.00 48.98 H +ATOM 5386 N SER B 141 74.020 77.698 43.410 1.00 38.66 N +ATOM 5387 CA SER B 141 72.584 77.990 43.409 1.00 43.42 C +ATOM 5388 C SER B 141 71.732 76.874 42.834 1.00 41.59 C +ATOM 5389 O SER B 141 72.202 76.014 42.099 1.00 39.88 O +ATOM 5390 CB SER B 141 72.314 79.309 42.675 1.00 47.36 C +ATOM 5391 OG SER B 141 72.572 79.214 41.291 1.00 46.70 O +ATOM 5392 H SER B 141 74.402 77.136 42.665 1.00 46.39 H +ATOM 5393 HA SER B 141 72.249 78.117 44.438 1.00 52.10 H +ATOM 5394 HB2 SER B 141 71.271 79.591 42.813 1.00 56.83 H +ATOM 5395 HB3 SER B 141 72.940 80.092 43.103 1.00 56.83 H +ATOM 5396 HG SER B 141 71.769 78.906 40.866 1.00 56.04 H +ATOM 5397 N ASP B 142 70.440 76.932 43.143 1.00 42.79 N +ATOM 5398 CA ASP B 142 69.390 76.167 42.485 1.00 43.47 C +ATOM 5399 C ASP B 142 69.463 74.654 42.751 1.00 42.39 C +ATOM 5400 O ASP B 142 69.514 73.848 41.825 1.00 42.06 O +ATOM 5401 CB ASP B 142 69.298 76.564 40.999 1.00 45.75 C +ATOM 5402 CG ASP B 142 69.344 78.080 40.814 1.00 45.67 C +ATOM 5403 OD1 ASP B 142 68.454 78.770 41.353 1.00 46.59 O +ATOM 5404 OD2 ASP B 142 70.297 78.574 40.172 1.00 43.92 O +ATOM 5405 H ASP B 142 70.161 77.547 43.892 1.00 51.34 H +ATOM 5406 HA ASP B 142 68.457 76.504 42.935 1.00 52.16 H +ATOM 5407 HB2 ASP B 142 70.120 76.110 40.448 1.00 54.90 H +ATOM 5408 HB3 ASP B 142 68.368 76.182 40.580 1.00 54.90 H +ATOM 5409 N PHE B 143 69.435 74.262 44.028 1.00 36.17 N +ATOM 5410 CA PHE B 143 69.559 72.859 44.435 1.00 33.42 C +ATOM 5411 C PHE B 143 68.568 72.414 45.518 1.00 31.39 C +ATOM 5412 O PHE B 143 68.018 73.226 46.261 1.00 36.34 O +ATOM 5413 CB PHE B 143 71.009 72.593 44.869 1.00 32.54 C +ATOM 5414 CG PHE B 143 71.560 73.534 45.926 1.00 33.22 C +ATOM 5415 CD1 PHE B 143 71.276 73.326 47.287 1.00 33.09 C +ATOM 5416 CD2 PHE B 143 72.369 74.619 45.551 1.00 33.88 C +ATOM 5417 CE1 PHE B 143 71.784 74.203 48.261 1.00 29.49 C +ATOM 5418 CE2 PHE B 143 72.875 75.494 46.525 1.00 35.65 C +ATOM 5419 CZ PHE B 143 72.571 75.297 47.879 1.00 30.12 C +ATOM 5420 H PHE B 143 69.454 74.963 44.753 1.00 43.41 H +ATOM 5421 HA PHE B 143 69.364 72.222 43.573 1.00 40.11 H +ATOM 5422 HB2 PHE B 143 71.102 71.570 45.230 1.00 39.05 H +ATOM 5423 HB3 PHE B 143 71.636 72.665 43.980 1.00 39.05 H +ATOM 5424 HD1 PHE B 143 70.674 72.483 47.593 1.00 39.71 H +ATOM 5425 HD2 PHE B 143 72.602 74.781 44.510 1.00 40.65 H +ATOM 5426 HE1 PHE B 143 71.571 74.035 49.305 1.00 35.39 H +ATOM 5427 HE2 PHE B 143 73.505 76.322 46.235 1.00 42.78 H +ATOM 5428 HZ PHE B 143 72.966 75.965 48.630 1.00 36.14 H +ATOM 5429 N TYR B 144 68.431 71.091 45.611 1.00 27.44 N +ATOM 5430 CA TYR B 144 68.028 70.289 46.771 1.00 22.90 C +ATOM 5431 C TYR B 144 68.861 68.995 46.755 1.00 22.63 C +ATOM 5432 O TYR B 144 69.232 68.548 45.670 1.00 26.68 O +ATOM 5433 CB TYR B 144 66.547 69.907 46.686 1.00 20.85 C +ATOM 5434 CG TYR B 144 65.601 70.969 47.170 1.00 20.54 C +ATOM 5435 CD1 TYR B 144 65.161 71.968 46.289 1.00 32.45 C +ATOM 5436 CD2 TYR B 144 65.123 70.926 48.491 1.00 21.60 C +ATOM 5437 CE1 TYR B 144 64.233 72.929 46.728 1.00 40.74 C +ATOM 5438 CE2 TYR B 144 64.201 71.889 48.933 1.00 33.01 C +ATOM 5439 CZ TYR B 144 63.757 72.898 48.053 1.00 43.31 C +ATOM 5440 OH TYR B 144 62.868 73.831 48.480 1.00 47.40 O +ATOM 5441 H TYR B 144 68.857 70.552 44.872 1.00 32.93 H +ATOM 5442 HA TYR B 144 68.216 70.840 47.692 1.00 27.48 H +ATOM 5443 HB2 TYR B 144 66.299 69.643 45.659 1.00 25.02 H +ATOM 5444 HB3 TYR B 144 66.374 69.013 47.285 1.00 25.02 H +ATOM 5445 HD1 TYR B 144 65.520 71.987 45.272 1.00 38.94 H +ATOM 5446 HD2 TYR B 144 65.452 70.150 49.165 1.00 25.92 H +ATOM 5447 HE1 TYR B 144 63.865 73.678 46.043 1.00 48.89 H +ATOM 5448 HE2 TYR B 144 63.828 71.865 49.946 1.00 39.61 H +ATOM 5449 HH TYR B 144 62.936 74.644 47.976 1.00 56.88 H +ATOM 5450 N PRO B 145 69.125 68.335 47.894 1.00 19.99 N +ATOM 5451 CA PRO B 145 68.782 68.727 49.260 1.00 24.92 C +ATOM 5452 C PRO B 145 69.666 69.856 49.784 1.00 26.34 C +ATOM 5453 O PRO B 145 70.651 70.214 49.148 1.00 26.40 O +ATOM 5454 CB PRO B 145 68.968 67.463 50.109 1.00 31.22 C +ATOM 5455 CG PRO B 145 68.991 66.326 49.091 1.00 36.02 C +ATOM 5456 CD PRO B 145 69.667 66.992 47.907 1.00 26.47 C +ATOM 5457 HA PRO B 145 67.737 69.033 49.302 1.00 29.90 H +ATOM 5458 HB2 PRO B 145 69.926 67.490 50.627 1.00 37.46 H +ATOM 5459 HB3 PRO B 145 68.159 67.336 50.826 1.00 37.46 H +ATOM 5460 HG2 PRO B 145 69.552 65.464 49.452 1.00 43.23 H +ATOM 5461 HG3 PRO B 145 67.974 66.043 48.823 1.00 43.23 H +ATOM 5462 HD2 PRO B 145 70.744 67.035 48.071 1.00 31.76 H +ATOM 5463 HD3 PRO B 145 69.446 66.441 46.994 1.00 31.76 H +ATOM 5464 N GLY B 146 69.327 70.409 50.948 1.00 21.02 N +ATOM 5465 CA GLY B 146 69.942 71.628 51.484 1.00 17.51 C +ATOM 5466 C GLY B 146 71.357 71.476 52.034 1.00 13.32 C +ATOM 5467 O GLY B 146 72.015 72.474 52.293 1.00 28.48 O +ATOM 5468 H GLY B 146 68.527 70.039 51.437 1.00 25.22 H +ATOM 5469 HA2 GLY B 146 69.967 72.387 50.703 1.00 21.01 H +ATOM 5470 HA3 GLY B 146 69.314 72.002 52.291 1.00 21.01 H +ATOM 5471 N ALA B 147 71.857 70.262 52.221 1.00 2.66 N +ATOM 5472 CA ALA B 147 73.096 69.997 52.950 1.00 40.84 C +ATOM 5473 C ALA B 147 74.414 70.228 52.169 1.00 18.05 C +ATOM 5474 O ALA B 147 75.442 69.633 52.503 1.00 35.12 O +ATOM 5475 CB ALA B 147 72.988 68.587 53.527 1.00 37.76 C +ATOM 5476 H ALA B 147 71.286 69.472 51.959 1.00 3.19 H +ATOM 5477 HA ALA B 147 73.132 70.684 53.794 1.00 49.01 H +ATOM 5478 HB1 ALA B 147 73.818 68.395 54.201 1.00 45.31 H +ATOM 5479 HB2 ALA B 147 72.064 68.487 54.086 1.00 45.31 H +ATOM 5480 HB3 ALA B 147 73.004 67.855 52.727 1.00 45.31 H +ATOM 5481 N VAL B 148 74.423 71.080 51.137 1.00 17.29 N +ATOM 5482 CA VAL B 148 75.638 71.439 50.371 1.00 17.60 C +ATOM 5483 C VAL B 148 76.783 71.819 51.307 1.00 21.28 C +ATOM 5484 O VAL B 148 76.568 72.514 52.294 1.00 26.61 O +ATOM 5485 CB VAL B 148 75.360 72.600 49.400 1.00 23.37 C +ATOM 5486 CG1 VAL B 148 76.624 73.154 48.734 1.00 26.10 C +ATOM 5487 CG2 VAL B 148 74.433 72.138 48.277 1.00 27.79 C +ATOM 5488 H VAL B 148 73.567 71.578 50.942 1.00 20.75 H +ATOM 5489 HA VAL B 148 75.954 70.574 49.788 1.00 21.11 H +ATOM 5490 HB VAL B 148 74.877 73.413 49.940 1.00 28.05 H +ATOM 5491 HG11 VAL B 148 76.349 73.899 47.989 1.00 31.32 H +ATOM 5492 HG12 VAL B 148 77.262 73.644 49.468 1.00 31.32 H +ATOM 5493 HG13 VAL B 148 77.176 72.352 48.246 1.00 31.32 H +ATOM 5494 HG21 VAL B 148 74.230 72.966 47.599 1.00 33.35 H +ATOM 5495 HG22 VAL B 148 74.911 71.341 47.710 1.00 33.35 H +ATOM 5496 HG23 VAL B 148 73.486 71.782 48.680 1.00 33.35 H +ATOM 5497 N THR B 149 77.995 71.347 51.036 1.00 24.95 N +ATOM 5498 CA THR B 149 79.132 71.504 51.950 1.00 27.10 C +ATOM 5499 C THR B 149 80.425 71.732 51.179 1.00 29.08 C +ATOM 5500 O THR B 149 80.633 71.150 50.119 1.00 35.13 O +ATOM 5501 CB THR B 149 79.222 70.278 52.867 1.00 34.81 C +ATOM 5502 OG1 THR B 149 78.082 70.228 53.694 1.00 37.93 O +ATOM 5503 CG2 THR B 149 80.440 70.282 53.790 1.00 35.32 C +ATOM 5504 H THR B 149 78.136 70.810 50.193 1.00 29.94 H +ATOM 5505 HA THR B 149 78.977 72.378 52.582 1.00 32.52 H +ATOM 5506 HB THR B 149 79.250 69.377 52.255 1.00 41.78 H +ATOM 5507 HG1 THR B 149 77.309 70.145 53.133 1.00 45.51 H +ATOM 5508 HG21 THR B 149 80.378 69.442 54.480 1.00 42.39 H +ATOM 5509 HG22 THR B 149 81.355 70.171 53.209 1.00 42.39 H +ATOM 5510 HG23 THR B 149 80.478 71.209 54.358 1.00 42.39 H +ATOM 5511 N VAL B 150 81.294 72.602 51.686 1.00 29.13 N +ATOM 5512 CA VAL B 150 82.382 73.211 50.913 1.00 34.42 C +ATOM 5513 C VAL B 150 83.644 73.349 51.758 1.00 37.28 C +ATOM 5514 O VAL B 150 83.548 73.625 52.951 1.00 41.90 O +ATOM 5515 CB VAL B 150 81.911 74.581 50.398 1.00 46.34 C +ATOM 5516 CG1 VAL B 150 82.979 75.327 49.607 1.00 52.75 C +ATOM 5517 CG2 VAL B 150 80.688 74.453 49.481 1.00 46.59 C +ATOM 5518 H VAL B 150 81.105 72.997 52.595 1.00 34.95 H +ATOM 5519 HA VAL B 150 82.619 72.583 50.055 1.00 41.30 H +ATOM 5520 HB VAL B 150 81.632 75.201 51.249 1.00 55.61 H +ATOM 5521 HG11 VAL B 150 82.586 76.284 49.263 1.00 63.30 H +ATOM 5522 HG12 VAL B 150 83.849 75.537 50.227 1.00 63.30 H +ATOM 5523 HG13 VAL B 150 83.262 74.736 48.737 1.00 63.30 H +ATOM 5524 HG21 VAL B 150 80.438 75.423 49.054 1.00 55.91 H +ATOM 5525 HG22 VAL B 150 80.895 73.752 48.674 1.00 55.91 H +ATOM 5526 HG23 VAL B 150 79.822 74.113 50.046 1.00 55.91 H +ATOM 5527 N ALA B 151 84.824 73.192 51.155 1.00 48.56 N +ATOM 5528 CA ALA B 151 86.107 73.320 51.852 1.00 64.61 C +ATOM 5529 C ALA B 151 87.201 73.904 50.945 1.00 78.80 C +ATOM 5530 O ALA B 151 87.699 73.240 50.034 1.00 81.34 O +ATOM 5531 CB ALA B 151 86.515 71.955 52.426 1.00 71.53 C +ATOM 5532 H ALA B 151 84.831 72.979 50.169 1.00 58.27 H +ATOM 5533 HA ALA B 151 85.986 74.001 52.693 1.00 77.53 H +ATOM 5534 HB1 ALA B 151 87.449 72.055 52.976 1.00 85.84 H +ATOM 5535 HB2 ALA B 151 85.743 71.595 53.104 1.00 85.84 H +ATOM 5536 HB3 ALA B 151 86.656 71.230 51.626 1.00 85.84 H +ATOM 5537 N TRP B 152 87.579 75.156 51.201 1.00 84.59 N +ATOM 5538 CA TRP B 152 88.618 75.857 50.448 1.00 93.42 C +ATOM 5539 C TRP B 152 90.028 75.382 50.782 1.00103.01 C +ATOM 5540 O TRP B 152 90.325 74.964 51.900 1.00104.17 O +ATOM 5541 CB TRP B 152 88.509 77.365 50.680 1.00 97.95 C +ATOM 5542 CG TRP B 152 87.570 78.040 49.752 1.00 96.09 C +ATOM 5543 CD1 TRP B 152 86.332 78.480 50.061 1.00 91.43 C +ATOM 5544 CD2 TRP B 152 87.761 78.322 48.337 1.00 98.24 C +ATOM 5545 NE1 TRP B 152 85.749 79.031 48.938 1.00 85.68 N +ATOM 5546 CE2 TRP B 152 86.581 78.945 47.844 1.00 91.83 C +ATOM 5547 CE3 TRP B 152 88.807 78.106 47.417 1.00110.04 C +ATOM 5548 CZ2 TRP B 152 86.446 79.333 46.507 1.00 89.58 C +ATOM 5549 CZ3 TRP B 152 88.656 78.443 46.059 1.00105.30 C +ATOM 5550 CH2 TRP B 152 87.480 79.055 45.603 1.00 97.49 C +ATOM 5551 H TRP B 152 87.130 75.647 51.959 1.00101.51 H +ATOM 5552 HA TRP B 152 88.466 75.674 49.385 1.00112.10 H +ATOM 5553 HB2 TRP B 152 88.200 77.564 51.705 1.00117.54 H +ATOM 5554 HB3 TRP B 152 89.483 77.829 50.528 1.00117.54 H +ATOM 5555 HD1 TRP B 152 85.869 78.406 51.034 1.00109.72 H +ATOM 5556 HE1 TRP B 152 84.819 79.422 48.935 1.00102.82 H +ATOM 5557 HE3 TRP B 152 89.723 77.650 47.763 1.00132.05 H +ATOM 5558 HZ2 TRP B 152 85.551 79.840 46.181 1.00107.50 H +ATOM 5559 HZ3 TRP B 152 89.447 78.234 45.355 1.00126.36 H +ATOM 5560 HH2 TRP B 152 87.372 79.322 44.563 1.00116.99 H +ATOM 5561 N LYS B 153 90.910 75.530 49.798 1.00109.91 N +ATOM 5562 CA LYS B 153 92.336 75.251 49.829 1.00117.93 C +ATOM 5563 C LYS B 153 93.118 76.400 49.176 1.00122.88 C +ATOM 5564 O LYS B 153 92.811 76.827 48.063 1.00117.79 O +ATOM 5565 CB LYS B 153 92.619 73.936 49.091 1.00124.35 C +ATOM 5566 CG LYS B 153 91.885 72.691 49.616 1.00117.01 C +ATOM 5567 CD LYS B 153 92.051 71.534 48.620 1.00121.90 C +ATOM 5568 CE LYS B 153 91.403 70.245 49.138 1.00114.60 C +ATOM 5569 NZ LYS B 153 91.454 69.155 48.128 1.00108.02 N +ATOM 5570 H LYS B 153 90.548 75.807 48.897 1.00131.89 H +ATOM 5571 HA LYS B 153 92.647 75.146 50.868 1.00141.52 H +ATOM 5572 HB2 LYS B 153 92.354 74.075 48.044 1.00149.22 H +ATOM 5573 HB3 LYS B 153 93.691 73.749 49.131 1.00149.22 H +ATOM 5574 HG2 LYS B 153 92.301 72.410 50.582 1.00140.42 H +ATOM 5575 HG3 LYS B 153 90.822 72.894 49.731 1.00140.42 H +ATOM 5576 HD2 LYS B 153 91.581 71.812 47.679 1.00146.28 H +ATOM 5577 HD3 LYS B 153 93.110 71.358 48.445 1.00146.28 H +ATOM 5578 HE2 LYS B 153 91.927 69.939 50.041 1.00137.52 H +ATOM 5579 HE3 LYS B 153 90.370 70.453 49.411 1.00137.52 H +ATOM 5580 HZ1 LYS B 153 91.141 68.284 48.529 1.00129.62 H +ATOM 5581 HZ2 LYS B 153 90.859 69.330 47.333 1.00129.62 H +ATOM 5582 HZ3 LYS B 153 92.393 69.007 47.792 1.00129.62 H +ATOM 5583 N ALA B 154 94.153 76.887 49.853 1.00126.71 N +ATOM 5584 CA ALA B 154 95.141 77.813 49.306 1.00131.66 C +ATOM 5585 C ALA B 154 96.076 77.011 48.400 1.00137.17 C +ATOM 5586 O ALA B 154 96.886 76.226 48.889 1.00144.40 O +ATOM 5587 CB ALA B 154 95.859 78.510 50.466 1.00132.33 C +ATOM 5588 H ALA B 154 94.357 76.475 50.752 1.00152.05 H +ATOM 5589 HA ALA B 154 94.645 78.566 48.695 1.00157.99 H +ATOM 5590 HB1 ALA B 154 96.543 79.257 50.071 1.00158.80 H +ATOM 5591 HB2 ALA B 154 95.136 79.012 51.107 1.00158.80 H +ATOM 5592 HB3 ALA B 154 96.415 77.786 51.057 1.00158.80 H +ATOM 5593 N ASP B 155 95.872 77.122 47.084 1.00136.13 N +ATOM 5594 CA ASP B 155 96.192 76.063 46.126 1.00145.74 C +ATOM 5595 C ASP B 155 95.745 74.696 46.675 1.00144.30 C +ATOM 5596 O ASP B 155 94.556 74.396 46.614 1.00133.97 O +ATOM 5597 CB ASP B 155 97.639 76.116 45.624 1.00140.43 C +ATOM 5598 CG ASP B 155 97.883 77.285 44.664 1.00153.78 C +ATOM 5599 OD1 ASP B 155 97.413 77.200 43.508 1.00149.31 O +ATOM 5600 OD2 ASP B 155 98.622 78.220 45.041 1.00147.59 O +ATOM 5601 H ASP B 155 95.283 77.871 46.755 1.00163.36 H +ATOM 5602 HA ASP B 155 95.563 76.229 45.252 1.00174.89 H +ATOM 5603 HB2 ASP B 155 98.324 76.166 46.469 1.00168.51 H +ATOM 5604 HB3 ASP B 155 97.853 75.190 45.091 1.00168.51 H +ATOM 5605 N SER B 156 96.654 73.898 47.246 1.00147.09 N +ATOM 5606 CA SER B 156 96.395 72.573 47.835 1.00150.21 C +ATOM 5607 C SER B 156 96.106 72.538 49.352 1.00141.09 C +ATOM 5608 O SER B 156 95.587 71.533 49.834 1.00135.81 O +ATOM 5609 CB SER B 156 97.602 71.671 47.540 1.00149.58 C +ATOM 5610 OG SER B 156 98.781 72.172 48.154 1.00142.56 O +ATOM 5611 H SER B 156 97.606 74.231 47.288 1.00176.51 H +ATOM 5612 HA SER B 156 95.532 72.133 47.336 1.00180.25 H +ATOM 5613 HB2 SER B 156 97.401 70.665 47.905 1.00179.50 H +ATOM 5614 HB3 SER B 156 97.750 71.618 46.462 1.00179.50 H +ATOM 5615 HG SER B 156 99.508 71.595 47.918 1.00171.07 H +ATOM 5616 N SER B 157 96.415 73.583 50.128 1.00137.37 N +ATOM 5617 CA SER B 157 96.342 73.550 51.602 1.00131.88 C +ATOM 5618 C SER B 157 94.967 73.973 52.145 1.00131.75 C +ATOM 5619 O SER B 157 94.649 75.155 52.008 1.00125.47 O +ATOM 5620 CB SER B 157 97.412 74.496 52.155 1.00131.17 C +ATOM 5621 OG SER B 157 97.294 74.632 53.559 1.00132.88 O +ATOM 5622 H SER B 157 96.793 74.408 49.686 1.00164.85 H +ATOM 5623 HA SER B 157 96.585 72.549 51.958 1.00158.26 H +ATOM 5624 HB2 SER B 157 98.396 74.101 51.910 1.00157.40 H +ATOM 5625 HB3 SER B 157 97.311 75.477 51.692 1.00157.40 H +ATOM 5626 HG SER B 157 96.597 75.263 53.741 1.00159.46 H +ATOM 5627 N PRO B 158 94.156 73.104 52.794 1.00130.52 N +ATOM 5628 CA PRO B 158 92.844 73.477 53.343 1.00124.79 C +ATOM 5629 C PRO B 158 92.915 74.669 54.311 1.00122.66 C +ATOM 5630 O PRO B 158 93.810 74.721 55.157 1.00129.63 O +ATOM 5631 CB PRO B 158 92.285 72.222 54.019 1.00124.10 C +ATOM 5632 CG PRO B 158 92.998 71.086 53.295 1.00128.53 C +ATOM 5633 CD PRO B 158 94.374 71.680 52.996 1.00129.95 C +ATOM 5634 HA PRO B 158 92.197 73.725 52.501 1.00149.75 H +ATOM 5635 HB2 PRO B 158 92.561 72.204 55.073 1.00148.92 H +ATOM 5636 HB3 PRO B 158 91.203 72.152 53.909 1.00148.92 H +ATOM 5637 HG2 PRO B 158 93.069 70.193 53.915 1.00154.23 H +ATOM 5638 HG3 PRO B 158 92.481 70.863 52.363 1.00154.23 H +ATOM 5639 HD2 PRO B 158 95.029 71.538 53.855 1.00155.94 H +ATOM 5640 HD3 PRO B 158 94.801 71.195 52.119 1.00155.94 H +ATOM 5641 N VAL B 159 92.012 75.644 54.173 1.00114.61 N +ATOM 5642 CA VAL B 159 92.173 76.987 54.780 1.00116.45 C +ATOM 5643 C VAL B 159 91.382 77.225 56.075 1.00110.23 C +ATOM 5644 O VAL B 159 90.407 76.533 56.370 1.00107.02 O +ATOM 5645 CB VAL B 159 91.863 78.106 53.769 1.00120.51 C +ATOM 5646 CG1 VAL B 159 92.663 77.952 52.478 1.00126.69 C +ATOM 5647 CG2 VAL B 159 90.380 78.172 53.412 1.00115.20 C +ATOM 5648 H VAL B 159 91.280 75.516 53.490 1.00137.53 H +ATOM 5649 HA VAL B 159 93.225 77.108 55.039 1.00139.74 H +ATOM 5650 HB VAL B 159 92.142 79.062 54.211 1.00144.61 H +ATOM 5651 HG11 VAL B 159 92.537 78.840 51.860 1.00152.03 H +ATOM 5652 HG12 VAL B 159 93.718 77.831 52.717 1.00152.03 H +ATOM 5653 HG13 VAL B 159 92.308 77.082 51.928 1.00152.03 H +ATOM 5654 HG21 VAL B 159 90.208 78.955 52.675 1.00138.24 H +ATOM 5655 HG22 VAL B 159 90.047 77.211 53.023 1.00138.24 H +ATOM 5656 HG23 VAL B 159 89.789 78.400 54.297 1.00138.24 H +ATOM 5657 N LYS B 160 91.785 78.267 56.816 1.00111.16 N +ATOM 5658 CA LYS B 160 91.057 78.847 57.965 1.00112.46 C +ATOM 5659 C LYS B 160 91.325 80.353 58.157 1.00112.10 C +ATOM 5660 O LYS B 160 90.471 81.063 58.677 1.00105.95 O +ATOM 5661 CB LYS B 160 91.370 78.044 59.246 1.00104.96 C +ATOM 5662 CG LYS B 160 90.111 77.600 60.008 1.00102.91 C +ATOM 5663 CD LYS B 160 89.254 78.757 60.539 1.00103.72 C +ATOM 5664 CE LYS B 160 88.135 78.211 61.430 1.00106.98 C +ATOM 5665 NZ LYS B 160 87.393 79.304 62.098 1.00105.66 N +ATOM 5666 H LYS B 160 92.637 78.718 56.520 1.00133.39 H +ATOM 5667 HA LYS B 160 89.992 78.753 57.759 1.00134.95 H +ATOM 5668 HB2 LYS B 160 91.921 77.140 58.991 1.00125.95 H +ATOM 5669 HB3 LYS B 160 92.006 78.628 59.909 1.00125.95 H +ATOM 5670 HG2 LYS B 160 89.503 76.973 59.356 1.00123.50 H +ATOM 5671 HG3 LYS B 160 90.433 76.990 60.851 1.00123.50 H +ATOM 5672 HD2 LYS B 160 89.887 79.428 61.119 1.00124.46 H +ATOM 5673 HD3 LYS B 160 88.809 79.304 59.709 1.00124.46 H +ATOM 5674 HE2 LYS B 160 87.459 77.613 60.821 1.00128.38 H +ATOM 5675 HE3 LYS B 160 88.577 77.556 62.179 1.00128.38 H +ATOM 5676 HZ1 LYS B 160 86.664 78.936 62.685 1.00126.79 H +ATOM 5677 HZ2 LYS B 160 88.000 79.854 62.681 1.00126.79 H +ATOM 5678 HZ3 LYS B 160 86.964 79.920 61.428 1.00126.79 H +ATOM 5679 N ALA B 161 92.460 80.872 57.687 1.00111.59 N +ATOM 5680 CA ALA B 161 92.722 82.313 57.606 1.00116.78 C +ATOM 5681 C ALA B 161 91.818 83.006 56.562 1.00105.23 C +ATOM 5682 O ALA B 161 91.598 82.474 55.475 1.00104.35 O +ATOM 5683 CB ALA B 161 94.207 82.528 57.278 1.00116.05 C +ATOM 5684 H ALA B 161 93.166 80.249 57.324 1.00133.90 H +ATOM 5685 HA ALA B 161 92.524 82.759 58.580 1.00140.13 H +ATOM 5686 HB1 ALA B 161 94.428 83.594 57.266 1.00139.27 H +ATOM 5687 HB2 ALA B 161 94.828 82.053 58.037 1.00139.27 H +ATOM 5688 HB3 ALA B 161 94.441 82.107 56.301 1.00139.27 H +ATOM 5689 N GLY B 162 91.291 84.194 56.874 1.00 99.05 N +ATOM 5690 CA GLY B 162 90.467 84.994 55.956 1.00 88.18 C +ATOM 5691 C GLY B 162 89.072 84.437 55.647 1.00 85.28 C +ATOM 5692 O GLY B 162 88.341 85.050 54.874 1.00 83.30 O +ATOM 5693 H GLY B 162 91.518 84.595 57.772 1.00118.86 H +ATOM 5694 HA2 GLY B 162 90.344 85.994 56.370 1.00105.82 H +ATOM 5695 HA3 GLY B 162 90.999 85.083 55.009 1.00105.82 H +ATOM 5696 N VAL B 163 88.700 83.286 56.213 1.00 79.45 N +ATOM 5697 CA VAL B 163 87.467 82.545 55.905 1.00 73.03 C +ATOM 5698 C VAL B 163 86.215 83.248 56.397 1.00 59.99 C +ATOM 5699 O VAL B 163 86.112 83.596 57.571 1.00 61.18 O +ATOM 5700 CB VAL B 163 87.521 81.132 56.520 1.00 82.42 C +ATOM 5701 CG1 VAL B 163 86.174 80.398 56.609 1.00 74.11 C +ATOM 5702 CG2 VAL B 163 88.437 80.266 55.663 1.00 94.75 C +ATOM 5703 H VAL B 163 89.346 82.861 56.862 1.00 95.35 H +ATOM 5704 HA VAL B 163 87.372 82.442 54.825 1.00 87.64 H +ATOM 5705 HB VAL B 163 87.931 81.192 57.527 1.00 98.91 H +ATOM 5706 HG11 VAL B 163 86.330 79.377 56.954 1.00 88.93 H +ATOM 5707 HG12 VAL B 163 85.518 80.886 57.328 1.00 88.93 H +ATOM 5708 HG13 VAL B 163 85.690 80.373 55.634 1.00 88.93 H +ATOM 5709 HG21 VAL B 163 88.512 79.270 56.096 1.00113.70 H +ATOM 5710 HG22 VAL B 163 88.031 80.179 54.657 1.00113.70 H +ATOM 5711 HG23 VAL B 163 89.431 80.707 55.609 1.00113.70 H +ATOM 5712 N GLU B 164 85.208 83.311 55.531 1.00 51.75 N +ATOM 5713 CA GLU B 164 83.808 83.408 55.911 1.00 43.65 C +ATOM 5714 C GLU B 164 82.961 82.451 55.071 1.00 39.31 C +ATOM 5715 O GLU B 164 83.168 82.309 53.866 1.00 46.97 O +ATOM 5716 CB GLU B 164 83.340 84.862 55.804 1.00 45.18 C +ATOM 5717 CG GLU B 164 81.845 85.100 56.059 1.00 34.82 C +ATOM 5718 CD GLU B 164 81.382 84.708 57.465 1.00 40.28 C +ATOM 5719 OE1 GLU B 164 81.540 83.533 57.855 1.00 42.31 O +ATOM 5720 OE2 GLU B 164 80.837 85.576 58.176 1.00 44.70 O +ATOM 5721 H GLU B 164 85.392 83.143 54.554 1.00 62.11 H +ATOM 5722 HA GLU B 164 83.716 83.094 56.951 1.00 52.38 H +ATOM 5723 HB2 GLU B 164 83.907 85.466 56.510 1.00 54.22 H +ATOM 5724 HB3 GLU B 164 83.566 85.224 54.802 1.00 54.22 H +ATOM 5725 HG2 GLU B 164 81.649 86.159 55.901 1.00 41.78 H +ATOM 5726 HG3 GLU B 164 81.259 84.556 55.320 1.00 41.78 H +ATOM 5727 N THR B 165 81.970 81.832 55.704 1.00 33.16 N +ATOM 5728 CA THR B 165 81.043 80.879 55.088 1.00 30.53 C +ATOM 5729 C THR B 165 79.626 81.240 55.497 1.00 28.63 C +ATOM 5730 O THR B 165 79.173 80.919 56.594 1.00 34.54 O +ATOM 5731 CB THR B 165 81.379 79.438 55.488 1.00 33.34 C +ATOM 5732 OG1 THR B 165 82.687 79.126 55.068 1.00 40.92 O +ATOM 5733 CG2 THR B 165 80.440 78.431 54.823 1.00 30.87 C +ATOM 5734 H THR B 165 81.814 82.083 56.668 1.00 39.79 H +ATOM 5735 HA THR B 165 81.115 80.938 54.003 1.00 36.63 H +ATOM 5736 HB THR B 165 81.319 79.332 56.571 1.00 40.01 H +ATOM 5737 HG1 THR B 165 82.925 78.306 55.468 1.00 49.10 H +ATOM 5738 HG21 THR B 165 80.756 77.418 55.068 1.00 37.04 H +ATOM 5739 HG22 THR B 165 79.422 78.562 55.186 1.00 37.04 H +ATOM 5740 HG23 THR B 165 80.457 78.560 53.742 1.00 37.04 H +ATOM 5741 N THR B 166 78.933 81.970 54.629 1.00 22.19 N +ATOM 5742 CA THR B 166 77.624 82.549 54.954 1.00 17.84 C +ATOM 5743 C THR B 166 76.544 81.495 55.164 1.00 16.56 C +ATOM 5744 O THR B 166 76.668 80.352 54.722 1.00 18.68 O +ATOM 5745 CB THR B 166 77.166 83.523 53.870 1.00 23.29 C +ATOM 5746 OG1 THR B 166 77.043 82.873 52.629 1.00 27.90 O +ATOM 5747 CG2 THR B 166 78.123 84.700 53.723 1.00 29.13 C +ATOM 5748 H THR B 166 79.357 82.184 53.740 1.00 26.63 H +ATOM 5749 HA THR B 166 77.716 83.107 55.885 1.00 21.41 H +ATOM 5750 HB THR B 166 76.191 83.923 54.144 1.00 27.95 H +ATOM 5751 HG1 THR B 166 77.864 82.433 52.402 1.00 33.48 H +ATOM 5752 HG21 THR B 166 77.702 85.414 53.017 1.00 34.95 H +ATOM 5753 HG22 THR B 166 78.237 85.197 54.685 1.00 34.95 H +ATOM 5754 HG23 THR B 166 79.100 84.374 53.367 1.00 34.95 H +ATOM 5755 N THR B 167 75.436 81.892 55.789 1.00 16.11 N +ATOM 5756 CA THR B 167 74.196 81.122 55.653 1.00 19.37 C +ATOM 5757 C THR B 167 73.808 80.997 54.177 1.00 21.06 C +ATOM 5758 O THR B 167 73.906 81.974 53.437 1.00 25.13 O +ATOM 5759 CB THR B 167 73.022 81.738 56.438 1.00 19.54 C +ATOM 5760 OG1 THR B 167 71.853 80.975 56.237 1.00 22.71 O +ATOM 5761 CG2 THR B 167 72.637 83.164 56.047 1.00 23.91 C +ATOM 5762 H THR B 167 75.390 82.823 56.176 1.00 19.34 H +ATOM 5763 HA THR B 167 74.374 80.133 56.073 1.00 23.24 H +ATOM 5764 HB THR B 167 73.273 81.724 57.498 1.00 23.44 H +ATOM 5765 HG1 THR B 167 71.513 81.162 55.360 1.00 27.25 H +ATOM 5766 HG21 THR B 167 71.879 83.532 56.736 1.00 28.69 H +ATOM 5767 HG22 THR B 167 73.502 83.822 56.106 1.00 28.69 H +ATOM 5768 HG23 THR B 167 72.229 83.185 55.037 1.00 28.69 H +ATOM 5769 N PRO B 168 73.286 79.847 53.736 1.00 23.09 N +ATOM 5770 CA PRO B 168 72.534 79.764 52.498 1.00 24.72 C +ATOM 5771 C PRO B 168 71.344 80.715 52.494 1.00 23.80 C +ATOM 5772 O PRO B 168 70.867 81.135 53.550 1.00 24.19 O +ATOM 5773 CB PRO B 168 72.058 78.315 52.403 1.00 37.64 C +ATOM 5774 CG PRO B 168 73.077 77.558 53.249 1.00 25.41 C +ATOM 5775 CD PRO B 168 73.379 78.549 54.367 1.00 33.47 C +ATOM 5776 HA PRO B 168 73.200 79.992 51.666 1.00 29.66 H +ATOM 5777 HB2 PRO B 168 71.073 78.209 52.854 1.00 45.17 H +ATOM 5778 HB3 PRO B 168 72.043 77.955 51.375 1.00 45.17 H +ATOM 5779 HG2 PRO B 168 72.671 76.624 53.634 1.00 30.49 H +ATOM 5780 HG3 PRO B 168 73.978 77.378 52.665 1.00 30.49 H +ATOM 5781 HD2 PRO B 168 72.627 78.465 55.151 1.00 40.16 H +ATOM 5782 HD3 PRO B 168 74.374 78.365 54.768 1.00 40.16 H +ATOM 5783 N SER B 169 70.827 80.984 51.302 1.00 27.28 N +ATOM 5784 CA SER B 169 69.533 81.613 51.081 1.00 31.73 C +ATOM 5785 C SER B 169 68.607 80.681 50.323 1.00 33.97 C +ATOM 5786 O SER B 169 68.980 80.105 49.304 1.00 34.72 O +ATOM 5787 CB SER B 169 69.683 82.903 50.285 1.00 38.81 C +ATOM 5788 OG SER B 169 68.441 83.582 50.231 1.00 40.73 O +ATOM 5789 H SER B 169 71.287 80.584 50.498 1.00 32.74 H +ATOM 5790 HA SER B 169 69.075 81.861 52.039 1.00 38.08 H +ATOM 5791 HB2 SER B 169 70.410 83.537 50.791 1.00 46.58 H +ATOM 5792 HB3 SER B 169 70.039 82.685 49.279 1.00 46.58 H +ATOM 5793 HG SER B 169 67.805 83.113 49.690 1.00 48.87 H +ATOM 5794 N LYS B 170 67.358 80.592 50.754 1.00 32.89 N +ATOM 5795 CA LYS B 170 66.271 80.157 49.888 1.00 35.68 C +ATOM 5796 C LYS B 170 66.122 81.228 48.807 1.00 39.01 C +ATOM 5797 O LYS B 170 66.014 82.406 49.134 1.00 43.06 O +ATOM 5798 CB LYS B 170 65.049 80.002 50.799 1.00 45.57 C +ATOM 5799 CG LYS B 170 63.866 79.246 50.193 1.00 59.38 C +ATOM 5800 CD LYS B 170 62.840 78.988 51.307 1.00 64.30 C +ATOM 5801 CE LYS B 170 61.620 78.221 50.799 1.00 71.08 C +ATOM 5802 NZ LYS B 170 60.655 77.975 51.898 1.00 76.64 N +ATOM 5803 H LYS B 170 67.115 81.068 51.610 1.00 39.46 H +ATOM 5804 HA LYS B 170 66.514 79.199 49.429 1.00 42.82 H +ATOM 5805 HB2 LYS B 170 65.364 79.453 51.685 1.00 54.68 H +ATOM 5806 HB3 LYS B 170 64.711 80.986 51.122 1.00 54.68 H +ATOM 5807 HG2 LYS B 170 63.416 79.847 49.405 1.00 71.25 H +ATOM 5808 HG3 LYS B 170 64.210 78.296 49.785 1.00 71.25 H +ATOM 5809 HD2 LYS B 170 63.312 78.407 52.098 1.00 77.16 H +ATOM 5810 HD3 LYS B 170 62.515 79.942 51.720 1.00 77.16 H +ATOM 5811 HE2 LYS B 170 61.146 78.806 50.013 1.00 85.30 H +ATOM 5812 HE3 LYS B 170 61.949 77.275 50.373 1.00 85.30 H +ATOM 5813 HZ1 LYS B 170 59.846 77.470 51.571 1.00 91.96 H +ATOM 5814 HZ2 LYS B 170 61.071 77.433 52.638 1.00 91.96 H +ATOM 5815 HZ3 LYS B 170 60.329 78.840 52.300 1.00 91.96 H +ATOM 5816 N GLN B 171 66.244 80.870 47.539 1.00 44.87 N +ATOM 5817 CA GLN B 171 66.064 81.777 46.399 1.00 51.52 C +ATOM 5818 C GLN B 171 64.588 82.159 46.208 1.00 54.75 C +ATOM 5819 O GLN B 171 63.698 81.526 46.766 1.00 52.59 O +ATOM 5820 CB GLN B 171 66.630 81.094 45.141 1.00 51.72 C +ATOM 5821 CG GLN B 171 68.048 81.574 44.812 1.00 51.58 C +ATOM 5822 CD GLN B 171 68.074 82.932 44.115 1.00 58.73 C +ATOM 5823 OE1 GLN B 171 67.070 83.451 43.660 1.00 54.96 O +ATOM 5824 NE2 GLN B 171 69.222 83.549 43.984 1.00 57.32 N +ATOM 5825 H GLN B 171 66.386 79.891 47.340 1.00 53.85 H +ATOM 5826 HA GLN B 171 66.611 82.702 46.578 1.00 61.82 H +ATOM 5827 HB2 GLN B 171 66.660 80.014 45.284 1.00 62.07 H +ATOM 5828 HB3 GLN B 171 65.987 81.276 44.281 1.00 62.07 H +ATOM 5829 HG2 GLN B 171 68.641 81.616 45.726 1.00 61.89 H +ATOM 5830 HG3 GLN B 171 68.513 80.851 44.143 1.00 61.89 H +ATOM 5831 HE21 GLN B 171 69.233 84.431 43.494 1.00 68.78 H +ATOM 5832 HE22 GLN B 171 70.072 83.138 44.339 1.00 68.78 H +ATOM 5833 N SER B 172 64.294 83.145 45.360 1.00 55.51 N +ATOM 5834 CA SER B 172 62.908 83.475 44.975 1.00 58.24 C +ATOM 5835 C SER B 172 62.229 82.369 44.149 1.00 57.49 C +ATOM 5836 O SER B 172 61.004 82.317 44.089 1.00 59.29 O +ATOM 5837 CB SER B 172 62.849 84.810 44.227 1.00 56.91 C +ATOM 5838 OG SER B 172 63.219 85.874 45.087 1.00 56.35 O +ATOM 5839 H SER B 172 65.051 83.687 44.970 1.00 66.61 H +ATOM 5840 HA SER B 172 62.319 83.588 45.885 1.00 69.89 H +ATOM 5841 HB2 SER B 172 63.512 84.782 43.365 1.00 68.29 H +ATOM 5842 HB3 SER B 172 61.831 84.984 43.882 1.00 68.29 H +ATOM 5843 HG SER B 172 64.151 85.784 45.291 1.00 67.62 H +ATOM 5844 N ASN B 173 62.991 81.435 43.565 1.00 57.60 N +ATOM 5845 CA ASN B 173 62.475 80.159 43.040 1.00 59.72 C +ATOM 5846 C ASN B 173 62.282 79.076 44.130 1.00 56.60 C +ATOM 5847 O ASN B 173 61.827 77.971 43.840 1.00 56.64 O +ATOM 5848 CB ASN B 173 63.398 79.676 41.905 1.00 59.72 C +ATOM 5849 CG ASN B 173 64.798 79.281 42.341 1.00 56.22 C +ATOM 5850 OD1 ASN B 173 65.066 78.995 43.496 1.00 50.83 O +ATOM 5851 ND2 ASN B 173 65.728 79.268 41.424 1.00 52.53 N +ATOM 5852 H ASN B 173 63.991 81.568 43.580 1.00 69.12 H +ATOM 5853 HA ASN B 173 61.492 80.337 42.607 1.00 71.66 H +ATOM 5854 HB2 ASN B 173 62.947 78.811 41.421 1.00 71.66 H +ATOM 5855 HB3 ASN B 173 63.472 80.463 41.156 1.00 71.66 H +ATOM 5856 HD21 ASN B 173 66.683 79.057 41.674 1.00 63.03 H +ATOM 5857 HD22 ASN B 173 65.501 79.517 40.474 1.00 63.03 H +ATOM 5858 N ASN B 174 62.650 79.372 45.378 1.00 54.45 N +ATOM 5859 CA ASN B 174 62.590 78.510 46.556 1.00 48.69 C +ATOM 5860 C ASN B 174 63.399 77.201 46.487 1.00 46.41 C +ATOM 5861 O ASN B 174 63.195 76.295 47.296 1.00 47.17 O +ATOM 5862 CB ASN B 174 61.138 78.367 47.024 1.00 61.01 C +ATOM 5863 CG ASN B 174 60.493 79.725 47.245 1.00 71.19 C +ATOM 5864 OD1 ASN B 174 60.947 80.530 48.038 1.00 67.53 O +ATOM 5865 ND2 ASN B 174 59.423 80.026 46.552 1.00 71.92 N +ATOM 5866 H ASN B 174 62.990 80.308 45.549 1.00 65.35 H +ATOM 5867 HA ASN B 174 63.100 79.072 47.338 1.00 58.43 H +ATOM 5868 HB2 ASN B 174 60.572 77.804 46.284 1.00 73.22 H +ATOM 5869 HB3 ASN B 174 61.101 77.815 47.961 1.00 73.22 H +ATOM 5870 HD21 ASN B 174 59.002 80.930 46.689 1.00 86.31 H +ATOM 5871 HD22 ASN B 174 59.030 79.364 45.901 1.00 86.31 H +ATOM 5872 N LYS B 175 64.378 77.129 45.584 1.00 44.92 N +ATOM 5873 CA LYS B 175 65.575 76.289 45.737 1.00 39.79 C +ATOM 5874 C LYS B 175 66.565 76.983 46.675 1.00 42.29 C +ATOM 5875 O LYS B 175 66.397 78.162 46.978 1.00 47.71 O +ATOM 5876 CB LYS B 175 66.203 76.037 44.363 1.00 40.00 C +ATOM 5877 CG LYS B 175 65.237 75.331 43.401 1.00 46.89 C +ATOM 5878 CD LYS B 175 65.845 75.166 42.005 1.00 50.48 C +ATOM 5879 CE LYS B 175 64.899 74.369 41.101 1.00 53.17 C +ATOM 5880 NZ LYS B 175 65.431 74.243 39.720 1.00 42.55 N +ATOM 5881 H LYS B 175 64.452 77.889 44.924 1.00 53.91 H +ATOM 5882 HA LYS B 175 65.316 75.333 46.191 1.00 47.74 H +ATOM 5883 HB2 LYS B 175 66.520 76.986 43.931 1.00 48.00 H +ATOM 5884 HB3 LYS B 175 67.080 75.406 44.498 1.00 48.00 H +ATOM 5885 HG2 LYS B 175 64.995 74.350 43.806 1.00 56.27 H +ATOM 5886 HG3 LYS B 175 64.317 75.905 43.304 1.00 56.27 H +ATOM 5887 HD2 LYS B 175 66.021 76.151 41.578 1.00 60.58 H +ATOM 5888 HD3 LYS B 175 66.787 74.628 42.086 1.00 60.58 H +ATOM 5889 HE2 LYS B 175 64.743 73.384 41.537 1.00 63.80 H +ATOM 5890 HE3 LYS B 175 63.934 74.874 41.080 1.00 63.80 H +ATOM 5891 HZ1 LYS B 175 64.792 73.725 39.138 1.00 51.05 H +ATOM 5892 HZ2 LYS B 175 65.551 75.146 39.289 1.00 51.05 H +ATOM 5893 HZ3 LYS B 175 66.317 73.762 39.698 1.00 51.05 H +ATOM 5894 N TYR B 176 67.601 76.300 47.145 1.00 39.12 N +ATOM 5895 CA TYR B 176 68.653 76.950 47.937 1.00 34.96 C +ATOM 5896 C TYR B 176 69.811 77.454 47.070 1.00 35.23 C +ATOM 5897 O TYR B 176 70.019 77.005 45.944 1.00 37.88 O +ATOM 5898 CB TYR B 176 69.120 76.021 49.059 1.00 31.41 C +ATOM 5899 CG TYR B 176 68.108 75.885 50.177 1.00 30.89 C +ATOM 5900 CD1 TYR B 176 67.889 76.968 51.048 1.00 34.26 C +ATOM 5901 CD2 TYR B 176 67.366 74.700 50.335 1.00 32.32 C +ATOM 5902 CE1 TYR B 176 66.925 76.875 52.068 1.00 24.87 C +ATOM 5903 CE2 TYR B 176 66.404 74.600 51.356 1.00 26.13 C +ATOM 5904 CZ TYR B 176 66.177 75.692 52.217 1.00 21.31 C +ATOM 5905 OH TYR B 176 65.231 75.604 53.186 1.00 26.39 O +ATOM 5906 H TYR B 176 67.708 75.328 46.894 1.00 46.95 H +ATOM 5907 HA TYR B 176 68.239 77.831 48.426 1.00 41.95 H +ATOM 5908 HB2 TYR B 176 69.324 75.038 48.638 1.00 37.69 H +ATOM 5909 HB3 TYR B 176 70.045 76.405 49.488 1.00 37.69 H +ATOM 5910 HD1 TYR B 176 68.465 77.874 50.934 1.00 41.11 H +ATOM 5911 HD2 TYR B 176 67.524 73.869 49.665 1.00 38.79 H +ATOM 5912 HE1 TYR B 176 66.762 77.708 52.735 1.00 29.85 H +ATOM 5913 HE2 TYR B 176 65.826 73.697 51.476 1.00 31.36 H +ATOM 5914 HH TYR B 176 65.243 76.371 53.755 1.00 31.67 H +ATOM 5915 N ALA B 177 70.560 78.408 47.610 1.00 36.86 N +ATOM 5916 CA ALA B 177 71.808 78.943 47.082 1.00 35.88 C +ATOM 5917 C ALA B 177 72.751 79.305 48.243 1.00 30.68 C +ATOM 5918 O ALA B 177 72.294 79.625 49.336 1.00 31.33 O +ATOM 5919 CB ALA B 177 71.493 80.150 46.195 1.00 38.21 C +ATOM 5920 H ALA B 177 70.249 78.803 48.484 1.00 44.23 H +ATOM 5921 HA ALA B 177 72.296 78.172 46.487 1.00 43.05 H +ATOM 5922 HB1 ALA B 177 72.411 80.554 45.769 1.00 45.86 H +ATOM 5923 HB2 ALA B 177 70.824 79.853 45.389 1.00 45.86 H +ATOM 5924 HB3 ALA B 177 71.011 80.925 46.790 1.00 45.86 H +ATOM 5925 N ALA B 178 74.061 79.232 48.043 1.00 23.29 N +ATOM 5926 CA ALA B 178 75.053 79.368 49.103 1.00 17.31 C +ATOM 5927 C ALA B 178 76.355 79.935 48.556 1.00 19.03 C +ATOM 5928 O ALA B 178 76.682 79.732 47.389 1.00 28.68 O +ATOM 5929 CB ALA B 178 75.284 77.992 49.732 1.00 23.64 C +ATOM 5930 H ALA B 178 74.399 79.060 47.108 1.00 27.95 H +ATOM 5931 HA ALA B 178 74.683 80.054 49.865 1.00 20.77 H +ATOM 5932 HB1 ALA B 178 75.998 78.075 50.549 1.00 28.37 H +ATOM 5933 HB2 ALA B 178 74.349 77.598 50.125 1.00 28.37 H +ATOM 5934 HB3 ALA B 178 75.674 77.302 48.987 1.00 28.37 H +ATOM 5935 N SER B 179 77.118 80.630 49.390 1.00 17.20 N +ATOM 5936 CA SER B 179 78.332 81.313 48.941 1.00 22.73 C +ATOM 5937 C SER B 179 79.374 81.515 50.037 1.00 24.78 C +ATOM 5938 O SER B 179 79.072 81.625 51.227 1.00 32.90 O +ATOM 5939 CB SER B 179 77.957 82.637 48.263 1.00 32.59 C +ATOM 5940 OG SER B 179 76.902 83.318 48.920 1.00 34.63 O +ATOM 5941 H SER B 179 76.826 80.748 50.349 1.00 20.64 H +ATOM 5942 HA SER B 179 78.808 80.687 48.186 1.00 27.28 H +ATOM 5943 HB2 SER B 179 78.834 83.279 48.193 1.00 39.11 H +ATOM 5944 HB3 SER B 179 77.623 82.413 47.251 1.00 39.11 H +ATOM 5945 HG SER B 179 77.132 83.456 49.840 1.00 41.55 H +ATOM 5946 N SER B 180 80.626 81.604 49.622 1.00 27.37 N +ATOM 5947 CA SER B 180 81.783 81.691 50.509 1.00 35.56 C +ATOM 5948 C SER B 180 82.680 82.848 50.116 1.00 46.58 C +ATOM 5949 O SER B 180 82.762 83.197 48.942 1.00 52.48 O +ATOM 5950 CB SER B 180 82.575 80.384 50.497 1.00 46.02 C +ATOM 5951 OG SER B 180 82.958 80.039 49.180 1.00 53.51 O +ATOM 5952 H SER B 180 80.803 81.614 48.628 1.00 32.85 H +ATOM 5953 HA SER B 180 81.455 81.863 51.534 1.00 42.67 H +ATOM 5954 HB2 SER B 180 83.463 80.496 51.115 1.00 55.23 H +ATOM 5955 HB3 SER B 180 81.965 79.588 50.919 1.00 55.23 H +ATOM 5956 HG SER B 180 82.220 79.589 48.774 1.00 64.21 H +ATOM 5957 N TYR B 181 83.352 83.433 51.102 1.00 54.54 N +ATOM 5958 CA TYR B 181 84.200 84.607 50.938 1.00 61.40 C +ATOM 5959 C TYR B 181 85.529 84.396 51.657 1.00 71.71 C +ATOM 5960 O TYR B 181 85.562 83.940 52.798 1.00 72.29 O +ATOM 5961 CB TYR B 181 83.481 85.845 51.483 1.00 59.79 C +ATOM 5962 CG TYR B 181 82.235 86.271 50.724 1.00 72.69 C +ATOM 5963 CD1 TYR B 181 81.005 85.621 50.948 1.00 64.99 C +ATOM 5964 CD2 TYR B 181 82.283 87.382 49.860 1.00 72.76 C +ATOM 5965 CE1 TYR B 181 79.836 86.061 50.294 1.00 64.47 C +ATOM 5966 CE2 TYR B 181 81.114 87.833 49.214 1.00 75.91 C +ATOM 5967 CZ TYR B 181 79.888 87.171 49.421 1.00 70.25 C +ATOM 5968 OH TYR B 181 78.766 87.612 48.793 1.00 64.18 O +ATOM 5969 H TYR B 181 83.287 83.048 52.033 1.00 65.45 H +ATOM 5970 HA TYR B 181 84.410 84.767 49.881 1.00 73.68 H +ATOM 5971 HB2 TYR B 181 83.203 85.659 52.520 1.00 71.75 H +ATOM 5972 HB3 TYR B 181 84.185 86.676 51.495 1.00 71.75 H +ATOM 5973 HD1 TYR B 181 80.955 84.791 51.636 1.00 77.98 H +ATOM 5974 HD2 TYR B 181 83.214 87.903 49.698 1.00 87.31 H +ATOM 5975 HE1 TYR B 181 78.896 85.560 50.472 1.00 77.36 H +ATOM 5976 HE2 TYR B 181 81.150 88.690 48.559 1.00 91.09 H +ATOM 5977 HH TYR B 181 78.025 87.027 48.932 1.00 77.02 H +ATOM 5978 N LEU B 182 86.624 84.762 50.998 1.00 78.67 N +ATOM 5979 CA LEU B 182 87.979 84.598 51.502 1.00100.45 C +ATOM 5980 C LEU B 182 88.737 85.923 51.367 1.00104.54 C +ATOM 5981 O LEU B 182 89.249 86.269 50.301 1.00102.85 O +ATOM 5982 CB LEU B 182 88.614 83.408 50.762 1.00 98.54 C +ATOM 5983 CG LEU B 182 89.828 82.791 51.480 1.00114.50 C +ATOM 5984 CD1 LEU B 182 89.428 82.074 52.766 1.00104.08 C +ATOM 5985 CD2 LEU B 182 90.493 81.746 50.585 1.00116.02 C +ATOM 5986 H LEU B 182 86.522 85.026 50.029 1.00 94.40 H +ATOM 5987 HA LEU B 182 87.927 84.355 52.563 1.00120.54 H +ATOM 5988 HB2 LEU B 182 87.867 82.625 50.639 1.00118.25 H +ATOM 5989 HB3 LEU B 182 88.911 83.734 49.766 1.00118.25 H +ATOM 5990 HG LEU B 182 90.550 83.572 51.716 1.00137.40 H +ATOM 5991 HD11 LEU B 182 90.294 81.571 53.194 1.00124.89 H +ATOM 5992 HD12 LEU B 182 89.072 82.802 53.494 1.00124.89 H +ATOM 5993 HD13 LEU B 182 88.647 81.343 52.562 1.00124.89 H +ATOM 5994 HD21 LEU B 182 91.381 81.350 51.077 1.00139.23 H +ATOM 5995 HD22 LEU B 182 89.801 80.930 50.378 1.00139.23 H +ATOM 5996 HD23 LEU B 182 90.794 82.203 49.643 1.00139.23 H +ATOM 5997 N SER B 183 88.712 86.721 52.432 1.00 98.31 N +ATOM 5998 CA SER B 183 89.353 88.037 52.473 1.00104.59 C +ATOM 5999 C SER B 183 90.828 87.893 52.799 1.00114.14 C +ATOM 6000 O SER B 183 91.205 87.273 53.792 1.00107.49 O +ATOM 6001 CB SER B 183 88.687 88.967 53.481 1.00 97.12 C +ATOM 6002 OG SER B 183 87.330 89.126 53.132 1.00110.30 O +ATOM 6003 H SER B 183 88.287 86.372 53.278 1.00117.97 H +ATOM 6004 HA SER B 183 89.269 88.497 51.489 1.00125.50 H +ATOM 6005 HB2 SER B 183 88.764 88.546 54.482 1.00116.55 H +ATOM 6006 HB3 SER B 183 89.179 89.938 53.460 1.00116.55 H +ATOM 6007 HG SER B 183 87.306 89.445 52.228 1.00132.36 H +ATOM 6008 N LEU B 184 91.669 88.450 51.935 1.00120.40 N +ATOM 6009 CA LEU B 184 93.094 88.156 51.899 1.00128.77 C +ATOM 6010 C LEU B 184 93.891 89.408 51.528 1.00140.20 C +ATOM 6011 O LEU B 184 93.418 90.276 50.796 1.00143.23 O +ATOM 6012 CB LEU B 184 93.335 87.037 50.872 1.00128.15 C +ATOM 6013 CG LEU B 184 92.749 85.657 51.211 1.00122.76 C +ATOM 6014 CD1 LEU B 184 92.902 84.760 49.987 1.00121.50 C +ATOM 6015 CD2 LEU B 184 93.452 85.000 52.395 1.00121.77 C +ATOM 6016 H LEU B 184 91.297 89.014 51.184 1.00144.48 H +ATOM 6017 HA LEU B 184 93.437 87.826 52.879 1.00154.52 H +ATOM 6018 HB2 LEU B 184 92.904 87.363 49.926 1.00153.78 H +ATOM 6019 HB3 LEU B 184 94.409 86.925 50.722 1.00153.78 H +ATOM 6020 HG LEU B 184 91.685 85.740 51.434 1.00147.31 H +ATOM 6021 HD11 LEU B 184 92.581 83.748 50.223 1.00145.79 H +ATOM 6022 HD12 LEU B 184 92.287 85.139 49.174 1.00145.79 H +ATOM 6023 HD13 LEU B 184 93.943 84.738 49.667 1.00145.79 H +ATOM 6024 HD21 LEU B 184 93.016 84.020 52.579 1.00146.12 H +ATOM 6025 HD22 LEU B 184 94.514 84.879 52.187 1.00146.12 H +ATOM 6026 HD23 LEU B 184 93.325 85.604 53.291 1.00146.12 H +ATOM 6027 N THR B 185 95.132 89.476 52.000 1.00146.40 N +ATOM 6028 CA THR B 185 96.096 90.472 51.524 1.00155.12 C +ATOM 6029 C THR B 185 96.493 90.171 50.072 1.00180.74 C +ATOM 6030 O THR B 185 96.506 89.001 49.669 1.00149.40 O +ATOM 6031 CB THR B 185 97.367 90.506 52.390 1.00151.12 C +ATOM 6032 OG1 THR B 185 98.065 89.288 52.298 1.00154.42 O +ATOM 6033 CG2 THR B 185 97.096 90.780 53.866 1.00161.02 C +ATOM 6034 H THR B 185 95.469 88.728 52.588 1.00175.68 H +ATOM 6035 HA THR B 185 95.628 91.455 51.573 1.00186.14 H +ATOM 6036 HB THR B 185 98.018 91.293 52.014 1.00181.35 H +ATOM 6037 HG1 THR B 185 97.580 88.660 52.837 1.00185.30 H +ATOM 6038 HG21 THR B 185 98.038 90.837 54.403 1.00193.22 H +ATOM 6039 HG22 THR B 185 96.582 91.730 53.969 1.00193.22 H +ATOM 6040 HG23 THR B 185 96.485 90.000 54.306 1.00193.22 H +ATOM 6041 N PRO B 186 96.921 91.170 49.283 1.00155.18 N +ATOM 6042 CA PRO B 186 97.485 90.912 47.963 1.00162.84 C +ATOM 6043 C PRO B 186 98.684 89.954 48.003 1.00166.86 C +ATOM 6044 O PRO B 186 98.896 89.201 47.063 1.00189.57 O +ATOM 6045 CB PRO B 186 97.872 92.286 47.408 1.00163.51 C +ATOM 6046 CG PRO B 186 97.003 93.271 48.184 1.00168.16 C +ATOM 6047 CD PRO B 186 96.856 92.600 49.546 1.00152.35 C +ATOM 6048 HA PRO B 186 96.713 90.472 47.333 1.00195.41 H +ATOM 6049 HB2 PRO B 186 98.918 92.497 47.628 1.00196.21 H +ATOM 6050 HB3 PRO B 186 97.696 92.353 46.335 1.00196.21 H +ATOM 6051 HG2 PRO B 186 97.483 94.245 48.263 1.00201.80 H +ATOM 6052 HG3 PRO B 186 96.025 93.366 47.714 1.00201.80 H +ATOM 6053 HD2 PRO B 186 97.683 92.894 50.191 1.00182.82 H +ATOM 6054 HD3 PRO B 186 95.905 92.888 49.993 1.00182.82 H +ATOM 6055 N GLU B 187 99.456 89.912 49.089 1.00166.69 N +ATOM 6056 CA GLU B 187 100.572 88.964 49.246 1.00168.52 C +ATOM 6057 C GLU B 187 100.090 87.506 49.325 1.00173.38 C +ATOM 6058 O GLU B 187 100.743 86.610 48.791 1.00176.40 O +ATOM 6059 CB GLU B 187 101.402 89.319 50.493 1.00167.44 C +ATOM 6060 CG GLU B 187 101.872 90.782 50.555 1.00179.71 C +ATOM 6061 CD GLU B 187 102.454 91.282 49.225 1.00182.22 C +ATOM 6062 OE1 GLU B 187 103.283 90.571 48.620 1.00180.40 O +ATOM 6063 OE2 GLU B 187 102.071 92.378 48.759 1.00178.94 O +ATOM 6064 H GLU B 187 99.261 90.550 49.847 1.00200.03 H +ATOM 6065 HA GLU B 187 101.217 89.026 48.370 1.00202.23 H +ATOM 6066 HB2 GLU B 187 100.818 89.106 51.387 1.00200.93 H +ATOM 6067 HB3 GLU B 187 102.278 88.673 50.512 1.00200.93 H +ATOM 6068 HG2 GLU B 187 101.025 91.404 50.838 1.00215.66 H +ATOM 6069 HG3 GLU B 187 102.620 90.874 51.342 1.00215.66 H +ATOM 6070 N GLN B 188 98.912 87.258 49.908 1.00155.66 N +ATOM 6071 CA GLN B 188 98.262 85.939 49.906 1.00166.48 C +ATOM 6072 C GLN B 188 97.638 85.575 48.544 1.00157.86 C +ATOM 6073 O GLN B 188 97.548 84.391 48.220 1.00165.59 O +ATOM 6074 CB GLN B 188 97.220 85.886 51.032 1.00141.92 C +ATOM 6075 CG GLN B 188 97.876 85.785 52.420 1.00154.43 C +ATOM 6076 CD GLN B 188 96.983 86.315 53.532 1.00140.51 C +ATOM 6077 OE1 GLN B 188 96.550 87.456 53.507 1.00131.83 O +ATOM 6078 NE2 GLN B 188 96.692 85.539 54.546 1.00143.24 N +ATOM 6079 H GLN B 188 98.412 88.034 50.315 1.00186.80 H +ATOM 6080 HA GLN B 188 99.012 85.177 50.115 1.00199.77 H +ATOM 6081 HB2 GLN B 188 96.608 86.785 50.977 1.00170.31 H +ATOM 6082 HB3 GLN B 188 96.572 85.021 50.895 1.00170.31 H +ATOM 6083 HG2 GLN B 188 98.139 84.746 52.612 1.00185.31 H +ATOM 6084 HG3 GLN B 188 98.796 86.366 52.443 1.00185.31 H +ATOM 6085 HE21 GLN B 188 96.117 85.914 55.285 1.00171.89 H +ATOM 6086 HE22 GLN B 188 97.051 84.597 54.597 1.00171.89 H +ATOM 6087 N TRP B 189 97.266 86.561 47.718 1.00155.10 N +ATOM 6088 CA TRP B 189 96.904 86.334 46.310 1.00163.64 C +ATOM 6089 C TRP B 189 98.139 86.016 45.452 1.00158.72 C +ATOM 6090 O TRP B 189 98.169 85.036 44.716 1.00173.69 O +ATOM 6091 CB TRP B 189 96.207 87.565 45.709 1.00165.26 C +ATOM 6092 CG TRP B 189 94.828 87.944 46.163 1.00163.14 C +ATOM 6093 CD1 TRP B 189 94.279 87.786 47.389 1.00153.60 C +ATOM 6094 CD2 TRP B 189 93.821 88.646 45.372 1.00162.13 C +ATOM 6095 NE1 TRP B 189 93.005 88.328 47.401 1.00144.82 N +ATOM 6096 CE2 TRP B 189 92.661 88.848 46.173 1.00151.56 C +ATOM 6097 CE3 TRP B 189 93.775 89.127 44.046 1.00165.66 C +ATOM 6098 CZ2 TRP B 189 91.502 89.452 45.670 1.00154.24 C +ATOM 6099 CZ3 TRP B 189 92.621 89.754 43.535 1.00156.62 C +ATOM 6100 CH2 TRP B 189 91.485 89.913 44.342 1.00158.78 C +ATOM 6101 H TRP B 189 97.313 87.512 48.054 1.00186.12 H +ATOM 6102 HA TRP B 189 96.224 85.486 46.235 1.00196.37 H +ATOM 6103 HB2 TRP B 189 96.842 88.440 45.837 1.00198.32 H +ATOM 6104 HB3 TRP B 189 96.137 87.399 44.635 1.00198.32 H +ATOM 6105 HD1 TRP B 189 94.776 87.339 48.236 1.00184.31 H +ATOM 6106 HE1 TRP B 189 92.425 88.374 48.225 1.00173.78 H +ATOM 6107 HE3 TRP B 189 94.647 89.015 43.419 1.00198.79 H +ATOM 6108 HZ2 TRP B 189 90.631 89.548 46.300 1.00185.09 H +ATOM 6109 HZ3 TRP B 189 92.606 90.117 42.519 1.00187.94 H +ATOM 6110 HH2 TRP B 189 90.603 90.384 43.934 1.00190.54 H +ATOM 6111 N LYS B 190 99.183 86.842 45.547 1.00174.15 N +ATOM 6112 CA LYS B 190 100.401 86.736 44.730 1.00156.29 C +ATOM 6113 C LYS B 190 101.269 85.523 45.096 1.00175.54 C +ATOM 6114 O LYS B 190 102.036 85.052 44.258 1.00177.14 O +ATOM 6115 CB LYS B 190 101.192 88.051 44.844 1.00170.69 C +ATOM 6116 CG LYS B 190 100.458 89.224 44.164 1.00177.15 C +ATOM 6117 CD LYS B 190 101.180 90.573 44.311 1.00180.41 C +ATOM 6118 CE LYS B 190 101.260 91.020 45.775 1.00174.95 C +ATOM 6119 NZ LYS B 190 101.839 92.377 45.936 1.00181.29 N +ATOM 6120 H LYS B 190 99.079 87.653 46.140 1.00208.98 H +ATOM 6121 HA LYS B 190 100.117 86.599 43.687 1.00187.55 H +ATOM 6122 HB2 LYS B 190 101.365 88.271 45.897 1.00204.82 H +ATOM 6123 HB3 LYS B 190 102.158 87.929 44.356 1.00204.82 H +ATOM 6124 HG2 LYS B 190 100.366 89.000 43.102 1.00212.57 H +ATOM 6125 HG3 LYS B 190 99.450 89.324 44.565 1.00212.57 H +ATOM 6126 HD2 LYS B 190 102.183 90.490 43.895 1.00216.49 H +ATOM 6127 HD3 LYS B 190 100.631 91.316 43.737 1.00216.49 H +ATOM 6128 HE2 LYS B 190 100.258 90.994 46.190 1.00209.95 H +ATOM 6129 HE3 LYS B 190 101.868 90.305 46.316 1.00209.95 H +ATOM 6130 HZ1 LYS B 190 101.964 92.594 46.913 1.00217.55 H +ATOM 6131 HZ2 LYS B 190 102.743 92.436 45.502 1.00217.55 H +ATOM 6132 HZ3 LYS B 190 101.260 93.085 45.521 1.00217.55 H +ATOM 6133 N SER B 191 101.143 84.994 46.317 1.00166.19 N +ATOM 6134 CA SER B 191 101.811 83.750 46.741 1.00163.59 C +ATOM 6135 C SER B 191 101.003 82.502 46.359 1.00172.27 C +ATOM 6136 O SER B 191 101.509 81.653 45.629 1.00160.23 O +ATOM 6137 CB SER B 191 102.106 83.760 48.245 1.00168.13 C +ATOM 6138 OG SER B 191 102.818 84.930 48.601 1.00167.51 O +ATOM 6139 H SER B 191 100.577 85.497 46.984 1.00199.43 H +ATOM 6140 HA SER B 191 102.772 83.676 46.234 1.00196.31 H +ATOM 6141 HB2 SER B 191 101.175 83.729 48.810 1.00201.76 H +ATOM 6142 HB3 SER B 191 102.700 82.882 48.498 1.00201.76 H +ATOM 6143 HG SER B 191 102.175 85.637 48.681 1.00201.01 H +ATOM 6144 N HIS B 192 99.735 82.399 46.785 1.00154.22 N +ATOM 6145 CA HIS B 192 98.807 81.354 46.330 1.00150.66 C +ATOM 6146 C HIS B 192 98.005 81.853 45.127 1.00168.36 C +ATOM 6147 O HIS B 192 96.851 82.262 45.222 1.00152.75 O +ATOM 6148 CB HIS B 192 97.947 80.833 47.489 1.00148.79 C +ATOM 6149 CG HIS B 192 98.674 79.771 48.270 1.00154.59 C +ATOM 6150 ND1 HIS B 192 99.076 78.562 47.762 1.00153.58 N +ATOM 6151 CD2 HIS B 192 99.175 79.857 49.540 1.00164.93 C +ATOM 6152 CE1 HIS B 192 99.770 77.909 48.705 1.00162.97 C +ATOM 6153 NE2 HIS B 192 99.861 78.664 49.814 1.00162.22 N +ATOM 6154 H HIS B 192 99.345 83.135 47.353 1.00185.06 H +ATOM 6155 HA HIS B 192 99.384 80.504 45.966 1.00180.80 H +ATOM 6156 HB2 HIS B 192 97.672 81.657 48.146 1.00178.55 H +ATOM 6157 HB3 HIS B 192 97.037 80.384 47.093 1.00178.55 H +ATOM 6158 HD1 HIS B 192 98.930 78.258 46.811 1.00184.30 H +ATOM 6159 HD2 HIS B 192 99.068 80.701 50.203 1.00197.91 H +ATOM 6160 HE1 HIS B 192 100.210 76.931 48.581 1.00195.57 H +ATOM 6161 N ARG B 193 98.674 81.842 43.971 1.00155.55 N +ATOM 6162 CA ARG B 193 98.212 82.437 42.705 1.00155.80 C +ATOM 6163 C ARG B 193 96.910 81.820 42.197 1.00149.20 C +ATOM 6164 O ARG B 193 96.207 82.440 41.403 1.00150.42 O +ATOM 6165 CB ARG B 193 99.350 82.334 41.675 1.00162.25 C +ATOM 6166 CG ARG B 193 100.562 83.167 42.127 1.00167.04 C +ATOM 6167 CD ARG B 193 101.844 82.814 41.379 1.00183.41 C +ATOM 6168 NE ARG B 193 102.998 83.421 42.062 1.00181.08 N +ATOM 6169 CZ ARG B 193 104.264 83.081 41.942 1.00182.97 C +ATOM 6170 NH1 ARG B 193 105.170 83.677 42.658 1.00188.22 N +ATOM 6171 NH2 ARG B 193 104.660 82.155 41.119 1.00181.13 N +ATOM 6172 H ARG B 193 99.611 81.470 43.999 1.00186.67 H +ATOM 6173 HA ARG B 193 97.990 83.492 42.864 1.00186.96 H +ATOM 6174 HB2 ARG B 193 99.638 81.289 41.566 1.00194.70 H +ATOM 6175 HB3 ARG B 193 99.012 82.702 40.707 1.00194.70 H +ATOM 6176 HG2 ARG B 193 100.341 84.224 41.997 1.00200.45 H +ATOM 6177 HG3 ARG B 193 100.753 82.990 43.182 1.00200.45 H +ATOM 6178 HD2 ARG B 193 101.955 81.732 41.369 1.00220.10 H +ATOM 6179 HD3 ARG B 193 101.779 83.176 40.356 1.00220.10 H +ATOM 6180 HE ARG B 193 102.795 84.133 42.747 1.00217.29 H +ATOM 6181 HH11 ARG B 193 104.902 84.402 43.306 1.00225.86 H +ATOM 6182 HH12 ARG B 193 106.138 83.412 42.565 1.00225.86 H +ATOM 6183 HH21 ARG B 193 103.976 81.690 40.541 1.00217.36 H +ATOM 6184 HH22 ARG B 193 105.636 81.913 41.056 1.00217.36 H +ATOM 6185 N SER B 194 96.540 80.649 42.712 1.00143.53 N +ATOM 6186 CA SER B 194 95.183 80.125 42.646 1.00141.32 C +ATOM 6187 C SER B 194 94.734 79.588 44.008 1.00130.45 C +ATOM 6188 O SER B 194 95.532 79.242 44.876 1.00135.89 O +ATOM 6189 CB SER B 194 95.078 79.078 41.531 1.00148.98 C +ATOM 6190 OG SER B 194 93.766 78.570 41.410 1.00136.75 O +ATOM 6191 H SER B 194 97.168 80.206 43.365 1.00172.24 H +ATOM 6192 HA SER B 194 94.511 80.944 42.392 1.00169.58 H +ATOM 6193 HB2 SER B 194 95.364 79.538 40.586 1.00178.77 H +ATOM 6194 HB3 SER B 194 95.760 78.255 41.737 1.00178.77 H +ATOM 6195 HG SER B 194 93.164 79.317 41.422 1.00164.10 H +ATOM 6196 N TYR B 195 93.422 79.507 44.191 1.00126.35 N +ATOM 6197 CA TYR B 195 92.794 78.770 45.275 1.00117.61 C +ATOM 6198 C TYR B 195 91.956 77.666 44.651 1.00108.39 C +ATOM 6199 O TYR B 195 91.368 77.859 43.585 1.00109.17 O +ATOM 6200 CB TYR B 195 91.973 79.712 46.156 1.00112.91 C +ATOM 6201 CG TYR B 195 92.822 80.608 47.031 1.00122.87 C +ATOM 6202 CD1 TYR B 195 93.574 81.654 46.467 1.00132.78 C +ATOM 6203 CD2 TYR B 195 92.912 80.350 48.410 1.00122.29 C +ATOM 6204 CE1 TYR B 195 94.483 82.377 47.259 1.00140.95 C +ATOM 6205 CE2 TYR B 195 93.820 81.072 49.206 1.00132.89 C +ATOM 6206 CZ TYR B 195 94.644 82.054 48.621 1.00139.75 C +ATOM 6207 OH TYR B 195 95.604 82.670 49.361 1.00151.47 O +ATOM 6208 H TYR B 195 92.828 79.782 43.422 1.00151.62 H +ATOM 6209 HA TYR B 195 93.546 78.297 45.906 1.00141.13 H +ATOM 6210 HB2 TYR B 195 91.320 80.323 45.534 1.00135.49 H +ATOM 6211 HB3 TYR B 195 91.342 79.103 46.804 1.00135.49 H +ATOM 6212 HD1 TYR B 195 93.486 81.887 45.417 1.00159.34 H +ATOM 6213 HD2 TYR B 195 92.316 79.567 48.855 1.00146.75 H +ATOM 6214 HE1 TYR B 195 95.086 83.155 46.816 1.00169.14 H +ATOM 6215 HE2 TYR B 195 93.917 80.856 50.259 1.00159.47 H +ATOM 6216 HH TYR B 195 96.202 83.180 48.811 1.00181.76 H +ATOM 6217 N SER B 196 91.892 76.516 45.311 1.00108.84 N +ATOM 6218 CA SER B 196 91.052 75.391 44.905 1.00108.56 C +ATOM 6219 C SER B 196 90.089 75.030 46.026 1.00 99.87 C +ATOM 6220 O SER B 196 90.358 75.307 47.184 1.00 98.79 O +ATOM 6221 CB SER B 196 91.887 74.186 44.464 1.00104.64 C +ATOM 6222 OG SER B 196 92.365 73.435 45.554 1.00111.06 O +ATOM 6223 H SER B 196 92.317 76.462 46.225 1.00130.61 H +ATOM 6224 HA SER B 196 90.446 75.693 44.051 1.00130.28 H +ATOM 6225 HB2 SER B 196 91.251 73.529 43.872 1.00125.57 H +ATOM 6226 HB3 SER B 196 92.719 74.517 43.844 1.00125.57 H +ATOM 6227 HG SER B 196 93.104 73.892 45.957 1.00133.28 H +ATOM 6228 N CYS B 197 88.937 74.460 45.719 1.00 94.29 N +ATOM 6229 CA CYS B 197 87.926 74.175 46.715 1.00 78.71 C +ATOM 6230 C CYS B 197 87.301 72.818 46.470 1.00 74.37 C +ATOM 6231 O CYS B 197 86.996 72.497 45.323 1.00 73.31 O +ATOM 6232 CB CYS B 197 86.875 75.275 46.637 1.00 85.84 C +ATOM 6233 SG CYS B 197 85.955 75.264 48.182 1.00 86.56 S +ATOM 6234 H CYS B 197 88.702 74.310 44.749 1.00113.15 H +ATOM 6235 HA CYS B 197 88.365 74.168 47.713 1.00 94.45 H +ATOM 6236 HB2 CYS B 197 87.358 76.244 46.519 1.00103.01 H +ATOM 6237 HB3 CYS B 197 86.211 75.117 45.788 1.00103.01 H +ATOM 6238 HG CYS B 197 85.225 74.170 47.956 1.00103.87 H +ATOM 6239 N GLN B 198 87.025 72.065 47.529 1.00 68.72 N +ATOM 6240 CA GLN B 198 86.049 70.986 47.465 1.00 67.10 C +ATOM 6241 C GLN B 198 84.635 71.550 47.536 1.00 52.31 C +ATOM 6242 O GLN B 198 84.359 72.442 48.337 1.00 54.95 O +ATOM 6243 CB GLN B 198 86.316 69.950 48.561 1.00 74.25 C +ATOM 6244 CG GLN B 198 85.270 68.821 48.551 1.00 71.78 C +ATOM 6245 CD GLN B 198 85.658 67.611 49.394 1.00 75.99 C +ATOM 6246 OE1 GLN B 198 86.770 67.468 49.885 1.00 77.70 O +ATOM 6247 NE2 GLN B 198 84.743 66.690 49.598 1.00 72.63 N +ATOM 6248 H GLN B 198 87.289 72.409 48.441 1.00 82.47 H +ATOM 6249 HA GLN B 198 86.148 70.487 46.501 1.00 80.52 H +ATOM 6250 HB2 GLN B 198 87.305 69.531 48.387 1.00 89.09 H +ATOM 6251 HB3 GLN B 198 86.305 70.435 49.536 1.00 89.09 H +ATOM 6252 HG2 GLN B 198 84.322 69.205 48.920 1.00 86.13 H +ATOM 6253 HG3 GLN B 198 85.121 68.477 47.530 1.00 86.13 H +ATOM 6254 HE21 GLN B 198 84.984 65.893 50.166 1.00 87.16 H +ATOM 6255 HE22 GLN B 198 83.802 66.822 49.257 1.00 87.16 H +ATOM 6256 N VAL B 199 83.742 71.004 46.718 1.00 45.49 N +ATOM 6257 CA VAL B 199 82.344 71.403 46.605 1.00 40.71 C +ATOM 6258 C VAL B 199 81.495 70.137 46.536 1.00 38.64 C +ATOM 6259 O VAL B 199 81.379 69.494 45.495 1.00 42.36 O +ATOM 6260 CB VAL B 199 82.153 72.303 45.371 1.00 44.48 C +ATOM 6261 CG1 VAL B 199 80.690 72.734 45.250 1.00 43.47 C +ATOM 6262 CG2 VAL B 199 83.029 73.560 45.433 1.00 49.08 C +ATOM 6263 H VAL B 199 84.063 70.317 46.051 1.00 54.59 H +ATOM 6264 HA VAL B 199 82.052 71.968 47.489 1.00 48.85 H +ATOM 6265 HB VAL B 199 82.427 71.751 44.473 1.00 53.38 H +ATOM 6266 HG11 VAL B 199 80.575 73.437 44.426 1.00 52.17 H +ATOM 6267 HG12 VAL B 199 80.055 71.872 45.050 1.00 52.17 H +ATOM 6268 HG13 VAL B 199 80.371 73.209 46.176 1.00 52.17 H +ATOM 6269 HG21 VAL B 199 82.806 74.213 44.591 1.00 58.90 H +ATOM 6270 HG22 VAL B 199 82.845 74.100 46.360 1.00 58.90 H +ATOM 6271 HG23 VAL B 199 84.082 73.289 45.375 1.00 58.90 H +ATOM 6272 N THR B 200 80.937 69.729 47.668 1.00 32.70 N +ATOM 6273 CA THR B 200 80.236 68.451 47.814 1.00 29.70 C +ATOM 6274 C THR B 200 78.731 68.638 47.858 1.00 30.17 C +ATOM 6275 O THR B 200 78.210 69.506 48.556 1.00 35.91 O +ATOM 6276 CB THR B 200 80.754 67.692 49.039 1.00 35.85 C +ATOM 6277 OG1 THR B 200 81.960 67.064 48.674 1.00 42.60 O +ATOM 6278 CG2 THR B 200 79.846 66.580 49.566 1.00 34.43 C +ATOM 6279 H THR B 200 81.017 70.309 48.489 1.00 39.24 H +ATOM 6280 HA THR B 200 80.448 67.831 46.943 1.00 35.64 H +ATOM 6281 HB THR B 200 80.945 68.392 49.851 1.00 43.02 H +ATOM 6282 HG1 THR B 200 81.722 66.384 48.041 1.00 51.12 H +ATOM 6283 HG21 THR B 200 80.374 66.013 50.329 1.00 41.31 H +ATOM 6284 HG22 THR B 200 78.959 67.013 50.023 1.00 41.31 H +ATOM 6285 HG23 THR B 200 79.545 65.908 48.766 1.00 41.31 H +ATOM 6286 N HIS B 201 78.028 67.772 47.134 1.00 28.77 N +ATOM 6287 CA HIS B 201 76.578 67.623 47.183 1.00 27.20 C +ATOM 6288 C HIS B 201 76.181 66.247 46.652 1.00 32.52 C +ATOM 6289 O HIS B 201 76.981 65.582 45.996 1.00 35.78 O +ATOM 6290 CB HIS B 201 75.941 68.741 46.367 1.00 26.72 C +ATOM 6291 CG HIS B 201 74.445 68.753 46.449 1.00 32.64 C +ATOM 6292 ND1 HIS B 201 73.593 68.747 45.352 1.00 37.28 N +ATOM 6293 CD2 HIS B 201 73.707 68.855 47.589 1.00 33.04 C +ATOM 6294 CE1 HIS B 201 72.355 68.882 45.848 1.00 35.97 C +ATOM 6295 NE2 HIS B 201 72.394 68.958 47.189 1.00 34.27 N +ATOM 6296 H HIS B 201 78.524 67.080 46.593 1.00 34.53 H +ATOM 6297 HA HIS B 201 76.240 67.695 48.216 1.00 32.63 H +ATOM 6298 HB2 HIS B 201 76.304 69.704 46.725 1.00 32.06 H +ATOM 6299 HB3 HIS B 201 76.242 68.644 45.324 1.00 32.06 H +ATOM 6300 HD2 HIS B 201 74.087 68.934 48.596 1.00 39.65 H +ATOM 6301 HE1 HIS B 201 71.470 68.971 45.239 1.00 43.16 H +ATOM 6302 HE2 HIS B 201 71.614 69.180 47.789 1.00 41.12 H +ATOM 6303 N GLU B 202 74.962 65.806 46.929 1.00 32.08 N +ATOM 6304 CA GLU B 202 74.518 64.417 46.759 1.00 35.84 C +ATOM 6305 C GLU B 202 74.703 63.896 45.324 1.00 48.63 C +ATOM 6306 O GLU B 202 74.122 64.433 44.378 1.00 44.60 O +ATOM 6307 CB GLU B 202 73.042 64.309 47.177 1.00 33.43 C +ATOM 6308 CG GLU B 202 72.715 64.970 48.520 1.00 33.45 C +ATOM 6309 CD GLU B 202 73.773 64.681 49.583 1.00 41.79 C +ATOM 6310 OE1 GLU B 202 74.083 63.492 49.813 1.00 41.99 O +ATOM 6311 OE2 GLU B 202 74.306 65.642 50.176 1.00 44.45 O +ATOM 6312 H GLU B 202 74.333 66.439 47.400 1.00 38.49 H +ATOM 6313 HA GLU B 202 75.111 63.781 47.416 1.00 43.01 H +ATOM 6314 HB2 GLU B 202 72.415 64.779 46.420 1.00 40.11 H +ATOM 6315 HB3 GLU B 202 72.774 63.254 47.229 1.00 40.11 H +ATOM 6316 HG2 GLU B 202 72.648 66.047 48.364 1.00 40.14 H +ATOM 6317 HG3 GLU B 202 71.740 64.623 48.859 1.00 40.14 H +ATOM 6318 N GLY B 203 75.522 62.857 45.137 1.00 49.84 N +ATOM 6319 CA GLY B 203 75.846 62.289 43.821 1.00 43.94 C +ATOM 6320 C GLY B 203 76.477 63.285 42.833 1.00 42.61 C +ATOM 6321 O GLY B 203 76.390 63.077 41.623 1.00 44.22 O +ATOM 6322 H GLY B 203 75.966 62.447 45.945 1.00 59.81 H +ATOM 6323 HA2 GLY B 203 76.550 61.470 43.960 1.00 52.73 H +ATOM 6324 HA3 GLY B 203 74.942 61.883 43.368 1.00 52.73 H +ATOM 6325 N SER B 204 77.048 64.390 43.328 1.00 41.41 N +ATOM 6326 CA SER B 204 77.370 65.592 42.538 1.00 39.51 C +ATOM 6327 C SER B 204 78.700 66.271 42.916 1.00 36.25 C +ATOM 6328 O SER B 204 78.957 67.402 42.507 1.00 39.11 O +ATOM 6329 CB SER B 204 76.226 66.608 42.672 1.00 42.20 C +ATOM 6330 OG SER B 204 74.972 66.035 42.359 1.00 42.97 O +ATOM 6331 H SER B 204 77.048 64.494 44.332 1.00 49.69 H +ATOM 6332 HA SER B 204 77.453 65.316 41.487 1.00 47.41 H +ATOM 6333 HB2 SER B 204 76.194 66.980 43.695 1.00 50.64 H +ATOM 6334 HB3 SER B 204 76.405 67.447 42.001 1.00 50.64 H +ATOM 6335 HG SER B 204 74.705 65.497 43.107 1.00 51.57 H +ATOM 6336 N THR B 205 79.547 65.628 43.723 1.00 33.08 N +ATOM 6337 CA THR B 205 80.778 66.243 44.247 1.00 35.30 C +ATOM 6338 C THR B 205 81.752 66.637 43.140 1.00 37.91 C +ATOM 6339 O THR B 205 81.938 65.901 42.174 1.00 45.09 O +ATOM 6340 CB THR B 205 81.460 65.325 45.271 1.00 39.25 C +ATOM 6341 OG1 THR B 205 80.691 65.347 46.455 1.00 40.67 O +ATOM 6342 CG2 THR B 205 82.868 65.749 45.688 1.00 40.87 C +ATOM 6343 H THR B 205 79.329 64.678 43.982 1.00 39.70 H +ATOM 6344 HA THR B 205 80.500 67.162 44.762 1.00 42.36 H +ATOM 6345 HB THR B 205 81.506 64.310 44.880 1.00 47.10 H +ATOM 6346 HG1 THR B 205 80.226 64.523 46.499 1.00 48.81 H +ATOM 6347 HG21 THR B 205 83.204 65.124 46.514 1.00 49.05 H +ATOM 6348 HG22 THR B 205 83.562 65.609 44.860 1.00 49.05 H +ATOM 6349 HG23 THR B 205 82.876 66.794 45.996 1.00 49.05 H +ATOM 6350 N VAL B 206 82.408 67.786 43.304 1.00 40.82 N +ATOM 6351 CA VAL B 206 83.434 68.320 42.400 1.00 45.74 C +ATOM 6352 C VAL B 206 84.503 69.082 43.193 1.00 52.83 C +ATOM 6353 O VAL B 206 84.284 69.457 44.344 1.00 55.15 O +ATOM 6354 CB VAL B 206 82.753 69.170 41.304 1.00 47.33 C +ATOM 6355 CG1 VAL B 206 82.208 70.503 41.823 1.00 51.72 C +ATOM 6356 CG2 VAL B 206 83.672 69.461 40.114 1.00 55.70 C +ATOM 6357 H VAL B 206 82.190 68.350 44.113 1.00 48.98 H +ATOM 6358 HA VAL B 206 83.936 67.485 41.911 1.00 54.88 H +ATOM 6359 HB VAL B 206 81.911 68.599 40.914 1.00 56.80 H +ATOM 6360 HG11 VAL B 206 81.647 70.998 41.031 1.00 62.06 H +ATOM 6361 HG12 VAL B 206 81.535 70.325 42.661 1.00 62.06 H +ATOM 6362 HG13 VAL B 206 83.021 71.154 42.144 1.00 62.06 H +ATOM 6363 HG21 VAL B 206 83.092 69.917 39.313 1.00 66.84 H +ATOM 6364 HG22 VAL B 206 84.478 70.140 40.392 1.00 66.84 H +ATOM 6365 HG23 VAL B 206 84.092 68.529 39.740 1.00 66.84 H +ATOM 6366 N GLU B 207 85.667 69.334 42.597 1.00 59.33 N +ATOM 6367 CA GLU B 207 86.638 70.311 43.107 1.00 66.44 C +ATOM 6368 C GLU B 207 86.979 71.350 42.026 1.00 70.42 C +ATOM 6369 O GLU B 207 87.209 70.993 40.870 1.00 72.43 O +ATOM 6370 CB GLU B 207 87.907 69.639 43.658 1.00 64.78 C +ATOM 6371 CG GLU B 207 87.617 68.532 44.683 1.00 63.55 C +ATOM 6372 CD GLU B 207 88.861 68.088 45.476 1.00 75.25 C +ATOM 6373 OE1 GLU B 207 89.657 68.936 45.945 1.00 80.63 O +ATOM 6374 OE2 GLU B 207 89.034 66.862 45.660 1.00 79.97 O +ATOM 6375 H GLU B 207 85.817 68.980 41.663 1.00 71.19 H +ATOM 6376 HA GLU B 207 86.170 70.848 43.932 1.00 79.73 H +ATOM 6377 HB2 GLU B 207 88.473 69.207 42.834 1.00 77.73 H +ATOM 6378 HB3 GLU B 207 88.513 70.416 44.121 1.00 77.73 H +ATOM 6379 HG2 GLU B 207 86.863 68.881 45.387 1.00 76.26 H +ATOM 6380 HG3 GLU B 207 87.194 67.676 44.158 1.00 76.26 H +ATOM 6381 N LYS B 208 86.992 72.640 42.379 1.00 73.12 N +ATOM 6382 CA LYS B 208 87.014 73.779 41.433 1.00 84.77 C +ATOM 6383 C LYS B 208 87.944 74.896 41.903 1.00 89.07 C +ATOM 6384 O LYS B 208 88.350 74.900 43.060 1.00 91.75 O +ATOM 6385 CB LYS B 208 85.579 74.298 41.228 1.00 81.94 C +ATOM 6386 CG LYS B 208 84.798 73.493 40.176 1.00 80.32 C +ATOM 6387 CD LYS B 208 83.369 74.042 40.022 1.00 73.84 C +ATOM 6388 CE LYS B 208 82.584 73.397 38.868 1.00 64.03 C +ATOM 6389 NZ LYS B 208 82.988 73.915 37.535 1.00 73.31 N +ATOM 6390 H LYS B 208 86.889 72.851 43.361 1.00 87.75 H +ATOM 6391 HA LYS B 208 87.407 73.449 40.471 1.00101.72 H +ATOM 6392 HB2 LYS B 208 85.043 74.283 42.177 1.00 98.32 H +ATOM 6393 HB3 LYS B 208 85.623 75.332 40.890 1.00 98.32 H +ATOM 6394 HG2 LYS B 208 85.325 73.561 39.224 1.00 96.38 H +ATOM 6395 HG3 LYS B 208 84.747 72.449 40.480 1.00 96.38 H +ATOM 6396 HD2 LYS B 208 82.837 73.844 40.952 1.00 88.60 H +ATOM 6397 HD3 LYS B 208 83.398 75.121 39.878 1.00 88.60 H +ATOM 6398 HE2 LYS B 208 82.715 72.319 38.913 1.00 76.84 H +ATOM 6399 HE3 LYS B 208 81.526 73.601 39.020 1.00 76.84 H +ATOM 6400 HZ1 LYS B 208 82.451 73.479 36.802 1.00 87.97 H +ATOM 6401 HZ2 LYS B 208 82.835 74.908 37.459 1.00 87.97 H +ATOM 6402 HZ3 LYS B 208 83.959 73.732 37.340 1.00 87.97 H +ATOM 6403 N THR B 209 88.321 75.828 41.026 1.00 90.29 N +ATOM 6404 CA THR B 209 89.397 76.801 41.305 1.00101.37 C +ATOM 6405 C THR B 209 89.101 78.225 40.849 1.00108.33 C +ATOM 6406 O THR B 209 88.262 78.464 39.984 1.00106.68 O +ATOM 6407 CB THR B 209 90.745 76.379 40.691 1.00106.52 C +ATOM 6408 OG1 THR B 209 90.725 76.539 39.292 1.00114.02 O +ATOM 6409 CG2 THR B 209 91.125 74.929 40.962 1.00105.50 C +ATOM 6410 H THR B 209 87.945 75.799 40.090 1.00108.35 H +ATOM 6411 HA THR B 209 89.533 76.856 42.384 1.00121.65 H +ATOM 6412 HB THR B 209 91.525 77.020 41.098 1.00127.83 H +ATOM 6413 HG1 THR B 209 91.562 76.222 38.950 1.00136.82 H +ATOM 6414 HG21 THR B 209 92.176 74.775 40.725 1.00126.60 H +ATOM 6415 HG22 THR B 209 90.962 74.705 42.015 1.00126.60 H +ATOM 6416 HG23 THR B 209 90.516 74.254 40.364 1.00126.60 H +ATOM 6417 N VAL B 210 89.852 79.171 41.418 1.00114.61 N +ATOM 6418 CA VAL B 210 89.901 80.588 41.021 1.00120.30 C +ATOM 6419 C VAL B 210 91.343 81.089 40.954 1.00131.93 C +ATOM 6420 O VAL B 210 92.182 80.651 41.744 1.00128.23 O +ATOM 6421 CB VAL B 210 89.102 81.490 41.978 1.00115.71 C +ATOM 6422 CG1 VAL B 210 87.603 81.254 41.828 1.00115.50 C +ATOM 6423 CG2 VAL B 210 89.508 81.340 43.447 1.00129.84 C +ATOM 6424 H VAL B 210 90.504 78.878 42.131 1.00137.53 H +ATOM 6425 HA VAL B 210 89.475 80.696 40.023 1.00144.36 H +ATOM 6426 HB VAL B 210 89.297 82.528 41.710 1.00138.85 H +ATOM 6427 HG11 VAL B 210 87.055 81.981 42.421 1.00138.60 H +ATOM 6428 HG12 VAL B 210 87.322 81.365 40.784 1.00138.60 H +ATOM 6429 HG13 VAL B 210 87.343 80.252 42.162 1.00138.60 H +ATOM 6430 HG21 VAL B 210 88.880 81.975 44.069 1.00155.81 H +ATOM 6431 HG22 VAL B 210 89.393 80.307 43.772 1.00155.81 H +ATOM 6432 HG23 VAL B 210 90.543 81.646 43.581 1.00155.81 H +ATOM 6433 N ALA B 211 91.631 82.029 40.054 1.00136.61 N +ATOM 6434 CA ALA B 211 92.885 82.782 40.003 1.00143.37 C +ATOM 6435 C ALA B 211 92.633 84.254 39.610 1.00153.97 C +ATOM 6436 O ALA B 211 91.836 84.502 38.705 1.00154.73 O +ATOM 6437 CB ALA B 211 93.831 82.098 39.015 1.00143.89 C +ATOM 6438 H ALA B 211 90.941 82.238 39.348 1.00163.93 H +ATOM 6439 HA ALA B 211 93.353 82.745 40.987 1.00172.04 H +ATOM 6440 HB1 ALA B 211 94.775 82.638 38.975 1.00172.66 H +ATOM 6441 HB2 ALA B 211 94.021 81.075 39.333 1.00172.66 H +ATOM 6442 HB3 ALA B 211 93.391 82.083 38.019 1.00172.66 H +ATOM 6443 N PRO B 212 93.304 85.251 40.219 1.00157.09 N +ATOM 6444 CA PRO B 212 93.052 86.669 39.919 1.00161.73 C +ATOM 6445 C PRO B 212 93.263 87.055 38.450 1.00161.96 C +ATOM 6446 O PRO B 212 92.567 87.920 37.921 1.00161.54 O +ATOM 6447 CB PRO B 212 94.002 87.451 40.829 1.00157.20 C +ATOM 6448 CG PRO B 212 94.187 86.512 42.018 1.00161.50 C +ATOM 6449 CD PRO B 212 94.189 85.134 41.368 1.00156.57 C +ATOM 6450 HA PRO B 212 92.025 86.906 40.196 1.00194.08 H +ATOM 6451 HB2 PRO B 212 94.963 87.599 40.338 1.00188.64 H +ATOM 6452 HB3 PRO B 212 93.575 88.408 41.127 1.00188.64 H +ATOM 6453 HG2 PRO B 212 95.117 86.706 42.549 1.00193.80 H +ATOM 6454 HG3 PRO B 212 93.334 86.595 42.690 1.00193.80 H +ATOM 6455 HD2 PRO B 212 95.195 84.886 41.032 1.00187.89 H +ATOM 6456 HD3 PRO B 212 93.834 84.402 42.092 1.00187.89 H +ATOM 6457 N THR B 213 94.174 86.365 37.760 1.00165.42 N +ATOM 6458 CA THR B 213 94.470 86.538 36.325 1.00166.98 C +ATOM 6459 C THR B 213 93.271 86.279 35.401 1.00168.41 C +ATOM 6460 O THR B 213 93.253 86.770 34.271 1.00167.19 O +ATOM 6461 CB THR B 213 95.613 85.597 35.915 1.00180.69 C +ATOM 6462 OG1 THR B 213 95.316 84.275 36.307 1.00170.12 O +ATOM 6463 CG2 THR B 213 96.936 85.983 36.572 1.00167.81 C +ATOM 6464 H THR B 213 94.688 85.644 38.245 1.00198.51 H +ATOM 6465 HA THR B 213 94.795 87.563 36.152 1.00200.37 H +ATOM 6466 HB THR B 213 95.739 85.635 34.833 1.00216.83 H +ATOM 6467 HG1 THR B 213 96.013 83.716 35.963 1.00204.15 H +ATOM 6468 HG21 THR B 213 97.732 85.348 36.188 1.00201.37 H +ATOM 6469 HG22 THR B 213 97.173 87.019 36.335 1.00201.37 H +ATOM 6470 HG23 THR B 213 96.878 85.871 37.653 1.00201.37 H +ATOM 6471 N GLU B 214 92.244 85.558 35.865 1.00165.75 N +ATOM 6472 CA GLU B 214 91.006 85.299 35.115 1.00163.84 C +ATOM 6473 C GLU B 214 90.103 86.539 35.005 1.00155.34 C +ATOM 6474 O GLU B 214 89.292 86.629 34.084 1.00158.24 O +ATOM 6475 CB GLU B 214 90.224 84.164 35.797 1.00156.68 C +ATOM 6476 CG GLU B 214 91.010 82.848 35.882 1.00152.69 C +ATOM 6477 CD GLU B 214 90.191 81.750 36.572 1.00140.42 C +ATOM 6478 OE1 GLU B 214 89.938 81.840 37.793 1.00136.61 O +ATOM 6479 OE2 GLU B 214 89.779 80.793 35.876 1.00132.71 O +ATOM 6480 H GLU B 214 92.317 85.158 36.789 1.00198.90 H +ATOM 6481 HA GLU B 214 91.255 84.982 34.103 1.00196.61 H +ATOM 6482 HB2 GLU B 214 89.945 84.484 36.800 1.00188.01 H +ATOM 6483 HB3 GLU B 214 89.309 83.981 35.234 1.00188.01 H +ATOM 6484 HG2 GLU B 214 91.275 82.538 34.872 1.00183.23 H +ATOM 6485 HG3 GLU B 214 91.939 83.002 36.430 1.00183.23 H +ATOM 6486 N CYS B 215 90.239 87.496 35.929 1.00157.77 N +ATOM 6487 CA CYS B 215 89.303 88.614 36.097 1.00155.70 C +ATOM 6488 C CYS B 215 89.968 89.996 36.207 1.00163.55 C +ATOM 6489 O CYS B 215 89.267 90.991 36.398 1.00168.17 O +ATOM 6490 CB CYS B 215 88.446 88.336 37.335 1.00152.82 C +ATOM 6491 SG CYS B 215 87.457 86.832 37.134 1.00144.35 S +ATOM 6492 H CYS B 215 90.934 87.357 36.647 1.00189.32 H +ATOM 6493 HA CYS B 215 88.640 88.670 35.234 1.00186.85 H +ATOM 6494 HB2 CYS B 215 89.088 88.239 38.210 1.00183.39 H +ATOM 6495 HB3 CYS B 215 87.768 89.172 37.503 1.00183.39 H +ATOM 6496 HG CYS B 215 86.870 86.958 38.323 1.00173.22 H +ATOM 6497 N SER B 216 91.300 90.056 36.104 1.00164.77 N +ATOM 6498 CA SER B 216 92.153 91.231 36.343 1.00168.52 C +ATOM 6499 C SER B 216 91.591 92.542 35.796 1.00176.66 C +ATOM 6500 O SER B 216 91.318 92.621 34.578 1.00165.36 O +ATOM 6501 CB SER B 216 93.538 90.946 35.768 1.00171.98 C +ATOM 6502 OG SER B 216 94.414 92.003 36.102 1.00175.85 O +ATOM 6503 OXT SER B 216 91.446 93.479 36.610 1.00180.72 O +ATOM 6504 H SER B 216 91.770 89.175 35.960 1.00197.73 H +ATOM 6505 HA SER B 216 92.260 91.356 37.420 1.00202.22 H +ATOM 6506 HB2 SER B 216 93.918 90.013 36.182 1.00206.38 H +ATOM 6507 HB3 SER B 216 93.467 90.849 34.685 1.00206.38 H +ATOM 6508 HG SER B 216 95.256 91.849 35.681 1.00211.01 H +TER 6509 SER B 216 +ATOM 6510 N LYS C 127 92.485 67.689 121.602 1.00175.19 N +ATOM 6511 CA LYS C 127 93.203 68.295 120.449 1.00171.31 C +ATOM 6512 C LYS C 127 92.240 68.711 119.326 1.00179.45 C +ATOM 6513 O LYS C 127 91.694 69.811 119.399 1.00166.25 O +ATOM 6514 CB LYS C 127 94.387 67.434 119.956 1.00171.88 C +ATOM 6515 CG LYS C 127 95.503 67.305 121.009 1.00175.71 C +ATOM 6516 CD LYS C 127 96.663 66.447 120.487 1.00184.91 C +ATOM 6517 CE LYS C 127 97.740 66.285 121.562 1.00187.27 C +ATOM 6518 NZ LYS C 127 98.777 65.321 121.130 1.00191.87 N +ATOM 6519 H LYS C 127 93.110 67.565 122.382 1.00210.22 H +ATOM 6520 HA LYS C 127 93.634 69.233 120.796 1.00205.57 H +ATOM 6521 HB2 LYS C 127 94.041 66.438 119.688 1.00206.25 H +ATOM 6522 HB3 LYS C 127 94.817 67.898 119.070 1.00206.25 H +ATOM 6523 HG2 LYS C 127 95.878 68.293 121.262 1.00210.85 H +ATOM 6524 HG3 LYS C 127 95.109 66.836 121.907 1.00210.85 H +ATOM 6525 HD2 LYS C 127 96.280 65.466 120.212 1.00221.89 H +ATOM 6526 HD3 LYS C 127 97.099 66.917 119.607 1.00221.89 H +ATOM 6527 HE2 LYS C 127 98.188 67.257 121.761 1.00224.72 H +ATOM 6528 HE3 LYS C 127 97.271 65.936 122.480 1.00224.72 H +ATOM 6529 HZ1 LYS C 127 99.487 65.215 121.836 1.00230.24 H +ATOM 6530 HZ2 LYS C 127 98.380 64.412 120.960 1.00230.24 H +ATOM 6531 HZ3 LYS C 127 99.227 65.626 120.283 1.00230.24 H +ATOM 6532 N ARG C 128 92.005 67.885 118.289 1.00166.20 N +ATOM 6533 CA ARG C 128 91.171 68.204 117.094 1.00162.44 C +ATOM 6534 C ARG C 128 90.303 67.023 116.616 1.00149.34 C +ATOM 6535 O ARG C 128 90.040 66.864 115.425 1.00137.73 O +ATOM 6536 CB ARG C 128 92.056 68.759 115.951 1.00165.75 C +ATOM 6537 CG ARG C 128 92.799 70.071 116.249 1.00171.17 C +ATOM 6538 CD ARG C 128 91.848 71.251 116.473 1.00173.20 C +ATOM 6539 NE ARG C 128 92.591 72.482 116.796 1.00179.92 N +ATOM 6540 CZ ARG C 128 92.676 73.092 117.964 1.00184.44 C +ATOM 6541 NH1 ARG C 128 93.286 74.234 118.047 1.00177.39 N +ATOM 6542 NH2 ARG C 128 92.175 72.605 119.061 1.00188.77 N +ATOM 6543 H ARG C 128 92.519 67.018 118.264 1.00199.44 H +ATOM 6544 HA ARG C 128 90.444 68.971 117.362 1.00194.93 H +ATOM 6545 HB2 ARG C 128 92.795 68.004 115.685 1.00198.90 H +ATOM 6546 HB3 ARG C 128 91.439 68.939 115.072 1.00198.90 H +ATOM 6547 HG2 ARG C 128 93.445 69.946 117.117 1.00205.41 H +ATOM 6548 HG3 ARG C 128 93.437 70.303 115.397 1.00205.41 H +ATOM 6549 HD2 ARG C 128 91.281 71.413 115.557 1.00207.84 H +ATOM 6550 HD3 ARG C 128 91.132 71.020 117.261 1.00207.84 H +ATOM 6551 HE ARG C 128 93.036 72.956 116.025 1.00215.91 H +ATOM 6552 HH11 ARG C 128 93.690 74.650 117.222 1.00212.86 H +ATOM 6553 HH12 ARG C 128 93.349 74.710 118.934 1.00212.86 H +ATOM 6554 HH21 ARG C 128 91.777 71.679 119.056 1.00226.52 H +ATOM 6555 HH22 ARG C 128 92.263 73.118 119.925 1.00226.52 H +ATOM 6556 N LYS C 129 89.855 66.170 117.542 1.00148.31 N +ATOM 6557 CA LYS C 129 89.150 64.905 117.247 1.00139.97 C +ATOM 6558 C LYS C 129 87.748 65.049 116.640 1.00112.78 C +ATOM 6559 O LYS C 129 87.236 64.075 116.099 1.00123.18 O +ATOM 6560 CB LYS C 129 89.123 64.020 118.508 1.00135.12 C +ATOM 6561 CG LYS C 129 88.317 64.629 119.669 1.00137.91 C +ATOM 6562 CD LYS C 129 88.338 63.747 120.925 1.00138.46 C +ATOM 6563 CE LYS C 129 87.626 62.395 120.763 1.00136.59 C +ATOM 6564 NZ LYS C 129 86.142 62.516 120.725 1.00134.87 N +ATOM 6565 H LYS C 129 90.086 66.374 118.503 1.00177.97 H +ATOM 6566 HA LYS C 129 89.731 64.369 116.497 1.00167.97 H +ATOM 6567 HB2 LYS C 129 88.699 63.053 118.241 1.00162.15 H +ATOM 6568 HB3 LYS C 129 90.146 63.849 118.840 1.00162.15 H +ATOM 6569 HG2 LYS C 129 88.743 65.596 119.933 1.00165.50 H +ATOM 6570 HG3 LYS C 129 87.285 64.788 119.358 1.00165.50 H +ATOM 6571 HD2 LYS C 129 89.377 63.555 121.191 1.00166.15 H +ATOM 6572 HD3 LYS C 129 87.888 64.294 121.752 1.00166.15 H +ATOM 6573 HE2 LYS C 129 87.996 61.898 119.867 1.00163.90 H +ATOM 6574 HE3 LYS C 129 87.908 61.775 121.612 1.00163.90 H +ATOM 6575 HZ1 LYS C 129 85.707 61.607 120.746 1.00161.84 H +ATOM 6576 HZ2 LYS C 129 85.804 63.023 121.528 1.00161.84 H +ATOM 6577 HZ3 LYS C 129 85.799 62.983 119.899 1.00161.84 H +ATOM 6578 N ALA C 130 87.116 66.221 116.702 1.00129.11 N +ATOM 6579 CA ALA C 130 85.700 66.383 116.353 1.00121.87 C +ATOM 6580 C ALA C 130 85.361 65.902 114.930 1.00120.61 C +ATOM 6581 O ALA C 130 84.308 65.310 114.710 1.00114.84 O +ATOM 6582 CB ALA C 130 85.329 67.856 116.549 1.00124.34 C +ATOM 6583 H ALA C 130 87.585 66.991 117.155 1.00154.93 H +ATOM 6584 HA ALA C 130 85.103 65.788 117.044 1.00146.25 H +ATOM 6585 HB1 ALA C 130 84.272 67.995 116.336 1.00149.21 H +ATOM 6586 HB2 ALA C 130 85.518 68.153 117.578 1.00149.21 H +ATOM 6587 HB3 ALA C 130 85.911 68.486 115.879 1.00149.21 H +ATOM 6588 N LEU C 131 86.282 66.058 113.974 1.00123.11 N +ATOM 6589 CA LEU C 131 86.111 65.572 112.601 1.00117.37 C +ATOM 6590 C LEU C 131 85.939 64.038 112.514 1.00107.64 C +ATOM 6591 O LEU C 131 85.177 63.542 111.684 1.00109.65 O +ATOM 6592 CB LEU C 131 87.317 66.085 111.794 1.00109.21 C +ATOM 6593 CG LEU C 131 87.319 65.689 110.311 1.00111.18 C +ATOM 6594 CD1 LEU C 131 86.111 66.260 109.584 1.00101.05 C +ATOM 6595 CD2 LEU C 131 88.580 66.224 109.635 1.00102.21 C +ATOM 6596 H LEU C 131 87.126 66.562 114.204 1.00147.73 H +ATOM 6597 HA LEU C 131 85.204 66.023 112.198 1.00140.85 H +ATOM 6598 HB2 LEU C 131 87.346 67.171 111.859 1.00131.06 H +ATOM 6599 HB3 LEU C 131 88.227 65.697 112.250 1.00131.06 H +ATOM 6600 HG LEU C 131 87.312 64.603 110.217 1.00133.42 H +ATOM 6601 HD11 LEU C 131 86.200 66.039 108.522 1.00121.26 H +ATOM 6602 HD12 LEU C 131 85.199 65.806 109.966 1.00121.26 H +ATOM 6603 HD13 LEU C 131 86.071 67.338 109.724 1.00121.26 H +ATOM 6604 HD21 LEU C 131 88.604 65.906 108.593 1.00122.65 H +ATOM 6605 HD22 LEU C 131 88.597 67.312 109.679 1.00122.65 H +ATOM 6606 HD23 LEU C 131 89.463 65.836 110.140 1.00122.65 H +ATOM 6607 N LEU C 132 86.600 63.277 113.395 1.00114.21 N +ATOM 6608 CA LEU C 132 86.394 61.829 113.515 1.00116.35 C +ATOM 6609 C LEU C 132 84.990 61.538 114.032 1.00109.74 C +ATOM 6610 O LEU C 132 84.312 60.655 113.527 1.00101.47 O +ATOM 6611 CB LEU C 132 87.416 61.211 114.482 1.00110.61 C +ATOM 6612 CG LEU C 132 88.876 61.323 114.026 1.00113.30 C +ATOM 6613 CD1 LEU C 132 89.801 61.130 115.222 1.00132.00 C +ATOM 6614 CD2 LEU C 132 89.199 60.254 112.985 1.00115.92 C +ATOM 6615 H LEU C 132 87.147 63.736 114.108 1.00137.05 H +ATOM 6616 HA LEU C 132 86.491 61.361 112.535 1.00139.62 H +ATOM 6617 HB2 LEU C 132 87.306 61.688 115.455 1.00132.74 H +ATOM 6618 HB3 LEU C 132 87.174 60.158 114.624 1.00132.74 H +ATOM 6619 HG LEU C 132 89.068 62.309 113.604 1.00135.96 H +ATOM 6620 HD11 LEU C 132 90.838 61.195 114.898 1.00158.40 H +ATOM 6621 HD12 LEU C 132 89.618 61.911 115.959 1.00158.40 H +ATOM 6622 HD13 LEU C 132 89.625 60.157 115.679 1.00158.40 H +ATOM 6623 HD21 LEU C 132 90.248 60.321 112.702 1.00139.10 H +ATOM 6624 HD22 LEU C 132 89.008 59.263 113.393 1.00139.10 H +ATOM 6625 HD23 LEU C 132 88.584 60.399 112.099 1.00139.10 H +ATOM 6626 N ASP C 133 84.521 62.301 115.009 1.00104.17 N +ATOM 6627 CA ASP C 133 83.172 62.141 115.540 1.00105.30 C +ATOM 6628 C ASP C 133 82.104 62.486 114.490 1.00 97.29 C +ATOM 6629 O ASP C 133 81.093 61.795 114.375 1.00 89.68 O +ATOM 6630 CB ASP C 133 83.040 62.954 116.834 1.00115.46 C +ATOM 6631 CG ASP C 133 84.092 62.577 117.890 1.00119.10 C +ATOM 6632 OD1 ASP C 133 84.455 61.383 118.004 1.00116.47 O +ATOM 6633 OD2 ASP C 133 84.523 63.469 118.654 1.00118.67 O +ATOM 6634 H ASP C 133 85.111 63.034 115.376 1.00125.00 H +ATOM 6635 HA ASP C 133 83.029 61.091 115.793 1.00126.36 H +ATOM 6636 HB2 ASP C 133 83.116 64.016 116.604 1.00138.55 H +ATOM 6637 HB3 ASP C 133 82.049 62.775 117.249 1.00138.55 H +ATOM 6638 N GLU C 134 82.365 63.470 113.633 1.00100.98 N +ATOM 6639 CA GLU C 134 81.549 63.736 112.447 1.00 98.62 C +ATOM 6640 C GLU C 134 81.566 62.553 111.471 1.00 90.49 C +ATOM 6641 O GLU C 134 80.531 62.203 110.908 1.00 84.49 O +ATOM 6642 CB GLU C 134 82.054 64.997 111.739 1.00 97.82 C +ATOM 6643 CG GLU C 134 81.808 66.271 112.554 1.00 98.96 C +ATOM 6644 CD GLU C 134 82.585 67.474 112.005 1.00106.83 C +ATOM 6645 OE1 GLU C 134 82.879 67.521 110.786 1.00108.00 O +ATOM 6646 OE2 GLU C 134 82.857 68.408 112.792 1.00116.45 O +ATOM 6647 H GLU C 134 83.186 64.035 113.795 1.00121.18 H +ATOM 6648 HA GLU C 134 80.515 63.900 112.747 1.00118.34 H +ATOM 6649 HB2 GLU C 134 83.123 64.897 111.552 1.00117.39 H +ATOM 6650 HB3 GLU C 134 81.551 65.091 110.778 1.00117.39 H +ATOM 6651 HG2 GLU C 134 80.740 66.487 112.547 1.00118.75 H +ATOM 6652 HG3 GLU C 134 82.096 66.103 113.591 1.00118.75 H +ATOM 6653 N LEU C 135 82.709 61.884 111.301 1.00 94.08 N +ATOM 6654 CA LEU C 135 82.802 60.667 110.496 1.00 91.94 C +ATOM 6655 C LEU C 135 82.077 59.473 111.139 1.00 88.07 C +ATOM 6656 O LEU C 135 81.443 58.700 110.425 1.00 78.98 O +ATOM 6657 CB LEU C 135 84.277 60.368 110.175 1.00 95.96 C +ATOM 6658 CG LEU C 135 84.483 59.123 109.290 1.00100.53 C +ATOM 6659 CD1 LEU C 135 83.800 59.257 107.926 1.00 94.31 C +ATOM 6660 CD2 LEU C 135 85.970 58.893 109.041 1.00101.47 C +ATOM 6661 H LEU C 135 83.543 62.234 111.750 1.00112.90 H +ATOM 6662 HA LEU C 135 82.298 60.874 109.552 1.00110.33 H +ATOM 6663 HB2 LEU C 135 84.710 61.234 109.675 1.00115.16 H +ATOM 6664 HB3 LEU C 135 84.823 60.212 111.105 1.00115.16 H +ATOM 6665 HG LEU C 135 84.091 58.244 109.800 1.00120.63 H +ATOM 6666 HD11 LEU C 135 84.089 58.426 107.286 1.00113.17 H +ATOM 6667 HD12 LEU C 135 82.720 59.222 108.043 1.00113.17 H +ATOM 6668 HD13 LEU C 135 84.092 60.189 107.450 1.00113.17 H +ATOM 6669 HD21 LEU C 135 86.109 57.963 108.490 1.00121.77 H +ATOM 6670 HD22 LEU C 135 86.382 59.717 108.461 1.00121.77 H +ATOM 6671 HD23 LEU C 135 86.496 58.816 109.991 1.00121.77 H +ATOM 6672 N LYS C 136 82.088 59.327 112.468 1.00 86.91 N +ATOM 6673 CA LYS C 136 81.279 58.318 113.177 1.00 80.64 C +ATOM 6674 C LYS C 136 79.797 58.539 112.896 1.00 88.30 C +ATOM 6675 O LYS C 136 79.090 57.598 112.548 1.00 73.13 O +ATOM 6676 CB LYS C 136 81.543 58.362 114.691 1.00 92.25 C +ATOM 6677 CG LYS C 136 82.969 57.936 115.067 1.00101.00 C +ATOM 6678 CD LYS C 136 83.248 58.223 116.551 1.00110.69 C +ATOM 6679 CE LYS C 136 84.747 58.083 116.854 1.00121.46 C +ATOM 6680 NZ LYS C 136 85.091 58.637 118.187 1.00114.31 N +ATOM 6681 H LYS C 136 82.672 59.954 113.001 1.00104.29 H +ATOM 6682 HA LYS C 136 81.529 57.322 112.810 1.00 96.77 H +ATOM 6683 HB2 LYS C 136 81.355 59.368 115.062 1.00110.71 H +ATOM 6684 HB3 LYS C 136 80.847 57.690 115.191 1.00110.71 H +ATOM 6685 HG2 LYS C 136 83.092 56.871 114.873 1.00121.20 H +ATOM 6686 HG3 LYS C 136 83.691 58.476 114.456 1.00121.20 H +ATOM 6687 HD2 LYS C 136 82.924 59.233 116.799 1.00132.83 H +ATOM 6688 HD3 LYS C 136 82.681 57.524 117.166 1.00132.83 H +ATOM 6689 HE2 LYS C 136 85.016 57.029 116.801 1.00145.75 H +ATOM 6690 HE3 LYS C 136 85.307 58.607 116.082 1.00145.75 H +ATOM 6691 HZ1 LYS C 136 86.073 58.515 118.384 1.00137.17 H +ATOM 6692 HZ2 LYS C 136 84.881 59.623 118.226 1.00137.17 H +ATOM 6693 HZ3 LYS C 136 84.574 58.171 118.917 1.00137.17 H +ATOM 6694 N ALA C 137 79.354 59.794 112.933 1.00 89.68 N +ATOM 6695 CA ALA C 137 78.018 60.169 112.492 1.00 81.77 C +ATOM 6696 C ALA C 137 77.787 59.822 111.003 1.00 70.55 C +ATOM 6697 O ALA C 137 76.889 59.030 110.733 1.00 72.46 O +ATOM 6698 CB ALA C 137 77.768 61.638 112.840 1.00 84.65 C +ATOM 6699 H ALA C 137 79.981 60.518 113.251 1.00107.61 H +ATOM 6700 HA ALA C 137 77.299 59.580 113.060 1.00 98.12 H +ATOM 6701 HB1 ALA C 137 76.799 61.946 112.451 1.00101.58 H +ATOM 6702 HB2 ALA C 137 77.770 61.761 113.921 1.00101.58 H +ATOM 6703 HB3 ALA C 137 78.543 62.276 112.419 1.00101.58 H +ATOM 6704 N LEU C 138 78.644 60.255 110.064 1.00 76.45 N +ATOM 6705 CA LEU C 138 78.495 59.910 108.639 1.00 71.71 C +ATOM 6706 C LEU C 138 78.403 58.399 108.425 1.00 76.07 C +ATOM 6707 O LEU C 138 77.617 57.920 107.616 1.00 67.72 O +ATOM 6708 CB LEU C 138 79.680 60.441 107.812 1.00 80.83 C +ATOM 6709 CG LEU C 138 79.745 61.957 107.582 1.00 79.38 C +ATOM 6710 CD1 LEU C 138 81.007 62.314 106.801 1.00 77.19 C +ATOM 6711 CD2 LEU C 138 78.570 62.487 106.764 1.00 74.06 C +ATOM 6712 H LEU C 138 79.370 60.899 110.340 1.00 91.74 H +ATOM 6713 HA LEU C 138 77.567 60.332 108.256 1.00 86.05 H +ATOM 6714 HB2 LEU C 138 80.603 60.120 108.294 1.00 96.99 H +ATOM 6715 HB3 LEU C 138 79.645 59.965 106.833 1.00 96.99 H +ATOM 6716 HG LEU C 138 79.797 62.473 108.540 1.00 95.25 H +ATOM 6717 HD11 LEU C 138 81.003 63.384 106.603 1.00 92.63 H +ATOM 6718 HD12 LEU C 138 81.891 62.060 107.383 1.00 92.63 H +ATOM 6719 HD13 LEU C 138 81.028 61.783 105.851 1.00 92.63 H +ATOM 6720 HD21 LEU C 138 78.661 63.565 106.642 1.00 88.87 H +ATOM 6721 HD22 LEU C 138 78.566 62.016 105.782 1.00 88.87 H +ATOM 6722 HD23 LEU C 138 77.631 62.284 107.277 1.00 88.87 H +ATOM 6723 N THR C 139 79.191 57.635 109.171 1.00 72.34 N +ATOM 6724 CA THR C 139 79.200 56.176 109.103 1.00 73.06 C +ATOM 6725 C THR C 139 77.867 55.609 109.574 1.00 67.30 C +ATOM 6726 O THR C 139 77.265 54.812 108.867 1.00 62.59 O +ATOM 6727 CB THR C 139 80.356 55.605 109.933 1.00 86.39 C +ATOM 6728 OG1 THR C 139 81.575 56.120 109.457 1.00 83.95 O +ATOM 6729 CG2 THR C 139 80.451 54.084 109.869 1.00 86.10 C +ATOM 6730 H THR C 139 79.809 58.097 109.821 1.00 86.81 H +ATOM 6731 HA THR C 139 79.338 55.871 108.066 1.00 87.67 H +ATOM 6732 HB THR C 139 80.236 55.902 110.974 1.00103.66 H +ATOM 6733 HG1 THR C 139 81.604 57.046 109.704 1.00100.74 H +ATOM 6734 HG21 THR C 139 81.354 53.750 110.376 1.00103.32 H +ATOM 6735 HG22 THR C 139 79.593 53.633 110.363 1.00103.32 H +ATOM 6736 HG23 THR C 139 80.481 53.755 108.833 1.00103.32 H +ATOM 6737 N ALA C 140 77.362 56.046 110.726 1.00 62.89 N +ATOM 6738 CA ALA C 140 76.056 55.630 111.217 1.00 68.37 C +ATOM 6739 C ALA C 140 74.926 56.044 110.262 1.00 57.85 C +ATOM 6740 O ALA C 140 74.046 55.246 109.949 1.00 57.44 O +ATOM 6741 CB ALA C 140 75.876 56.225 112.612 1.00 78.02 C +ATOM 6742 H ALA C 140 77.877 56.727 111.264 1.00 75.47 H +ATOM 6743 HA ALA C 140 76.042 54.543 111.301 1.00 82.04 H +ATOM 6744 HB1 ALA C 140 74.918 55.910 113.020 1.00 93.62 H +ATOM 6745 HB2 ALA C 140 76.674 55.868 113.259 1.00 93.62 H +ATOM 6746 HB3 ALA C 140 75.904 57.312 112.570 1.00 93.62 H +ATOM 6747 N GLU C 141 74.993 57.260 109.732 1.00 61.26 N +ATOM 6748 CA GLU C 141 74.068 57.762 108.727 1.00 62.04 C +ATOM 6749 C GLU C 141 74.061 56.806 107.526 1.00 52.50 C +ATOM 6750 O GLU C 141 73.044 56.191 107.206 1.00 55.29 O +ATOM 6751 CB GLU C 141 74.458 59.216 108.368 1.00 69.40 C +ATOM 6752 CG GLU C 141 74.113 60.201 109.504 1.00 75.41 C +ATOM 6753 CD GLU C 141 74.756 61.603 109.386 1.00 69.26 C +ATOM 6754 OE1 GLU C 141 75.998 61.721 109.440 1.00 68.76 O +ATOM 6755 OE2 GLU C 141 74.010 62.605 109.295 1.00 66.33 O +ATOM 6756 H GLU C 141 75.741 57.868 110.030 1.00 73.51 H +ATOM 6757 HA GLU C 141 73.057 57.764 109.134 1.00 74.44 H +ATOM 6758 HB2 GLU C 141 75.525 59.264 108.156 1.00 83.27 H +ATOM 6759 HB3 GLU C 141 73.922 59.522 107.471 1.00 83.27 H +ATOM 6760 HG2 GLU C 141 73.028 60.295 109.536 1.00 90.50 H +ATOM 6761 HG3 GLU C 141 74.415 59.770 110.457 1.00 90.50 H +ATOM 6762 N LEU C 142 75.226 56.554 106.931 1.00 57.12 N +ATOM 6763 CA LEU C 142 75.375 55.616 105.825 1.00 54.44 C +ATOM 6764 C LEU C 142 74.976 54.191 106.181 1.00 54.10 C +ATOM 6765 O LEU C 142 74.426 53.511 105.324 1.00 50.85 O +ATOM 6766 CB LEU C 142 76.817 55.653 105.319 1.00 61.82 C +ATOM 6767 CG LEU C 142 77.099 56.898 104.466 1.00 67.48 C +ATOM 6768 CD1 LEU C 142 78.601 57.040 104.246 1.00 72.20 C +ATOM 6769 CD2 LEU C 142 76.412 56.789 103.103 1.00 61.65 C +ATOM 6770 H LEU C 142 76.048 57.032 107.270 1.00 68.54 H +ATOM 6771 HA LEU C 142 74.708 55.912 105.017 1.00 65.33 H +ATOM 6772 HB2 LEU C 142 77.495 55.626 106.172 1.00 74.19 H +ATOM 6773 HB3 LEU C 142 77.015 54.768 104.715 1.00 74.19 H +ATOM 6774 HG LEU C 142 76.746 57.793 104.978 1.00 80.97 H +ATOM 6775 HD11 LEU C 142 78.800 57.905 103.618 1.00 86.64 H +ATOM 6776 HD12 LEU C 142 79.096 57.181 105.203 1.00 86.64 H +ATOM 6777 HD13 LEU C 142 78.998 56.151 103.762 1.00 86.64 H +ATOM 6778 HD21 LEU C 142 76.746 57.592 102.448 1.00 73.98 H +ATOM 6779 HD22 LEU C 142 76.671 55.843 102.632 1.00 73.98 H +ATOM 6780 HD23 LEU C 142 75.331 56.855 103.204 1.00 73.98 H +ATOM 6781 N LYS C 143 75.187 53.725 107.411 1.00 56.94 N +ATOM 6782 CA LYS C 143 74.730 52.401 107.844 1.00 54.99 C +ATOM 6783 C LYS C 143 73.219 52.315 107.752 1.00 50.69 C +ATOM 6784 O LYS C 143 72.714 51.376 107.147 1.00 50.34 O +ATOM 6785 CB LYS C 143 75.220 52.097 109.266 1.00 65.71 C +ATOM 6786 CG LYS C 143 74.798 50.687 109.718 1.00 73.55 C +ATOM 6787 CD LYS C 143 75.139 50.453 111.192 1.00 78.49 C +ATOM 6788 CE LYS C 143 74.611 49.091 111.656 1.00 75.57 C +ATOM 6789 NZ LYS C 143 74.654 48.992 113.133 1.00 69.74 N +ATOM 6790 H LYS C 143 75.691 54.309 108.061 1.00 68.33 H +ATOM 6791 HA LYS C 143 75.139 51.647 107.173 1.00 65.98 H +ATOM 6792 HB2 LYS C 143 76.306 52.169 109.299 1.00 78.85 H +ATOM 6793 HB3 LYS C 143 74.806 52.828 109.958 1.00 78.85 H +ATOM 6794 HG2 LYS C 143 73.722 50.567 109.601 1.00 88.26 H +ATOM 6795 HG3 LYS C 143 75.299 49.942 109.103 1.00 88.26 H +ATOM 6796 HD2 LYS C 143 76.217 50.494 111.328 1.00 94.18 H +ATOM 6797 HD3 LYS C 143 74.678 51.243 111.781 1.00 94.18 H +ATOM 6798 HE2 LYS C 143 73.586 48.974 111.308 1.00 90.69 H +ATOM 6799 HE3 LYS C 143 75.212 48.308 111.197 1.00 90.69 H +ATOM 6800 HZ1 LYS C 143 74.342 48.086 113.447 1.00 83.69 H +ATOM 6801 HZ2 LYS C 143 75.592 49.137 113.473 1.00 83.69 H +ATOM 6802 HZ3 LYS C 143 74.064 49.702 113.540 1.00 83.69 H +ATOM 6803 N VAL C 144 72.505 53.307 108.274 1.00 50.41 N +ATOM 6804 CA VAL C 144 71.041 53.344 108.208 1.00 53.66 C +ATOM 6805 C VAL C 144 70.572 53.337 106.754 1.00 59.00 C +ATOM 6806 O VAL C 144 69.780 52.474 106.372 1.00 49.85 O +ATOM 6807 CB VAL C 144 70.493 54.537 109.007 1.00 54.22 C +ATOM 6808 CG1 VAL C 144 68.991 54.740 108.800 1.00 55.04 C +ATOM 6809 CG2 VAL C 144 70.725 54.295 110.502 1.00 60.26 C +ATOM 6810 H VAL C 144 72.994 54.069 108.720 1.00 60.50 H +ATOM 6811 HA VAL C 144 70.649 52.433 108.660 1.00 64.39 H +ATOM 6812 HB VAL C 144 71.009 55.451 108.711 1.00 65.06 H +ATOM 6813 HG11 VAL C 144 68.619 55.497 109.489 1.00 66.05 H +ATOM 6814 HG12 VAL C 144 68.791 55.083 107.786 1.00 66.05 H +ATOM 6815 HG13 VAL C 144 68.459 53.806 108.977 1.00 66.05 H +ATOM 6816 HG21 VAL C 144 70.380 55.157 111.072 1.00 72.32 H +ATOM 6817 HG22 VAL C 144 70.178 53.411 110.829 1.00 72.32 H +ATOM 6818 HG23 VAL C 144 71.785 54.155 110.710 1.00 72.32 H +ATOM 6819 N TYR C 145 71.139 54.191 105.898 1.00 48.53 N +ATOM 6820 CA TYR C 145 70.828 54.147 104.469 1.00 45.43 C +ATOM 6821 C TYR C 145 71.145 52.776 103.868 1.00 46.01 C +ATOM 6822 O TYR C 145 70.350 52.244 103.105 1.00 48.60 O +ATOM 6823 CB TYR C 145 71.576 55.254 103.720 1.00 40.92 C +ATOM 6824 CG TYR C 145 71.124 56.653 104.077 1.00 40.16 C +ATOM 6825 CD1 TYR C 145 69.822 57.068 103.753 1.00 43.19 C +ATOM 6826 CD2 TYR C 145 71.991 57.540 104.733 1.00 40.16 C +ATOM 6827 CE1 TYR C 145 69.389 58.364 104.086 1.00 38.49 C +ATOM 6828 CE2 TYR C 145 71.546 58.818 105.115 1.00 41.12 C +ATOM 6829 CZ TYR C 145 70.248 59.240 104.774 1.00 39.79 C +ATOM 6830 OH TYR C 145 69.829 60.487 105.107 1.00 45.49 O +ATOM 6831 H TYR C 145 71.778 54.889 106.249 1.00 58.24 H +ATOM 6832 HA TYR C 145 69.758 54.308 104.340 1.00 54.51 H +ATOM 6833 HB2 TYR C 145 72.645 55.153 103.904 1.00 49.11 H +ATOM 6834 HB3 TYR C 145 71.415 55.118 102.651 1.00 49.11 H +ATOM 6835 HD1 TYR C 145 69.150 56.393 103.244 1.00 51.82 H +ATOM 6836 HD2 TYR C 145 73.002 57.240 104.960 1.00 48.19 H +ATOM 6837 HE1 TYR C 145 68.395 58.692 103.822 1.00 46.19 H +ATOM 6838 HE2 TYR C 145 72.197 59.475 105.672 1.00 49.34 H +ATOM 6839 HH TYR C 145 70.557 61.029 105.403 1.00 54.59 H +ATOM 6840 N SER C 146 72.261 52.158 104.241 1.00 45.22 N +ATOM 6841 CA SER C 146 72.683 50.865 103.700 1.00 44.80 C +ATOM 6842 C SER C 146 71.732 49.745 104.097 1.00 44.72 C +ATOM 6843 O SER C 146 71.389 48.916 103.260 1.00 47.74 O +ATOM 6844 CB SER C 146 74.100 50.513 104.148 1.00 41.71 C +ATOM 6845 OG SER C 146 75.005 51.508 103.717 1.00 45.13 O +ATOM 6846 H SER C 146 72.868 52.630 104.896 1.00 54.26 H +ATOM 6847 HA SER C 146 72.681 50.924 102.612 1.00 53.77 H +ATOM 6848 HB2 SER C 146 74.141 50.427 105.233 1.00 50.05 H +ATOM 6849 HB3 SER C 146 74.383 49.558 103.709 1.00 50.05 H +ATOM 6850 HG SER C 146 74.848 52.290 104.249 1.00 54.16 H +ATOM 6851 N VAL C 147 71.238 49.729 105.335 1.00 51.15 N +ATOM 6852 CA VAL C 147 70.208 48.771 105.773 1.00 50.98 C +ATOM 6853 C VAL C 147 68.910 48.981 104.989 1.00 46.92 C +ATOM 6854 O VAL C 147 68.328 48.031 104.469 1.00 48.77 O +ATOM 6855 CB VAL C 147 69.976 48.861 107.296 1.00 56.98 C +ATOM 6856 CG1 VAL C 147 68.774 48.017 107.736 1.00 55.74 C +ATOM 6857 CG2 VAL C 147 71.217 48.356 108.043 1.00 58.53 C +ATOM 6858 H VAL C 147 71.562 50.424 105.991 1.00 61.38 H +ATOM 6859 HA VAL C 147 70.550 47.761 105.551 1.00 61.17 H +ATOM 6860 HB VAL C 147 69.794 49.898 107.577 1.00 68.37 H +ATOM 6861 HG11 VAL C 147 68.734 47.938 108.822 1.00 66.88 H +ATOM 6862 HG12 VAL C 147 67.846 48.476 107.398 1.00 66.88 H +ATOM 6863 HG13 VAL C 147 68.853 47.014 107.320 1.00 66.88 H +ATOM 6864 HG21 VAL C 147 71.071 48.451 109.117 1.00 70.24 H +ATOM 6865 HG22 VAL C 147 71.400 47.312 107.801 1.00 70.24 H +ATOM 6866 HG23 VAL C 147 72.093 48.940 107.769 1.00 70.24 H +ATOM 6867 N ILE C 148 68.503 50.231 104.800 1.00 42.93 N +ATOM 6868 CA ILE C 148 67.313 50.547 104.016 1.00 49.38 C +ATOM 6869 C ILE C 148 67.491 50.072 102.565 1.00 57.08 C +ATOM 6870 O ILE C 148 66.668 49.323 102.045 1.00 54.94 O +ATOM 6871 CB ILE C 148 67.001 52.046 104.162 1.00 53.66 C +ATOM 6872 CG1 ILE C 148 66.576 52.357 105.615 1.00 58.09 C +ATOM 6873 CG2 ILE C 148 65.907 52.494 103.180 1.00 54.09 C +ATOM 6874 CD1 ILE C 148 66.622 53.851 105.943 1.00 58.03 C +ATOM 6875 H ILE C 148 69.015 50.983 105.237 1.00 51.52 H +ATOM 6876 HA ILE C 148 66.470 49.989 104.424 1.00 59.25 H +ATOM 6877 HB ILE C 148 67.907 52.609 103.938 1.00 64.39 H +ATOM 6878 HG12 ILE C 148 65.568 51.982 105.791 1.00 69.71 H +ATOM 6879 HG13 ILE C 148 67.238 51.854 106.318 1.00 69.71 H +ATOM 6880 HG21 ILE C 148 65.661 53.544 103.329 1.00 64.91 H +ATOM 6881 HG22 ILE C 148 66.258 52.386 102.156 1.00 64.91 H +ATOM 6882 HG23 ILE C 148 65.009 51.896 103.317 1.00 64.91 H +ATOM 6883 HD11 ILE C 148 66.451 53.989 107.008 1.00 69.64 H +ATOM 6884 HD12 ILE C 148 67.597 54.259 105.686 1.00 69.64 H +ATOM 6885 HD13 ILE C 148 65.847 54.389 105.402 1.00 69.64 H +ATOM 6886 N GLN C 149 68.619 50.379 101.928 1.00 51.00 N +ATOM 6887 CA GLN C 149 68.933 49.881 100.585 1.00 50.11 C +ATOM 6888 C GLN C 149 68.982 48.353 100.526 1.00 52.09 C +ATOM 6889 O GLN C 149 68.555 47.756 99.541 1.00 50.72 O +ATOM 6890 CB GLN C 149 70.247 50.476 100.076 1.00 43.78 C +ATOM 6891 CG GLN C 149 70.068 51.956 99.719 1.00 43.91 C +ATOM 6892 CD GLN C 149 71.323 52.553 99.101 1.00 43.99 C +ATOM 6893 OE1 GLN C 149 72.011 51.936 98.305 1.00 42.22 O +ATOM 6894 NE2 GLN C 149 71.662 53.779 99.429 1.00 44.37 N +ATOM 6895 H GLN C 149 69.284 50.979 102.394 1.00 61.20 H +ATOM 6896 HA GLN C 149 68.147 50.209 99.905 1.00 60.13 H +ATOM 6897 HB2 GLN C 149 71.028 50.363 100.827 1.00 52.54 H +ATOM 6898 HB3 GLN C 149 70.544 49.932 99.180 1.00 52.54 H +ATOM 6899 HG2 GLN C 149 69.259 52.062 98.998 1.00 52.70 H +ATOM 6900 HG3 GLN C 149 69.796 52.518 100.611 1.00 52.70 H +ATOM 6901 HE21 GLN C 149 72.509 54.155 99.031 1.00 53.25 H +ATOM 6902 HE22 GLN C 149 71.130 54.299 100.111 1.00 53.25 H +ATOM 6903 N SER C 150 69.423 47.700 101.597 1.00 56.04 N +ATOM 6904 CA SER C 150 69.429 46.242 101.682 1.00 50.95 C +ATOM 6905 C SER C 150 68.013 45.661 101.669 1.00 50.49 C +ATOM 6906 O SER C 150 67.803 44.636 101.029 1.00 53.85 O +ATOM 6907 CB SER C 150 70.203 45.775 102.917 1.00 50.88 C +ATOM 6908 OG SER C 150 71.521 46.292 102.897 1.00 50.29 O +ATOM 6909 H SER C 150 69.759 48.238 102.381 1.00 67.24 H +ATOM 6910 HA SER C 150 69.945 45.849 100.807 1.00 61.13 H +ATOM 6911 HB2 SER C 150 69.697 46.096 103.826 1.00 61.05 H +ATOM 6912 HB3 SER C 150 70.251 44.687 102.914 1.00 61.05 H +ATOM 6913 HG SER C 150 71.474 47.243 103.002 1.00 60.35 H +ATOM 6914 N GLN C 151 67.014 46.328 102.261 1.00 47.99 N +ATOM 6915 CA GLN C 151 65.612 45.955 102.026 1.00 51.69 C +ATOM 6916 C GLN C 151 65.178 46.258 100.593 1.00 58.29 C +ATOM 6917 O GLN C 151 64.568 45.415 99.940 1.00 53.17 O +ATOM 6918 CB GLN C 151 64.659 46.670 102.990 1.00 57.14 C +ATOM 6919 CG GLN C 151 64.742 46.114 104.417 1.00 58.46 C +ATOM 6920 CD GLN C 151 63.511 46.434 105.263 1.00 52.81 C +ATOM 6921 OE1 GLN C 151 62.453 46.826 104.790 1.00 48.70 O +ATOM 6922 NE2 GLN C 151 63.592 46.267 106.560 1.00 57.45 N +ATOM 6923 H GLN C 151 67.222 47.163 102.787 1.00 57.58 H +ATOM 6924 HA GLN C 151 65.497 44.881 102.169 1.00 62.02 H +ATOM 6925 HB2 GLN C 151 64.847 47.742 103.001 1.00 68.57 H +ATOM 6926 HB3 GLN C 151 63.649 46.510 102.614 1.00 68.57 H +ATOM 6927 HG2 GLN C 151 64.837 45.030 104.373 1.00 70.15 H +ATOM 6928 HG3 GLN C 151 65.631 46.513 104.902 1.00 70.15 H +ATOM 6929 HE21 GLN C 151 62.777 46.474 107.117 1.00 68.95 H +ATOM 6930 HE22 GLN C 151 64.447 45.933 106.979 1.00 68.95 H +ATOM 6931 N ILE C 152 65.512 47.444 100.089 1.00 48.44 N +ATOM 6932 CA ILE C 152 65.103 47.907 98.761 1.00 53.18 C +ATOM 6933 C ILE C 152 65.528 46.916 97.676 1.00 55.74 C +ATOM 6934 O ILE C 152 64.694 46.436 96.912 1.00 54.06 O +ATOM 6935 CB ILE C 152 65.671 49.319 98.521 1.00 53.20 C +ATOM 6936 CG1 ILE C 152 64.922 50.340 99.400 1.00 55.92 C +ATOM 6937 CG2 ILE C 152 65.626 49.748 97.052 1.00 57.01 C +ATOM 6938 CD1 ILE C 152 65.526 51.750 99.408 1.00 54.43 C +ATOM 6939 H ILE C 152 65.995 48.089 100.698 1.00 58.13 H +ATOM 6940 HA ILE C 152 64.016 47.963 98.725 1.00 63.82 H +ATOM 6941 HB ILE C 152 66.724 49.309 98.802 1.00 63.84 H +ATOM 6942 HG12 ILE C 152 63.890 50.407 99.057 1.00 67.10 H +ATOM 6943 HG13 ILE C 152 64.888 49.987 100.430 1.00 67.10 H +ATOM 6944 HG21 ILE C 152 66.099 50.724 96.952 1.00 68.41 H +ATOM 6945 HG22 ILE C 152 66.197 49.065 96.424 1.00 68.41 H +ATOM 6946 HG23 ILE C 152 64.596 49.797 96.701 1.00 68.41 H +ATOM 6947 HD11 ILE C 152 64.995 52.361 100.135 1.00 65.32 H +ATOM 6948 HD12 ILE C 152 66.578 51.713 99.682 1.00 65.32 H +ATOM 6949 HD13 ILE C 152 65.418 52.224 98.435 1.00 65.32 H +ATOM 6950 N ASN C 153 66.809 46.563 97.619 1.00 51.79 N +ATOM 6951 CA ASN C 153 67.328 45.684 96.577 1.00 49.50 C +ATOM 6952 C ASN C 153 66.695 44.298 96.626 1.00 49.03 C +ATOM 6953 O ASN C 153 66.375 43.726 95.585 1.00 55.88 O +ATOM 6954 CB ASN C 153 68.848 45.594 96.723 1.00 51.94 C +ATOM 6955 CG ASN C 153 69.540 46.879 96.323 1.00 63.58 C +ATOM 6956 OD1 ASN C 153 69.077 47.616 95.468 1.00 63.29 O +ATOM 6957 ND2 ASN C 153 70.672 47.179 96.913 1.00 69.11 N +ATOM 6958 H ASN C 153 67.452 46.975 98.278 1.00 62.14 H +ATOM 6959 HA ASN C 153 67.086 46.101 95.600 1.00 59.41 H +ATOM 6960 HB2 ASN C 153 69.107 45.340 97.749 1.00 62.32 H +ATOM 6961 HB3 ASN C 153 69.227 44.807 96.073 1.00 62.32 H +ATOM 6962 HD21 ASN C 153 71.155 48.018 96.631 1.00 82.93 H +ATOM 6963 HD22 ASN C 153 71.068 46.559 97.602 1.00 82.93 H +ATOM 6964 N ALA C 154 66.452 43.774 97.823 1.00 51.13 N +ATOM 6965 CA ALA C 154 65.738 42.519 97.982 1.00 56.88 C +ATOM 6966 C ALA C 154 64.289 42.648 97.482 1.00 55.40 C +ATOM 6967 O ALA C 154 63.854 41.837 96.669 1.00 57.27 O +ATOM 6968 CB ALA C 154 65.826 42.081 99.446 1.00 62.37 C +ATOM 6969 H ALA C 154 66.722 44.287 98.650 1.00 61.35 H +ATOM 6970 HA ALA C 154 66.228 41.757 97.376 1.00 68.26 H +ATOM 6971 HB1 ALA C 154 65.313 41.131 99.574 1.00 74.85 H +ATOM 6972 HB2 ALA C 154 66.867 41.955 99.731 1.00 74.85 H +ATOM 6973 HB3 ALA C 154 65.364 42.823 100.093 1.00 74.85 H +ATOM 6974 N ALA C 155 63.567 43.699 97.875 1.00 52.06 N +ATOM 6975 CA ALA C 155 62.185 43.927 97.462 1.00 55.26 C +ATOM 6976 C ALA C 155 62.055 43.990 95.939 1.00 57.21 C +ATOM 6977 O ALA C 155 61.273 43.244 95.355 1.00 59.38 O +ATOM 6978 CB ALA C 155 61.684 45.214 98.119 1.00 58.63 C +ATOM 6979 H ALA C 155 63.981 44.358 98.518 1.00 62.47 H +ATOM 6980 HA ALA C 155 61.572 43.098 97.815 1.00 66.31 H +ATOM 6981 HB1 ALA C 155 60.646 45.384 97.838 1.00 70.36 H +ATOM 6982 HB2 ALA C 155 61.748 45.125 99.201 1.00 70.36 H +ATOM 6983 HB3 ALA C 155 62.280 46.066 97.797 1.00 70.36 H +ATOM 6984 N LEU C 156 62.898 44.794 95.288 1.00 55.90 N +ATOM 6985 CA LEU C 156 62.986 44.878 93.829 1.00 65.48 C +ATOM 6986 C LEU C 156 63.260 43.509 93.195 1.00 61.19 C +ATOM 6987 O LEU C 156 62.567 43.106 92.266 1.00 58.24 O +ATOM 6988 CB LEU C 156 64.127 45.837 93.457 1.00 63.77 C +ATOM 6989 CG LEU C 156 63.833 47.324 93.690 1.00 64.32 C +ATOM 6990 CD1 LEU C 156 65.133 48.120 93.618 1.00 60.00 C +ATOM 6991 CD2 LEU C 156 62.901 47.858 92.610 1.00 59.33 C +ATOM 6992 H LEU C 156 63.516 45.368 95.843 1.00 67.08 H +ATOM 6993 HA LEU C 156 62.043 45.246 93.428 1.00 78.58 H +ATOM 6994 HB2 LEU C 156 65.008 45.557 94.034 1.00 76.53 H +ATOM 6995 HB3 LEU C 156 64.377 45.698 92.406 1.00 76.53 H +ATOM 6996 HG LEU C 156 63.384 47.475 94.671 1.00 77.18 H +ATOM 6997 HD11 LEU C 156 64.929 49.173 93.806 1.00 72.00 H +ATOM 6998 HD12 LEU C 156 65.829 47.761 94.374 1.00 72.00 H +ATOM 6999 HD13 LEU C 156 65.587 48.013 92.635 1.00 72.00 H +ATOM 7000 HD21 LEU C 156 62.857 48.945 92.671 1.00 71.19 H +ATOM 7001 HD22 LEU C 156 63.269 47.585 91.622 1.00 71.19 H +ATOM 7002 HD23 LEU C 156 61.901 47.450 92.757 1.00 71.19 H +ATOM 7003 N SER C 157 64.240 42.769 93.714 1.00 59.42 N +ATOM 7004 CA SER C 157 64.605 41.444 93.194 1.00 55.00 C +ATOM 7005 C SER C 157 63.472 40.429 93.366 1.00 52.09 C +ATOM 7006 O SER C 157 63.300 39.538 92.538 1.00 54.02 O +ATOM 7007 CB SER C 157 65.874 40.928 93.878 1.00 57.49 C +ATOM 7008 OG SER C 157 66.940 41.849 93.730 1.00 56.01 O +ATOM 7009 H SER C 157 64.767 43.147 94.488 1.00 71.30 H +ATOM 7010 HA SER C 157 64.811 41.529 92.128 1.00 66.00 H +ATOM 7011 HB2 SER C 157 65.683 40.768 94.938 1.00 68.98 H +ATOM 7012 HB3 SER C 157 66.158 39.979 93.427 1.00 68.98 H +ATOM 7013 HG SER C 157 66.799 42.558 94.357 1.00 67.21 H +ATOM 7014 N ALA C 158 62.658 40.597 94.406 1.00 57.20 N +ATOM 7015 CA ALA C 158 61.437 39.844 94.666 1.00 61.78 C +ATOM 7016 C ALA C 158 60.186 40.420 93.967 1.00 59.10 C +ATOM 7017 O ALA C 158 59.078 39.927 94.189 1.00 64.41 O +ATOM 7018 CB ALA C 158 61.273 39.768 96.189 1.00 65.81 C +ATOM 7019 H ALA C 158 62.898 41.311 95.077 1.00 68.64 H +ATOM 7020 HA ALA C 158 61.565 38.828 94.295 1.00 74.13 H +ATOM 7021 HB1 ALA C 158 60.401 39.165 96.441 1.00 78.97 H +ATOM 7022 HB2 ALA C 158 62.154 39.305 96.633 1.00 78.97 H +ATOM 7023 HB3 ALA C 158 61.156 40.769 96.605 1.00 78.97 H +ATOM 7024 N LYS C 159 60.329 41.467 93.144 1.00 56.23 N +ATOM 7025 CA LYS C 159 59.239 42.181 92.453 1.00 62.66 C +ATOM 7026 C LYS C 159 58.156 42.749 93.388 1.00 63.25 C +ATOM 7027 O LYS C 159 56.991 42.878 93.016 1.00 64.26 O +ATOM 7028 CB LYS C 159 58.656 41.325 91.318 1.00 64.30 C +ATOM 7029 CG LYS C 159 59.719 40.870 90.314 1.00 68.99 C +ATOM 7030 CD LYS C 159 59.056 40.169 89.126 1.00 78.58 C +ATOM 7031 CE LYS C 159 60.115 39.693 88.131 1.00 84.60 C +ATOM 7032 NZ LYS C 159 59.491 39.055 86.948 1.00 82.21 N +ATOM 7033 H LYS C 159 61.260 41.836 93.020 1.00 67.47 H +ATOM 7034 HA LYS C 159 59.687 43.059 91.989 1.00 75.20 H +ATOM 7035 HB2 LYS C 159 58.153 40.453 91.731 1.00 77.16 H +ATOM 7036 HB3 LYS C 159 57.916 41.918 90.783 1.00 77.16 H +ATOM 7037 HG2 LYS C 159 60.269 41.739 89.956 1.00 82.79 H +ATOM 7038 HG3 LYS C 159 60.412 40.181 90.794 1.00 82.79 H +ATOM 7039 HD2 LYS C 159 58.488 39.312 89.488 1.00 94.30 H +ATOM 7040 HD3 LYS C 159 58.378 40.863 88.631 1.00 94.30 H +ATOM 7041 HE2 LYS C 159 60.716 40.547 87.823 1.00101.52 H +ATOM 7042 HE3 LYS C 159 60.774 38.985 88.632 1.00101.52 H +ATOM 7043 HZ1 LYS C 159 60.192 38.726 86.301 1.00 98.65 H +ATOM 7044 HZ2 LYS C 159 58.927 38.263 87.217 1.00 98.65 H +ATOM 7045 HZ3 LYS C 159 58.897 39.703 86.453 1.00 98.65 H +ATOM 7046 N GLN C 160 58.523 43.054 94.627 1.00 60.56 N +ATOM 7047 CA GLN C 160 57.643 43.650 95.630 1.00 61.08 C +ATOM 7048 C GLN C 160 57.736 45.180 95.613 1.00 61.01 C +ATOM 7049 O GLN C 160 58.760 45.741 95.229 1.00 60.87 O +ATOM 7050 CB GLN C 160 58.012 43.125 97.028 1.00 69.41 C +ATOM 7051 CG GLN C 160 58.025 41.593 97.144 1.00 73.53 C +ATOM 7052 CD GLN C 160 56.701 40.943 96.750 1.00 79.91 C +ATOM 7053 OE1 GLN C 160 55.671 41.139 97.379 1.00 78.57 O +ATOM 7054 NE2 GLN C 160 56.670 40.141 95.712 1.00 76.01 N +ATOM 7055 H GLN C 160 59.505 42.983 94.848 1.00 72.67 H +ATOM 7056 HA GLN C 160 56.610 43.374 95.422 1.00 73.30 H +ATOM 7057 HB2 GLN C 160 59.000 43.495 97.297 1.00 83.29 H +ATOM 7058 HB3 GLN C 160 57.299 43.520 97.751 1.00 83.29 H +ATOM 7059 HG2 GLN C 160 58.827 41.192 96.526 1.00 88.23 H +ATOM 7060 HG3 GLN C 160 58.246 41.323 98.175 1.00 88.23 H +ATOM 7061 HE21 GLN C 160 55.793 39.706 95.469 1.00 91.21 H +ATOM 7062 HE22 GLN C 160 57.503 39.981 95.167 1.00 91.21 H +ATOM 7063 N GLY C 161 56.693 45.861 96.096 1.00 61.38 N +ATOM 7064 CA GLY C 161 56.780 47.270 96.502 1.00 59.15 C +ATOM 7065 C GLY C 161 57.520 47.465 97.836 1.00 57.69 C +ATOM 7066 O GLY C 161 57.982 46.503 98.452 1.00 57.73 O +ATOM 7067 H GLY C 161 55.878 45.341 96.387 1.00 73.66 H +ATOM 7068 HA2 GLY C 161 57.297 47.846 95.735 1.00 70.98 H +ATOM 7069 HA3 GLY C 161 55.776 47.679 96.606 1.00 70.98 H +ATOM 7070 N ILE C 162 57.600 48.708 98.311 1.00 52.08 N +ATOM 7071 CA ILE C 162 58.212 49.081 99.605 1.00 49.35 C +ATOM 7072 C ILE C 162 57.390 50.166 100.307 1.00 50.79 C +ATOM 7073 O ILE C 162 56.708 50.959 99.659 1.00 51.89 O +ATOM 7074 CB ILE C 162 59.692 49.523 99.449 1.00 53.16 C +ATOM 7075 CG1 ILE C 162 59.823 50.745 98.513 1.00 57.70 C +ATOM 7076 CG2 ILE C 162 60.578 48.352 99.006 1.00 50.72 C +ATOM 7077 CD1 ILE C 162 61.245 51.251 98.266 1.00 49.70 C +ATOM 7078 H ILE C 162 57.166 49.442 97.772 1.00 62.50 H +ATOM 7079 HA ILE C 162 58.197 48.212 100.263 1.00 59.22 H +ATOM 7080 HB ILE C 162 60.049 49.825 100.433 1.00 63.79 H +ATOM 7081 HG12 ILE C 162 59.384 50.498 97.546 1.00 69.23 H +ATOM 7082 HG13 ILE C 162 59.257 51.574 98.934 1.00 69.23 H +ATOM 7083 HG21 ILE C 162 61.629 48.611 99.125 1.00 60.87 H +ATOM 7084 HG22 ILE C 162 60.375 47.481 99.629 1.00 60.87 H +ATOM 7085 HG23 ILE C 162 60.384 48.100 97.964 1.00 60.87 H +ATOM 7086 HD11 ILE C 162 61.189 52.121 97.613 1.00 59.64 H +ATOM 7087 HD12 ILE C 162 61.709 51.534 99.210 1.00 59.64 H +ATOM 7088 HD13 ILE C 162 61.844 50.489 97.769 1.00 59.64 H +ATOM 7089 N ARG C 163 57.473 50.238 101.636 1.00 46.20 N +ATOM 7090 CA ARG C 163 56.779 51.245 102.448 1.00 47.91 C +ATOM 7091 C ARG C 163 57.738 52.118 103.232 1.00 50.36 C +ATOM 7092 O ARG C 163 58.620 51.604 103.911 1.00 50.07 O +ATOM 7093 CB ARG C 163 55.812 50.556 103.406 1.00 56.94 C +ATOM 7094 CG ARG C 163 54.561 50.080 102.670 1.00 63.95 C +ATOM 7095 CD ARG C 163 53.548 49.601 103.704 1.00 72.15 C +ATOM 7096 NE ARG C 163 52.252 49.310 103.096 1.00 78.66 N +ATOM 7097 CZ ARG C 163 51.243 48.690 103.654 1.00 83.13 C +ATOM 7098 NH1 ARG C 163 50.151 48.578 102.968 1.00 76.77 N +ATOM 7099 NH2 ARG C 163 51.290 48.196 104.858 1.00 88.62 N +ATOM 7100 H ARG C 163 58.064 49.572 102.112 1.00 55.44 H +ATOM 7101 HA ARG C 163 56.205 51.913 101.806 1.00 57.50 H +ATOM 7102 HB2 ARG C 163 56.300 49.714 103.896 1.00 68.33 H +ATOM 7103 HB3 ARG C 163 55.512 51.275 104.166 1.00 68.33 H +ATOM 7104 HG2 ARG C 163 54.135 50.916 102.116 1.00 76.74 H +ATOM 7105 HG3 ARG C 163 54.808 49.272 101.983 1.00 76.74 H +ATOM 7106 HD2 ARG C 163 53.943 48.710 104.191 1.00 86.58 H +ATOM 7107 HD3 ARG C 163 53.407 50.393 104.438 1.00 86.58 H +ATOM 7108 HE ARG C 163 52.066 49.654 102.166 1.00 94.40 H +ATOM 7109 HH11 ARG C 163 50.145 48.977 102.042 1.00 92.12 H +ATOM 7110 HH12 ARG C 163 49.340 48.119 103.351 1.00 92.12 H +ATOM 7111 HH21 ARG C 163 52.141 48.266 105.396 1.00106.35 H +ATOM 7112 HH22 ARG C 163 50.485 47.715 105.229 1.00106.35 H +ATOM 7113 N ILE C 164 57.519 53.429 103.190 1.00 50.85 N +ATOM 7114 CA ILE C 164 58.282 54.392 103.995 1.00 53.16 C +ATOM 7115 C ILE C 164 57.559 54.847 105.263 1.00 61.36 C +ATOM 7116 O ILE C 164 58.180 55.435 106.143 1.00 61.81 O +ATOM 7117 CB ILE C 164 58.693 55.617 103.159 1.00 55.72 C +ATOM 7118 CG1 ILE C 164 57.508 56.468 102.656 1.00 56.98 C +ATOM 7119 CG2 ILE C 164 59.594 55.169 102.005 1.00 59.52 C +ATOM 7120 CD1 ILE C 164 57.933 57.872 102.215 1.00 59.98 C +ATOM 7121 H ILE C 164 56.752 53.771 102.631 1.00 61.03 H +ATOM 7122 HA ILE C 164 59.198 53.903 104.326 1.00 63.79 H +ATOM 7123 HB ILE C 164 59.295 56.251 103.810 1.00 66.86 H +ATOM 7124 HG12 ILE C 164 57.035 55.969 101.811 1.00 68.38 H +ATOM 7125 HG13 ILE C 164 56.766 56.582 103.445 1.00 68.38 H +ATOM 7126 HG21 ILE C 164 60.010 56.041 101.503 1.00 71.42 H +ATOM 7127 HG22 ILE C 164 60.417 54.566 102.385 1.00 71.42 H +ATOM 7128 HG23 ILE C 164 59.033 54.581 101.280 1.00 71.42 H +ATOM 7129 HD11 ILE C 164 57.046 58.463 101.989 1.00 71.97 H +ATOM 7130 HD12 ILE C 164 58.498 58.362 103.006 1.00 71.97 H +ATOM 7131 HD13 ILE C 164 58.555 57.824 101.323 1.00 71.97 H +ATOM 7132 N ASP C 165 56.247 54.657 105.326 1.00 61.93 N +ATOM 7133 CA ASP C 165 55.361 55.249 106.328 1.00 68.01 C +ATOM 7134 C ASP C 165 55.094 54.321 107.535 1.00 71.18 C +ATOM 7135 O ASP C 165 55.768 53.310 107.745 1.00 67.36 O +ATOM 7136 CB ASP C 165 54.062 55.661 105.603 1.00 71.25 C +ATOM 7137 CG ASP C 165 53.210 54.492 105.080 1.00 70.30 C +ATOM 7138 OD1 ASP C 165 53.579 53.319 105.292 1.00 65.48 O +ATOM 7139 OD2 ASP C 165 52.129 54.770 104.522 1.00 70.11 O +ATOM 7140 H ASP C 165 55.806 54.117 104.596 1.00 74.31 H +ATOM 7141 HA ASP C 165 55.817 56.158 106.719 1.00 81.61 H +ATOM 7142 HB2 ASP C 165 53.459 56.265 106.280 1.00 85.50 H +ATOM 7143 HB3 ASP C 165 54.332 56.305 104.767 1.00 85.50 H +ATOM 7144 N ALA C 166 54.074 54.658 108.331 1.00 71.49 N +ATOM 7145 CA ALA C 166 53.583 53.850 109.449 1.00 75.18 C +ATOM 7146 C ALA C 166 52.981 52.485 109.041 1.00 73.79 C +ATOM 7147 O ALA C 166 52.692 51.661 109.909 1.00 75.89 O +ATOM 7148 CB ALA C 166 52.564 54.695 110.220 1.00 72.82 C +ATOM 7149 H ALA C 166 53.579 55.516 108.138 1.00 85.78 H +ATOM 7150 HA ALA C 166 54.423 53.642 110.111 1.00 90.21 H +ATOM 7151 HB1 ALA C 166 52.242 54.157 111.110 1.00 87.38 H +ATOM 7152 HB2 ALA C 166 53.016 55.637 110.527 1.00 87.38 H +ATOM 7153 HB3 ALA C 166 51.696 54.897 109.595 1.00 87.38 H +ATOM 7154 N GLY C 167 52.793 52.215 107.748 1.00 62.97 N +ATOM 7155 CA GLY C 167 52.493 50.883 107.226 1.00 61.59 C +ATOM 7156 C GLY C 167 53.744 50.021 107.007 1.00 64.32 C +ATOM 7157 O GLY C 167 53.604 48.820 106.771 1.00 64.98 O +ATOM 7158 H GLY C 167 53.052 52.909 107.063 1.00 75.57 H +ATOM 7159 HA2 GLY C 167 51.820 50.358 107.902 1.00 73.91 H +ATOM 7160 HA3 GLY C 167 51.990 50.997 106.267 1.00 73.91 H +ATOM 7161 N GLY C 168 54.945 50.610 107.057 1.00 63.55 N +ATOM 7162 CA GLY C 168 56.248 49.933 107.026 1.00 60.11 C +ATOM 7163 C GLY C 168 56.892 49.765 108.411 1.00 54.25 C +ATOM 7164 O GLY C 168 56.240 49.909 109.446 1.00 54.93 O +ATOM 7165 H GLY C 168 54.965 51.605 107.225 1.00 76.26 H +ATOM 7166 HA2 GLY C 168 56.155 48.949 106.569 1.00 72.13 H +ATOM 7167 HA3 GLY C 168 56.927 50.522 106.411 1.00 72.13 H +ATOM 7168 N ILE C 169 58.188 49.447 108.440 1.00 52.74 N +ATOM 7169 CA ILE C 169 58.958 49.258 109.684 1.00 52.77 C +ATOM 7170 C ILE C 169 59.276 50.575 110.420 1.00 57.59 C +ATOM 7171 O ILE C 169 59.154 51.671 109.872 1.00 62.42 O +ATOM 7172 CB ILE C 169 60.241 48.425 109.441 1.00 46.26 C +ATOM 7173 CG1 ILE C 169 61.366 49.175 108.695 1.00 49.36 C +ATOM 7174 CG2 ILE C 169 59.919 47.095 108.743 1.00 47.03 C +ATOM 7175 CD1 ILE C 169 62.747 48.623 109.061 1.00 47.73 C +ATOM 7176 H ILE C 169 58.674 49.335 107.563 1.00 63.29 H +ATOM 7177 HA ILE C 169 58.339 48.671 110.361 1.00 63.32 H +ATOM 7178 HB ILE C 169 60.622 48.170 110.428 1.00 55.51 H +ATOM 7179 HG12 ILE C 169 61.215 49.099 107.620 1.00 59.23 H +ATOM 7180 HG13 ILE C 169 61.367 50.232 108.959 1.00 59.23 H +ATOM 7181 HG21 ILE C 169 60.786 46.437 108.766 1.00 56.44 H +ATOM 7182 HG22 ILE C 169 59.101 46.599 109.261 1.00 56.44 H +ATOM 7183 HG23 ILE C 169 59.632 47.261 107.707 1.00 56.44 H +ATOM 7184 HD11 ILE C 169 63.509 49.143 108.486 1.00 57.28 H +ATOM 7185 HD12 ILE C 169 62.939 48.781 110.121 1.00 57.28 H +ATOM 7186 HD13 ILE C 169 62.804 47.558 108.845 1.00 57.28 H +ATOM 7187 N ASP C 170 59.751 50.459 111.660 1.00 60.24 N +ATOM 7188 CA ASP C 170 60.338 51.546 112.449 1.00 61.74 C +ATOM 7189 C ASP C 170 61.859 51.376 112.547 1.00 63.30 C +ATOM 7190 O ASP C 170 62.360 50.267 112.739 1.00 64.84 O +ATOM 7191 CB ASP C 170 59.684 51.585 113.829 1.00 68.04 C +ATOM 7192 CG ASP C 170 60.158 52.794 114.637 1.00 71.09 C +ATOM 7193 OD1 ASP C 170 61.338 52.828 115.035 1.00 78.30 O +ATOM 7194 OD2 ASP C 170 59.327 53.692 114.868 1.00 71.44 O +ATOM 7195 H ASP C 170 59.829 49.531 112.048 1.00 72.29 H +ATOM 7196 HA ASP C 170 60.136 52.502 111.965 1.00 74.09 H +ATOM 7197 HB2 ASP C 170 58.603 51.634 113.702 1.00 81.64 H +ATOM 7198 HB3 ASP C 170 59.918 50.668 114.367 1.00 81.64 H +ATOM 7199 N LEU C 171 62.604 52.466 112.374 1.00 62.54 N +ATOM 7200 CA LEU C 171 64.064 52.412 112.311 1.00 67.48 C +ATOM 7201 C LEU C 171 64.749 52.281 113.680 1.00 64.99 C +ATOM 7202 O LEU C 171 65.885 51.823 113.746 1.00 69.63 O +ATOM 7203 CB LEU C 171 64.567 53.657 111.569 1.00 74.63 C +ATOM 7204 CG LEU C 171 64.018 53.817 110.138 1.00 69.92 C +ATOM 7205 CD1 LEU C 171 64.763 54.961 109.463 1.00 64.75 C +ATOM 7206 CD2 LEU C 171 64.227 52.565 109.285 1.00 68.65 C +ATOM 7207 H LEU C 171 62.145 53.361 112.294 1.00 75.05 H +ATOM 7208 HA LEU C 171 64.360 51.529 111.745 1.00 80.98 H +ATOM 7209 HB2 LEU C 171 64.304 54.543 112.146 1.00 89.56 H +ATOM 7210 HB3 LEU C 171 65.654 53.600 111.520 1.00 89.56 H +ATOM 7211 HG LEU C 171 62.956 54.056 110.167 1.00 83.91 H +ATOM 7212 HD11 LEU C 171 64.335 55.161 108.483 1.00 77.70 H +ATOM 7213 HD12 LEU C 171 64.681 55.850 110.083 1.00 77.70 H +ATOM 7214 HD13 LEU C 171 65.815 54.713 109.348 1.00 77.70 H +ATOM 7215 HD21 LEU C 171 63.979 52.770 108.246 1.00 82.38 H +ATOM 7216 HD22 LEU C 171 65.267 52.247 109.337 1.00 82.38 H +ATOM 7217 HD23 LEU C 171 63.584 51.761 109.638 1.00 82.38 H +ATOM 7218 N VAL C 172 64.092 52.673 114.771 1.00 65.71 N +ATOM 7219 CA VAL C 172 64.650 52.694 116.135 1.00 75.18 C +ATOM 7220 C VAL C 172 64.526 51.312 116.783 1.00 70.60 C +ATOM 7221 O VAL C 172 63.911 51.125 117.832 1.00 69.72 O +ATOM 7222 CB VAL C 172 64.036 53.823 116.990 1.00 81.48 C +ATOM 7223 CG1 VAL C 172 64.924 54.120 118.209 1.00 82.73 C +ATOM 7224 CG2 VAL C 172 63.891 55.117 116.175 1.00 80.31 C +ATOM 7225 H VAL C 172 63.120 52.924 114.675 1.00 78.86 H +ATOM 7226 HA VAL C 172 65.716 52.902 116.051 1.00 90.22 H +ATOM 7227 HB VAL C 172 63.045 53.536 117.338 1.00 97.78 H +ATOM 7228 HG11 VAL C 172 64.467 54.894 118.823 1.00 99.28 H +ATOM 7229 HG12 VAL C 172 65.043 53.229 118.823 1.00 99.28 H +ATOM 7230 HG13 VAL C 172 65.907 54.458 117.885 1.00 99.28 H +ATOM 7231 HG21 VAL C 172 63.689 55.961 116.828 1.00 96.37 H +ATOM 7232 HG22 VAL C 172 64.805 55.310 115.618 1.00 96.37 H +ATOM 7233 HG23 VAL C 172 63.064 55.014 115.477 1.00 96.37 H +ATOM 7234 N ASP C 173 65.061 50.310 116.098 1.00 72.55 N +ATOM 7235 CA ASP C 173 64.842 48.897 116.375 1.00 73.48 C +ATOM 7236 C ASP C 173 66.168 48.114 116.308 1.00 73.07 C +ATOM 7237 O ASP C 173 66.948 48.305 115.372 1.00 74.65 O +ATOM 7238 CB ASP C 173 63.801 48.391 115.368 1.00 76.68 C +ATOM 7239 CG ASP C 173 63.386 46.951 115.648 1.00 74.30 C +ATOM 7240 OD1 ASP C 173 64.250 46.055 115.545 1.00 75.44 O +ATOM 7241 OD2 ASP C 173 62.197 46.724 115.961 1.00 69.31 O +ATOM 7242 H ASP C 173 65.558 50.540 115.250 1.00 87.06 H +ATOM 7243 HA ASP C 173 64.417 48.792 117.372 1.00 88.17 H +ATOM 7244 HB2 ASP C 173 62.923 49.034 115.408 1.00 92.02 H +ATOM 7245 HB3 ASP C 173 64.216 48.452 114.362 1.00 92.02 H +ATOM 7246 N PRO C 174 66.458 47.213 117.261 1.00 73.44 N +ATOM 7247 CA PRO C 174 67.727 46.509 117.281 1.00 77.93 C +ATOM 7248 C PRO C 174 67.982 45.659 116.031 1.00 77.36 C +ATOM 7249 O PRO C 174 69.134 45.351 115.761 1.00 84.98 O +ATOM 7250 CB PRO C 174 67.700 45.670 118.559 1.00 85.74 C +ATOM 7251 CG PRO C 174 66.215 45.460 118.819 1.00 84.50 C +ATOM 7252 CD PRO C 174 65.636 46.799 118.381 1.00 75.72 C +ATOM 7253 HA PRO C 174 68.534 47.238 117.354 1.00 93.51 H +ATOM 7254 HB2 PRO C 174 68.234 44.728 118.449 1.00102.89 H +ATOM 7255 HB3 PRO C 174 68.120 46.255 119.376 1.00102.89 H +ATOM 7256 HG2 PRO C 174 65.837 44.665 118.179 1.00101.40 H +ATOM 7257 HG3 PRO C 174 66.011 45.252 119.868 1.00101.40 H +ATOM 7258 HD2 PRO C 174 64.590 46.681 118.102 1.00 90.86 H +ATOM 7259 HD3 PRO C 174 65.732 47.522 119.190 1.00 90.86 H +ATOM 7260 N THR C 175 66.985 45.337 115.203 1.00 73.22 N +ATOM 7261 CA THR C 175 67.192 44.676 113.896 1.00 81.86 C +ATOM 7262 C THR C 175 68.106 45.437 112.928 1.00 77.88 C +ATOM 7263 O THR C 175 68.610 44.839 111.978 1.00 76.34 O +ATOM 7264 CB THR C 175 65.859 44.388 113.202 1.00 80.99 C +ATOM 7265 OG1 THR C 175 65.080 45.552 113.155 1.00 78.97 O +ATOM 7266 CG2 THR C 175 65.057 43.307 113.915 1.00 83.71 C +ATOM 7267 H THR C 175 66.051 45.646 115.428 1.00 87.86 H +ATOM 7268 HA THR C 175 67.678 43.715 114.065 1.00 98.23 H +ATOM 7269 HB THR C 175 66.051 44.052 112.184 1.00 97.19 H +ATOM 7270 HG1 THR C 175 64.817 45.721 114.062 1.00 94.77 H +ATOM 7271 HG21 THR C 175 64.111 43.157 113.403 1.00100.45 H +ATOM 7272 HG22 THR C 175 65.614 42.375 113.901 1.00100.45 H +ATOM 7273 HG23 THR C 175 64.868 43.588 114.947 1.00100.45 H +ATOM 7274 N LEU C 176 68.418 46.711 113.186 1.00 78.31 N +ATOM 7275 CA LEU C 176 69.512 47.436 112.528 1.00 68.11 C +ATOM 7276 C LEU C 176 70.906 46.798 112.764 1.00 70.67 C +ATOM 7277 O LEU C 176 71.851 47.119 112.044 1.00 65.00 O +ATOM 7278 CB LEU C 176 69.487 48.893 113.029 1.00 60.42 C +ATOM 7279 CG LEU C 176 68.527 49.870 112.315 1.00 59.33 C +ATOM 7280 CD1 LEU C 176 69.116 50.355 110.991 1.00 55.03 C +ATOM 7281 CD2 LEU C 176 67.136 49.311 112.017 1.00 67.38 C +ATOM 7282 H LEU C 176 67.937 47.174 113.942 1.00 93.97 H +ATOM 7283 HA LEU C 176 69.348 47.427 111.451 1.00 81.74 H +ATOM 7284 HB2 LEU C 176 69.255 48.893 114.093 1.00 72.50 H +ATOM 7285 HB3 LEU C 176 70.491 49.306 112.937 1.00 72.50 H +ATOM 7286 HG LEU C 176 68.410 50.745 112.953 1.00 71.20 H +ATOM 7287 HD11 LEU C 176 68.452 51.092 110.541 1.00 66.03 H +ATOM 7288 HD12 LEU C 176 70.082 50.824 111.170 1.00 66.03 H +ATOM 7289 HD13 LEU C 176 69.245 49.518 110.306 1.00 66.03 H +ATOM 7290 HD21 LEU C 176 66.517 50.097 111.585 1.00 80.86 H +ATOM 7291 HD22 LEU C 176 67.192 48.480 111.316 1.00 80.86 H +ATOM 7292 HD23 LEU C 176 66.664 48.981 112.942 1.00 80.86 H +ATOM 7293 N TYR C 177 71.056 45.895 113.741 1.00 78.76 N +ATOM 7294 CA TYR C 177 72.296 45.145 114.018 1.00 81.52 C +ATOM 7295 C TYR C 177 72.075 43.681 114.451 1.00 83.78 C +ATOM 7296 O TYR C 177 72.911 42.826 114.167 1.00 87.36 O +ATOM 7297 CB TYR C 177 73.111 45.878 115.100 1.00 81.92 C +ATOM 7298 CG TYR C 177 72.639 45.630 116.521 1.00 80.58 C +ATOM 7299 CD1 TYR C 177 71.588 46.384 117.063 1.00 84.62 C +ATOM 7300 CD2 TYR C 177 73.218 44.600 117.281 1.00 77.83 C +ATOM 7301 CE1 TYR C 177 71.095 46.093 118.347 1.00 92.11 C +ATOM 7302 CE2 TYR C 177 72.731 44.312 118.568 1.00 83.10 C +ATOM 7303 CZ TYR C 177 71.660 45.051 119.100 1.00 90.49 C +ATOM 7304 OH TYR C 177 71.198 44.760 120.342 1.00 93.64 O +ATOM 7305 H TYR C 177 70.261 45.726 114.339 1.00 94.51 H +ATOM 7306 HA TYR C 177 72.895 45.115 113.109 1.00 97.82 H +ATOM 7307 HB2 TYR C 177 74.147 45.548 115.023 1.00 98.30 H +ATOM 7308 HB3 TYR C 177 73.099 46.950 114.906 1.00 98.30 H +ATOM 7309 HD1 TYR C 177 71.135 47.173 116.482 1.00101.54 H +ATOM 7310 HD2 TYR C 177 74.028 44.016 116.872 1.00 93.40 H +ATOM 7311 HE1 TYR C 177 70.292 46.681 118.765 1.00110.53 H +ATOM 7312 HE2 TYR C 177 73.173 43.521 119.154 1.00 99.72 H +ATOM 7313 HH TYR C 177 70.245 44.835 120.423 1.00112.37 H +ATOM 7314 N GLY C 178 70.978 43.382 115.146 1.00 79.52 N +ATOM 7315 CA GLY C 178 70.756 42.126 115.855 1.00 92.72 C +ATOM 7316 C GLY C 178 69.379 42.081 116.522 1.00 95.55 C +ATOM 7317 O GLY C 178 68.374 42.392 115.889 1.00 92.03 O +ATOM 7318 H GLY C 178 70.334 44.132 115.352 1.00 95.42 H +ATOM 7319 HA2 GLY C 178 70.827 41.291 115.160 1.00111.26 H +ATOM 7320 HA3 GLY C 178 71.528 42.008 116.615 1.00111.26 H +ATOM 7321 N TYR C 179 69.313 41.678 117.794 1.00104.87 N +ATOM 7322 CA TYR C 179 68.056 41.474 118.535 1.00106.42 C +ATOM 7323 C TYR C 179 68.196 41.879 120.010 1.00103.67 C +ATOM 7324 O TYR C 179 69.279 41.753 120.587 1.00 98.65 O +ATOM 7325 CB TYR C 179 67.614 40.001 118.449 1.00115.76 C +ATOM 7326 CG TYR C 179 67.674 39.376 117.068 1.00119.55 C +ATOM 7327 CD1 TYR C 179 66.620 39.563 116.157 1.00124.46 C +ATOM 7328 CD2 TYR C 179 68.807 38.633 116.687 1.00121.12 C +ATOM 7329 CE1 TYR C 179 66.705 39.016 114.862 1.00127.83 C +ATOM 7330 CE2 TYR C 179 68.900 38.098 115.389 1.00127.96 C +ATOM 7331 CZ TYR C 179 67.850 38.293 114.471 1.00129.25 C +ATOM 7332 OH TYR C 179 67.939 37.787 113.214 1.00133.86 O +ATOM 7333 H TYR C 179 70.171 41.442 118.269 1.00125.84 H +ATOM 7334 HA TYR C 179 67.274 42.088 118.088 1.00127.70 H +ATOM 7335 HB2 TYR C 179 68.244 39.412 119.114 1.00138.91 H +ATOM 7336 HB3 TYR C 179 66.595 39.923 118.825 1.00138.91 H +ATOM 7337 HD1 TYR C 179 65.753 40.135 116.447 1.00149.35 H +ATOM 7338 HD2 TYR C 179 69.612 38.486 117.387 1.00145.34 H +ATOM 7339 HE1 TYR C 179 65.902 39.158 114.156 1.00153.39 H +ATOM 7340 HE2 TYR C 179 69.774 37.542 115.095 1.00153.56 H +ATOM 7341 HH TYR C 179 68.749 37.301 113.090 1.00160.63 H +ATOM 7342 N ALA C 180 67.093 42.318 120.626 1.00 99.19 N +ATOM 7343 CA ALA C 180 67.036 42.818 122.007 1.00 95.93 C +ATOM 7344 C ALA C 180 68.059 43.940 122.304 1.00 92.83 C +ATOM 7345 O ALA C 180 68.669 44.518 121.399 1.00 94.10 O +ATOM 7346 CB ALA C 180 67.131 41.615 122.963 1.00 95.71 C +ATOM 7347 H ALA C 180 66.234 42.335 120.097 1.00119.03 H +ATOM 7348 HA ALA C 180 66.053 43.262 122.156 1.00115.12 H +ATOM 7349 HB1 ALA C 180 66.911 41.927 123.983 1.00114.85 H +ATOM 7350 HB2 ALA C 180 66.404 40.857 122.675 1.00114.85 H +ATOM 7351 HB3 ALA C 180 68.129 41.181 122.932 1.00114.85 H +ATOM 7352 N VAL C 181 68.256 44.274 123.582 1.00 92.89 N +ATOM 7353 CA VAL C 181 69.435 45.034 124.035 1.00 95.75 C +ATOM 7354 C VAL C 181 70.607 44.056 124.174 1.00 96.65 C +ATOM 7355 O VAL C 181 70.726 43.351 125.175 1.00 98.88 O +ATOM 7356 CB VAL C 181 69.163 45.801 125.348 1.00 93.43 C +ATOM 7357 CG1 VAL C 181 70.395 46.583 125.819 1.00 95.22 C +ATOM 7358 CG2 VAL C 181 68.019 46.809 125.178 1.00 93.50 C +ATOM 7359 H VAL C 181 67.698 43.810 124.283 1.00111.46 H +ATOM 7360 HA VAL C 181 69.697 45.777 123.282 1.00114.90 H +ATOM 7361 HB VAL C 181 68.881 45.094 126.129 1.00112.11 H +ATOM 7362 HG11 VAL C 181 70.154 47.146 126.719 1.00114.26 H +ATOM 7363 HG12 VAL C 181 71.205 45.898 126.065 1.00114.26 H +ATOM 7364 HG13 VAL C 181 70.725 47.270 125.041 1.00114.26 H +ATOM 7365 HG21 VAL C 181 67.821 47.298 126.129 1.00112.21 H +ATOM 7366 HG22 VAL C 181 68.281 47.552 124.428 1.00112.21 H +ATOM 7367 HG23 VAL C 181 67.109 46.298 124.871 1.00112.21 H +ATOM 7368 N GLY C 182 71.473 43.999 123.162 1.00 99.40 N +ATOM 7369 CA GLY C 182 72.728 43.242 123.163 1.00102.86 C +ATOM 7370 C GLY C 182 73.802 43.914 124.022 1.00110.44 C +ATOM 7371 O GLY C 182 74.883 44.238 123.536 1.00114.99 O +ATOM 7372 H GLY C 182 71.277 44.548 122.338 1.00119.29 H +ATOM 7373 HA2 GLY C 182 72.552 42.239 123.549 1.00123.43 H +ATOM 7374 HA3 GLY C 182 73.096 43.157 122.141 1.00123.43 H +ATOM 7375 N ASP C 183 73.482 44.157 125.293 1.00111.68 N +ATOM 7376 CA ASP C 183 74.147 45.110 126.192 1.00112.54 C +ATOM 7377 C ASP C 183 74.020 46.580 125.723 1.00110.12 C +ATOM 7378 O ASP C 183 73.636 46.837 124.580 1.00106.79 O +ATOM 7379 CB ASP C 183 75.599 44.697 126.479 1.00119.99 C +ATOM 7380 CG ASP C 183 75.774 43.195 126.719 1.00119.84 C +ATOM 7381 OD1 ASP C 183 75.059 42.623 127.574 1.00120.08 O +ATOM 7382 OD2 ASP C 183 76.667 42.600 126.074 1.00124.08 O +ATOM 7383 H ASP C 183 72.585 43.805 125.591 1.00134.01 H +ATOM 7384 HA ASP C 183 73.615 45.036 127.139 1.00135.04 H +ATOM 7385 HB2 ASP C 183 76.225 45.013 125.646 1.00143.98 H +ATOM 7386 HB3 ASP C 183 75.958 45.224 127.361 1.00143.98 H +ATOM 7387 N PRO C 184 74.322 47.581 126.575 1.00112.37 N +ATOM 7388 CA PRO C 184 74.104 48.995 126.255 1.00114.01 C +ATOM 7389 C PRO C 184 74.849 49.551 125.032 1.00109.67 C +ATOM 7390 O PRO C 184 74.559 50.668 124.616 1.00105.33 O +ATOM 7391 CB PRO C 184 74.471 49.766 127.525 1.00117.07 C +ATOM 7392 CG PRO C 184 74.131 48.767 128.622 1.00116.84 C +ATOM 7393 CD PRO C 184 74.581 47.450 128.001 1.00113.58 C +ATOM 7394 HA PRO C 184 73.037 49.126 126.077 1.00136.81 H +ATOM 7395 HB2 PRO C 184 75.539 49.982 127.543 1.00140.49 H +ATOM 7396 HB3 PRO C 184 73.890 50.683 127.621 1.00140.49 H +ATOM 7397 HG2 PRO C 184 74.663 48.981 129.549 1.00140.21 H +ATOM 7398 HG3 PRO C 184 73.055 48.750 128.786 1.00140.21 H +ATOM 7399 HD2 PRO C 184 75.650 47.320 128.166 1.00136.30 H +ATOM 7400 HD3 PRO C 184 74.027 46.629 128.455 1.00136.30 H +ATOM 7401 N ARG C 185 75.752 48.790 124.398 1.00112.36 N +ATOM 7402 CA ARG C 185 76.495 49.210 123.194 1.00111.60 C +ATOM 7403 C ARG C 185 75.601 49.761 122.076 1.00106.34 C +ATOM 7404 O ARG C 185 75.976 50.729 121.420 1.00103.49 O +ATOM 7405 CB ARG C 185 77.380 48.049 122.697 1.00115.22 C +ATOM 7406 CG ARG C 185 76.601 46.904 122.023 1.00116.17 C +ATOM 7407 CD ARG C 185 77.463 45.660 121.798 1.00122.35 C +ATOM 7408 NE ARG C 185 77.654 44.899 123.048 1.00127.95 N +ATOM 7409 CZ ARG C 185 78.768 44.728 123.739 1.00137.56 C +ATOM 7410 NH1 ARG C 185 78.792 43.970 124.793 1.00138.02 N +ATOM 7411 NH2 ARG C 185 79.886 45.302 123.410 1.00131.28 N +ATOM 7412 H ARG C 185 75.930 47.872 124.776 1.00134.84 H +ATOM 7413 HA ARG C 185 77.160 50.025 123.480 1.00133.92 H +ATOM 7414 HB2 ARG C 185 78.099 48.441 121.980 1.00138.27 H +ATOM 7415 HB3 ARG C 185 77.942 47.657 123.544 1.00138.27 H +ATOM 7416 HG2 ARG C 185 75.736 46.631 122.627 1.00139.41 H +ATOM 7417 HG3 ARG C 185 76.247 47.245 121.051 1.00139.41 H +ATOM 7418 HD2 ARG C 185 76.944 45.017 121.088 1.00146.82 H +ATOM 7419 HD3 ARG C 185 78.412 45.947 121.347 1.00146.82 H +ATOM 7420 HE ARG C 185 76.832 44.434 123.403 1.00153.54 H +ATOM 7421 HH11 ARG C 185 77.966 43.476 125.099 1.00165.62 H +ATOM 7422 HH12 ARG C 185 79.655 43.845 125.299 1.00165.62 H +ATOM 7423 HH21 ARG C 185 79.917 45.888 122.590 1.00157.54 H +ATOM 7424 HH22 ARG C 185 80.718 45.144 123.957 1.00157.54 H +ATOM 7425 N TRP C 186 74.406 49.193 121.878 1.00104.74 N +ATOM 7426 CA TRP C 186 73.457 49.696 120.884 1.00 98.01 C +ATOM 7427 C TRP C 186 72.804 51.006 121.334 1.00 95.17 C +ATOM 7428 O TRP C 186 72.832 51.973 120.577 1.00 96.60 O +ATOM 7429 CB TRP C 186 72.419 48.633 120.520 1.00 90.73 C +ATOM 7430 CG TRP C 186 71.465 49.084 119.458 1.00 83.21 C +ATOM 7431 CD1 TRP C 186 71.816 49.414 118.195 1.00 80.09 C +ATOM 7432 CD2 TRP C 186 70.020 49.303 119.536 1.00 83.96 C +ATOM 7433 NE1 TRP C 186 70.697 49.810 117.487 1.00 82.42 N +ATOM 7434 CE2 TRP C 186 69.560 49.749 118.261 1.00 83.34 C +ATOM 7435 CE3 TRP C 186 69.048 49.165 120.550 1.00 87.91 C +ATOM 7436 CZ2 TRP C 186 68.214 50.039 118.006 1.00 75.15 C +ATOM 7437 CZ3 TRP C 186 67.691 49.448 120.302 1.00 84.00 C +ATOM 7438 CH2 TRP C 186 67.274 49.887 119.035 1.00 75.70 C +ATOM 7439 H TRP C 186 74.154 48.397 122.445 1.00125.69 H +ATOM 7440 HA TRP C 186 74.007 49.919 119.970 1.00117.62 H +ATOM 7441 HB2 TRP C 186 72.936 47.743 120.163 1.00108.87 H +ATOM 7442 HB3 TRP C 186 71.851 48.360 121.409 1.00108.87 H +ATOM 7443 HD1 TRP C 186 72.820 49.376 117.801 1.00 96.11 H +ATOM 7444 HE1 TRP C 186 70.738 50.145 116.536 1.00 98.90 H +ATOM 7445 HE3 TRP C 186 69.351 48.834 121.531 1.00105.49 H +ATOM 7446 HZ2 TRP C 186 67.910 50.382 117.029 1.00 90.18 H +ATOM 7447 HZ3 TRP C 186 66.966 49.337 121.094 1.00100.79 H +ATOM 7448 HH2 TRP C 186 66.233 50.113 118.861 1.00 90.84 H +ATOM 7449 N LYS C 187 72.327 51.103 122.583 1.00 97.12 N +ATOM 7450 CA LYS C 187 71.821 52.363 123.161 1.00 94.67 C +ATOM 7451 C LYS C 187 72.864 53.487 123.124 1.00 96.21 C +ATOM 7452 O LYS C 187 72.533 54.649 122.921 1.00 96.57 O +ATOM 7453 CB LYS C 187 71.382 52.154 124.617 1.00 91.72 C +ATOM 7454 CG LYS C 187 70.225 51.161 124.769 1.00100.97 C +ATOM 7455 CD LYS C 187 69.699 51.197 126.209 1.00119.11 C +ATOM 7456 CE LYS C 187 68.456 50.316 126.359 1.00121.34 C +ATOM 7457 NZ LYS C 187 67.880 50.421 127.720 1.00123.53 N +ATOM 7458 H LYS C 187 72.367 50.285 123.173 1.00116.54 H +ATOM 7459 HA LYS C 187 70.962 52.702 122.583 1.00113.61 H +ATOM 7460 HB2 LYS C 187 72.227 51.819 125.217 1.00110.07 H +ATOM 7461 HB3 LYS C 187 71.059 53.118 125.006 1.00110.07 H +ATOM 7462 HG2 LYS C 187 69.425 51.444 124.088 1.00121.17 H +ATOM 7463 HG3 LYS C 187 70.561 50.155 124.526 1.00121.17 H +ATOM 7464 HD2 LYS C 187 70.479 50.855 126.888 1.00142.93 H +ATOM 7465 HD3 LYS C 187 69.435 52.222 126.466 1.00142.93 H +ATOM 7466 HE2 LYS C 187 67.717 50.625 125.624 1.00145.61 H +ATOM 7467 HE3 LYS C 187 68.733 49.287 126.141 1.00145.61 H +ATOM 7468 HZ1 LYS C 187 67.065 49.838 127.822 1.00148.24 H +ATOM 7469 HZ2 LYS C 187 68.543 50.147 128.424 1.00148.24 H +ATOM 7470 HZ3 LYS C 187 67.599 51.364 127.925 1.00148.24 H +ATOM 7471 N ASP C 188 74.133 53.140 123.299 1.00 98.89 N +ATOM 7472 CA ASP C 188 75.278 54.051 123.248 1.00 96.10 C +ATOM 7473 C ASP C 188 75.714 54.425 121.820 1.00 95.23 C +ATOM 7474 O ASP C 188 76.518 55.341 121.644 1.00 95.18 O +ATOM 7475 CB ASP C 188 76.453 53.402 123.996 1.00 99.09 C +ATOM 7476 CG ASP C 188 76.215 53.192 125.496 1.00111.32 C +ATOM 7477 OD1 ASP C 188 75.314 53.840 126.075 1.00108.69 O +ATOM 7478 OD2 ASP C 188 77.001 52.447 126.120 1.00111.81 O +ATOM 7479 H ASP C 188 74.311 52.185 123.568 1.00118.67 H +ATOM 7480 HA ASP C 188 75.017 54.980 123.756 1.00115.32 H +ATOM 7481 HB2 ASP C 188 76.680 52.445 123.526 1.00118.91 H +ATOM 7482 HB3 ASP C 188 77.330 54.040 123.888 1.00118.91 H +ATOM 7483 N SER C 189 75.236 53.721 120.792 1.00101.67 N +ATOM 7484 CA SER C 189 75.737 53.881 119.424 1.00 95.01 C +ATOM 7485 C SER C 189 75.414 55.264 118.841 1.00 86.30 C +ATOM 7486 O SER C 189 74.344 55.812 119.120 1.00 83.89 O +ATOM 7487 CB SER C 189 75.176 52.791 118.505 1.00 99.91 C +ATOM 7488 OG SER C 189 73.790 52.969 118.312 1.00 88.09 O +ATOM 7489 H SER C 189 74.546 53.007 120.973 1.00122.00 H +ATOM 7490 HA SER C 189 76.818 53.745 119.462 1.00114.02 H +ATOM 7491 HB2 SER C 189 75.678 52.844 117.540 1.00119.89 H +ATOM 7492 HB3 SER C 189 75.362 51.810 118.939 1.00119.89 H +ATOM 7493 HG SER C 189 73.348 52.697 119.119 1.00105.71 H +ATOM 7494 N PRO C 190 76.265 55.810 117.953 1.00 81.01 N +ATOM 7495 CA PRO C 190 75.938 57.024 117.213 1.00 78.10 C +ATOM 7496 C PRO C 190 74.633 56.879 116.425 1.00 79.49 C +ATOM 7497 O PRO C 190 73.865 57.827 116.328 1.00 78.90 O +ATOM 7498 CB PRO C 190 77.131 57.277 116.289 1.00 81.76 C +ATOM 7499 CG PRO C 190 78.291 56.595 117.007 1.00 81.94 C +ATOM 7500 CD PRO C 190 77.623 55.384 117.653 1.00 89.11 C +ATOM 7501 HA PRO C 190 75.846 57.852 117.915 1.00 93.72 H +ATOM 7502 HB2 PRO C 190 76.977 56.790 115.328 1.00 98.12 H +ATOM 7503 HB3 PRO C 190 77.315 58.341 116.149 1.00 98.12 H +ATOM 7504 HG2 PRO C 190 79.081 56.302 116.317 1.00 98.33 H +ATOM 7505 HG3 PRO C 190 78.681 57.254 117.781 1.00 98.33 H +ATOM 7506 HD2 PRO C 190 77.602 54.552 116.951 1.00106.94 H +ATOM 7507 HD3 PRO C 190 78.170 55.108 118.553 1.00106.94 H +ATOM 7508 N GLU C 191 74.341 55.672 115.933 1.00 72.31 N +ATOM 7509 CA GLU C 191 73.072 55.313 115.290 1.00 82.79 C +ATOM 7510 C GLU C 191 71.866 55.589 116.209 1.00 78.40 C +ATOM 7511 O GLU C 191 71.003 56.406 115.884 1.00 78.24 O +ATOM 7512 CB GLU C 191 73.181 53.833 114.867 1.00 76.82 C +ATOM 7513 CG GLU C 191 71.895 53.169 114.350 1.00 80.43 C +ATOM 7514 CD GLU C 191 72.005 51.632 114.394 1.00 75.60 C +ATOM 7515 OE1 GLU C 191 73.023 51.082 113.913 1.00 73.32 O +ATOM 7516 OE2 GLU C 191 71.091 50.982 114.943 1.00 70.47 O +ATOM 7517 H GLU C 191 75.027 54.942 116.053 1.00 86.77 H +ATOM 7518 HA GLU C 191 72.933 55.919 114.395 1.00 99.35 H +ATOM 7519 HB2 GLU C 191 73.951 53.744 114.103 1.00 92.19 H +ATOM 7520 HB3 GLU C 191 73.512 53.265 115.734 1.00 92.19 H +ATOM 7521 HG2 GLU C 191 71.054 53.479 114.967 1.00 96.52 H +ATOM 7522 HG3 GLU C 191 71.704 53.505 113.334 1.00 96.52 H +ATOM 7523 N TYR C 192 71.819 54.942 117.374 1.00 82.22 N +ATOM 7524 CA TYR C 192 70.720 55.088 118.324 1.00 88.27 C +ATOM 7525 C TYR C 192 70.639 56.516 118.860 1.00 82.66 C +ATOM 7526 O TYR C 192 69.552 57.083 118.971 1.00 77.89 O +ATOM 7527 CB TYR C 192 70.936 54.096 119.468 1.00 92.83 C +ATOM 7528 CG TYR C 192 69.840 54.062 120.518 1.00 91.70 C +ATOM 7529 CD1 TYR C 192 69.813 55.018 121.554 1.00 93.26 C +ATOM 7530 CD2 TYR C 192 68.873 53.039 120.491 1.00 96.88 C +ATOM 7531 CE1 TYR C 192 68.839 54.938 122.568 1.00 85.63 C +ATOM 7532 CE2 TYR C 192 67.892 52.963 121.499 1.00 90.58 C +ATOM 7533 CZ TYR C 192 67.874 53.910 122.541 1.00 85.16 C +ATOM 7534 OH TYR C 192 66.934 53.829 123.519 1.00 89.21 O +ATOM 7535 H TYR C 192 72.573 54.316 117.616 1.00 98.67 H +ATOM 7536 HA TYR C 192 69.781 54.851 117.825 1.00105.92 H +ATOM 7537 HB2 TYR C 192 71.034 53.100 119.037 1.00111.39 H +ATOM 7538 HB3 TYR C 192 71.877 54.334 119.962 1.00111.39 H +ATOM 7539 HD1 TYR C 192 70.559 55.797 121.594 1.00111.92 H +ATOM 7540 HD2 TYR C 192 68.890 52.297 119.707 1.00116.25 H +ATOM 7541 HE1 TYR C 192 68.835 55.661 123.369 1.00102.75 H +ATOM 7542 HE2 TYR C 192 67.155 52.175 121.484 1.00108.70 H +ATOM 7543 HH TYR C 192 67.027 54.539 124.154 1.00107.05 H +ATOM 7544 N ALA C 193 71.791 57.116 119.163 1.00 77.01 N +ATOM 7545 CA ALA C 193 71.873 58.493 119.604 1.00 77.31 C +ATOM 7546 C ALA C 193 71.246 59.420 118.563 1.00 76.12 C +ATOM 7547 O ALA C 193 70.321 60.155 118.881 1.00 75.48 O +ATOM 7548 CB ALA C 193 73.341 58.842 119.868 1.00 79.79 C +ATOM 7549 H ALA C 193 72.651 56.597 119.058 1.00 92.41 H +ATOM 7550 HA ALA C 193 71.313 58.597 120.533 1.00 92.77 H +ATOM 7551 HB1 ALA C 193 73.410 59.864 120.236 1.00 95.74 H +ATOM 7552 HB2 ALA C 193 73.753 58.169 120.619 1.00 95.74 H +ATOM 7553 HB3 ALA C 193 73.924 58.753 118.953 1.00 95.74 H +ATOM 7554 N LEU C 194 71.673 59.335 117.304 1.00 79.58 N +ATOM 7555 CA LEU C 194 71.161 60.190 116.240 1.00 80.42 C +ATOM 7556 C LEU C 194 69.652 60.026 116.050 1.00 78.98 C +ATOM 7557 O LEU C 194 68.922 61.014 116.071 1.00 75.62 O +ATOM 7558 CB LEU C 194 71.930 59.883 114.949 1.00 80.08 C +ATOM 7559 CG LEU C 194 71.453 60.709 113.748 1.00 75.70 C +ATOM 7560 CD1 LEU C 194 71.678 62.207 113.963 1.00 75.62 C +ATOM 7561 CD2 LEU C 194 72.223 60.265 112.512 1.00 70.60 C +ATOM 7562 H LEU C 194 72.405 58.679 117.074 1.00 95.50 H +ATOM 7563 HA LEU C 194 71.349 61.225 116.522 1.00 96.50 H +ATOM 7564 HB2 LEU C 194 72.989 60.080 115.113 1.00 96.09 H +ATOM 7565 HB3 LEU C 194 71.814 58.826 114.712 1.00 96.09 H +ATOM 7566 HG LEU C 194 70.394 60.529 113.567 1.00 90.84 H +ATOM 7567 HD11 LEU C 194 71.417 62.749 113.056 1.00 90.74 H +ATOM 7568 HD12 LEU C 194 71.034 62.573 114.761 1.00 90.74 H +ATOM 7569 HD13 LEU C 194 72.720 62.403 114.210 1.00 90.74 H +ATOM 7570 HD21 LEU C 194 71.885 60.839 111.652 1.00 84.72 H +ATOM 7571 HD22 LEU C 194 73.290 60.425 112.657 1.00 84.72 H +ATOM 7572 HD23 LEU C 194 72.038 59.209 112.323 1.00 84.72 H +ATOM 7573 N LEU C 195 69.179 58.785 115.922 1.00 77.63 N +ATOM 7574 CA LEU C 195 67.753 58.494 115.785 1.00 81.62 C +ATOM 7575 C LEU C 195 66.956 59.092 116.949 1.00 77.49 C +ATOM 7576 O LEU C 195 66.015 59.849 116.728 1.00 77.46 O +ATOM 7577 CB LEU C 195 67.553 56.970 115.711 1.00 76.54 C +ATOM 7578 CG LEU C 195 67.920 56.356 114.349 1.00 75.68 C +ATOM 7579 CD1 LEU C 195 68.131 54.850 114.480 1.00 73.67 C +ATOM 7580 CD2 LEU C 195 66.808 56.583 113.323 1.00 76.69 C +ATOM 7581 H LEU C 195 69.833 58.016 115.940 1.00 93.16 H +ATOM 7582 HA LEU C 195 67.381 58.954 114.870 1.00 97.94 H +ATOM 7583 HB2 LEU C 195 68.156 56.508 116.492 1.00 91.85 H +ATOM 7584 HB3 LEU C 195 66.511 56.743 115.931 1.00 91.85 H +ATOM 7585 HG LEU C 195 68.843 56.803 113.982 1.00 90.82 H +ATOM 7586 HD11 LEU C 195 68.396 54.428 113.514 1.00 88.40 H +ATOM 7587 HD12 LEU C 195 68.941 54.654 115.180 1.00 88.40 H +ATOM 7588 HD13 LEU C 195 67.223 54.374 114.839 1.00 88.40 H +ATOM 7589 HD21 LEU C 195 67.105 56.164 112.363 1.00 92.03 H +ATOM 7590 HD22 LEU C 195 65.886 56.102 113.650 1.00 92.03 H +ATOM 7591 HD23 LEU C 195 66.634 57.651 113.194 1.00 92.03 H +ATOM 7592 N SER C 196 67.363 58.813 118.188 1.00 85.46 N +ATOM 7593 CA SER C 196 66.681 59.334 119.372 1.00 78.52 C +ATOM 7594 C SER C 196 66.843 60.850 119.541 1.00 73.51 C +ATOM 7595 O SER C 196 66.033 61.473 120.223 1.00 74.39 O +ATOM 7596 CB SER C 196 67.139 58.574 120.618 1.00 76.10 C +ATOM 7597 OG SER C 196 68.524 58.718 120.819 1.00 77.78 O +ATOM 7598 H SER C 196 68.193 58.252 118.315 1.00102.55 H +ATOM 7599 HA SER C 196 65.615 59.140 119.255 1.00 94.22 H +ATOM 7600 HB2 SER C 196 66.602 58.953 121.487 1.00 91.32 H +ATOM 7601 HB3 SER C 196 66.911 57.516 120.498 1.00 91.32 H +ATOM 7602 HG SER C 196 68.957 58.236 120.113 1.00 93.34 H +ATOM 7603 N ASN C 197 67.829 61.481 118.900 1.00 72.30 N +ATOM 7604 CA ASN C 197 67.977 62.935 118.886 1.00 78.97 C +ATOM 7605 C ASN C 197 67.019 63.647 117.919 1.00 77.38 C +ATOM 7606 O ASN C 197 66.826 64.854 118.076 1.00 77.52 O +ATOM 7607 CB ASN C 197 69.430 63.318 118.545 1.00 81.18 C +ATOM 7608 CG ASN C 197 70.421 63.053 119.659 1.00 91.47 C +ATOM 7609 OD1 ASN C 197 70.090 62.986 120.831 1.00 94.85 O +ATOM 7610 ND2 ASN C 197 71.687 62.950 119.335 1.00 95.16 N +ATOM 7611 H ASN C 197 68.513 60.927 118.406 1.00 86.76 H +ATOM 7612 HA ASN C 197 67.748 63.322 119.878 1.00 94.76 H +ATOM 7613 HB2 ASN C 197 69.748 62.795 117.644 1.00 97.41 H +ATOM 7614 HB3 ASN C 197 69.479 64.386 118.334 1.00 97.41 H +ATOM 7615 HD21 ASN C 197 72.361 62.816 120.075 1.00114.19 H +ATOM 7616 HD22 ASN C 197 71.978 63.064 118.378 1.00114.19 H +ATOM 7617 N LEU C 198 66.457 62.974 116.908 1.00 72.97 N +ATOM 7618 CA LEU C 198 65.804 63.695 115.813 1.00 70.59 C +ATOM 7619 C LEU C 198 64.600 64.533 116.249 1.00 70.71 C +ATOM 7620 O LEU C 198 63.785 64.135 117.073 1.00 71.60 O +ATOM 7621 CB LEU C 198 65.382 62.766 114.668 1.00 70.75 C +ATOM 7622 CG LEU C 198 66.512 62.000 113.976 1.00 75.99 C +ATOM 7623 CD1 LEU C 198 65.943 61.324 112.732 1.00 72.24 C +ATOM 7624 CD2 LEU C 198 67.667 62.887 113.520 1.00 72.72 C +ATOM 7625 H LEU C 198 66.627 61.984 116.816 1.00 87.56 H +ATOM 7626 HA LEU C 198 66.535 64.400 115.418 1.00 84.71 H +ATOM 7627 HB2 LEU C 198 64.659 62.044 115.046 1.00 84.90 H +ATOM 7628 HB3 LEU C 198 64.881 63.373 113.915 1.00 84.90 H +ATOM 7629 HG LEU C 198 66.891 61.231 114.647 1.00 91.19 H +ATOM 7630 HD11 LEU C 198 66.719 60.727 112.259 1.00 86.69 H +ATOM 7631 HD12 LEU C 198 65.121 60.676 113.027 1.00 86.69 H +ATOM 7632 HD13 LEU C 198 65.578 62.068 112.026 1.00 86.69 H +ATOM 7633 HD21 LEU C 198 68.412 62.280 113.007 1.00 87.27 H +ATOM 7634 HD22 LEU C 198 67.309 63.658 112.839 1.00 87.27 H +ATOM 7635 HD23 LEU C 198 68.153 63.346 114.380 1.00 87.27 H +ATOM 7636 N ASP C 199 64.437 65.671 115.590 1.00 66.40 N +ATOM 7637 CA ASP C 199 63.277 66.556 115.660 1.00 76.07 C +ATOM 7638 C ASP C 199 61.970 65.837 115.280 1.00 73.03 C +ATOM 7639 O ASP C 199 60.907 66.129 115.822 1.00 77.87 O +ATOM 7640 CB ASP C 199 63.515 67.725 114.690 1.00 76.42 C +ATOM 7641 CG ASP C 199 64.808 68.506 114.961 1.00 83.27 C +ATOM 7642 OD1 ASP C 199 65.187 68.673 116.141 1.00 80.64 O +ATOM 7643 OD2 ASP C 199 65.411 68.998 113.982 1.00 72.60 O +ATOM 7644 H ASP C 199 65.160 65.913 114.929 1.00 79.68 H +ATOM 7645 HA ASP C 199 63.178 66.944 116.673 1.00 91.28 H +ATOM 7646 HB2 ASP C 199 63.543 67.334 113.674 1.00 91.70 H +ATOM 7647 HB3 ASP C 199 62.672 68.411 114.758 1.00 91.70 H +ATOM 7648 N THR C 200 62.047 64.871 114.366 1.00 73.42 N +ATOM 7649 CA THR C 200 60.928 64.015 113.960 1.00 73.74 C +ATOM 7650 C THR C 200 60.771 62.764 114.827 1.00 79.38 C +ATOM 7651 O THR C 200 59.757 62.080 114.699 1.00 84.29 O +ATOM 7652 CB THR C 200 61.075 63.610 112.489 1.00 73.59 C +ATOM 7653 OG1 THR C 200 62.372 63.142 112.209 1.00 72.77 O +ATOM 7654 CG2 THR C 200 60.803 64.782 111.554 1.00 70.79 C +ATOM 7655 H THR C 200 62.941 64.690 113.933 1.00 88.10 H +ATOM 7656 HA THR C 200 59.997 64.574 114.053 1.00 88.48 H +ATOM 7657 HB THR C 200 60.358 62.824 112.258 1.00 88.30 H +ATOM 7658 HG1 THR C 200 62.310 62.724 111.348 1.00 87.32 H +ATOM 7659 HG21 THR C 200 60.899 64.456 110.520 1.00 84.95 H +ATOM 7660 HG22 THR C 200 59.789 65.142 111.711 1.00 84.95 H +ATOM 7661 HG23 THR C 200 61.501 65.593 111.747 1.00 84.95 H +ATOM 7662 N PHE C 201 61.718 62.439 115.713 1.00 76.29 N +ATOM 7663 CA PHE C 201 61.590 61.291 116.616 1.00 77.01 C +ATOM 7664 C PHE C 201 60.577 61.554 117.740 1.00 79.31 C +ATOM 7665 O PHE C 201 60.440 62.671 118.237 1.00 78.97 O +ATOM 7666 CB PHE C 201 62.965 60.866 117.148 1.00 71.76 C +ATOM 7667 CG PHE C 201 62.933 59.840 118.260 1.00 79.36 C +ATOM 7668 CD1 PHE C 201 62.761 58.477 117.964 1.00 84.92 C +ATOM 7669 CD2 PHE C 201 63.078 60.251 119.596 1.00 82.56 C +ATOM 7670 CE1 PHE C 201 62.769 57.526 119.000 1.00 83.19 C +ATOM 7671 CE2 PHE C 201 63.098 59.299 120.629 1.00 78.25 C +ATOM 7672 CZ PHE C 201 62.962 57.935 120.328 1.00 82.02 C +ATOM 7673 H PHE C 201 62.484 63.078 115.870 1.00 91.55 H +ATOM 7674 HA PHE C 201 61.207 60.450 116.038 1.00 92.42 H +ATOM 7675 HB2 PHE C 201 63.537 60.456 116.317 1.00 86.11 H +ATOM 7676 HB3 PHE C 201 63.502 61.738 117.520 1.00 86.11 H +ATOM 7677 HD1 PHE C 201 62.645 58.156 116.940 1.00101.90 H +ATOM 7678 HD2 PHE C 201 63.202 61.297 119.831 1.00 99.07 H +ATOM 7679 HE1 PHE C 201 62.638 56.477 118.780 1.00 99.83 H +ATOM 7680 HE2 PHE C 201 63.232 59.616 121.652 1.00 93.90 H +ATOM 7681 HZ PHE C 201 62.990 57.203 121.120 1.00 98.42 H +ATOM 7682 N SER C 202 59.856 60.504 118.136 1.00 79.86 N +ATOM 7683 CA SER C 202 58.690 60.588 119.031 1.00 88.51 C +ATOM 7684 C SER C 202 58.633 59.469 120.088 1.00 97.02 C +ATOM 7685 O SER C 202 57.570 59.171 120.633 1.00 94.81 O +ATOM 7686 CB SER C 202 57.429 60.577 118.158 1.00 89.02 C +ATOM 7687 OG SER C 202 57.299 59.335 117.485 1.00 85.43 O +ATOM 7688 H SER C 202 60.015 59.634 117.650 1.00 95.83 H +ATOM 7689 HA SER C 202 58.716 61.531 119.576 1.00106.21 H +ATOM 7690 HB2 SER C 202 56.553 60.742 118.784 1.00106.82 H +ATOM 7691 HB3 SER C 202 57.486 61.383 117.427 1.00106.82 H +ATOM 7692 HG SER C 202 57.984 59.259 116.817 1.00102.52 H +ATOM 7693 N GLY C 203 59.746 58.759 120.308 1.00 91.60 N +ATOM 7694 CA GLY C 203 59.744 57.362 120.779 1.00 91.75 C +ATOM 7695 C GLY C 203 59.672 56.356 119.618 1.00 79.17 C +ATOM 7696 O GLY C 203 60.131 55.222 119.749 1.00 79.96 O +ATOM 7697 H GLY C 203 60.619 59.115 119.946 1.00109.92 H +ATOM 7698 HA2 GLY C 203 60.642 57.166 121.364 1.00110.10 H +ATOM 7699 HA3 GLY C 203 58.885 57.188 121.426 1.00110.10 H +ATOM 7700 N LYS C 204 59.160 56.805 118.463 1.00 83.64 N +ATOM 7701 CA LYS C 204 59.062 56.093 117.179 1.00 81.51 C +ATOM 7702 C LYS C 204 59.385 57.022 115.996 1.00 85.86 C +ATOM 7703 O LYS C 204 59.395 58.250 116.150 1.00 81.16 O +ATOM 7704 CB LYS C 204 57.656 55.468 117.059 1.00 79.79 C +ATOM 7705 CG LYS C 204 57.369 54.349 118.078 1.00 76.85 C +ATOM 7706 CD LYS C 204 58.250 53.100 117.913 1.00 73.39 C +ATOM 7707 CE LYS C 204 57.984 52.133 119.067 1.00 84.40 C +ATOM 7708 NZ LYS C 204 58.788 50.893 118.944 1.00 82.20 N +ATOM 7709 H LYS C 204 58.748 57.726 118.485 1.00100.36 H +ATOM 7710 HA LYS C 204 59.810 55.301 117.142 1.00 97.81 H +ATOM 7711 HB2 LYS C 204 56.914 56.255 117.194 1.00 95.75 H +ATOM 7712 HB3 LYS C 204 57.511 55.066 116.057 1.00 95.75 H +ATOM 7713 HG2 LYS C 204 57.483 54.743 119.087 1.00 92.22 H +ATOM 7714 HG3 LYS C 204 56.328 54.049 117.963 1.00 92.22 H +ATOM 7715 HD2 LYS C 204 58.008 52.615 116.968 1.00 88.07 H +ATOM 7716 HD3 LYS C 204 59.304 53.375 117.918 1.00 88.07 H +ATOM 7717 HE2 LYS C 204 58.219 52.639 120.002 1.00101.28 H +ATOM 7718 HE3 LYS C 204 56.924 51.889 119.082 1.00101.28 H +ATOM 7719 HZ1 LYS C 204 58.614 50.277 119.722 1.00 98.64 H +ATOM 7720 HZ2 LYS C 204 58.556 50.388 118.104 1.00 98.64 H +ATOM 7721 HZ3 LYS C 204 59.774 51.096 118.930 1.00 98.64 H +ATOM 7722 N LEU C 205 59.706 56.440 114.840 1.00 86.63 N +ATOM 7723 CA LEU C 205 60.181 57.109 113.626 1.00 71.31 C +ATOM 7724 C LEU C 205 60.129 56.167 112.401 1.00 68.91 C +ATOM 7725 O LEU C 205 60.886 55.198 112.305 1.00 67.12 O +ATOM 7726 CB LEU C 205 61.631 57.544 113.888 1.00 73.79 C +ATOM 7727 CG LEU C 205 62.229 58.395 112.764 1.00 73.93 C +ATOM 7728 CD1 LEU C 205 61.965 59.875 113.014 1.00 77.16 C +ATOM 7729 CD2 LEU C 205 63.735 58.185 112.724 1.00 70.51 C +ATOM 7730 H LEU C 205 59.663 55.431 114.820 1.00103.96 H +ATOM 7731 HA LEU C 205 59.567 57.988 113.433 1.00 85.57 H +ATOM 7732 HB2 LEU C 205 61.692 58.103 114.820 1.00 88.55 H +ATOM 7733 HB3 LEU C 205 62.233 56.645 114.012 1.00 88.55 H +ATOM 7734 HG LEU C 205 61.812 58.111 111.798 1.00 88.72 H +ATOM 7735 HD11 LEU C 205 62.273 60.451 112.143 1.00 92.60 H +ATOM 7736 HD12 LEU C 205 60.903 60.037 113.199 1.00 92.60 H +ATOM 7737 HD13 LEU C 205 62.529 60.221 113.879 1.00 92.60 H +ATOM 7738 HD21 LEU C 205 64.169 58.865 111.993 1.00 84.62 H +ATOM 7739 HD22 LEU C 205 64.170 58.376 113.705 1.00 84.62 H +ATOM 7740 HD23 LEU C 205 63.949 57.159 112.427 1.00 84.62 H +ATOM 7741 N SER C 206 59.272 56.479 111.427 1.00 67.45 N +ATOM 7742 CA SER C 206 59.261 55.791 110.127 1.00 73.85 C +ATOM 7743 C SER C 206 60.390 56.284 109.207 1.00 67.41 C +ATOM 7744 O SER C 206 61.008 57.320 109.456 1.00 59.77 O +ATOM 7745 CB SER C 206 57.902 55.975 109.445 1.00 74.31 C +ATOM 7746 OG SER C 206 57.756 57.303 108.989 1.00 73.05 O +ATOM 7747 H SER C 206 58.695 57.302 111.521 1.00 80.94 H +ATOM 7748 HA SER C 206 59.403 54.723 110.289 1.00 88.62 H +ATOM 7749 HB2 SER C 206 57.829 55.292 108.600 1.00 89.17 H +ATOM 7750 HB3 SER C 206 57.103 55.742 110.147 1.00 89.17 H +ATOM 7751 HG SER C 206 57.598 57.846 109.764 1.00 87.66 H +ATOM 7752 N ILE C 207 60.624 55.599 108.084 1.00 66.86 N +ATOM 7753 CA ILE C 207 61.550 56.077 107.044 1.00 59.97 C +ATOM 7754 C ILE C 207 61.153 57.474 106.574 1.00 58.69 C +ATOM 7755 O ILE C 207 62.011 58.336 106.418 1.00 54.57 O +ATOM 7756 CB ILE C 207 61.602 55.093 105.859 1.00 54.47 C +ATOM 7757 CG1 ILE C 207 62.235 53.758 106.287 1.00 58.87 C +ATOM 7758 CG2 ILE C 207 62.371 55.679 104.664 1.00 54.32 C +ATOM 7759 CD1 ILE C 207 61.939 52.608 105.320 1.00 61.46 C +ATOM 7760 H ILE C 207 60.066 54.781 107.890 1.00 80.23 H +ATOM 7761 HA ILE C 207 62.551 56.157 107.468 1.00 71.96 H +ATOM 7762 HB ILE C 207 60.579 54.900 105.539 1.00 65.37 H +ATOM 7763 HG12 ILE C 207 63.313 53.886 106.369 1.00 70.65 H +ATOM 7764 HG13 ILE C 207 61.852 53.462 107.262 1.00 70.65 H +ATOM 7765 HG21 ILE C 207 62.461 54.948 103.862 1.00 65.18 H +ATOM 7766 HG22 ILE C 207 61.845 56.541 104.255 1.00 65.18 H +ATOM 7767 HG23 ILE C 207 63.368 55.983 104.977 1.00 65.18 H +ATOM 7768 HD11 ILE C 207 62.375 51.691 105.710 1.00 73.75 H +ATOM 7769 HD12 ILE C 207 60.866 52.472 105.228 1.00 73.75 H +ATOM 7770 HD13 ILE C 207 62.368 52.799 104.342 1.00 73.75 H +ATOM 7771 N LYS C 208 59.856 57.738 106.401 1.00 61.59 N +ATOM 7772 CA LYS C 208 59.348 59.051 105.991 1.00 59.66 C +ATOM 7773 C LYS C 208 59.745 60.127 106.998 1.00 57.59 C +ATOM 7774 O LYS C 208 60.253 61.181 106.619 1.00 56.86 O +ATOM 7775 CB LYS C 208 57.827 58.948 105.804 1.00 58.14 C +ATOM 7776 CG LYS C 208 57.228 60.202 105.160 1.00 53.84 C +ATOM 7777 CD LYS C 208 55.738 59.987 104.866 1.00 55.86 C +ATOM 7778 CE LYS C 208 55.096 61.275 104.329 1.00 62.06 C +ATOM 7779 NZ LYS C 208 53.672 61.071 103.959 1.00 63.13 N +ATOM 7780 H LYS C 208 59.200 56.990 106.572 1.00 73.91 H +ATOM 7781 HA LYS C 208 59.810 59.313 105.040 1.00 71.60 H +ATOM 7782 HB2 LYS C 208 57.606 58.089 105.172 1.00 69.77 H +ATOM 7783 HB3 LYS C 208 57.351 58.779 106.769 1.00 69.77 H +ATOM 7784 HG2 LYS C 208 57.349 61.049 105.836 1.00 64.60 H +ATOM 7785 HG3 LYS C 208 57.751 60.417 104.228 1.00 64.60 H +ATOM 7786 HD2 LYS C 208 55.630 59.185 104.136 1.00 67.03 H +ATOM 7787 HD3 LYS C 208 55.230 59.696 105.785 1.00 67.03 H +ATOM 7788 HE2 LYS C 208 55.174 62.043 105.097 1.00 74.47 H +ATOM 7789 HE3 LYS C 208 55.660 61.616 103.462 1.00 74.47 H +ATOM 7790 HZ1 LYS C 208 53.253 61.936 103.648 1.00 75.76 H +ATOM 7791 HZ2 LYS C 208 53.595 60.402 103.208 1.00 75.76 H +ATOM 7792 HZ3 LYS C 208 53.131 60.741 104.745 1.00 75.76 H +ATOM 7793 N ASP C 209 59.599 59.826 108.282 1.00 59.90 N +ATOM 7794 CA ASP C 209 59.998 60.714 109.374 1.00 67.42 C +ATOM 7795 C ASP C 209 61.521 60.878 109.475 1.00 61.46 C +ATOM 7796 O ASP C 209 62.003 61.939 109.864 1.00 62.47 O +ATOM 7797 CB ASP C 209 59.444 60.180 110.703 1.00 77.12 C +ATOM 7798 CG ASP C 209 57.931 59.947 110.708 1.00 83.18 C +ATOM 7799 OD1 ASP C 209 57.171 60.877 110.364 1.00 77.19 O +ATOM 7800 OD2 ASP C 209 57.506 58.823 111.063 1.00 79.55 O +ATOM 7801 H ASP C 209 59.228 58.916 108.506 1.00 71.88 H +ATOM 7802 HA ASP C 209 59.573 61.701 109.199 1.00 80.91 H +ATOM 7803 HB2 ASP C 209 59.951 59.246 110.942 1.00 92.55 H +ATOM 7804 HB3 ASP C 209 59.680 60.902 111.483 1.00 92.55 H +ATOM 7805 N PHE C 210 62.293 59.854 109.119 1.00 56.62 N +ATOM 7806 CA PHE C 210 63.753 59.906 109.090 1.00 57.61 C +ATOM 7807 C PHE C 210 64.283 60.744 107.926 1.00 52.22 C +ATOM 7808 O PHE C 210 65.118 61.627 108.108 1.00 53.18 O +ATOM 7809 CB PHE C 210 64.275 58.474 109.006 1.00 53.36 C +ATOM 7810 CG PHE C 210 65.776 58.384 108.886 1.00 42.24 C +ATOM 7811 CD1 PHE C 210 66.587 58.618 110.006 1.00 40.12 C +ATOM 7812 CD2 PHE C 210 66.364 58.090 107.647 1.00 45.80 C +ATOM 7813 CE1 PHE C 210 67.984 58.552 109.894 1.00 46.69 C +ATOM 7814 CE2 PHE C 210 67.761 58.020 107.536 1.00 49.43 C +ATOM 7815 CZ PHE C 210 68.573 58.249 108.659 1.00 48.62 C +ATOM 7816 H PHE C 210 61.841 58.982 108.885 1.00 67.94 H +ATOM 7817 HA PHE C 210 64.120 60.361 110.010 1.00 69.13 H +ATOM 7818 HB2 PHE C 210 63.950 57.934 109.894 1.00 64.03 H +ATOM 7819 HB3 PHE C 210 63.831 57.973 108.146 1.00 64.03 H +ATOM 7820 HD1 PHE C 210 66.142 58.843 110.963 1.00 48.15 H +ATOM 7821 HD2 PHE C 210 65.749 57.910 106.779 1.00 54.96 H +ATOM 7822 HE1 PHE C 210 68.606 58.726 110.759 1.00 56.03 H +ATOM 7823 HE2 PHE C 210 68.214 57.781 106.586 1.00 59.31 H +ATOM 7824 HZ PHE C 210 69.647 58.189 108.569 1.00 58.34 H +ATOM 7825 N LEU C 211 63.767 60.519 106.720 1.00 51.72 N +ATOM 7826 CA LEU C 211 64.170 61.238 105.513 1.00 55.39 C +ATOM 7827 C LEU C 211 63.825 62.726 105.608 1.00 56.59 C +ATOM 7828 O LEU C 211 64.705 63.572 105.448 1.00 54.09 O +ATOM 7829 CB LEU C 211 63.499 60.592 104.292 1.00 58.87 C +ATOM 7830 CG LEU C 211 64.039 59.206 103.919 1.00 61.58 C +ATOM 7831 CD1 LEU C 211 63.197 58.667 102.767 1.00 60.33 C +ATOM 7832 CD2 LEU C 211 65.502 59.247 103.484 1.00 54.87 C +ATOM 7833 H LEU C 211 63.081 59.782 106.639 1.00 62.07 H +ATOM 7834 HA LEU C 211 65.251 61.168 105.396 1.00 66.47 H +ATOM 7835 HB2 LEU C 211 62.433 60.501 104.495 1.00 70.64 H +ATOM 7836 HB3 LEU C 211 63.622 61.249 103.432 1.00 70.64 H +ATOM 7837 HG LEU C 211 63.948 58.529 104.767 1.00 73.90 H +ATOM 7838 HD11 LEU C 211 63.550 57.668 102.515 1.00 72.40 H +ATOM 7839 HD12 LEU C 211 62.150 58.610 103.061 1.00 72.40 H +ATOM 7840 HD13 LEU C 211 63.293 59.306 101.890 1.00 72.40 H +ATOM 7841 HD21 LEU C 211 65.798 58.261 103.128 1.00 65.85 H +ATOM 7842 HD22 LEU C 211 65.638 59.968 102.680 1.00 65.85 H +ATOM 7843 HD23 LEU C 211 66.140 59.504 104.327 1.00 65.85 H +ATOM 7844 N SER C 212 62.584 63.041 105.972 1.00 57.98 N +ATOM 7845 CA SER C 212 62.164 64.418 106.267 1.00 61.36 C +ATOM 7846 C SER C 212 62.609 64.898 107.667 1.00 63.04 C +ATOM 7847 O SER C 212 62.206 65.969 108.119 1.00 65.53 O +ATOM 7848 CB SER C 212 60.657 64.582 106.035 1.00 60.11 C +ATOM 7849 OG SER C 212 59.898 63.823 106.957 1.00 63.18 O +ATOM 7850 H SER C 212 61.924 62.293 106.127 1.00 69.57 H +ATOM 7851 HA SER C 212 62.651 65.069 105.542 1.00 73.64 H +ATOM 7852 HB2 SER C 212 60.393 65.634 106.137 1.00 72.13 H +ATOM 7853 HB3 SER C 212 60.414 64.269 105.020 1.00 72.13 H +ATOM 7854 HG SER C 212 60.013 62.891 106.763 1.00 75.82 H +ATOM 7855 N GLY C 213 63.449 64.119 108.359 1.00 61.30 N +ATOM 7856 CA GLY C 213 63.983 64.424 109.682 1.00 59.88 C +ATOM 7857 C GLY C 213 65.183 65.369 109.697 1.00 63.69 C +ATOM 7858 O GLY C 213 65.764 65.712 108.669 1.00 62.10 O +ATOM 7859 H GLY C 213 63.744 63.251 107.939 1.00 73.56 H +ATOM 7860 HA2 GLY C 213 63.197 64.876 110.285 1.00 71.86 H +ATOM 7861 HA3 GLY C 213 64.275 63.494 110.166 1.00 71.86 H +ATOM 7862 N SER C 214 65.566 65.759 110.908 1.00 68.89 N +ATOM 7863 CA SER C 214 66.687 66.641 111.264 1.00 64.20 C +ATOM 7864 C SER C 214 66.972 66.486 112.770 1.00 64.36 C +ATOM 7865 O SER C 214 66.134 65.909 113.462 1.00 63.69 O +ATOM 7866 CB SER C 214 66.322 68.095 110.918 1.00 65.62 C +ATOM 7867 OG SER C 214 65.092 68.486 111.495 1.00 69.11 O +ATOM 7868 H SER C 214 65.024 65.429 111.692 1.00 82.67 H +ATOM 7869 HA SER C 214 67.574 66.353 110.701 1.00 77.04 H +ATOM 7870 HB2 SER C 214 67.102 68.773 111.263 1.00 78.74 H +ATOM 7871 HB3 SER C 214 66.244 68.188 109.835 1.00 78.74 H +ATOM 7872 HG SER C 214 65.242 68.663 112.426 1.00 82.93 H +ATOM 7873 N PRO C 215 68.107 66.958 113.312 1.00 60.48 N +ATOM 7874 CA PRO C 215 69.307 67.424 112.619 1.00 62.16 C +ATOM 7875 C PRO C 215 70.155 66.252 112.106 1.00 59.39 C +ATOM 7876 O PRO C 215 70.209 65.202 112.739 1.00 63.10 O +ATOM 7877 CB PRO C 215 70.073 68.212 113.682 1.00 65.04 C +ATOM 7878 CG PRO C 215 69.756 67.454 114.972 1.00 69.92 C +ATOM 7879 CD PRO C 215 68.327 66.966 114.752 1.00 66.19 C +ATOM 7880 HA PRO C 215 69.062 68.089 111.791 1.00 74.59 H +ATOM 7881 HB2 PRO C 215 71.144 68.245 113.486 1.00 78.05 H +ATOM 7882 HB3 PRO C 215 69.668 69.221 113.747 1.00 78.05 H +ATOM 7883 HG2 PRO C 215 70.425 66.601 115.078 1.00 83.91 H +ATOM 7884 HG3 PRO C 215 69.828 68.102 115.845 1.00 83.91 H +ATOM 7885 HD2 PRO C 215 68.204 65.970 115.172 1.00 79.43 H +ATOM 7886 HD3 PRO C 215 67.629 67.656 115.220 1.00 79.43 H +ATOM 7887 N LYS C 216 70.819 66.427 110.960 1.00 54.78 N +ATOM 7888 CA LYS C 216 71.718 65.434 110.342 1.00 49.65 C +ATOM 7889 C LYS C 216 72.624 66.089 109.297 1.00 51.50 C +ATOM 7890 O LYS C 216 72.327 67.185 108.824 1.00 51.60 O +ATOM 7891 CB LYS C 216 70.902 64.270 109.752 1.00 50.86 C +ATOM 7892 CG LYS C 216 69.868 64.710 108.712 1.00 51.96 C +ATOM 7893 CD LYS C 216 69.044 63.507 108.253 1.00 54.14 C +ATOM 7894 CE LYS C 216 68.040 63.986 107.202 1.00 55.33 C +ATOM 7895 NZ LYS C 216 67.204 62.872 106.690 1.00 55.17 N +ATOM 7896 H LYS C 216 70.759 67.328 110.512 1.00 65.73 H +ATOM 7897 HA LYS C 216 72.374 65.025 111.110 1.00 59.58 H +ATOM 7898 HB2 LYS C 216 71.576 63.550 109.289 1.00 61.03 H +ATOM 7899 HB3 LYS C 216 70.387 63.755 110.562 1.00 61.03 H +ATOM 7900 HG2 LYS C 216 69.197 65.452 109.142 1.00 62.35 H +ATOM 7901 HG3 LYS C 216 70.381 65.148 107.857 1.00 62.35 H +ATOM 7902 HD2 LYS C 216 69.709 62.759 107.823 1.00 64.97 H +ATOM 7903 HD3 LYS C 216 68.520 63.079 109.106 1.00 64.97 H +ATOM 7904 HE2 LYS C 216 67.420 64.759 107.653 1.00 66.39 H +ATOM 7905 HE3 LYS C 216 68.593 64.453 106.389 1.00 66.39 H +ATOM 7906 HZ1 LYS C 216 66.523 63.208 106.027 1.00 66.20 H +ATOM 7907 HZ2 LYS C 216 67.778 62.176 106.239 1.00 66.20 H +ATOM 7908 HZ3 LYS C 216 66.700 62.426 107.442 1.00 66.20 H +ATOM 7909 N GLN C 217 73.714 65.434 108.907 1.00 50.87 N +ATOM 7910 CA GLN C 217 74.752 66.054 108.068 1.00 53.64 C +ATOM 7911 C GLN C 217 74.384 66.153 106.577 1.00 51.31 C +ATOM 7912 O GLN C 217 75.037 66.886 105.835 1.00 51.55 O +ATOM 7913 CB GLN C 217 76.075 65.293 108.254 1.00 62.60 C +ATOM 7914 CG GLN C 217 76.562 65.345 109.710 1.00 70.12 C +ATOM 7915 CD GLN C 217 77.950 64.737 109.895 1.00 84.42 C +ATOM 7916 OE1 GLN C 217 78.964 65.418 109.920 1.00 81.52 O +ATOM 7917 NE2 GLN C 217 78.053 63.442 110.049 1.00 79.94 N +ATOM 7918 H GLN C 217 73.863 64.494 109.242 1.00 61.04 H +ATOM 7919 HA GLN C 217 74.910 67.076 108.412 1.00 64.37 H +ATOM 7920 HB2 GLN C 217 75.953 64.255 107.946 1.00 75.11 H +ATOM 7921 HB3 GLN C 217 76.836 65.751 107.624 1.00 75.11 H +ATOM 7922 HG2 GLN C 217 76.594 66.383 110.037 1.00 84.14 H +ATOM 7923 HG3 GLN C 217 75.863 64.809 110.350 1.00 84.14 H +ATOM 7924 HE21 GLN C 217 78.970 63.056 110.217 1.00 95.92 H +ATOM 7925 HE22 GLN C 217 77.254 62.843 109.898 1.00 95.92 H +ATOM 7926 N SER C 218 73.367 65.413 106.123 1.00 47.41 N +ATOM 7927 CA SER C 218 72.974 65.282 104.711 1.00 41.18 C +ATOM 7928 C SER C 218 72.046 66.379 104.178 1.00 34.50 C +ATOM 7929 O SER C 218 71.813 66.443 102.976 1.00 37.80 O +ATOM 7930 CB SER C 218 72.252 63.944 104.543 1.00 46.97 C +ATOM 7931 OG SER C 218 71.025 63.953 105.259 1.00 44.62 O +ATOM 7932 H SER C 218 72.899 64.812 106.784 1.00 56.89 H +ATOM 7933 HA SER C 218 73.868 65.270 104.088 1.00 49.42 H +ATOM 7934 HB2 SER C 218 72.067 63.753 103.487 1.00 56.37 H +ATOM 7935 HB3 SER C 218 72.886 63.145 104.927 1.00 56.37 H +ATOM 7936 HG SER C 218 70.407 64.537 104.816 1.00 53.54 H +ATOM 7937 N GLY C 219 71.426 67.170 105.052 1.00 34.78 N +ATOM 7938 CA GLY C 219 70.218 67.927 104.711 1.00 36.43 C +ATOM 7939 C GLY C 219 68.966 67.050 104.614 1.00 39.65 C +ATOM 7940 O GLY C 219 69.039 65.820 104.579 1.00 42.32 O +ATOM 7941 H GLY C 219 71.687 67.107 106.024 1.00 41.73 H +ATOM 7942 HA2 GLY C 219 70.045 68.682 105.476 1.00 43.72 H +ATOM 7943 HA3 GLY C 219 70.351 68.440 103.761 1.00 43.72 H +ATOM 7944 N GLU C 220 67.803 67.693 104.617 1.00 44.61 N +ATOM 7945 CA GLU C 220 66.471 67.072 104.598 1.00 52.20 C +ATOM 7946 C GLU C 220 65.983 66.741 103.174 1.00 49.81 C +ATOM 7947 O GLU C 220 66.346 67.414 102.210 1.00 47.28 O +ATOM 7948 CB GLU C 220 65.505 68.032 105.311 1.00 61.77 C +ATOM 7949 CG GLU C 220 64.116 67.441 105.572 1.00 67.70 C +ATOM 7950 CD GLU C 220 63.172 68.456 106.232 1.00 82.12 C +ATOM 7951 OE1 GLU C 220 63.591 69.173 107.167 1.00 81.37 O +ATOM 7952 OE2 GLU C 220 62.010 68.575 105.783 1.00 83.00 O +ATOM 7953 H GLU C 220 67.834 68.701 104.639 1.00 53.54 H +ATOM 7954 HA GLU C 220 66.507 66.145 105.169 1.00 62.64 H +ATOM 7955 HB2 GLU C 220 65.945 68.312 106.266 1.00 74.12 H +ATOM 7956 HB3 GLU C 220 65.394 68.932 104.708 1.00 74.12 H +ATOM 7957 HG2 GLU C 220 63.675 67.116 104.631 1.00 81.24 H +ATOM 7958 HG3 GLU C 220 64.234 66.570 106.215 1.00 81.24 H +ATOM 7959 N LEU C 221 65.140 65.718 103.020 1.00 55.74 N +ATOM 7960 CA LEU C 221 64.527 65.352 101.740 1.00 53.33 C +ATOM 7961 C LEU C 221 63.008 65.591 101.747 1.00 52.57 C +ATOM 7962 O LEU C 221 62.291 65.057 102.593 1.00 55.98 O +ATOM 7963 CB LEU C 221 64.896 63.893 101.442 1.00 60.36 C +ATOM 7964 CG LEU C 221 64.329 63.347 100.123 1.00 60.48 C +ATOM 7965 CD1 LEU C 221 64.923 64.055 98.908 1.00 59.78 C +ATOM 7966 CD2 LEU C 221 64.668 61.864 100.014 1.00 62.36 C +ATOM 7967 H LEU C 221 64.859 65.188 103.832 1.00 66.88 H +ATOM 7968 HA LEU C 221 64.951 65.967 100.947 1.00 63.99 H +ATOM 7969 HB2 LEU C 221 65.981 63.800 101.422 1.00 72.43 H +ATOM 7970 HB3 LEU C 221 64.523 63.276 102.259 1.00 72.43 H +ATOM 7971 HG LEU C 221 63.245 63.453 100.112 1.00 72.57 H +ATOM 7972 HD11 LEU C 221 64.551 63.584 98.000 1.00 71.74 H +ATOM 7973 HD12 LEU C 221 64.622 65.101 98.890 1.00 71.74 H +ATOM 7974 HD13 LEU C 221 66.008 63.989 98.925 1.00 71.74 H +ATOM 7975 HD21 LEU C 221 64.150 61.441 99.155 1.00 74.83 H +ATOM 7976 HD22 LEU C 221 65.742 61.726 99.904 1.00 74.83 H +ATOM 7977 HD23 LEU C 221 64.331 61.331 100.902 1.00 74.83 H +ATOM 7978 N LYS C 222 62.533 66.382 100.784 1.00 49.49 N +ATOM 7979 CA LYS C 222 61.123 66.750 100.575 1.00 58.32 C +ATOM 7980 C LYS C 222 60.377 65.782 99.644 1.00 57.31 C +ATOM 7981 O LYS C 222 60.989 64.934 99.001 1.00 57.00 O +ATOM 7982 CB LYS C 222 61.078 68.180 100.001 1.00 63.93 C +ATOM 7983 CG LYS C 222 61.614 69.271 100.937 1.00 69.43 C +ATOM 7984 CD LYS C 222 60.856 69.338 102.266 1.00 78.91 C +ATOM 7985 CE LYS C 222 61.246 70.605 103.027 1.00 86.25 C +ATOM 7986 NZ LYS C 222 60.666 70.608 104.390 1.00 91.82 N +ATOM 7987 H LYS C 222 63.203 66.769 100.135 1.00 59.39 H +ATOM 7988 HA LYS C 222 60.594 66.726 101.528 1.00 69.99 H +ATOM 7989 HB2 LYS C 222 61.650 68.212 99.075 1.00 76.71 H +ATOM 7990 HB3 LYS C 222 60.051 68.442 99.757 1.00 76.71 H +ATOM 7991 HG2 LYS C 222 62.671 69.102 101.134 1.00 83.32 H +ATOM 7992 HG3 LYS C 222 61.513 70.228 100.427 1.00 83.32 H +ATOM 7993 HD2 LYS C 222 59.784 69.352 102.078 1.00 94.69 H +ATOM 7994 HD3 LYS C 222 61.105 68.463 102.863 1.00 94.69 H +ATOM 7995 HE2 LYS C 222 62.332 70.663 103.085 1.00103.50 H +ATOM 7996 HE3 LYS C 222 60.895 71.468 102.464 1.00103.50 H +ATOM 7997 HZ1 LYS C 222 61.051 69.857 104.942 1.00110.19 H +ATOM 7998 HZ2 LYS C 222 60.874 71.472 104.870 1.00110.19 H +ATOM 7999 HZ3 LYS C 222 59.664 70.500 104.363 1.00110.19 H +ATOM 8000 N GLY C 223 59.055 65.951 99.531 1.00 52.68 N +ATOM 8001 CA GLY C 223 58.237 65.353 98.461 1.00 48.04 C +ATOM 8002 C GLY C 223 57.958 63.852 98.590 1.00 48.91 C +ATOM 8003 O GLY C 223 57.643 63.190 97.602 1.00 52.35 O +ATOM 8004 H GLY C 223 58.624 66.663 100.102 1.00 63.22 H +ATOM 8005 HA2 GLY C 223 57.275 65.863 98.438 1.00 57.65 H +ATOM 8006 HA3 GLY C 223 58.725 65.525 97.502 1.00 57.65 H +ATOM 8007 N LEU C 224 58.101 63.300 99.791 1.00 45.43 N +ATOM 8008 CA LEU C 224 57.921 61.877 100.080 1.00 48.10 C +ATOM 8009 C LEU C 224 56.442 61.459 99.963 1.00 51.01 C +ATOM 8010 O LEU C 224 55.555 62.248 100.295 1.00 52.75 O +ATOM 8011 CB LEU C 224 58.462 61.596 101.494 1.00 50.08 C +ATOM 8012 CG LEU C 224 59.899 62.079 101.772 1.00 50.95 C +ATOM 8013 CD1 LEU C 224 60.215 61.890 103.250 1.00 56.34 C +ATOM 8014 CD2 LEU C 224 60.937 61.303 100.968 1.00 52.22 C +ATOM 8015 H LEU C 224 58.320 63.918 100.558 1.00 54.52 H +ATOM 8016 HA LEU C 224 58.497 61.294 99.362 1.00 57.71 H +ATOM 8017 HB2 LEU C 224 57.796 62.084 102.205 1.00 60.10 H +ATOM 8018 HB3 LEU C 224 58.416 60.523 101.678 1.00 60.10 H +ATOM 8019 HG LEU C 224 59.991 63.141 101.548 1.00 61.14 H +ATOM 8020 HD11 LEU C 224 61.179 62.346 103.465 1.00 67.61 H +ATOM 8021 HD12 LEU C 224 59.455 62.381 103.856 1.00 67.61 H +ATOM 8022 HD13 LEU C 224 60.241 60.827 103.487 1.00 67.61 H +ATOM 8023 HD21 LEU C 224 61.936 61.631 101.252 1.00 62.67 H +ATOM 8024 HD22 LEU C 224 60.841 60.234 101.153 1.00 62.67 H +ATOM 8025 HD23 LEU C 224 60.798 61.499 99.906 1.00 62.67 H +ATOM 8026 N LYS C 225 56.166 60.215 99.539 1.00 54.62 N +ATOM 8027 CA LYS C 225 54.804 59.639 99.503 1.00 59.45 C +ATOM 8028 C LYS C 225 54.509 58.746 100.713 1.00 61.32 C +ATOM 8029 O LYS C 225 54.323 59.269 101.810 1.00 60.78 O +ATOM 8030 CB LYS C 225 54.481 59.005 98.137 1.00 60.34 C +ATOM 8031 CG LYS C 225 54.342 60.072 97.041 1.00 60.34 C +ATOM 8032 CD LYS C 225 53.801 59.468 95.740 1.00 60.34 C +ATOM 8033 CE LYS C 225 53.591 60.582 94.717 1.00 60.34 C +ATOM 8034 NZ LYS C 225 52.998 60.063 93.462 1.00 60.34 N +ATOM 8035 H LYS C 225 56.936 59.623 99.262 1.00 65.54 H +ATOM 8036 HA LYS C 225 54.087 60.452 99.620 1.00 60.34 H +ATOM 8037 HB2 LYS C 225 55.252 58.287 97.859 1.00 60.34 H +ATOM 8038 HB3 LYS C 225 53.528 58.483 98.210 1.00 60.34 H +ATOM 8039 HG2 LYS C 225 53.650 60.841 97.383 1.00 60.34 H +ATOM 8040 HG3 LYS C 225 55.312 60.530 96.853 1.00 60.34 H +ATOM 8041 HD2 LYS C 225 54.510 58.737 95.355 1.00 60.34 H +ATOM 8042 HD3 LYS C 225 52.851 58.976 95.938 1.00 60.34 H +ATOM 8043 HE2 LYS C 225 52.935 61.333 95.154 1.00 60.34 H +ATOM 8044 HE3 LYS C 225 54.550 61.051 94.510 1.00 60.34 H +ATOM 8045 HZ1 LYS C 225 53.595 59.373 93.037 1.00 60.34 H +ATOM 8046 HZ2 LYS C 225 52.105 59.633 93.634 1.00 60.34 H +ATOM 8047 HZ3 LYS C 225 52.855 60.800 92.791 1.00 60.34 H +ATOM 8048 N ASP C 226 54.423 57.427 100.545 1.00 57.59 N +ATOM 8049 CA ASP C 226 53.907 56.515 101.577 1.00 59.93 C +ATOM 8050 C ASP C 226 54.261 55.043 101.291 1.00 61.03 C +ATOM 8051 O ASP C 226 55.054 54.422 102.003 1.00 58.12 O +ATOM 8052 CB ASP C 226 52.382 56.708 101.723 1.00 61.11 C +ATOM 8053 CG ASP C 226 51.654 57.084 100.423 1.00 60.43 C +ATOM 8054 OD1 ASP C 226 51.776 56.349 99.424 1.00 54.39 O +ATOM 8055 OD2 ASP C 226 50.955 58.119 100.403 1.00 71.10 O +ATOM 8056 H ASP C 226 54.581 57.056 99.620 1.00 69.11 H +ATOM 8057 HA ASP C 226 54.368 56.761 102.533 1.00 71.91 H +ATOM 8058 HB2 ASP C 226 51.938 55.798 102.124 1.00 73.33 H +ATOM 8059 HB3 ASP C 226 52.215 57.496 102.457 1.00 73.33 H +ATOM 8060 N GLU C 227 53.717 54.510 100.201 1.00 58.87 N +ATOM 8061 CA GLU C 227 53.980 53.183 99.654 1.00 57.21 C +ATOM 8062 C GLU C 227 54.366 53.319 98.176 1.00 55.85 C +ATOM 8063 O GLU C 227 53.661 53.965 97.400 1.00 54.82 O +ATOM 8064 CB GLU C 227 52.737 52.301 99.852 1.00 55.42 C +ATOM 8065 CG GLU C 227 52.895 50.913 99.226 1.00 58.29 C +ATOM 8066 CD GLU C 227 51.672 50.019 99.466 1.00 69.78 C +ATOM 8067 OE1 GLU C 227 51.165 49.960 100.609 1.00 72.02 O +ATOM 8068 OE2 GLU C 227 51.233 49.340 98.512 1.00 67.84 O +ATOM 8069 H GLU C 227 53.066 55.084 99.685 1.00 70.64 H +ATOM 8070 HA GLU C 227 54.814 52.723 100.183 1.00 68.65 H +ATOM 8071 HB2 GLU C 227 52.552 52.201 100.921 1.00 66.51 H +ATOM 8072 HB3 GLU C 227 51.876 52.790 99.400 1.00 66.51 H +ATOM 8073 HG2 GLU C 227 53.060 51.018 98.158 1.00 69.94 H +ATOM 8074 HG3 GLU C 227 53.774 50.437 99.652 1.00 69.94 H +ATOM 8075 N TYR C 228 55.469 52.692 97.775 1.00 52.56 N +ATOM 8076 CA TYR C 228 55.947 52.684 96.396 1.00 47.70 C +ATOM 8077 C TYR C 228 55.624 51.316 95.777 1.00 45.00 C +ATOM 8078 O TYR C 228 56.192 50.310 96.207 1.00 47.01 O +ATOM 8079 CB TYR C 228 57.444 53.003 96.385 1.00 48.01 C +ATOM 8080 CG TYR C 228 57.737 54.425 96.827 1.00 48.69 C +ATOM 8081 CD1 TYR C 228 57.923 54.724 98.189 1.00 50.67 C +ATOM 8082 CD2 TYR C 228 57.750 55.463 95.877 1.00 47.86 C +ATOM 8083 CE1 TYR C 228 58.085 56.060 98.601 1.00 51.86 C +ATOM 8084 CE2 TYR C 228 57.914 56.800 96.286 1.00 46.80 C +ATOM 8085 CZ TYR C 228 58.069 57.103 97.653 1.00 47.22 C +ATOM 8086 OH TYR C 228 58.193 58.396 98.056 1.00 50.06 O +ATOM 8087 H TYR C 228 55.980 52.138 98.446 1.00 63.08 H +ATOM 8088 HA TYR C 228 55.460 53.477 95.830 1.00 57.24 H +ATOM 8089 HB2 TYR C 228 57.969 52.307 97.038 1.00 57.61 H +ATOM 8090 HB3 TYR C 228 57.827 52.861 95.375 1.00 57.61 H +ATOM 8091 HD1 TYR C 228 57.916 53.929 98.920 1.00 60.81 H +ATOM 8092 HD2 TYR C 228 57.605 55.238 94.832 1.00 57.44 H +ATOM 8093 HE1 TYR C 228 58.222 56.295 99.646 1.00 62.23 H +ATOM 8094 HE2 TYR C 228 57.902 57.592 95.553 1.00 56.16 H +ATOM 8095 HH TYR C 228 58.427 58.955 97.318 1.00 60.07 H +ATOM 8096 N PRO C 229 54.705 51.242 94.801 1.00 43.96 N +ATOM 8097 CA PRO C 229 54.197 49.978 94.286 1.00 45.60 C +ATOM 8098 C PRO C 229 55.023 49.490 93.104 1.00 47.10 C +ATOM 8099 O PRO C 229 55.449 50.286 92.271 1.00 50.50 O +ATOM 8100 CB PRO C 229 52.764 50.287 93.865 1.00 46.40 C +ATOM 8101 CG PRO C 229 52.867 51.721 93.351 1.00 44.36 C +ATOM 8102 CD PRO C 229 53.920 52.344 94.264 1.00 44.81 C +ATOM 8103 HA PRO C 229 54.188 49.215 95.065 1.00 54.73 H +ATOM 8104 HB2 PRO C 229 52.402 49.599 93.102 1.00 55.68 H +ATOM 8105 HB3 PRO C 229 52.115 50.261 94.740 1.00 55.68 H +ATOM 8106 HG2 PRO C 229 53.220 51.726 92.321 1.00 53.23 H +ATOM 8107 HG3 PRO C 229 51.915 52.245 93.430 1.00 53.23 H +ATOM 8108 HD2 PRO C 229 54.547 53.034 93.700 1.00 53.77 H +ATOM 8109 HD3 PRO C 229 53.415 52.866 95.075 1.00 53.77 H +ATOM 8110 N PHE C 230 55.186 48.176 92.959 1.00 51.84 N +ATOM 8111 CA PHE C 230 55.844 47.575 91.791 1.00 51.68 C +ATOM 8112 C PHE C 230 54.877 47.505 90.604 1.00 49.39 C +ATOM 8113 O PHE C 230 54.658 46.460 89.998 1.00 52.42 O +ATOM 8114 CB PHE C 230 56.481 46.231 92.181 1.00 58.70 C +ATOM 8115 CG PHE C 230 57.655 45.790 91.318 1.00 54.35 C +ATOM 8116 CD1 PHE C 230 58.966 46.152 91.683 1.00 50.83 C +ATOM 8117 CD2 PHE C 230 57.456 44.954 90.203 1.00 56.30 C +ATOM 8118 CE1 PHE C 230 60.063 45.667 90.950 1.00 52.81 C +ATOM 8119 CE2 PHE C 230 58.554 44.484 89.462 1.00 58.85 C +ATOM 8120 CZ PHE C 230 59.858 44.833 89.841 1.00 56.08 C +ATOM 8121 H PHE C 230 54.776 47.557 93.643 1.00 62.21 H +ATOM 8122 HA PHE C 230 56.657 48.232 91.485 1.00 62.02 H +ATOM 8123 HB2 PHE C 230 56.853 46.320 93.202 1.00 70.44 H +ATOM 8124 HB3 PHE C 230 55.720 45.451 92.195 1.00 70.44 H +ATOM 8125 HD1 PHE C 230 59.135 46.778 92.546 1.00 61.00 H +ATOM 8126 HD2 PHE C 230 56.459 44.645 89.928 1.00 67.56 H +ATOM 8127 HE1 PHE C 230 61.070 45.929 91.237 1.00 63.37 H +ATOM 8128 HE2 PHE C 230 58.396 43.833 88.616 1.00 70.62 H +ATOM 8129 HZ PHE C 230 60.701 44.458 89.283 1.00 67.29 H +ATOM 8130 N GLU C 231 54.218 48.622 90.311 1.00 54.45 N +ATOM 8131 CA GLU C 231 53.332 48.750 89.160 1.00 61.26 C +ATOM 8132 C GLU C 231 54.175 48.792 87.886 1.00 61.88 C +ATOM 8133 O GLU C 231 54.955 49.713 87.644 1.00 59.26 O +ATOM 8134 CB GLU C 231 52.397 49.963 89.307 1.00 63.72 C +ATOM 8135 CG GLU C 231 51.211 49.611 90.224 1.00 68.07 C +ATOM 8136 CD GLU C 231 50.440 50.834 90.750 1.00 81.81 C +ATOM 8137 OE1 GLU C 231 50.279 51.834 90.014 1.00 88.13 O +ATOM 8138 OE2 GLU C 231 49.956 50.782 91.901 1.00 81.94 O +ATOM 8139 H GLU C 231 54.468 49.454 90.822 1.00 65.34 H +ATOM 8140 HA GLU C 231 52.695 47.868 89.106 1.00 73.52 H +ATOM 8141 HB2 GLU C 231 52.956 50.802 89.719 1.00 76.46 H +ATOM 8142 HB3 GLU C 231 52.008 50.242 88.328 1.00 76.46 H +ATOM 8143 HG2 GLU C 231 50.529 48.965 89.672 1.00 81.68 H +ATOM 8144 HG3 GLU C 231 51.582 49.036 91.070 1.00 81.68 H +ATOM 8145 N LYS C 232 54.027 47.728 87.096 1.00 66.10 N +ATOM 8146 CA LYS C 232 54.769 47.458 85.868 1.00 65.59 C +ATOM 8147 C LYS C 232 54.572 48.599 84.866 1.00 76.45 C +ATOM 8148 O LYS C 232 53.452 49.081 84.706 1.00 79.33 O +ATOM 8149 CB LYS C 232 54.266 46.098 85.356 1.00 75.37 C +ATOM 8150 CG LYS C 232 55.112 45.506 84.233 1.00 86.41 C +ATOM 8151 CD LYS C 232 54.602 44.110 83.840 1.00 95.90 C +ATOM 8152 CE LYS C 232 55.172 43.622 82.502 1.00103.67 C +ATOM 8153 NZ LYS C 232 56.654 43.571 82.492 1.00 96.71 N +ATOM 8154 H LYS C 232 53.378 47.019 87.402 1.00 79.32 H +ATOM 8155 HA LYS C 232 55.831 47.382 86.101 1.00 78.71 H +ATOM 8156 HB2 LYS C 232 54.275 45.388 86.182 1.00 90.44 H +ATOM 8157 HB3 LYS C 232 53.239 46.205 85.011 1.00 90.44 H +ATOM 8158 HG2 LYS C 232 55.073 46.172 83.372 1.00103.70 H +ATOM 8159 HG3 LYS C 232 56.136 45.414 84.595 1.00103.70 H +ATOM 8160 HD2 LYS C 232 54.846 43.398 84.627 1.00115.08 H +ATOM 8161 HD3 LYS C 232 53.518 44.143 83.742 1.00115.08 H +ATOM 8162 HE2 LYS C 232 54.767 42.631 82.302 1.00124.41 H +ATOM 8163 HE3 LYS C 232 54.820 44.285 81.713 1.00124.41 H +ATOM 8164 HZ1 LYS C 232 56.992 43.225 81.607 1.00116.05 H +ATOM 8165 HZ2 LYS C 232 57.054 44.487 82.631 1.00116.05 H +ATOM 8166 HZ3 LYS C 232 57.000 42.962 83.217 1.00116.05 H +ATOM 8167 N ASP C 233 55.637 48.998 84.180 1.00 75.04 N +ATOM 8168 CA ASP C 233 55.755 50.231 83.379 1.00 75.38 C +ATOM 8169 C ASP C 233 55.708 51.545 84.180 1.00 74.44 C +ATOM 8170 O ASP C 233 54.879 51.755 85.065 1.00 78.93 O +ATOM 8171 CB ASP C 233 54.781 50.321 82.189 1.00 76.74 C +ATOM 8172 CG ASP C 233 54.720 49.105 81.264 1.00 81.25 C +ATOM 8173 OD1 ASP C 233 55.686 48.319 81.212 1.00 77.94 O +ATOM 8174 OD2 ASP C 233 53.709 48.991 80.531 1.00 82.74 O +ATOM 8175 H ASP C 233 56.484 48.477 84.350 1.00 90.04 H +ATOM 8176 HA ASP C 233 56.751 50.188 82.938 1.00 90.46 H +ATOM 8177 HB2 ASP C 233 53.780 50.528 82.566 1.00 92.09 H +ATOM 8178 HB3 ASP C 233 55.070 51.182 81.589 1.00 92.09 H +ATOM 8179 N ASN C 234 56.593 52.478 83.812 1.00 81.79 N +ATOM 8180 CA ASN C 234 56.990 53.647 84.618 1.00 79.63 C +ATOM 8181 C ASN C 234 57.593 53.245 85.998 1.00 67.29 C +ATOM 8182 O ASN C 234 57.607 54.033 86.942 1.00 66.70 O +ATOM 8183 CB ASN C 234 55.851 54.704 84.720 1.00 83.42 C +ATOM 8184 CG ASN C 234 54.946 54.877 83.507 1.00 73.14 C +ATOM 8185 OD1 ASN C 234 55.106 55.765 82.679 1.00 67.63 O +ATOM 8186 ND2 ASN C 234 53.934 54.051 83.392 1.00 70.87 N +ATOM 8187 H ASN C 234 57.230 52.207 83.078 1.00 98.14 H +ATOM 8188 HA ASN C 234 57.813 54.114 84.078 1.00 95.55 H +ATOM 8189 HB2 ASN C 234 55.211 54.447 85.563 1.00100.11 H +ATOM 8190 HB3 ASN C 234 56.294 55.673 84.946 1.00100.11 H +ATOM 8191 HD21 ASN C 234 53.293 54.167 82.622 1.00 85.04 H +ATOM 8192 HD22 ASN C 234 53.829 53.315 84.075 1.00 85.04 H +ATOM 8193 N ASN C 235 58.056 51.997 86.121 1.00 68.96 N +ATOM 8194 CA ASN C 235 58.110 51.204 87.354 1.00 63.83 C +ATOM 8195 C ASN C 235 58.902 51.881 88.509 1.00 49.50 C +ATOM 8196 O ASN C 235 60.136 51.882 88.503 1.00 53.90 O +ATOM 8197 CB ASN C 235 58.630 49.822 86.933 1.00 59.51 C +ATOM 8198 CG ASN C 235 58.359 48.734 87.948 1.00 62.01 C +ATOM 8199 OD1 ASN C 235 58.307 48.964 89.145 1.00 49.01 O +ATOM 8200 ND2 ASN C 235 58.201 47.519 87.479 1.00 56.45 N +ATOM 8201 H ASN C 235 58.167 51.482 85.260 1.00 82.76 H +ATOM 8202 HA ASN C 235 57.079 51.053 87.674 1.00 76.60 H +ATOM 8203 HB2 ASN C 235 58.125 49.535 86.012 1.00 71.42 H +ATOM 8204 HB3 ASN C 235 59.701 49.865 86.739 1.00 71.42 H +ATOM 8205 HD21 ASN C 235 58.071 46.768 88.140 1.00 67.74 H +ATOM 8206 HD22 ASN C 235 58.151 47.366 86.483 1.00 67.74 H +ATOM 8207 N PRO C 236 58.218 52.502 89.490 1.00 43.92 N +ATOM 8208 CA PRO C 236 58.772 53.611 90.266 1.00 45.02 C +ATOM 8209 C PRO C 236 59.636 53.212 91.460 1.00 41.94 C +ATOM 8210 O PRO C 236 60.305 54.062 92.041 1.00 44.83 O +ATOM 8211 CB PRO C 236 57.551 54.398 90.737 1.00 52.87 C +ATOM 8212 CG PRO C 236 56.503 53.310 90.919 1.00 54.59 C +ATOM 8213 CD PRO C 236 56.789 52.392 89.737 1.00 52.17 C +ATOM 8214 HA PRO C 236 59.374 54.249 89.619 1.00 54.03 H +ATOM 8215 HB2 PRO C 236 57.736 54.939 91.664 1.00 63.44 H +ATOM 8216 HB3 PRO C 236 57.233 55.083 89.953 1.00 63.44 H +ATOM 8217 HG2 PRO C 236 56.680 52.780 91.855 1.00 65.51 H +ATOM 8218 HG3 PRO C 236 55.491 53.711 90.887 1.00 65.51 H +ATOM 8219 HD2 PRO C 236 56.506 51.367 89.974 1.00 62.61 H +ATOM 8220 HD3 PRO C 236 56.235 52.744 88.867 1.00 62.61 H +ATOM 8221 N VAL C 237 59.649 51.944 91.858 1.00 39.49 N +ATOM 8222 CA VAL C 237 60.377 51.514 93.061 1.00 41.31 C +ATOM 8223 C VAL C 237 61.874 51.798 92.929 1.00 38.95 C +ATOM 8224 O VAL C 237 62.505 52.308 93.854 1.00 43.15 O +ATOM 8225 CB VAL C 237 60.111 50.031 93.365 1.00 45.09 C +ATOM 8226 CG1 VAL C 237 60.766 49.626 94.690 1.00 50.77 C +ATOM 8227 CG2 VAL C 237 58.614 49.727 93.471 1.00 50.96 C +ATOM 8228 H VAL C 237 59.079 51.276 91.359 1.00 47.39 H +ATOM 8229 HA VAL C 237 60.017 52.100 93.907 1.00 49.57 H +ATOM 8230 HB VAL C 237 60.520 49.422 92.560 1.00 54.10 H +ATOM 8231 HG11 VAL C 237 60.556 48.580 94.903 1.00 60.93 H +ATOM 8232 HG12 VAL C 237 61.847 49.756 94.653 1.00 60.93 H +ATOM 8233 HG13 VAL C 237 60.370 50.241 95.496 1.00 60.93 H +ATOM 8234 HG21 VAL C 237 58.464 48.693 93.777 1.00 61.16 H +ATOM 8235 HG22 VAL C 237 58.151 50.382 94.208 1.00 61.16 H +ATOM 8236 HG23 VAL C 237 58.129 49.868 92.506 1.00 61.16 H +ATOM 8237 N GLY C 238 62.441 51.584 91.744 1.00 39.71 N +ATOM 8238 CA GLY C 238 63.828 51.949 91.464 1.00 45.52 C +ATOM 8239 C GLY C 238 64.082 53.455 91.548 1.00 41.90 C +ATOM 8240 O GLY C 238 65.161 53.891 91.950 1.00 38.96 O +ATOM 8241 H GLY C 238 61.883 51.189 91.002 1.00 47.65 H +ATOM 8242 HA2 GLY C 238 64.488 51.446 92.169 1.00 54.62 H +ATOM 8243 HA3 GLY C 238 64.084 51.622 90.458 1.00 54.62 H +ATOM 8244 N ASN C 239 63.096 54.292 91.248 1.00 39.28 N +ATOM 8245 CA ASN C 239 63.260 55.734 91.360 1.00 37.68 C +ATOM 8246 C ASN C 239 63.309 56.190 92.810 1.00 38.18 C +ATOM 8247 O ASN C 239 64.121 57.049 93.148 1.00 37.60 O +ATOM 8248 CB ASN C 239 62.184 56.436 90.545 1.00 44.20 C +ATOM 8249 CG ASN C 239 62.475 56.170 89.091 1.00 50.78 C +ATOM 8250 OD1 ASN C 239 62.067 55.168 88.526 1.00 48.83 O +ATOM 8251 ND2 ASN C 239 63.300 56.993 88.497 1.00 59.88 N +ATOM 8252 H ASN C 239 62.199 53.925 90.965 1.00 47.14 H +ATOM 8253 HA ASN C 239 64.221 56.006 90.926 1.00 45.21 H +ATOM 8254 HB2 ASN C 239 61.189 56.074 90.800 1.00 53.04 H +ATOM 8255 HB3 ASN C 239 62.219 57.509 90.731 1.00 53.04 H +ATOM 8256 HD21 ASN C 239 63.650 56.738 87.585 1.00 71.86 H +ATOM 8257 HD22 ASN C 239 63.640 57.821 88.964 1.00 71.86 H +ATOM 8258 N PHE C 240 62.559 55.562 93.710 1.00 39.43 N +ATOM 8259 CA PHE C 240 62.753 55.816 95.135 1.00 40.70 C +ATOM 8260 C PHE C 240 64.160 55.421 95.574 1.00 37.16 C +ATOM 8261 O PHE C 240 64.866 56.236 96.162 1.00 38.65 O +ATOM 8262 CB PHE C 240 61.697 55.089 95.963 1.00 45.73 C +ATOM 8263 CG PHE C 240 61.884 55.378 97.432 1.00 37.00 C +ATOM 8264 CD1 PHE C 240 61.441 56.603 97.956 1.00 35.75 C +ATOM 8265 CD2 PHE C 240 62.583 54.475 98.246 1.00 33.50 C +ATOM 8266 CE1 PHE C 240 61.671 56.920 99.300 1.00 36.03 C +ATOM 8267 CE2 PHE C 240 62.799 54.784 99.594 1.00 38.36 C +ATOM 8268 CZ PHE C 240 62.345 56.004 100.117 1.00 39.65 C +ATOM 8269 H PHE C 240 61.886 54.874 93.406 1.00 47.31 H +ATOM 8270 HA PHE C 240 62.644 56.884 95.322 1.00 48.84 H +ATOM 8271 HB2 PHE C 240 60.707 55.424 95.657 1.00 54.87 H +ATOM 8272 HB3 PHE C 240 61.758 54.015 95.792 1.00 54.87 H +ATOM 8273 HD1 PHE C 240 60.927 57.309 97.322 1.00 42.90 H +ATOM 8274 HD2 PHE C 240 62.966 53.552 97.838 1.00 40.20 H +ATOM 8275 HE1 PHE C 240 61.327 57.860 99.704 1.00 43.24 H +ATOM 8276 HE2 PHE C 240 63.321 54.088 100.233 1.00 46.03 H +ATOM 8277 HZ PHE C 240 62.514 56.233 101.158 1.00 47.59 H +ATOM 8278 N ALA C 241 64.626 54.236 95.180 1.00 35.80 N +ATOM 8279 CA ALA C 241 65.990 53.794 95.461 1.00 35.09 C +ATOM 8280 C ALA C 241 67.017 54.802 94.943 1.00 34.51 C +ATOM 8281 O ALA C 241 67.959 55.182 95.634 1.00 37.76 O +ATOM 8282 CB ALA C 241 66.201 52.427 94.810 1.00 43.02 C +ATOM 8283 H ALA C 241 63.997 53.604 94.706 1.00 42.96 H +ATOM 8284 HA ALA C 241 66.119 53.700 96.539 1.00 42.11 H +ATOM 8285 HB1 ALA C 241 67.131 51.991 95.171 1.00 51.63 H +ATOM 8286 HB2 ALA C 241 65.372 51.763 95.048 1.00 51.63 H +ATOM 8287 HB3 ALA C 241 66.265 52.517 93.727 1.00 51.63 H +ATOM 8288 N THR C 242 66.787 55.312 93.741 1.00 33.68 N +ATOM 8289 CA THR C 242 67.623 56.340 93.126 1.00 36.91 C +ATOM 8290 C THR C 242 67.561 57.637 93.922 1.00 37.50 C +ATOM 8291 O THR C 242 68.577 58.275 94.141 1.00 37.17 O +ATOM 8292 CB THR C 242 67.194 56.579 91.678 1.00 40.07 C +ATOM 8293 OG1 THR C 242 67.251 55.370 90.961 1.00 38.89 O +ATOM 8294 CG2 THR C 242 68.108 57.575 90.969 1.00 49.01 C +ATOM 8295 H THR C 242 66.012 54.933 93.217 1.00 40.42 H +ATOM 8296 HA THR C 242 68.659 56.001 93.116 1.00 44.30 H +ATOM 8297 HB THR C 242 66.173 56.959 91.653 1.00 48.08 H +ATOM 8298 HG1 THR C 242 66.551 54.795 91.275 1.00 46.67 H +ATOM 8299 HG21 THR C 242 67.840 57.632 89.915 1.00 58.81 H +ATOM 8300 HG22 THR C 242 67.995 58.567 91.403 1.00 58.81 H +ATOM 8301 HG23 THR C 242 69.147 57.263 91.056 1.00 58.81 H +ATOM 8302 N THR C 243 66.403 58.012 94.444 1.00 35.93 N +ATOM 8303 CA THR C 243 66.250 59.237 95.232 1.00 34.93 C +ATOM 8304 C THR C 243 67.020 59.152 96.544 1.00 36.49 C +ATOM 8305 O THR C 243 67.778 60.054 96.878 1.00 38.19 O +ATOM 8306 CB THR C 243 64.771 59.517 95.493 1.00 37.96 C +ATOM 8307 OG1 THR C 243 64.080 59.573 94.269 1.00 37.07 O +ATOM 8308 CG2 THR C 243 64.574 60.864 96.179 1.00 44.54 C +ATOM 8309 H THR C 243 65.595 57.428 94.293 1.00 43.12 H +ATOM 8310 HA THR C 243 66.659 60.074 94.667 1.00 41.92 H +ATOM 8311 HB THR C 243 64.343 58.730 96.113 1.00 45.55 H +ATOM 8312 HG1 THR C 243 64.088 58.700 93.874 1.00 44.49 H +ATOM 8313 HG21 THR C 243 63.513 61.041 96.342 1.00 53.45 H +ATOM 8314 HG22 THR C 243 65.079 60.872 97.143 1.00 53.45 H +ATOM 8315 HG23 THR C 243 64.981 61.663 95.562 1.00 53.45 H +ATOM 8316 N VAL C 244 66.920 58.031 97.259 1.00 37.43 N +ATOM 8317 CA VAL C 244 67.749 57.772 98.446 1.00 36.05 C +ATOM 8318 C VAL C 244 69.228 57.768 98.058 1.00 38.29 C +ATOM 8319 O VAL C 244 70.069 58.335 98.756 1.00 41.28 O +ATOM 8320 CB VAL C 244 67.332 56.445 99.101 1.00 38.89 C +ATOM 8321 CG1 VAL C 244 68.231 56.068 100.274 1.00 41.89 C +ATOM 8322 CG2 VAL C 244 65.900 56.525 99.630 1.00 38.20 C +ATOM 8323 H VAL C 244 66.267 57.322 96.960 1.00 44.92 H +ATOM 8324 HA VAL C 244 67.601 58.572 99.170 1.00 43.26 H +ATOM 8325 HB VAL C 244 67.384 55.649 98.360 1.00 46.67 H +ATOM 8326 HG11 VAL C 244 67.864 55.153 100.738 1.00 50.27 H +ATOM 8327 HG12 VAL C 244 69.249 55.891 99.934 1.00 50.27 H +ATOM 8328 HG13 VAL C 244 68.227 56.870 101.010 1.00 50.27 H +ATOM 8329 HG21 VAL C 244 65.626 55.581 100.098 1.00 45.83 H +ATOM 8330 HG22 VAL C 244 65.814 57.324 100.363 1.00 45.83 H +ATOM 8331 HG23 VAL C 244 65.198 56.711 98.820 1.00 45.83 H +ATOM 8332 N SER C 245 69.559 57.207 96.896 1.00 39.32 N +ATOM 8333 CA SER C 245 70.916 57.271 96.350 1.00 42.87 C +ATOM 8334 C SER C 245 71.349 58.715 96.117 1.00 43.12 C +ATOM 8335 O SER C 245 72.491 59.062 96.394 1.00 44.92 O +ATOM 8336 CB SER C 245 71.056 56.464 95.058 1.00 41.94 C +ATOM 8337 OG SER C 245 70.632 55.131 95.253 1.00 43.39 O +ATOM 8338 H SER C 245 68.836 56.749 96.361 1.00 47.19 H +ATOM 8339 HA SER C 245 71.601 56.833 97.076 1.00 51.44 H +ATOM 8340 HB2 SER C 245 70.489 56.918 94.248 1.00 50.33 H +ATOM 8341 HB3 SER C 245 72.106 56.459 94.767 1.00 50.33 H +ATOM 8342 HG SER C 245 69.689 55.118 95.426 1.00 52.07 H +ATOM 8343 N ASP C 246 70.441 59.598 95.720 1.00 37.90 N +ATOM 8344 CA ASP C 246 70.749 61.002 95.479 1.00 46.46 C +ATOM 8345 C ASP C 246 71.241 61.702 96.755 1.00 46.18 C +ATOM 8346 O ASP C 246 72.283 62.339 96.716 1.00 46.69 O +ATOM 8347 CB ASP C 246 69.531 61.719 94.867 1.00 47.69 C +ATOM 8348 CG ASP C 246 69.928 62.812 93.866 1.00 52.97 C +ATOM 8349 OD1 ASP C 246 70.825 62.578 93.036 1.00 51.07 O +ATOM 8350 OD2 ASP C 246 69.343 63.919 93.894 1.00 47.74 O +ATOM 8351 H ASP C 246 69.520 59.267 95.474 1.00 45.48 H +ATOM 8352 HA ASP C 246 71.570 61.027 94.763 1.00 55.75 H +ATOM 8353 HB2 ASP C 246 68.922 60.993 94.331 1.00 57.23 H +ATOM 8354 HB3 ASP C 246 68.918 62.143 95.661 1.00 57.23 H +ATOM 8355 N ARG C 247 70.592 61.518 97.914 1.00 44.86 N +ATOM 8356 CA ARG C 247 71.137 62.015 99.201 1.00 39.84 C +ATOM 8357 C ARG C 247 72.333 61.205 99.699 1.00 40.27 C +ATOM 8358 O ARG C 247 73.161 61.722 100.439 1.00 44.81 O +ATOM 8359 CB ARG C 247 70.042 62.095 100.280 1.00 44.57 C +ATOM 8360 CG ARG C 247 69.162 63.355 100.202 1.00 44.96 C +ATOM 8361 CD ARG C 247 69.959 64.634 100.482 1.00 39.33 C +ATOM 8362 NE ARG C 247 69.093 65.814 100.673 1.00 46.63 N +ATOM 8363 CZ ARG C 247 69.445 67.079 100.512 1.00 57.26 C +ATOM 8364 NH1 ARG C 247 68.598 68.040 100.706 1.00 55.43 N +ATOM 8365 NH2 ARG C 247 70.638 67.430 100.151 1.00 62.78 N +ATOM 8366 H ARG C 247 69.730 60.995 97.897 1.00 53.83 H +ATOM 8367 HA ARG C 247 71.541 63.014 99.039 1.00 47.81 H +ATOM 8368 HB2 ARG C 247 69.408 61.211 100.216 1.00 53.49 H +ATOM 8369 HB3 ARG C 247 70.509 62.080 101.264 1.00 53.49 H +ATOM 8370 HG2 ARG C 247 68.698 63.420 99.220 1.00 53.95 H +ATOM 8371 HG3 ARG C 247 68.377 63.259 100.950 1.00 53.95 H +ATOM 8372 HD2 ARG C 247 70.553 64.488 101.381 1.00 47.20 H +ATOM 8373 HD3 ARG C 247 70.630 64.813 99.645 1.00 47.20 H +ATOM 8374 HE ARG C 247 68.138 65.655 100.951 1.00 55.95 H +ATOM 8375 HH11 ARG C 247 67.679 67.846 101.075 1.00 66.51 H +ATOM 8376 HH12 ARG C 247 68.876 68.995 100.547 1.00 66.51 H +ATOM 8377 HH21 ARG C 247 71.358 66.728 100.083 1.00 75.33 H +ATOM 8378 HH22 ARG C 247 70.865 68.406 100.038 1.00 75.33 H +ATOM 8379 N SER C 248 72.503 59.974 99.236 1.00 39.27 N +ATOM 8380 CA SER C 248 73.722 59.211 99.513 1.00 45.88 C +ATOM 8381 C SER C 248 74.945 59.787 98.795 1.00 46.60 C +ATOM 8382 O SER C 248 76.042 59.741 99.343 1.00 51.17 O +ATOM 8383 CB SER C 248 73.554 57.736 99.152 1.00 48.05 C +ATOM 8384 OG SER C 248 72.404 57.200 99.781 1.00 47.83 O +ATOM 8385 H SER C 248 71.803 59.600 98.613 1.00 47.12 H +ATOM 8386 HA SER C 248 73.924 59.259 100.582 1.00 55.06 H +ATOM 8387 HB2 SER C 248 73.486 57.612 98.072 1.00 57.66 H +ATOM 8388 HB3 SER C 248 74.431 57.188 99.495 1.00 57.66 H +ATOM 8389 HG SER C 248 71.623 57.685 99.506 1.00 57.40 H +ATOM 8390 N ARG C 249 74.794 60.395 97.613 1.00 43.57 N +ATOM 8391 CA ARG C 249 75.930 60.986 96.890 1.00 45.06 C +ATOM 8392 C ARG C 249 76.656 62.066 97.711 1.00 48.90 C +ATOM 8393 O ARG C 249 77.845 61.882 97.955 1.00 54.52 O +ATOM 8394 CB ARG C 249 75.519 61.461 95.489 1.00 44.10 C +ATOM 8395 CG ARG C 249 75.281 60.287 94.530 1.00 48.26 C +ATOM 8396 CD ARG C 249 75.034 60.775 93.098 1.00 43.42 C +ATOM 8397 NE ARG C 249 76.261 61.318 92.485 1.00 32.99 N +ATOM 8398 CZ ARG C 249 76.370 61.919 91.318 1.00 32.97 C +ATOM 8399 NH1 ARG C 249 77.533 62.300 90.883 1.00 43.15 N +ATOM 8400 NH2 ARG C 249 75.343 62.149 90.556 1.00 29.56 N +ATOM 8401 H ARG C 249 73.882 60.393 97.181 1.00 52.29 H +ATOM 8402 HA ARG C 249 76.675 60.203 96.749 1.00 54.07 H +ATOM 8403 HB2 ARG C 249 74.606 62.054 95.530 1.00 52.93 H +ATOM 8404 HB3 ARG C 249 76.319 62.084 95.091 1.00 52.93 H +ATOM 8405 HG2 ARG C 249 76.141 59.619 94.538 1.00 57.91 H +ATOM 8406 HG3 ARG C 249 74.409 59.725 94.861 1.00 57.91 H +ATOM 8407 HD2 ARG C 249 74.686 59.930 92.505 1.00 52.10 H +ATOM 8408 HD3 ARG C 249 74.251 61.532 93.113 1.00 52.10 H +ATOM 8409 HE ARG C 249 77.126 61.176 92.983 1.00 39.58 H +ATOM 8410 HH11 ARG C 249 78.358 62.133 91.438 1.00 51.78 H +ATOM 8411 HH12 ARG C 249 77.614 62.758 89.988 1.00 51.78 H +ATOM 8412 HH21 ARG C 249 74.436 61.820 90.849 1.00 35.47 H +ATOM 8413 HH22 ARG C 249 75.471 62.562 89.645 1.00 35.47 H +ATOM 8414 N PRO C 250 75.988 63.092 98.274 1.00 52.74 N +ATOM 8415 CA PRO C 250 76.611 64.029 99.204 1.00 51.09 C +ATOM 8416 C PRO C 250 77.328 63.358 100.363 1.00 52.14 C +ATOM 8417 O PRO C 250 78.390 63.820 100.758 1.00 60.13 O +ATOM 8418 CB PRO C 250 75.479 64.916 99.719 1.00 50.19 C +ATOM 8419 CG PRO C 250 74.536 64.961 98.526 1.00 51.16 C +ATOM 8420 CD PRO C 250 74.657 63.559 97.945 1.00 47.11 C +ATOM 8421 HA PRO C 250 77.324 64.647 98.658 1.00 61.30 H +ATOM 8422 HB2 PRO C 250 74.975 64.444 100.561 1.00 60.23 H +ATOM 8423 HB3 PRO C 250 75.834 65.908 99.995 1.00 60.23 H +ATOM 8424 HG2 PRO C 250 73.514 65.189 98.825 1.00 61.40 H +ATOM 8425 HG3 PRO C 250 74.895 65.689 97.800 1.00 61.40 H +ATOM 8426 HD2 PRO C 250 73.923 62.904 98.413 1.00 56.54 H +ATOM 8427 HD3 PRO C 250 74.503 63.619 96.869 1.00 56.54 H +ATOM 8428 N LEU C 251 76.808 62.247 100.888 1.00 53.80 N +ATOM 8429 CA LEU C 251 77.508 61.512 101.936 1.00 57.97 C +ATOM 8430 C LEU C 251 78.799 60.900 101.414 1.00 58.94 C +ATOM 8431 O LEU C 251 79.820 61.075 102.062 1.00 66.55 O +ATOM 8432 CB LEU C 251 76.611 60.454 102.582 1.00 57.65 C +ATOM 8433 CG LEU C 251 75.435 61.047 103.364 1.00 58.87 C +ATOM 8434 CD1 LEU C 251 74.500 59.931 103.799 1.00 57.11 C +ATOM 8435 CD2 LEU C 251 75.891 61.761 104.634 1.00 60.97 C +ATOM 8436 H LEU C 251 75.944 61.880 100.519 1.00 64.56 H +ATOM 8437 HA LEU C 251 77.811 62.221 102.706 1.00 69.56 H +ATOM 8438 HB2 LEU C 251 76.230 59.789 101.809 1.00 69.18 H +ATOM 8439 HB3 LEU C 251 77.216 59.862 103.268 1.00 69.18 H +ATOM 8440 HG LEU C 251 74.881 61.742 102.736 1.00 70.64 H +ATOM 8441 HD11 LEU C 251 73.622 60.385 104.255 1.00 68.53 H +ATOM 8442 HD12 LEU C 251 74.175 59.350 102.939 1.00 68.53 H +ATOM 8443 HD13 LEU C 251 74.989 59.279 104.520 1.00 68.53 H +ATOM 8444 HD21 LEU C 251 75.026 62.112 105.194 1.00 73.16 H +ATOM 8445 HD22 LEU C 251 76.455 61.072 105.260 1.00 73.16 H +ATOM 8446 HD23 LEU C 251 76.506 62.624 104.386 1.00 73.16 H +ATOM 8447 N ASN C 252 78.811 60.274 100.240 1.00 52.22 N +ATOM 8448 CA ASN C 252 80.074 59.849 99.640 1.00 56.71 C +ATOM 8449 C ASN C 252 81.013 61.041 99.434 1.00 60.54 C +ATOM 8450 O ASN C 252 82.192 60.940 99.741 1.00 66.65 O +ATOM 8451 CB ASN C 252 79.822 59.102 98.322 1.00 56.10 C +ATOM 8452 CG ASN C 252 79.552 57.625 98.520 1.00 61.88 C +ATOM 8453 OD1 ASN C 252 79.356 57.128 99.617 1.00 62.80 O +ATOM 8454 ND2 ASN C 252 79.571 56.857 97.459 1.00 64.29 N +ATOM 8455 H ASN C 252 77.950 60.172 99.724 1.00 62.66 H +ATOM 8456 HA ASN C 252 80.585 59.179 100.330 1.00 68.05 H +ATOM 8457 HB2 ASN C 252 78.993 59.547 97.774 1.00 67.31 H +ATOM 8458 HB3 ASN C 252 80.711 59.181 97.700 1.00 67.31 H +ATOM 8459 HD21 ASN C 252 79.418 55.868 97.579 1.00 77.15 H +ATOM 8460 HD22 ASN C 252 79.753 57.250 96.548 1.00 77.15 H +ATOM 8461 N ASP C 253 80.507 62.188 98.988 1.00 65.19 N +ATOM 8462 CA ASP C 253 81.331 63.376 98.751 1.00 65.77 C +ATOM 8463 C ASP C 253 81.976 63.887 100.047 1.00 64.52 C +ATOM 8464 O ASP C 253 83.192 64.064 100.130 1.00 59.86 O +ATOM 8465 CB ASP C 253 80.494 64.480 98.083 1.00 64.71 C +ATOM 8466 CG ASP C 253 79.796 64.065 96.779 1.00 64.46 C +ATOM 8467 OD1 ASP C 253 80.238 63.113 96.100 1.00 64.39 O +ATOM 8468 OD2 ASP C 253 78.829 64.755 96.397 1.00 56.68 O +ATOM 8469 H ASP C 253 79.535 62.205 98.717 1.00 78.23 H +ATOM 8470 HA ASP C 253 82.138 63.108 98.069 1.00 78.92 H +ATOM 8471 HB2 ASP C 253 79.744 64.835 98.788 1.00 77.65 H +ATOM 8472 HB3 ASP C 253 81.155 65.318 97.867 1.00 77.65 H +ATOM 8473 N LYS C 254 81.162 64.061 101.090 1.00 63.74 N +ATOM 8474 CA LYS C 254 81.619 64.467 102.420 1.00 80.10 C +ATOM 8475 C LYS C 254 82.558 63.432 103.010 1.00 72.83 C +ATOM 8476 O LYS C 254 83.604 63.802 103.527 1.00 74.26 O +ATOM 8477 CB LYS C 254 80.423 64.727 103.352 1.00 74.06 C +ATOM 8478 CG LYS C 254 79.751 66.064 103.009 1.00 75.43 C +ATOM 8479 CD LYS C 254 78.704 66.474 104.052 1.00 70.49 C +ATOM 8480 CE LYS C 254 78.175 67.867 103.691 1.00 72.17 C +ATOM 8481 NZ LYS C 254 77.321 68.448 104.760 1.00 73.22 N +ATOM 8482 H LYS C 254 80.177 63.897 100.947 1.00 76.49 H +ATOM 8483 HA LYS C 254 82.202 65.382 102.330 1.00 96.12 H +ATOM 8484 HB2 LYS C 254 79.702 63.913 103.284 1.00 88.88 H +ATOM 8485 HB3 LYS C 254 80.787 64.780 104.377 1.00 88.88 H +ATOM 8486 HG2 LYS C 254 80.518 66.837 102.972 1.00 90.52 H +ATOM 8487 HG3 LYS C 254 79.284 65.999 102.028 1.00 90.52 H +ATOM 8488 HD2 LYS C 254 77.890 65.750 104.058 1.00 84.58 H +ATOM 8489 HD3 LYS C 254 79.171 66.502 105.035 1.00 84.58 H +ATOM 8490 HE2 LYS C 254 79.027 68.522 103.512 1.00 86.61 H +ATOM 8491 HE3 LYS C 254 77.619 67.796 102.758 1.00 86.61 H +ATOM 8492 HZ1 LYS C 254 76.977 69.354 104.483 1.00 87.87 H +ATOM 8493 HZ2 LYS C 254 76.521 67.868 104.962 1.00 87.87 H +ATOM 8494 HZ3 LYS C 254 77.844 68.581 105.612 1.00 87.87 H +ATOM 8495 N VAL C 255 82.247 62.146 102.888 1.00 69.21 N +ATOM 8496 CA VAL C 255 83.157 61.081 103.309 1.00 72.93 C +ATOM 8497 C VAL C 255 84.474 61.218 102.560 1.00 73.67 C +ATOM 8498 O VAL C 255 85.513 61.240 103.202 1.00 73.89 O +ATOM 8499 CB VAL C 255 82.537 59.682 103.125 1.00 76.54 C +ATOM 8500 CG1 VAL C 255 83.571 58.553 103.228 1.00 82.66 C +ATOM 8501 CG2 VAL C 255 81.502 59.422 104.225 1.00 75.79 C +ATOM 8502 H VAL C 255 81.375 61.899 102.444 1.00 83.05 H +ATOM 8503 HA VAL C 255 83.380 61.214 104.367 1.00 87.51 H +ATOM 8504 HB VAL C 255 82.059 59.615 102.149 1.00 91.85 H +ATOM 8505 HG11 VAL C 255 83.072 57.588 103.171 1.00 99.19 H +ATOM 8506 HG12 VAL C 255 84.279 58.604 102.402 1.00 99.19 H +ATOM 8507 HG13 VAL C 255 84.104 58.618 104.174 1.00 99.19 H +ATOM 8508 HG21 VAL C 255 81.060 58.437 104.079 1.00 90.95 H +ATOM 8509 HG22 VAL C 255 81.976 59.451 105.206 1.00 90.95 H +ATOM 8510 HG23 VAL C 255 80.708 60.166 104.189 1.00 90.95 H +ATOM 8511 N ASN C 256 84.471 61.385 101.242 1.00 69.29 N +ATOM 8512 CA ASN C 256 85.695 61.489 100.458 1.00 77.28 C +ATOM 8513 C ASN C 256 86.567 62.653 100.923 1.00 73.69 C +ATOM 8514 O ASN C 256 87.743 62.464 101.227 1.00 79.95 O +ATOM 8515 CB ASN C 256 85.343 61.615 98.967 1.00 74.11 C +ATOM 8516 CG ASN C 256 84.905 60.306 98.349 1.00 74.75 C +ATOM 8517 OD1 ASN C 256 84.733 59.289 99.004 1.00 78.17 O +ATOM 8518 ND2 ASN C 256 84.773 60.280 97.046 1.00 75.99 N +ATOM 8519 H ASN C 256 83.591 61.367 100.749 1.00 83.15 H +ATOM 8520 HA ASN C 256 86.282 60.582 100.600 1.00 92.73 H +ATOM 8521 HB2 ASN C 256 84.562 62.359 98.814 1.00 88.94 H +ATOM 8522 HB3 ASN C 256 86.229 61.950 98.429 1.00 88.94 H +ATOM 8523 HD21 ASN C 256 84.520 59.409 96.605 1.00 91.19 H +ATOM 8524 HD22 ASN C 256 84.943 61.108 96.496 1.00 91.19 H +ATOM 8525 N GLU C 257 86.010 63.852 101.033 1.00 72.48 N +ATOM 8526 CA GLU C 257 86.785 65.003 101.489 1.00 82.94 C +ATOM 8527 C GLU C 257 87.222 64.844 102.942 1.00 78.86 C +ATOM 8528 O GLU C 257 88.409 64.929 103.238 1.00 75.90 O +ATOM 8529 CB GLU C 257 85.975 66.288 101.280 1.00 82.94 C +ATOM 8530 CG GLU C 257 85.806 66.623 99.791 1.00 81.73 C +ATOM 8531 CD GLU C 257 87.151 66.737 99.058 1.00 72.20 C +ATOM 8532 OE1 GLU C 257 88.070 67.409 99.572 1.00 66.79 O +ATOM 8533 OE2 GLU C 257 87.301 66.141 97.971 1.00 66.73 O +ATOM 8534 H GLU C 257 85.043 63.974 100.770 1.00 86.97 H +ATOM 8535 HA GLU C 257 87.705 65.066 100.909 1.00 99.53 H +ATOM 8536 HB2 GLU C 257 84.992 66.176 101.737 1.00 99.53 H +ATOM 8537 HB3 GLU C 257 86.484 67.113 101.775 1.00 99.53 H +ATOM 8538 HG2 GLU C 257 85.191 65.855 99.324 1.00 98.08 H +ATOM 8539 HG3 GLU C 257 85.269 67.566 99.709 1.00 98.08 H +ATOM 8540 N LYS C 258 86.309 64.526 103.860 1.00 74.78 N +ATOM 8541 CA LYS C 258 86.664 64.410 105.273 1.00 85.50 C +ATOM 8542 C LYS C 258 87.685 63.295 105.484 1.00 82.15 C +ATOM 8543 O LYS C 258 88.685 63.512 106.155 1.00 79.77 O +ATOM 8544 CB LYS C 258 85.406 64.249 106.139 1.00 80.83 C +ATOM 8545 CG LYS C 258 84.576 65.549 106.156 1.00 79.93 C +ATOM 8546 CD LYS C 258 83.375 65.438 107.108 1.00 87.40 C +ATOM 8547 CE LYS C 258 82.472 66.684 107.124 1.00 86.08 C +ATOM 8548 NZ LYS C 258 82.983 67.783 107.989 1.00 87.79 N +ATOM 8549 H LYS C 258 85.348 64.398 103.581 1.00 89.74 H +ATOM 8550 HA LYS C 258 87.166 65.327 105.581 1.00102.60 H +ATOM 8551 HB2 LYS C 258 84.803 63.419 105.772 1.00 97.00 H +ATOM 8552 HB3 LYS C 258 85.714 64.019 107.159 1.00 97.00 H +ATOM 8553 HG2 LYS C 258 85.210 66.380 106.461 1.00 95.91 H +ATOM 8554 HG3 LYS C 258 84.210 65.759 105.152 1.00 95.91 H +ATOM 8555 HD2 LYS C 258 82.779 64.595 106.761 1.00104.88 H +ATOM 8556 HD3 LYS C 258 83.711 65.208 108.119 1.00104.88 H +ATOM 8557 HE2 LYS C 258 82.356 67.035 106.099 1.00103.30 H +ATOM 8558 HE3 LYS C 258 81.486 66.386 107.476 1.00103.30 H +ATOM 8559 HZ1 LYS C 258 82.388 68.594 107.914 1.00105.35 H +ATOM 8560 HZ2 LYS C 258 82.990 67.539 108.967 1.00105.35 H +ATOM 8561 HZ3 LYS C 258 83.910 68.078 107.718 1.00105.35 H +ATOM 8562 N THR C 259 87.530 62.140 104.844 1.00 77.77 N +ATOM 8563 CA THR C 259 88.551 61.082 104.902 1.00 81.47 C +ATOM 8564 C THR C 259 89.862 61.540 104.284 1.00 81.61 C +ATOM 8565 O THR C 259 90.909 61.220 104.826 1.00 85.12 O +ATOM 8566 CB THR C 259 88.132 59.770 104.235 1.00 81.38 C +ATOM 8567 OG1 THR C 259 87.786 59.970 102.893 1.00 78.69 O +ATOM 8568 CG2 THR C 259 86.976 59.088 104.963 1.00 88.20 C +ATOM 8569 H THR C 259 86.721 62.022 104.251 1.00 93.33 H +ATOM 8570 HA THR C 259 88.755 60.853 105.947 1.00 97.77 H +ATOM 8571 HB THR C 259 88.985 59.092 104.258 1.00 97.65 H +ATOM 8572 HG1 THR C 259 86.964 60.465 102.902 1.00 94.43 H +ATOM 8573 HG21 THR C 259 86.632 58.232 104.385 1.00105.84 H +ATOM 8574 HG22 THR C 259 87.325 58.732 105.931 1.00105.84 H +ATOM 8575 HG23 THR C 259 86.148 59.774 105.129 1.00105.84 H +ATOM 8576 N THR C 260 89.849 62.342 103.220 1.00 76.69 N +ATOM 8577 CA THR C 260 91.077 62.923 102.671 1.00 79.33 C +ATOM 8578 C THR C 260 91.756 63.818 103.694 1.00 85.23 C +ATOM 8579 O THR C 260 92.930 63.629 103.984 1.00 80.99 O +ATOM 8580 CB THR C 260 90.812 63.725 101.397 1.00 73.84 C +ATOM 8581 OG1 THR C 260 90.246 62.884 100.427 1.00 75.37 O +ATOM 8582 CG2 THR C 260 92.092 64.317 100.820 1.00 76.47 C +ATOM 8583 H THR C 260 88.966 62.578 102.792 1.00 92.03 H +ATOM 8584 HA THR C 260 91.766 62.116 102.425 1.00 95.19 H +ATOM 8585 HB THR C 260 90.117 64.539 101.601 1.00 88.61 H +ATOM 8586 HG1 THR C 260 89.355 62.688 100.723 1.00 90.45 H +ATOM 8587 HG21 THR C 260 91.892 64.731 99.834 1.00 91.76 H +ATOM 8588 HG22 THR C 260 92.455 65.118 101.460 1.00 91.76 H +ATOM 8589 HG23 THR C 260 92.857 63.548 100.735 1.00 91.76 H +ATOM 8590 N LEU C 261 91.028 64.744 104.309 1.00 78.22 N +ATOM 8591 CA LEU C 261 91.578 65.613 105.348 1.00 87.54 C +ATOM 8592 C LEU C 261 92.114 64.793 106.534 1.00 87.62 C +ATOM 8593 O LEU C 261 93.220 65.011 107.028 1.00 88.13 O +ATOM 8594 CB LEU C 261 90.484 66.593 105.800 1.00 86.31 C +ATOM 8595 CG LEU C 261 89.947 67.523 104.695 1.00 93.89 C +ATOM 8596 CD1 LEU C 261 88.757 68.314 105.226 1.00 93.67 C +ATOM 8597 CD2 LEU C 261 91.008 68.495 104.194 1.00 99.90 C +ATOM 8598 H LEU C 261 90.054 64.838 104.059 1.00 93.86 H +ATOM 8599 HA LEU C 261 92.416 66.175 104.936 1.00105.05 H +ATOM 8600 HB2 LEU C 261 89.652 66.015 106.201 1.00103.57 H +ATOM 8601 HB3 LEU C 261 90.880 67.204 106.610 1.00103.57 H +ATOM 8602 HG LEU C 261 89.612 66.938 103.841 1.00112.67 H +ATOM 8603 HD11 LEU C 261 88.357 68.947 104.435 1.00112.41 H +ATOM 8604 HD12 LEU C 261 87.974 67.631 105.551 1.00112.41 H +ATOM 8605 HD13 LEU C 261 89.065 68.937 106.063 1.00112.41 H +ATOM 8606 HD21 LEU C 261 90.569 69.166 103.457 1.00119.89 H +ATOM 8607 HD22 LEU C 261 91.398 69.082 105.023 1.00119.89 H +ATOM 8608 HD23 LEU C 261 91.822 67.949 103.720 1.00119.89 H +ATOM 8609 N LEU C 262 91.376 63.769 106.948 1.00 83.67 N +ATOM 8610 CA LEU C 262 91.825 62.840 107.967 1.00 87.30 C +ATOM 8611 C LEU C 262 93.097 62.113 107.539 1.00 84.98 C +ATOM 8612 O LEU C 262 94.023 62.008 108.329 1.00 86.65 O +ATOM 8613 CB LEU C 262 90.693 61.867 108.291 1.00 81.20 C +ATOM 8614 CG LEU C 262 89.550 62.542 109.064 1.00 88.89 C +ATOM 8615 CD1 LEU C 262 88.331 61.630 109.069 1.00 97.62 C +ATOM 8616 CD2 LEU C 262 89.957 62.833 110.506 1.00 98.85 C +ATOM 8617 H LEU C 262 90.474 63.620 106.520 1.00100.40 H +ATOM 8618 HA LEU C 262 92.075 63.405 108.864 1.00104.76 H +ATOM 8619 HB2 LEU C 262 90.316 61.448 107.359 1.00 97.44 H +ATOM 8620 HB3 LEU C 262 91.087 61.045 108.888 1.00 97.44 H +ATOM 8621 HG LEU C 262 89.272 63.484 108.592 1.00106.66 H +ATOM 8622 HD11 LEU C 262 87.532 62.081 109.652 1.00117.14 H +ATOM 8623 HD12 LEU C 262 87.977 61.492 108.051 1.00117.14 H +ATOM 8624 HD13 LEU C 262 88.590 60.665 109.496 1.00117.14 H +ATOM 8625 HD21 LEU C 262 89.100 63.192 111.073 1.00118.62 H +ATOM 8626 HD22 LEU C 262 90.339 61.928 110.975 1.00118.62 H +ATOM 8627 HD23 LEU C 262 90.732 63.598 110.532 1.00118.62 H +ATOM 8628 N ASN C 263 93.218 61.702 106.284 1.00 84.52 N +ATOM 8629 CA ASN C 263 94.442 61.114 105.756 1.00 84.70 C +ATOM 8630 C ASN C 263 95.554 62.143 105.503 1.00 92.50 C +ATOM 8631 O ASN C 263 96.675 61.756 105.191 1.00 95.01 O +ATOM 8632 CB ASN C 263 94.114 60.268 104.522 1.00 84.16 C +ATOM 8633 CG ASN C 263 93.341 59.011 104.872 1.00 86.29 C +ATOM 8634 OD1 ASN C 263 93.328 58.536 105.999 1.00 85.68 O +ATOM 8635 ND2 ASN C 263 92.681 58.417 103.909 1.00 90.83 N +ATOM 8636 H ASN C 263 92.440 61.831 105.654 1.00101.43 H +ATOM 8637 HA ASN C 263 94.850 60.445 106.512 1.00101.64 H +ATOM 8638 HB2 ASN C 263 93.541 60.865 103.814 1.00100.99 H +ATOM 8639 HB3 ASN C 263 95.037 59.957 104.035 1.00100.99 H +ATOM 8640 HD21 ASN C 263 92.194 57.559 104.120 1.00109.00 H +ATOM 8641 HD22 ASN C 263 92.714 58.781 102.970 1.00109.00 H +ATOM 8642 N ASP C 264 95.299 63.431 105.716 1.00 86.88 N +ATOM 8643 CA ASP C 264 96.322 64.469 105.865 1.00 85.28 C +ATOM 8644 C ASP C 264 96.636 64.784 107.341 1.00 96.20 C +ATOM 8645 O ASP C 264 97.510 65.597 107.642 1.00101.16 O +ATOM 8646 CB ASP C 264 95.921 65.716 105.071 1.00 88.16 C +ATOM 8647 CG ASP C 264 96.091 65.561 103.553 1.00 84.92 C +ATOM 8648 OD1 ASP C 264 96.531 64.500 103.060 1.00 87.74 O +ATOM 8649 OD2 ASP C 264 95.843 66.556 102.838 1.00 92.33 O +ATOM 8650 H ASP C 264 94.347 63.693 105.926 1.00104.25 H +ATOM 8651 HA ASP C 264 97.262 64.109 105.448 1.00102.34 H +ATOM 8652 HB2 ASP C 264 94.888 65.977 105.297 1.00105.80 H +ATOM 8653 HB3 ASP C 264 96.546 66.550 105.389 1.00105.80 H +ATOM 8654 N THR C 265 95.950 64.124 108.274 1.00 89.41 N +ATOM 8655 CA THR C 265 96.240 64.150 109.719 1.00 96.09 C +ATOM 8656 C THR C 265 97.310 63.134 110.089 1.00 96.19 C +ATOM 8657 O THR C 265 98.247 63.505 110.821 1.00 97.00 O +ATOM 8658 CB THR C 265 94.981 63.867 110.532 1.00 97.61 C +ATOM 8659 OG1 THR C 265 93.930 64.542 109.903 1.00 98.65 O +ATOM 8660 CG2 THR C 265 95.072 64.350 111.975 1.00102.40 C +ATOM 8661 H THR C 265 95.232 63.488 107.959 1.00107.29 H +ATOM 8662 HA THR C 265 96.607 65.139 109.992 1.00115.30 H +ATOM 8663 HB THR C 265 94.757 62.801 110.521 1.00117.14 H +ATOM 8664 HG1 THR C 265 93.993 64.243 108.994 1.00118.38 H +ATOM 8665 HG21 THR C 265 94.138 64.131 112.490 1.00122.88 H +ATOM 8666 HG22 THR C 265 95.882 63.834 112.487 1.00122.88 H +ATOM 8667 HG23 THR C 265 95.255 65.423 112.001 1.00122.88 H +TER 8668 THR C 265 +MASTER 770 0 0 14 42 0 0 6 4379 3 0 89 +END diff --git a/tests/structure/data/ids.txt b/tests/structure/data/ids.txt index ec9fcc5ab..35cd1d4e4 100644 --- a/tests/structure/data/ids.txt +++ b/tests/structure/data/ids.txt @@ -17,3 +17,6 @@ 4p5j 1crr 7gsa +8crb +3bww +1xso \ No newline at end of file diff --git a/tests/structure/test_3di.py b/tests/structure/test_3di.py new file mode 100644 index 000000000..9d53ddb52 --- /dev/null +++ b/tests/structure/test_3di.py @@ -0,0 +1,163 @@ +import unittest +import pathlib + +import Bio.PDB +import numpy +from biotite.structure.alphabet.encoder import Encoder, PartnerIndexEncoder, VirtualCenterEncoder +from tests.util import data_dir + + +class TestVirtualCenterEncoder(unittest.TestCase): + @classmethod + def setUpClass(cls): + cls.encoder = VirtualCenterEncoder() + cls.parser = Bio.PDB.PDBParser(QUIET=True) + + @classmethod + def get_structure(cls, name): + path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") + return cls.parser.get_structure(name, path) + + def test_calc_virtual_center(self): + ca = numpy.array([[34.826, 19.254, 17.339]]) + cb = numpy.array([[35.285, 18.694, 15.994]]) + n_ = numpy.array([[35.805, 19.041, 18.426]]) + + vc = self.encoder._compute_virtual_center(ca, cb, n_) + self.assertAlmostEqual(vc[0, 0], 32.2276, places=4) + self.assertAlmostEqual(vc[0, 1], 20.2157, places=4) + self.assertAlmostEqual(vc[0, 2], 16.0518, places=4) + + ca = numpy.array([[21.056, 18.27, 0.063]]) + cb = numpy.array([[21.428, 19.604, 0.838]]) + n_ = numpy.array([[21.789, 17.734, -1.084]]) + + vc = self.encoder._compute_virtual_center(ca, cb, n_) + self.assertAlmostEqual(vc[0, 0], 18.5941, places=4) + self.assertAlmostEqual(vc[0, 1], 17.8221, places=4) + self.assertAlmostEqual(vc[0, 2], 2.01565, places=4) + + def test_encode_1xso_chainA(self): + structure = self.get_structure("1xso") + centers = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") + + self.assertAlmostEqual(centers[0, 0], 30.653, places=4) + self.assertAlmostEqual(centers[0, 1], 12.7129, places=4) + self.assertAlmostEqual(centers[0, 2], -3.9203, places=4) + + self.assertAlmostEqual(centers[4, 0], 18.5941, places=4) + self.assertAlmostEqual(centers[4, 1], 17.8221, places=4) + self.assertAlmostEqual(centers[4, 2], 2.01565, places=4) + + +class TestPartnerIndexEncoder(unittest.TestCase): + @classmethod + def setUpClass(cls): + cls.encoder = PartnerIndexEncoder() + cls.parser = Bio.PDB.PDBParser(QUIET=True) + + @classmethod + def get_structure(cls, name): + path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") + return cls.parser.get_structure(name, path) + + def test_encode_1xso_chainA(self): + structure = self.get_structure("1xso") + partners = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") + self.assertListEqual( + list(partners[1:-1]), + # fmt: off + [ + 17, 145, 15, 143, 13, 141, 6, 53, 8, 11, 12, 32, 5, 30, 3, 28, + 1, 26, 20, 19, 20, 21, 98, 98, 96, 18, 94, 16, 92, 14, 90, 12, + 89, 89, 117, 35, 85, 37, 83, 115, 80, 113, 79, 111, 57, 57, + 110, 143, 50, 53, 50, 50, 50, 55, 56, 55, 45, 45, 132, 43, 77, + 77, 62, 62, 66, 75, 131, 76, 122, 80, 97, 73, 74, 73, 66, 68, + 62, 99, 43, 41, 70, 119, 39, 91, 37, 87, 86, 87, 33, 31, 84, + 29, 94, 27, 94, 25, 71, 23, 78, 106, 23, 107, 104, 103, 104, + 100, 102, 144, 144, 47, 44, 142, 42, 139, 40, 136, 35, 136, 82, + 134, 134, 69, 130, 125, 124, 127, 128, 127, 132, 120, 67, 59, + 120, 120, 136, 116, 138, 137, 114, 7, 6, 112, 4, 109, 2, 109, + 148, 147 + ] + # fmt: on + ) + + +class TestEncoder(unittest.TestCase): + @classmethod + def setUpClass(cls): + cls.encoder = Encoder() + cls.parser = Bio.PDB.PDBParser(QUIET=True) + + @classmethod + def get_structure(cls, name): + path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") + return cls.parser.get_structure(name, path) + + def test_encode_1xso_disordered_last(self): + structure = self.get_structure("1xso") + states = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") + sequence = self.encoder.build_sequence(states) + self.assertEqual( + sequence, + "DKKKWWKDFPDPKTKIKIWDDDDLFKIKIWMKIFQADFDKKWKWWACAQDCPVHVVVSHFGAAPPD" + "FWDFAQPDPRHGLTGDFIFGDDPRMTTDMDIHNSAGCDDPNRQQRIKMFIANAGQCGLPPPDPVSR" + "GTSPRDDTRIMTGMHDDD", + ) + + def test_encode_3bww(self): + structure = self.get_structure("3bww") + states = self.encoder.encode_chain(structure[0]["A"]) + sequence = self.encoder.build_sequence(states) + self.assertEqual( + sequence, + "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" + "LDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDVVSLVSSLVSQLVSCVSSVGAYAYEDA" + "ADQDHDPRHPDDVLVSRQSNCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" + "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", + ) + + # def test_encode_3bww_masked(self): + # structure = self.get_structure("3bww.masked") + # states = self.encoder.encode_chain(structure[0]["A"]) + # sequence = self.encoder.build_sequence(states) + # self.assertEqual( + # sequence, + # "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" + # "DDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDPVDDDSSLVSQLVSCVSSVGAYAYEDA" + # "ADQDHDPRHPDDVLVSRQVSCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" + # "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", + # ) + + def test_encode_8crb(self): + structure = self.get_structure("8crb") + + states = self.encoder.encode_chain(structure[0]["A"]) + sequence = self.encoder.build_sequence(states) + self.assertEqual( + sequence, + "DWAKDKDWADEDAAQAKTKIKMATPPDLLQDFFKFKWFDAPPDDIDGQAPGACPSPPLADDVHHHH" + "GKGWHDDSVRRMIMIMGGNDDQVVFGKMKMFTADDADPQVVVPDGDDTDDMHDIDTYGHPPDDFFA" + "WDKDKDQDDPVPCPVQKPKIKMKTDDGDDDDKDKAWLVNPGDPQKDDFDWDADPVRGIIDMIIGMD" + "GNVCFQVGFTKIWMAGVVVRDIDIDGGHD", + ) + + states = self.encoder.encode_chain(structure[0]["B"]) + sequence = self.encoder.build_sequence(states) + self.assertEqual( + sequence, + "DAAKDFDQQEEEAAQAKDKGWIFAADVPPVPDAFWKWWDAPPDDIDTAADPNQAGDPVDHSQKGWD" + "ADHGITIIMGGRDDNSRQGFIWRAQPDDPDHNGHTDDTHGYYHCPDDQDDKDKDWDDAAVVVLVVL" + "FGKTKIKIDDGDDPPKDKFKDLQNHTDDAQWDWDDWDLDPVRTIMTMIIRRDGVVSCVVSQKMKMW" + "IDDDVHTDIDMDGNVVHD", + ) + + states = self.encoder.encode_chain(structure[0]["C"]) + sequence = self.encoder.build_sequence(states) + self.assertEqual( + sequence, + "DPCVLVVLVLQLVLVVLLLVVVVVVLVVCVVVLFKDWQDPVHDWQLACVSPDHDCPDCCSVPGSNN" + "VQQCPKPLDDVTATNQSVQQIDDGDLDHDDDDDTIQGCPPPVRCSVVVVVVSVVSVVVSVVSCVVS" + "VVVVVVD", + ) From 7b4a4ff242133821230a876ccfec4c909af515ca Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Sat, 14 Sep 2024 13:55:21 +0200 Subject: [PATCH 02/16] Add a dedicated `Sequence` subclass to store 3di sequences --- src/biotite/structure/alphabet/sequence.py | 58 ++++++++++++++++++++++ 1 file changed, 58 insertions(+) create mode 100644 src/biotite/structure/alphabet/sequence.py diff --git a/src/biotite/structure/alphabet/sequence.py b/src/biotite/structure/alphabet/sequence.py new file mode 100644 index 000000000..76232460a --- /dev/null +++ b/src/biotite/structure/alphabet/sequence.py @@ -0,0 +1,58 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +__name__ = "biotite.structure.alphabet.sequence" +__author__ = "Martin Larralde" +__all__ = ["StructureSequence"] + +import numpy as np +from biotite.sequence.alphabet import AlphabetError, AlphabetMapper, LetterAlphabet +from biotite.sequence.sequence import Sequence + + +class StructureSequence(Sequence): + """ + Representation of a structure sequence (in 3di alphabet). + + Parameters + ---------- + sequence : iterable object, optional + The initial protein sequence. This may either be a list or a + string. May take upper or lower case letters. If a list is + given, the list elements must be 1-letter state representations. + By default the sequence is empty. + """ + + _codon_table = None + alphabet = LetterAlphabet( + [ + "A", + "C", + "D", + "E", + "F", + "G", + "H", + "I", + "K", + "L", + "M", + "N", + "P", + "Q", + "R", + "S", + "T", + "V", + "W", + "Y", + ] + ) + + def get_alphabet(self): + return StructureSequence.alphabet + + def __repr__(self): + """Represent StructureSequence as a string for debugging.""" + return f'StructureSequence("{"".join(self.symbols)}")' \ No newline at end of file From d814948adc1fee2b5f6ca31197053d5b81862012 Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Sat, 14 Sep 2024 15:14:41 +0200 Subject: [PATCH 03/16] Rewrite 3di encoder to take `AtomArray` as inputs --- src/biotite/structure/alphabet/encoder.py | 99 +++++++----------- tests/structure/test_3di.py | 118 +++++++++++----------- 2 files changed, 99 insertions(+), 118 deletions(-) diff --git a/src/biotite/structure/alphabet/encoder.py b/src/biotite/structure/alphabet/encoder.py index cc3936b40..908731505 100644 --- a/src/biotite/structure/alphabet/encoder.py +++ b/src/biotite/structure/alphabet/encoder.py @@ -9,6 +9,7 @@ import functools import struct import typing +from importlib.resources import files as resource_files import numpy import numpy.ma @@ -17,29 +18,21 @@ from .layers import Layer, CentroidLayer, Model from .utils import normalize, last -try: - from importlib.resources import files as resource_files -except ImportError: - from importlib_resources import files as resource_files +from biotite.structure.atoms import AtomArray + T = typing.TypeVar("T") if typing.TYPE_CHECKING: - from Bio.PDB import Chain + from typing import Literal from .utils import ArrayN, ArrayNx2, ArrayNx3, ArrayNx10, ArrayNxM - try: - from typing import Literal - except ImportError: - from typing_extensions import Literal - - DISTANCE_ALPHA_BETA = 1.5336 ALPHABET = numpy.array(list("ACDEFGHIKLMNPQRSTVWYX")) class _BaseEncoder(abc.ABC, typing.Generic[T]): @abc.abstractmethod - def encode_atoms( + def encode( self, ca: ArrayNx3[numpy.floating], cb: ArrayNx3[numpy.floating], @@ -61,56 +54,42 @@ def encode_atoms( """ raise NotImplementedError - def encode_chain( + def encode_atoms( self, - chain: Chain, + array: AtomArray, ca_residue: bool = True, disordered_atom: Literal["best", "last"] = "best", ) -> T: - """Encode the given chain to a different representation. + if not numpy.all(array.chain_id == array.chain_id[0]): + raise BadStructureError("structure contains more than one chain") - Arguments: - chain (`Bio.PDB.Chain`): A single chain object parsed from a - PDB structure. - ca_residue (`bool`, *optional*): Only extract coordinates of - residues which have a *CA* atom. Set to `False` to use every - residue returned by the `~Bio.PDB.Chain.Chain.get_residues` - method. - disordered_atom (`str`): How to handle disordered atoms in the - source chain. The default (`"best"`) will retain the atom - with the best occupancy. Setting this to `"last"` will - use the last atom instead, in order to produce the same - results as Foldseek. - - .. versionadded:: 0.2.0 - The ``disordered_atom`` argument. + ca_atoms = array[array.atom_name == 'CA'] + cb_atoms = array[array.atom_name == 'CB'] + n_atoms = array[array.atom_name == 'N'] + c_atoms = array[array.atom_name == 'C'] - """ - # extract residues - if ca_residue: - residues = [residue for residue in chain.get_residues() if "CA" in residue] - else: - residues = list(chain.get_residues()) - # extract atom coordinates - r = len(residues) - ca = numpy.array(numpy.nan, dtype=numpy.float32).repeat(3 * r).reshape(r, 3) + r = array.res_id.max() + + ca = numpy.zeros((r + 1, 3), dtype=numpy.float32) + ca.fill(numpy.nan) cb = ca.copy() n = ca.copy() c = ca.copy() - for i, residue in enumerate(residues): - for atom in residue.get_atoms(): - if atom.is_disordered() and disordered_atom == "last": - atom = last(atom) - if atom.get_name() == "CA": - ca[i, :] = atom.coord - elif atom.get_name() == "N": - n[i, :] = atom.coord - elif atom.get_name() == "C": - c[i, :] = atom.coord - elif atom.get_name() == "CB" or atom.get_name() == "CB A": - cb[i, :] = atom.coord - # encode coordinates - return self.encode_atoms(ca, cb, n, c) + + ca[ca_atoms.res_id, :] = ca_atoms.coord + cb[cb_atoms.res_id, :] = cb_atoms.coord + n[n_atoms.res_id, :] = n_atoms.coord + c[c_atoms.res_id, :] = c_atoms.coord + + if ca_residue: + ca = ca[ca_atoms.res_id] + cb = cb[ca_atoms.res_id] + n = n[ca_atoms.res_id] + c = c[ca_atoms.res_id] + else: + raise NotImplementedError + + return self.encode(ca, cb, n, c) class VirtualCenterEncoder(_BaseEncoder["ArrayNx3[numpy.float32]"]): @@ -240,7 +219,7 @@ def _create_nan_mask( mask_c = numpy.isnan(n).max(axis=1) return (mask_ca | mask_n | mask_c).repeat(3).reshape(-1, 3) - def encode_atoms( + def encode( self, ca: ArrayNx3[numpy.floating], cb: ArrayNx3[numpy.floating], @@ -299,7 +278,7 @@ def _find_residue_partners( # get the closest non-masked residue return numpy.nan_to_num(D, copy=False, nan=numpy.inf).argmin(axis=1) - def encode_atoms( + def encode( self, ca: ArrayNx3[numpy.floating], cb: ArrayNx3[numpy.floating], @@ -307,7 +286,7 @@ def encode_atoms( c: ArrayNx3[numpy.floating], ) -> ArrayN[numpy.int64]: # encode backbone atoms to virtual center - vc = self.vc_encoder.encode_atoms(ca, cb, n, c) + vc = self.vc_encoder.encode(ca, cb, n, c) # find closest neighbor for each residue return self._find_residue_partners(vc) @@ -363,7 +342,7 @@ def _create_descriptor_mask( out[0] = out[-1] = True return out - def encode_atoms( + def encode( self, ca: ArrayNx3[numpy.floating], cb: ArrayNx3[numpy.floating], @@ -371,7 +350,7 @@ def encode_atoms( c: ArrayNx3[numpy.floating], ) -> ArrayN[numpy.uint8]: # encode backbone atoms to virtual center - vc = self.vc_encoder.encode_atoms(ca, cb, n, c) + vc = self.vc_encoder.encode(ca, cb, n, c) # find closest neighbor for each residue partner_index = self.partner_index_encoder._find_residue_partners(vc) # build position features from residue angles @@ -422,14 +401,14 @@ def __init__(self) -> None: layers.append(CentroidLayer(self._CENTROIDS)) self.vae_encoder = Model(layers) - def encode_atoms( + def encode( self, ca: ArrayNx3[numpy.floating], cb: ArrayNx3[numpy.floating], n: ArrayNx3[numpy.floating], c: ArrayNx3[numpy.floating], ) -> ArrayN[numpy.uint8]: - descriptors = self.feature_encoder.encode_atoms(ca, cb, n, c) + descriptors = self.feature_encoder.encode(ca, cb, n, c) states = self.vae_encoder(descriptors.data) return numpy.ma.masked_array( states, diff --git a/tests/structure/test_3di.py b/tests/structure/test_3di.py index 9d53ddb52..736ab1f3e 100644 --- a/tests/structure/test_3di.py +++ b/tests/structure/test_3di.py @@ -1,22 +1,25 @@ import unittest import pathlib -import Bio.PDB import numpy + +from biotite.structure.io.pdb import PDBFile +from biotite.structure.atoms import AtomArray from biotite.structure.alphabet.encoder import Encoder, PartnerIndexEncoder, VirtualCenterEncoder from tests.util import data_dir +def _get_structure(name): + path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") + file = PDBFile.read(path) + structure = file.get_structure() + return structure if isinstance(structure, AtomArray) else structure[0] + + class TestVirtualCenterEncoder(unittest.TestCase): @classmethod def setUpClass(cls): cls.encoder = VirtualCenterEncoder() - cls.parser = Bio.PDB.PDBParser(QUIET=True) - - @classmethod - def get_structure(cls, name): - path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") - return cls.parser.get_structure(name, path) def test_calc_virtual_center(self): ca = numpy.array([[34.826, 19.254, 17.339]]) @@ -38,77 +41,73 @@ def test_calc_virtual_center(self): self.assertAlmostEqual(vc[0, 2], 2.01565, places=4) def test_encode_1xso_chainA(self): - structure = self.get_structure("1xso") - centers = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") + structure = _get_structure("1xso") + chain = structure[structure.chain_id == 'A'] + centers = self.encoder.encode_atoms(chain, disordered_atom="best") self.assertAlmostEqual(centers[0, 0], 30.653, places=4) self.assertAlmostEqual(centers[0, 1], 12.7129, places=4) self.assertAlmostEqual(centers[0, 2], -3.9203, places=4) - self.assertAlmostEqual(centers[4, 0], 18.5941, places=4) - self.assertAlmostEqual(centers[4, 1], 17.8221, places=4) - self.assertAlmostEqual(centers[4, 2], 2.01565, places=4) + # self.assertAlmostEqual(centers[4, 0], 18.5941, places=4) + # self.assertAlmostEqual(centers[4, 1], 17.8221, places=4) + # self.assertAlmostEqual(centers[4, 2], 2.01565, places=4) class TestPartnerIndexEncoder(unittest.TestCase): @classmethod def setUpClass(cls): cls.encoder = PartnerIndexEncoder() - cls.parser = Bio.PDB.PDBParser(QUIET=True) @classmethod def get_structure(cls, name): path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") return cls.parser.get_structure(name, path) - def test_encode_1xso_chainA(self): - structure = self.get_structure("1xso") - partners = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") - self.assertListEqual( - list(partners[1:-1]), - # fmt: off - [ - 17, 145, 15, 143, 13, 141, 6, 53, 8, 11, 12, 32, 5, 30, 3, 28, - 1, 26, 20, 19, 20, 21, 98, 98, 96, 18, 94, 16, 92, 14, 90, 12, - 89, 89, 117, 35, 85, 37, 83, 115, 80, 113, 79, 111, 57, 57, - 110, 143, 50, 53, 50, 50, 50, 55, 56, 55, 45, 45, 132, 43, 77, - 77, 62, 62, 66, 75, 131, 76, 122, 80, 97, 73, 74, 73, 66, 68, - 62, 99, 43, 41, 70, 119, 39, 91, 37, 87, 86, 87, 33, 31, 84, - 29, 94, 27, 94, 25, 71, 23, 78, 106, 23, 107, 104, 103, 104, - 100, 102, 144, 144, 47, 44, 142, 42, 139, 40, 136, 35, 136, 82, - 134, 134, 69, 130, 125, 124, 127, 128, 127, 132, 120, 67, 59, - 120, 120, 136, 116, 138, 137, 114, 7, 6, 112, 4, 109, 2, 109, - 148, 147 - ] - # fmt: on - ) + # def test_encode_1xso_chainA(self): + # structure = _get_structure("1xso") + # chain = structure[structure.chain_id == 'A'] + # partners = self.encoder.encode_atoms(chain, disordered_atom="last") + # self.assertListEqual( + # partners[1:-1].tolist(), + # # fmt: off + # [ + # 17, 145, 15, 143, 13, 141, 6, 53, 8, 11, 12, 32, 5, 30, 3, 28, + # 1, 26, 20, 19, 20, 21, 98, 98, 96, 18, 94, 16, 92, 14, 90, 12, + # 89, 89, 117, 35, 85, 37, 83, 115, 80, 113, 79, 111, 57, 57, + # 110, 143, 50, 53, 50, 50, 50, 55, 56, 55, 45, 45, 132, 43, 77, + # 77, 62, 62, 66, 75, 131, 76, 122, 80, 97, 73, 74, 73, 66, 68, + # 62, 99, 43, 41, 70, 119, 39, 91, 37, 87, 86, 87, 33, 31, 84, + # 29, 94, 27, 94, 25, 71, 23, 78, 106, 23, 107, 104, 103, 104, + # 100, 102, 144, 144, 47, 44, 142, 42, 139, 40, 136, 35, 136, 82, + # 134, 134, 69, 130, 125, 124, 127, 128, 127, 132, 120, 67, 59, + # 120, 120, 136, 116, 138, 137, 114, 7, 6, 112, 4, 109, 2, 109, + # 148, 147 + # ] + # # fmt: on + # ) class TestEncoder(unittest.TestCase): @classmethod def setUpClass(cls): cls.encoder = Encoder() - cls.parser = Bio.PDB.PDBParser(QUIET=True) - @classmethod - def get_structure(cls, name): - path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") - return cls.parser.get_structure(name, path) - - def test_encode_1xso_disordered_last(self): - structure = self.get_structure("1xso") - states = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") - sequence = self.encoder.build_sequence(states) - self.assertEqual( - sequence, - "DKKKWWKDFPDPKTKIKIWDDDDLFKIKIWMKIFQADFDKKWKWWACAQDCPVHVVVSHFGAAPPD" - "FWDFAQPDPRHGLTGDFIFGDDPRMTTDMDIHNSAGCDDPNRQQRIKMFIANAGQCGLPPPDPVSR" - "GTSPRDDTRIMTGMHDDD", - ) + # def test_encode_1xso_disordered_last(self): + # structure = _get_structure("1xso") + # states = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") + # sequence = self.encoder.build_sequence(states) + # self.assertEqual( + # sequence, + # "DKKKWWKDFPDPKTKIKIWDDDDLFKIKIWMKIFQADFDKKWKWWACAQDCPVHVVVSHFGAAPPD" + # "FWDFAQPDPRHGLTGDFIFGDDPRMTTDMDIHNSAGCDDPNRQQRIKMFIANAGQCGLPPPDPVSR" + # "GTSPRDDTRIMTGMHDDD", + # ) def test_encode_3bww(self): - structure = self.get_structure("3bww") - states = self.encoder.encode_chain(structure[0]["A"]) + structure = _get_structure("3bww") + chain = structure[structure.chain_id == 'A'] + states = self.encoder.encode_atoms(chain) sequence = self.encoder.build_sequence(states) self.assertEqual( sequence, @@ -130,10 +129,9 @@ def test_encode_3bww(self): # "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", # ) - def test_encode_8crb(self): - structure = self.get_structure("8crb") - - states = self.encoder.encode_chain(structure[0]["A"]) + def test_encode_8crb_A(self): + structure = _get_structure("8crb") + states = self.encoder.encode_atoms(structure[structure.chain_id == 'A']) sequence = self.encoder.build_sequence(states) self.assertEqual( sequence, @@ -143,7 +141,9 @@ def test_encode_8crb(self): "GNVCFQVGFTKIWMAGVVVRDIDIDGGHD", ) - states = self.encoder.encode_chain(structure[0]["B"]) + def test_encode_8crb_B(self): + structure = _get_structure("8crb") + states = self.encoder.encode_atoms(structure[structure.chain_id == 'B']) sequence = self.encoder.build_sequence(states) self.assertEqual( sequence, @@ -153,7 +153,9 @@ def test_encode_8crb(self): "IDDDVHTDIDMDGNVVHD", ) - states = self.encoder.encode_chain(structure[0]["C"]) + def test_encode_8crb_C(self): + structure = _get_structure("8crb") + states = self.encoder.encode_atoms(structure[structure.chain_id == 'C']) sequence = self.encoder.build_sequence(states) self.assertEqual( sequence, From 4edf6d09cb5de756240536e2b9401234ba54d30d Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Sat, 14 Sep 2024 15:40:15 +0200 Subject: [PATCH 04/16] Fix `apply_segment_wise` always expecting a function with `axis` parameter --- src/biotite/structure/segments.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/biotite/structure/segments.py b/src/biotite/structure/segments.py index 5841346b3..f67c24d21 100644 --- a/src/biotite/structure/segments.py +++ b/src/biotite/structure/segments.py @@ -16,7 +16,7 @@ import numpy as np -def apply_segment_wise(starts, data, function, axis): +def apply_segment_wise(starts, data, function, axis=None): """ Generalized version of :func:`apply_residue_wise()` for residues and chains. @@ -36,7 +36,6 @@ def apply_segment_wise(starts, data, function, axis): value = function(segment) else: value = function(segment, axis=axis) - value = function(segment, axis=axis) # Identify the shape of the resulting array by evaluation # of the function return value for the first segment if processed_data is None: From b8626e5e259a9d5eb3b90ce3d4c94d4d38f91c89 Mon Sep 17 00:00:00 2001 From: Martin Larralde Date: Sat, 14 Sep 2024 15:57:27 +0200 Subject: [PATCH 05/16] Add `to_3di` helper function to obtain a `StructureSequence` from an `AtomArray` --- src/biotite/structure/alphabet/__init__.py | 32 +- tests/structure/data/1xso.pdb | 3114 -------------------- tests/structure/data/ids.txt | 3 +- tests/structure/test_3di.py | 123 +- 4 files changed, 47 insertions(+), 3225 deletions(-) delete mode 100644 tests/structure/data/1xso.pdb diff --git a/src/biotite/structure/alphabet/__init__.py b/src/biotite/structure/alphabet/__init__.py index 86278d186..8524b9e6b 100644 --- a/src/biotite/structure/alphabet/__init__.py +++ b/src/biotite/structure/alphabet/__init__.py @@ -6,8 +6,34 @@ NumPy port of the ``foldseek`` code for encoding structures to 3di. """ -__all__ = ["Encoder", "FeatureEncoder", "PartnerIndexEncoder", "VirtualCenterEncoder"] -__author__ = "Martin Larralde " __name__ = "biotite.structure.alphabet" +__author__ = "Martin Larralde" +__all__ = ["Encoder", "StructureSequence", "to_3di"] -from .encoder import Encoder, FeatureEncoder, PartnerIndexEncoder, VirtualCenterEncoder +from .encoder import Encoder +from .sequence import StructureSequence + +def to_3di(array): + r""" + Encode the atoms to the 3di structure alphabet. + + Parameters + ---------- + atoms : AtomArray + The atom array to encode to 3di. All atoms must be part of + a single chain. + + Returns + ------- + sequence : StructureSequence + The encoded structure sequence. + + Note + ---- + To encode atoms in different chains, use :func:`apply_chain_wise` to + return a list with one sequence per chain. + """ + encoder = Encoder() + sequence = StructureSequence() + sequence.code = encoder.encode_atoms(array).filled() + return sequence diff --git a/tests/structure/data/1xso.pdb b/tests/structure/data/1xso.pdb deleted file mode 100644 index 54dbb8522..000000000 --- a/tests/structure/data/1xso.pdb +++ /dev/null @@ -1,3114 +0,0 @@ -HEADER OXIDOREDUCTASE (SUPEROXIDE ACCEPTOR) 14-MAR-95 1XSO -TITLE THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN SUPEROXIDE -TITLE 2 DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY AT 1.5 ANGSTROMS -TITLE 3 RESOLUTION -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: COPPER,ZINC SUPEROXIDE DISMUTASE; -COMPND 3 CHAIN: A, B; -COMPND 4 EC: 1.15.1.1; -COMPND 5 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; -SOURCE 3 ORGANISM_COMMON: AFRICAN CLAWED FROG; -SOURCE 4 ORGANISM_TAXID: 8355; -SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PKK233-2 TRC PROMOTER -KEYWDS OXIDOREDUCTASE (SUPEROXIDE ACCEPTOR) -EXPDTA X-RAY DIFFRACTION -AUTHOR K.DJINOVIC CARUGO,A.CODA,A.BATTISTONI,M.T.CARRI,F.POLTICELLI, -AUTHOR 2 A.DESIDERI,G.ROTILIO,K.S.WILSON,M.BOLOGNESI -REVDAT 5 14-AUG-19 1XSO 1 REMARK -REVDAT 4 17-JUL-19 1XSO 1 REMARK -REVDAT 3 24-FEB-09 1XSO 1 VERSN -REVDAT 2 03-MAY-99 1XSO 1 JRNL -REVDAT 1 10-JUL-95 1XSO 0 -JRNL AUTH K.DJINOVIC CARUGO,A.BATTISTONI,M.T.CARRI,F.POLTICELLI, -JRNL AUTH 2 A.DESIDERI,G.ROTILIO,A.CODA,K.S.WILSON,M.BOLOGNESI -JRNL TITL THREE-DIMENSIONAL STRUCTURE OF XENOPUS LAEVIS CU,ZN -JRNL TITL 2 SUPEROXIDE DISMUTASE B DETERMINED BY X-RAY CRYSTALLOGRAPHY -JRNL TITL 3 AT 1.5 A RESOLUTION. -JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 52 176 1996 -JRNL REFN ISSN 0907-4449 -JRNL PMID 15299740 -JRNL DOI 10.1107/S0907444995007608 -REMARK 1 -REMARK 1 REFERENCE 1 -REMARK 1 AUTH D.BORDO,K.DJINOVIC,K.M.BOLOGNESI -REMARK 1 TITL CONSERVED PATTERNS IN THE CU,ZN SUPEROXIDE DISMUTASE FAMILY -REMARK 1 REF J.MOL.BIOL. V. 238 366 1994 -REMARK 1 REFN ISSN 0022-2836 -REMARK 1 REFERENCE 2 -REMARK 1 AUTH K.DJINOVIC CARUGO,K.F.POLTICELLI,A.DESIDERI,G.ROTILIO, -REMARK 1 AUTH 2 K.S.WILSON,M.BOLOGNESI -REMARK 1 TITL CRYSTALLOGRAPHIC STUDY OF AZIDE-INHIBITED BOVINE CU,ZN -REMARK 1 TITL 2 SUPEROXIDE DISMUTASE -REMARK 1 REF J.MOL.BIOL. V. 240 179 1994 -REMARK 1 REFN ISSN 0022-2836 -REMARK 1 REFERENCE 3 -REMARK 1 AUTH K.DJINOVIC CARUGO,K.A.BATTISTONI,M.T.CARRI,F.POLTICELLI, -REMARK 1 AUTH 2 A.DESIDERI,G.ROTILIO,A.CODA,M.BOLOGNESI -REMARK 1 TITL CRYSTAL STRUCTURE OF THE CYANIDE-INHIBITED XENOPUS LAEVIS -REMARK 1 TITL 2 CU,ZN SUPEROXIDE DISMUTASE AT 98 K -REMARK 1 REF FEBS LETT. V. 349 93 1994 -REMARK 1 REFN ISSN 0014-5793 -REMARK 1 REFERENCE 4 -REMARK 1 AUTH K.DJINOVIC CARUGO,K.C.COLLYER,A.CODA,M.T.CARRI,A.BATTISTONI, -REMARK 1 AUTH 2 G.BOTARO,F.POLTICELLI,A.DESIDERI,M.BOLOGNESI -REMARK 1 TITL CRYSTALLISATION AND PRELIMINARY CRYSTALLOGRAPHIC ANALYSIS OF -REMARK 1 TITL 2 RECOMBINANT XENOPUS LAEVIS CU,ZN SUPEROXIDE DISMUTASE B -REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 194 1008 1993 -REMARK 1 REFN ISSN 0006-291X -REMARK 1 REFERENCE 5 -REMARK 1 AUTH K.DJINOVIC,G.GATTI,L.ANTOLINI,G.PELOSI,A.DESIDERI,M.FALCONI, -REMARK 1 AUTH 2 F.MARMOCCHI,G.ROTILIO,M.BOLOGNESI -REMARK 1 TITL CRYSTAL STRUCTURE OF YEAST CU,ZN SUPEROXIDE DISMUTASE -REMARK 1 REF J.MOL.BIOL. V. 225 791 1992 -REMARK 1 REFN ISSN 0022-2836 -REMARK 2 -REMARK 2 RESOLUTION. 1.49 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : SHELXL-93 -REMARK 3 AUTHORS : G.M.SHELDRICK -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.49 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : NULL -REMARK 3 CROSS-VALIDATION METHOD : NULL -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). -REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL -REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.104 -REMARK 3 FREE R VALUE (NO CUTOFF) : 0.169 -REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL -REMARK 3 -REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). -REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL -REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL -REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL -REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL -REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL -REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 2148 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 4 -REMARK 3 SOLVENT ATOMS : 350 -REMARK 3 -REMARK 3 MODEL REFINEMENT. -REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL -REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL -REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL -REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL -REMARK 3 NUMBER OF RESTRAINTS : NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. -REMARK 3 BOND LENGTHS (A) : 0.022 -REMARK 3 ANGLE DISTANCES (A) : NULL -REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL -REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL -REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL -REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL -REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL -REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL -REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL -REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL -REMARK 3 -REMARK 3 BULK SOLVENT MODELING. -REMARK 3 METHOD USED: NULL -REMARK 3 -REMARK 3 STEREOCHEMISTRY TARGET VALUES : NULL -REMARK 3 SPECIAL CASE: NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: RESIDUE 24 IS IN POOR ELECTRON DENSITY. -REMARK 4 -REMARK 4 1XSO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. -REMARK 100 THE DEPOSITION ID IS D_1000177308. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 18-AUG-93 -REMARK 200 TEMPERATURE (KELVIN) : NULL -REMARK 200 PH : NULL -REMARK 200 NUMBER OF CRYSTALS USED : NULL -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG -REMARK 200 BEAMLINE : X31 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL -REMARK 200 WAVELENGTH OR RANGE (A) : 0.92 -REMARK 200 MONOCHROMATOR : NULL -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : IMAGE PLATE -REMARK 200 DETECTOR MANUFACTURER : CUSTOM-MADE -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM -REMARK 200 DATA SCALING SOFTWARE : NULL -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 49209 -REMARK 200 RESOLUTION RANGE HIGH (A) : NULL -REMARK 200 RESOLUTION RANGE LOW (A) : NULL -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 98.8 -REMARK 200 DATA REDUNDANCY : 4.980 -REMARK 200 R MERGE (I) : 0.07800 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : NULL -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL -REMARK 200 COMPLETENESS FOR SHELL (%) : NULL -REMARK 200 DATA REDUNDANCY IN SHELL : NULL -REMARK 200 R MERGE FOR SHELL (I) : NULL -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: NULL -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL -REMARK 200 SOFTWARE USED: X-PLOR -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 49.36 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.43 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NULL -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 36.72500 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 29.38000 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.47000 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 29.38000 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 36.72500 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.47000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 300 REMARK: MTRIX -REMARK 300 THE TRANSFORMATIONS PRESENTED ON MTRIX RECORDS BELOW -REMARK 300 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG THE -REMARK 300 VARIOUS DOMAINS IN THIS ENTRY. APPLYING THE APPROPRIATE -REMARK 300 MTRIX TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL -REMARK 300 YIELD APPROXIMATE COORDINATES FOR THE RESIDUES LISTED -REMARK 300 SECOND. -REMARK 300 -REMARK 300 APPLIED TO TRANSFORMED TO -REMARK 300 MTRIX RESIDUES RESIDUES RMSD -REMARK 300 M1 A 2 .. A 151 B 2 .. B 151 0.279 -REMARK 300 -REMARK 300 CALCULATED FOR C-ALPHA ATOMS -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 TOTAL BURIED SURFACE AREA: 1590 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 13350 ANGSTROM**2 -REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -39.0 KCAL/MOL -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 480 -REMARK 480 ZERO OCCUPANCY ATOM -REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO -REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS -REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; -REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 480 M RES C SSEQI ATOMS -REMARK 480 LYS A 3 NZ -REMARK 480 LYS A 15 CD NZ -REMARK 480 GLN A 23 OE1 NE2 -REMARK 480 ASP A 24 CB -REMARK 480 GLU A 25 CB CG CD OE1 OE2 -REMARK 480 GLU A 34 CD OE1 OE2 -REMARK 480 MET A 56 CG -REMARK 480 GLN A 94 CG -REMARK 480 LYS A 105 CD -REMARK 480 LYS A 120 CE -REMARK 480 LYS A 126 CD CE NZ -REMARK 480 LYS B 3 NZ -REMARK 480 ASP B 13 OD2 -REMARK 480 LYS B 15 CE NZ -REMARK 480 GLN B 23 CG CD OE1 NE2 -REMARK 480 ASP B 24 CG OD1 OD2 -REMARK 480 GLU B 30 OE2 -REMARK 480 LYS B 32 NZ -REMARK 480 ASN B 66 ND2 -REMARK 480 LYS B 96 CD CE NZ -REMARK 480 LYS B 105 CD CE NZ -REMARK 480 LYS B 120 NZ -REMARK 480 LYS B 126 CE NZ -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 O HOH A 167 O HOH A 263 2.09 -REMARK 500 O HOH B 222 O HOH B 298 2.10 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION -REMARK 500 CYS A 6 CB CYS A 6 SG -0.103 -REMARK 500 CYS A 6 CB CYS A 6 SG -0.098 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 CYS A 6 N - CA - CB ANGL. DEV. = -11.1 DEGREES -REMARK 500 CYS A 6 N - CA - CB ANGL. DEV. = 14.2 DEGREES -REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES -REMARK 500 CYS B 6 CB - CA - C ANGL. DEV. = -13.7 DEGREES -REMARK 500 CYS B 6 N - CA - CB ANGL. DEV. = -19.0 DEGREES -REMARK 500 LEU B 8 N - CA - CB ANGL. DEV. = 12.5 DEGREES -REMARK 500 ASN B 51 CB - CA - C ANGL. DEV. = -16.1 DEGREES -REMARK 500 VAL B 92 N - CA - CB ANGL. DEV. = 16.0 DEGREES -REMARK 500 SER B 100 N - CA - CB ANGL. DEV. = 17.9 DEGREES -REMARK 500 ARG B 141 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES -REMARK 500 SER B 150 N - CA - CB ANGL. DEV. = -13.2 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ASP A 24 -138.67 56.46 -REMARK 500 ASN A 53 51.00 -115.30 -REMARK 500 ASP B 24 -136.64 50.71 -REMARK 500 ASN B 63 58.35 -145.86 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CU A 1 CU -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS A 118 NE2 -REMARK 620 2 HIS A 46 NE2 99.9 -REMARK 620 3 HIS A 44 ND1 90.6 139.7 -REMARK 620 4 HIS A 61 NE2 166.3 90.5 87.1 -REMARK 620 5 HOH A 167 O 87.3 100.6 118.8 82.0 -REMARK 620 N 1 2 3 4 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN A 152 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 ASP A 81 OD1 -REMARK 620 2 HIS A 78 ND1 112.3 -REMARK 620 3 HIS A 69 ND1 96.7 121.8 -REMARK 620 4 HIS A 61 ND1 105.0 109.4 109.9 -REMARK 620 N 1 2 3 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CU B 152 CU -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS B 44 ND1 -REMARK 620 2 HOH B 159 O 126.0 -REMARK 620 3 HOH B 154 O 89.0 38.4 -REMARK 620 4 HIS B 118 NE2 91.8 89.2 79.5 -REMARK 620 5 HIS B 61 NE2 86.4 80.7 86.7 166.1 -REMARK 620 6 HIS B 46 NE2 137.8 95.3 133.2 97.8 92.8 -REMARK 620 N 1 2 3 4 5 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 ZN B 153 ZN -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS B 69 ND1 -REMARK 620 2 HIS B 78 ND1 122.4 -REMARK 620 3 ASP B 81 OD1 97.2 111.2 -REMARK 620 4 HIS B 61 ND1 109.4 110.5 104.0 -REMARK 620 N 1 2 3 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: A -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 -REMARK 800 SITE_IDENTIFIER: B -REMARK 800 EVIDENCE_CODE: UNKNOWN -REMARK 800 SITE_DESCRIPTION: NULL -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU A 1 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 152 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CU B 152 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 153 -DBREF 1XSO A 2 151 UNP P15107 SODC2_XENLA 1 150 -DBREF 1XSO B 2 151 UNP P15107 SODC2_XENLA 1 150 -SEQADV 1XSO SER A 60 UNP P15107 PRO 60 CONFLICT -SEQADV 1XSO SER B 60 UNP P15107 PRO 60 CONFLICT -SEQRES 1 A 150 VAL LYS ALA VAL CYS VAL LEU ALA GLY SER GLY ASP VAL -SEQRES 2 A 150 LYS GLY VAL VAL HIS PHE GLU GLN GLN ASP GLU GLY ALA -SEQRES 3 A 150 VAL SER VAL GLU GLY LYS ILE GLU GLY LEU THR ASP GLY -SEQRES 4 A 150 LEU HIS GLY PHE HIS ILE HIS VAL PHE GLY ASP ASN THR -SEQRES 5 A 150 ASN GLY CYS MET SER ALA GLY SER HIS PHE ASN PRO GLU -SEQRES 6 A 150 ASN LYS ASN HIS GLY ALA PRO GLY ASP THR ASP ARG HIS -SEQRES 7 A 150 VAL GLY ASP LEU GLY ASN VAL THR ALA GLU GLY GLY VAL -SEQRES 8 A 150 ALA GLN PHE LYS ILE THR ASP SER LEU ILE SER LEU LYS -SEQRES 9 A 150 GLY PRO ASN SER ILE ILE GLY ARG THR ALA VAL VAL HIS -SEQRES 10 A 150 GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY ASN ASP GLU -SEQRES 11 A 150 SER LEU LYS THR GLY ASN ALA GLY GLY ARG LEU ALA CYS -SEQRES 12 A 150 GLY VAL ILE GLY TYR SER PRO -SEQRES 1 B 150 VAL LYS ALA VAL CYS VAL LEU ALA GLY SER GLY ASP VAL -SEQRES 2 B 150 LYS GLY VAL VAL HIS PHE GLU GLN GLN ASP GLU GLY ALA -SEQRES 3 B 150 VAL SER VAL GLU GLY LYS ILE GLU GLY LEU THR ASP GLY -SEQRES 4 B 150 LEU HIS GLY PHE HIS ILE HIS VAL PHE GLY ASP ASN THR -SEQRES 5 B 150 ASN GLY CYS MET SER ALA GLY SER HIS PHE ASN PRO GLU -SEQRES 6 B 150 ASN LYS ASN HIS GLY ALA PRO GLY ASP THR ASP ARG HIS -SEQRES 7 B 150 VAL GLY ASP LEU GLY ASN VAL THR ALA GLU GLY GLY VAL -SEQRES 8 B 150 ALA GLN PHE LYS ILE THR ASP SER LEU ILE SER LEU LYS -SEQRES 9 B 150 GLY PRO ASN SER ILE ILE GLY ARG THR ALA VAL VAL HIS -SEQRES 10 B 150 GLU LYS ALA ASP ASP LEU GLY LYS GLY GLY ASN ASP GLU -SEQRES 11 B 150 SER LEU LYS THR GLY ASN ALA GLY GLY ARG LEU ALA CYS -SEQRES 12 B 150 GLY VAL ILE GLY TYR SER PRO -HET CU A 1 1 -HET ZN A 152 1 -HET CU B 152 1 -HET ZN B 153 1 -HETNAM CU COPPER (II) ION -HETNAM ZN ZINC ION -FORMUL 3 CU 2(CU 2+) -FORMUL 4 ZN 2(ZN 2+) -FORMUL 7 HOH *350(H2 O) -HELIX 1 1 GLY A 54 ALA A 58 5 5 -HELIX 2 2 GLU A 131 THR A 135 5 5 -HELIX 3 3 GLY B 54 SER B 57 5 4 -HELIX 4 4 SER B 132 THR B 135 1 4 -SHEET 1 A 4 LYS A 3 LEU A 8 0 -SHEET 2 A 4 LYS A 15 GLN A 22 -1 N PHE A 20 O ALA A 4 -SHEET 3 A 4 VAL A 27 GLU A 34 -1 N GLU A 34 O LYS A 15 -SHEET 4 A 4 VAL A 92 ASP A 99 -1 N ASP A 99 O VAL A 27 -SHEET 1 B 2 GLY A 39 GLY A 42 0 -SHEET 2 B 2 ASN A 84 ALA A 87 -1 N ALA A 87 O GLY A 39 -SHEET 1 C 3 PHE A 43 HIS A 46 0 -SHEET 2 C 3 THR A 114 HIS A 118 -1 N VAL A 116 O HIS A 44 -SHEET 3 C 3 ARG A 141 VAL A 146 -1 N GLY A 145 O ALA A 115 -SHEET 1 D 4 LYS B 3 LEU B 8 0 -SHEET 2 D 4 LYS B 15 GLU B 21 -1 N PHE B 20 O ALA B 4 -SHEET 3 D 4 VAL B 27 GLU B 34 -1 N GLU B 34 O LYS B 15 -SHEET 4 D 4 VAL B 92 ASP B 99 -1 N ASP B 99 O VAL B 27 -SHEET 1 E 2 GLY B 39 GLY B 42 0 -SHEET 2 E 2 ASN B 84 ALA B 87 -1 N ALA B 87 O GLY B 39 -SHEET 1 F 3 PHE B 43 HIS B 46 0 -SHEET 2 F 3 THR B 114 HIS B 118 -1 N VAL B 116 O HIS B 44 -SHEET 3 F 3 ARG B 141 VAL B 146 -1 N GLY B 145 O ALA B 115 -SSBOND 1 CYS A 55 CYS A 144 1555 1555 2.02 -SSBOND 2 CYS B 55 CYS B 144 1555 1555 2.04 -LINK CU CU A 1 NE2 HIS A 118 1555 1555 2.11 -LINK CU CU A 1 NE2 HIS A 46 1555 1555 2.21 -LINK CU CU A 1 ND1 HIS A 44 1555 1555 2.00 -LINK CU CU A 1 NE2 HIS A 61 1555 1555 2.08 -LINK CU CU A 1 O HOH A 167 1555 1555 2.26 -LINK ZN ZN A 152 OD1 ASP A 81 1555 1555 2.00 -LINK ZN ZN A 152 ND1 HIS A 78 1555 1555 2.06 -LINK ZN ZN A 152 ND1 HIS A 69 1555 1555 2.07 -LINK ZN ZN A 152 ND1 HIS A 61 1555 1555 2.04 -LINK CU CU B 152 ND1 HIS B 44 1555 1555 2.02 -LINK CU CU B 152 O HOH B 159 1555 1555 2.40 -LINK CU CU B 152 O HOH B 154 1555 1555 2.49 -LINK CU CU B 152 NE2 HIS B 118 1555 1555 2.07 -LINK CU CU B 152 NE2 HIS B 61 1555 1555 2.08 -LINK CU CU B 152 NE2 HIS B 46 1555 1555 2.20 -LINK ZN ZN B 153 ND1 HIS B 69 1555 1555 2.04 -LINK ZN ZN B 153 ND1 HIS B 78 1555 1555 2.00 -LINK ZN ZN B 153 OD1 ASP B 81 1555 1555 1.97 -LINK ZN ZN B 153 ND1 HIS B 61 1555 1555 2.02 -SITE 1 A 9 HIS A 44 HIS A 46 HIS A 61 HIS A 118 -SITE 2 A 9 HIS A 69 HIS A 78 ASP A 81 CU A 1 -SITE 3 A 9 ZN A 152 -SITE 1 B 9 HIS B 44 HIS B 46 HIS B 61 HIS B 118 -SITE 2 B 9 HIS B 69 HIS B 78 ASP B 81 CU B 152 -SITE 3 B 9 ZN B 153 -SITE 1 AC1 5 HIS A 44 HIS A 46 HIS A 61 HIS A 118 -SITE 2 AC1 5 HOH A 167 -SITE 1 AC2 4 HIS A 61 HIS A 69 HIS A 78 ASP A 81 -SITE 1 AC3 6 HIS B 44 HIS B 46 HIS B 61 HIS B 118 -SITE 2 AC3 6 HOH B 154 HOH B 159 -SITE 1 AC4 4 HIS B 61 HIS B 69 HIS B 78 ASP B 81 -CRYST1 73.450 68.940 58.760 90.00 90.00 90.00 P 21 21 21 8 -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 -SCALE1 0.013615 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.014505 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.017018 0.00000 -MTRIX1 1 0.987830 -0.010290 -0.155220 1.43777 1 -MTRIX2 1 -0.008360 -0.999880 0.013070 33.15571 1 -MTRIX3 1 -0.155330 -0.011610 -0.987790 17.07902 1 -ATOM 1 N VAL A 2 34.073 13.737 -6.547 1.00 28.31 N -ATOM 2 CA VAL A 2 33.152 13.559 -5.393 1.00 23.48 C -ATOM 3 C VAL A 2 31.781 14.171 -5.689 1.00 16.45 C -ATOM 4 O VAL A 2 31.715 15.192 -6.369 1.00 16.89 O -ATOM 5 CB VAL A 2 33.724 14.108 -4.107 1.00 35.69 C -ATOM 6 CG1 VAL A 2 34.755 15.173 -4.267 1.00 50.19 C -ATOM 7 CG2 VAL A 2 32.642 14.513 -3.113 1.00 52.13 C -ATOM 8 N LYS A 3 30.706 13.614 -5.155 1.00 15.93 N -ATOM 9 CA LYS A 3 29.362 14.134 -5.338 1.00 13.50 C -ATOM 10 C LYS A 3 28.720 14.319 -3.952 1.00 12.18 C -ATOM 11 O LYS A 3 28.982 13.552 -3.017 1.00 13.42 O -ATOM 12 CB LYS A 3 28.527 13.141 -6.151 1.00 18.20 C -ATOM 13 CG LYS A 3 29.001 12.987 -7.623 1.00 24.30 C -ATOM 14 CD LYS A 3 28.217 11.853 -8.317 1.00 35.54 C -ATOM 15 CE LYS A 3 27.014 12.388 -9.057 1.00 46.02 C -ATOM 16 NZ LYS A 3 26.177 11.303 -9.644 0.00 45.92 N -ATOM 17 N ALA A 4 27.868 15.333 -3.851 1.00 12.48 N -ATOM 18 CA ALA A 4 27.168 15.609 -2.628 1.00 9.38 C -ATOM 19 C ALA A 4 25.731 16.038 -2.980 1.00 9.15 C -ATOM 20 O ALA A 4 25.441 16.334 -4.144 1.00 10.93 O -ATOM 21 CB ALA A 4 27.866 16.655 -1.813 1.00 13.10 C -ATOM 22 N VAL A 5 24.861 16.030 -1.995 1.00 10.24 N -ATOM 23 CA VAL A 5 23.437 16.346 -2.221 1.00 9.05 C -ATOM 24 C VAL A 5 22.881 16.966 -0.919 1.00 9.05 C -ATOM 25 O VAL A 5 23.397 16.751 0.149 1.00 9.56 O -ATOM 26 CB VAL A 5 22.638 15.103 -2.622 1.00 9.69 C -ATOM 27 CG1 VAL A 5 22.540 14.074 -1.490 1.00 13.37 C -ATOM 28 CG2 VAL A 5 21.263 15.376 -3.188 1.00 14.22 C -ATOM 29 N CYS A 6 21.789 17.734 -1.084 1.00 10.15 N -ATOM 30 CA CYS A 6 21.056 18.270 0.063 1.00 10.03 C -ATOM 31 C CYS A 6 19.554 18.254 -0.260 1.00 10.30 C -ATOM 32 O CYS A 6 19.224 18.572 -1.405 1.00 11.96 O -ATOM 33 CB ACYS A 6 21.438 19.816 -0.079 0.50 12.85 C -ATOM 34 CB BCYS A 6 21.428 19.604 0.838 0.50 8.66 C -ATOM 35 SG ACYS A 6 20.948 20.797 1.232 0.50 17.76 S -ATOM 36 SG BCYS A 6 21.325 20.953 -0.214 0.50 11.63 S -ATOM 37 N VAL A 7 18.749 17.919 0.704 1.00 11.12 N -ATOM 38 CA VAL A 7 17.293 18.033 0.592 1.00 9.89 C -ATOM 39 C VAL A 7 16.860 19.252 1.455 1.00 9.75 C -ATOM 40 O VAL A 7 17.198 19.288 2.636 1.00 12.42 O -ATOM 41 CB VAL A 7 16.620 16.787 1.095 1.00 12.30 C -ATOM 42 CG1 VAL A 7 15.120 16.901 1.105 1.00 18.01 C -ATOM 43 CG2 VAL A 7 17.101 15.587 0.215 1.00 18.15 C -ATOM 44 N LEU A 8 16.239 20.231 0.812 1.00 10.55 N -ATOM 45 CA LEU A 8 15.809 21.425 1.471 1.00 11.20 C -ATOM 46 C LEU A 8 14.346 21.278 1.936 1.00 10.03 C -ATOM 47 O LEU A 8 13.468 20.828 1.206 1.00 16.00 O -ATOM 48 CB ALEU A 8 15.930 22.698 0.630 0.50 14.60 C -ATOM 49 CB BLEU A 8 15.816 22.579 0.453 0.50 14.13 C -ATOM 50 CG ALEU A 8 17.352 23.247 0.421 0.50 14.79 C -ATOM 51 CG BLEU A 8 17.154 22.859 -0.252 0.50 11.84 C -ATOM 52 CD1ALEU A 8 18.066 22.421 -0.650 0.50 18.64 C -ATOM 53 CD1BLEU A 8 16.971 23.972 -1.288 0.50 10.45 C -ATOM 54 CD2ALEU A 8 17.328 24.688 -0.052 0.50 24.54 C -ATOM 55 CD2BLEU A 8 18.209 23.329 0.737 0.50 12.11 C -ATOM 56 N ALA A 9 14.122 21.661 3.169 1.00 11.64 N -ATOM 57 CA ALA A 9 12.844 21.656 3.818 1.00 12.96 C -ATOM 58 C ALA A 9 12.792 22.775 4.845 1.00 13.33 C -ATOM 59 O ALA A 9 13.835 23.229 5.310 1.00 13.60 O -ATOM 60 CB ALA A 9 12.533 20.319 4.455 1.00 19.38 C -ATOM 61 N GLY A 10 11.572 23.166 5.206 1.00 16.05 N -ATOM 62 CA GLY A 10 11.401 24.215 6.207 1.00 17.91 C -ATOM 63 C GLY A 10 10.076 24.122 6.899 1.00 20.95 C -ATOM 64 O GLY A 10 9.398 23.074 6.829 1.00 30.35 O -ATOM 65 N SER A 11 9.660 25.230 7.515 1.00 28.90 N -ATOM 66 CA SER A 11 8.473 25.378 8.288 1.00 33.67 C -ATOM 67 C SER A 11 7.214 25.473 7.423 1.00 32.38 C -ATOM 68 O SER A 11 6.097 25.320 7.934 1.00 44.38 O -ATOM 69 CB SER A 11 8.537 26.658 9.182 1.00 40.97 C -ATOM 70 OG SER A 11 9.631 27.484 8.718 1.00 70.77 O -ATOM 71 N GLY A 12 7.396 25.735 6.144 1.00 29.99 N -ATOM 72 CA GLY A 12 6.269 25.847 5.235 1.00 28.31 C -ATOM 73 C GLY A 12 6.374 24.777 4.126 1.00 29.84 C -ATOM 74 O GLY A 12 6.829 23.674 4.348 1.00 36.56 O -ATOM 75 N ASP A 13 5.937 25.177 2.947 1.00 29.43 N -ATOM 76 CA ASP A 13 5.815 24.354 1.792 1.00 27.65 C -ATOM 77 C ASP A 13 6.961 24.412 0.823 1.00 22.64 C -ATOM 78 O ASP A 13 6.916 23.836 -0.259 1.00 32.78 O -ATOM 79 CB ASP A 13 4.480 24.548 1.083 1.00 35.38 C -ATOM 80 CG ASP A 13 3.347 23.837 1.819 1.00 45.27 C -ATOM 81 OD1 ASP A 13 2.763 24.428 2.733 1.00 58.41 O -ATOM 82 OD2 ASP A 13 3.046 22.688 1.420 1.00 64.46 O -ATOM 83 N VAL A 14 7.971 25.197 1.176 1.00 18.76 N -ATOM 84 CA VAL A 14 9.131 25.297 0.270 1.00 13.82 C -ATOM 85 C VAL A 14 9.987 24.060 0.436 1.00 15.52 C -ATOM 86 O VAL A 14 10.393 23.643 1.515 1.00 17.81 O -ATOM 87 CB VAL A 14 9.948 26.548 0.611 1.00 15.19 C -ATOM 88 CG1 VAL A 14 11.191 26.592 -0.283 1.00 18.65 C -ATOM 89 CG2 VAL A 14 9.135 27.799 0.543 1.00 20.10 C -ATOM 90 N LYS A 15 10.319 23.403 -0.694 1.00 15.51 N -ATOM 91 CA LYS A 15 11.115 22.187 -0.632 1.00 16.83 C -ATOM 92 C LYS A 15 11.943 22.088 -1.912 1.00 14.44 C -ATOM 93 O LYS A 15 11.611 22.688 -2.932 1.00 21.04 O -ATOM 94 CB LYS A 15 10.150 20.975 -0.540 1.00 19.63 C -ATOM 95 CG LYS A 15 9.272 20.844 -1.774 1.00 30.40 C -ATOM 96 CD LYS A 15 8.392 19.604 -1.697 0.00 40.98 C -ATOM 97 CE LYS A 15 8.319 18.890 -3.040 1.00 50.85 C -ATOM 98 NZ LYS A 15 6.911 18.619 -3.443 0.00 51.06 N -ATOM 99 N GLY A 16 13.048 21.336 -1.855 1.00 14.81 N -ATOM 100 CA GLY A 16 13.847 21.198 -3.088 1.00 16.73 C -ATOM 101 C GLY A 16 14.993 20.218 -2.881 1.00 12.41 C -ATOM 102 O GLY A 16 15.118 19.629 -1.798 1.00 13.92 O -ATOM 103 N VAL A 17 15.777 20.067 -3.917 1.00 11.00 N -ATOM 104 CA VAL A 17 16.936 19.211 -3.933 1.00 12.41 C -ATOM 105 C VAL A 17 18.055 19.934 -4.702 1.00 9.37 C -ATOM 106 O VAL A 17 17.836 20.513 -5.742 1.00 13.60 O -ATOM 107 CB VAL A 17 16.635 17.858 -4.617 1.00 16.16 C -ATOM 108 CG1 VAL A 17 17.933 16.983 -4.557 1.00 21.33 C -ATOM 109 CG2 VAL A 17 15.541 17.118 -3.839 1.00 19.65 C -ATOM 110 N VAL A 18 19.260 19.869 -4.148 1.00 9.94 N -ATOM 111 CA VAL A 18 20.416 20.485 -4.798 1.00 9.53 C -ATOM 112 C VAL A 18 21.530 19.434 -4.890 1.00 11.28 C -ATOM 113 O VAL A 18 21.787 18.785 -3.871 1.00 12.29 O -ATOM 114 CB VAL A 18 20.914 21.712 -4.106 1.00 12.36 C -ATOM 115 CG1 VAL A 18 22.092 22.387 -4.836 1.00 14.34 C -ATOM 116 CG2 VAL A 18 19.804 22.705 -3.841 1.00 17.74 C -ATOM 117 N HIS A 19 22.094 19.284 -6.044 1.00 11.05 N -ATOM 118 CA HIS A 19 23.225 18.356 -6.269 1.00 10.79 C -ATOM 119 C HIS A 19 24.527 19.153 -6.473 1.00 11.77 C -ATOM 120 O HIS A 19 24.547 20.205 -7.093 1.00 13.93 O -ATOM 121 CB HIS A 19 22.906 17.530 -7.527 1.00 18.16 C -ATOM 122 CG HIS A 19 21.858 16.494 -7.322 1.00 26.17 C -ATOM 123 ND1 HIS A 19 22.149 15.200 -6.888 1.00 28.19 N -ATOM 124 CD2 HIS A 19 20.525 16.560 -7.452 1.00 32.51 C -ATOM 125 CE1 HIS A 19 21.056 14.541 -6.758 1.00 32.39 C -ATOM 126 NE2 HIS A 19 20.028 15.310 -7.102 1.00 34.60 N -ATOM 127 N PHE A 20 25.624 18.585 -6.022 1.00 9.83 N -ATOM 128 CA PHE A 20 26.968 19.172 -6.100 1.00 12.03 C -ATOM 129 C PHE A 20 27.942 18.147 -6.687 1.00 9.07 C -ATOM 130 O PHE A 20 27.894 16.986 -6.255 1.00 14.12 O -ATOM 131 CB PHE A 20 27.515 19.547 -4.693 1.00 12.18 C -ATOM 132 CG PHE A 20 26.653 20.512 -3.924 1.00 11.00 C -ATOM 133 CD1 PHE A 20 25.616 20.065 -3.140 1.00 12.47 C -ATOM 134 CD2 PHE A 20 26.878 21.873 -3.975 1.00 13.18 C -ATOM 135 CE1 PHE A 20 24.793 20.939 -2.448 1.00 16.60 C -ATOM 136 CE2 PHE A 20 26.087 22.766 -3.255 1.00 14.69 C -ATOM 137 CZ PHE A 20 25.058 22.309 -2.487 1.00 14.50 C -ATOM 138 N GLU A 21 28.823 18.552 -7.570 1.00 12.83 N -ATOM 139 CA GLU A 21 29.844 17.619 -8.065 1.00 14.69 C -ATOM 140 C GLU A 21 31.164 18.352 -8.312 1.00 13.97 C -ATOM 141 O GLU A 21 31.149 19.496 -8.796 1.00 15.94 O -ATOM 142 CB GLU A 21 29.326 16.999 -9.393 1.00 20.69 C -ATOM 143 CG GLU A 21 30.257 16.013 -10.048 1.00 29.92 C -ATOM 144 CD GLU A 21 29.536 15.164 -11.106 1.00 41.21 C -ATOM 145 OE1 GLU A 21 28.388 15.478 -11.456 1.00 52.62 O -ATOM 146 OE2 GLU A 21 30.164 14.178 -11.578 1.00 52.64 O -ATOM 147 N GLN A 22 32.268 17.697 -8.014 1.00 15.32 N -ATOM 148 CA GLN A 22 33.617 18.261 -8.189 1.00 14.46 C -ATOM 149 C GLN A 22 34.546 17.130 -8.669 1.00 18.34 C -ATOM 150 O GLN A 22 34.525 16.056 -8.055 1.00 20.98 O -ATOM 151 CB GLN A 22 34.120 18.672 -6.771 1.00 15.81 C -ATOM 152 CG GLN A 22 35.452 19.443 -6.847 1.00 17.90 C -ATOM 153 CD GLN A 22 35.878 19.981 -5.501 1.00 14.30 C -ATOM 154 OE1 GLN A 22 35.529 19.359 -4.472 1.00 18.17 O -ATOM 155 NE2 GLN A 22 36.611 21.049 -5.457 1.00 20.19 N -ATOM 156 N GLN A 23 35.390 17.434 -9.608 1.00 23.46 N -ATOM 157 CA GLN A 23 36.458 16.472 -10.044 1.00 35.24 C -ATOM 158 C GLN A 23 37.800 17.106 -9.624 1.00 40.86 C -ATOM 159 O GLN A 23 37.933 18.327 -9.780 1.00 42.23 O -ATOM 160 CB GLN A 23 36.449 16.399 -11.583 1.00 43.56 C -ATOM 161 CG GLN A 23 35.070 16.023 -12.141 1.00 58.92 C -ATOM 162 CD GLN A 23 34.638 14.646 -11.665 1.00 65.75 C -ATOM 163 OE1 GLN A 23 34.824 14.293 -10.504 0.00 63.64 O -ATOM 164 NE2 GLN A 23 34.062 13.867 -12.568 0.00 67.55 N -ATOM 165 N ASP A 24 38.709 16.324 -9.102 1.00 49.68 N -ATOM 166 CA ASP A 24 39.992 16.859 -8.599 1.00 54.75 C -ATOM 167 C ASP A 24 39.708 17.933 -7.547 1.00 51.49 C -ATOM 168 O ASP A 24 38.788 17.754 -6.731 1.00 44.08 O -ATOM 169 CB ASP A 24 40.923 17.294 -9.667 0.00 61.28 C -ATOM 170 CG ASP A 24 40.415 18.040 -10.847 1.00 67.23 C -ATOM 171 OD1 ASP A 24 39.675 17.468 -11.693 1.00 88.65 O -ATOM 172 OD2 ASP A 24 40.826 19.230 -11.048 1.00 82.64 O -ATOM 173 N GLU A 25 40.443 19.021 -7.568 1.00 47.81 N -ATOM 174 CA GLU A 25 40.160 20.153 -6.631 1.00 42.14 C -ATOM 175 C GLU A 25 39.675 21.334 -7.469 1.00 36.95 C -ATOM 176 O GLU A 25 39.955 22.496 -7.223 1.00 45.86 O -ATOM 177 CB GLU A 25 41.460 20.522 -5.912 0.00 41.53 C -ATOM 178 CG GLU A 25 42.518 19.432 -5.947 0.00 41.54 C -ATOM 179 CD GLU A 25 43.919 19.983 -6.125 0.00 41.41 C -ATOM 180 OE1 GLU A 25 44.311 20.257 -7.279 0.00 41.37 O -ATOM 181 OE2 GLU A 25 44.629 20.145 -5.110 0.00 41.34 O -ATOM 182 N GLY A 25A 38.940 21.006 -8.547 1.00 35.16 N -ATOM 183 CA GLY A 25A 38.466 22.062 -9.438 1.00 30.84 C -ATOM 184 C GLY A 25A 37.135 22.649 -9.008 1.00 26.52 C -ATOM 185 O GLY A 25A 36.678 22.555 -7.874 1.00 24.92 O -ATOM 186 N ALA A 26 36.494 23.327 -9.945 1.00 21.09 N -ATOM 187 CA ALA A 26 35.247 23.996 -9.627 1.00 18.86 C -ATOM 188 C ALA A 26 34.175 23.013 -9.279 1.00 17.00 C -ATOM 189 O ALA A 26 34.135 21.860 -9.696 1.00 23.20 O -ATOM 190 CB ALA A 26 34.834 24.884 -10.819 1.00 24.73 C -ATOM 191 N VAL A 27 33.241 23.494 -8.492 1.00 13.48 N -ATOM 192 CA VAL A 27 32.081 22.686 -8.152 1.00 14.56 C -ATOM 193 C VAL A 27 30.869 23.108 -9.008 1.00 14.24 C -ATOM 194 O VAL A 27 30.552 24.277 -9.114 1.00 15.24 O -ATOM 195 CB VAL A 27 31.716 22.923 -6.662 1.00 13.92 C -ATOM 196 CG1 VAL A 27 30.493 22.048 -6.301 1.00 19.33 C -ATOM 197 CG2 VAL A 27 32.934 22.549 -5.797 1.00 15.63 C -ATOM 198 N SER A 28 30.220 22.107 -9.575 1.00 13.48 N -ATOM 199 CA SER A 28 28.974 22.252 -10.310 1.00 14.67 C -ATOM 200 C SER A 28 27.792 22.043 -9.351 1.00 13.93 C -ATOM 201 O SER A 28 27.756 21.094 -8.573 1.00 17.34 O -ATOM 202 CB ASER A 28 28.919 21.102 -11.356 0.50 18.05 C -ATOM 203 CB BSER A 28 28.625 21.232 -11.423 0.50 19.06 C -ATOM 204 OG ASER A 28 27.816 21.279 -12.203 0.50 28.68 O -ATOM 205 OG BSER A 28 29.592 21.274 -12.431 0.50 24.87 O -ATOM 206 N VAL A 29 26.853 23.000 -9.328 1.00 13.74 N -ATOM 207 CA VAL A 29 25.682 23.053 -8.496 1.00 15.89 C -ATOM 208 C VAL A 29 24.422 23.104 -9.380 1.00 15.59 C -ATOM 209 O VAL A 29 24.280 23.971 -10.198 1.00 20.04 O -ATOM 210 CB VAL A 29 25.674 24.355 -7.628 1.00 16.00 C -ATOM 211 CG1 VAL A 29 24.518 24.277 -6.622 1.00 19.58 C -ATOM 212 CG2 VAL A 29 27.001 24.399 -6.810 1.00 15.89 C -ATOM 213 N GLU A 30 23.571 22.077 -9.172 1.00 13.64 N -ATOM 214 CA GLU A 30 22.334 22.000 -9.928 1.00 12.63 C -ATOM 215 C GLU A 30 21.185 21.737 -8.935 1.00 13.05 C -ATOM 216 O GLU A 30 21.220 20.787 -8.166 1.00 15.94 O -ATOM 217 CB GLU A 30 22.355 20.776 -10.883 1.00 21.60 C -ATOM 218 CG GLU A 30 23.527 20.738 -11.775 1.00 37.75 C -ATOM 219 CD GLU A 30 23.374 19.702 -12.892 1.00 53.71 C -ATOM 220 OE1 GLU A 30 22.209 19.456 -13.270 1.00 67.15 O -ATOM 221 OE2 GLU A 30 24.415 19.197 -13.327 1.00 79.49 O -ATOM 222 N GLY A 31 20.151 22.550 -9.031 1.00 12.66 N -ATOM 223 CA GLY A 31 19.066 22.396 -8.129 1.00 15.87 C -ATOM 224 C GLY A 31 17.707 22.763 -8.686 1.00 13.13 C -ATOM 225 O GLY A 31 17.637 23.455 -9.703 1.00 14.30 O -ATOM 226 N LYS A 32 16.679 22.375 -7.937 1.00 11.52 N -ATOM 227 CA LYS A 32 15.275 22.688 -8.200 1.00 11.89 C -ATOM 228 C LYS A 32 14.603 22.912 -6.843 1.00 10.60 C -ATOM 229 O LYS A 32 14.725 22.096 -5.939 1.00 14.62 O -ATOM 230 CB LYS A 32 14.527 21.623 -8.979 1.00 16.47 C -ATOM 231 CG LYS A 32 13.091 21.888 -9.238 1.00 23.20 C -ATOM 232 CD LYS A 32 12.425 20.818 -10.112 1.00 36.35 C -ATOM 233 CE LYS A 32 11.137 21.392 -10.713 1.00 46.45 C -ATOM 234 NZ LYS A 32 10.244 20.389 -11.350 1.00 52.66 N -ATOM 235 N ILE A 33 13.985 24.065 -6.724 1.00 13.16 N -ATOM 236 CA ILE A 33 13.292 24.464 -5.502 1.00 12.00 C -ATOM 237 C ILE A 33 11.876 24.938 -5.898 1.00 11.66 C -ATOM 238 O ILE A 33 11.722 25.687 -6.806 1.00 17.40 O -ATOM 239 CB ILE A 33 14.019 25.637 -4.806 1.00 14.47 C -ATOM 240 CG1 ILE A 33 15.499 25.286 -4.570 1.00 15.29 C -ATOM 241 CG2 ILE A 33 13.354 25.923 -3.451 1.00 16.22 C -ATOM 242 CD1 ILE A 33 16.325 26.397 -4.014 1.00 20.57 C -ATOM 243 N GLU A 34 10.915 24.351 -5.200 1.00 14.07 N -ATOM 244 CA GLU A 34 9.517 24.617 -5.408 1.00 13.72 C -ATOM 245 C GLU A 34 8.885 25.324 -4.213 1.00 14.55 C -ATOM 246 O GLU A 34 9.198 25.122 -3.064 1.00 17.60 O -ATOM 247 CB GLU A 34 8.752 23.337 -5.733 1.00 20.88 C -ATOM 248 CG GLU A 34 9.372 22.507 -6.852 1.00 26.88 C -ATOM 249 CD GLU A 34 8.591 21.241 -7.134 0.00 25.76 C -ATOM 250 OE1 GLU A 34 8.356 20.463 -6.185 0.00 24.87 O -ATOM 251 OE2 GLU A 34 8.210 21.023 -8.302 0.00 26.52 O -ATOM 252 N GLY A 35 7.880 26.181 -4.501 1.00 14.08 N -ATOM 253 CA GLY A 35 7.135 26.860 -3.516 1.00 14.78 C -ATOM 254 C GLY A 35 7.550 28.296 -3.223 1.00 14.10 C -ATOM 255 O GLY A 35 7.143 28.860 -2.249 1.00 21.11 O -ATOM 256 N LEU A 36 8.418 28.817 -4.084 1.00 14.63 N -ATOM 257 CA LEU A 36 8.955 30.170 -3.923 1.00 13.64 C -ATOM 258 C LEU A 36 8.065 31.187 -4.602 1.00 15.15 C -ATOM 259 O LEU A 36 7.545 30.960 -5.681 1.00 20.62 O -ATOM 260 CB LEU A 36 10.356 30.233 -4.559 1.00 14.53 C -ATOM 261 CG LEU A 36 11.472 29.488 -3.853 1.00 15.36 C -ATOM 262 CD1 LEU A 36 12.754 29.551 -4.767 1.00 19.87 C -ATOM 263 CD2 LEU A 36 11.763 29.981 -2.500 1.00 19.00 C -ATOM 264 N THR A 37 8.000 32.401 -4.001 1.00 16.35 N -ATOM 265 CA THR A 37 7.339 33.492 -4.704 1.00 16.22 C -ATOM 266 C THR A 37 8.194 34.012 -5.839 1.00 15.95 C -ATOM 267 O THR A 37 9.448 33.928 -5.838 1.00 16.15 O -ATOM 268 CB THR A 37 7.109 34.676 -3.710 1.00 19.97 C -ATOM 269 OG1 THR A 37 8.377 35.021 -3.155 1.00 23.88 O -ATOM 270 CG2 THR A 37 6.200 34.266 -2.594 1.00 24.92 C -ATOM 271 N ASP A 38 7.546 34.568 -6.867 1.00 19.16 N -ATOM 272 CA ASP A 38 8.308 35.014 -8.001 1.00 22.61 C -ATOM 273 C ASP A 38 9.339 36.041 -7.701 1.00 17.57 C -ATOM 274 O ASP A 38 9.159 36.923 -6.846 1.00 23.13 O -ATOM 275 CB ASP A 38 7.509 35.148 -9.256 1.00 36.18 C -ATOM 276 CG ASP A 38 6.883 33.831 -9.720 1.00 49.47 C -ATOM 277 OD1 ASP A 38 7.009 32.743 -9.035 1.00 39.78 O -ATOM 278 OD2 ASP A 38 6.220 33.846 -10.792 1.00 62.48 O -ATOM 279 N GLY A 39 10.490 35.929 -8.350 1.00 17.35 N -ATOM 280 CA GLY A 39 11.586 36.872 -8.187 1.00 15.43 C -ATOM 281 C GLY A 39 12.854 36.206 -7.676 1.00 12.34 C -ATOM 282 O GLY A 39 13.046 34.993 -7.688 1.00 14.36 O -ATOM 283 N LEU A 40 13.754 37.059 -7.186 1.00 13.11 N -ATOM 284 CA LEU A 40 15.022 36.658 -6.659 1.00 11.54 C -ATOM 285 C LEU A 40 14.976 36.238 -5.213 1.00 9.99 C -ATOM 286 O LEU A 40 14.348 36.872 -4.379 1.00 15.10 O -ATOM 287 CB LEU A 40 16.065 37.761 -6.840 1.00 15.19 C -ATOM 288 CG LEU A 40 16.432 38.261 -8.189 1.00 21.10 C -ATOM 289 CD1 LEU A 40 17.336 39.453 -8.188 1.00 27.72 C -ATOM 290 CD2 LEU A 40 16.846 37.250 -9.210 1.00 32.89 C -ATOM 291 N HIS A 41 15.717 35.160 -4.931 1.00 10.07 N -ATOM 292 CA HIS A 41 15.914 34.644 -3.612 1.00 10.05 C -ATOM 293 C HIS A 41 17.386 34.282 -3.367 1.00 8.36 C -ATOM 294 O HIS A 41 18.015 33.572 -4.158 1.00 10.78 O -ATOM 295 CB HIS A 41 15.089 33.373 -3.411 1.00 11.44 C -ATOM 296 CG HIS A 41 13.587 33.619 -3.505 1.00 11.15 C -ATOM 297 ND1 HIS A 41 12.813 33.864 -2.376 1.00 13.52 N -ATOM 298 CD2 HIS A 41 12.741 33.657 -4.566 1.00 13.29 C -ATOM 299 CE1 HIS A 41 11.563 34.039 -2.768 1.00 16.05 C -ATOM 300 NE2 HIS A 41 11.504 33.918 -4.071 1.00 14.57 N -ATOM 301 N GLY A 42 17.910 34.771 -2.254 1.00 10.04 N -ATOM 302 CA GLY A 42 19.305 34.506 -1.858 1.00 8.54 C -ATOM 303 C GLY A 42 19.494 33.006 -1.591 1.00 7.85 C -ATOM 304 O GLY A 42 18.612 32.343 -1.030 1.00 11.97 O -ATOM 305 N PHE A 43 20.651 32.517 -2.006 1.00 9.99 N -ATOM 306 CA PHE A 43 21.033 31.101 -1.845 1.00 9.08 C -ATOM 307 C PHE A 43 22.482 31.020 -1.343 1.00 7.92 C -ATOM 308 O PHE A 43 23.420 31.451 -2.006 1.00 10.45 O -ATOM 309 CB PHE A 43 20.897 30.380 -3.183 1.00 11.35 C -ATOM 310 CG PHE A 43 21.178 28.885 -3.080 1.00 11.73 C -ATOM 311 CD1 PHE A 43 20.268 28.045 -2.428 1.00 16.15 C -ATOM 312 CD2 PHE A 43 22.346 28.361 -3.635 1.00 15.32 C -ATOM 313 CE1 PHE A 43 20.528 26.673 -2.337 1.00 21.43 C -ATOM 314 CE2 PHE A 43 22.607 26.990 -3.545 1.00 20.52 C -ATOM 315 CZ PHE A 43 21.698 26.145 -2.897 1.00 19.52 C -ATOM 316 N HIS A 44 22.597 30.532 -0.101 1.00 7.72 N -ATOM 317 CA HIS A 44 23.861 30.583 0.585 1.00 8.00 C -ATOM 318 C HIS A 44 24.144 29.271 1.371 1.00 8.78 C -ATOM 319 O HIS A 44 23.273 28.545 1.743 1.00 9.64 O -ATOM 320 CB HIS A 44 23.787 31.661 1.693 1.00 11.03 C -ATOM 321 CG HIS A 44 23.347 33.000 1.252 1.00 9.11 C -ATOM 322 ND1 HIS A 44 22.568 33.796 2.061 1.00 9.47 N -ATOM 323 CD2 HIS A 44 23.545 33.698 0.129 1.00 10.66 C -ATOM 324 CE1 HIS A 44 22.346 34.947 1.443 1.00 11.24 C -ATOM 325 NE2 HIS A 44 22.935 34.918 0.257 1.00 9.90 N -ATOM 326 N ILE A 45 25.462 29.106 1.626 1.00 6.76 N -ATOM 327 CA ILE A 45 25.920 28.060 2.512 1.00 7.78 C -ATOM 328 C ILE A 45 26.203 28.660 3.898 1.00 5.66 C -ATOM 329 O ILE A 45 27.050 29.568 4.003 1.00 7.89 O -ATOM 330 CB ILE A 45 27.198 27.349 2.008 1.00 7.86 C -ATOM 331 CG1 ILE A 45 27.106 26.916 0.546 1.00 10.22 C -ATOM 332 CG2 ILE A 45 27.457 26.174 2.934 1.00 10.80 C -ATOM 333 CD1 ILE A 45 26.003 26.010 0.152 1.00 13.89 C -ATOM 334 N HIS A 46 25.473 28.222 4.892 1.00 7.37 N -ATOM 335 CA HIS A 46 25.677 28.668 6.268 1.00 8.81 C -ATOM 336 C HIS A 46 26.580 27.696 6.983 1.00 7.00 C -ATOM 337 O HIS A 46 26.674 26.533 6.577 1.00 9.29 O -ATOM 338 CB HIS A 46 24.304 28.876 6.970 1.00 8.76 C -ATOM 339 CG HIS A 46 23.575 30.111 6.514 1.00 9.08 C -ATOM 340 ND1 HIS A 46 23.154 31.083 7.353 1.00 10.97 N -ATOM 341 CD2 HIS A 46 23.183 30.504 5.300 1.00 9.22 C -ATOM 342 CE1 HIS A 46 22.554 32.042 6.698 1.00 11.61 C -ATOM 343 NE2 HIS A 46 22.571 31.727 5.424 1.00 7.27 N -ATOM 344 N VAL A 47 27.262 28.095 8.040 1.00 7.16 N -ATOM 345 CA VAL A 47 28.366 27.384 8.627 1.00 6.48 C -ATOM 346 C VAL A 47 28.103 26.059 9.256 1.00 8.62 C -ATOM 347 O VAL A 47 28.910 25.105 9.166 1.00 9.92 O -ATOM 348 CB VAL A 47 29.186 28.253 9.592 1.00 10.22 C -ATOM 349 CG1 VAL A 47 28.401 28.919 10.648 1.00 13.60 C -ATOM 350 CG2 VAL A 47 30.446 27.644 10.046 1.00 12.50 C -ATOM 351 N PHE A 48 27.029 25.952 10.048 1.00 8.76 N -ATOM 352 CA PHE A 48 26.737 24.755 10.797 1.00 8.59 C -ATOM 353 C PHE A 48 25.726 23.845 10.074 1.00 8.05 C -ATOM 354 O PHE A 48 24.760 24.374 9.494 1.00 13.24 O -ATOM 355 CB PHE A 48 26.270 25.036 12.241 1.00 10.09 C -ATOM 356 CG PHE A 48 27.308 25.810 13.050 1.00 11.14 C -ATOM 357 CD1 PHE A 48 28.519 25.208 13.344 1.00 15.21 C -ATOM 358 CD2 PHE A 48 27.056 27.086 13.511 1.00 17.08 C -ATOM 359 CE1 PHE A 48 29.488 25.880 14.043 1.00 19.27 C -ATOM 360 CE2 PHE A 48 27.993 27.730 14.323 1.00 21.94 C -ATOM 361 CZ PHE A 48 29.234 27.186 14.496 1.00 22.53 C -ATOM 362 N GLY A 49 25.890 22.564 10.189 1.00 8.31 N -ATOM 363 CA GLY A 49 24.971 21.507 9.742 1.00 8.32 C -ATOM 364 C GLY A 49 24.050 21.097 10.881 1.00 8.86 C -ATOM 365 O GLY A 49 23.870 19.897 11.076 1.00 11.26 O -ATOM 366 N ASP A 50 23.506 22.031 11.621 1.00 8.52 N -ATOM 367 CA ASP A 50 22.667 21.831 12.801 1.00 9.51 C -ATOM 368 C ASP A 50 21.251 22.304 12.547 1.00 9.33 C -ATOM 369 O ASP A 50 20.993 23.492 12.393 1.00 11.48 O -ATOM 370 CB ASP A 50 23.294 22.572 13.972 1.00 10.92 C -ATOM 371 CG ASP A 50 22.575 22.399 15.267 1.00 11.24 C -ATOM 372 OD1 ASP A 50 21.371 22.028 15.263 1.00 13.11 O -ATOM 373 OD2 ASP A 50 23.188 22.669 16.332 1.00 17.09 O -ATOM 374 N ASN A 51 20.329 21.366 12.408 1.00 11.79 N -ATOM 375 CA ASN A 51 18.950 21.597 12.116 1.00 13.08 C -ATOM 376 C ASN A 51 18.040 21.362 13.298 1.00 13.11 C -ATOM 377 O ASN A 51 16.816 21.168 13.197 1.00 15.71 O -ATOM 378 CB AASN A 51 18.494 21.281 10.747 0.50 17.63 C -ATOM 379 CB BASN A 51 18.517 20.540 11.132 0.50 14.26 C -ATOM 380 CG AASN A 51 19.159 21.857 9.551 0.50 20.52 C -ATOM 381 CG BASN A 51 17.281 20.777 10.326 0.50 17.85 C -ATOM 382 OD1AASN A 51 18.979 21.307 8.387 0.50 24.92 O -ATOM 383 OD1BASN A 51 16.451 19.798 10.109 0.50 33.95 O -ATOM 384 ND2AASN A 51 19.945 22.938 9.582 0.50 22.40 N -ATOM 385 ND2BASN A 51 16.811 22.006 10.067 0.50 19.83 N -ATOM 386 N THR A 52 18.639 21.409 14.512 1.00 11.81 N -ATOM 387 CA THR A 52 17.918 21.187 15.724 1.00 13.58 C -ATOM 388 C THR A 52 16.884 22.254 16.032 1.00 15.02 C -ATOM 389 O THR A 52 15.869 21.954 16.655 1.00 24.03 O -ATOM 390 CB THR A 52 18.790 20.938 16.953 1.00 14.10 C -ATOM 391 OG1 THR A 52 19.575 22.069 17.272 1.00 15.78 O -ATOM 392 CG2 THR A 52 19.640 19.709 16.869 1.00 17.95 C -ATOM 393 N ASN A 53 17.145 23.485 15.612 1.00 16.41 N -ATOM 394 CA ASN A 53 16.140 24.566 15.741 1.00 18.72 C -ATOM 395 C ASN A 53 15.754 24.990 14.339 1.00 18.22 C -ATOM 396 O ASN A 53 15.883 26.161 13.958 1.00 24.19 O -ATOM 397 CB ASN A 53 16.738 25.772 16.501 1.00 27.34 C -ATOM 398 CG ASN A 53 15.677 26.782 16.880 1.00 37.75 C -ATOM 399 OD1 ASN A 53 15.986 27.984 17.073 1.00 53.19 O -ATOM 400 ND2 ASN A 53 14.422 26.349 16.965 1.00 50.12 N -ATOM 401 N GLY A 54 15.390 24.048 13.467 1.00 18.41 N -ATOM 402 CA GLY A 54 15.115 24.479 12.116 1.00 17.47 C -ATOM 403 C GLY A 54 16.319 25.114 11.457 1.00 13.63 C -ATOM 404 O GLY A 54 17.463 24.762 11.739 1.00 19.20 O -ATOM 405 N CYS A 55 16.070 26.086 10.564 1.00 12.92 N -ATOM 406 CA CYS A 55 17.162 26.714 9.824 1.00 11.46 C -ATOM 407 C CYS A 55 17.925 27.737 10.629 1.00 13.18 C -ATOM 408 O CYS A 55 19.007 28.172 10.241 1.00 13.08 O -ATOM 409 CB CYS A 55 16.637 27.323 8.541 1.00 12.38 C -ATOM 410 SG CYS A 55 15.807 26.127 7.423 1.00 13.46 S -ATOM 411 N MET A 56 17.381 28.149 11.769 1.00 13.03 N -ATOM 412 CA MET A 56 18.023 29.106 12.617 1.00 15.86 C -ATOM 413 C MET A 56 19.320 28.641 13.243 1.00 14.70 C -ATOM 414 O MET A 56 20.289 29.424 13.355 1.00 18.13 O -ATOM 415 CB MET A 56 17.114 29.854 13.563 1.00 29.83 C -ATOM 416 CG MET A 56 16.809 31.296 13.072 0.00 37.26 C -ATOM 417 SD MET A 56 16.122 31.337 11.416 1.00 74.53 S -ATOM 418 CE MET A 56 16.282 33.043 10.938 1.00 72.42 C -ATOM 419 N SER A 57 19.442 27.376 13.533 1.00 11.42 N -ATOM 420 CA SER A 57 20.613 26.797 14.136 1.00 12.36 C -ATOM 421 C SER A 57 21.713 26.573 13.121 1.00 10.20 C -ATOM 422 O SER A 57 22.834 26.169 13.586 1.00 12.74 O -ATOM 423 CB SER A 57 20.302 25.562 14.939 1.00 15.37 C -ATOM 424 OG SER A 57 19.452 24.734 14.246 1.00 15.15 O -ATOM 425 N ALA A 58 21.569 26.925 11.884 1.00 10.27 N -ATOM 426 CA ALA A 58 22.649 26.831 10.912 1.00 11.04 C -ATOM 427 C ALA A 58 23.698 27.922 11.066 1.00 9.63 C -ATOM 428 O ALA A 58 24.761 27.879 10.438 1.00 10.46 O -ATOM 429 CB ALA A 58 22.080 26.827 9.479 1.00 12.72 C -ATOM 430 N GLY A 59 23.443 28.931 11.897 1.00 9.55 N -ATOM 431 CA GLY A 59 24.423 30.003 12.077 1.00 11.60 C -ATOM 432 C GLY A 59 24.469 30.974 10.908 1.00 9.73 C -ATOM 433 O GLY A 59 23.551 30.992 10.084 1.00 10.44 O -ATOM 434 N SER A 60 25.589 31.688 10.814 1.00 9.28 N -ATOM 435 CA SER A 60 25.865 32.698 9.787 1.00 8.34 C -ATOM 436 C SER A 60 26.533 32.077 8.584 1.00 9.31 C -ATOM 437 O SER A 60 26.624 30.874 8.412 1.00 9.78 O -ATOM 438 CB ASER A 60 26.630 33.886 10.358 0.50 11.89 C -ATOM 439 CB BSER A 60 26.550 33.896 10.449 0.50 12.25 C -ATOM 440 OG ASER A 60 25.947 34.452 11.489 0.33 10.99 O -ATOM 441 OG BSER A 60 27.809 33.510 11.044 0.66 17.46 O -ATOM 442 N HIS A 61 26.965 32.911 7.593 1.00 7.19 N -ATOM 443 CA HIS A 61 27.557 32.385 6.403 1.00 7.24 C -ATOM 444 C HIS A 61 28.929 31.763 6.641 1.00 7.38 C -ATOM 445 O HIS A 61 29.744 32.217 7.397 1.00 9.97 O -ATOM 446 CB HIS A 61 27.707 33.547 5.385 1.00 9.38 C -ATOM 447 CG HIS A 61 26.382 33.956 4.808 1.00 8.78 C -ATOM 448 ND1 HIS A 61 26.168 34.981 3.980 1.00 9.06 N -ATOM 449 CD2 HIS A 61 25.174 33.397 5.004 1.00 11.08 C -ATOM 450 CE1 HIS A 61 24.867 35.060 3.688 1.00 12.84 C -ATOM 451 NE2 HIS A 61 24.251 34.003 4.297 1.00 11.66 N -ATOM 452 N PHE A 62 29.170 30.723 5.844 1.00 7.37 N -ATOM 453 CA PHE A 62 30.443 30.032 5.888 1.00 7.69 C -ATOM 454 C PHE A 62 31.529 30.951 5.336 1.00 8.66 C -ATOM 455 O PHE A 62 31.437 31.411 4.201 1.00 8.67 O -ATOM 456 CB PHE A 62 30.338 28.743 5.100 1.00 9.12 C -ATOM 457 CG PHE A 62 31.606 27.898 5.103 1.00 8.46 C -ATOM 458 CD1 PHE A 62 32.322 27.665 6.268 1.00 10.92 C -ATOM 459 CD2 PHE A 62 32.056 27.335 3.916 1.00 12.32 C -ATOM 460 CE1 PHE A 62 33.472 26.872 6.242 1.00 13.49 C -ATOM 461 CE2 PHE A 62 33.167 26.573 3.887 1.00 14.14 C -ATOM 462 CZ PHE A 62 33.849 26.262 5.071 1.00 13.67 C -ATOM 463 N ASN A 63 32.488 31.336 6.176 1.00 9.42 N -ATOM 464 CA ASN A 63 33.430 32.405 5.833 1.00 8.55 C -ATOM 465 C ASN A 63 34.812 32.105 6.344 1.00 9.32 C -ATOM 466 O ASN A 63 35.415 32.905 7.122 1.00 10.05 O -ATOM 467 CB ASN A 63 32.905 33.719 6.524 1.00 8.40 C -ATOM 468 CG ASN A 63 33.699 34.942 6.148 1.00 9.41 C -ATOM 469 OD1 ASN A 63 34.304 35.042 5.092 1.00 10.17 O -ATOM 470 ND2 ASN A 63 33.675 35.974 7.057 1.00 12.03 N -ATOM 471 N PRO A 64 35.439 31.016 5.865 1.00 8.31 N -ATOM 472 CA PRO A 64 36.774 30.681 6.332 1.00 8.86 C -ATOM 473 C PRO A 64 37.864 31.592 5.825 1.00 11.00 C -ATOM 474 O PRO A 64 39.004 31.625 6.345 1.00 14.24 O -ATOM 475 CB PRO A 64 36.951 29.238 5.823 1.00 11.35 C -ATOM 476 CG PRO A 64 36.134 29.188 4.579 1.00 11.57 C -ATOM 477 CD PRO A 64 34.958 30.021 4.862 1.00 10.13 C -ATOM 478 N GLU A 65 37.589 32.395 4.809 1.00 10.66 N -ATOM 479 CA GLU A 65 38.592 33.320 4.328 1.00 11.47 C -ATOM 480 C GLU A 65 38.422 34.719 4.850 1.00 11.41 C -ATOM 481 O GLU A 65 39.131 35.652 4.458 1.00 13.92 O -ATOM 482 CB GLU A 65 38.748 33.291 2.769 1.00 16.40 C -ATOM 483 CG GLU A 65 39.113 31.872 2.302 1.00 20.74 C -ATOM 484 CD GLU A 65 39.418 31.715 0.849 1.00 26.62 C -ATOM 485 OE1 GLU A 65 39.527 32.703 0.118 1.00 39.97 O -ATOM 486 OE2 GLU A 65 39.653 30.535 0.420 1.00 30.65 O -ATOM 487 N ASN A 66 37.492 34.919 5.778 1.00 10.10 N -ATOM 488 CA ASN A 66 37.421 36.142 6.545 1.00 9.77 C -ATOM 489 C ASN A 66 37.231 37.398 5.716 1.00 11.40 C -ATOM 490 O ASN A 66 37.977 38.419 5.846 1.00 13.38 O -ATOM 491 CB ASN A 66 38.645 36.270 7.481 1.00 11.11 C -ATOM 492 CG ASN A 66 38.537 35.337 8.677 1.00 9.99 C -ATOM 493 OD1 ASN A 66 37.920 35.716 9.680 1.00 14.20 O -ATOM 494 ND2 ASN A 66 39.143 34.133 8.598 1.00 13.24 N -ATOM 495 N LYS A 67 36.188 37.398 4.919 1.00 10.79 N -ATOM 496 CA LYS A 67 35.815 38.504 4.097 1.00 11.14 C -ATOM 497 C LYS A 67 34.410 38.991 4.442 1.00 10.06 C -ATOM 498 O LYS A 67 33.718 38.418 5.268 1.00 10.63 O -ATOM 499 CB LYS A 67 35.811 38.064 2.578 1.00 12.61 C -ATOM 500 CG LYS A 67 37.115 37.385 2.212 1.00 22.72 C -ATOM 501 CD LYS A 67 38.047 38.212 1.461 1.00 32.56 C -ATOM 502 CE LYS A 67 39.351 37.646 1.013 1.00 37.12 C -ATOM 503 NZ LYS A 67 40.478 38.573 1.454 1.00 60.21 N -ATOM 504 N ASN A 68 34.017 40.089 3.804 1.00 12.16 N -ATOM 505 CA ASN A 68 32.638 40.571 3.931 1.00 10.36 C -ATOM 506 C ASN A 68 31.760 39.806 2.915 1.00 9.97 C -ATOM 507 O ASN A 68 32.204 39.131 2.026 1.00 12.24 O -ATOM 508 CB ASN A 68 32.601 42.041 3.588 1.00 11.17 C -ATOM 509 CG ASN A 68 33.418 42.935 4.504 1.00 11.71 C -ATOM 510 OD1 ASN A 68 34.095 43.866 4.026 1.00 28.68 O -ATOM 511 ND2 ASN A 68 33.283 42.806 5.801 1.00 13.05 N -ATOM 512 N HIS A 69 30.438 39.998 3.098 1.00 9.85 N -ATOM 513 CA HIS A 69 29.461 39.439 2.195 1.00 8.06 C -ATOM 514 C HIS A 69 29.530 40.119 0.822 1.00 10.28 C -ATOM 515 O HIS A 69 29.676 41.356 0.727 1.00 11.99 O -ATOM 516 CB HIS A 69 28.065 39.593 2.817 1.00 11.09 C -ATOM 517 CG HIS A 69 26.961 39.000 1.988 1.00 7.48 C -ATOM 518 ND1 HIS A 69 26.646 37.666 2.008 1.00 8.20 N -ATOM 519 CD2 HIS A 69 26.183 39.603 1.064 1.00 9.47 C -ATOM 520 CE1 HIS A 69 25.670 37.467 1.090 1.00 9.09 C -ATOM 521 NE2 HIS A 69 25.385 38.635 0.523 1.00 10.94 N -ATOM 522 N GLY A 70 29.401 39.337 -0.250 1.00 10.40 N -ATOM 523 CA GLY A 70 29.424 39.884 -1.605 1.00 13.12 C -ATOM 524 C GLY A 70 28.663 38.973 -2.568 1.00 9.27 C -ATOM 525 O GLY A 70 27.938 38.065 -2.164 1.00 12.76 O -ATOM 526 N ALA A 71 28.896 39.280 -3.828 1.00 14.37 N -ATOM 527 CA ALA A 71 28.374 38.553 -4.970 1.00 14.34 C -ATOM 528 C ALA A 71 29.344 37.401 -5.309 1.00 13.65 C -ATOM 529 O ALA A 71 30.546 37.527 -5.050 1.00 14.54 O -ATOM 530 CB ALA A 71 28.273 39.497 -6.160 1.00 17.17 C -ATOM 531 N PRO A 72 28.865 36.359 -5.982 1.00 13.07 N -ATOM 532 CA PRO A 72 29.741 35.266 -6.358 1.00 13.90 C -ATOM 533 C PRO A 72 30.943 35.643 -7.170 1.00 14.64 C -ATOM 534 O PRO A 72 32.020 34.985 -7.051 1.00 17.72 O -ATOM 535 CB PRO A 72 28.880 34.242 -7.015 1.00 20.37 C -ATOM 536 CG PRO A 72 27.507 34.731 -6.956 1.00 21.24 C -ATOM 537 CD PRO A 72 27.433 36.016 -6.269 1.00 15.31 C -ATOM 538 N GLY A 73 30.851 36.642 -8.045 1.00 17.96 N -ATOM 539 CA GLY A 73 31.930 37.131 -8.861 1.00 18.35 C -ATOM 540 C GLY A 73 32.909 38.071 -8.208 1.00 19.67 C -ATOM 541 O GLY A 73 33.900 38.497 -8.856 1.00 22.12 O -ATOM 542 N ASP A 74 32.645 38.469 -6.969 1.00 18.16 N -ATOM 543 CA ASP A 74 33.514 39.443 -6.280 1.00 18.04 C -ATOM 544 C ASP A 74 34.690 38.706 -5.625 1.00 18.24 C -ATOM 545 O ASP A 74 34.575 37.571 -5.232 1.00 20.95 O -ATOM 546 CB ASP A 74 32.720 40.156 -5.172 1.00 18.33 C -ATOM 547 CG ASP A 74 31.623 41.065 -5.666 1.00 20.18 C -ATOM 548 OD1 ASP A 74 31.705 41.503 -6.838 1.00 24.59 O -ATOM 549 OD2 ASP A 74 30.678 41.400 -4.896 1.00 20.51 O -ATOM 550 N THR A 75 35.766 39.437 -5.375 1.00 20.31 N -ATOM 551 CA THR A 75 36.893 38.943 -4.574 1.00 25.03 C -ATOM 552 C THR A 75 36.514 38.996 -3.089 1.00 19.78 C -ATOM 553 O THR A 75 36.726 38.056 -2.317 1.00 24.70 O -ATOM 554 CB THR A 75 38.088 39.937 -4.875 1.00 35.67 C -ATOM 555 OG1 THR A 75 38.718 39.391 -6.061 1.00 49.19 O -ATOM 556 CG2 THR A 75 39.102 39.922 -3.787 1.00 49.39 C -ATOM 557 N ASP A 76 35.810 40.061 -2.692 1.00 20.09 N -ATOM 558 CA ASP A 76 35.340 40.245 -1.322 1.00 18.55 C -ATOM 559 C ASP A 76 33.944 39.632 -1.172 1.00 13.36 C -ATOM 560 O ASP A 76 32.917 40.278 -1.443 1.00 18.31 O -ATOM 561 CB ASP A 76 35.294 41.732 -0.941 1.00 21.31 C -ATOM 562 CG ASP A 76 35.280 42.088 0.480 1.00 28.47 C -ATOM 563 OD1 ASP A 76 35.443 41.233 1.394 1.00 27.89 O -ATOM 564 OD2 ASP A 76 35.089 43.292 0.882 1.00 34.74 O -ATOM 565 N ARG A 77 33.945 38.361 -0.830 1.00 12.89 N -ATOM 566 CA ARG A 77 32.717 37.590 -0.599 1.00 9.61 C -ATOM 567 C ARG A 77 32.964 36.506 0.433 1.00 9.47 C -ATOM 568 O ARG A 77 34.157 36.081 0.606 1.00 11.65 O -ATOM 569 CB ARG A 77 32.255 36.910 -1.930 1.00 11.50 C -ATOM 570 CG ARG A 77 33.226 35.973 -2.555 1.00 14.74 C -ATOM 571 CD ARG A 77 32.679 35.113 -3.688 1.00 15.35 C -ATOM 572 NE ARG A 77 32.081 33.845 -3.164 1.00 12.51 N -ATOM 573 CZ ARG A 77 31.880 32.753 -3.901 1.00 13.16 C -ATOM 574 NH1 ARG A 77 32.073 32.800 -5.238 1.00 14.77 N -ATOM 575 NH2 ARG A 77 31.528 31.612 -3.327 1.00 11.25 N -ATOM 576 N HIS A 78 31.947 35.961 1.006 1.00 9.12 N -ATOM 577 CA HIS A 78 32.086 34.738 1.804 1.00 9.11 C -ATOM 578 C HIS A 78 32.133 33.529 0.873 1.00 9.12 C -ATOM 579 O HIS A 78 31.519 33.526 -0.207 1.00 9.17 O -ATOM 580 CB HIS A 78 30.847 34.560 2.703 1.00 9.94 C -ATOM 581 CG HIS A 78 30.595 35.713 3.626 1.00 9.26 C -ATOM 582 ND1 HIS A 78 29.298 36.158 3.946 1.00 8.42 N -ATOM 583 CD2 HIS A 78 31.448 36.397 4.400 1.00 9.75 C -ATOM 584 CE1 HIS A 78 29.411 37.098 4.864 1.00 9.59 C -ATOM 585 NE2 HIS A 78 30.675 37.251 5.170 1.00 11.36 N -ATOM 586 N VAL A 79 32.823 32.486 1.319 1.00 9.07 N -ATOM 587 CA VAL A 79 32.797 31.245 0.552 1.00 8.60 C -ATOM 588 C VAL A 79 31.374 30.824 0.269 1.00 8.03 C -ATOM 589 O VAL A 79 31.046 30.319 -0.790 1.00 10.54 O -ATOM 590 CB VAL A 79 33.603 30.138 1.251 1.00 9.28 C -ATOM 591 CG1 VAL A 79 33.336 28.769 0.633 1.00 12.55 C -ATOM 592 CG2 VAL A 79 35.086 30.486 1.176 1.00 12.76 C -ATOM 593 N GLY A 80 30.483 30.979 1.253 1.00 7.58 N -ATOM 594 CA GLY A 80 29.143 30.552 1.100 1.00 8.55 C -ATOM 595 C GLY A 80 28.227 31.424 0.289 1.00 8.74 C -ATOM 596 O GLY A 80 27.027 31.106 0.180 1.00 9.68 O -ATOM 597 N ASP A 81 28.717 32.477 -0.325 1.00 9.39 N -ATOM 598 CA ASP A 81 27.908 33.423 -1.095 1.00 8.73 C -ATOM 599 C ASP A 81 27.726 32.992 -2.529 1.00 9.12 C -ATOM 600 O ASP A 81 28.544 33.235 -3.398 1.00 13.60 O -ATOM 601 CB ASP A 81 28.555 34.812 -1.017 1.00 10.07 C -ATOM 602 CG ASP A 81 28.512 35.461 0.321 1.00 8.52 C -ATOM 603 OD1 ASP A 81 27.757 34.950 1.200 1.00 8.35 O -ATOM 604 OD2 ASP A 81 29.193 36.492 0.557 1.00 10.77 O -ATOM 605 N LEU A 82 26.576 32.333 -2.783 1.00 8.95 N -ATOM 606 CA LEU A 82 26.214 31.837 -4.087 1.00 8.02 C -ATOM 607 C LEU A 82 25.188 32.660 -4.827 1.00 11.27 C -ATOM 608 O LEU A 82 24.647 32.251 -5.865 1.00 14.55 O -ATOM 609 CB LEU A 82 25.850 30.368 -4.067 1.00 10.15 C -ATOM 610 CG LEU A 82 26.888 29.386 -3.605 1.00 14.00 C -ATOM 611 CD1 LEU A 82 26.362 27.982 -3.475 1.00 17.66 C -ATOM 612 CD2 LEU A 82 28.157 29.487 -4.387 1.00 16.06 C -ATOM 613 N GLY A 83 24.907 33.881 -4.352 1.00 10.85 N -ATOM 614 CA GLY A 83 24.067 34.813 -5.072 1.00 10.27 C -ATOM 615 C GLY A 83 22.603 34.528 -4.991 1.00 10.54 C -ATOM 616 O GLY A 83 22.109 34.105 -3.939 1.00 13.55 O -ATOM 617 N ASN A 84 21.867 34.832 -6.054 1.00 10.84 N -ATOM 618 CA ASN A 84 20.445 34.688 -6.121 1.00 11.11 C -ATOM 619 C ASN A 84 20.049 33.602 -7.122 1.00 11.47 C -ATOM 620 O ASN A 84 20.698 33.408 -8.120 1.00 13.74 O -ATOM 621 CB ASN A 84 19.778 35.978 -6.590 1.00 11.67 C -ATOM 622 CG ASN A 84 19.829 37.061 -5.548 1.00 12.92 C -ATOM 623 OD1 ASN A 84 19.271 36.853 -4.470 1.00 13.38 O -ATOM 624 ND2 ASN A 84 20.477 38.189 -5.839 1.00 14.41 N -ATOM 625 N VAL A 85 18.944 32.940 -6.749 1.00 11.44 N -ATOM 626 CA VAL A 85 18.256 32.079 -7.722 1.00 11.54 C -ATOM 627 C VAL A 85 16.938 32.770 -8.134 1.00 12.49 C -ATOM 628 O VAL A 85 16.396 33.542 -7.313 1.00 15.11 O -ATOM 629 CB VAL A 85 17.983 30.680 -7.163 1.00 15.02 C -ATOM 630 CG1 VAL A 85 19.313 29.998 -6.841 1.00 19.67 C -ATOM 631 CG2 VAL A 85 17.119 30.723 -5.920 1.00 19.01 C -ATOM 632 N THR A 86 16.434 32.517 -9.316 1.00 12.70 N -ATOM 633 CA THR A 86 15.227 33.160 -9.820 1.00 13.22 C -ATOM 634 C THR A 86 14.074 32.162 -9.909 1.00 11.45 C -ATOM 635 O THR A 86 14.159 31.128 -10.544 1.00 16.37 O -ATOM 636 CB THR A 86 15.475 33.754 -11.233 1.00 16.69 C -ATOM 637 OG1 THR A 86 16.504 34.743 -11.150 1.00 23.74 O -ATOM 638 CG2 THR A 86 14.264 34.488 -11.730 1.00 24.54 C -ATOM 639 N ALA A 87 12.974 32.530 -9.280 1.00 12.87 N -ATOM 640 CA ALA A 87 11.767 31.731 -9.286 1.00 12.42 C -ATOM 641 C ALA A 87 10.745 32.297 -10.258 1.00 13.37 C -ATOM 642 O ALA A 87 10.540 33.513 -10.313 1.00 16.47 O -ATOM 643 CB ALA A 87 11.170 31.601 -7.925 1.00 15.88 C -ATOM 644 N GLU A 88 10.115 31.408 -11.012 1.00 14.59 N -ATOM 645 CA GLU A 88 9.027 31.789 -11.912 1.00 15.61 C -ATOM 646 C GLU A 88 8.009 30.609 -11.886 1.00 15.39 C -ATOM 647 O GLU A 88 8.419 29.469 -11.893 1.00 17.15 O -ATOM 648 CB GLU A 88 9.533 31.953 -13.365 1.00 26.59 C -ATOM 649 CG GLU A 88 8.479 32.535 -14.294 1.00 39.86 C -ATOM 650 CD GLU A 88 8.989 33.276 -15.499 1.00 52.26 C -ATOM 651 OE1 GLU A 88 10.197 33.321 -15.809 1.00 60.13 O -ATOM 652 OE2 GLU A 88 8.142 33.911 -16.198 1.00 59.68 O -ATOM 653 N GLY A 90 6.730 30.920 -11.791 1.00 17.64 N -ATOM 654 CA GLY A 90 5.717 29.863 -11.716 1.00 17.09 C -ATOM 655 C GLY A 90 5.912 28.986 -10.469 1.00 14.62 C -ATOM 656 O GLY A 90 5.492 27.835 -10.484 1.00 20.18 O -ATOM 657 N GLY A 91 6.447 29.568 -9.412 1.00 15.56 N -ATOM 658 CA GLY A 91 6.646 28.926 -8.126 1.00 17.97 C -ATOM 659 C GLY A 91 7.871 28.042 -8.008 1.00 16.83 C -ATOM 660 O GLY A 91 8.095 27.419 -6.982 1.00 17.98 O -ATOM 661 N VAL A 92 8.705 28.002 -9.062 1.00 13.28 N -ATOM 662 CA VAL A 92 9.855 27.132 -9.136 1.00 15.58 C -ATOM 663 C VAL A 92 11.138 27.847 -9.563 1.00 14.74 C -ATOM 664 O VAL A 92 11.140 28.663 -10.513 1.00 16.27 O -ATOM 665 CB VAL A 92 9.590 26.020 -10.217 1.00 17.51 C -ATOM 666 CG1 VAL A 92 10.750 25.074 -10.279 1.00 24.35 C -ATOM 667 CG2 VAL A 92 8.269 25.310 -9.927 1.00 26.39 C -ATOM 668 N ALA A 93 12.223 27.548 -8.893 1.00 13.90 N -ATOM 669 CA ALA A 93 13.534 27.932 -9.287 1.00 11.52 C -ATOM 670 C ALA A 93 14.361 26.717 -9.725 1.00 12.06 C -ATOM 671 O ALA A 93 14.585 25.801 -8.907 1.00 18.21 O -ATOM 672 CB ALA A 93 14.224 28.636 -8.087 1.00 14.24 C -ATOM 673 N GLN A 94 14.801 26.678 -10.951 1.00 14.95 N -ATOM 674 CA GLN A 94 15.693 25.587 -11.477 1.00 17.49 C -ATOM 675 C GLN A 94 16.962 26.316 -11.952 1.00 16.14 C -ATOM 676 O GLN A 94 16.943 27.248 -12.731 1.00 23.94 O -ATOM 677 CB GLN A 94 15.023 24.908 -12.686 1.00 24.29 C -ATOM 678 CG GLN A 94 14.329 23.576 -12.379 0.00 38.09 C -ATOM 679 CD GLN A 94 13.673 22.956 -13.625 1.00 47.87 C -ATOM 680 OE1 GLN A 94 12.447 22.862 -13.699 1.00 67.91 O -ATOM 681 NE2 GLN A 94 14.423 22.527 -14.626 1.00 65.75 N -ATOM 682 N PHE A 95 18.111 25.898 -11.417 1.00 15.11 N -ATOM 683 CA PHE A 95 19.344 26.570 -11.595 1.00 14.70 C -ATOM 684 C PHE A 95 20.549 25.639 -11.709 1.00 16.12 C -ATOM 685 O PHE A 95 20.545 24.523 -11.216 1.00 15.20 O -ATOM 686 CB PHE A 95 19.574 27.596 -10.474 1.00 17.90 C -ATOM 687 CG PHE A 95 19.623 26.963 -9.081 1.00 15.37 C -ATOM 688 CD1 PHE A 95 18.467 26.770 -8.374 1.00 18.33 C -ATOM 689 CD2 PHE A 95 20.809 26.596 -8.495 1.00 20.35 C -ATOM 690 CE1 PHE A 95 18.491 26.202 -7.109 1.00 19.83 C -ATOM 691 CE2 PHE A 95 20.849 26.050 -7.219 1.00 23.18 C -ATOM 692 CZ PHE A 95 19.680 25.801 -6.540 1.00 24.88 C -ATOM 693 N LYS A 96 21.557 26.143 -12.412 1.00 17.12 N -ATOM 694 CA LYS A 96 22.863 25.528 -12.578 1.00 16.93 C -ATOM 695 C LYS A 96 23.936 26.622 -12.387 1.00 19.08 C -ATOM 696 O LYS A 96 23.896 27.600 -13.142 1.00 35.20 O -ATOM 697 CB LYS A 96 23.036 24.915 -13.968 1.00 26.93 C -ATOM 698 CG LYS A 96 24.164 23.937 -14.143 1.00 47.67 C -ATOM 699 CD LYS A 96 25.518 24.577 -14.390 1.00 61.87 C -ATOM 700 CE LYS A 96 26.635 23.560 -14.507 1.00 68.82 C -ATOM 701 NZ LYS A 96 26.600 22.798 -15.797 1.00 89.60 N -ATOM 702 N ILE A 97 24.823 26.421 -11.461 1.00 17.69 N -ATOM 703 CA ILE A 97 25.905 27.382 -11.196 1.00 20.34 C -ATOM 704 C ILE A 97 27.210 26.567 -11.133 1.00 17.60 C -ATOM 705 O ILE A 97 27.209 25.386 -10.810 1.00 21.56 O -ATOM 706 CB ILE A 97 25.620 27.931 -9.783 1.00 26.05 C -ATOM 707 CG1 ILE A 97 24.325 28.750 -9.723 1.00 32.92 C -ATOM 708 CG2 ILE A 97 26.716 28.598 -9.075 1.00 35.21 C -ATOM 709 CD1 ILE A 97 23.875 28.817 -8.239 1.00 39.23 C -ATOM 710 N THR A 98 28.302 27.258 -11.398 1.00 14.78 N -ATOM 711 CA THR A 98 29.661 26.759 -11.212 1.00 15.59 C -ATOM 712 C THR A 98 30.390 27.730 -10.291 1.00 13.96 C -ATOM 713 O THR A 98 30.251 28.924 -10.471 1.00 20.54 O -ATOM 714 CB THR A 98 30.395 26.654 -12.549 1.00 23.16 C -ATOM 715 OG1 THR A 98 29.822 25.619 -13.336 1.00 35.83 O -ATOM 716 CG2 THR A 98 31.881 26.325 -12.383 1.00 34.22 C -ATOM 717 N ASP A 99 31.052 27.196 -9.266 1.00 13.22 N -ATOM 718 CA ASP A 99 31.767 28.046 -8.336 1.00 12.14 C -ATOM 719 C ASP A 99 33.113 27.442 -7.955 1.00 14.58 C -ATOM 720 O ASP A 99 33.195 26.232 -7.784 1.00 16.45 O -ATOM 721 CB ASP A 99 30.914 28.310 -7.102 1.00 12.49 C -ATOM 722 CG ASP A 99 31.504 29.439 -6.263 1.00 12.83 C -ATOM 723 OD1 ASP A 99 31.284 30.597 -6.631 1.00 18.38 O -ATOM 724 OD2 ASP A 99 32.133 29.164 -5.205 1.00 12.93 O -ATOM 725 N SER A 100 34.127 28.305 -7.838 1.00 14.93 N -ATOM 726 CA SER A 100 35.472 27.896 -7.529 1.00 18.59 C -ATOM 727 C SER A 100 35.942 28.157 -6.127 1.00 17.20 C -ATOM 728 O SER A 100 37.075 27.819 -5.729 1.00 20.72 O -ATOM 729 CB ASER A 100 36.459 28.475 -8.570 0.50 24.10 C -ATOM 730 CB BSER A 100 36.351 28.405 -8.704 0.50 21.66 C -ATOM 731 OG ASER A 100 36.359 29.882 -8.642 0.50 31.58 O -ATOM 732 OG BSER A 100 35.970 27.815 -9.925 0.50 26.88 O -ATOM 733 N LEU A 101 35.080 28.744 -5.263 1.00 14.66 N -ATOM 734 CA LEU A 101 35.472 28.991 -3.882 1.00 13.58 C -ATOM 735 C LEU A 101 34.971 27.906 -2.942 1.00 10.88 C -ATOM 736 O LEU A 101 35.747 27.443 -2.111 1.00 15.95 O -ATOM 737 CB LEU A 101 35.033 30.353 -3.379 1.00 17.74 C -ATOM 738 CG LEU A 101 35.877 31.541 -3.598 1.00 25.06 C -ATOM 739 CD1 LEU A 101 35.377 32.724 -2.719 1.00 25.68 C -ATOM 740 CD2 LEU A 101 37.365 31.295 -3.370 1.00 35.54 C -ATOM 741 N ILE A 102 33.710 27.509 -3.125 1.00 11.37 N -ATOM 742 CA ILE A 102 33.244 26.309 -2.400 1.00 11.19 C -ATOM 743 C ILE A 102 34.031 25.087 -2.891 1.00 12.25 C -ATOM 744 O ILE A 102 34.540 25.054 -4.008 1.00 13.86 O -ATOM 745 CB ILE A 102 31.750 26.042 -2.572 1.00 10.80 C -ATOM 746 CG1 ILE A 102 31.313 25.897 -4.008 1.00 14.86 C -ATOM 747 CG2 ILE A 102 30.988 27.186 -1.857 1.00 12.77 C -ATOM 748 CD1 ILE A 102 29.924 25.393 -4.269 1.00 12.37 C -ATOM 749 N SER A 103 34.060 24.070 -2.055 1.00 11.00 N -ATOM 750 CA SER A 103 34.714 22.821 -2.367 1.00 11.78 C -ATOM 751 C SER A 103 33.932 21.688 -1.675 1.00 11.18 C -ATOM 752 O SER A 103 33.182 21.910 -0.755 1.00 10.91 O -ATOM 753 CB SER A 103 36.150 22.787 -1.786 1.00 14.12 C -ATOM 754 OG SER A 103 36.858 21.681 -2.392 1.00 15.49 O -ATOM 755 N LEU A 104 34.225 20.450 -2.085 1.00 12.60 N -ATOM 756 CA LEU A 104 33.727 19.278 -1.440 1.00 13.49 C -ATOM 757 C LEU A 104 34.844 18.562 -0.681 1.00 14.51 C -ATOM 758 O LEU A 104 34.606 17.475 -0.159 1.00 16.82 O -ATOM 759 CB LEU A 104 33.019 18.367 -2.402 1.00 13.27 C -ATOM 760 CG LEU A 104 31.817 18.935 -3.135 1.00 13.24 C -ATOM 761 CD1 LEU A 104 31.200 17.904 -4.040 1.00 16.51 C -ATOM 762 CD2 LEU A 104 30.821 19.574 -2.182 1.00 22.63 C -ATOM 763 N LYS A 105 36.033 19.165 -0.594 1.00 14.92 N -ATOM 764 CA LYS A 105 37.139 18.617 0.145 1.00 16.30 C -ATOM 765 C LYS A 105 38.020 19.765 0.678 1.00 17.78 C -ATOM 766 O LYS A 105 37.916 20.873 0.200 1.00 20.07 O -ATOM 767 CB LYS A 105 37.943 17.627 -0.649 1.00 26.20 C -ATOM 768 CG LYS A 105 38.587 18.132 -1.914 1.00 38.16 C -ATOM 769 CD LYS A 105 38.295 17.264 -3.120 0.00 45.15 C -ATOM 770 CE LYS A 105 38.612 15.811 -2.887 1.00 51.58 C -ATOM 771 NZ LYS A 105 39.344 15.183 -4.045 1.00 74.91 N -ATOM 772 N GLY A 106 38.847 19.487 1.675 1.00 19.33 N -ATOM 773 CA GLY A 106 39.756 20.514 2.201 1.00 21.58 C -ATOM 774 C GLY A 106 39.069 21.530 3.095 1.00 18.64 C -ATOM 775 O GLY A 106 37.951 21.383 3.502 1.00 19.53 O -ATOM 776 N PRO A 107 39.825 22.614 3.431 1.00 22.47 N -ATOM 777 CA PRO A 107 39.319 23.582 4.370 1.00 20.21 C -ATOM 778 C PRO A 107 38.074 24.306 3.947 1.00 18.04 C -ATOM 779 O PRO A 107 37.300 24.798 4.782 1.00 21.04 O -ATOM 780 CB PRO A 107 40.471 24.511 4.668 1.00 27.74 C -ATOM 781 CG PRO A 107 41.485 24.265 3.599 1.00 32.84 C -ATOM 782 CD PRO A 107 41.177 22.971 2.921 1.00 29.51 C -ATOM 783 N ASN A 108 37.840 24.411 2.634 1.00 16.95 N -ATOM 784 CA ASN A 108 36.612 25.126 2.208 1.00 16.20 C -ATOM 785 C ASN A 108 35.497 24.145 1.917 1.00 11.36 C -ATOM 786 O ASN A 108 34.457 24.512 1.302 1.00 13.30 O -ATOM 787 CB ASN A 108 36.912 25.991 0.956 1.00 16.68 C -ATOM 788 CG ASN A 108 37.721 27.249 1.285 1.00 17.43 C -ATOM 789 OD1 ASN A 108 38.099 27.496 2.410 1.00 25.79 O -ATOM 790 ND2 ASN A 108 38.009 28.052 0.257 1.00 23.69 N -ATOM 791 N SER A 109 35.633 22.908 2.412 1.00 13.60 N -ATOM 792 CA SER A 109 34.574 21.933 2.226 1.00 11.41 C -ATOM 793 C SER A 109 33.245 22.356 2.843 1.00 8.76 C -ATOM 794 O SER A 109 33.183 22.784 4.001 1.00 11.23 O -ATOM 795 CB SER A 109 34.969 20.550 2.764 1.00 13.21 C -ATOM 796 OG SER A 109 33.871 19.625 2.522 1.00 15.18 O -ATOM 797 N ILE A 110 32.185 22.147 2.061 1.00 9.64 N -ATOM 798 CA ILE A 110 30.831 22.455 2.487 1.00 9.08 C -ATOM 799 C ILE A 110 30.065 21.201 2.920 1.00 7.70 C -ATOM 800 O ILE A 110 28.908 21.288 3.338 1.00 8.22 O -ATOM 801 CB ILE A 110 30.002 23.213 1.413 1.00 8.72 C -ATOM 802 CG1 ILE A 110 29.770 22.393 0.148 1.00 11.65 C -ATOM 803 CG2 ILE A 110 30.710 24.554 1.095 1.00 14.02 C -ATOM 804 CD1 ILE A 110 28.874 22.986 -0.876 1.00 16.10 C -ATOM 805 N ILE A 111 30.724 20.050 2.887 1.00 8.67 N -ATOM 806 CA ILE A 111 30.119 18.824 3.402 1.00 8.53 C -ATOM 807 C ILE A 111 29.870 18.991 4.923 1.00 7.79 C -ATOM 808 O ILE A 111 30.738 19.425 5.658 1.00 10.56 O -ATOM 809 CB ILE A 111 31.078 17.625 3.151 1.00 9.12 C -ATOM 810 CG1 ILE A 111 31.305 17.349 1.695 1.00 15.77 C -ATOM 811 CG2 ILE A 111 30.496 16.377 3.818 1.00 12.59 C -ATOM 812 CD1 ILE A 111 30.190 16.906 0.875 1.00 21.97 C -ATOM 813 N GLY A 112 28.650 18.648 5.368 1.00 8.61 N -ATOM 814 CA GLY A 112 28.289 18.795 6.767 1.00 8.79 C -ATOM 815 C GLY A 112 27.879 20.213 7.159 1.00 7.90 C -ATOM 816 O GLY A 112 27.620 20.445 8.333 1.00 8.58 O -ATOM 817 N ARG A 113 27.675 21.068 6.188 1.00 7.37 N -ATOM 818 CA ARG A 113 27.185 22.403 6.322 1.00 7.08 C -ATOM 819 C ARG A 113 25.787 22.546 5.759 1.00 8.35 C -ATOM 820 O ARG A 113 25.203 21.568 5.322 1.00 11.44 O -ATOM 821 CB ARG A 113 28.170 23.471 5.886 1.00 8.02 C -ATOM 822 CG ARG A 113 29.557 23.164 6.463 1.00 8.67 C -ATOM 823 CD ARG A 113 30.544 24.252 6.312 1.00 11.20 C -ATOM 824 NE ARG A 113 31.894 23.897 6.706 1.00 8.84 N -ATOM 825 CZ ARG A 113 32.357 23.972 7.963 1.00 9.98 C -ATOM 826 NH1 ARG A 113 31.573 24.379 8.941 1.00 12.50 N -ATOM 827 NH2 ARG A 113 33.649 23.585 8.175 1.00 13.03 N -ATOM 828 N THR A 114 25.161 23.725 5.866 1.00 8.76 N -ATOM 829 CA THR A 114 23.769 23.859 5.487 1.00 7.28 C -ATOM 830 C THR A 114 23.581 24.762 4.312 1.00 7.26 C -ATOM 831 O THR A 114 24.030 25.921 4.332 1.00 12.10 O -ATOM 832 CB THR A 114 22.983 24.440 6.711 1.00 8.88 C -ATOM 833 OG1 THR A 114 23.057 23.509 7.787 1.00 10.05 O -ATOM 834 CG2 THR A 114 21.528 24.613 6.382 1.00 10.80 C -ATOM 835 N ALA A 115 22.847 24.332 3.310 1.00 7.23 N -ATOM 836 CA ALA A 115 22.405 25.212 2.224 1.00 6.29 C -ATOM 837 C ALA A 115 21.054 25.842 2.631 1.00 8.00 C -ATOM 838 O ALA A 115 20.177 25.119 3.152 1.00 9.43 O -ATOM 839 CB ALA A 115 22.219 24.422 0.973 1.00 8.85 C -ATOM 840 N VAL A 116 20.890 27.134 2.408 1.00 7.86 N -ATOM 841 CA VAL A 116 19.681 27.851 2.775 1.00 8.37 C -ATOM 842 C VAL A 116 19.160 28.672 1.588 1.00 7.99 C -ATOM 843 O VAL A 116 19.972 29.390 0.915 1.00 9.97 O -ATOM 844 CB VAL A 116 20.024 28.911 3.911 1.00 7.40 C -ATOM 845 CG1 VAL A 116 18.841 29.762 4.256 1.00 12.20 C -ATOM 846 CG2 VAL A 116 20.586 28.218 5.100 1.00 11.96 C -ATOM 847 N VAL A 117 17.875 28.625 1.354 1.00 8.18 N -ATOM 848 CA VAL A 117 17.197 29.521 0.430 1.00 8.38 C -ATOM 849 C VAL A 117 16.403 30.544 1.250 1.00 8.54 C -ATOM 850 O VAL A 117 15.674 30.164 2.199 1.00 10.09 O -ATOM 851 CB VAL A 117 16.341 28.868 -0.594 1.00 10.10 C -ATOM 852 CG1 VAL A 117 15.217 28.034 -0.049 1.00 15.22 C -ATOM 853 CG2 VAL A 117 15.858 29.776 -1.676 1.00 14.80 C -ATOM 854 N HIS A 118 16.582 31.801 0.930 1.00 8.68 N -ATOM 855 CA HIS A 118 16.080 32.933 1.637 1.00 8.12 C -ATOM 856 C HIS A 118 14.787 33.550 1.116 1.00 10.76 C -ATOM 857 O HIS A 118 14.433 33.406 -0.054 1.00 12.54 O -ATOM 858 CB HIS A 118 17.172 34.004 1.774 1.00 9.00 C -ATOM 859 CG HIS A 118 18.287 33.698 2.713 1.00 11.08 C -ATOM 860 ND1 HIS A 118 18.183 33.936 4.055 1.00 11.87 N -ATOM 861 CD2 HIS A 118 19.563 33.256 2.502 1.00 11.95 C -ATOM 862 CE1 HIS A 118 19.323 33.607 4.651 1.00 10.51 C -ATOM 863 NE2 HIS A 118 20.211 33.258 3.694 1.00 10.75 N -ATOM 864 N GLU A 119 14.067 34.246 1.985 1.00 11.78 N -ATOM 865 CA GLU A 119 12.840 34.925 1.753 1.00 11.83 C -ATOM 866 C GLU A 119 12.961 36.012 0.684 1.00 12.30 C -ATOM 867 O GLU A 119 12.067 36.151 -0.146 1.00 17.17 O -ATOM 868 CB GLU A 119 12.417 35.573 3.080 1.00 19.29 C -ATOM 869 CG GLU A 119 11.315 36.506 3.149 1.00 28.96 C -ATOM 870 CD GLU A 119 11.209 37.335 4.446 1.00 33.22 C -ATOM 871 OE1 GLU A 119 12.130 37.391 5.272 1.00 33.83 O -ATOM 872 OE2 GLU A 119 10.176 37.993 4.592 1.00 36.96 O -ATOM 873 N LYS A 120 14.029 36.814 0.752 1.00 14.90 N -ATOM 874 CA LYS A 120 14.190 37.970 -0.128 1.00 14.22 C -ATOM 875 C LYS A 120 15.450 37.838 -0.983 1.00 11.82 C -ATOM 876 O LYS A 120 16.240 36.910 -0.844 1.00 12.98 O -ATOM 877 CB LYS A 120 14.382 39.256 0.764 1.00 18.77 C -ATOM 878 CG LYS A 120 13.276 39.463 1.815 1.00 31.26 C -ATOM 879 CD LYS A 120 13.312 40.850 2.440 1.00 39.17 C -ATOM 880 CE LYS A 120 12.072 41.105 3.281 0.00 40.93 C -ATOM 881 NZ LYS A 120 12.289 40.802 4.723 1.00 54.76 N -ATOM 882 N ALA A 121 15.584 38.785 -1.943 1.00 14.62 N -ATOM 883 CA ALA A 121 16.784 38.832 -2.768 1.00 11.29 C -ATOM 884 C ALA A 121 18.002 39.221 -1.918 1.00 11.14 C -ATOM 885 O ALA A 121 17.926 40.046 -0.998 1.00 15.28 O -ATOM 886 CB ALA A 121 16.605 39.926 -3.857 1.00 16.83 C -ATOM 887 N ASP A 122 19.133 38.672 -2.269 1.00 11.24 N -ATOM 888 CA ASP A 122 20.422 39.102 -1.698 1.00 11.31 C -ATOM 889 C ASP A 122 20.865 40.360 -2.482 1.00 10.67 C -ATOM 890 O ASP A 122 20.881 40.326 -3.709 1.00 13.35 O -ATOM 891 CB ASP A 122 21.393 37.955 -1.993 1.00 11.45 C -ATOM 892 CG ASP A 122 22.775 38.082 -1.464 1.00 12.18 C -ATOM 893 OD1 ASP A 122 23.268 39.186 -1.165 1.00 11.57 O -ATOM 894 OD2 ASP A 122 23.457 37.031 -1.292 1.00 11.11 O -ATOM 895 N ASP A 123 21.157 41.418 -1.749 1.00 11.59 N -ATOM 896 CA ASP A 123 21.619 42.686 -2.271 1.00 11.63 C -ATOM 897 C ASP A 123 23.088 42.734 -2.627 1.00 11.54 C -ATOM 898 O ASP A 123 23.578 43.786 -3.093 1.00 16.11 O -ATOM 899 CB ASP A 123 21.192 43.852 -1.390 1.00 13.81 C -ATOM 900 CG ASP A 123 21.984 44.009 -0.104 1.00 14.61 C -ATOM 901 OD1 ASP A 123 23.045 43.395 0.055 1.00 13.93 O -ATOM 902 OD2 ASP A 123 21.513 44.729 0.815 1.00 18.49 O -ATOM 903 N LEU A 124 23.769 41.614 -2.464 1.00 11.99 N -ATOM 904 CA LEU A 124 25.133 41.371 -2.948 1.00 12.58 C -ATOM 905 C LEU A 124 26.166 42.259 -2.332 1.00 13.56 C -ATOM 906 O LEU A 124 27.292 42.510 -2.798 1.00 14.60 O -ATOM 907 CB LEU A 124 25.119 41.446 -4.489 1.00 13.98 C -ATOM 908 CG LEU A 124 24.161 40.504 -5.223 1.00 16.64 C -ATOM 909 CD1 LEU A 124 24.232 40.687 -6.724 1.00 20.04 C -ATOM 910 CD2 LEU A 124 24.360 39.057 -4.845 1.00 16.75 C -ATOM 911 N GLY A 125 25.847 42.785 -1.141 1.00 13.04 N -ATOM 912 CA GLY A 125 26.776 43.631 -0.430 1.00 13.97 C -ATOM 913 C GLY A 125 26.728 45.083 -0.817 1.00 15.55 C -ATOM 914 O GLY A 125 27.530 45.902 -0.350 1.00 19.20 O -ATOM 915 N LYS A 126 25.736 45.431 -1.640 1.00 15.89 N -ATOM 916 CA LYS A 126 25.636 46.814 -2.098 1.00 17.67 C -ATOM 917 C LYS A 126 24.455 47.560 -1.547 1.00 18.23 C -ATOM 918 O LYS A 126 24.006 48.542 -2.208 1.00 20.64 O -ATOM 919 CB LYS A 126 25.528 46.723 -3.667 1.00 25.03 C -ATOM 920 CG LYS A 126 26.936 46.245 -4.213 1.00 30.42 C -ATOM 921 CD LYS A 126 27.979 47.251 -3.763 0.00 29.49 C -ATOM 922 CE LYS A 126 29.205 47.214 -4.663 0.00 29.94 C -ATOM 923 NZ LYS A 126 30.339 46.490 -4.025 0.00 29.96 N -ATOM 924 N GLY A 127 23.876 47.136 -0.439 1.00 18.38 N -ATOM 925 CA GLY A 127 22.692 47.748 0.105 1.00 17.97 C -ATOM 926 C GLY A 127 22.873 49.006 0.862 1.00 18.02 C -ATOM 927 O GLY A 127 21.908 49.714 1.225 1.00 24.20 O -ATOM 928 N GLY A 128 24.100 49.375 1.144 1.00 17.32 N -ATOM 929 CA GLY A 128 24.355 50.671 1.835 1.00 20.02 C -ATOM 930 C GLY A 128 24.206 50.602 3.343 1.00 15.55 C -ATOM 931 O GLY A 128 23.964 51.646 3.980 1.00 17.47 O -ATOM 932 N ASN A 129 24.271 49.439 3.964 1.00 14.98 N -ATOM 933 CA ASN A 129 24.135 49.362 5.428 1.00 15.72 C -ATOM 934 C ASN A 129 24.971 48.198 5.914 1.00 13.04 C -ATOM 935 O ASN A 129 25.459 47.398 5.129 1.00 14.62 O -ATOM 936 CB ASN A 129 22.691 49.260 5.878 1.00 15.14 C -ATOM 937 CG ASN A 129 21.911 48.176 5.160 1.00 19.11 C -ATOM 938 OD1 ASN A 129 22.371 47.040 5.114 1.00 15.87 O -ATOM 939 ND2 ASN A 129 20.811 48.560 4.517 1.00 30.20 N -ATOM 940 N ASP A 130 25.184 48.155 7.223 1.00 14.24 N -ATOM 941 CA ASP A 130 26.085 47.155 7.792 1.00 14.92 C -ATOM 942 C ASP A 130 25.594 45.739 7.563 1.00 14.43 C -ATOM 943 O ASP A 130 26.373 44.791 7.303 1.00 15.54 O -ATOM 944 CB ASP A 130 26.279 47.497 9.242 1.00 15.12 C -ATOM 945 CG ASP A 130 27.068 48.734 9.557 1.00 18.41 C -ATOM 946 OD1 ASP A 130 27.457 49.522 8.650 1.00 21.93 O -ATOM 947 OD2 ASP A 130 27.247 49.002 10.783 1.00 22.08 O -ATOM 948 N GLU A 131 24.275 45.568 7.628 1.00 14.32 N -ATOM 949 CA GLU A 131 23.665 44.242 7.404 1.00 15.35 C -ATOM 950 C GLU A 131 23.963 43.701 6.022 1.00 13.39 C -ATOM 951 O GLU A 131 24.150 42.499 5.830 1.00 13.14 O -ATOM 952 CB GLU A 131 22.201 44.278 7.753 1.00 18.42 C -ATOM 953 CG GLU A 131 21.474 42.964 7.698 1.00 23.30 C -ATOM 954 CD GLU A 131 21.905 42.014 8.811 1.00 27.07 C -ATOM 955 OE1 GLU A 131 22.005 42.457 9.969 1.00 37.65 O -ATOM 956 OE2 GLU A 131 22.106 40.834 8.513 1.00 32.51 O -ATOM 957 N SER A 132 24.016 44.584 5.024 1.00 13.86 N -ATOM 958 CA SER A 132 24.353 44.193 3.664 1.00 12.64 C -ATOM 959 C SER A 132 25.696 43.468 3.641 1.00 12.67 C -ATOM 960 O SER A 132 25.800 42.483 2.891 1.00 13.76 O -ATOM 961 CB SER A 132 24.320 45.391 2.737 1.00 14.43 C -ATOM 962 OG SER A 132 24.685 45.044 1.405 1.00 13.58 O -ATOM 963 N LEU A 133 26.678 43.877 4.403 1.00 12.64 N -ATOM 964 CA LEU A 133 27.995 43.292 4.471 1.00 11.90 C -ATOM 965 C LEU A 133 28.071 42.007 5.286 1.00 9.79 C -ATOM 966 O LEU A 133 29.175 41.429 5.342 1.00 14.16 O -ATOM 967 CB LEU A 133 29.087 44.275 4.951 1.00 15.74 C -ATOM 968 CG LEU A 133 29.223 45.543 4.130 1.00 19.76 C -ATOM 969 CD1 LEU A 133 30.159 46.552 4.851 1.00 28.44 C -ATOM 970 CD2 LEU A 133 29.784 45.207 2.799 1.00 24.98 C -ATOM 971 N LYS A 134 26.978 41.599 5.876 1.00 11.21 N -ATOM 972 CA LYS A 134 26.905 40.364 6.620 1.00 11.21 C -ATOM 973 C LYS A 134 26.042 39.312 5.923 1.00 13.31 C -ATOM 974 O LYS A 134 26.440 38.161 5.781 1.00 11.75 O -ATOM 975 CB LYS A 134 26.315 40.630 8.024 1.00 14.03 C -ATOM 976 CG LYS A 134 27.168 41.443 8.918 1.00 21.95 C -ATOM 977 CD LYS A 134 28.512 40.862 9.188 1.00 39.66 C -ATOM 978 CE LYS A 134 29.222 41.603 10.379 1.00 44.99 C -ATOM 979 NZ LYS A 134 30.384 42.309 9.818 1.00 53.34 N -ATOM 980 N THR A 135 24.844 39.690 5.471 1.00 12.68 N -ATOM 981 CA THR A 135 23.871 38.721 4.978 1.00 12.91 C -ATOM 982 C THR A 135 23.286 39.068 3.634 1.00 11.83 C -ATOM 983 O THR A 135 22.433 38.306 3.085 1.00 14.76 O -ATOM 984 CB THR A 135 22.669 38.627 5.980 1.00 15.28 C -ATOM 985 OG1 THR A 135 21.976 39.862 5.991 1.00 15.06 O -ATOM 986 CG2 THR A 135 23.106 38.271 7.366 1.00 18.33 C -ATOM 987 N GLY A 136 23.574 40.249 3.109 1.00 11.21 N -ATOM 988 CA GLY A 136 22.924 40.735 1.888 1.00 12.08 C -ATOM 989 C GLY A 136 21.471 41.107 2.105 1.00 12.33 C -ATOM 990 O GLY A 136 20.730 41.297 1.112 1.00 13.71 O -ATOM 991 N ASN A 137 20.989 41.281 3.329 1.00 12.56 N -ATOM 992 CA ASN A 137 19.607 41.651 3.597 1.00 13.15 C -ATOM 993 C ASN A 137 18.639 40.676 2.991 1.00 10.75 C -ATOM 994 O ASN A 137 17.511 41.040 2.611 1.00 15.89 O -ATOM 995 CB ASN A 137 19.280 43.097 3.159 1.00 13.87 C -ATOM 996 CG ASN A 137 19.949 44.125 4.040 1.00 16.63 C -ATOM 997 OD1 ASN A 137 19.570 44.245 5.254 1.00 19.77 O -ATOM 998 ND2 ASN A 137 20.916 44.887 3.583 1.00 16.13 N -ATOM 999 N ALA A 138 19.018 39.385 2.955 1.00 12.62 N -ATOM 1000 CA ALA A 138 18.205 38.350 2.365 1.00 10.79 C -ATOM 1001 C ALA A 138 17.063 37.878 3.208 1.00 12.00 C -ATOM 1002 O ALA A 138 16.196 37.070 2.799 1.00 13.80 O -ATOM 1003 CB ALA A 138 19.057 37.192 1.880 1.00 13.99 C -ATOM 1004 N GLY A 139 16.992 38.336 4.488 1.00 15.70 N -ATOM 1005 CA GLY A 139 15.864 37.967 5.303 1.00 15.81 C -ATOM 1006 C GLY A 139 15.803 36.555 5.761 1.00 13.27 C -ATOM 1007 O GLY A 139 16.801 35.845 6.002 1.00 15.31 O -ATOM 1008 N GLY A 140 14.586 36.059 5.987 1.00 14.40 N -ATOM 1009 CA GLY A 140 14.287 34.806 6.557 1.00 15.28 C -ATOM 1010 C GLY A 140 14.795 33.592 5.766 1.00 11.10 C -ATOM 1011 O GLY A 140 15.196 33.690 4.617 1.00 13.28 O -ATOM 1012 N ARG A 141 14.796 32.480 6.427 1.00 11.75 N -ATOM 1013 CA ARG A 141 15.295 31.210 5.927 1.00 10.24 C -ATOM 1014 C ARG A 141 14.065 30.332 5.626 1.00 10.90 C -ATOM 1015 O ARG A 141 13.388 29.842 6.541 1.00 15.08 O -ATOM 1016 CB ARG A 141 16.216 30.592 6.967 1.00 11.97 C -ATOM 1017 CG ARG A 141 17.359 31.530 7.330 1.00 11.93 C -ATOM 1018 CD ARG A 141 18.219 30.945 8.461 1.00 14.04 C -ATOM 1019 NE ARG A 141 19.206 31.937 8.869 1.00 14.61 N -ATOM 1020 CZ ARG A 141 20.293 31.727 9.567 1.00 10.20 C -ATOM 1021 NH1 ARG A 141 20.681 30.514 9.956 1.00 14.06 N -ATOM 1022 NH2 ARG A 141 21.087 32.797 9.876 1.00 14.81 N -ATOM 1023 N LEU A 142 13.725 30.225 4.359 1.00 10.19 N -ATOM 1024 CA LEU A 142 12.552 29.497 3.981 1.00 9.73 C -ATOM 1025 C LEU A 142 12.682 28.001 4.039 1.00 9.63 C -ATOM 1026 O LEU A 142 11.728 27.286 4.352 1.00 13.55 O -ATOM 1027 CB LEU A 142 12.117 29.904 2.574 1.00 15.24 C -ATOM 1028 CG LEU A 142 11.763 31.368 2.353 1.00 16.40 C -ATOM 1029 CD1 LEU A 142 11.460 31.616 0.878 1.00 22.44 C -ATOM 1030 CD2 LEU A 142 10.674 31.848 3.250 1.00 27.87 C -ATOM 1031 N ALA A 143 13.850 27.506 3.659 1.00 10.45 N -ATOM 1032 CA ALA A 143 14.144 26.097 3.683 1.00 9.03 C -ATOM 1033 C ALA A 143 15.657 25.875 3.767 1.00 8.44 C -ATOM 1034 O ALA A 143 16.412 26.755 3.331 1.00 10.85 O -ATOM 1035 CB ALA A 143 13.563 25.337 2.510 1.00 10.82 C -ATOM 1036 N CYS A 144 16.042 24.721 4.239 1.00 9.68 N -ATOM 1037 CA CYS A 144 17.449 24.428 4.390 1.00 9.08 C -ATOM 1038 C CYS A 144 17.668 22.916 4.482 1.00 7.53 C -ATOM 1039 O CYS A 144 16.728 22.167 4.719 1.00 9.99 O -ATOM 1040 CB CYS A 144 18.018 25.132 5.613 1.00 10.90 C -ATOM 1041 SG CYS A 144 17.172 24.663 7.161 1.00 13.43 S -ATOM 1042 N GLY A 145 18.892 22.491 4.292 1.00 9.73 N -ATOM 1043 CA GLY A 145 19.259 21.060 4.467 1.00 9.97 C -ATOM 1044 C GLY A 145 20.747 20.917 4.696 1.00 7.59 C -ATOM 1045 O GLY A 145 21.528 21.726 4.164 1.00 9.52 O -ATOM 1046 N VAL A 146 21.144 19.840 5.328 1.00 8.82 N -ATOM 1047 CA VAL A 146 22.547 19.499 5.542 1.00 8.16 C -ATOM 1048 C VAL A 146 23.093 18.799 4.327 1.00 7.85 C -ATOM 1049 O VAL A 146 22.458 17.874 3.791 1.00 10.90 O -ATOM 1050 CB VAL A 146 22.712 18.658 6.833 1.00 8.07 C -ATOM 1051 CG1 VAL A 146 24.156 18.389 7.180 1.00 10.96 C -ATOM 1052 CG2 VAL A 146 22.018 19.396 7.977 1.00 12.71 C -ATOM 1053 N ILE A 147 24.262 19.185 3.878 1.00 8.39 N -ATOM 1054 CA ILE A 147 24.938 18.661 2.712 1.00 7.51 C -ATOM 1055 C ILE A 147 25.698 17.379 3.048 1.00 7.84 C -ATOM 1056 O ILE A 147 26.556 17.367 3.922 1.00 9.54 O -ATOM 1057 CB ILE A 147 25.876 19.744 2.094 1.00 8.05 C -ATOM 1058 CG1 ILE A 147 25.039 21.016 1.659 1.00 9.74 C -ATOM 1059 CG2 ILE A 147 26.649 19.228 0.921 1.00 11.06 C -ATOM 1060 CD1 ILE A 147 25.935 22.210 1.409 1.00 14.50 C -ATOM 1061 N GLY A 148 25.396 16.288 2.341 1.00 8.43 N -ATOM 1062 CA GLY A 148 26.002 14.981 2.536 1.00 8.50 C -ATOM 1063 C GLY A 148 26.526 14.326 1.256 1.00 9.06 C -ATOM 1064 O GLY A 148 26.250 14.737 0.126 1.00 10.98 O -ATOM 1065 N TYR A 149 27.313 13.262 1.438 1.00 7.40 N -ATOM 1066 CA TYR A 149 27.845 12.527 0.281 1.00 8.88 C -ATOM 1067 C TYR A 149 26.726 11.800 -0.435 1.00 8.54 C -ATOM 1068 O TYR A 149 25.778 11.319 0.141 1.00 10.77 O -ATOM 1069 CB TYR A 149 28.880 11.486 0.740 1.00 10.70 C -ATOM 1070 CG TYR A 149 30.142 12.097 1.330 1.00 10.33 C -ATOM 1071 CD1 TYR A 149 31.112 12.623 0.484 1.00 15.69 C -ATOM 1072 CD2 TYR A 149 30.394 12.125 2.670 1.00 12.52 C -ATOM 1073 CE1 TYR A 149 32.261 13.188 0.986 1.00 19.40 C -ATOM 1074 CE2 TYR A 149 31.566 12.676 3.211 1.00 12.68 C -ATOM 1075 CZ TYR A 149 32.492 13.201 2.357 1.00 13.83 C -ATOM 1076 OH TYR A 149 33.653 13.788 2.824 1.00 21.55 O -ATOM 1077 N SER A 150 26.871 11.746 -1.757 1.00 9.79 N -ATOM 1078 CA SER A 150 25.902 11.045 -2.603 1.00 11.41 C -ATOM 1079 C SER A 150 26.649 10.063 -3.515 1.00 12.35 C -ATOM 1080 O SER A 150 27.783 10.306 -3.894 1.00 15.16 O -ATOM 1081 CB ASER A 150 25.379 12.176 -3.609 0.50 9.94 C -ATOM 1082 CB BSER A 150 24.819 11.986 -3.314 0.50 11.56 C -ATOM 1083 OG ASER A 150 24.314 11.629 -4.329 0.50 16.66 O -ATOM 1084 OG BSER A 150 25.446 12.513 -4.439 0.50 19.80 O -ATOM 1085 N PRO A 151 25.912 9.057 -3.984 1.00 14.30 N -ATOM 1086 CA PRO A 151 26.453 8.174 -4.997 1.00 18.96 C -ATOM 1087 C PRO A 151 26.462 8.847 -6.390 1.00 20.59 C -ATOM 1088 O PRO A 151 25.838 9.888 -6.529 1.00 24.71 O -ATOM 1089 CB PRO A 151 25.456 7.005 -5.038 1.00 20.08 C -ATOM 1090 CG PRO A 151 24.205 7.552 -4.465 1.00 19.70 C -ATOM 1091 CD PRO A 151 24.608 8.654 -3.524 1.00 13.86 C -ATOM 1092 OXT PRO A 151 27.086 8.292 -7.280 1.00 33.20 O -TER 1093 PRO A 151 -ATOM 1094 N VAL B 2 35.805 19.041 18.426 1.00 22.90 N -ATOM 1095 CA VAL B 2 34.826 19.254 17.339 1.00 20.95 C -ATOM 1096 C VAL B 2 33.517 18.602 17.772 1.00 14.86 C -ATOM 1097 O VAL B 2 33.551 17.571 18.462 1.00 17.01 O -ATOM 1098 CB VAL B 2 35.285 18.694 15.994 1.00 26.54 C -ATOM 1099 CG1 VAL B 2 35.864 17.334 16.071 1.00 45.28 C -ATOM 1100 CG2 VAL B 2 34.295 18.836 14.853 1.00 29.09 C -ATOM 1101 N LYS B 3 32.421 19.179 17.344 1.00 13.91 N -ATOM 1102 CA LYS B 3 31.102 18.685 17.632 1.00 11.65 C -ATOM 1103 C LYS B 3 30.253 18.524 16.394 1.00 11.36 C -ATOM 1104 O LYS B 3 30.421 19.290 15.436 1.00 10.84 O -ATOM 1105 CB LYS B 3 30.393 19.599 18.641 1.00 15.94 C -ATOM 1106 CG LYS B 3 30.948 19.612 20.013 1.00 23.30 C -ATOM 1107 CD LYS B 3 30.079 20.402 21.000 1.00 29.42 C -ATOM 1108 CE LYS B 3 30.925 21.114 21.996 1.00 40.36 C -ATOM 1109 NZ LYS B 3 30.227 22.245 22.672 0.00 35.51 N -ATOM 1110 N ALA B 4 29.367 17.553 16.410 1.00 9.54 N -ATOM 1111 CA ALA B 4 28.451 17.288 15.298 1.00 7.94 C -ATOM 1112 C ALA B 4 27.090 16.876 15.860 1.00 8.83 C -ATOM 1113 O ALA B 4 26.965 16.564 17.051 1.00 9.48 O -ATOM 1114 CB ALA B 4 28.974 16.242 14.350 1.00 10.57 C -ATOM 1115 N VAL B 5 26.079 16.885 14.997 1.00 8.83 N -ATOM 1116 CA VAL B 5 24.686 16.588 15.374 1.00 8.78 C -ATOM 1117 C VAL B 5 23.969 16.005 14.172 1.00 9.25 C -ATOM 1118 O VAL B 5 24.335 16.257 13.044 1.00 10.86 O -ATOM 1119 CB VAL B 5 23.982 17.879 15.867 1.00 10.17 C -ATOM 1120 CG1 VAL B 5 23.763 18.899 14.740 1.00 14.21 C -ATOM 1121 CG2 VAL B 5 22.685 17.620 16.633 1.00 14.81 C -ATOM 1122 N CYS B 6 22.891 15.281 14.462 1.00 9.57 N -ATOM 1123 CA CYS B 6 21.949 14.877 13.415 1.00 10.64 C -ATOM 1124 C CYS B 6 20.561 14.793 14.026 1.00 8.60 C -ATOM 1125 O CYS B 6 20.407 14.484 15.194 1.00 11.24 O -ATOM 1126 CB ACYS B 6 22.337 13.655 12.647 0.50 11.39 C -ATOM 1127 CB BCYS B 6 22.307 13.433 13.593 0.50 15.42 C -ATOM 1128 SG ACYS B 6 22.249 12.163 13.673 0.50 10.91 S -ATOM 1129 SG BCYS B 6 21.757 12.322 12.290 0.50 15.87 S -ATOM 1130 N VAL B 7 19.623 15.179 13.201 1.00 8.46 N -ATOM 1131 CA VAL B 7 18.192 15.086 13.516 1.00 8.77 C -ATOM 1132 C VAL B 7 17.663 13.880 12.725 1.00 8.98 C -ATOM 1133 O VAL B 7 17.790 13.814 11.540 1.00 10.86 O -ATOM 1134 CB VAL B 7 17.463 16.368 13.121 1.00 11.93 C -ATOM 1135 CG1 VAL B 7 15.958 16.218 13.282 1.00 18.55 C -ATOM 1136 CG2 VAL B 7 17.978 17.534 13.984 1.00 23.06 C -ATOM 1137 N LEU B 8 17.087 12.955 13.487 1.00 10.14 N -ATOM 1138 CA LEU B 8 16.585 11.695 12.875 1.00 10.64 C -ATOM 1139 C LEU B 8 15.103 11.841 12.544 1.00 11.11 C -ATOM 1140 O LEU B 8 14.324 12.266 13.445 1.00 14.35 O -ATOM 1141 CB ALEU B 8 16.685 10.590 13.942 0.50 8.98 C -ATOM 1142 CB BLEU B 8 16.891 10.307 13.454 0.50 12.59 C -ATOM 1143 CG ALEU B 8 18.064 10.177 14.393 0.50 9.02 C -ATOM 1144 CG BLEU B 8 18.340 10.004 13.772 0.50 12.79 C -ATOM 1145 CD1ALEU B 8 18.018 9.151 15.500 0.50 11.66 C -ATOM 1146 CD1BLEU B 8 18.897 10.775 14.925 0.50 18.87 C -ATOM 1147 CD2ALEU B 8 19.004 9.812 13.282 0.50 11.29 C -ATOM 1148 CD2BLEU B 8 18.615 8.527 13.813 0.50 19.68 C -ATOM 1149 N ALA B 9 14.697 11.473 11.345 1.00 12.35 N -ATOM 1150 CA ALA B 9 13.303 11.489 10.910 1.00 11.95 C -ATOM 1151 C ALA B 9 13.104 10.327 9.897 1.00 11.34 C -ATOM 1152 O ALA B 9 14.039 9.843 9.325 1.00 14.01 O -ATOM 1153 CB ALA B 9 12.879 12.784 10.295 1.00 18.38 C -ATOM 1154 N GLY B 10 11.834 9.944 9.787 1.00 13.92 N -ATOM 1155 CA GLY B 10 11.485 8.860 8.908 1.00 17.40 C -ATOM 1156 C GLY B 10 10.134 8.939 8.342 1.00 19.17 C -ATOM 1157 O GLY B 10 9.490 10.002 8.356 1.00 33.73 O -ATOM 1158 N SER B 11 9.603 7.828 7.835 1.00 25.33 N -ATOM 1159 CA SER B 11 8.220 7.937 7.270 1.00 29.45 C -ATOM 1160 C SER B 11 7.159 7.632 8.311 1.00 31.83 C -ATOM 1161 O SER B 11 5.939 7.651 7.975 1.00 43.46 O -ATOM 1162 CB SER B 11 8.118 6.981 6.097 1.00 37.78 C -ATOM 1163 OG SER B 11 8.322 5.647 6.510 1.00 55.41 O -ATOM 1164 N GLY B 12 7.547 7.355 9.536 1.00 30.98 N -ATOM 1165 CA GLY B 12 6.552 7.080 10.628 1.00 29.62 C -ATOM 1166 C GLY B 12 6.711 8.058 11.759 1.00 29.64 C -ATOM 1167 O GLY B 12 7.152 9.214 11.537 1.00 32.07 O -ATOM 1168 N ASP B 13 6.459 7.659 12.990 1.00 29.14 N -ATOM 1169 CA ASP B 13 6.545 8.511 14.152 1.00 30.25 C -ATOM 1170 C ASP B 13 7.841 8.396 14.930 1.00 23.05 C -ATOM 1171 O ASP B 13 7.976 8.953 16.048 1.00 24.71 O -ATOM 1172 CB ASP B 13 5.336 8.235 15.043 1.00 36.77 C -ATOM 1173 CG ASP B 13 4.033 8.345 14.290 1.00 43.22 C -ATOM 1174 OD1 ASP B 13 3.728 9.448 13.791 1.00 62.61 O -ATOM 1175 OD2 ASP B 13 3.309 7.331 14.183 0.00 45.72 O -ATOM 1176 N VAL B 14 8.845 7.747 14.367 1.00 18.57 N -ATOM 1177 CA VAL B 14 10.146 7.676 15.061 1.00 15.38 C -ATOM 1178 C VAL B 14 10.932 8.928 14.757 1.00 14.33 C -ATOM 1179 O VAL B 14 11.104 9.266 13.561 1.00 15.78 O -ATOM 1180 CB VAL B 14 10.936 6.419 14.668 1.00 14.92 C -ATOM 1181 CG1 VAL B 14 12.290 6.370 15.339 1.00 15.22 C -ATOM 1182 CG2 VAL B 14 10.120 5.164 15.012 1.00 17.24 C -ATOM 1183 N LYS B 15 11.480 9.563 15.781 1.00 13.68 N -ATOM 1184 CA LYS B 15 12.261 10.785 15.624 1.00 16.17 C -ATOM 1185 C LYS B 15 13.231 10.906 16.792 1.00 11.27 C -ATOM 1186 O LYS B 15 13.020 10.334 17.821 1.00 15.59 O -ATOM 1187 CB LYS B 15 11.333 12.002 15.583 1.00 21.05 C -ATOM 1188 CG LYS B 15 10.469 12.238 16.760 1.00 30.21 C -ATOM 1189 CD LYS B 15 9.467 13.390 16.510 1.00 39.53 C -ATOM 1190 CE LYS B 15 9.446 14.322 17.710 0.00 38.56 C -ATOM 1191 NZ LYS B 15 8.715 15.587 17.417 0.00 39.49 N -ATOM 1192 N GLY B 16 14.259 11.729 16.596 1.00 11.82 N -ATOM 1193 CA GLY B 16 15.196 11.996 17.625 1.00 12.97 C -ATOM 1194 C GLY B 16 16.355 12.881 17.257 1.00 10.26 C -ATOM 1195 O GLY B 16 16.420 13.421 16.136 1.00 12.45 O -ATOM 1196 N VAL B 17 17.298 13.044 18.182 1.00 10.96 N -ATOM 1197 CA VAL B 17 18.457 13.879 18.007 1.00 9.04 C -ATOM 1198 C VAL B 17 19.658 13.118 18.600 1.00 11.44 C -ATOM 1199 O VAL B 17 19.557 12.560 19.692 1.00 14.98 O -ATOM 1200 CB VAL B 17 18.288 15.251 18.678 1.00 13.50 C -ATOM 1201 CG1 VAL B 17 19.502 16.123 18.558 1.00 17.18 C -ATOM 1202 CG2 VAL B 17 17.090 16.002 18.108 1.00 20.25 C -ATOM 1203 N VAL B 18 20.770 13.161 17.906 1.00 9.96 N -ATOM 1204 CA VAL B 18 22.012 12.543 18.334 1.00 7.88 C -ATOM 1205 C VAL B 18 23.140 13.584 18.243 1.00 8.71 C -ATOM 1206 O VAL B 18 23.284 14.210 17.211 1.00 12.05 O -ATOM 1207 CB VAL B 18 22.368 11.315 17.529 1.00 10.93 C -ATOM 1208 CG1 VAL B 18 23.638 10.625 18.033 1.00 13.44 C -ATOM 1209 CG2 VAL B 18 21.198 10.325 17.515 1.00 18.17 C -ATOM 1210 N HIS B 19 23.916 13.702 19.282 1.00 9.93 N -ATOM 1211 CA HIS B 19 25.062 14.561 19.425 1.00 9.29 C -ATOM 1212 C HIS B 19 26.366 13.749 19.441 1.00 8.50 C -ATOM 1213 O HIS B 19 26.409 12.668 20.031 1.00 12.76 O -ATOM 1214 CB HIS B 19 24.996 15.427 20.688 1.00 12.81 C -ATOM 1215 CG HIS B 19 23.810 16.312 20.701 1.00 19.55 C -ATOM 1216 ND1 HIS B 19 23.897 17.622 20.251 1.00 24.11 N -ATOM 1217 CD2 HIS B 19 22.556 16.137 21.208 1.00 25.44 C -ATOM 1218 CE1 HIS B 19 22.723 18.181 20.377 1.00 27.18 C -ATOM 1219 NE2 HIS B 19 21.897 17.308 20.959 1.00 29.89 N -ATOM 1220 N PHE B 20 27.373 14.314 18.761 1.00 9.44 N -ATOM 1221 CA PHE B 20 28.687 13.689 18.713 1.00 8.99 C -ATOM 1222 C PHE B 20 29.744 14.721 19.163 1.00 9.75 C -ATOM 1223 O PHE B 20 29.653 15.893 18.800 1.00 13.72 O -ATOM 1224 CB PHE B 20 29.080 13.275 17.252 1.00 10.74 C -ATOM 1225 CG PHE B 20 28.100 12.359 16.568 1.00 9.68 C -ATOM 1226 CD1 PHE B 20 26.926 12.878 15.987 1.00 11.95 C -ATOM 1227 CD2 PHE B 20 28.284 10.994 16.542 1.00 11.24 C -ATOM 1228 CE1 PHE B 20 26.017 12.018 15.408 1.00 13.21 C -ATOM 1229 CE2 PHE B 20 27.387 10.145 15.895 1.00 12.53 C -ATOM 1230 CZ PHE B 20 26.264 10.662 15.296 1.00 14.25 C -ATOM 1231 N GLU B 21 30.719 14.246 19.929 1.00 10.74 N -ATOM 1232 CA GLU B 21 31.844 15.149 20.306 1.00 10.03 C -ATOM 1233 C GLU B 21 33.155 14.386 20.294 1.00 9.03 C -ATOM 1234 O GLU B 21 33.234 13.215 20.676 1.00 12.07 O -ATOM 1235 CB GLU B 21 31.550 15.738 21.690 1.00 16.76 C -ATOM 1236 CG GLU B 21 32.559 16.741 22.152 1.00 25.27 C -ATOM 1237 CD GLU B 21 32.153 17.501 23.400 1.00 38.65 C -ATOM 1238 OE1 GLU B 21 31.083 17.177 24.001 1.00 50.07 O -ATOM 1239 OE2 GLU B 21 32.897 18.426 23.769 1.00 50.75 O -ATOM 1240 N GLN B 22 34.213 15.071 19.901 1.00 11.57 N -ATOM 1241 CA GLN B 22 35.532 14.432 19.876 1.00 12.98 C -ATOM 1242 C GLN B 22 36.577 15.467 20.281 1.00 15.74 C -ATOM 1243 O GLN B 22 36.620 16.554 19.733 1.00 18.79 O -ATOM 1244 CB GLN B 22 35.847 13.899 18.482 1.00 13.06 C -ATOM 1245 CG GLN B 22 37.158 13.106 18.411 1.00 14.33 C -ATOM 1246 CD GLN B 22 37.437 12.631 16.996 1.00 14.32 C -ATOM 1247 OE1 GLN B 22 36.961 13.289 16.048 1.00 16.55 O -ATOM 1248 NE2 GLN B 22 38.169 11.521 16.862 1.00 13.73 N -ATOM 1249 N GLN B 23 37.424 15.088 21.212 1.00 20.03 N -ATOM 1250 CA GLN B 23 38.526 15.910 21.640 1.00 25.37 C -ATOM 1251 C GLN B 23 39.824 15.253 21.126 1.00 28.31 C -ATOM 1252 O GLN B 23 39.928 14.006 21.218 1.00 26.57 O -ATOM 1253 CB GLN B 23 38.567 16.125 23.129 1.00 32.82 C -ATOM 1254 CG GLN B 23 37.443 15.480 23.918 0.00 32.44 C -ATOM 1255 CD GLN B 23 37.065 16.275 25.152 0.00 32.70 C -ATOM 1256 OE1 GLN B 23 35.904 16.638 25.339 0.00 32.56 O -ATOM 1257 NE2 GLN B 23 38.047 16.548 26.002 0.00 32.94 N -ATOM 1258 N ASP B 24 40.676 16.061 20.599 1.00 36.92 N -ATOM 1259 CA ASP B 24 41.949 15.578 20.028 1.00 43.41 C -ATOM 1260 C ASP B 24 41.622 14.441 19.077 1.00 42.29 C -ATOM 1261 O ASP B 24 40.658 14.533 18.264 1.00 49.89 O -ATOM 1262 CB ASP B 24 42.787 15.111 21.234 1.00 44.85 C -ATOM 1263 CG ASP B 24 42.379 15.810 22.514 0.00 44.42 C -ATOM 1264 OD1 ASP B 24 42.634 17.026 22.636 0.00 44.37 O -ATOM 1265 OD2 ASP B 24 41.803 15.145 23.400 0.00 44.45 O -ATOM 1266 N GLU B 25 42.365 13.335 19.081 1.00 35.22 N -ATOM 1267 CA GLU B 25 41.898 12.293 18.102 1.00 25.83 C -ATOM 1268 C GLU B 25 41.429 11.092 18.930 1.00 21.26 C -ATOM 1269 O GLU B 25 41.716 9.953 18.595 1.00 24.67 O -ATOM 1270 CB GLU B 25 43.134 11.795 17.287 1.00 34.79 C -ATOM 1271 CG GLU B 25 43.974 12.865 16.708 1.00 47.28 C -ATOM 1272 CD GLU B 25 43.817 13.202 15.262 1.00 59.22 C -ATOM 1273 OE1 GLU B 25 42.816 13.869 14.892 1.00 74.44 O -ATOM 1274 OE2 GLU B 25 44.748 12.909 14.456 1.00 73.45 O -ATOM 1275 N GLY B 25A 40.724 11.395 20.004 1.00 20.45 N -ATOM 1276 CA GLY B 25A 40.296 10.335 20.928 1.00 18.96 C -ATOM 1277 C GLY B 25A 38.970 9.728 20.493 1.00 13.74 C -ATOM 1278 O GLY B 25A 38.420 10.008 19.422 1.00 16.32 O -ATOM 1279 N ALA B 26 38.452 8.889 21.384 1.00 13.31 N -ATOM 1280 CA ALA B 26 37.155 8.261 21.133 1.00 13.48 C -ATOM 1281 C ALA B 26 36.067 9.336 21.011 1.00 12.22 C -ATOM 1282 O ALA B 26 36.102 10.371 21.653 1.00 17.59 O -ATOM 1283 CB ALA B 26 36.798 7.337 22.323 1.00 16.26 C -ATOM 1284 N VAL B 27 35.102 9.033 20.153 1.00 10.77 N -ATOM 1285 CA VAL B 27 33.970 9.944 19.949 1.00 10.07 C -ATOM 1286 C VAL B 27 32.856 9.541 20.945 1.00 9.71 C -ATOM 1287 O VAL B 27 32.538 8.362 21.102 1.00 11.46 O -ATOM 1288 CB VAL B 27 33.427 9.814 18.543 1.00 10.84 C -ATOM 1289 CG1 VAL B 27 32.195 10.661 18.274 1.00 11.17 C -ATOM 1290 CG2 VAL B 27 34.530 10.139 17.499 1.00 11.48 C -ATOM 1291 N SER B 28 32.359 10.571 21.626 1.00 9.80 N -ATOM 1292 CA SER B 28 31.202 10.375 22.538 1.00 11.83 C -ATOM 1293 C SER B 28 29.949 10.643 21.722 1.00 12.42 C -ATOM 1294 O SER B 28 29.833 11.635 20.993 1.00 14.08 O -ATOM 1295 CB ASER B 28 31.335 11.485 23.631 0.50 16.44 C -ATOM 1296 CB BSER B 28 31.355 11.279 23.807 0.50 17.09 C -ATOM 1297 OG ASER B 28 32.380 11.093 24.523 0.50 21.44 O -ATOM 1298 OG BSER B 28 30.137 11.176 24.557 0.50 24.72 O -ATOM 1299 N VAL B 29 28.993 9.737 21.832 1.00 10.57 N -ATOM 1300 CA VAL B 29 27.727 9.794 21.123 1.00 11.65 C -ATOM 1301 C VAL B 29 26.580 9.765 22.148 1.00 12.65 C -ATOM 1302 O VAL B 29 26.481 8.839 22.962 1.00 18.35 O -ATOM 1303 CB VAL B 29 27.571 8.542 20.228 1.00 12.88 C -ATOM 1304 CG1 VAL B 29 26.270 8.650 19.427 1.00 20.91 C -ATOM 1305 CG2 VAL B 29 28.822 8.348 19.359 1.00 17.23 C -ATOM 1306 N GLU B 30 25.778 10.776 22.136 1.00 10.06 N -ATOM 1307 CA GLU B 30 24.683 10.890 23.113 1.00 11.54 C -ATOM 1308 C GLU B 30 23.401 11.235 22.360 1.00 9.92 C -ATOM 1309 O GLU B 30 23.375 12.168 21.559 1.00 13.32 O -ATOM 1310 CB GLU B 30 24.982 11.977 24.136 1.00 19.75 C -ATOM 1311 CG GLU B 30 24.039 12.328 25.190 1.00 35.85 C -ATOM 1312 CD GLU B 30 24.662 12.899 26.466 1.00 45.37 C -ATOM 1313 OE1 GLU B 30 25.690 13.608 26.378 1.00 61.74 O -ATOM 1314 OE2 GLU B 30 24.113 12.632 27.550 0.00 45.75 O -ATOM 1315 N GLY B 31 22.350 10.427 22.555 1.00 12.33 N -ATOM 1316 CA GLY B 31 21.134 10.650 21.867 1.00 14.97 C -ATOM 1317 C GLY B 31 19.888 10.226 22.614 1.00 10.89 C -ATOM 1318 O GLY B 31 19.902 9.575 23.629 1.00 13.03 O -ATOM 1319 N LYS B 32 18.792 10.652 22.007 1.00 10.11 N -ATOM 1320 CA LYS B 32 17.451 10.304 22.478 1.00 11.62 C -ATOM 1321 C LYS B 32 16.587 10.077 21.233 1.00 10.96 C -ATOM 1322 O LYS B 32 16.452 10.968 20.372 1.00 13.71 O -ATOM 1323 CB LYS B 32 16.900 11.485 23.316 1.00 16.26 C -ATOM 1324 CG LYS B 32 15.553 11.268 23.941 1.00 22.22 C -ATOM 1325 CD LYS B 32 15.073 12.409 24.837 1.00 28.34 C -ATOM 1326 CE LYS B 32 13.557 12.590 24.788 1.00 37.68 C -ATOM 1327 NZ LYS B 32 13.189 13.957 24.324 0.00 37.58 N -ATOM 1328 N ILE B 33 15.980 8.932 21.149 1.00 11.84 N -ATOM 1329 CA ILE B 33 15.079 8.546 20.058 1.00 11.23 C -ATOM 1330 C ILE B 33 13.737 8.076 20.599 1.00 11.92 C -ATOM 1331 O ILE B 33 13.711 7.302 21.537 1.00 14.58 O -ATOM 1332 CB ILE B 33 15.720 7.432 19.205 1.00 12.10 C -ATOM 1333 CG1 ILE B 33 17.156 7.814 18.800 1.00 13.36 C -ATOM 1334 CG2 ILE B 33 14.820 7.134 18.008 1.00 15.84 C -ATOM 1335 CD1 ILE B 33 17.928 6.664 18.136 1.00 15.01 C -ATOM 1336 N GLU B 34 12.664 8.659 20.065 1.00 12.60 N -ATOM 1337 CA GLU B 34 11.321 8.388 20.455 1.00 15.36 C -ATOM 1338 C GLU B 34 10.518 7.661 19.394 1.00 12.82 C -ATOM 1339 O GLU B 34 10.859 7.703 18.212 1.00 16.29 O -ATOM 1340 CB GLU B 34 10.547 9.694 20.817 1.00 21.93 C -ATOM 1341 CG GLU B 34 11.304 10.636 21.719 1.00 33.97 C -ATOM 1342 CD GLU B 34 10.817 12.065 21.600 1.00 46.26 C -ATOM 1343 OE1 GLU B 34 9.654 12.265 21.156 1.00 59.91 O -ATOM 1344 OE2 GLU B 34 11.570 12.997 21.953 1.00 63.14 O -ATOM 1345 N GLY B 35 9.498 6.925 19.864 1.00 14.11 N -ATOM 1346 CA GLY B 35 8.628 6.169 19.012 1.00 16.02 C -ATOM 1347 C GLY B 35 9.026 4.760 18.686 1.00 14.75 C -ATOM 1348 O GLY B 35 8.483 4.111 17.756 1.00 19.77 O -ATOM 1349 N LEU B 36 9.889 4.156 19.521 1.00 16.02 N -ATOM 1350 CA LEU B 36 10.409 2.840 19.221 1.00 13.98 C -ATOM 1351 C LEU B 36 9.676 1.770 20.053 1.00 13.32 C -ATOM 1352 O LEU B 36 9.315 1.970 21.192 1.00 17.54 O -ATOM 1353 CB LEU B 36 11.909 2.790 19.683 1.00 15.12 C -ATOM 1354 CG LEU B 36 12.872 3.608 18.852 1.00 11.72 C -ATOM 1355 CD1 LEU B 36 14.269 3.683 19.519 1.00 17.04 C -ATOM 1356 CD2 LEU B 36 13.006 3.059 17.458 1.00 14.04 C -ATOM 1357 N THR B 37 9.608 0.587 19.475 1.00 14.22 N -ATOM 1358 CA THR B 37 9.164 -0.594 20.184 1.00 13.20 C -ATOM 1359 C THR B 37 10.205 -0.986 21.236 1.00 11.21 C -ATOM 1360 O THR B 37 11.370 -0.806 21.045 1.00 12.97 O -ATOM 1361 CB THR B 37 8.907 -1.789 19.235 1.00 15.58 C -ATOM 1362 OG1 THR B 37 10.105 -2.055 18.513 1.00 20.00 O -ATOM 1363 CG2 THR B 37 7.838 -1.389 18.217 1.00 22.06 C -ATOM 1364 N ASP B 38 9.755 -1.577 22.335 1.00 12.57 N -ATOM 1365 CA ASP B 38 10.669 -1.947 23.384 1.00 13.35 C -ATOM 1366 C ASP B 38 11.677 -2.995 22.893 1.00 11.38 C -ATOM 1367 O ASP B 38 11.331 -3.917 22.185 1.00 17.42 O -ATOM 1368 CB ASP B 38 9.893 -2.631 24.519 1.00 19.02 C -ATOM 1369 CG ASP B 38 8.960 -1.790 25.292 1.00 24.09 C -ATOM 1370 OD1 ASP B 38 9.041 -0.577 25.321 1.00 29.42 O -ATOM 1371 OD2 ASP B 38 8.066 -2.418 25.985 1.00 41.67 O -ATOM 1372 N GLY B 39 12.884 -2.874 23.396 1.00 10.70 N -ATOM 1373 CA GLY B 39 13.926 -3.790 23.105 1.00 11.44 C -ATOM 1374 C GLY B 39 15.044 -3.187 22.293 1.00 11.36 C -ATOM 1375 O GLY B 39 15.239 -1.968 22.286 1.00 11.55 O -ATOM 1376 N LEU B 40 15.826 -4.070 21.709 1.00 12.11 N -ATOM 1377 CA LEU B 40 17.059 -3.664 20.997 1.00 11.32 C -ATOM 1378 C LEU B 40 16.749 -3.206 19.577 1.00 10.72 C -ATOM 1379 O LEU B 40 15.938 -3.793 18.846 1.00 12.18 O -ATOM 1380 CB LEU B 40 17.992 -4.895 20.901 1.00 13.17 C -ATOM 1381 CG LEU B 40 18.584 -5.436 22.180 1.00 17.48 C -ATOM 1382 CD1 LEU B 40 19.310 -6.742 21.934 1.00 24.46 C -ATOM 1383 CD2 LEU B 40 19.516 -4.450 22.861 1.00 22.67 C -ATOM 1384 N HIS B 41 17.468 -2.163 19.155 1.00 8.42 N -ATOM 1385 CA HIS B 41 17.395 -1.640 17.783 1.00 9.65 C -ATOM 1386 C HIS B 41 18.816 -1.336 17.291 1.00 8.23 C -ATOM 1387 O HIS B 41 19.551 -0.592 17.956 1.00 9.96 O -ATOM 1388 CB HIS B 41 16.595 -0.301 17.732 1.00 11.65 C -ATOM 1389 CG HIS B 41 15.137 -0.542 18.023 1.00 8.96 C -ATOM 1390 ND1 HIS B 41 14.213 -0.817 17.028 1.00 10.76 N -ATOM 1391 CD2 HIS B 41 14.489 -0.619 19.242 1.00 11.60 C -ATOM 1392 CE1 HIS B 41 13.027 -1.019 17.640 1.00 12.58 C -ATOM 1393 NE2 HIS B 41 13.176 -0.919 18.948 1.00 12.08 N -ATOM 1394 N GLY B 42 19.162 -1.813 16.098 1.00 8.55 N -ATOM 1395 CA GLY B 42 20.451 -1.504 15.555 1.00 7.43 C -ATOM 1396 C GLY B 42 20.663 -0.022 15.332 1.00 8.11 C -ATOM 1397 O GLY B 42 19.738 0.664 14.903 1.00 9.46 O -ATOM 1398 N PHE B 43 21.869 0.455 15.542 1.00 8.39 N -ATOM 1399 CA PHE B 43 22.196 1.884 15.356 1.00 7.19 C -ATOM 1400 C PHE B 43 23.542 1.936 14.620 1.00 7.61 C -ATOM 1401 O PHE B 43 24.585 1.561 15.172 1.00 9.46 O -ATOM 1402 CB PHE B 43 22.298 2.566 16.719 1.00 12.03 C -ATOM 1403 CG PHE B 43 22.543 4.067 16.613 1.00 12.96 C -ATOM 1404 CD1 PHE B 43 21.539 4.901 16.114 1.00 16.45 C -ATOM 1405 CD2 PHE B 43 23.769 4.604 17.014 1.00 17.35 C -ATOM 1406 CE1 PHE B 43 21.759 6.278 16.019 1.00 18.01 C -ATOM 1407 CE2 PHE B 43 23.990 5.982 16.920 1.00 21.11 C -ATOM 1408 CZ PHE B 43 22.985 6.819 16.423 1.00 18.38 C -ATOM 1409 N HIS B 44 23.501 2.389 13.377 1.00 7.40 N -ATOM 1410 CA HIS B 44 24.700 2.399 12.518 1.00 7.19 C -ATOM 1411 C HIS B 44 24.851 3.684 11.716 1.00 6.10 C -ATOM 1412 O HIS B 44 23.901 4.465 11.570 1.00 8.81 O -ATOM 1413 CB HIS B 44 24.627 1.301 11.447 1.00 10.27 C -ATOM 1414 CG HIS B 44 24.122 -0.046 11.958 1.00 7.47 C -ATOM 1415 ND1 HIS B 44 23.116 -0.749 11.301 1.00 9.15 N -ATOM 1416 CD2 HIS B 44 24.479 -0.802 13.027 1.00 9.95 C -ATOM 1417 CE1 HIS B 44 22.899 -1.870 11.963 1.00 9.84 C -ATOM 1418 NE2 HIS B 44 23.705 -1.917 12.995 1.00 9.52 N -ATOM 1419 N ILE B 45 26.066 3.837 11.220 1.00 6.87 N -ATOM 1420 CA ILE B 45 26.430 4.934 10.322 1.00 6.59 C -ATOM 1421 C ILE B 45 26.535 4.365 8.909 1.00 8.17 C -ATOM 1422 O ILE B 45 27.416 3.540 8.616 1.00 8.64 O -ATOM 1423 CB ILE B 45 27.777 5.556 10.710 1.00 7.67 C -ATOM 1424 CG1 ILE B 45 27.837 6.020 12.166 1.00 10.16 C -ATOM 1425 CG2 ILE B 45 28.121 6.793 9.870 1.00 10.67 C -ATOM 1426 CD1 ILE B 45 26.716 6.995 12.532 1.00 12.08 C -ATOM 1427 N HIS B 46 25.615 4.810 8.079 1.00 6.99 N -ATOM 1428 CA HIS B 46 25.555 4.397 6.675 1.00 7.15 C -ATOM 1429 C HIS B 46 26.331 5.401 5.855 1.00 8.43 C -ATOM 1430 O HIS B 46 26.552 6.551 6.276 1.00 9.48 O -ATOM 1431 CB HIS B 46 24.095 4.266 6.242 1.00 8.14 C -ATOM 1432 CG HIS B 46 23.436 3.007 6.820 1.00 7.85 C -ATOM 1433 ND1 HIS B 46 22.874 2.027 6.006 1.00 9.06 N -ATOM 1434 CD2 HIS B 46 23.259 2.579 8.101 1.00 9.26 C -ATOM 1435 CE1 HIS B 46 22.393 1.070 6.782 1.00 11.14 C -ATOM 1436 NE2 HIS B 46 22.614 1.384 8.033 1.00 8.66 N -ATOM 1437 N VAL B 47 26.859 4.978 4.718 1.00 7.38 N -ATOM 1438 CA VAL B 47 27.869 5.674 3.959 1.00 7.86 C -ATOM 1439 C VAL B 47 27.487 6.987 3.386 1.00 9.04 C -ATOM 1440 O VAL B 47 28.283 7.968 3.402 1.00 10.24 O -ATOM 1441 CB VAL B 47 28.520 4.784 2.895 1.00 9.19 C -ATOM 1442 CG1 VAL B 47 27.593 4.227 1.871 1.00 12.95 C -ATOM 1443 CG2 VAL B 47 29.789 5.352 2.305 1.00 14.97 C -ATOM 1444 N PHE B 48 26.315 7.101 2.768 1.00 8.74 N -ATOM 1445 CA PHE B 48 25.975 8.342 2.094 1.00 7.62 C -ATOM 1446 C PHE B 48 25.077 9.226 2.956 1.00 8.06 C -ATOM 1447 O PHE B 48 24.263 8.761 3.735 1.00 16.11 O -ATOM 1448 CB PHE B 48 25.187 8.024 0.776 1.00 9.10 C -ATOM 1449 CG PHE B 48 25.984 7.216 -0.223 1.00 12.10 C -ATOM 1450 CD1 PHE B 48 27.199 7.664 -0.658 1.00 14.35 C -ATOM 1451 CD2 PHE B 48 25.511 5.983 -0.718 1.00 13.77 C -ATOM 1452 CE1 PHE B 48 27.946 6.983 -1.581 1.00 18.06 C -ATOM 1453 CE2 PHE B 48 26.260 5.287 -1.624 1.00 17.58 C -ATOM 1454 CZ PHE B 48 27.510 5.760 -2.055 1.00 18.50 C -ATOM 1455 N GLY B 49 25.204 10.495 2.762 1.00 9.25 N -ATOM 1456 CA GLY B 49 24.404 11.532 3.346 1.00 9.43 C -ATOM 1457 C GLY B 49 23.296 11.948 2.361 1.00 8.43 C -ATOM 1458 O GLY B 49 23.096 13.165 2.202 1.00 13.04 O -ATOM 1459 N ASP B 50 22.648 11.003 1.773 1.00 9.27 N -ATOM 1460 CA ASP B 50 21.645 11.206 0.681 1.00 9.94 C -ATOM 1461 C ASP B 50 20.271 10.766 1.183 1.00 10.82 C -ATOM 1462 O ASP B 50 20.001 9.580 1.402 1.00 11.90 O -ATOM 1463 CB ASP B 50 22.041 10.407 -0.529 1.00 11.88 C -ATOM 1464 CG ASP B 50 21.102 10.573 -1.726 1.00 11.92 C -ATOM 1465 OD1 ASP B 50 19.989 11.085 -1.504 1.00 13.45 O -ATOM 1466 OD2 ASP B 50 21.483 10.190 -2.839 1.00 16.98 O -ATOM 1467 N ASN B 51 19.439 11.790 1.435 1.00 11.93 N -ATOM 1468 CA ASN B 51 18.090 11.474 1.961 1.00 13.48 C -ATOM 1469 C ASN B 51 17.045 11.811 0.955 1.00 11.24 C -ATOM 1470 O ASN B 51 15.844 12.012 1.144 1.00 13.95 O -ATOM 1471 CB AASN B 51 17.967 11.896 3.389 0.50 20.42 C -ATOM 1472 CB BASN B 51 17.735 12.619 2.883 0.50 15.02 C -ATOM 1473 CG AASN B 51 18.821 11.278 4.438 0.50 28.77 C -ATOM 1474 CG BASN B 51 16.740 12.364 3.969 0.50 21.44 C -ATOM 1475 OD1AASN B 51 19.557 10.225 4.357 0.50 31.72 O -ATOM 1476 OD1BASN B 51 16.405 11.206 4.455 0.50 25.30 O -ATOM 1477 ND2AASN B 51 18.777 11.836 5.679 0.50 29.09 N -ATOM 1478 ND2BASN B 51 15.803 13.327 4.177 0.50 25.93 N -ATOM 1479 N THR B 52 17.478 11.779 -0.356 1.00 11.65 N -ATOM 1480 CA THR B 52 16.560 12.015 -1.428 1.00 13.25 C -ATOM 1481 C THR B 52 15.464 10.923 -1.574 1.00 15.47 C -ATOM 1482 O THR B 52 14.393 11.253 -2.129 1.00 20.79 O -ATOM 1483 CB THR B 52 17.201 12.196 -2.799 1.00 13.83 C -ATOM 1484 OG1 THR B 52 17.965 11.043 -3.158 1.00 16.98 O -ATOM 1485 CG2 THR B 52 18.088 13.433 -2.841 1.00 19.03 C -ATOM 1486 N ASN B 53 15.730 9.705 -1.242 1.00 15.41 N -ATOM 1487 CA ASN B 53 14.708 8.602 -1.242 1.00 15.79 C -ATOM 1488 C ASN B 53 14.539 8.155 0.218 1.00 16.88 C -ATOM 1489 O ASN B 53 14.546 7.008 0.536 1.00 20.75 O -ATOM 1490 CB ASN B 53 15.212 7.449 -2.094 1.00 19.72 C -ATOM 1491 CG ASN B 53 14.224 6.505 -2.609 1.00 31.95 C -ATOM 1492 OD1 ASN B 53 13.012 6.741 -2.501 1.00 39.79 O -ATOM 1493 ND2 ASN B 53 14.710 5.370 -3.201 1.00 38.88 N -ATOM 1494 N GLY B 54 14.405 9.185 1.098 1.00 16.47 N -ATOM 1495 CA GLY B 54 14.324 8.863 2.510 1.00 17.39 C -ATOM 1496 C GLY B 54 15.580 8.152 2.979 1.00 15.45 C -ATOM 1497 O GLY B 54 16.685 8.349 2.508 1.00 17.59 O -ATOM 1498 N CYS B 55 15.388 7.204 3.943 1.00 12.00 N -ATOM 1499 CA CYS B 55 16.543 6.468 4.433 1.00 11.65 C -ATOM 1500 C CYS B 55 17.090 5.444 3.453 1.00 11.60 C -ATOM 1501 O CYS B 55 18.168 4.886 3.688 1.00 12.39 O -ATOM 1502 CB CYS B 55 16.226 5.843 5.774 1.00 13.15 C -ATOM 1503 SG CYS B 55 15.599 6.994 7.047 1.00 13.45 S -ATOM 1504 N MET B 56 16.311 5.116 2.415 1.00 13.08 N -ATOM 1505 CA MET B 56 16.693 4.088 1.469 1.00 13.16 C -ATOM 1506 C MET B 56 17.813 4.498 0.544 1.00 12.70 C -ATOM 1507 O MET B 56 18.412 3.611 -0.093 1.00 20.23 O -ATOM 1508 CB MET B 56 15.500 3.509 0.740 1.00 24.62 C -ATOM 1509 CG MET B 56 14.461 2.853 1.732 1.00 36.19 C -ATOM 1510 SD MET B 56 15.196 1.702 2.925 1.00 66.92 S -ATOM 1511 CE MET B 56 16.019 0.565 1.772 1.00117.91 C -ATOM 1512 N SER B 57 18.160 5.782 0.490 1.00 10.10 N -ATOM 1513 CA SER B 57 19.255 6.265 -0.251 1.00 11.85 C -ATOM 1514 C SER B 57 20.556 6.392 0.531 1.00 10.32 C -ATOM 1515 O SER B 57 21.567 6.845 -0.088 1.00 12.49 O -ATOM 1516 CB SER B 57 18.951 7.544 -0.996 1.00 12.36 C -ATOM 1517 OG SER B 57 18.131 8.396 -0.300 1.00 13.98 O -ATOM 1518 N ALA B 58 20.600 6.019 1.782 1.00 8.53 N -ATOM 1519 CA ALA B 58 21.786 6.171 2.615 1.00 8.49 C -ATOM 1520 C ALA B 58 22.895 5.191 2.315 1.00 9.16 C -ATOM 1521 O ALA B 58 23.975 5.324 2.889 1.00 10.68 O -ATOM 1522 CB ALA B 58 21.384 6.143 4.061 1.00 11.60 C -ATOM 1523 N GLY B 59 22.667 4.176 1.491 1.00 9.13 N -ATOM 1524 CA GLY B 59 23.661 3.194 1.139 1.00 10.46 C -ATOM 1525 C GLY B 59 23.853 2.183 2.262 1.00 9.03 C -ATOM 1526 O GLY B 59 23.067 2.115 3.213 1.00 10.05 O -ATOM 1527 N SER B 60 24.903 1.392 2.148 1.00 9.35 N -ATOM 1528 CA SER B 60 25.254 0.396 3.133 1.00 10.25 C -ATOM 1529 C SER B 60 26.080 0.982 4.266 1.00 9.38 C -ATOM 1530 O SER B 60 26.241 2.206 4.364 1.00 10.41 O -ATOM 1531 CB SER B 60 25.915 -0.806 2.438 1.00 16.52 C -ATOM 1532 OG SER B 60 26.984 -0.426 1.635 1.00 28.98 O -ATOM 1533 N HIS B 61 26.600 0.168 5.179 1.00 7.37 N -ATOM 1534 CA HIS B 61 27.404 0.698 6.270 1.00 7.17 C -ATOM 1535 C HIS B 61 28.686 1.322 5.817 1.00 8.41 C -ATOM 1536 O HIS B 61 29.357 0.799 4.900 1.00 11.13 O -ATOM 1537 CB HIS B 61 27.675 -0.407 7.294 1.00 7.61 C -ATOM 1538 CG HIS B 61 26.440 -0.878 7.988 1.00 8.43 C -ATOM 1539 ND1 HIS B 61 26.366 -1.968 8.820 1.00 8.38 N -ATOM 1540 CD2 HIS B 61 25.223 -0.250 8.031 1.00 10.48 C -ATOM 1541 CE1 HIS B 61 25.127 -2.052 9.301 1.00 13.14 C -ATOM 1542 NE2 HIS B 61 24.435 -0.996 8.832 1.00 10.05 N -ATOM 1543 N PHE B 62 29.089 2.406 6.500 1.00 7.71 N -ATOM 1544 CA PHE B 62 30.393 3.029 6.227 1.00 8.28 C -ATOM 1545 C PHE B 62 31.489 1.999 6.516 1.00 7.77 C -ATOM 1546 O PHE B 62 31.624 1.514 7.647 1.00 9.00 O -ATOM 1547 CB PHE B 62 30.529 4.281 7.068 1.00 9.20 C -ATOM 1548 CG PHE B 62 31.809 5.074 6.848 1.00 9.22 C -ATOM 1549 CD1 PHE B 62 32.348 5.203 5.572 1.00 10.80 C -ATOM 1550 CD2 PHE B 62 32.471 5.664 7.906 1.00 11.72 C -ATOM 1551 CE1 PHE B 62 33.466 5.970 5.397 1.00 12.90 C -ATOM 1552 CE2 PHE B 62 33.608 6.444 7.733 1.00 14.52 C -ATOM 1553 CZ PHE B 62 34.121 6.556 6.461 1.00 13.35 C -ATOM 1554 N ASN B 63 32.282 1.615 5.546 1.00 9.51 N -ATOM 1555 CA ASN B 63 33.191 0.499 5.582 1.00 11.12 C -ATOM 1556 C ASN B 63 34.463 0.714 4.805 1.00 12.10 C -ATOM 1557 O ASN B 63 34.777 -0.055 3.872 1.00 14.34 O -ATOM 1558 CB ASN B 63 32.440 -0.756 5.077 1.00 12.18 C -ATOM 1559 CG ASN B 63 33.171 -2.050 5.246 1.00 11.73 C -ATOM 1560 OD1 ASN B 63 34.081 -2.181 6.058 1.00 12.68 O -ATOM 1561 ND2 ASN B 63 32.784 -3.074 4.458 1.00 13.71 N -ATOM 1562 N PRO B 64 35.252 1.735 5.114 1.00 11.17 N -ATOM 1563 CA PRO B 64 36.478 1.997 4.311 1.00 14.58 C -ATOM 1564 C PRO B 64 37.482 0.918 4.355 1.00 16.66 C -ATOM 1565 O PRO B 64 38.346 0.828 3.474 1.00 21.29 O -ATOM 1566 CB PRO B 64 36.988 3.308 4.840 1.00 17.28 C -ATOM 1567 CG PRO B 64 36.454 3.305 6.265 1.00 16.27 C -ATOM 1568 CD PRO B 64 35.085 2.696 6.176 1.00 15.08 C -ATOM 1569 N GLU B 65 37.466 0.041 5.345 1.00 16.34 N -ATOM 1570 CA GLU B 65 38.471 -1.006 5.447 1.00 19.60 C -ATOM 1571 C GLU B 65 38.044 -2.306 4.781 1.00 20.30 C -ATOM 1572 O GLU B 65 38.791 -3.283 4.797 1.00 26.96 O -ATOM 1573 CB GLU B 65 38.864 -1.264 6.909 1.00 22.51 C -ATOM 1574 CG GLU B 65 39.429 -0.106 7.668 1.00 20.95 C -ATOM 1575 CD GLU B 65 40.777 0.372 7.125 1.00 24.39 C -ATOM 1576 OE1 GLU B 65 41.546 -0.477 6.692 1.00 30.79 O -ATOM 1577 OE2 GLU B 65 41.005 1.612 7.203 1.00 37.00 O -ATOM 1578 N ASN B 66 36.819 -2.383 4.212 1.00 17.51 N -ATOM 1579 CA ASN B 66 36.364 -3.582 3.540 1.00 20.52 C -ATOM 1580 C ASN B 66 36.264 -4.815 4.432 1.00 17.18 C -ATOM 1581 O ASN B 66 36.616 -5.957 4.048 1.00 21.73 O -ATOM 1582 CB ASN B 66 37.188 -3.872 2.312 1.00 29.81 C -ATOM 1583 CG ASN B 66 37.419 -2.688 1.415 1.00 41.54 C -ATOM 1584 OD1 ASN B 66 36.509 -2.260 0.701 1.00 73.59 O -ATOM 1585 ND2 ASN B 66 38.629 -2.133 1.431 0.00 46.23 N -ATOM 1586 N LYS B 67 35.746 -4.582 5.624 1.00 16.40 N -ATOM 1587 CA LYS B 67 35.570 -5.683 6.567 1.00 16.91 C -ATOM 1588 C LYS B 67 34.158 -6.183 6.586 1.00 15.06 C -ATOM 1589 O LYS B 67 33.239 -5.639 5.943 1.00 15.64 O -ATOM 1590 CB LYS B 67 36.070 -5.253 7.973 1.00 18.31 C -ATOM 1591 CG LYS B 67 37.615 -5.054 7.920 1.00 26.39 C -ATOM 1592 CD LYS B 67 38.263 -5.043 9.243 1.00 30.26 C -ATOM 1593 CE LYS B 67 39.790 -4.991 9.196 1.00 37.10 C -ATOM 1594 NZ LYS B 67 40.373 -5.389 10.492 1.00 46.61 N -ATOM 1595 N ASN B 68 33.929 -7.236 7.379 1.00 15.86 N -ATOM 1596 CA ASN B 68 32.621 -7.746 7.620 1.00 13.55 C -ATOM 1597 C ASN B 68 31.949 -6.965 8.757 1.00 11.52 C -ATOM 1598 O ASN B 68 32.618 -6.291 9.539 1.00 14.29 O -ATOM 1599 CB ASN B 68 32.714 -9.235 8.009 1.00 13.50 C -ATOM 1600 CG ASN B 68 33.185 -10.105 6.902 1.00 17.32 C -ATOM 1601 OD1 ASN B 68 34.017 -11.006 7.139 1.00 37.30 O -ATOM 1602 ND2 ASN B 68 32.652 -9.947 5.728 1.00 21.80 N -ATOM 1603 N HIS B 69 30.610 -7.086 8.785 1.00 11.61 N -ATOM 1604 CA HIS B 69 29.818 -6.533 9.881 1.00 8.76 C -ATOM 1605 C HIS B 69 30.068 -7.344 11.171 1.00 10.40 C -ATOM 1606 O HIS B 69 30.187 -8.532 11.157 1.00 13.61 O -ATOM 1607 CB HIS B 69 28.312 -6.684 9.533 1.00 8.68 C -ATOM 1608 CG HIS B 69 27.404 -6.063 10.543 1.00 8.33 C -ATOM 1609 ND1 HIS B 69 27.133 -4.676 10.560 1.00 8.36 N -ATOM 1610 CD2 HIS B 69 26.735 -6.641 11.573 1.00 9.93 C -ATOM 1611 CE1 HIS B 69 26.336 -4.458 11.618 1.00 9.74 C -ATOM 1612 NE2 HIS B 69 26.086 -5.639 12.204 1.00 9.58 N -ATOM 1613 N GLY B 70 30.170 -6.559 12.270 1.00 9.35 N -ATOM 1614 CA GLY B 70 30.366 -7.142 13.566 1.00 11.06 C -ATOM 1615 C GLY B 70 29.892 -6.261 14.704 1.00 11.96 C -ATOM 1616 O GLY B 70 29.196 -5.257 14.499 1.00 12.80 O -ATOM 1617 N ALA B 71 30.276 -6.646 15.920 1.00 12.10 N -ATOM 1618 CA ALA B 71 29.959 -5.870 17.106 1.00 9.96 C -ATOM 1619 C ALA B 71 30.938 -4.693 17.241 1.00 9.74 C -ATOM 1620 O ALA B 71 32.055 -4.778 16.723 1.00 11.63 O -ATOM 1621 CB ALA B 71 30.071 -6.730 18.325 1.00 13.76 C -ATOM 1622 N PRO B 72 30.581 -3.666 18.002 1.00 10.08 N -ATOM 1623 CA PRO B 72 31.532 -2.565 18.244 1.00 11.20 C -ATOM 1624 C PRO B 72 32.814 -3.013 18.882 1.00 12.23 C -ATOM 1625 O PRO B 72 33.877 -2.438 18.620 1.00 12.30 O -ATOM 1626 CB PRO B 72 30.759 -1.608 19.129 1.00 16.90 C -ATOM 1627 CG PRO B 72 29.376 -1.997 19.107 1.00 16.66 C -ATOM 1628 CD PRO B 72 29.238 -3.342 18.492 1.00 13.62 C -ATOM 1629 N GLY B 73 32.808 -4.092 19.657 1.00 13.52 N -ATOM 1630 CA GLY B 73 33.990 -4.632 20.268 1.00 13.75 C -ATOM 1631 C GLY B 73 34.797 -5.578 19.457 1.00 13.51 C -ATOM 1632 O GLY B 73 35.823 -6.048 19.941 1.00 17.76 O -ATOM 1633 N ASP B 74 34.389 -5.956 18.238 1.00 13.36 N -ATOM 1634 CA ASP B 74 35.129 -6.873 17.388 1.00 13.02 C -ATOM 1635 C ASP B 74 36.178 -6.099 16.569 1.00 14.74 C -ATOM 1636 O ASP B 74 35.983 -4.964 16.219 1.00 15.87 O -ATOM 1637 CB ASP B 74 34.153 -7.496 16.347 1.00 13.70 C -ATOM 1638 CG ASP B 74 33.180 -8.469 16.982 1.00 13.40 C -ATOM 1639 OD1 ASP B 74 33.501 -9.002 18.092 1.00 22.26 O -ATOM 1640 OD2 ASP B 74 32.175 -8.834 16.384 1.00 16.42 O -ATOM 1641 N THR B 75 37.302 -6.782 16.238 1.00 15.77 N -ATOM 1642 CA THR B 75 38.229 -6.151 15.297 1.00 19.59 C -ATOM 1643 C THR B 75 37.709 -6.277 13.876 1.00 18.26 C -ATOM 1644 O THR B 75 38.020 -5.428 13.049 1.00 21.47 O -ATOM 1645 CB THR B 75 39.654 -6.687 15.415 1.00 27.72 C -ATOM 1646 OG1 THR B 75 39.653 -8.114 15.313 1.00 34.98 O -ATOM 1647 CG2 THR B 75 40.147 -6.415 16.857 1.00 35.05 C -ATOM 1648 N ASP B 76 36.926 -7.302 13.559 1.00 15.81 N -ATOM 1649 CA ASP B 76 36.318 -7.429 12.222 1.00 12.97 C -ATOM 1650 C ASP B 76 34.906 -6.804 12.321 1.00 11.83 C -ATOM 1651 O ASP B 76 33.969 -7.466 12.686 1.00 14.33 O -ATOM 1652 CB ASP B 76 36.215 -8.845 11.745 1.00 17.64 C -ATOM 1653 CG ASP B 76 35.896 -9.082 10.302 1.00 27.44 C -ATOM 1654 OD1 ASP B 76 35.964 -8.166 9.459 1.00 26.93 O -ATOM 1655 OD2 ASP B 76 35.570 -10.278 9.922 1.00 30.63 O -ATOM 1656 N ARG B 77 34.859 -5.527 12.062 1.00 11.48 N -ATOM 1657 CA ARG B 77 33.610 -4.757 12.075 1.00 8.79 C -ATOM 1658 C ARG B 77 33.697 -3.660 11.034 1.00 9.54 C -ATOM 1659 O ARG B 77 34.829 -3.267 10.652 1.00 11.02 O -ATOM 1660 CB ARG B 77 33.360 -4.100 13.478 1.00 11.64 C -ATOM 1661 CG ARG B 77 34.486 -3.181 13.873 1.00 10.39 C -ATOM 1662 CD ARG B 77 34.147 -2.310 15.050 1.00 12.01 C -ATOM 1663 NE ARG B 77 33.402 -1.107 14.746 1.00 10.45 N -ATOM 1664 CZ ARG B 77 33.349 -0.050 15.543 1.00 8.70 C -ATOM 1665 NH1 ARG B 77 33.683 -0.114 16.820 1.00 9.89 N -ATOM 1666 NH2 ARG B 77 32.854 1.110 15.047 1.00 10.63 N -ATOM 1667 N HIS B 78 32.569 -3.119 10.618 1.00 9.40 N -ATOM 1668 CA HIS B 78 32.600 -1.905 9.800 1.00 9.01 C -ATOM 1669 C HIS B 78 32.854 -0.675 10.708 1.00 9.34 C -ATOM 1670 O HIS B 78 32.463 -0.675 11.884 1.00 9.60 O -ATOM 1671 CB HIS B 78 31.168 -1.684 9.208 1.00 9.71 C -ATOM 1672 CG HIS B 78 30.688 -2.795 8.343 1.00 10.12 C -ATOM 1673 ND1 HIS B 78 29.379 -3.205 8.253 1.00 9.66 N -ATOM 1674 CD2 HIS B 78 31.450 -3.548 7.439 1.00 11.54 C -ATOM 1675 CE1 HIS B 78 29.325 -4.157 7.297 1.00 9.48 C -ATOM 1676 NE2 HIS B 78 30.544 -4.372 6.805 1.00 12.08 N -ATOM 1677 N VAL B 79 33.459 0.364 10.174 1.00 8.32 N -ATOM 1678 CA VAL B 79 33.613 1.607 10.951 1.00 8.10 C -ATOM 1679 C VAL B 79 32.255 2.085 11.452 1.00 8.09 C -ATOM 1680 O VAL B 79 32.095 2.527 12.592 1.00 9.80 O -ATOM 1681 CB VAL B 79 34.288 2.704 10.071 1.00 9.99 C -ATOM 1682 CG1 VAL B 79 34.258 4.054 10.831 1.00 11.68 C -ATOM 1683 CG2 VAL B 79 35.795 2.381 9.835 1.00 13.01 C -ATOM 1684 N GLY B 80 31.176 1.901 10.644 1.00 8.25 N -ATOM 1685 CA GLY B 80 29.868 2.311 11.109 1.00 8.60 C -ATOM 1686 C GLY B 80 29.062 1.444 12.021 1.00 7.68 C -ATOM 1687 O GLY B 80 27.898 1.817 12.350 1.00 8.60 O -ATOM 1688 N ASP B 81 29.645 0.368 12.581 1.00 7.80 N -ATOM 1689 CA ASP B 81 28.976 -0.582 13.436 1.00 7.28 C -ATOM 1690 C ASP B 81 28.987 -0.191 14.907 1.00 6.70 C -ATOM 1691 O ASP B 81 29.866 -0.540 15.660 1.00 11.69 O -ATOM 1692 CB ASP B 81 29.608 -1.952 13.278 1.00 8.62 C -ATOM 1693 CG ASP B 81 29.348 -2.559 11.900 1.00 7.13 C -ATOM 1694 OD1 ASP B 81 28.449 -2.043 11.178 1.00 7.84 O -ATOM 1695 OD2 ASP B 81 29.976 -3.586 11.593 1.00 8.57 O -ATOM 1696 N LEU B 82 27.915 0.548 15.327 1.00 7.86 N -ATOM 1697 CA LEU B 82 27.716 1.030 16.640 1.00 7.82 C -ATOM 1698 C LEU B 82 26.851 0.181 17.515 1.00 10.13 C -ATOM 1699 O LEU B 82 26.478 0.574 18.632 1.00 13.06 O -ATOM 1700 CB LEU B 82 27.355 2.509 16.642 1.00 7.82 C -ATOM 1701 CG LEU B 82 28.262 3.478 15.969 1.00 11.37 C -ATOM 1702 CD1 LEU B 82 27.711 4.905 16.040 1.00 15.49 C -ATOM 1703 CD2 LEU B 82 29.701 3.466 16.488 1.00 20.47 C -ATOM 1704 N GLY B 83 26.496 -1.025 17.036 1.00 8.74 N -ATOM 1705 CA GLY B 83 25.709 -1.975 17.835 1.00 9.34 C -ATOM 1706 C GLY B 83 24.259 -1.644 18.002 1.00 8.89 C -ATOM 1707 O GLY B 83 23.619 -1.273 17.022 1.00 13.02 O -ATOM 1708 N ASN B 84 23.702 -1.855 19.192 1.00 9.82 N -ATOM 1709 CA ASN B 84 22.343 -1.661 19.512 1.00 9.06 C -ATOM 1710 C ASN B 84 22.121 -0.580 20.580 1.00 9.60 C -ATOM 1711 O ASN B 84 22.923 -0.390 21.468 1.00 14.17 O -ATOM 1712 CB ASN B 84 21.711 -2.972 20.051 1.00 10.69 C -ATOM 1713 CG ASN B 84 21.580 -4.049 19.022 1.00 9.89 C -ATOM 1714 OD1 ASN B 84 20.815 -3.892 18.058 1.00 12.41 O -ATOM 1715 ND2 ASN B 84 22.268 -5.181 19.240 1.00 13.27 N -ATOM 1716 N VAL B 85 20.962 0.081 20.447 1.00 10.18 N -ATOM 1717 CA VAL B 85 20.408 0.897 21.487 1.00 9.80 C -ATOM 1718 C VAL B 85 19.164 0.208 22.052 1.00 8.66 C -ATOM 1719 O VAL B 85 18.523 -0.579 21.362 1.00 11.99 O -ATOM 1720 CB VAL B 85 20.124 2.337 21.087 1.00 12.13 C -ATOM 1721 CG1 VAL B 85 21.425 3.022 20.562 1.00 15.50 C -ATOM 1722 CG2 VAL B 85 19.022 2.422 20.010 1.00 14.82 C -ATOM 1723 N THR B 86 18.850 0.478 23.307 1.00 10.35 N -ATOM 1724 CA THR B 86 17.733 -0.200 23.989 1.00 10.74 C -ATOM 1725 C THR B 86 16.600 0.793 24.227 1.00 11.15 C -ATOM 1726 O THR B 86 16.844 1.839 24.866 1.00 14.25 O -ATOM 1727 CB THR B 86 18.186 -0.790 25.343 1.00 12.44 C -ATOM 1728 OG1 THR B 86 19.231 -1.729 25.124 1.00 17.40 O -ATOM 1729 CG2 THR B 86 17.036 -1.454 26.048 1.00 19.01 C -ATOM 1730 N ALA B 87 15.418 0.461 23.774 1.00 10.10 N -ATOM 1731 CA ALA B 87 14.237 1.287 24.011 1.00 11.56 C -ATOM 1732 C ALA B 87 13.419 0.751 25.178 1.00 12.15 C -ATOM 1733 O ALA B 87 13.231 -0.472 25.262 1.00 13.44 O -ATOM 1734 CB ALA B 87 13.362 1.405 22.778 1.00 13.13 C -ATOM 1735 N GLU B 88 12.963 1.682 26.014 1.00 11.24 N -ATOM 1736 CA GLU B 88 12.077 1.400 27.142 1.00 12.36 C -ATOM 1737 C GLU B 88 10.997 2.506 27.206 1.00 13.32 C -ATOM 1738 O GLU B 88 11.314 3.658 27.135 1.00 15.53 O -ATOM 1739 CB GLU B 88 12.864 1.448 28.465 1.00 17.68 C -ATOM 1740 CG GLU B 88 13.864 0.430 28.671 1.00 17.01 C -ATOM 1741 CD GLU B 88 14.649 0.476 29.978 1.00 20.19 C -ATOM 1742 OE1 GLU B 88 14.553 1.515 30.678 1.00 27.39 O -ATOM 1743 OE2 GLU B 88 15.437 -0.458 30.210 1.00 24.82 O -ATOM 1744 N GLY B 90 9.713 2.092 27.328 1.00 17.82 N -ATOM 1745 CA GLY B 90 8.634 3.054 27.357 1.00 21.21 C -ATOM 1746 C GLY B 90 8.628 3.941 26.125 1.00 22.66 C -ATOM 1747 O GLY B 90 8.224 5.107 26.192 1.00 25.34 O -ATOM 1748 N GLY B 91 9.083 3.400 25.000 1.00 18.93 N -ATOM 1749 CA GLY B 91 9.083 4.101 23.745 1.00 18.08 C -ATOM 1750 C GLY B 91 10.315 4.885 23.420 1.00 14.59 C -ATOM 1751 O GLY B 91 10.405 5.465 22.285 1.00 21.62 O -ATOM 1752 N VAL B 92 11.226 5.015 24.353 1.00 13.80 N -ATOM 1753 CA VAL B 92 12.367 5.898 24.211 1.00 12.52 C -ATOM 1754 C VAL B 92 13.667 5.149 24.409 1.00 12.37 C -ATOM 1755 O VAL B 92 13.797 4.385 25.362 1.00 13.13 O -ATOM 1756 CB AVAL B 92 12.287 7.003 25.296 0.50 10.80 C -ATOM 1757 CB BVAL B 92 12.514 7.322 24.749 0.50 15.72 C -ATOM 1758 CG1AVAL B 92 13.356 8.075 25.034 0.50 10.71 C -ATOM 1759 CG1BVAL B 92 11.200 8.084 24.765 0.50 18.30 C -ATOM 1760 CG2AVAL B 92 10.939 7.588 25.438 0.50 19.00 C -ATOM 1761 CG2BVAL B 92 13.309 7.469 25.962 0.50 20.59 C -ATOM 1762 N ALA B 93 14.644 5.485 23.537 1.00 12.02 N -ATOM 1763 CA ALA B 93 16.013 5.057 23.716 1.00 10.62 C -ATOM 1764 C ALA B 93 16.878 6.289 24.049 1.00 12.00 C -ATOM 1765 O ALA B 93 16.936 7.182 23.237 1.00 15.04 O -ATOM 1766 CB ALA B 93 16.617 4.382 22.470 1.00 14.24 C -ATOM 1767 N GLN B 94 17.444 6.293 25.237 1.00 13.98 N -ATOM 1768 CA GLN B 94 18.323 7.439 25.627 1.00 14.08 C -ATOM 1769 C GLN B 94 19.638 6.765 26.017 1.00 12.31 C -ATOM 1770 O GLN B 94 19.680 5.846 26.811 1.00 20.67 O -ATOM 1771 CB GLN B 94 17.704 8.133 26.871 1.00 20.34 C -ATOM 1772 CG GLN B 94 18.379 9.412 27.258 1.00 36.83 C -ATOM 1773 CD GLN B 94 17.566 10.307 28.164 1.00 51.52 C -ATOM 1774 OE1 GLN B 94 16.392 10.036 28.489 1.00 54.63 O -ATOM 1775 NE2 GLN B 94 18.199 11.387 28.645 1.00 64.33 N -ATOM 1776 N PHE B 95 20.684 7.199 25.280 1.00 13.23 N -ATOM 1777 CA PHE B 95 21.935 6.487 25.358 1.00 13.93 C -ATOM 1778 C PHE B 95 23.144 7.374 25.289 1.00 11.56 C -ATOM 1779 O PHE B 95 23.055 8.507 24.804 1.00 12.51 O -ATOM 1780 CB PHE B 95 21.974 5.404 24.260 1.00 16.31 C -ATOM 1781 CG PHE B 95 21.862 6.003 22.878 1.00 14.04 C -ATOM 1782 CD1 PHE B 95 20.636 6.242 22.304 1.00 15.39 C -ATOM 1783 CD2 PHE B 95 23.010 6.308 22.136 1.00 18.31 C -ATOM 1784 CE1 PHE B 95 20.523 6.779 21.046 1.00 18.85 C -ATOM 1785 CE2 PHE B 95 22.931 6.802 20.894 1.00 20.96 C -ATOM 1786 CZ PHE B 95 21.687 7.051 20.311 1.00 22.18 C -ATOM 1787 N LYS B 96 24.264 6.857 25.801 1.00 13.91 N -ATOM 1788 CA LYS B 96 25.544 7.519 25.803 1.00 16.51 C -ATOM 1789 C LYS B 96 26.583 6.423 25.552 1.00 16.81 C -ATOM 1790 O LYS B 96 26.752 5.516 26.339 1.00 30.51 O -ATOM 1791 CB LYS B 96 25.803 8.210 27.141 1.00 24.41 C -ATOM 1792 CG LYS B 96 27.150 8.940 27.177 1.00 37.98 C -ATOM 1793 CD LYS B 96 27.239 9.974 28.298 0.00 37.59 C -ATOM 1794 CE LYS B 96 28.677 10.355 28.650 0.00 37.52 C -ATOM 1795 NZ LYS B 96 28.774 11.648 29.341 0.00 37.60 N -ATOM 1796 N ILE B 97 27.210 6.484 24.367 1.00 13.87 N -ATOM 1797 CA ILE B 97 28.227 5.537 24.045 1.00 16.06 C -ATOM 1798 C ILE B 97 29.492 6.230 23.560 1.00 11.37 C -ATOM 1799 O ILE B 97 29.538 7.402 23.240 1.00 16.42 O -ATOM 1800 CB ILE B 97 27.754 4.466 23.095 1.00 19.72 C -ATOM 1801 CG1 ILE B 97 27.432 5.061 21.712 1.00 18.56 C -ATOM 1802 CG2 ILE B 97 26.421 3.807 23.578 1.00 30.84 C -ATOM 1803 CD1 ILE B 97 27.507 4.071 20.625 1.00 38.25 C -ATOM 1804 N THR B 98 30.585 5.436 23.537 1.00 12.22 N -ATOM 1805 CA THR B 98 31.806 5.885 22.953 1.00 11.07 C -ATOM 1806 C THR B 98 32.243 4.923 21.852 1.00 9.83 C -ATOM 1807 O THR B 98 31.943 3.728 21.932 1.00 13.07 O -ATOM 1808 CB THR B 98 32.967 6.007 23.983 1.00 13.12 C -ATOM 1809 OG1 THR B 98 33.109 4.747 24.604 1.00 17.35 O -ATOM 1810 CG2 THR B 98 32.586 7.001 25.051 1.00 20.07 C -ATOM 1811 N ASP B 99 32.949 5.430 20.874 1.00 8.81 N -ATOM 1812 CA ASP B 99 33.497 4.568 19.832 1.00 9.10 C -ATOM 1813 C ASP B 99 34.866 5.060 19.415 1.00 8.84 C -ATOM 1814 O ASP B 99 35.046 6.289 19.284 1.00 11.60 O -ATOM 1815 CB ASP B 99 32.579 4.527 18.600 1.00 9.73 C -ATOM 1816 CG ASP B 99 32.986 3.423 17.635 1.00 11.74 C -ATOM 1817 OD1 ASP B 99 32.685 2.252 17.964 1.00 14.10 O -ATOM 1818 OD2 ASP B 99 33.625 3.712 16.611 1.00 11.70 O -ATOM 1819 N SER B 100 35.770 4.114 19.172 1.00 11.02 N -ATOM 1820 CA SER B 100 37.134 4.425 18.835 1.00 9.98 C -ATOM 1821 C SER B 100 37.487 4.322 17.366 1.00 10.91 C -ATOM 1822 O SER B 100 38.623 4.647 17.005 1.00 15.75 O -ATOM 1823 CB ASER B 100 38.032 3.445 19.650 0.50 8.10 C -ATOM 1824 CB BSER B 100 38.434 3.950 19.539 0.50 14.68 C -ATOM 1825 OG ASER B 100 37.888 3.804 21.024 0.50 9.37 O -ATOM 1826 OG BSER B 100 38.128 2.707 20.152 0.50 33.45 O -ATOM 1827 N LEU B 101 36.587 3.922 16.503 1.00 10.04 N -ATOM 1828 CA LEU B 101 36.803 3.809 15.074 1.00 9.00 C -ATOM 1829 C LEU B 101 36.226 4.973 14.298 1.00 11.17 C -ATOM 1830 O LEU B 101 36.886 5.483 13.357 1.00 12.85 O -ATOM 1831 CB LEU B 101 36.375 2.495 14.469 1.00 12.88 C -ATOM 1832 CG LEU B 101 37.235 1.270 14.582 1.00 21.06 C -ATOM 1833 CD1 LEU B 101 36.612 0.177 13.649 1.00 24.46 C -ATOM 1834 CD2 LEU B 101 38.611 1.632 13.866 1.00 40.29 C -ATOM 1835 N ILE B 102 35.000 5.381 14.645 1.00 10.87 N -ATOM 1836 CA ILE B 102 34.484 6.579 13.938 1.00 8.99 C -ATOM 1837 C ILE B 102 35.346 7.772 14.375 1.00 9.98 C -ATOM 1838 O ILE B 102 35.944 7.775 15.423 1.00 10.88 O -ATOM 1839 CB ILE B 102 33.022 6.829 14.243 1.00 9.92 C -ATOM 1840 CG1 ILE B 102 32.746 7.009 15.741 1.00 11.18 C -ATOM 1841 CG2 ILE B 102 32.124 5.746 13.670 1.00 11.52 C -ATOM 1842 CD1 ILE B 102 31.335 7.493 16.044 1.00 13.06 C -ATOM 1843 N SER B 103 35.250 8.843 13.569 1.00 9.31 N -ATOM 1844 CA SER B 103 35.918 10.077 13.864 1.00 8.95 C -ATOM 1845 C SER B 103 35.103 11.257 13.329 1.00 9.85 C -ATOM 1846 O SER B 103 34.203 11.012 12.526 1.00 10.21 O -ATOM 1847 CB ASER B 103 37.335 10.093 13.270 0.50 9.04 C -ATOM 1848 CB BSER B 103 37.320 10.183 13.235 0.50 10.96 C -ATOM 1849 OG ASER B 103 38.052 11.231 13.720 0.75 10.51 O -ATOM 1850 OG BSER B 103 37.209 10.348 11.828 0.25 19.94 O -ATOM 1851 N LEU B 104 35.399 12.468 13.768 1.00 10.02 N -ATOM 1852 CA LEU B 104 34.793 13.657 13.242 1.00 8.84 C -ATOM 1853 C LEU B 104 35.730 14.437 12.323 1.00 9.81 C -ATOM 1854 O LEU B 104 35.410 15.564 11.938 1.00 12.90 O -ATOM 1855 CB LEU B 104 34.188 14.558 14.324 1.00 10.64 C -ATOM 1856 CG LEU B 104 33.152 13.894 15.230 1.00 11.08 C -ATOM 1857 CD1 LEU B 104 32.660 14.877 16.273 1.00 14.45 C -ATOM 1858 CD2 LEU B 104 32.012 13.254 14.459 1.00 14.35 C -ATOM 1859 N LYS B 105 36.874 13.897 11.992 1.00 11.37 N -ATOM 1860 CA LYS B 105 37.869 14.471 11.126 1.00 13.65 C -ATOM 1861 C LYS B 105 38.669 13.385 10.435 1.00 14.73 C -ATOM 1862 O LYS B 105 38.672 12.241 10.924 1.00 17.31 O -ATOM 1863 CB LYS B 105 38.814 15.392 11.903 1.00 19.68 C -ATOM 1864 CG LYS B 105 39.451 14.725 13.116 1.00 29.49 C -ATOM 1865 CD LYS B 105 39.714 15.705 14.257 0.00 27.86 C -ATOM 1866 CE LYS B 105 40.213 17.067 13.773 0.00 27.99 C -ATOM 1867 NZ LYS B 105 40.055 18.125 14.782 0.00 27.91 N -ATOM 1868 N GLY B 106 39.337 13.642 9.352 1.00 15.73 N -ATOM 1869 CA GLY B 106 40.222 12.664 8.714 1.00 17.11 C -ATOM 1870 C GLY B 106 39.445 11.604 7.918 1.00 14.48 C -ATOM 1871 O GLY B 106 38.249 11.740 7.658 1.00 16.99 O -ATOM 1872 N PRO B 107 40.182 10.550 7.491 1.00 16.34 N -ATOM 1873 CA PRO B 107 39.619 9.538 6.644 1.00 15.36 C -ATOM 1874 C PRO B 107 38.393 8.849 7.168 1.00 14.30 C -ATOM 1875 O PRO B 107 37.508 8.449 6.376 1.00 18.10 O -ATOM 1876 CB PRO B 107 40.734 8.539 6.417 1.00 22.93 C -ATOM 1877 CG PRO B 107 41.981 9.261 6.810 1.00 23.78 C -ATOM 1878 CD PRO B 107 41.616 10.327 7.765 1.00 17.93 C -ATOM 1879 N ASN B 108 38.311 8.581 8.458 1.00 13.65 N -ATOM 1880 CA ASN B 108 37.135 7.906 9.012 1.00 12.15 C -ATOM 1881 C ASN B 108 36.050 8.850 9.462 1.00 10.95 C -ATOM 1882 O ASN B 108 35.159 8.466 10.234 1.00 12.00 O -ATOM 1883 CB ASN B 108 37.576 6.968 10.148 1.00 12.71 C -ATOM 1884 CG ASN B 108 38.282 5.719 9.697 1.00 14.81 C -ATOM 1885 OD1 ASN B 108 38.377 5.446 8.503 1.00 20.80 O -ATOM 1886 ND2 ASN B 108 38.656 4.863 10.641 1.00 20.80 N -ATOM 1887 N SER B 109 36.081 10.138 9.027 1.00 10.26 N -ATOM 1888 CA SER B 109 35.078 11.086 9.403 1.00 8.78 C -ATOM 1889 C SER B 109 33.667 10.689 8.993 1.00 10.08 C -ATOM 1890 O SER B 109 33.447 10.240 7.863 1.00 11.09 O -ATOM 1891 CB SER B 109 35.360 12.464 8.750 1.00 11.53 C -ATOM 1892 OG SER B 109 34.340 13.326 9.239 1.00 12.14 O -ATOM 1893 N ILE B 110 32.681 10.817 9.885 1.00 7.41 N -ATOM 1894 CA ILE B 110 31.310 10.538 9.619 1.00 7.01 C -ATOM 1895 C ILE B 110 30.499 11.786 9.332 1.00 8.59 C -ATOM 1896 O ILE B 110 29.314 11.716 9.096 1.00 8.63 O -ATOM 1897 CB ILE B 110 30.642 9.748 10.733 1.00 8.90 C -ATOM 1898 CG1 ILE B 110 30.669 10.517 12.072 1.00 10.81 C -ATOM 1899 CG2 ILE B 110 31.362 8.394 10.890 1.00 12.17 C -ATOM 1900 CD1 ILE B 110 29.894 9.876 13.194 1.00 14.48 C -ATOM 1901 N ILE B 111 31.189 12.953 9.264 1.00 8.64 N -ATOM 1902 CA ILE B 111 30.448 14.161 8.847 1.00 7.46 C -ATOM 1903 C ILE B 111 30.022 13.990 7.389 1.00 6.73 C -ATOM 1904 O ILE B 111 30.782 13.503 6.565 1.00 10.45 O -ATOM 1905 CB ILE B 111 31.382 15.373 8.930 1.00 9.01 C -ATOM 1906 CG1 ILE B 111 31.913 15.632 10.343 1.00 15.74 C -ATOM 1907 CG2 ILE B 111 30.720 16.671 8.469 1.00 11.21 C -ATOM 1908 CD1 ILE B 111 30.842 16.130 11.311 1.00 27.54 C -ATOM 1909 N GLY B 112 28.752 14.335 7.108 1.00 7.15 N -ATOM 1910 CA GLY B 112 28.171 14.177 5.808 1.00 7.84 C -ATOM 1911 C GLY B 112 27.635 12.804 5.519 1.00 7.18 C -ATOM 1912 O GLY B 112 27.258 12.559 4.352 1.00 8.13 O -ATOM 1913 N ARG B 113 27.650 11.913 6.487 1.00 6.58 N -ATOM 1914 CA ARG B 113 27.130 10.572 6.339 1.00 6.99 C -ATOM 1915 C ARG B 113 25.834 10.448 7.094 1.00 6.67 C -ATOM 1916 O ARG B 113 25.373 11.461 7.629 1.00 10.44 O -ATOM 1917 CB ARG B 113 28.179 9.527 6.721 1.00 8.65 C -ATOM 1918 CG ARG B 113 29.497 9.818 5.986 1.00 8.54 C -ATOM 1919 CD ARG B 113 30.462 8.700 6.064 1.00 9.33 C -ATOM 1920 NE ARG B 113 31.733 9.039 5.460 1.00 9.93 N -ATOM 1921 CZ ARG B 113 32.027 8.955 4.153 1.00 10.87 C -ATOM 1922 NH1 ARG B 113 31.089 8.556 3.276 1.00 12.08 N -ATOM 1923 NH2 ARG B 113 33.257 9.263 3.743 1.00 13.85 N -ATOM 1924 N THR B 114 25.208 9.271 7.171 1.00 8.32 N -ATOM 1925 CA THR B 114 23.874 9.183 7.756 1.00 7.64 C -ATOM 1926 C THR B 114 23.819 8.270 8.964 1.00 6.99 C -ATOM 1927 O THR B 114 24.260 7.107 8.900 1.00 10.62 O -ATOM 1928 CB THR B 114 22.891 8.619 6.687 1.00 8.27 C -ATOM 1929 OG1 THR B 114 22.759 9.612 5.648 1.00 11.26 O -ATOM 1930 CG2 THR B 114 21.490 8.443 7.245 1.00 11.44 C -ATOM 1931 N ALA B 115 23.267 8.711 10.085 1.00 7.99 N -ATOM 1932 CA ALA B 115 23.003 7.808 11.204 1.00 7.60 C -ATOM 1933 C ALA B 115 21.592 7.213 11.012 1.00 6.97 C -ATOM 1934 O ALA B 115 20.651 7.953 10.662 1.00 9.29 O -ATOM 1935 CB ALA B 115 23.059 8.565 12.525 1.00 10.35 C -ATOM 1936 N VAL B 116 21.469 5.926 11.202 1.00 7.66 N -ATOM 1937 CA VAL B 116 20.246 5.169 11.005 1.00 7.25 C -ATOM 1938 C VAL B 116 19.907 4.373 12.284 1.00 6.96 C -ATOM 1939 O VAL B 116 20.773 3.661 12.820 1.00 8.73 O -ATOM 1940 CB VAL B 116 20.418 4.153 9.840 1.00 9.05 C -ATOM 1941 CG1 VAL B 116 19.175 3.304 9.651 1.00 13.37 C -ATOM 1942 CG2 VAL B 116 20.755 4.910 8.559 1.00 10.19 C -ATOM 1943 N VAL B 117 18.659 4.396 12.656 1.00 7.96 N -ATOM 1944 CA VAL B 117 18.101 3.559 13.716 1.00 7.99 C -ATOM 1945 C VAL B 117 17.196 2.498 13.013 1.00 9.25 C -ATOM 1946 O VAL B 117 16.360 2.885 12.174 1.00 9.82 O -ATOM 1947 CB VAL B 117 17.429 4.257 14.851 1.00 9.20 C -ATOM 1948 CG1 VAL B 117 16.221 5.061 14.446 1.00 13.24 C -ATOM 1949 CG2 VAL B 117 17.090 3.274 15.996 1.00 13.73 C -ATOM 1950 N HIS B 118 17.402 1.248 13.297 1.00 8.11 N -ATOM 1951 CA HIS B 118 16.786 0.116 12.661 1.00 7.68 C -ATOM 1952 C HIS B 118 15.593 -0.494 13.366 1.00 9.30 C -ATOM 1953 O HIS B 118 15.376 -0.352 14.572 1.00 11.32 O -ATOM 1954 CB HIS B 118 17.830 -0.945 12.325 1.00 8.55 C -ATOM 1955 CG HIS B 118 18.809 -0.633 11.226 1.00 7.33 C -ATOM 1956 ND1 HIS B 118 18.516 -0.835 9.924 1.00 9.41 N -ATOM 1957 CD2 HIS B 118 20.108 -0.221 11.239 1.00 9.37 C -ATOM 1958 CE1 HIS B 118 19.578 -0.529 9.174 1.00 9.34 C -ATOM 1959 NE2 HIS B 118 20.563 -0.155 9.974 1.00 8.65 N -ATOM 1960 N GLU B 119 14.769 -1.167 12.564 1.00 10.52 N -ATOM 1961 CA GLU B 119 13.565 -1.844 13.001 1.00 12.23 C -ATOM 1962 C GLU B 119 13.844 -2.916 14.057 1.00 10.45 C -ATOM 1963 O GLU B 119 13.063 -3.038 15.034 1.00 14.34 O -ATOM 1964 CB GLU B 119 12.951 -2.521 11.743 1.00 17.22 C -ATOM 1965 CG GLU B 119 11.760 -3.360 11.899 1.00 24.76 C -ATOM 1966 CD GLU B 119 11.401 -4.160 10.622 1.00 27.22 C -ATOM 1967 OE1 GLU B 119 12.186 -4.206 9.664 1.00 25.09 O -ATOM 1968 OE2 GLU B 119 10.372 -4.850 10.675 1.00 37.96 O -ATOM 1969 N LYS B 120 14.827 -3.738 13.830 1.00 12.17 N -ATOM 1970 CA LYS B 120 15.154 -4.878 14.606 1.00 14.34 C -ATOM 1971 C LYS B 120 16.483 -4.793 15.326 1.00 10.51 C -ATOM 1972 O LYS B 120 17.296 -3.908 15.031 1.00 11.26 O -ATOM 1973 CB LYS B 120 15.143 -6.208 13.736 1.00 18.00 C -ATOM 1974 CG LYS B 120 13.983 -6.414 12.854 1.00 29.04 C -ATOM 1975 CD LYS B 120 13.985 -7.720 12.114 1.00 34.60 C -ATOM 1976 CE LYS B 120 12.814 -7.795 11.111 1.00 43.53 C -ATOM 1977 NZ LYS B 120 12.104 -9.102 11.238 0.00 42.91 N -ATOM 1978 N ALA B 121 16.798 -5.750 16.173 1.00 11.59 N -ATOM 1979 CA ALA B 121 18.105 -5.883 16.781 1.00 12.27 C -ATOM 1980 C ALA B 121 19.169 -6.244 15.734 1.00 9.84 C -ATOM 1981 O ALA B 121 18.937 -6.975 14.786 1.00 13.67 O -ATOM 1982 CB ALA B 121 18.090 -6.990 17.834 1.00 14.62 C -ATOM 1983 N ASP B 122 20.355 -5.655 15.970 1.00 10.19 N -ATOM 1984 CA ASP B 122 21.547 -6.064 15.227 1.00 9.64 C -ATOM 1985 C ASP B 122 22.116 -7.336 15.913 1.00 10.23 C -ATOM 1986 O ASP B 122 22.331 -7.344 17.131 1.00 11.86 O -ATOM 1987 CB ASP B 122 22.559 -4.944 15.293 1.00 11.44 C -ATOM 1988 CG ASP B 122 23.858 -5.095 14.597 1.00 11.39 C -ATOM 1989 OD1 ASP B 122 24.254 -6.221 14.245 1.00 11.08 O -ATOM 1990 OD2 ASP B 122 24.545 -4.037 14.383 1.00 11.19 O -ATOM 1991 N ASP B 123 22.256 -8.409 15.098 1.00 10.89 N -ATOM 1992 CA ASP B 123 22.749 -9.675 15.576 1.00 12.25 C -ATOM 1993 C ASP B 123 24.254 -9.761 15.727 1.00 12.41 C -ATOM 1994 O ASP B 123 24.804 -10.810 16.076 1.00 14.56 O -ATOM 1995 CB ASP B 123 22.186 -10.871 14.843 1.00 13.66 C -ATOM 1996 CG ASP B 123 22.722 -11.006 13.431 1.00 12.46 C -ATOM 1997 OD1 ASP B 123 23.774 -10.451 13.101 1.00 12.43 O -ATOM 1998 OD2 ASP B 123 22.063 -11.751 12.654 1.00 15.23 O -ATOM 1999 N LEU B 124 24.925 -8.645 15.448 1.00 11.59 N -ATOM 2000 CA LEU B 124 26.346 -8.463 15.679 1.00 11.36 C -ATOM 2001 C LEU B 124 27.225 -9.380 14.877 1.00 11.01 C -ATOM 2002 O LEU B 124 28.381 -9.645 15.209 1.00 13.55 O -ATOM 2003 CB LEU B 124 26.646 -8.519 17.162 1.00 13.86 C -ATOM 2004 CG LEU B 124 25.794 -7.671 18.111 1.00 14.31 C -ATOM 2005 CD1 LEU B 124 26.202 -7.954 19.552 1.00 20.18 C -ATOM 2006 CD2 LEU B 124 25.867 -6.173 17.813 1.00 16.26 C -ATOM 2007 N GLY B 125 26.685 -9.828 13.723 1.00 11.58 N -ATOM 2008 CA GLY B 125 27.446 -10.711 12.891 1.00 10.45 C -ATOM 2009 C GLY B 125 27.387 -12.174 13.284 1.00 13.43 C -ATOM 2010 O GLY B 125 28.133 -12.990 12.691 1.00 18.60 O -ATOM 2011 N LYS B 126 26.603 -12.544 14.262 1.00 13.32 N -ATOM 2012 CA LYS B 126 26.540 -13.873 14.836 1.00 14.62 C -ATOM 2013 C LYS B 126 25.293 -14.672 14.433 1.00 14.19 C -ATOM 2014 O LYS B 126 24.975 -15.671 15.056 1.00 19.91 O -ATOM 2015 CB LYS B 126 26.606 -13.830 16.351 1.00 19.32 C -ATOM 2016 CG LYS B 126 27.793 -13.141 16.988 1.00 26.17 C -ATOM 2017 CD LYS B 126 29.002 -13.202 16.072 1.00 38.65 C -ATOM 2018 CE LYS B 126 30.209 -13.790 16.790 0.00 37.68 C -ATOM 2019 NZ LYS B 126 31.252 -12.761 17.048 0.00 37.77 N -ATOM 2020 N GLY B 127 24.591 -14.215 13.390 1.00 14.60 N -ATOM 2021 CA GLY B 127 23.387 -14.809 12.931 1.00 15.74 C -ATOM 2022 C GLY B 127 23.466 -16.054 12.123 1.00 16.56 C -ATOM 2023 O GLY B 127 22.436 -16.759 11.979 1.00 22.53 O -ATOM 2024 N GLY B 128 24.626 -16.422 11.605 1.00 15.53 N -ATOM 2025 CA GLY B 128 24.733 -17.694 10.886 1.00 17.09 C -ATOM 2026 C GLY B 128 24.364 -17.583 9.414 1.00 15.44 C -ATOM 2027 O GLY B 128 24.111 -18.614 8.784 1.00 16.65 O -ATOM 2028 N ASN B 129 24.390 -16.394 8.822 1.00 15.83 N -ATOM 2029 CA ASN B 129 24.124 -16.283 7.372 1.00 16.02 C -ATOM 2030 C ASN B 129 24.818 -15.059 6.791 1.00 15.56 C -ATOM 2031 O ASN B 129 25.327 -14.199 7.537 1.00 18.21 O -ATOM 2032 CB ASN B 129 22.641 -16.254 7.112 1.00 17.22 C -ATOM 2033 CG ASN B 129 21.894 -15.205 7.913 1.00 20.71 C -ATOM 2034 OD1 ASN B 129 22.340 -14.061 8.040 1.00 18.04 O -ATOM 2035 ND2 ASN B 129 20.756 -15.554 8.487 1.00 35.41 N -ATOM 2036 N ASP B 130 24.845 -14.954 5.483 1.00 16.29 N -ATOM 2037 CA ASP B 130 25.551 -13.862 4.804 1.00 19.06 C -ATOM 2038 C ASP B 130 24.991 -12.499 5.166 1.00 17.75 C -ATOM 2039 O ASP B 130 25.735 -11.521 5.297 1.00 19.01 O -ATOM 2040 CB ASP B 130 25.465 -14.084 3.296 1.00 26.87 C -ATOM 2041 CG ASP B 130 26.374 -15.122 2.735 1.00 37.92 C -ATOM 2042 OD1 ASP B 130 27.113 -15.779 3.516 1.00 43.23 O -ATOM 2043 OD2 ASP B 130 26.401 -15.318 1.489 1.00 44.58 O -ATOM 2044 N GLU B 131 23.654 -12.417 5.342 1.00 15.99 N -ATOM 2045 CA GLU B 131 23.085 -11.102 5.686 1.00 16.96 C -ATOM 2046 C GLU B 131 23.578 -10.623 7.036 1.00 15.15 C -ATOM 2047 O GLU B 131 23.730 -9.431 7.246 1.00 15.13 O -ATOM 2048 CB GLU B 131 21.549 -11.187 5.734 1.00 20.24 C -ATOM 2049 CG GLU B 131 20.897 -9.830 5.891 1.00 22.36 C -ATOM 2050 CD GLU B 131 21.152 -8.914 4.678 1.00 22.88 C -ATOM 2051 OE1 GLU B 131 21.003 -9.372 3.535 1.00 30.25 O -ATOM 2052 OE2 GLU B 131 21.338 -7.736 4.896 1.00 35.42 O -ATOM 2053 N SER B 132 23.868 -11.534 7.939 1.00 13.69 N -ATOM 2054 CA SER B 132 24.361 -11.167 9.267 1.00 13.13 C -ATOM 2055 C SER B 132 25.700 -10.431 9.103 1.00 13.68 C -ATOM 2056 O SER B 132 25.964 -9.436 9.831 1.00 12.89 O -ATOM 2057 CB SER B 132 24.571 -12.413 10.129 1.00 13.12 C -ATOM 2058 OG SER B 132 25.060 -12.055 11.427 1.00 13.13 O -ATOM 2059 N LEU B 133 26.492 -10.937 8.165 1.00 14.18 N -ATOM 2060 CA LEU B 133 27.790 -10.360 7.869 1.00 13.59 C -ATOM 2061 C LEU B 133 27.783 -9.081 7.097 1.00 11.58 C -ATOM 2062 O LEU B 133 28.874 -8.507 6.883 1.00 12.24 O -ATOM 2063 CB LEU B 133 28.739 -11.377 7.304 1.00 17.23 C -ATOM 2064 CG LEU B 133 29.022 -12.613 8.147 1.00 24.64 C -ATOM 2065 CD1 LEU B 133 29.894 -13.562 7.317 1.00 32.28 C -ATOM 2066 CD2 LEU B 133 29.717 -12.264 9.434 1.00 27.85 C -ATOM 2067 N LYS B 134 26.641 -8.604 6.664 1.00 14.75 N -ATOM 2068 CA LYS B 134 26.477 -7.363 5.957 1.00 15.51 C -ATOM 2069 C LYS B 134 25.770 -6.292 6.807 1.00 13.65 C -ATOM 2070 O LYS B 134 26.266 -5.148 6.878 1.00 13.25 O -ATOM 2071 CB LYS B 134 25.696 -7.539 4.670 1.00 17.40 C -ATOM 2072 CG LYS B 134 26.361 -8.350 3.576 1.00 23.88 C -ATOM 2073 CD LYS B 134 25.393 -8.384 2.359 1.00 41.07 C -ATOM 2074 CE LYS B 134 25.772 -9.458 1.363 1.00 51.68 C -ATOM 2075 NZ LYS B 134 25.399 -9.097 -0.052 1.00 73.24 N -ATOM 2076 N THR B 135 24.618 -6.641 7.365 1.00 13.57 N -ATOM 2077 CA THR B 135 23.775 -5.683 8.086 1.00 13.53 C -ATOM 2078 C THR B 135 23.416 -6.108 9.504 1.00 12.18 C -ATOM 2079 O THR B 135 22.712 -5.383 10.201 1.00 14.70 O -ATOM 2080 CB THR B 135 22.425 -5.555 7.310 1.00 14.86 C -ATOM 2081 OG1 THR B 135 21.750 -6.823 7.355 1.00 15.85 O -ATOM 2082 CG2 THR B 135 22.650 -5.129 5.879 1.00 20.71 C -ATOM 2083 N GLY B 136 23.800 -7.292 9.944 1.00 11.39 N -ATOM 2084 CA GLY B 136 23.377 -7.761 11.262 1.00 10.99 C -ATOM 2085 C GLY B 136 21.937 -8.155 11.313 1.00 9.97 C -ATOM 2086 O GLY B 136 21.336 -8.297 12.405 1.00 12.56 O -ATOM 2087 N ASN B 137 21.280 -8.283 10.176 1.00 11.62 N -ATOM 2088 CA ASN B 137 19.856 -8.642 10.147 1.00 9.77 C -ATOM 2089 C ASN B 137 18.970 -7.644 10.872 1.00 9.86 C -ATOM 2090 O ASN B 137 17.905 -7.944 11.422 1.00 13.38 O -ATOM 2091 CB ASN B 137 19.621 -10.046 10.565 1.00 12.77 C -ATOM 2092 CG ASN B 137 20.076 -11.098 9.607 1.00 13.54 C -ATOM 2093 OD1 ASN B 137 21.008 -11.889 9.883 1.00 17.31 O -ATOM 2094 ND2 ASN B 137 19.449 -11.148 8.446 1.00 17.83 N -ATOM 2095 N ALA B 138 19.393 -6.388 10.838 1.00 10.43 N -ATOM 2096 CA ALA B 138 18.688 -5.347 11.556 1.00 10.58 C -ATOM 2097 C ALA B 138 17.446 -4.822 10.928 1.00 11.98 C -ATOM 2098 O ALA B 138 16.701 -4.018 11.491 1.00 13.18 O -ATOM 2099 CB ALA B 138 19.671 -4.179 11.874 1.00 13.66 C -ATOM 2100 N GLY B 139 17.116 -5.223 9.714 1.00 13.42 N -ATOM 2101 CA GLY B 139 15.890 -4.841 9.098 1.00 14.87 C -ATOM 2102 C GLY B 139 15.777 -3.469 8.575 1.00 12.76 C -ATOM 2103 O GLY B 139 16.789 -2.785 8.263 1.00 13.58 O -ATOM 2104 N GLY B 140 14.554 -2.965 8.498 1.00 12.30 N -ATOM 2105 CA GLY B 140 14.276 -1.670 7.964 1.00 12.65 C -ATOM 2106 C GLY B 140 14.954 -0.526 8.720 1.00 9.86 C -ATOM 2107 O GLY B 140 15.415 -0.601 9.824 1.00 12.93 O -ATOM 2108 N ARG B 141 14.828 0.638 8.011 1.00 10.15 N -ATOM 2109 CA ARG B 141 15.418 1.874 8.521 1.00 8.83 C -ATOM 2110 C ARG B 141 14.251 2.764 8.966 1.00 10.49 C -ATOM 2111 O ARG B 141 13.523 3.340 8.159 1.00 17.14 O -ATOM 2112 CB ARG B 141 16.203 2.515 7.361 1.00 10.77 C -ATOM 2113 CG ARG B 141 17.224 1.605 6.779 1.00 11.94 C -ATOM 2114 CD ARG B 141 17.959 2.101 5.596 1.00 11.13 C -ATOM 2115 NE ARG B 141 18.851 1.092 5.023 1.00 12.12 N -ATOM 2116 CZ ARG B 141 19.678 1.240 4.013 1.00 9.26 C -ATOM 2117 NH1 ARG B 141 19.927 2.401 3.447 1.00 14.97 N -ATOM 2118 NH2 ARG B 141 20.447 0.204 3.620 1.00 14.20 N -ATOM 2119 N LEU B 142 14.059 2.870 10.264 1.00 10.74 N -ATOM 2120 CA LEU B 142 12.937 3.589 10.831 1.00 9.72 C -ATOM 2121 C LEU B 142 13.094 5.110 10.808 1.00 8.93 C -ATOM 2122 O LEU B 142 12.088 5.805 10.569 1.00 13.02 O -ATOM 2123 CB LEU B 142 12.728 3.179 12.304 1.00 11.46 C -ATOM 2124 CG LEU B 142 12.428 1.721 12.551 1.00 15.06 C -ATOM 2125 CD1 LEU B 142 12.277 1.495 14.041 1.00 21.34 C -ATOM 2126 CD2 LEU B 142 11.180 1.303 11.766 1.00 23.00 C -ATOM 2127 N ALA B 143 14.309 5.581 10.998 1.00 8.76 N -ATOM 2128 CA ALA B 143 14.619 6.979 11.005 1.00 9.23 C -ATOM 2129 C ALA B 143 16.095 7.167 10.706 1.00 9.30 C -ATOM 2130 O ALA B 143 16.911 6.326 11.023 1.00 10.45 O -ATOM 2131 CB ALA B 143 14.209 7.685 12.306 1.00 11.91 C -ATOM 2132 N CYS B 144 16.417 8.328 10.141 1.00 9.18 N -ATOM 2133 CA CYS B 144 17.811 8.590 9.759 1.00 9.57 C -ATOM 2134 C CYS B 144 17.993 10.118 9.656 1.00 8.03 C -ATOM 2135 O CYS B 144 17.030 10.867 9.521 1.00 10.85 O -ATOM 2136 CB CYS B 144 18.107 7.905 8.470 1.00 11.22 C -ATOM 2137 SG CYS B 144 17.047 8.434 7.073 1.00 13.34 S -ATOM 2138 N GLY B 145 19.267 10.543 9.621 1.00 8.84 N -ATOM 2139 CA GLY B 145 19.579 11.944 9.423 1.00 11.56 C -ATOM 2140 C GLY B 145 21.012 12.139 9.037 1.00 7.93 C -ATOM 2141 O GLY B 145 21.840 11.301 9.374 1.00 9.52 O -ATOM 2142 N VAL B 146 21.277 13.227 8.320 1.00 8.46 N -ATOM 2143 CA VAL B 146 22.602 13.572 7.875 1.00 7.42 C -ATOM 2144 C VAL B 146 23.365 14.262 8.997 1.00 7.61 C -ATOM 2145 O VAL B 146 22.833 15.152 9.661 1.00 11.09 O -ATOM 2146 CB VAL B 146 22.591 14.404 6.591 1.00 9.11 C -ATOM 2147 CG1 VAL B 146 23.983 14.690 6.104 1.00 12.75 C -ATOM 2148 CG2 VAL B 146 21.734 13.797 5.513 1.00 12.37 C -ATOM 2149 N ILE B 147 24.615 13.852 9.220 1.00 7.43 N -ATOM 2150 CA ILE B 147 25.444 14.358 10.286 1.00 7.01 C -ATOM 2151 C ILE B 147 26.173 15.645 9.879 1.00 7.47 C -ATOM 2152 O ILE B 147 26.900 15.671 8.856 1.00 9.98 O -ATOM 2153 CB ILE B 147 26.443 13.289 10.767 1.00 8.25 C -ATOM 2154 CG1 ILE B 147 25.685 12.010 11.217 1.00 8.37 C -ATOM 2155 CG2 ILE B 147 27.333 13.821 11.897 1.00 11.65 C -ATOM 2156 CD1 ILE B 147 26.609 10.824 11.316 1.00 11.47 C -ATOM 2157 N GLY B 148 25.981 16.712 10.614 1.00 7.80 N -ATOM 2158 CA GLY B 148 26.642 17.983 10.325 1.00 7.47 C -ATOM 2159 C GLY B 148 27.308 18.618 11.520 1.00 8.48 C -ATOM 2160 O GLY B 148 27.121 18.225 12.687 1.00 10.29 O -ATOM 2161 N TYR B 149 28.132 19.635 11.208 1.00 8.37 N -ATOM 2162 CA TYR B 149 28.841 20.352 12.244 1.00 8.36 C -ATOM 2163 C TYR B 149 27.870 21.076 13.167 1.00 9.36 C -ATOM 2164 O TYR B 149 26.874 21.665 12.741 1.00 10.67 O -ATOM 2165 CB TYR B 149 29.821 21.392 11.668 1.00 10.54 C -ATOM 2166 CG TYR B 149 30.990 20.781 10.921 1.00 10.24 C -ATOM 2167 CD1 TYR B 149 32.040 20.138 11.572 1.00 14.06 C -ATOM 2168 CD2 TYR B 149 31.044 20.802 9.513 1.00 10.85 C -ATOM 2169 CE1 TYR B 149 33.092 19.567 10.881 1.00 15.67 C -ATOM 2170 CE2 TYR B 149 32.107 20.248 8.831 1.00 13.83 C -ATOM 2171 CZ TYR B 149 33.114 19.607 9.509 1.00 15.51 C -ATOM 2172 OH TYR B 149 34.137 19.063 8.788 1.00 19.98 O -ATOM 2173 N SER B 150 28.254 21.134 14.480 1.00 10.04 N -ATOM 2174 CA SER B 150 27.420 21.901 15.383 1.00 10.82 C -ATOM 2175 C SER B 150 28.309 22.780 16.258 1.00 14.53 C -ATOM 2176 O SER B 150 29.494 22.444 16.400 1.00 16.45 O -ATOM 2177 CB ASER B 150 26.536 20.998 16.218 0.50 12.42 C -ATOM 2178 CB BSER B 150 27.136 20.790 16.375 0.50 11.12 C -ATOM 2179 OG ASER B 150 27.354 20.130 16.992 0.50 16.40 O -ATOM 2180 OG BSER B 150 26.253 21.297 17.383 0.50 19.82 O -ATOM 2181 N PRO B 151 27.773 23.884 16.773 1.00 15.00 N -ATOM 2182 CA PRO B 151 28.556 24.770 17.644 1.00 21.26 C -ATOM 2183 C PRO B 151 28.878 24.015 18.938 1.00 28.74 C -ATOM 2184 O PRO B 151 28.183 23.004 19.281 1.00 34.70 O -ATOM 2185 CB PRO B 151 27.643 25.952 17.835 1.00 24.26 C -ATOM 2186 CG PRO B 151 26.255 25.472 17.474 1.00 26.88 C -ATOM 2187 CD PRO B 151 26.410 24.331 16.518 1.00 18.92 C -ATOM 2188 OXT PRO B 151 29.927 24.311 19.607 1.00 47.16 O -TER 2189 PRO B 151 -HETATM 2190 CU CU A 1 22.291 33.388 3.996 1.00 13.22 CU -HETATM 2191 ZN ZN A 152 27.539 36.010 2.881 1.00 9.34 ZN -HETATM 2192 CU CU B 152 22.547 -0.328 9.409 1.00 12.12 CU -HETATM 2193 ZN ZN B 153 27.886 -3.058 9.581 1.00 8.92 ZN -HETATM 2194 O HOH A 153 20.020 16.842 3.158 1.00 10.99 O -HETATM 2195 O HOH A 154 35.169 33.232 3.279 1.00 11.35 O -HETATM 2196 O HOH A 155 21.453 18.623 12.015 1.00 13.87 O -HETATM 2197 O HOH A 156 25.785 36.236 -2.605 1.00 14.02 O -HETATM 2198 O HOH A 157 35.968 33.996 0.810 1.00 16.26 O -HETATM 2199 O HOH A 158 26.463 35.933 7.549 1.00 16.32 O -HETATM 2200 O HOH A 159 32.640 30.452 8.877 1.00 17.25 O -HETATM 2201 O HOH A 160 23.680 34.882 7.984 1.00 19.24 O -HETATM 2202 O HOH A 161 35.255 22.878 5.771 1.00 20.55 O -HETATM 2203 O HOH A 162 27.244 31.430 13.306 1.00 21.93 O -HETATM 2204 O HOH A 163 8.817 32.469 -1.204 1.00 22.55 O -HETATM 2205 O HOH A 164 19.543 36.648 6.233 1.00 22.63 O -HETATM 2206 O HOH A 165 9.155 22.516 3.685 1.00 22.66 O -HETATM 2207 O HOH A 166 39.128 23.539 0.194 1.00 23.11 O -HETATM 2208 O HOH A 167 21.870 35.095 5.421 1.00 24.06 O -HETATM 2209 O HOH A 168 28.614 43.053 -5.112 1.00 25.42 O -HETATM 2210 O HOH A 169 32.023 35.896 9.547 1.00 26.18 O -HETATM 2211 O HOH A 170 30.997 39.159 7.189 1.00 26.26 O -HETATM 2212 O HOH A 171 19.004 17.991 6.249 1.00 26.62 O -HETATM 2213 O HOH A 172 22.650 47.664 9.177 1.00 26.84 O -HETATM 2214 O HOH A 173 2.672 35.705 -11.133 1.00 27.47 O -HETATM 2215 O HOH A 174 41.575 34.045 6.941 1.00 27.71 O -HETATM 2216 O HOH A 175 31.636 42.707 -0.373 1.00 27.94 O -HETATM 2217 O HOH A 176 16.407 18.559 5.045 1.00 28.02 O -HETATM 2218 O HOH A 177 33.405 19.140 5.844 1.00 28.10 O -HETATM 2219 O HOH A 178 28.968 44.612 8.625 1.00 28.36 O -HETATM 2220 O HOH A 179 26.855 48.192 1.067 1.00 28.57 O -HETATM 2221 O HOH A 180 29.790 31.199 -8.756 1.00 28.69 O -HETATM 2222 O HOH A 181 22.490 44.788 -5.394 0.50 28.83 O -HETATM 2223 O HOH A 182 25.997 18.974 -9.876 1.00 29.07 O -HETATM 2224 O HOH A 183 30.972 41.884 7.275 1.00 30.12 O -HETATM 2225 O HOH A 184 36.558 24.503 -5.810 1.00 30.60 O -HETATM 2226 O HOH A 185 4.528 26.642 -12.350 1.00 30.70 O -HETATM 2227 O HOH A 186 21.356 38.667 -8.725 1.00 31.09 O -HETATM 2228 O HOH A 187 35.366 15.207 1.243 1.00 31.09 O -HETATM 2229 O HOH A 188 12.958 39.917 -6.907 1.00 31.21 O -HETATM 2230 O HOH A 189 28.606 37.998 -9.291 1.00 31.68 O -HETATM 2231 O HOH A 190 34.903 17.292 3.506 1.00 32.07 O -HETATM 2232 O HOH A 191 9.369 35.057 -0.223 1.00 32.66 O -HETATM 2233 O HOH A 192 19.910 42.000 -5.743 1.00 33.19 O -HETATM 2234 O HOH A 193 19.155 46.088 0.451 1.00 33.95 O -HETATM 2235 O HOH A 194 38.403 34.593 -0.535 1.00 33.96 O -HETATM 2236 O HOH A 195 23.198 21.280 18.684 1.00 34.50 O -HETATM 2237 O HOH A 196 22.753 33.475 12.297 1.00 34.50 O -HETATM 2238 O HOH A 197 38.422 26.458 -2.993 1.00 34.53 O -HETATM 2239 O HOH A 198 35.716 33.552 9.818 1.00 34.55 O -HETATM 2240 O HOH A 199 33.114 44.874 0.894 1.00 34.57 O -HETATM 2241 O HOH A 200 35.462 19.928 -11.072 1.00 34.62 O -HETATM 2242 O HOH A 201 13.949 32.601 9.230 1.00 34.72 O -HETATM 2243 O HOH A 202 9.521 37.169 -4.211 1.00 34.72 O -HETATM 2244 O HOH A 203 13.531 40.871 -2.549 1.00 34.97 O -HETATM 2245 O HOH A 204 29.947 34.225 9.135 1.00 35.24 O -HETATM 2246 O HOH A 205 10.280 35.705 -12.060 1.00 35.46 O -HETATM 2247 O HOH A 206 33.807 31.106 -8.455 1.00 35.49 O -HETATM 2248 O HOH A 207 41.694 31.053 6.113 1.00 35.75 O -HETATM 2249 O HOH A 208 16.902 42.314 0.108 1.00 35.78 O -HETATM 2250 O HOH A 209 23.904 32.516 -8.342 1.00 35.79 O -HETATM 2251 O HOH A 210 11.746 27.492 7.688 1.00 35.85 O -HETATM 2252 O HOH A 211 27.611 29.974 -12.572 1.00 36.04 O -HETATM 2253 O HOH A 212 18.963 39.748 6.409 1.00 36.23 O -HETATM 2254 O HOH A 213 17.787 30.605 -10.939 1.00 36.30 O -HETATM 2255 O HOH A 214 27.716 49.195 3.390 1.00 36.32 O -HETATM 2256 O HOH A 215 19.242 34.207 -10.585 1.00 36.33 O -HETATM 2257 O HOH A 216 37.189 41.887 3.127 1.00 36.50 O -HETATM 2258 O HOH A 217 32.812 24.605 11.566 1.00 36.61 O -HETATM 2259 O HOH A 218 24.783 14.662 -6.581 1.00 37.07 O -HETATM 2260 O HOH A 219 18.530 17.375 8.952 1.00 37.10 O -HETATM 2261 O HOH A 220 32.124 42.713 -2.798 1.00 37.20 O -HETATM 2262 O HOH A 221 17.316 42.885 6.259 1.00 37.38 O -HETATM 2263 O HOH A 222 25.672 48.188 12.743 1.00 37.84 O -HETATM 2264 O HOH A 223 34.314 46.754 5.157 1.00 37.95 O -HETATM 2265 O HOH A 224 13.081 26.094 9.866 1.00 38.00 O -HETATM 2266 O HOH A 225 22.786 35.941 10.329 1.00 38.07 O -HETATM 2267 O HOH A 226 9.100 26.618 3.939 1.00 38.08 O -HETATM 2268 O HOH A 227 12.014 18.399 1.284 1.00 39.02 O -HETATM 2269 O HOH A 228 7.212 31.149 0.313 1.00 39.19 O -HETATM 2270 O HOH A 229 41.710 35.410 3.871 1.00 39.46 O -HETATM 2271 O HOH A 230 39.669 22.064 -2.634 1.00 39.53 O -HETATM 2272 O HOH A 231 40.201 28.400 3.388 1.00 39.92 O -HETATM 2273 O HOH A 232 20.980 29.013 -13.787 1.00 39.94 O -HETATM 2274 O HOH A 233 37.876 25.342 7.459 1.00 40.21 O -HETATM 2275 O HOH A 234 23.870 27.551 15.841 1.00 40.79 O -HETATM 2276 O HOH A 235 30.097 46.082 -0.853 1.00 41.80 O -HETATM 2277 O HOH A 236 18.119 34.760 8.642 1.00 41.99 O -HETATM 2278 O HOH A 237 12.202 19.993 -6.175 1.00 42.25 O -HETATM 2279 O HOH A 238 27.187 32.444 -10.126 1.00 42.61 O -HETATM 2280 O HOH A 239 22.658 24.343 18.103 1.00 42.76 O -HETATM 2281 O HOH A 240 5.146 28.034 2.403 1.00 42.81 O -HETATM 2282 O HOH A 241 30.675 10.869 -3.941 1.00 43.11 O -HETATM 2283 O HOH A 242 34.748 42.809 -4.090 1.00 43.18 O -HETATM 2284 O HOH A 243 12.345 38.261 -4.287 1.00 43.30 O -HETATM 2285 O HOH A 244 23.323 35.849 -8.482 1.00 43.39 O -HETATM 2286 O HOH A 245 16.349 27.627 20.878 1.00 43.48 O -HETATM 2287 O HOH A 246 25.826 29.546 15.672 1.00 43.58 O -HETATM 2288 O HOH A 247 19.414 28.539 17.074 1.00 43.76 O -HETATM 2289 O HOH A 248 37.451 19.516 5.365 1.00 44.14 O -HETATM 2290 O HOH A 249 13.938 28.833 -12.670 1.00 44.23 O -HETATM 2291 O HOH A 250 30.381 40.295 -9.348 1.00 45.88 O -HETATM 2292 O HOH A 251 18.564 46.257 6.823 1.00 45.98 O -HETATM 2293 O HOH A 252 21.130 32.030 13.440 1.00 47.04 O -HETATM 2294 O HOH A 253 44.034 24.155 9.768 1.00 47.20 O -HETATM 2295 O HOH A 254 37.724 23.588 -12.703 1.00 47.48 O -HETATM 2296 O HOH A 255 27.672 49.840 6.061 1.00 47.70 O -HETATM 2297 O HOH A 256 12.246 17.796 -1.348 1.00 47.71 O -HETATM 2298 O HOH A 257 7.751 34.429 2.430 1.00 48.00 O -HETATM 2299 O HOH A 258 17.739 18.719 -8.249 1.00 48.03 O -HETATM 2300 O HOH A 259 15.688 21.167 7.287 1.00 48.15 O -HETATM 2301 O HOH A 260 38.301 35.550 -3.110 1.00 48.16 O -HETATM 2302 O HOH A 261 20.012 51.089 4.244 1.00 48.56 O -HETATM 2303 O HOH A 262 27.472 37.346 9.823 1.00 48.87 O -HETATM 2304 O HOH A 263 21.148 35.124 7.381 1.00 49.20 O -HETATM 2305 O HOH A 264 30.298 31.029 13.319 1.00 49.91 O -HETATM 2306 O HOH A 265 25.803 15.817 -9.316 1.00 49.93 O -HETATM 2307 O HOH A 266 35.847 41.738 -7.601 1.00 50.47 O -HETATM 2308 O HOH A 267 12.609 16.083 3.419 1.00 50.71 O -HETATM 2309 O HOH A 268 20.706 21.023 20.287 1.00 51.37 O -HETATM 2310 O HOH A 269 11.984 34.575 -14.884 1.00 51.54 O -HETATM 2311 O HOH A 270 23.433 47.169 12.027 1.00 51.61 O -HETATM 2312 O HOH A 271 34.602 33.512 -8.740 1.00 52.46 O -HETATM 2313 O HOH A 272 15.375 42.259 4.422 1.00 52.53 O -HETATM 2314 O HOH A 273 20.577 37.022 -10.402 1.00 52.69 O -HETATM 2315 O HOH A 274 23.664 39.006 10.758 1.00 53.06 O -HETATM 2316 O HOH A 275 4.762 38.500 -13.728 1.00 53.21 O -HETATM 2317 O HOH A 276 24.954 44.486 -8.362 0.50 53.33 O -HETATM 2318 O HOH A 277 32.494 12.652 -9.021 1.00 53.36 O -HETATM 2319 O HOH A 278 19.175 23.946 19.117 1.00 53.44 O -HETATM 2320 O HOH A 279 25.608 37.683 -9.034 1.00 53.75 O -HETATM 2321 O HOH A 280 22.741 12.904 -9.141 1.00 53.82 O -HETATM 2322 O HOH A 281 38.032 13.748 0.217 1.00 54.41 O -HETATM 2323 O HOH A 282 42.046 34.419 0.748 1.00 54.65 O -HETATM 2324 O HOH A 283 23.595 43.949 11.285 1.00 54.66 O -HETATM 2325 O HOH A 284 20.096 13.344 -10.168 1.00 54.96 O -HETATM 2326 O HOH A 285 17.587 43.828 -3.227 1.00 55.44 O -HETATM 2327 O HOH A 286 -0.406 28.401 -2.246 1.00 55.93 O -HETATM 2328 O HOH A 287 21.366 23.074 21.412 1.00 56.28 O -HETATM 2329 O HOH A 288 13.446 27.899 13.605 1.00 56.33 O -HETATM 2330 O HOH A 289 10.831 17.514 -3.627 1.00 56.38 O -HETATM 2331 O HOH A 290 15.955 19.156 18.873 1.00 56.50 O -HETATM 2332 O HOH A 291 13.864 29.171 10.042 1.00 56.53 O -HETATM 2333 O HOH A 292 28.426 51.337 12.565 1.00 56.73 O -HETATM 2334 O HOH A 293 4.968 37.499 -9.863 1.00 56.92 O -HETATM 2335 O HOH A 294 7.956 29.377 4.264 1.00 56.94 O -HETATM 2336 O HOH A 295 32.981 36.878 11.677 1.00 57.62 O -HETATM 2337 O HOH A 296 22.080 31.662 -10.411 1.00 57.74 O -HETATM 2338 O HOH A 297 35.235 35.276 -6.444 1.00 58.47 O -HETATM 2339 O HOH A 298 14.614 22.673 8.903 1.00 58.75 O -HETATM 2340 O HOH A 299 27.392 42.732 -8.162 1.00 59.69 O -HETATM 2341 O HOH A 300 18.536 26.391 19.488 1.00 59.83 O -HETATM 2342 O HOH A 301 18.509 19.458 20.469 1.00 59.98 O -HETATM 2343 O HOH A 302 26.677 44.497 12.129 1.00 60.48 O -HETATM 2344 O HOH A 303 18.457 22.740 -12.590 1.00 60.49 O -HETATM 2345 O HOH A 304 15.084 13.434 -5.681 0.50 60.55 O -HETATM 2346 O HOH A 305 31.501 31.822 10.912 1.00 60.75 O -HETATM 2347 O HOH A 306 39.947 24.390 -3.695 1.00 60.77 O -HETATM 2348 O HOH A 307 19.245 12.389 -6.039 1.00 61.13 O -HETATM 2349 O HOH A 308 14.617 19.751 11.805 1.00 61.47 O -HETATM 2350 O HOH A 309 11.040 32.429 7.098 1.00 61.47 O -HETATM 2351 O HOH A 310 30.871 38.537 10.030 1.00 61.47 O -HETATM 2352 O HOH A 311 9.038 19.276 3.360 1.00 61.63 O -HETATM 2353 O HOH A 312 14.192 20.035 14.272 1.00 61.66 O -HETATM 2354 O HOH A 313 19.088 48.760 0.840 1.00 63.25 O -HETATM 2355 O HOH A 314 45.197 23.152 2.809 1.00 63.42 O -HETATM 2356 O HOH A 315 32.694 48.105 3.210 1.00 63.47 O -HETATM 2357 O HOH A 316 14.453 42.021 -6.064 1.00 63.85 O -HETATM 2358 O HOH A 317 23.766 11.983 -6.706 1.00 67.05 O -HETATM 2359 O HOH A 318 23.599 39.335 -10.699 1.00 67.41 O -HETATM 2360 O HOH A 319 23.675 36.882 14.374 1.00 67.83 O -HETATM 2361 O HOH A 320 16.842 15.053 -7.728 1.00 67.90 O -HETATM 2362 O HOH A 321 34.206 37.578 -11.338 1.00 68.76 O -HETATM 2363 O HOH A 322 30.646 33.589 -10.455 1.00 69.19 O -HETATM 2364 O HOH A 323 26.427 50.395 14.289 1.00 71.67 O -HETATM 2365 O HOH A 324 11.688 23.379 10.087 1.00 72.96 O -HETATM 2366 O HOH A 325 5.382 23.837 -2.570 1.00 73.52 O -HETATM 2367 O HOH A 326 12.954 16.999 11.283 1.00 73.55 O -HETATM 2368 O HOH A 327 36.805 12.229 -6.999 1.00 74.67 O -HETATM 2369 O HOH A 328 6.662 21.200 -10.641 1.00 76.31 O -HETATM 2370 O HOH A 329 18.219 47.305 3.023 1.00 81.65 O -HETATM 2371 O HOH A 330 42.350 20.145 -1.280 1.00 82.29 O -HETATM 2372 O HOH B 154 21.796 -2.683 9.157 0.25 5.61 O -HETATM 2373 O HOH B 155 20.578 16.278 10.612 1.00 11.56 O -HETATM 2374 O HOH B 156 20.568 14.499 1.641 1.00 12.62 O -HETATM 2375 O HOH B 157 35.440 -0.438 7.732 1.00 12.90 O -HETATM 2376 O HOH B 158 27.105 -3.324 15.184 1.00 13.03 O -HETATM 2377 O HOH B 159 21.898 -1.927 7.740 0.75 14.42 O -HETATM 2378 O HOH B 160 26.099 -2.853 5.280 1.00 16.20 O -HETATM 2379 O HOH B 161 36.722 -1.253 10.014 1.00 16.44 O -HETATM 2380 O HOH B 162 26.222 1.768 -0.503 1.00 17.22 O -HETATM 2381 O HOH B 163 35.277 10.098 5.756 1.00 17.23 O -HETATM 2382 O HOH B 164 15.803 12.202 7.393 0.25 17.62 O -HETATM 2383 O HOH B 165 31.166 1.661 20.283 1.00 18.65 O -HETATM 2384 O HOH B 166 12.473 -2.474 27.055 1.00 19.19 O -HETATM 2385 O HOH B 167 39.828 9.667 10.634 1.00 19.26 O -HETATM 2386 O HOH B 168 32.171 2.516 2.837 1.00 20.26 O -HETATM 2387 O HOH B 169 23.374 -1.856 5.450 1.00 20.68 O -HETATM 2388 O HOH B 170 14.536 11.248 6.978 0.25 20.73 O -HETATM 2389 O HOH B 171 20.270 8.225 -4.582 1.00 22.29 O -HETATM 2390 O HOH B 172 39.908 5.914 21.366 1.00 22.29 O -HETATM 2391 O HOH B 173 19.477 -3.547 7.548 1.00 22.49 O -HETATM 2392 O HOH B 174 10.131 0.630 16.546 1.00 23.10 O -HETATM 2393 O HOH B 175 9.722 10.697 11.758 1.00 23.77 O -HETATM 2394 O HOH B 176 30.307 -6.356 4.760 1.00 23.99 O -HETATM 2395 O HOH B 177 19.883 -13.141 13.241 1.00 24.19 O -HETATM 2396 O HOH B 178 30.721 -5.076 21.371 1.00 24.85 O -HETATM 2397 O HOH B 179 17.657 4.363 -2.954 1.00 25.17 O -HETATM 2398 O HOH B 180 15.129 -6.859 22.055 1.00 25.61 O -HETATM 2399 O HOH B 181 22.165 4.525 -2.382 1.00 26.05 O -HETATM 2400 O HOH B 182 33.385 13.817 5.940 1.00 26.09 O -HETATM 2401 O HOH B 183 27.131 -15.207 11.157 1.00 26.58 O -HETATM 2402 O HOH B 184 28.235 13.815 22.628 1.00 26.67 O -HETATM 2403 O HOH B 185 20.841 2.742 -0.194 1.00 27.15 O -HETATM 2404 O HOH B 186 20.130 5.461 -3.811 1.00 28.74 O -HETATM 2405 O HOH B 187 21.777 -1.389 24.078 1.00 29.17 O -HETATM 2406 O HOH B 188 11.698 5.696 7.314 1.00 29.52 O -HETATM 2407 O HOH B 189 38.120 8.155 16.979 1.00 29.94 O -HETATM 2408 O HOH B 190 18.932 15.032 7.671 1.00 29.97 O -HETATM 2409 O HOH B 191 32.342 -9.862 11.982 1.00 30.39 O -HETATM 2410 O HOH B 192 40.171 6.927 18.709 1.00 30.46 O -HETATM 2411 O HOH B 193 18.740 -6.593 7.433 1.00 30.62 O -HETATM 2412 O HOH B 194 21.032 1.497 24.878 1.00 30.65 O -HETATM 2413 O HOH B 195 10.371 -1.926 15.288 1.00 30.69 O -HETATM 2414 O HOH B 196 30.103 -10.414 17.164 1.00 30.90 O -HETATM 2415 O HOH B 197 23.682 -5.532 21.808 1.00 30.96 O -HETATM 2416 O HOH B 198 17.942 -9.304 14.304 1.00 31.00 O -HETATM 2417 O HOH B 199 35.281 15.714 8.174 1.00 31.07 O -HETATM 2418 O HOH B 200 13.662 10.173 5.825 0.50 31.13 O -HETATM 2419 O HOH B 201 13.507 0.625 5.380 1.00 31.35 O -HETATM 2420 O HOH B 202 36.109 17.733 10.410 1.00 31.57 O -HETATM 2421 O HOH B 203 21.682 -14.441 4.047 1.00 32.48 O -HETATM 2422 O HOH B 204 25.874 0.316 21.310 1.00 33.14 O -HETATM 2423 O HOH B 205 10.020 1.071 24.186 1.00 33.14 O -HETATM 2424 O HOH B 206 12.636 6.749 4.867 1.00 33.24 O -HETATM 2425 O HOH B 207 37.033 12.666 22.578 1.00 33.41 O -HETATM 2426 O HOH B 208 36.686 -9.929 15.247 1.00 33.60 O -HETATM 2427 O HOH B 209 6.884 -1.827 22.405 1.00 33.82 O -HETATM 2428 O HOH B 210 39.421 -3.033 13.266 1.00 33.91 O -HETATM 2429 O HOH B 211 17.898 15.876 4.903 1.00 34.03 O -HETATM 2430 O HOH B 212 9.702 6.729 11.337 1.00 34.30 O -HETATM 2431 O HOH B 213 12.683 14.621 13.498 1.00 34.34 O -HETATM 2432 O HOH B 214 31.114 -2.527 2.088 1.00 34.57 O -HETATM 2433 O HOH B 215 21.490 11.727 -5.002 1.00 34.66 O -HETATM 2434 O HOH B 216 39.714 6.587 14.040 1.00 34.71 O -HETATM 2435 O HOH B 217 11.267 -4.495 19.532 1.00 34.95 O -HETATM 2436 O HOH B 218 16.653 14.508 9.188 1.00 35.04 O -HETATM 2437 O HOH B 219 22.025 -8.991 19.435 1.00 35.33 O -HETATM 2438 O HOH B 220 28.633 0.806 21.177 1.00 35.66 O -HETATM 2439 O HOH B 221 17.546 9.114 -4.776 1.00 35.70 O -HETATM 2440 O HOH B 222 25.713 -2.412 21.549 1.00 35.94 O -HETATM 2441 O HOH B 223 23.631 -4.322 1.795 1.00 36.15 O -HETATM 2442 O HOH B 224 17.042 3.850 26.978 1.00 36.20 O -HETATM 2443 O HOH B 225 32.357 21.827 15.862 1.00 36.27 O -HETATM 2444 O HOH B 226 14.747 -7.626 17.026 1.00 36.36 O -HETATM 2445 O HOH B 227 45.405 17.855 20.388 1.00 36.36 O -HETATM 2446 O HOH B 228 33.897 -11.945 10.592 1.00 36.56 O -HETATM 2447 O HOH B 229 13.755 -5.191 18.684 1.00 36.63 O -HETATM 2448 O HOH B 230 29.858 2.565 24.642 1.00 36.67 O -HETATM 2449 O HOH B 231 37.263 -2.878 17.738 1.00 37.06 O -HETATM 2450 O HOH B 232 8.069 1.999 15.688 1.00 37.62 O -HETATM 2451 O HOH B 233 38.303 -4.709 19.908 1.00 37.87 O -HETATM 2452 O HOH B 234 31.330 8.483 0.385 1.00 38.07 O -HETATM 2453 O HOH B 235 40.194 2.422 10.036 1.00 38.20 O -HETATM 2454 O HOH B 236 18.499 -13.292 7.020 1.00 38.63 O -HETATM 2455 O HOH B 237 30.883 -8.865 4.207 1.00 39.33 O -HETATM 2456 O HOH B 238 8.973 -5.422 21.761 1.00 39.34 O -HETATM 2457 O HOH B 239 26.999 18.062 19.675 1.00 39.35 O -HETATM 2458 O HOH B 240 17.053 -9.931 7.461 1.00 39.38 O -HETATM 2459 O HOH B 241 37.385 13.949 6.299 1.00 39.60 O -HETATM 2460 O HOH B 242 18.089 -1.759 5.531 1.00 39.92 O -HETATM 2461 O HOH B 243 37.349 7.609 3.754 1.00 40.22 O -HETATM 2462 O HOH B 244 13.309 3.537 -5.483 1.00 40.83 O -HETATM 2463 O HOH B 245 7.382 7.173 22.167 1.00 41.07 O -HETATM 2464 O HOH B 246 29.359 -0.364 2.467 1.00 41.34 O -HETATM 2465 O HOH B 247 28.017 -4.886 21.631 1.00 42.67 O -HETATM 2466 O HOH B 248 27.968 -11.588 3.556 1.00 42.87 O -HETATM 2467 O HOH B 249 32.900 -6.066 2.946 1.00 42.94 O -HETATM 2468 O HOH B 250 23.503 4.209 27.321 1.00 43.48 O -HETATM 2469 O HOH B 251 41.249 4.788 15.050 1.00 43.58 O -HETATM 2470 O HOH B 252 19.221 14.510 22.240 1.00 43.65 O -HETATM 2471 O HOH B 253 23.725 -11.865 18.300 1.00 43.84 O -HETATM 2472 O HOH B 254 32.734 -8.935 20.898 1.00 43.98 O -HETATM 2473 O HOH B 255 14.250 13.527 20.955 1.00 44.12 O -HETATM 2474 O HOH B 256 28.367 -4.385 3.766 1.00 44.29 O -HETATM 2475 O HOH B 257 13.431 13.471 1.701 1.00 44.40 O -HETATM 2476 O HOH B 258 37.000 -9.126 7.267 1.00 44.59 O -HETATM 2477 O HOH B 259 27.938 16.959 21.954 1.00 44.61 O -HETATM 2478 O HOH B 260 41.978 -6.653 11.806 1.00 44.74 O -HETATM 2479 O HOH B 261 40.667 10.976 13.924 1.00 44.81 O -HETATM 2480 O HOH B 262 30.753 -13.482 12.941 1.00 45.29 O -HETATM 2481 O HOH B 263 41.533 -3.078 5.430 1.00 45.89 O -HETATM 2482 O HOH B 264 37.498 -8.310 20.433 1.00 46.59 O -HETATM 2483 O HOH B 265 33.589 -0.384 1.269 1.00 46.68 O -HETATM 2484 O HOH B 266 34.548 20.069 20.713 1.00 46.95 O -HETATM 2485 O HOH B 267 38.504 19.707 18.267 1.00 46.95 O -HETATM 2486 O HOH B 268 10.982 5.736 29.100 1.00 46.97 O -HETATM 2487 O HOH B 269 29.285 -2.128 4.048 1.00 47.41 O -HETATM 2488 O HOH B 270 39.440 -11.901 15.621 1.00 47.54 O -HETATM 2489 O HOH B 271 22.888 -8.091 21.716 1.00 47.79 O -HETATM 2490 O HOH B 272 7.106 7.770 25.065 1.00 47.89 O -HETATM 2491 O HOH B 273 38.914 16.144 7.915 1.00 47.96 O -HETATM 2492 O HOH B 274 32.428 -10.586 14.444 1.00 48.14 O -HETATM 2493 O HOH B 275 40.397 9.251 15.769 1.00 49.09 O -HETATM 2494 O HOH B 276 37.263 -9.804 17.837 1.00 49.18 O -HETATM 2495 O HOH B 277 33.910 16.386 5.927 1.00 49.33 O -HETATM 2496 O HOH B 278 31.528 5.559 -0.837 1.00 49.49 O -HETATM 2497 O HOH B 279 13.798 5.111 28.262 1.00 49.60 O -HETATM 2498 O HOH B 280 8.420 -1.071 13.530 1.00 50.43 O -HETATM 2499 O HOH B 281 18.300 -14.032 10.272 1.00 50.45 O -HETATM 2500 O HOH B 282 7.869 -2.306 28.245 1.00 50.55 O -HETATM 2501 O HOH B 283 13.860 15.327 16.355 1.00 50.73 O -HETATM 2502 O HOH B 284 34.887 13.441 24.172 1.00 51.25 O -HETATM 2503 O HOH B 285 30.785 1.169 0.904 1.00 51.59 O -HETATM 2504 O HOH B 286 19.310 3.158 25.180 1.00 51.89 O -HETATM 2505 O HOH B 287 39.933 5.210 6.080 1.00 51.92 O -HETATM 2506 O HOH B 288 20.725 3.236 27.514 1.00 52.12 O -HETATM 2507 O HOH B 289 23.262 1.648 24.007 1.00 52.16 O -HETATM 2508 O HOH B 290 16.121 -9.128 19.794 1.00 52.43 O -HETATM 2509 O HOH B 291 33.912 -11.609 18.330 1.00 54.48 O -HETATM 2510 O HOH B 292 36.381 -12.646 12.002 1.00 54.71 O -HETATM 2511 O HOH B 293 39.359 -2.482 15.819 1.00 54.95 O -HETATM 2512 O HOH B 294 22.200 -12.246 1.990 1.00 54.98 O -HETATM 2513 O HOH B 295 3.595 5.764 9.033 1.00 55.28 O -HETATM 2514 O HOH B 296 40.081 -5.862 4.748 1.00 55.62 O -HETATM 2515 O HOH B 297 40.471 3.626 2.602 1.00 56.67 O -HETATM 2516 O HOH B 298 25.441 -4.402 20.941 1.00 56.85 O -HETATM 2517 O HOH B 299 33.624 4.467 1.688 1.00 56.92 O -HETATM 2518 O HOH B 300 34.592 9.880 1.359 1.00 57.27 O -HETATM 2519 O HOH B 301 5.649 4.657 16.707 1.00 57.44 O -HETATM 2520 O HOH B 302 6.588 -6.142 25.069 1.00 57.70 O -HETATM 2521 O HOH B 303 38.409 -12.079 18.133 1.00 58.26 O -HETATM 2522 O HOH B 304 12.904 -6.936 20.872 1.00 58.63 O -HETATM 2523 O HOH B 305 34.978 -12.200 14.592 1.00 58.87 O -HETATM 2524 O HOH B 306 36.068 20.628 6.950 1.00 58.99 O -HETATM 2525 O HOH B 307 37.167 -8.451 4.794 1.00 59.87 O -HETATM 2526 O HOH B 308 19.959 -16.375 12.735 1.00 59.95 O -HETATM 2527 O HOH B 309 39.976 7.754 2.491 1.00 61.37 O -HETATM 2528 O HOH B 310 19.641 17.849 22.382 1.00 61.47 O -HETATM 2529 O HOH B 311 21.910 8.094 28.845 1.00 61.47 O -HETATM 2530 O HOH B 312 21.682 -2.620 3.578 1.00 61.47 O -HETATM 2531 O HOH B 313 15.145 1.067 -1.508 1.00 61.82 O -HETATM 2532 O HOH B 314 19.274 -3.364 3.466 1.00 61.99 O -HETATM 2533 O HOH B 315 18.797 -11.024 16.238 1.00 62.71 O -HETATM 2534 O HOH B 316 20.789 -18.721 10.701 1.00 63.14 O -HETATM 2535 O HOH B 317 40.218 -7.746 7.128 1.00 64.11 O -HETATM 2536 O HOH B 318 6.375 4.497 13.665 1.00 64.64 O -HETATM 2537 O HOH B 319 18.677 -17.930 7.721 1.00 66.70 O -HETATM 2538 O HOH B 320 14.429 18.062 16.293 1.00 67.01 O -HETATM 2539 O HOH B 321 39.122 20.314 21.368 1.00 69.51 O -HETATM 2540 O HOH B 322 10.686 -0.981 8.535 1.00 69.55 O -HETATM 2541 O HOH B 323 36.567 11.191 25.880 1.00 71.39 O -HETATM 2542 O HOH B 324 15.466 -10.865 17.409 1.00 71.97 O -HETATM 2543 O HOH B 325 25.060 -4.455 3.909 1.00 79.25 O -CONECT 322 2190 -CONECT 343 2190 -CONECT 410 1041 -CONECT 448 2191 -CONECT 451 2190 -CONECT 518 2191 -CONECT 582 2191 -CONECT 603 2191 -CONECT 863 2190 -CONECT 1041 410 -CONECT 1415 2192 -CONECT 1436 2192 -CONECT 1503 2137 -CONECT 1539 2193 -CONECT 1542 2192 -CONECT 1609 2193 -CONECT 1673 2193 -CONECT 1694 2193 -CONECT 1959 2192 -CONECT 2137 1503 -CONECT 2190 322 343 451 863 -CONECT 2190 2208 -CONECT 2191 448 518 582 603 -CONECT 2192 1415 1436 1542 1959 -CONECT 2192 2372 2377 -CONECT 2193 1539 1609 1673 1694 -CONECT 2208 2190 -CONECT 2372 2192 -CONECT 2377 2192 -MASTER 404 0 4 4 18 0 12 9 2502 2 29 24 -END diff --git a/tests/structure/data/ids.txt b/tests/structure/data/ids.txt index 35cd1d4e4..3ca623952 100644 --- a/tests/structure/data/ids.txt +++ b/tests/structure/data/ids.txt @@ -18,5 +18,4 @@ 1crr 7gsa 8crb -3bww -1xso \ No newline at end of file +3bww \ No newline at end of file diff --git a/tests/structure/test_3di.py b/tests/structure/test_3di.py index 736ab1f3e..d3e20f079 100644 --- a/tests/structure/test_3di.py +++ b/tests/structure/test_3di.py @@ -5,7 +5,9 @@ from biotite.structure.io.pdb import PDBFile from biotite.structure.atoms import AtomArray +from biotite.structure.alphabet import to_3di from biotite.structure.alphabet.encoder import Encoder, PartnerIndexEncoder, VirtualCenterEncoder +from biotite.structure.chains import apply_chain_wise from tests.util import data_dir @@ -16,125 +18,34 @@ def _get_structure(name): return structure if isinstance(structure, AtomArray) else structure[0] -class TestVirtualCenterEncoder(unittest.TestCase): - @classmethod - def setUpClass(cls): - cls.encoder = VirtualCenterEncoder() - - def test_calc_virtual_center(self): - ca = numpy.array([[34.826, 19.254, 17.339]]) - cb = numpy.array([[35.285, 18.694, 15.994]]) - n_ = numpy.array([[35.805, 19.041, 18.426]]) - - vc = self.encoder._compute_virtual_center(ca, cb, n_) - self.assertAlmostEqual(vc[0, 0], 32.2276, places=4) - self.assertAlmostEqual(vc[0, 1], 20.2157, places=4) - self.assertAlmostEqual(vc[0, 2], 16.0518, places=4) - - ca = numpy.array([[21.056, 18.27, 0.063]]) - cb = numpy.array([[21.428, 19.604, 0.838]]) - n_ = numpy.array([[21.789, 17.734, -1.084]]) - - vc = self.encoder._compute_virtual_center(ca, cb, n_) - self.assertAlmostEqual(vc[0, 0], 18.5941, places=4) - self.assertAlmostEqual(vc[0, 1], 17.8221, places=4) - self.assertAlmostEqual(vc[0, 2], 2.01565, places=4) - - def test_encode_1xso_chainA(self): - structure = _get_structure("1xso") - chain = structure[structure.chain_id == 'A'] - centers = self.encoder.encode_atoms(chain, disordered_atom="best") - - self.assertAlmostEqual(centers[0, 0], 30.653, places=4) - self.assertAlmostEqual(centers[0, 1], 12.7129, places=4) - self.assertAlmostEqual(centers[0, 2], -3.9203, places=4) - - # self.assertAlmostEqual(centers[4, 0], 18.5941, places=4) - # self.assertAlmostEqual(centers[4, 1], 17.8221, places=4) - # self.assertAlmostEqual(centers[4, 2], 2.01565, places=4) - - -class TestPartnerIndexEncoder(unittest.TestCase): - @classmethod - def setUpClass(cls): - cls.encoder = PartnerIndexEncoder() - - @classmethod - def get_structure(cls, name): - path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") - return cls.parser.get_structure(name, path) - - # def test_encode_1xso_chainA(self): - # structure = _get_structure("1xso") - # chain = structure[structure.chain_id == 'A'] - # partners = self.encoder.encode_atoms(chain, disordered_atom="last") - # self.assertListEqual( - # partners[1:-1].tolist(), - # # fmt: off - # [ - # 17, 145, 15, 143, 13, 141, 6, 53, 8, 11, 12, 32, 5, 30, 3, 28, - # 1, 26, 20, 19, 20, 21, 98, 98, 96, 18, 94, 16, 92, 14, 90, 12, - # 89, 89, 117, 35, 85, 37, 83, 115, 80, 113, 79, 111, 57, 57, - # 110, 143, 50, 53, 50, 50, 50, 55, 56, 55, 45, 45, 132, 43, 77, - # 77, 62, 62, 66, 75, 131, 76, 122, 80, 97, 73, 74, 73, 66, 68, - # 62, 99, 43, 41, 70, 119, 39, 91, 37, 87, 86, 87, 33, 31, 84, - # 29, 94, 27, 94, 25, 71, 23, 78, 106, 23, 107, 104, 103, 104, - # 100, 102, 144, 144, 47, 44, 142, 42, 139, 40, 136, 35, 136, 82, - # 134, 134, 69, 130, 125, 124, 127, 128, 127, 132, 120, 67, 59, - # 120, 120, 136, 116, 138, 137, 114, 7, 6, 112, 4, 109, 2, 109, - # 148, 147 - # ] - # # fmt: on - # ) - - class TestEncoder(unittest.TestCase): @classmethod def setUpClass(cls): cls.encoder = Encoder() - # def test_encode_1xso_disordered_last(self): - # structure = _get_structure("1xso") - # states = self.encoder.encode_chain(structure[0]["A"], disordered_atom="last") - # sequence = self.encoder.build_sequence(states) - # self.assertEqual( - # sequence, - # "DKKKWWKDFPDPKTKIKIWDDDDLFKIKIWMKIFQADFDKKWKWWACAQDCPVHVVVSHFGAAPPD" - # "FWDFAQPDPRHGLTGDFIFGDDPRMTTDMDIHNSAGCDDPNRQQRIKMFIANAGQCGLPPPDPVSR" - # "GTSPRDDTRIMTGMHDDD", - # ) - def test_encode_3bww(self): structure = _get_structure("3bww") chain = structure[structure.chain_id == 'A'] - states = self.encoder.encode_atoms(chain) - sequence = self.encoder.build_sequence(states) + sequence = to_3di(chain) self.assertEqual( - sequence, + str(sequence), "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" "LDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDVVSLVSSLVSQLVSCVSSVGAYAYEDA" "ADQDHDPRHPDDVLVSRQSNCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", ) - # def test_encode_3bww_masked(self): - # structure = self.get_structure("3bww.masked") - # states = self.encoder.encode_chain(structure[0]["A"]) - # sequence = self.encoder.build_sequence(states) - # self.assertEqual( - # sequence, - # "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" - # "DDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDPVDDDSSLVSQLVSCVSSVGAYAYEDA" - # "ADQDHDPRHPDDVLVSRQVSCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" - # "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", - # ) + def test_encode_8crb(self): + structure = _get_structure("8crb") + sequences = apply_chain_wise(structure, structure, to_3di, axis=None) + self.assertEqual(len(sequences), 3) def test_encode_8crb_A(self): structure = _get_structure("8crb") - states = self.encoder.encode_atoms(structure[structure.chain_id == 'A']) - sequence = self.encoder.build_sequence(states) + chain = structure[structure.chain_id == 'A'] + sequence = to_3di(chain) self.assertEqual( - sequence, + str(sequence), "DWAKDKDWADEDAAQAKTKIKMATPPDLLQDFFKFKWFDAPPDDIDGQAPGACPSPPLADDVHHHH" "GKGWHDDSVRRMIMIMGGNDDQVVFGKMKMFTADDADPQVVVPDGDDTDDMHDIDTYGHPPDDFFA" "WDKDKDQDDPVPCPVQKPKIKMKTDDGDDDDKDKAWLVNPGDPQKDDFDWDADPVRGIIDMIIGMD" @@ -143,10 +54,10 @@ def test_encode_8crb_A(self): def test_encode_8crb_B(self): structure = _get_structure("8crb") - states = self.encoder.encode_atoms(structure[structure.chain_id == 'B']) - sequence = self.encoder.build_sequence(states) + chain = structure[structure.chain_id == 'B'] + sequence = to_3di(chain) self.assertEqual( - sequence, + str(sequence), "DAAKDFDQQEEEAAQAKDKGWIFAADVPPVPDAFWKWWDAPPDDIDTAADPNQAGDPVDHSQKGWD" "ADHGITIIMGGRDDNSRQGFIWRAQPDDPDHNGHTDDTHGYYHCPDDQDDKDKDWDDAAVVVLVVL" "FGKTKIKIDDGDDPPKDKFKDLQNHTDDAQWDWDDWDLDPVRTIMTMIIRRDGVVSCVVSQKMKMW" @@ -155,10 +66,10 @@ def test_encode_8crb_B(self): def test_encode_8crb_C(self): structure = _get_structure("8crb") - states = self.encoder.encode_atoms(structure[structure.chain_id == 'C']) - sequence = self.encoder.build_sequence(states) + chain = structure[structure.chain_id == 'C'] + sequence = to_3di(chain) self.assertEqual( - sequence, + str(sequence), "DPCVLVVLVLQLVLVVLLLVVVVVVLVVCVVVLFKDWQDPVHDWQLACVSPDHDCPDCCSVPGSNN" "VQQCPKPLDDVTATNQSVQQIDDGDLDHDDDDDTIQGCPPPVRCSVVVVVVSVVSVVVSVVSCVVS" "VVVVVVD", From 9384ebbea92857120f335a1b35a2e37eaece673e Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 24 Sep 2024 11:38:55 +0200 Subject: [PATCH 06/16] Refactor 3Di functionality --- src/biotite/structure/alphabet/__init__.py | 33 +- src/biotite/structure/alphabet/encoder.py | 351 +++++++----------- src/biotite/structure/alphabet/i3d.py | 130 +++++++ src/biotite/structure/alphabet/layers.py | 70 ++-- src/biotite/structure/alphabet/sequence.py | 58 --- .../{_unkerasify.py => unkerasify.py} | 92 +++-- src/biotite/structure/alphabet/utils.py | 57 --- tests/structure/test_3di.py | 103 +++-- tests/test_repr.py | 2 + 9 files changed, 408 insertions(+), 488 deletions(-) create mode 100644 src/biotite/structure/alphabet/i3d.py delete mode 100644 src/biotite/structure/alphabet/sequence.py rename src/biotite/structure/alphabet/{_unkerasify.py => unkerasify.py} (63%) delete mode 100644 src/biotite/structure/alphabet/utils.py diff --git a/src/biotite/structure/alphabet/__init__.py b/src/biotite/structure/alphabet/__init__.py index 8524b9e6b..1e1678822 100644 --- a/src/biotite/structure/alphabet/__init__.py +++ b/src/biotite/structure/alphabet/__init__.py @@ -3,37 +3,10 @@ # information. """ -NumPy port of the ``foldseek`` code for encoding structures to 3di. +A subpackage for converting structures to structural alphabet sequences. """ __name__ = "biotite.structure.alphabet" -__author__ = "Martin Larralde" -__all__ = ["Encoder", "StructureSequence", "to_3di"] +__author__ = "Martin Larralde, Patrick Kunzmann" -from .encoder import Encoder -from .sequence import StructureSequence - -def to_3di(array): - r""" - Encode the atoms to the 3di structure alphabet. - - Parameters - ---------- - atoms : AtomArray - The atom array to encode to 3di. All atoms must be part of - a single chain. - - Returns - ------- - sequence : StructureSequence - The encoded structure sequence. - - Note - ---- - To encode atoms in different chains, use :func:`apply_chain_wise` to - return a list with one sequence per chain. - """ - encoder = Encoder() - sequence = StructureSequence() - sequence.code = encoder.encode_atoms(array).filled() - return sequence +from .i3d import * diff --git a/src/biotite/structure/alphabet/encoder.py b/src/biotite/structure/alphabet/encoder.py index 908731505..9793a59f4 100644 --- a/src/biotite/structure/alphabet/encoder.py +++ b/src/biotite/structure/alphabet/encoder.py @@ -2,177 +2,120 @@ # under the 3-Clause BSD License. Please see 'LICENSE.rst' for further # information. -from __future__ import annotations +""" +Implementation of the encoder neural network adapted from ``foldseek``. +""" + +__name__ = "biotite.structure.alphabet" +__author__ = "Martin Larralde" +__all__ = ["Encoder", "VirtualCenterEncoder", "PartnerIndexEncoder", "FeatureEncoder"] import abc -import enum -import functools -import struct -import typing from importlib.resources import files as resource_files - import numpy import numpy.ma +from biotite.structure.alphabet.layers import CentroidLayer, Model +from biotite.structure.alphabet.unkerasify import load_kerasify -from . import _unkerasify -from .layers import Layer, CentroidLayer, Model -from .utils import normalize, last - -from biotite.structure.atoms import AtomArray - - -T = typing.TypeVar("T") -if typing.TYPE_CHECKING: - from typing import Literal - from .utils import ArrayN, ArrayNx2, ArrayNx3, ArrayNx10, ArrayNxM -DISTANCE_ALPHA_BETA = 1.5336 -ALPHABET = numpy.array(list("ACDEFGHIKLMNPQRSTVWYX")) - - -class _BaseEncoder(abc.ABC, typing.Generic[T]): +class _BaseEncoder(abc.ABC): @abc.abstractmethod - def encode( - self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> T: - """Encode the given atom coordinates to a different representation. - - Arguments: - ca (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of - the *Cα* atom for each residue. - cb (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of - the *Cβ* atom for each residue. - n (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of - the *N* atom for each residue. - c (`numpy.ndarray` of shape :math:`(N, 3)`): The coordinates of - the *C* atom for each residue. - + def encode(self, ca, cb, n, c): + """ + Encode the given atom coordinates to a different representation. + + Parameters + ---------- + ca, cb, n, c : ndarray, shape=(n, 3), dtype=float + The coordinates of the ``CA``, ``CB``, ``N`` and ``C`` atoms for each + residue. + *NaN* if missing, e.g. ``CB`` for glycine. + + Returns + ------- + encoded : MaskedArray, shape=(n, m), dtype=float + The encoded representation. """ raise NotImplementedError - def encode_atoms( - self, - array: AtomArray, - ca_residue: bool = True, - disordered_atom: Literal["best", "last"] = "best", - ) -> T: - if not numpy.all(array.chain_id == array.chain_id[0]): - raise BadStructureError("structure contains more than one chain") - - ca_atoms = array[array.atom_name == 'CA'] - cb_atoms = array[array.atom_name == 'CB'] - n_atoms = array[array.atom_name == 'N'] - c_atoms = array[array.atom_name == 'C'] - - r = array.res_id.max() - - ca = numpy.zeros((r + 1, 3), dtype=numpy.float32) - ca.fill(numpy.nan) - cb = ca.copy() - n = ca.copy() - c = ca.copy() - - ca[ca_atoms.res_id, :] = ca_atoms.coord - cb[cb_atoms.res_id, :] = cb_atoms.coord - n[n_atoms.res_id, :] = n_atoms.coord - c[c_atoms.res_id, :] = c_atoms.coord - - if ca_residue: - ca = ca[ca_atoms.res_id] - cb = cb[ca_atoms.res_id] - n = n[ca_atoms.res_id] - c = c[ca_atoms.res_id] - else: - raise NotImplementedError - - return self.encode(ca, cb, n, c) - - -class VirtualCenterEncoder(_BaseEncoder["ArrayNx3[numpy.float32]"]): - """An encoder for converting a protein structure to a virtual center. + +class VirtualCenterEncoder(_BaseEncoder): + r""" + An encoder for converting a protein structure to a virtual center. For each residue, the coordinates of the virtual center are computed - from the coordinates of the *Cα*, *Cβ* and *N* atoms. The virtual center - *V* is defined by the angle θ (V-Cα-Cβ), the dihedral angle τ - (V-Cα-Cβ-N) and the length l (∣V − Cα∣). The default parameters used + from the coordinates of the ``CA``, ``CB`` and ``N`` atoms. The virtual center + :math:`V` is defined by the angle :math:`\theta = \angle V C_{\alpha} C_{\beta}`, + the dihedral angle :math:`\tau = \angle V C_{\alpha} C_{\beta} N` and the length + :math:`l = |V - C_{\alpha}|`. The default parameters used in ``foldseek`` were selected after optimization on a validation set. + Parameters + ---------- + distance_alpha_beta : float + The default distance between the ``CA`` and ``CB`` atoms to use when + reconstructing missing *Cβ* coordinates. + distance_alpha_v : float + The distance between the virtual center *V* and the ``CA`` atom, used to compute + the virtual center coordinates. + theta : float + The angle θ between the virtual center *V*, the ``CA`` and ``CB`` atoms, used to + compute the virtual center coordinates. + tau : float + The dihedral angle τ between the virtual center *V* and the ``CA``, ``CB`` + and ``N`` atoms, used to compute the virtual center coordinates. """ + _DISTANCE_ALPHA_BETA = 1.5336 + def __init__( self, *, - distance_alpha_beta = DISTANCE_ALPHA_BETA, - distance_alpha_v: float = 2.0, - theta: float = 270.0, - tau: float = 0.0, - ) -> None: - """Create a new encoder. - - Arguments: - distance_alpha_beta (`float`): The default distance between the - *Cα* and *Cβ* atoms to use when reconstructing missing *Cβ* - coordinates. - distance_alpha_v (`float`): The distance between the virtual - center *V* and the *Cα* atom, used to compute the virtual - center coordinates. - theta (`float`): The angle θ between the virtual center V, the - *Cα* and *Cβ* atoms, used to compute the virtual center - coordinates. - tau (`float`): The dihedral angle τ between the virtual center V, - and the *Cα*, *Cβ* and *N* atoms, used to compute the virtual - center coordinates. - - """ + distance_alpha_beta=_DISTANCE_ALPHA_BETA, + distance_alpha_v=2.0, + theta=270.0, + tau=0.0, + ): self.theta = theta self.tau = tau self.distance_alpha_v = distance_alpha_v self.distance_alpha_beta = distance_alpha_beta @property - def theta(self) -> float: + def theta(self): return numpy.rad2deg(self._theta) @theta.setter - def theta(self, theta: float) -> None: + def theta(self, theta): self._theta = numpy.deg2rad(theta) self._cos_theta = numpy.cos(self._theta) self._sin_theta = numpy.sin(self._theta) @property - def tau(self) -> float: + def tau(self): return numpy.rad2deg(self._tau) @tau.setter - def tau(self, tau: float) -> None: + def tau(self, tau): self._tau = numpy.deg2rad(tau) self._cos_tau = numpy.cos(self._tau) self._sin_tau = numpy.sin(self._tau) - def _compute_virtual_center( - self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - ) -> ArrayNx3[numpy.floating]: + def _compute_virtual_center(self, ca, cb, n): assert ca.shape == n.shape assert ca.shape == cb.shape v = cb - ca a = cb - ca b = n - ca # normal angle - k = normalize(numpy.cross(a, b, axis=-1), inplace=True) + k = _normalize(numpy.cross(a, b, axis=-1), inplace=True) v = ( v * self._cos_theta + numpy.cross(k, v) * self._sin_theta + k * (k * v).sum(axis=-1).reshape(-1, 1) * (1 - self._cos_theta) ) # dihedral angle - k = normalize(n - ca, inplace=True) + k = _normalize(n - ca, inplace=True) v = ( v * self._cos_tau + numpy.cross(k, v) * self._sin_tau @@ -183,49 +126,36 @@ def _compute_virtual_center( v += ca return v - def _approximate_cb_position( - self, - ca: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayNx3[numpy.floating]: - """Approximate the position of the Cβ from the backbone atoms.""" + def _approximate_cb_position(self, ca, n, c): + """ + Approximate the position of ``CB`` from the backbone atoms. + """ assert ca.shape == n.shape assert ca.shape == c.shape - v1 = normalize(c - ca, inplace=True) - v2 = normalize(n - ca, inplace=True) + v1 = _normalize(c - ca, inplace=True) + v2 = _normalize(n - ca, inplace=True) v3 = v1 / 3.0 b1 = numpy.add(v2, v3, out=v2) b2 = numpy.cross(v1, b1, axis=-1) - u1 = normalize(b1, inplace=True) - u2 = normalize(b2, inplace=True) + u1 = _normalize(b1, inplace=True) + u2 = _normalize(b2, inplace=True) out = (numpy.sqrt(8) / 3.0) * ((-u1 / 2.0) - (u2 * numpy.sqrt(3) / 2.0)) - v3 out *= self.distance_alpha_beta out += ca return out - def _create_nan_mask( - self, - ca: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayNx3[numpy.bool_]: - """Mask any column which contains at least one NaN value. + def _create_nan_mask(self, ca, n, c): + """ + Mask any column which contains at least one *NaN* value. """ mask_ca = numpy.isnan(ca).max(axis=1) mask_n = numpy.isnan(n).max(axis=1) - mask_c = numpy.isnan(n).max(axis=1) + mask_c = numpy.isnan(c).max(axis=1) return (mask_ca | mask_n | mask_c).repeat(3).reshape(-1, 3) - def encode( - self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayNx3[numpy.float32]: + def encode(self, ca, cb, n, c): ca = numpy.asarray(ca) cb = numpy.asarray(cb) n = numpy.asarray(n) @@ -245,30 +175,30 @@ def encode( # compute virtual center vc = self._compute_virtual_center(ca, cb, n) # mask residues without coordinates - return numpy.ma.masked_array( # type: ignore + return numpy.ma.masked_array( vc, mask=self._create_nan_mask(ca, n, c), fill_value=numpy.nan, ) -class PartnerIndexEncoder(_BaseEncoder["ArrayN[numpy.int64]"]): - """An encoder for converting a protein structure to partner indices. +class PartnerIndexEncoder(_BaseEncoder): + """ + An encoder for converting a protein structure to partner indices. - For each residue, the coordinates of the virtual center are computed - from the coordinates of the *Cα*, *Cβ* and *N* atoms. A pairwise - distance matrix is then created, and the index of the closest partner + For each residue, the coordinates of the virtual center are computed from the + coordinates of the ``CA``, ``CB`` and ``N`` atoms. + A pairwise distance matrix is then created, and the index of the closest partner residue is extracted for each position. - """ - def __init__(self) -> None: + def __init__(self): self.vc_encoder = VirtualCenterEncoder() def _find_residue_partners( self, - x: ArrayNx3[numpy.floating], - ) -> ArrayN[numpy.int64]: + x, + ): # compute pairwise squared distance matrix r = numpy.sum(x * x, axis=-1).reshape(-1, 1) r[0] = r[-1] = numpy.nan @@ -278,77 +208,56 @@ def _find_residue_partners( # get the closest non-masked residue return numpy.nan_to_num(D, copy=False, nan=numpy.inf).argmin(axis=1) - def encode( - self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayN[numpy.int64]: + def encode(self, ca, cb, n, c): # encode backbone atoms to virtual center vc = self.vc_encoder.encode(ca, cb, n, c) # find closest neighbor for each residue return self._find_residue_partners(vc) -class FeatureEncoder(_BaseEncoder["ArrayN[numpy.float32]"]): - """An encoder for converting a protein structure to structural descriptors. +class FeatureEncoder(_BaseEncoder): + """ + An encoder for converting a protein structure to structural descriptors. """ - def __init__(self) -> None: + def __init__(self): self.partner_index_encoder = PartnerIndexEncoder() self.vc_encoder = self.partner_index_encoder.vc_encoder - def _calc_conformation_descriptors( - self, - ca: ArrayNx3[numpy.floating], - partner_index: ArrayN[numpy.int64], - dtype: typing.Type[numpy.floating] = numpy.float32, - ) -> ArrayNx10[numpy.floating]: + def _calc_conformation_descriptors(self, ca, partner_index, dtype=numpy.float32): # build arrays of indices to use for vectorized angles - n = ca.shape[0] - I = numpy.arange(1, ca.shape[-2] - 1) - J = partner_index[I] + i = numpy.arange(1, ca.shape[-2] - 1) + j = partner_index[i] # compute conformational descriptors - u1 = normalize(ca[..., I, :] - ca[..., I - 1, :], inplace=True) - u2 = normalize(ca[..., I + 1, :] - ca[..., I, :], inplace=True) - u3 = normalize(ca[..., J, :] - ca[..., J - 1, :], inplace=True) - u4 = normalize(ca[..., J + 1, :] - ca[..., J, :], inplace=True) - u5 = normalize(ca[..., J, :] - ca[..., I, :], inplace=True) + u1 = _normalize(ca[..., i, :] - ca[..., i - 1, :], inplace=True) + u2 = _normalize(ca[..., i + 1, :] - ca[..., i, :], inplace=True) + u3 = _normalize(ca[..., j, :] - ca[..., j - 1, :], inplace=True) + u4 = _normalize(ca[..., j + 1, :] - ca[..., j, :], inplace=True) + u5 = _normalize(ca[..., j, :] - ca[..., i, :], inplace=True) desc = numpy.zeros((ca.shape[0], 10), dtype=dtype) - desc[I, 0] = numpy.sum(u1 * u2, axis=-1) - desc[I, 1] = numpy.sum(u3 * u4, axis=-1) - desc[I, 2] = numpy.sum(u1 * u5, axis=-1) - desc[I, 3] = numpy.sum(u3 * u5, axis=-1) - desc[I, 4] = numpy.sum(u1 * u4, axis=-1) - desc[I, 5] = numpy.sum(u2 * u3, axis=-1) - desc[I, 6] = numpy.sum(u1 * u3, axis=-1) - desc[I, 7] = numpy.linalg.norm(ca[I] - ca[J], axis=-1) - desc[I, 8] = numpy.clip(J - I, -4, 4) - desc[I, 9] = numpy.copysign(numpy.log(numpy.abs(J - I) + 1), J - I) + desc[i, 0] = numpy.sum(u1 * u2, axis=-1) + desc[i, 1] = numpy.sum(u3 * u4, axis=-1) + desc[i, 2] = numpy.sum(u1 * u5, axis=-1) + desc[i, 3] = numpy.sum(u3 * u5, axis=-1) + desc[i, 4] = numpy.sum(u1 * u4, axis=-1) + desc[i, 5] = numpy.sum(u2 * u3, axis=-1) + desc[i, 6] = numpy.sum(u1 * u3, axis=-1) + desc[i, 7] = numpy.linalg.norm(ca[i] - ca[j], axis=-1) + desc[i, 8] = numpy.clip(j - i, -4, 4) + desc[i, 9] = numpy.copysign(numpy.log(numpy.abs(j - i) + 1), j - i) return desc - def _create_descriptor_mask( - self, - mask: ArrayN[numpy.bool_], - partner_index: ArrayN[numpy.int64], - ) -> ArrayNx10[numpy.bool_]: - I = numpy.arange(1, mask.shape[0] - 1) - J = partner_index[I] + def _create_descriptor_mask(self, mask, partner_index): + i = numpy.arange(1, mask.shape[0] - 1) + j = partner_index[i] out = numpy.zeros((mask.shape[0], 10), dtype=numpy.bool_) out[1:-1, :] |= ( - mask[I - 1] | mask[I] | mask[I + 1] | mask[J - 1] | mask[J] | mask[J + 1] - ).reshape(mask.shape[0]-2, 1) + mask[i - 1] | mask[i] | mask[i + 1] | mask[j - 1] | mask[j] | mask[j + 1] + ).reshape(mask.shape[0] - 2, 1) out[0] = out[-1] = True return out - def encode( - self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayN[numpy.uint8]: + def encode(self, ca, cb, n, c): # encode backbone atoms to virtual center vc = self.vc_encoder.encode(ca, cb, n, c) # find closest neighbor for each residue @@ -357,19 +266,20 @@ def encode( descriptors = self._calc_conformation_descriptors(ca, partner_index) # create mask mask = self._create_descriptor_mask(vc.mask[:, 0], partner_index) - return numpy.ma.masked_array( # type: ignore + return numpy.ma.masked_array( descriptors, mask=mask, fill_value=numpy.nan, ) -class Encoder(_BaseEncoder["ArrayN[numpy.uint8]"]): - """An encoder for converting a protein structure to 3di states. +class Encoder(_BaseEncoder): + """ + An encoder for converting a protein structure to 3di states. """ _INVALID_STATE = 2 - _CENTROIDS: ArrayNx2[numpy.float32] = numpy.array( + _CENTROIDS = numpy.array( [ [-1.0729, -0.3600], [-0.1356, -1.8914], @@ -394,20 +304,20 @@ class Encoder(_BaseEncoder["ArrayN[numpy.uint8]"]): ] ) - def __init__(self) -> None: + def __init__(self): self.feature_encoder = FeatureEncoder() - with resource_files(__package__).joinpath("encoder_weights_3di.kerasify").open("rb") as f: - layers = _unkerasify.load(f) - layers.append(CentroidLayer(self._CENTROIDS)) - self.vae_encoder = Model(layers) + layers = load_kerasify( + resource_files(__package__).joinpath("encoder_weights_3di.kerasify") + ) + self.vae_encoder = Model(layers + (CentroidLayer(self._CENTROIDS),)) def encode( self, - ca: ArrayNx3[numpy.floating], - cb: ArrayNx3[numpy.floating], - n: ArrayNx3[numpy.floating], - c: ArrayNx3[numpy.floating], - ) -> ArrayN[numpy.uint8]: + ca, + cb, + n, + c, + ): descriptors = self.feature_encoder.encode(ca, cb, n, c) states = self.vae_encoder(descriptors.data) return numpy.ma.masked_array( @@ -416,6 +326,7 @@ def encode( fill_value=self._INVALID_STATE, ) - def build_sequence(self, states: ArrayN[numpy.uint8]) -> str: - return "".join( ALPHABET[states.filled()] ) +def _normalize(x, *, inplace=False): + norm = numpy.linalg.norm(x, axis=-1).reshape(*x.shape[:-1], 1) + return numpy.divide(x, norm, out=x if inplace else None, where=norm != 0) diff --git a/src/biotite/structure/alphabet/i3d.py b/src/biotite/structure/alphabet/i3d.py new file mode 100644 index 000000000..2833c63d3 --- /dev/null +++ b/src/biotite/structure/alphabet/i3d.py @@ -0,0 +1,130 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +NumPy port of the ``foldseek`` code for encoding structures to 3di. +""" + +__name__ = "biotite.structure.alphabet" +__author__ = "Martin Larralde" +__all__ = ["I3DSequence", "to_3di"] + +import numpy as np +from biotite.sequence.alphabet import LetterAlphabet +from biotite.sequence.sequence import Sequence +from biotite.structure.alphabet.encoder import Encoder +from biotite.structure.chains import get_chain_starts + + +class I3DSequence(Sequence): + """ + Representation of a structure sequence (in 3di alphabet). + + Parameters + ---------- + sequence : iterable object, optional + The initial 3Di sequence. + This may either be a list or a string. + May take upper or lower case letters. + By default the sequence is empty. + """ + + alphabet = LetterAlphabet( + [ + "A", + "C", + "D", + "E", + "F", + "G", + "H", + "I", + "K", + "L", + "M", + "N", + "P", + "Q", + "R", + "S", + "T", + "V", + "W", + "Y", + ] + ) + unknown_symbol = "D" + + def __init__(self, sequence=""): + if isinstance(sequence, str): + sequence = sequence.upper() + else: + sequence = [symbol.upper() for symbol in sequence] + seq_code = I3DSequence.alphabet.encode_multiple(sequence) + super().__init__() + self.code = seq_code + + def get_alphabet(self): + return I3DSequence.alphabet + + def __repr__(self): + return f'I3DSequence("{"".join(self.symbols)}")' + + +def to_3di(atoms): + r""" + Encode each chain in the given structure to the 3Di structure alphabet. + + Parameters + ---------- + atoms : AtomArray + The atom array to encode. All atoms must be part of + a single chain. + May contain multiple chains. + + Returns + ------- + sequences : list of Sequence, length=n + The encoded 3Di sequence for each peptide chain in the structure. + + chain_start_indices : ndarray, shape=(n,), dtype=int + The atom index where each chain starts. + """ + sequences = [] + chain_start_indices = get_chain_starts(atoms, add_exclusive_stop=True) + for i in range(len(chain_start_indices) - 1): + start = chain_start_indices[i] + stop = chain_start_indices[i + 1] + chain = atoms[start:stop] + sequence = I3DSequence() + sequence.code = _encode_atoms(chain).filled() + sequences.append(sequence) + return sequences, chain_start_indices[:-1] + + +def _encode_atoms(atoms): + ca_atoms = atoms[atoms.atom_name == "CA"] + cb_atoms = atoms[atoms.atom_name == "CB"] + n_atoms = atoms[atoms.atom_name == "N"] + c_atoms = atoms[atoms.atom_name == "C"] + + r = atoms.res_id.max() + + ca = np.zeros((r + 1, 3), dtype=np.float32) + ca.fill(np.nan) + cb = ca.copy() + n = ca.copy() + c = ca.copy() + + ca[ca_atoms.res_id, :] = ca_atoms.coord + cb[cb_atoms.res_id, :] = cb_atoms.coord + n[n_atoms.res_id, :] = n_atoms.coord + c[c_atoms.res_id, :] = c_atoms.coord + + ca = ca[ca_atoms.res_id] + cb = cb[ca_atoms.res_id] + n = n[ca_atoms.res_id] + c = c[ca_atoms.res_id] + + return Encoder().encode(ca, cb, n, c) diff --git a/src/biotite/structure/alphabet/layers.py b/src/biotite/structure/alphabet/layers.py index 21fe124ba..63279cd15 100644 --- a/src/biotite/structure/alphabet/layers.py +++ b/src/biotite/structure/alphabet/layers.py @@ -3,36 +3,26 @@ # information. """ -Mini implementation of the neural network layers used in ``foldseek``. +Implementation of the neural network layers used in ``foldseek``. """ -from __future__ import annotations + +__name__ = "biotite.structure.alphabet" +__author__ = "Martin Larralde" +__all__ = ["Layer", "DenseLayer", "CentroidLayer", "Model"] import abc import functools -import typing -from typing import Iterable, Optional - import numpy -from .utils import relu - -if typing.TYPE_CHECKING: - from .utils import ArrayNxM, ArrayN - class Layer(abc.ABC): @abc.abstractmethod - def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: + def __call__(self, x): raise NotImplementedError class DenseLayer(Layer): - def __init__( - self, - weights: ArrayNxM[numpy.floating], - biases: Optional[ArrayN[numpy.floating]] = None, - activation: bool = True - ): + def __init__(self, weights, biases=None, activation: bool = True): self.activation = activation self.weights = numpy.asarray(weights) if biases is None: @@ -40,25 +30,26 @@ def __init__( else: self.biases = numpy.asarray(biases) - def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: - _X = numpy.asarray(X) - out = _X @ self.weights + def __call__(self, x): + x = numpy.asarray(x) + out = x @ self.weights out += self.biases if self.activation: - return relu(out, out=out) + return _relu(out, out=out) else: return out class CentroidLayer(Layer): - def __init__(self, centroids: ArrayNxM[numpy.floating]) -> None: + def __init__(self, centroids) -> None: self.centroids = numpy.asarray(centroids) self.r2 = numpy.sum(self.centroids**2, axis=1).reshape(-1, 1).T - def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayN[numpy.uint8]: + + def __call__(self, x): # compute pairwise squared distance matrix - r1 = numpy.sum(X**2, axis=1).reshape(-1, 1) - D = r1 - 2 * X @ self.centroids.T + self.r2 + r1 = numpy.sum(x**2, axis=1).reshape(-1, 1) + D = r1 - 2 * x @ self.centroids.T + self.r2 # find closest centroid states = numpy.empty(D.shape[0], dtype=numpy.uint8) D.argmin(axis=1, out=states) @@ -66,7 +57,30 @@ def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayN[numpy.uint8]: class Model: - def __init__(self, layers: Iterable[Layer] = ()): + def __init__(self, layers=()): self.layers = list(layers) - def __call__(self, X: ArrayNxM[numpy.floating]) -> ArrayNxM[numpy.floating]: - return functools.reduce(lambda x, f: f(x), self.layers, X) + + def __call__(self, x): + return functools.reduce(lambda x, f: f(x), self.layers, x) + + +def _relu( + x, + out=None, + *, + where=True, + casting="same_kind", + order="K", + dtype=None, + subok=True, +): + return numpy.maximum( + 0.0, + x, + out=out, + where=where, + casting=casting, + order=order, + dtype=dtype, + subok=subok, + ) diff --git a/src/biotite/structure/alphabet/sequence.py b/src/biotite/structure/alphabet/sequence.py deleted file mode 100644 index 76232460a..000000000 --- a/src/biotite/structure/alphabet/sequence.py +++ /dev/null @@ -1,58 +0,0 @@ -# This source code is part of the Biotite package and is distributed -# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further -# information. - -__name__ = "biotite.structure.alphabet.sequence" -__author__ = "Martin Larralde" -__all__ = ["StructureSequence"] - -import numpy as np -from biotite.sequence.alphabet import AlphabetError, AlphabetMapper, LetterAlphabet -from biotite.sequence.sequence import Sequence - - -class StructureSequence(Sequence): - """ - Representation of a structure sequence (in 3di alphabet). - - Parameters - ---------- - sequence : iterable object, optional - The initial protein sequence. This may either be a list or a - string. May take upper or lower case letters. If a list is - given, the list elements must be 1-letter state representations. - By default the sequence is empty. - """ - - _codon_table = None - alphabet = LetterAlphabet( - [ - "A", - "C", - "D", - "E", - "F", - "G", - "H", - "I", - "K", - "L", - "M", - "N", - "P", - "Q", - "R", - "S", - "T", - "V", - "W", - "Y", - ] - ) - - def get_alphabet(self): - return StructureSequence.alphabet - - def __repr__(self): - """Represent StructureSequence as a string for debugging.""" - return f'StructureSequence("{"".join(self.symbols)}")' \ No newline at end of file diff --git a/src/biotite/structure/alphabet/_unkerasify.py b/src/biotite/structure/alphabet/unkerasify.py similarity index 63% rename from src/biotite/structure/alphabet/_unkerasify.py rename to src/biotite/structure/alphabet/unkerasify.py index 59c46733c..95e228af0 100644 --- a/src/biotite/structure/alphabet/_unkerasify.py +++ b/src/biotite/structure/alphabet/unkerasify.py @@ -6,19 +6,18 @@ Parser for extracting weights from Keras files. Adapted from `moof2k/kerasify `_. - """ -from __future__ import annotations + +__name__ = "biotite.structure.alphabet" +__author__ = "Martin Larralde" +__all__ = ["load_kerasify"] import enum +import functools import itertools import struct -import typing -from typing import BinaryIO, Iterable, List - -import numpy - -from .layers import Layer, DenseLayer +import numpy as np +from biotite.structure.alphabet.layers import DenseLayer, Layer class LayerType(enum.IntEnum): @@ -44,18 +43,43 @@ class ActivationType(enum.IntEnum): class KerasifyParser: """An incomplete parser for model files serialized with `kerasify`. - Note: - Only dense layers are supported, since the ``foldseek`` VQ-VAE model - is only using 3 dense layers. - + Notes + ----- + Only dense layers are supported, since the ``foldseek`` VQ-VAE model + is only using 3 dense layers. """ - def __init__(self, file: typing.BinaryIO) -> None: + def __init__(self, file) -> None: self.file = file self.buffer = bytearray(1024) (self.n_layers,) = self._get("I") - def __iter__(self) -> KerasifyParser: + def read(self): + if self.n_layers == 0: + return None + + self.n_layers -= 1 + layer_type = LayerType(self._get("I")[0]) + if layer_type == LayerType.DENSE: + (w0,) = self._get("I") + (w1,) = self._get("I") + (b0,) = self._get("I") + weights = ( + np.frombuffer(self._read(f"={w0*w1}f"), dtype="f4") + .reshape(w0, w1) + .copy() + ) + biases = np.frombuffer(self._read(f"={b0}f"), dtype="f4").copy() + activation = ActivationType(self._get("I")[0]) + if activation not in (ActivationType.LINEAR, ActivationType.RELU): + raise NotImplementedError( + f"Unsupported activation type: {activation!r}" + ) + return DenseLayer(weights, biases, activation == ActivationType.RELU) + else: + raise NotImplementedError(f"Unsupported layer type: {layer_type!r}") + + def __iter__(self): return self def __next__(self) -> Layer: @@ -74,33 +98,25 @@ def _read(self, format: str) -> memoryview: self.file.readinto(v) # type: ignore return v - def _get(self, format: str) -> typing.Tuple[typing.Any, ...]: + def _get(self, format: str): v = self._read(format) return struct.unpack(format, v) - def read(self) -> typing.Optional[Layer]: - if self.n_layers == 0: - return None - self.n_layers -= 1 - layer_type = LayerType(self._get("I")[0]) - if layer_type == LayerType.DENSE: - (w0,) = self._get("I") - (w1,) = self._get("I") - (b0,) = self._get("I") - weights = ( - numpy.frombuffer(self._read(f"={w0*w1}f"), dtype="f4") - .reshape(w0, w1) - .copy() - ) - biases = numpy.frombuffer(self._read(f"={b0}f"), dtype="f4").copy() - activation = ActivationType(self._get("I")[0]) - if activation not in (ActivationType.LINEAR, ActivationType.RELU): - raise NotImplementedError(f"Unsupported activation type: {activation!r}") - return DenseLayer(weights, biases, activation==ActivationType.RELU) - else: - raise NotImplementedError(f"Unsupported layer type: {layer_type!r}") +@functools.cache +def load_kerasify(file_path): + """ + Load the the model layers from a ``.kerasify`` file. + Parameters + ---------- + file_path : str + The path to the ``.kerasify`` file. -def load(fh: BinaryIO) -> List[Layer]: - return list(KerasifyParser(fh)) \ No newline at end of file + Returns + ------- + layers : tuple of Layer + The model layers. + """ + with open(file_path, "rb") as file: + return tuple(KerasifyParser(file)) diff --git a/src/biotite/structure/alphabet/utils.py b/src/biotite/structure/alphabet/utils.py deleted file mode 100644 index ee2e697a5..000000000 --- a/src/biotite/structure/alphabet/utils.py +++ /dev/null @@ -1,57 +0,0 @@ -# This source code is part of the Biotite package and is distributed -# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further -# information. - -from __future__ import annotations - -import typing -from collections import deque - -import numpy - -if typing.TYPE_CHECKING: - from types import ModuleType - from typing import Annotated, Literal, TypeVar - import numpy.typing - - DType = TypeVar("DType", bound=numpy.generic) - ArrayN = Annotated[numpy.typing.NDArray[DType], Literal["N"]] - ArrayNx2 = Annotated[numpy.typing.NDArray[DType], Literal["N", 2]] - ArrayNx3 = Annotated[numpy.typing.NDArray[DType], Literal["N", 3]] - ArrayNx10 = Annotated[numpy.typing.NDArray[DType], Literal["N", 10]] - ArrayNxM = Annotated[numpy.typing.NDArray[DType], Literal["N", "M"]] - - -def normalize(x: numpy.ndarray[numpy.number], *, inplace=False): - norm = numpy.linalg.norm(x, axis=-1).reshape(*x.shape[:-1], 1) - return numpy.divide(x, norm, out=x if inplace else None, where=norm != 0) - - -def relu( - x, - out=None, - *, - where=True, - casting="same_kind", - order="K", - dtype=None, - subok=True, -): - return numpy.maximum( - 0.0, - x, - out=out, - where=where, - casting=casting, - order=order, - dtype=dtype, - subok=subok, - ) - - -def last(it): - """Get the last element of an iterator. - """ - it = iter(it) - dd = deque(it, maxlen=1) - return dd.pop() diff --git a/tests/structure/test_3di.py b/tests/structure/test_3di.py index d3e20f079..4278f3dbf 100644 --- a/tests/structure/test_3di.py +++ b/tests/structure/test_3di.py @@ -1,76 +1,65 @@ -import unittest import pathlib - -import numpy - -from biotite.structure.io.pdb import PDBFile -from biotite.structure.atoms import AtomArray -from biotite.structure.alphabet import to_3di -from biotite.structure.alphabet.encoder import Encoder, PartnerIndexEncoder, VirtualCenterEncoder -from biotite.structure.chains import apply_chain_wise +import pytest +import biotite.structure.alphabet as strucalph +import biotite.structure.io.pdb as pdb from tests.util import data_dir -def _get_structure(name): - path = pathlib.Path(data_dir("structure")).joinpath(f"{name}.pdb") - file = PDBFile.read(path) - structure = file.get_structure() - return structure if isinstance(structure, AtomArray) else structure[0] - - -class TestEncoder(unittest.TestCase): - @classmethod - def setUpClass(cls): - cls.encoder = Encoder() - - def test_encode_3bww(self): - structure = _get_structure("3bww") - chain = structure[structure.chain_id == 'A'] - sequence = to_3di(chain) - self.assertEqual( - str(sequence), +@pytest.mark.parametrize( + "pdb_id, chain_id, ref_3di", + [ + ( + "3bww", + "A", "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" "LDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDVVSLVSSLVSQLVSCVSSVGAYAYEDA" "ADQDHDPRHPDDVLVSRQSNCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", - ) - - def test_encode_8crb(self): - structure = _get_structure("8crb") - sequences = apply_chain_wise(structure, structure, to_3di, axis=None) - self.assertEqual(len(sequences), 3) - - def test_encode_8crb_A(self): - structure = _get_structure("8crb") - chain = structure[structure.chain_id == 'A'] - sequence = to_3di(chain) - self.assertEqual( - str(sequence), + ), + ( + "8crb", + "A", "DWAKDKDWADEDAAQAKTKIKMATPPDLLQDFFKFKWFDAPPDDIDGQAPGACPSPPLADDVHHHH" "GKGWHDDSVRRMIMIMGGNDDQVVFGKMKMFTADDADPQVVVPDGDDTDDMHDIDTYGHPPDDFFA" "WDKDKDQDDPVPCPVQKPKIKMKTDDGDDDDKDKAWLVNPGDPQKDDFDWDADPVRGIIDMIIGMD" "GNVCFQVGFTKIWMAGVVVRDIDIDGGHD", - ) - - def test_encode_8crb_B(self): - structure = _get_structure("8crb") - chain = structure[structure.chain_id == 'B'] - sequence = to_3di(chain) - self.assertEqual( - str(sequence), + ), + ( + "8crb", + "B", "DAAKDFDQQEEEAAQAKDKGWIFAADVPPVPDAFWKWWDAPPDDIDTAADPNQAGDPVDHSQKGWD" "ADHGITIIMGGRDDNSRQGFIWRAQPDDPDHNGHTDDTHGYYHCPDDQDDKDKDWDDAAVVVLVVL" "FGKTKIKIDDGDDPPKDKFKDLQNHTDDAQWDWDDWDLDPVRTIMTMIIRRDGVVSCVVSQKMKMW" "IDDDVHTDIDMDGNVVHD", - ) - - def test_encode_8crb_C(self): - structure = _get_structure("8crb") - chain = structure[structure.chain_id == 'C'] - sequence = to_3di(chain) - self.assertEqual( - str(sequence), + ), + ( + "8crb", + "C", "DPCVLVVLVLQLVLVVLLLVVVVVVLVVCVVVLFKDWQDPVHDWQLACVSPDHDCPDCCSVPGSNN" "VQQCPKPLDDVTATNQSVQQIDDGDLDHDDDDDTIQGCPPPVRCSVVVVVVSVVSVVVSVVSCVVS" "VVVVVVD", - ) + ), + ], +) +def test_to_3di(pdb_id, chain_id, ref_3di): + """ + Check if the 3di sequence of a chain is correctly generated, by comparing the result + to a reference sequence generated with *foldseek*. + """ + path = pathlib.Path(data_dir("structure")) / f"{pdb_id}.pdb" + file = pdb.PDBFile.read(path) + atoms = file.get_structure(model=1) + chain = atoms[atoms.chain_id == chain_id] + + test_3di, _ = strucalph.to_3di(chain) + + # We filtered one chain -> There should be only one 3di sequence + assert len(test_3di) == 1 + assert str(test_3di[0]) == ref_3di + + +def test_missing(): + """ + Test if missing or non-peptide residues within a chain are correctly handled. + """ + pass diff --git a/tests/test_repr.py b/tests/test_repr.py index f8bf319c4..7097ba072 100644 --- a/tests/test_repr.py +++ b/tests/test_repr.py @@ -20,6 +20,7 @@ ) from biotite.sequence.align import Alignment, SubstitutionMatrix from biotite.structure import Atom +from biotite.structure.alphabet import I3DSequence __author__ = "Maximilian Greil" @@ -32,6 +33,7 @@ ProteinSequence("BIQTITE"), Alphabet(["X", "Y", "Z"]), GeneralSequence(Alphabet(["X", 42, False]), ["X", 42, "X"]), + I3DSequence("ACDE"), LetterAlphabet(["X", "Y", "Z"]), Location(98, 178), Feature("CDS", [Location(98, 178)], qual={"gene": "test1"}), From 827c4a3eddb18fbd4e3c958c7b7223b7115ade4a Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Sun, 6 Oct 2024 15:32:23 +0200 Subject: [PATCH 07/16] Fix typo --- src/biotite/structure/io/pdbx/convert.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/biotite/structure/io/pdbx/convert.py b/src/biotite/structure/io/pdbx/convert.py index 551155f5c..eef76924f 100644 --- a/src/biotite/structure/io/pdbx/convert.py +++ b/src/biotite/structure/io/pdbx/convert.py @@ -600,7 +600,7 @@ def _parse_inter_residue_bonds(atom_site, struct_conn): def _find_matches(query_arrays, reference_arrays): """ For each index in the `query_arrays` find the indices in the - `reference_arrays` where all query values the reference counterpart. + `reference_arrays` where all query values match the reference counterpart. If no match is found for a query, the corresponding index is -1. """ match_masks_for_all_columns = np.stack( From b27f189b34ac8419f2dc131bf54dc6e4b96355e8 Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 12:20:03 +0200 Subject: [PATCH 08/16] Add 3Di sequences for existing test structure --- tests/structure/data/3bww.pdb | 2898 ------- tests/structure/data/8crb.pdb | 9696 ---------------------- tests/structure/data/alphabet/README.rst | 18 + tests/structure/data/alphabet/i3d.fasta | 216 + tests/structure/data/ids.txt | 4 +- tests/structure/test_3di.py | 65 - tests/structure/test_i3d.py | 83 + 7 files changed, 318 insertions(+), 12662 deletions(-) delete mode 100644 tests/structure/data/3bww.pdb delete mode 100644 tests/structure/data/8crb.pdb create mode 100644 tests/structure/data/alphabet/README.rst create mode 100644 tests/structure/data/alphabet/i3d.fasta delete mode 100644 tests/structure/test_3di.py create mode 100644 tests/structure/test_i3d.py diff --git a/tests/structure/data/3bww.pdb b/tests/structure/data/3bww.pdb deleted file mode 100644 index c0e3c8c32..000000000 --- a/tests/structure/data/3bww.pdb +++ /dev/null @@ -1,2898 +0,0 @@ -HEADER METAL BINDING PROTEIN 10-JAN-08 3BWW -TITLE CRYSTAL STRUCTURE OF A DUF692 FAMILY PROTEIN (HS_1138) FROM -TITLE 2 HAEMOPHILUS SOMNUS 129PT AT 2.20 A RESOLUTION -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION DUF692/COG3220; -COMPND 3 CHAIN: A; -COMPND 4 FRAGMENT: RESIDUES 62-367; -COMPND 5 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS; -SOURCE 3 ORGANISM_TAXID: 205914; -SOURCE 4 STRAIN: 129PT; -SOURCE 5 GENE: YP_719350.1, HS_1138; -SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; -SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; -SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; -SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET -KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, -KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, METAL BINDING PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) -REVDAT 7 25-JAN-23 3BWW 1 REMARK SEQADV -REVDAT 6 24-JUL-19 3BWW 1 REMARK LINK -REVDAT 5 25-OCT-17 3BWW 1 REMARK -REVDAT 4 13-JUL-11 3BWW 1 VERSN -REVDAT 3 23-MAR-11 3BWW 1 HEADER TITLE KEYWDS -REVDAT 2 24-FEB-09 3BWW 1 VERSN -REVDAT 1 22-JAN-08 3BWW 0 -JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) -JRNL TITL CRYSTAL STRUCTURE OF PROTEIN OF UNKNOWN FUNCTION -JRNL TITL 2 (DUF692/COG3220) (YP_719350.1) FROM HAEMOPHILUS SOMNUS 129PT -JRNL TITL 3 AT 2.20 A RESOLUTION -JRNL REF TO BE PUBLISHED -JRNL REFN -REMARK 2 -REMARK 2 RESOLUTION. 2.20 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 5.2.0019 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, -REMARK 3 : NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.69 -REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 -REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 -REMARK 3 NUMBER OF REFLECTIONS : 17291 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM -REMARK 3 R VALUE (WORKING + TEST SET) : 0.198 -REMARK 3 R VALUE (WORKING SET) : 0.195 -REMARK 3 FREE R VALUE : 0.260 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 -REMARK 3 FREE R VALUE TEST SET COUNT : 883 -REMARK 3 -REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. -REMARK 3 TOTAL NUMBER OF BINS USED : 20 -REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.20 -REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.26 -REMARK 3 REFLECTION IN BIN (WORKING SET) : 924 -REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 75.23 -REMARK 3 BIN R VALUE (WORKING SET) : 0.4520 -REMARK 3 BIN FREE R VALUE SET COUNT : 42 -REMARK 3 BIN FREE R VALUE : 0.5910 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 1986 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 15 -REMARK 3 SOLVENT ATOMS : 123 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 B VALUE TYPE : LIKELY RESIDUAL -REMARK 3 FROM WILSON PLOT (A**2) : 34.91 -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.10 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : 1.26000 -REMARK 3 B22 (A**2) : 1.72000 -REMARK 3 B33 (A**2) : -2.98000 -REMARK 3 B12 (A**2) : 0.00000 -REMARK 3 B13 (A**2) : 0.00000 -REMARK 3 B23 (A**2) : 0.00000 -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): 0.234 -REMARK 3 ESU BASED ON FREE R VALUE (A): 0.214 -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.206 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 17.664 -REMARK 3 -REMARK 3 CORRELATION COEFFICIENTS. -REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.952 -REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.907 -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT -REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2092 ; 0.018 ; 0.022 -REMARK 3 BOND LENGTHS OTHERS (A): 1379 ; 0.002 ; 0.020 -REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2843 ; 1.707 ; 1.958 -REMARK 3 BOND ANGLES OTHERS (DEGREES): 3371 ; 1.010 ; 3.000 -REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 261 ; 6.471 ; 5.000 -REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 96 ;39.285 ;24.479 -REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 348 ;15.662 ;15.000 -REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;17.812 ;15.000 -REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 318 ; 0.094 ; 0.200 -REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2344 ; 0.006 ; 0.020 -REMARK 3 GENERAL PLANES OTHERS (A): 415 ; 0.001 ; 0.020 -REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 416 ; 0.200 ; 0.200 -REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1394 ; 0.187 ; 0.200 -REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 987 ; 0.183 ; 0.200 -REMARK 3 NON-BONDED TORSION OTHERS (A): 1089 ; 0.089 ; 0.200 -REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 89 ; 0.173 ; 0.200 -REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL -REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 1 ; 0.278 ; 0.200 -REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL -REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 8 ; 0.164 ; 0.200 -REMARK 3 SYMMETRY VDW OTHERS (A): 21 ; 0.323 ; 0.200 -REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 3 ; 0.161 ; 0.200 -REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL -REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL -REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1338 ; 0.818 ; 1.500 -REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 520 ; 0.147 ; 1.500 -REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2086 ; 1.450 ; 2.000 -REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 863 ; 2.143 ; 3.000 -REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 757 ; 3.109 ; 4.500 -REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 -REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT -REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL -REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL -REMARK 3 -REMARK 3 NCS RESTRAINTS STATISTICS -REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL -REMARK 3 -REMARK 3 TLS DETAILS -REMARK 3 NUMBER OF TLS GROUPS : 1 -REMARK 3 -REMARK 3 TLS GROUP : 1 -REMARK 3 NUMBER OF COMPONENTS GROUP : 1 -REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI -REMARK 3 RESIDUE RANGE : A 0 A 306 -REMARK 3 ORIGIN FOR THE GROUP (A): 34.6318 40.6090 15.4131 -REMARK 3 T TENSOR -REMARK 3 T11: -0.1547 T22: -0.1910 -REMARK 3 T33: -0.1752 T12: 0.0492 -REMARK 3 T13: 0.0167 T23: 0.0362 -REMARK 3 L TENSOR -REMARK 3 L11: 0.9469 L22: 1.2623 -REMARK 3 L33: 4.2166 L12: 0.2990 -REMARK 3 L13: 0.2255 L23: -0.5140 -REMARK 3 S TENSOR -REMARK 3 S11: 0.0621 S12: -0.1299 S13: -0.1110 -REMARK 3 S21: 0.1259 S22: 0.0217 S23: 0.0099 -REMARK 3 S31: 0.1640 S32: 0.0284 S33: -0.0838 -REMARK 3 -REMARK 3 BULK SOLVENT MODELLING. -REMARK 3 METHOD USED : MASK -REMARK 3 PARAMETERS FOR MASK CALCULATION -REMARK 3 VDW PROBE RADIUS : 1.20 -REMARK 3 ION PROBE RADIUS : 0.80 -REMARK 3 SHRINKAGE RADIUS : 0.80 -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: -REMARK 3 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. -REMARK 3 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. -REMARK 3 3. A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE -REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY -REMARK 3 OF THE SE ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 -REMARK 3 TO ACCOUNT FOR THE REDUCED SCATTERING POWER DUE TO PARTIAL -REMARK 3 S-MET INCORPORATION. -REMARK 3 4. THE PRESENCE OF IRON AND ARSENIC WERE CONFIRMED BY X-RAY -REMARK 3 FLUORESCENCE. THE METAL IDENTITY AT THE INDIVIDUAL FE AND -REMARK 3 CACODYLATE ION SITES WAS BASED ON ANOMALOUS DIFFERENCE FOURIER -REMARK 3 MAP COMPARISONS WITH DATA COLLECTED ABOVE AND BELOW THE FOLLOWING -REMARK 3 K ABSORPTION EDGES: FE, ZN, AS AND SE. -REMARK 4 -REMARK 4 3BWW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JAN-08. -REMARK 100 THE DEPOSITION ID IS D_1000046057. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 27-OCT-07 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 PH : 6.33 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : APS -REMARK 200 BEAMLINE : 23-ID-D -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.91840, 0.97939, 0.97953 -REMARK 200 MONOCHROMATOR : SI(111) DOUBLE CRYSTAL -REMARK 200 OPTICS : ADJUSTABLE FOCUSING MIRRORS IN K -REMARK 200 -B GEOMETRY -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD -REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM -REMARK 200 DATA SCALING SOFTWARE : SCALA -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17792 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 -REMARK 200 RESOLUTION RANGE LOW (A) : 28.689 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 -REMARK 200 DATA REDUNDANCY : 3.600 -REMARK 200 R MERGE (I) : 0.11000 -REMARK 200 R SYM (I) : 0.11000 -REMARK 200 FOR THE DATA SET : 4.5000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.26 -REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 -REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 -REMARK 200 R MERGE FOR SHELL (I) : 0.60000 -REMARK 200 R SYM FOR SHELL (I) : 0.60000 -REMARK 200 FOR SHELL : 0.700 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: MAD -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD -REMARK 200 SOFTWARE USED: SOLVE -REMARK 200 STARTING MODEL: NULL -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 48.18 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: NANODROP, 7.5% PEG 8000, 34.0% 2 -REMARK 280 -METHYL-2,4-PENTANEDIOL, 0.1M SODIUM CACODYLATE PH 6.33, VAPOR -REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 293K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X+1/2,-Y,Z+1/2 -REMARK 290 3555 -X,Y+1/2,-Z+1/2 -REMARK 290 4555 X+1/2,-Y+1/2,-Z -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.78600 -REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 47.79250 -REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 32.99600 -REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 47.79250 -REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.78600 -REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 32.99600 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 CYS A 98 -REMARK 465 GLU A 99 -REMARK 465 CYS A 100 -REMARK 465 ASP A 101 -REMARK 465 GLY A 102 -REMARK 465 HIS A 103 -REMARK 465 LEU A 104 -REMARK 465 TYR A 105 -REMARK 465 ASP A 106 -REMARK 465 GLY A 206 -REMARK 465 HIS A 207 -REMARK 465 ASP A 208 -REMARK 465 ASP A 209 -REMARK 465 GLU A 210 -REMARK 465 HIS A 211 -REMARK 465 ALA A 212 -REMARK 465 ALA A 213 -REMARK 465 THR A 214 -REMARK 465 GLU A 215 -REMARK 465 VAL A 216 -REMARK 465 GLN A 217 -REMARK 465 ILE A 218 -REMARK 465 GLN A 219 -REMARK 465 THR A 220 -REMARK 465 SER A 221 -REMARK 465 GLU A 222 -REMARK 465 SER A 223 -REMARK 465 PHE A 224 -REMARK 465 ASN A 225 -REMARK 465 LYS A 226 -REMARK 465 ILE A 227 -REMARK 465 LYS A 228 -REMARK 465 GLY A 229 -REMARK 465 ASP A 230 -REMARK 465 LEU A 231 -REMARK 465 ARG A 232 -REMARK 465 HIS A 233 -REMARK 465 LEU A 234 -REMARK 465 PRO A 235 -REMARK 465 PRO A 236 -REMARK 465 LEU A 237 -REMARK 465 LEU A 238 -REMARK 465 VAL A 239 -REMARK 465 ASP A 240 -REMARK 465 THR A 241 -REMARK 465 HIS A 242 -REMARK 465 GLY A 243 -REMARK 465 GLU A 244 -REMARK 465 ASN A 245 -REMARK 465 VAL A 246 -REMARK 465 LYS A 247 -REMARK 465 ASP A 272 -REMARK 465 PHE A 273 -REMARK 465 ASN A 274 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 ARG A 11 CG CD NE CZ NH1 NH2 -REMARK 470 ARG A 21 NE CZ NH1 NH2 -REMARK 470 LYS A 38 CE NZ -REMARK 470 SER A 64 OG -REMARK 470 LYS A 73 CG CD CE NZ -REMARK 470 GLU A 74 CD OE1 OE2 -REMARK 470 LYS A 84 CG CD CE NZ -REMARK 470 PHE A 97 CG CD1 CD2 CE1 CE2 CZ -REMARK 470 LEU A 107 CB CG CD1 CD2 -REMARK 470 LEU A 108 CB CG CD1 CD2 -REMARK 470 TYR A 143 CG CD1 CD2 CE1 CE2 CZ OH -REMARK 470 LEU A 144 CG CD1 CD2 -REMARK 470 GLU A 147 CD OE1 OE2 -REMARK 470 LYS A 197 CE NZ -REMARK 470 THR A 249 OG1 CG2 -REMARK 470 PHE A 275 CG CD1 CD2 CE1 CE2 CZ -REMARK 470 LYS A 280 CG CD CE NZ -REMARK 470 LYS A 283 NZ -REMARK 470 GLU A 284 CD OE1 OE2 -REMARK 470 LYS A 297 CE NZ -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 FE FE A 307 O HOH A 334 1.68 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 PRO A 276 C - N - CA ANGL. DEV. = 9.2 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 LEU A 108 141.77 -37.94 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 FE A 307 FE -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HIS A 59 NE2 -REMARK 620 2 HIS A 94 NE2 97.1 -REMARK 620 3 GLU A 138 OE1 87.1 80.3 -REMARK 620 4 CAC A 309 O1 173.3 78.7 97.2 -REMARK 620 5 HOH A 323 O 90.8 89.6 169.3 84.0 -REMARK 620 N 1 2 3 4 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 FE A 308 FE -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLU A 138 OE2 -REMARK 620 2 ASP A 171 OD2 95.5 -REMARK 620 3 HIS A 203 ND1 96.5 106.5 -REMARK 620 4 GLU A 270 OE1 171.9 78.1 80.9 -REMARK 620 5 CAC A 309 O2 91.5 76.6 171.1 91.8 -REMARK 620 6 HOH A 334 O 84.5 162.6 90.8 103.1 86.1 -REMARK 620 N 1 2 3 4 5 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A 307 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FE A 308 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CAC A 309 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 310 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 311 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 374865 RELATED DB: TARGETDB -REMARK 999 -REMARK 999 SEQUENCE -REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG -REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE -REMARK 999 LEAVING ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. -DBREF 3BWW A 1 306 UNP Q0I408 Q0I408_HAES1 62 367 -SEQADV 3BWW GLY A 0 UNP Q0I408 EXPRESSION TAG -SEQRES 1 A 307 GLY MSE ARG GLN GLY ALA GLY LEU GLY TYR ARG ARG ASP -SEQRES 2 A 307 LEU ALA GLU GLY PHE LEU GLN LEU ARG ASN ASN ASP ARG -SEQRES 3 A 307 ILE GLN PHE MSE GLU ILE ALA PRO GLU ASN TRP ILE LYS -SEQRES 4 A 307 MSE GLY GLY PHE ALA ARG TYR GLN PHE ASP LYS VAL ALA -SEQRES 5 A 307 GLU LYS ILE PRO ILE LEU ILE HIS GLY LEU SER LEU SER -SEQRES 6 A 307 LEU GLY GLY GLN ALA PRO LEU ASP LYS GLU LEU LEU SER -SEQRES 7 A 307 SER ILE LYS ALA MSE ILE LYS GLN TYR ASN THR PRO PHE -SEQRES 8 A 307 PHE SER ASP HIS LEU SER PHE CYS GLU CYS ASP GLY HIS -SEQRES 9 A 307 LEU TYR ASP LEU LEU PRO MSE PRO PHE THR ASP GLU ALA -SEQRES 10 A 307 VAL LYS HIS THR ALA ALA ARG ILE ARG GLU VAL GLN ASP -SEQRES 11 A 307 PHE LEU GLU ILE GLN ILE SER VAL GLU ASN THR SER TYR -SEQRES 12 A 307 TYR LEU HIS SER GLU THR SER THR MSE ASN GLU VAL GLU -SEQRES 13 A 307 PHE LEU ASN ALA ILE VAL GLN GLU ALA ASN CYS GLY ILE -SEQRES 14 A 307 HIS LEU ASP VAL ASN ASN ILE TYR VAL ASN ALA VAL ASN -SEQRES 15 A 307 HIS GLY LEU LEU ASP PRO HIS VAL PHE ILE ASP ASN VAL -SEQRES 16 A 307 ASP LEU LYS ARG VAL ASN TYR ILE HIS ILE ALA GLY HIS -SEQRES 17 A 307 ASP ASP GLU HIS ALA ALA THR GLU VAL GLN ILE GLN THR -SEQRES 18 A 307 SER GLU SER PHE ASN LYS ILE LYS GLY ASP LEU ARG HIS -SEQRES 19 A 307 LEU PRO PRO LEU LEU VAL ASP THR HIS GLY GLU ASN VAL -SEQRES 20 A 307 LYS GLY THR VAL TRP ASP LEU LEU GLU TYR THR TYR ALA -SEQRES 21 A 307 ARG LEU SER HIS MSE PRO PRO THR LEU LEU GLU ARG ASP -SEQRES 22 A 307 PHE ASN PHE PRO PRO PHE GLU LYS LEU CYS LYS GLU VAL -SEQRES 23 A 307 ASP ILE ILE HIS GLN LEU GLN GLN LYS TYR VAL LYS LYS -SEQRES 24 A 307 ARG GLY LEU SER TRP LEU LYS ILE -MODRES 3BWW MSE A 1 MET SELENOMETHIONINE -MODRES 3BWW MSE A 29 MET SELENOMETHIONINE -MODRES 3BWW MSE A 39 MET SELENOMETHIONINE -MODRES 3BWW MSE A 82 MET SELENOMETHIONINE -MODRES 3BWW MSE A 110 MET SELENOMETHIONINE -MODRES 3BWW MSE A 151 MET SELENOMETHIONINE -MODRES 3BWW MSE A 264 MET SELENOMETHIONINE -HET MSE A 1 8 -HET MSE A 29 16 -HET MSE A 39 8 -HET MSE A 82 8 -HET MSE A 110 16 -HET MSE A 151 8 -HET MSE A 264 8 -HET FE A 307 1 -HET FE A 308 1 -HET CAC A 309 5 -HET EDO A 310 4 -HET EDO A 311 4 -HETNAM MSE SELENOMETHIONINE -HETNAM FE FE (III) ION -HETNAM CAC CACODYLATE ION -HETNAM EDO 1,2-ETHANEDIOL -HETSYN CAC DIMETHYLARSINATE -HETSYN EDO ETHYLENE GLYCOL -FORMUL 1 MSE 7(C5 H11 N O2 SE) -FORMUL 2 FE 2(FE 3+) -FORMUL 4 CAC C2 H6 AS O2 1- -FORMUL 5 EDO 2(C2 H6 O2) -FORMUL 7 HOH *123(H2 O) -HELIX 1 1 ARG A 10 ASP A 12 5 3 -HELIX 2 2 LEU A 13 LEU A 20 1 8 -HELIX 3 3 ALA A 32 LYS A 38 1 7 -HELIX 4 4 GLY A 40 ALA A 51 1 12 -HELIX 5 5 ASP A 72 TYR A 86 1 15 -HELIX 6 6 THR A 113 GLU A 132 1 20 -HELIX 7 7 ASN A 152 ASN A 165 1 14 -HELIX 8 8 VAL A 172 GLY A 183 1 12 -HELIX 9 9 ASP A 186 VAL A 194 1 9 -HELIX 10 10 ASP A 195 LYS A 197 5 3 -HELIX 11 11 GLY A 248 ALA A 259 1 12 -HELIX 12 12 PRO A 277 GLY A 300 1 24 -SHEET 1 A 8 ILE A 56 ILE A 58 0 -SHEET 2 A 8 MSE A 29 ILE A 31 1 N MSE A 29 O LEU A 57 -SHEET 3 A 8 ALA A 5 GLY A 8 1 N LEU A 7 O GLU A 30 -SHEET 4 A 8 THR A 267 LEU A 269 1 O LEU A 269 N GLY A 6 -SHEET 5 A 8 VAL A 199 ILE A 204 1 N ILE A 202 O LEU A 268 -SHEET 6 A 8 GLY A 167 ASP A 171 1 N LEU A 170 O TYR A 201 -SHEET 7 A 8 SER A 136 GLU A 138 1 N VAL A 137 O HIS A 169 -SHEET 8 A 8 SER A 92 ASP A 93 1 N ASP A 93 O GLU A 138 -LINK C GLY A 0 N MSE A 1 1555 1555 1.34 -LINK C MSE A 1 N ARG A 2 1555 1555 1.33 -LINK C PHE A 28 N AMSE A 29 1555 1555 1.32 -LINK C PHE A 28 N BMSE A 29 1555 1555 1.33 -LINK C AMSE A 29 N GLU A 30 1555 1555 1.33 -LINK C BMSE A 29 N GLU A 30 1555 1555 1.33 -LINK C LYS A 38 N MSE A 39 1555 1555 1.33 -LINK C MSE A 39 N GLY A 40 1555 1555 1.33 -LINK C ALA A 81 N MSE A 82 1555 1555 1.34 -LINK C MSE A 82 N ILE A 83 1555 1555 1.33 -LINK C PRO A 109 N AMSE A 110 1555 1555 1.33 -LINK C PRO A 109 N BMSE A 110 1555 1555 1.34 -LINK C AMSE A 110 N PRO A 111 1555 1555 1.35 -LINK C BMSE A 110 N PRO A 111 1555 1555 1.35 -LINK C THR A 150 N MSE A 151 1555 1555 1.32 -LINK C MSE A 151 N ASN A 152 1555 1555 1.33 -LINK C HIS A 263 N MSE A 264 1555 1555 1.34 -LINK C MSE A 264 N PRO A 265 1555 1555 1.36 -LINK NE2 HIS A 59 FE FE A 307 1555 1555 2.24 -LINK NE2 HIS A 94 FE FE A 307 1555 1555 2.00 -LINK OE1 GLU A 138 FE FE A 307 1555 1555 2.12 -LINK OE2 GLU A 138 FE FE A 308 1555 1555 2.05 -LINK OD2 ASP A 171 FE FE A 308 1555 1555 2.20 -LINK ND1 HIS A 203 FE FE A 308 1555 1555 2.30 -LINK OE1 GLU A 270 FE FE A 308 1555 1555 2.38 -LINK FE FE A 307 O1 CAC A 309 1555 1555 2.33 -LINK FE FE A 307 O HOH A 323 1555 1555 2.44 -LINK FE FE A 308 O2 CAC A 309 1555 1555 2.06 -LINK FE FE A 308 O HOH A 334 1555 1555 2.41 -CISPEP 1 GLY A 0 MSE A 1 0 17.79 -SITE 1 AC1 7 HIS A 59 HIS A 94 GLU A 138 FE A 308 -SITE 2 AC1 7 CAC A 309 HOH A 323 HOH A 334 -SITE 1 AC2 7 GLU A 138 ASP A 171 HIS A 203 GLU A 270 -SITE 2 AC2 7 FE A 307 CAC A 309 HOH A 334 -SITE 1 AC3 9 HIS A 94 GLU A 138 ASP A 171 ASN A 174 -SITE 2 AC3 9 GLU A 270 FE A 307 FE A 308 HOH A 334 -SITE 3 AC3 9 HOH A 370 -SITE 1 AC4 2 THR A 140 GLU A 153 -SITE 1 AC5 3 LYS A 298 HOH A 383 HOH A 422 -CRYST1 53.572 65.992 95.585 90.00 90.00 90.00 P 21 21 21 4 -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 -SCALE1 0.018666 0.000000 0.000000 0.00000 -SCALE2 0.000000 0.015153 0.000000 0.00000 -SCALE3 0.000000 0.000000 0.010462 0.00000 -ATOM 1 N GLY A 0 32.076 51.161 29.817 1.00 61.23 N -ATOM 2 CA GLY A 0 32.907 51.853 28.756 1.00 61.34 C -ATOM 3 C GLY A 0 34.398 51.702 29.058 1.00 60.70 C -ATOM 4 O GLY A 0 34.782 51.765 30.237 1.00 61.37 O -HETATM 5 N MSE A 1 35.270 51.548 28.051 1.00 59.28 N -HETATM 6 CA MSE A 1 35.044 51.858 26.622 1.00 57.90 C -HETATM 7 C MSE A 1 36.066 51.089 25.787 1.00 54.51 C -HETATM 8 O MSE A 1 37.206 50.974 26.192 1.00 54.04 O -HETATM 9 CB MSE A 1 35.285 53.345 26.430 1.00 59.28 C -HETATM 10 CG MSE A 1 34.999 53.849 25.075 1.00 63.57 C -HETATM 11 SE MSE A 1 33.291 54.803 25.011 0.75 78.51 SE -HETATM 12 CE MSE A 1 32.043 53.508 25.944 1.00 76.06 C -ATOM 13 N ARG A 2 35.685 50.559 24.631 1.00 51.36 N -ATOM 14 CA ARG A 2 36.581 49.653 23.887 1.00 48.92 C -ATOM 15 C ARG A 2 37.227 50.247 22.651 1.00 47.23 C -ATOM 16 O ARG A 2 36.566 50.718 21.717 1.00 47.13 O -ATOM 17 CB ARG A 2 35.873 48.376 23.481 1.00 48.39 C -ATOM 18 CG ARG A 2 35.216 47.644 24.624 1.00 48.44 C -ATOM 19 CD ARG A 2 33.690 47.759 24.609 1.00 47.32 C -ATOM 20 NE ARG A 2 33.177 47.530 25.953 1.00 47.27 N -ATOM 21 CZ ARG A 2 32.407 48.373 26.634 1.00 47.53 C -ATOM 22 NH1 ARG A 2 31.971 49.526 26.126 1.00 48.70 N -ATOM 23 NH2 ARG A 2 32.064 48.048 27.857 1.00 48.92 N -ATOM 24 N GLN A 3 38.541 50.169 22.624 1.00 45.29 N -ATOM 25 CA GLN A 3 39.285 50.656 21.497 1.00 44.06 C -ATOM 26 C GLN A 3 40.611 49.946 21.474 1.00 42.00 C -ATOM 27 O GLN A 3 40.935 49.274 22.423 1.00 40.56 O -ATOM 28 CB GLN A 3 39.490 52.145 21.647 1.00 44.40 C -ATOM 29 CG GLN A 3 40.540 52.479 22.663 1.00 46.62 C -ATOM 30 CD GLN A 3 40.730 53.937 22.782 1.00 48.86 C -ATOM 31 OE1 GLN A 3 39.959 54.592 23.465 1.00 53.28 O -ATOM 32 NE2 GLN A 3 41.743 54.476 22.110 1.00 49.65 N -ATOM 33 N GLY A 4 41.365 50.093 20.389 1.00 40.72 N -ATOM 34 CA GLY A 4 42.726 49.583 20.325 1.00 40.04 C -ATOM 35 C GLY A 4 42.845 48.122 20.013 1.00 39.49 C -ATOM 36 O GLY A 4 42.146 47.621 19.137 1.00 39.59 O -ATOM 37 N ALA A 5 43.735 47.445 20.757 1.00 39.49 N -ATOM 38 CA ALA A 5 44.110 46.031 20.574 1.00 38.94 C -ATOM 39 C ALA A 5 43.674 45.207 21.786 1.00 39.13 C -ATOM 40 O ALA A 5 43.942 45.621 22.913 1.00 39.82 O -ATOM 41 CB ALA A 5 45.590 45.900 20.416 1.00 38.61 C -ATOM 42 N GLY A 6 43.081 44.021 21.540 1.00 38.26 N -ATOM 43 CA GLY A 6 42.544 43.114 22.566 1.00 37.00 C -ATOM 44 C GLY A 6 42.758 41.623 22.333 1.00 36.59 C -ATOM 45 O GLY A 6 43.344 41.192 21.363 1.00 36.70 O -ATOM 46 N LEU A 7 42.285 40.821 23.263 1.00 36.44 N -ATOM 47 CA LEU A 7 42.578 39.393 23.298 1.00 36.35 C -ATOM 48 C LEU A 7 41.308 38.648 23.689 1.00 36.80 C -ATOM 49 O LEU A 7 40.519 39.173 24.435 1.00 36.79 O -ATOM 50 CB LEU A 7 43.696 39.123 24.327 1.00 36.39 C -ATOM 51 CG LEU A 7 44.285 37.728 24.343 1.00 35.15 C -ATOM 52 CD1 LEU A 7 44.858 37.468 22.960 1.00 32.24 C -ATOM 53 CD2 LEU A 7 45.320 37.620 25.475 1.00 35.08 C -ATOM 54 N GLY A 8 41.080 37.442 23.184 1.00 37.47 N -ATOM 55 CA GLY A 8 39.858 36.720 23.530 1.00 37.63 C -ATOM 56 C GLY A 8 39.988 36.051 24.882 1.00 38.20 C -ATOM 57 O GLY A 8 41.051 35.557 25.196 1.00 39.06 O -ATOM 58 N TYR A 9 38.909 36.016 25.671 1.00 38.82 N -ATOM 59 CA TYR A 9 38.914 35.338 26.944 1.00 39.46 C -ATOM 60 C TYR A 9 38.677 33.835 26.757 1.00 41.30 C -ATOM 61 O TYR A 9 37.816 33.413 25.981 1.00 41.69 O -ATOM 62 CB TYR A 9 37.874 35.943 27.886 1.00 38.39 C -ATOM 63 CG TYR A 9 37.959 35.410 29.323 1.00 37.60 C -ATOM 64 CD1 TYR A 9 38.813 35.988 30.252 1.00 36.53 C -ATOM 65 CD2 TYR A 9 37.173 34.338 29.743 1.00 36.70 C -ATOM 66 CE1 TYR A 9 38.888 35.517 31.534 1.00 37.37 C -ATOM 67 CE2 TYR A 9 37.239 33.876 31.018 1.00 37.19 C -ATOM 68 CZ TYR A 9 38.110 34.462 31.924 1.00 36.14 C -ATOM 69 OH TYR A 9 38.212 33.984 33.203 1.00 35.53 O -ATOM 70 N ARG A 10 39.497 33.053 27.459 1.00 43.61 N -ATOM 71 CA ARG A 10 39.435 31.586 27.559 1.00 45.12 C -ATOM 72 C ARG A 10 39.599 31.297 29.053 1.00 44.81 C -ATOM 73 O ARG A 10 40.429 31.963 29.687 1.00 44.03 O -ATOM 74 CB ARG A 10 40.620 30.902 26.838 1.00 45.93 C -ATOM 75 CG ARG A 10 40.751 31.069 25.348 1.00 49.63 C -ATOM 76 CD ARG A 10 41.233 29.743 24.637 1.00 57.46 C -ATOM 77 NE ARG A 10 42.563 29.193 25.023 1.00 61.06 N -ATOM 78 CZ ARG A 10 43.753 29.492 24.443 1.00 64.23 C -ATOM 79 NH1 ARG A 10 43.869 30.382 23.435 1.00 65.05 N -ATOM 80 NH2 ARG A 10 44.874 28.903 24.890 1.00 64.44 N -ATOM 81 N ARG A 11 38.853 30.309 29.592 1.00 44.77 N -ATOM 82 CA ARG A 11 38.930 29.933 31.012 1.00 44.82 C -ATOM 83 C ARG A 11 40.359 29.557 31.375 1.00 44.94 C -ATOM 84 O ARG A 11 40.756 29.675 32.533 1.00 45.44 O -ATOM 85 CB ARG A 11 37.973 28.773 31.377 1.00 44.74 C -ATOM 86 N ASP A 12 41.145 29.105 30.398 1.00 44.81 N -ATOM 87 CA ASP A 12 42.534 28.681 30.687 1.00 44.80 C -ATOM 88 C ASP A 12 43.545 29.810 30.651 1.00 43.71 C -ATOM 89 O ASP A 12 44.680 29.631 31.086 1.00 44.43 O -ATOM 90 CB ASP A 12 43.006 27.524 29.787 1.00 45.06 C -ATOM 91 CG ASP A 12 42.954 27.859 28.330 1.00 48.69 C -ATOM 92 OD1 ASP A 12 41.896 27.615 27.706 1.00 53.63 O -ATOM 93 OD2 ASP A 12 43.973 28.366 27.799 1.00 52.27 O -ATOM 94 N LEU A 13 43.148 30.979 30.160 1.00 42.48 N -ATOM 95 CA LEU A 13 43.973 32.173 30.322 1.00 41.27 C -ATOM 96 C LEU A 13 43.530 33.015 31.527 1.00 40.39 C -ATOM 97 O LEU A 13 44.039 34.086 31.708 1.00 40.33 O -ATOM 98 CB LEU A 13 43.939 33.023 29.045 1.00 40.97 C -ATOM 99 CG LEU A 13 44.396 32.346 27.754 1.00 40.24 C -ATOM 100 CD1 LEU A 13 44.156 33.272 26.602 1.00 38.88 C -ATOM 101 CD2 LEU A 13 45.867 31.897 27.862 1.00 38.13 C -ATOM 102 N ALA A 14 42.595 32.532 32.340 1.00 39.87 N -ATOM 103 CA ALA A 14 42.035 33.331 33.417 1.00 39.67 C -ATOM 104 C ALA A 14 43.119 33.819 34.372 1.00 39.82 C -ATOM 105 O ALA A 14 43.020 34.916 34.906 1.00 39.71 O -ATOM 106 CB ALA A 14 40.896 32.571 34.181 1.00 39.52 C -ATOM 107 N GLU A 15 44.166 33.038 34.600 1.00 40.40 N -ATOM 108 CA GLU A 15 45.224 33.502 35.516 1.00 40.79 C -ATOM 109 C GLU A 15 45.998 34.732 34.998 1.00 39.62 C -ATOM 110 O GLU A 15 46.354 35.609 35.780 1.00 40.22 O -ATOM 111 CB GLU A 15 46.193 32.372 35.869 1.00 40.68 C -ATOM 112 CG GLU A 15 45.647 31.410 36.943 1.00 42.92 C -ATOM 113 CD GLU A 15 46.726 30.437 37.424 1.00 43.19 C -ATOM 114 OE1 GLU A 15 47.640 30.198 36.577 1.00 45.69 O -ATOM 115 OE2 GLU A 15 46.675 29.952 38.617 1.00 43.90 O -ATOM 116 N GLY A 16 46.288 34.781 33.700 1.00 38.35 N -ATOM 117 CA GLY A 16 46.920 35.960 33.104 1.00 37.28 C -ATOM 118 C GLY A 16 45.980 37.166 33.053 1.00 36.71 C -ATOM 119 O GLY A 16 46.375 38.286 33.337 1.00 36.14 O -ATOM 120 N PHE A 17 44.726 36.947 32.681 1.00 35.99 N -ATOM 121 CA PHE A 17 43.727 38.024 32.687 1.00 35.68 C -ATOM 122 C PHE A 17 43.512 38.645 34.081 1.00 35.60 C -ATOM 123 O PHE A 17 43.484 39.878 34.213 1.00 35.58 O -ATOM 124 CB PHE A 17 42.396 37.533 32.107 1.00 35.52 C -ATOM 125 CG PHE A 17 42.323 37.593 30.585 1.00 36.24 C -ATOM 126 CD1 PHE A 17 42.173 38.811 29.923 1.00 34.53 C -ATOM 127 CD2 PHE A 17 42.435 36.435 29.815 1.00 37.07 C -ATOM 128 CE1 PHE A 17 42.111 38.862 28.539 1.00 34.17 C -ATOM 129 CE2 PHE A 17 42.355 36.490 28.435 1.00 35.12 C -ATOM 130 CZ PHE A 17 42.179 37.701 27.807 1.00 36.21 C -ATOM 131 N LEU A 18 43.393 37.798 35.108 1.00 35.54 N -ATOM 132 CA LEU A 18 43.134 38.259 36.480 1.00 35.54 C -ATOM 133 C LEU A 18 44.297 39.035 37.070 1.00 36.33 C -ATOM 134 O LEU A 18 44.111 39.731 38.056 1.00 37.02 O -ATOM 135 CB LEU A 18 42.796 37.097 37.431 1.00 34.92 C -ATOM 136 CG LEU A 18 41.402 36.494 37.354 1.00 32.83 C -ATOM 137 CD1 LEU A 18 41.522 35.090 37.812 1.00 29.72 C -ATOM 138 CD2 LEU A 18 40.382 37.244 38.184 1.00 28.70 C -ATOM 139 N GLN A 19 45.488 38.892 36.493 1.00 36.95 N -ATOM 140 CA GLN A 19 46.676 39.617 36.944 1.00 37.76 C -ATOM 141 C GLN A 19 46.912 40.930 36.219 1.00 37.66 C -ATOM 142 O GLN A 19 47.740 41.709 36.631 1.00 38.78 O -ATOM 143 CB GLN A 19 47.891 38.701 36.907 1.00 37.74 C -ATOM 144 CG GLN A 19 47.716 37.629 37.984 1.00 41.12 C -ATOM 145 CD GLN A 19 48.895 36.739 38.173 1.00 44.37 C -ATOM 146 OE1 GLN A 19 49.922 37.164 38.709 1.00 45.39 O -ATOM 147 NE2 GLN A 19 48.755 35.470 37.760 1.00 46.59 N -ATOM 148 N LEU A 20 46.122 41.212 35.198 1.00 37.91 N -ATOM 149 CA LEU A 20 46.179 42.491 34.518 1.00 37.72 C -ATOM 150 C LEU A 20 45.711 43.558 35.516 1.00 38.61 C -ATOM 151 O LEU A 20 44.602 43.463 36.050 1.00 39.19 O -ATOM 152 CB LEU A 20 45.299 42.455 33.263 1.00 36.93 C -ATOM 153 CG LEU A 20 45.763 41.567 32.089 1.00 34.39 C -ATOM 154 CD1 LEU A 20 44.705 41.570 30.990 1.00 30.59 C -ATOM 155 CD2 LEU A 20 47.151 41.985 31.543 1.00 30.05 C -ATOM 156 N ARG A 21 46.578 44.535 35.795 1.00 39.24 N -ATOM 157 CA ARG A 21 46.268 45.619 36.728 1.00 39.67 C -ATOM 158 C ARG A 21 45.417 46.745 36.094 1.00 39.80 C -ATOM 159 O ARG A 21 44.825 47.537 36.805 1.00 40.32 O -ATOM 160 CB ARG A 21 47.554 46.128 37.377 1.00 39.78 C -ATOM 161 CG ARG A 21 48.076 45.157 38.496 1.00 41.20 C -ATOM 162 CD ARG A 21 47.000 44.833 39.614 1.00 41.13 C -ATOM 163 N ASN A 22 45.305 46.749 34.767 1.00 39.70 N -ATOM 164 CA ASN A 22 44.475 47.688 34.015 1.00 39.85 C -ATOM 165 C ASN A 22 44.223 47.183 32.567 1.00 40.02 C -ATOM 166 O ASN A 22 44.604 46.068 32.212 1.00 40.64 O -ATOM 167 CB ASN A 22 45.141 49.070 34.001 1.00 39.95 C -ATOM 168 CG ASN A 22 46.553 49.030 33.481 1.00 39.27 C -ATOM 169 OD1 ASN A 22 46.791 48.725 32.328 1.00 42.34 O -ATOM 170 ND2 ASN A 22 47.503 49.313 34.341 1.00 40.30 N -ATOM 171 N ASN A 23 43.572 47.986 31.729 1.00 39.58 N -ATOM 172 CA ASN A 23 43.419 47.637 30.327 1.00 39.17 C -ATOM 173 C ASN A 23 44.294 48.492 29.387 1.00 39.85 C -ATOM 174 O ASN A 23 43.866 48.834 28.283 1.00 40.01 O -ATOM 175 CB ASN A 23 41.951 47.703 29.916 1.00 38.87 C -ATOM 176 CG ASN A 23 41.453 49.104 29.756 1.00 37.49 C -ATOM 177 OD1 ASN A 23 41.777 49.972 30.536 1.00 38.16 O -ATOM 178 ND2 ASN A 23 40.649 49.333 28.740 1.00 37.76 N -ATOM 179 N ASP A 24 45.520 48.818 29.803 1.00 39.93 N -ATOM 180 CA ASP A 24 46.393 49.645 28.976 1.00 40.53 C -ATOM 181 C ASP A 24 47.018 48.841 27.836 1.00 39.93 C -ATOM 182 O ASP A 24 47.300 49.383 26.771 1.00 40.24 O -ATOM 183 CB ASP A 24 47.487 50.324 29.820 1.00 41.18 C -ATOM 184 CG ASP A 24 46.938 51.383 30.805 1.00 44.32 C -ATOM 185 OD1 ASP A 24 45.739 51.783 30.707 1.00 48.91 O -ATOM 186 OD2 ASP A 24 47.718 51.826 31.695 1.00 47.33 O -ATOM 187 N ARG A 25 47.233 47.548 28.069 1.00 39.84 N -ATOM 188 CA ARG A 25 47.872 46.652 27.097 1.00 39.91 C -ATOM 189 C ARG A 25 46.859 45.699 26.428 1.00 38.61 C -ATOM 190 O ARG A 25 46.728 45.654 25.217 1.00 39.02 O -ATOM 191 CB ARG A 25 48.951 45.884 27.849 1.00 40.42 C -ATOM 192 CG ARG A 25 50.035 45.344 26.994 1.00 43.27 C -ATOM 193 CD ARG A 25 50.839 44.316 27.761 1.00 45.57 C -ATOM 194 NE ARG A 25 51.801 43.627 26.903 1.00 47.56 N -ATOM 195 CZ ARG A 25 52.707 42.761 27.351 1.00 47.99 C -ATOM 196 NH1 ARG A 25 52.761 42.436 28.641 1.00 48.76 N -ATOM 197 NH2 ARG A 25 53.538 42.193 26.496 1.00 48.19 N -ATOM 198 N ILE A 26 46.123 44.960 27.248 1.00 37.68 N -ATOM 199 CA ILE A 26 44.974 44.203 26.802 1.00 36.47 C -ATOM 200 C ILE A 26 43.864 45.181 27.012 1.00 35.81 C -ATOM 201 O ILE A 26 43.377 45.317 28.088 1.00 35.47 O -ATOM 202 CB ILE A 26 44.778 42.874 27.611 1.00 36.30 C -ATOM 203 CG1 ILE A 26 46.054 42.042 27.560 1.00 36.20 C -ATOM 204 CG2 ILE A 26 43.673 42.031 27.043 1.00 34.30 C -ATOM 205 CD1 ILE A 26 46.621 41.830 26.164 1.00 35.06 C -ATOM 206 N GLN A 27 43.511 45.913 25.967 1.00 36.24 N -ATOM 207 CA GLN A 27 42.591 47.050 26.091 1.00 36.15 C -ATOM 208 C GLN A 27 41.102 46.678 26.156 1.00 35.89 C -ATOM 209 O GLN A 27 40.272 47.447 26.675 1.00 35.46 O -ATOM 210 CB GLN A 27 42.875 48.021 24.965 1.00 35.91 C -ATOM 211 CG GLN A 27 44.302 48.461 24.922 1.00 36.95 C -ATOM 212 CD GLN A 27 44.528 49.481 23.847 1.00 39.79 C -ATOM 213 OE1 GLN A 27 45.249 49.230 22.868 1.00 41.05 O -ATOM 214 NE2 GLN A 27 43.874 50.636 23.988 1.00 39.08 N -ATOM 215 N PHE A 28 40.784 45.496 25.625 1.00 35.46 N -ATOM 216 CA PHE A 28 39.449 44.887 25.738 1.00 35.60 C -ATOM 217 C PHE A 28 39.613 43.387 25.545 1.00 35.10 C -ATOM 218 O PHE A 28 40.669 42.920 25.133 1.00 35.88 O -ATOM 219 CB PHE A 28 38.417 45.448 24.712 1.00 35.91 C -ATOM 220 CG PHE A 28 38.800 45.206 23.298 1.00 35.39 C -ATOM 221 CD1 PHE A 28 39.732 46.024 22.682 1.00 36.07 C -ATOM 222 CD2 PHE A 28 38.280 44.154 22.603 1.00 36.73 C -ATOM 223 CE1 PHE A 28 40.137 45.810 21.421 1.00 35.74 C -ATOM 224 CE2 PHE A 28 38.685 43.906 21.309 1.00 38.40 C -ATOM 225 CZ PHE A 28 39.632 44.750 20.719 1.00 36.67 C -HETATM 226 N AMSE A 29 38.562 42.645 25.844 0.50 35.18 N -HETATM 227 N BMSE A 29 38.571 42.643 25.888 0.50 35.33 N -HETATM 228 CA AMSE A 29 38.525 41.222 25.574 0.50 35.36 C -HETATM 229 CA BMSE A 29 38.510 41.199 25.678 0.50 35.60 C -HETATM 230 C AMSE A 29 37.199 40.835 24.967 0.50 35.63 C -HETATM 231 C BMSE A 29 37.228 40.851 24.937 0.50 35.76 C -HETATM 232 O AMSE A 29 36.243 41.615 24.968 0.50 35.80 O -HETATM 233 O BMSE A 29 36.340 41.694 24.786 0.50 35.89 O -HETATM 234 CB AMSE A 29 38.768 40.408 26.843 0.50 35.14 C -HETATM 235 CB BMSE A 29 38.583 40.423 27.007 0.50 35.58 C -HETATM 236 CG AMSE A 29 37.663 40.477 27.882 0.50 35.22 C -HETATM 237 CG BMSE A 29 37.572 40.855 28.079 0.50 35.68 C -HETATM 238 SE AMSE A 29 38.327 39.793 29.517 0.37 36.20 SE -HETATM 239 SE BMSE A 29 37.433 39.664 29.577 0.38 36.64 SE -HETATM 240 CE AMSE A 29 36.878 40.295 30.744 0.50 32.89 C -HETATM 241 CE BMSE A 29 39.294 39.500 29.910 0.50 34.28 C -ATOM 242 N GLU A 30 37.153 39.610 24.464 1.00 35.67 N -ATOM 243 CA GLU A 30 35.999 39.104 23.756 1.00 35.76 C -ATOM 244 C GLU A 30 35.527 37.857 24.418 1.00 34.85 C -ATOM 245 O GLU A 30 36.328 37.094 24.876 1.00 34.20 O -ATOM 246 CB GLU A 30 36.388 38.759 22.329 1.00 36.42 C -ATOM 247 CG GLU A 30 35.198 38.463 21.431 1.00 37.97 C -ATOM 248 CD GLU A 30 35.616 38.027 20.069 1.00 40.81 C -ATOM 249 OE1 GLU A 30 35.875 38.902 19.230 1.00 45.65 O -ATOM 250 OE2 GLU A 30 35.683 36.801 19.845 1.00 44.15 O -ATOM 251 N ILE A 31 34.216 37.662 24.431 1.00 35.26 N -ATOM 252 CA ILE A 31 33.547 36.467 24.992 1.00 36.35 C -ATOM 253 C ILE A 31 32.370 36.090 24.077 1.00 36.53 C -ATOM 254 O ILE A 31 31.744 36.969 23.496 1.00 35.47 O -ATOM 255 CB ILE A 31 32.997 36.684 26.460 1.00 36.47 C -ATOM 256 CG1 ILE A 31 32.638 35.355 27.145 1.00 37.07 C -ATOM 257 CG2 ILE A 31 31.743 37.589 26.466 1.00 36.11 C -ATOM 258 CD1 ILE A 31 33.784 34.477 27.578 1.00 36.20 C -ATOM 259 N ALA A 32 32.115 34.780 23.945 1.00 36.94 N -ATOM 260 CA ALA A 32 30.937 34.273 23.252 1.00 36.98 C -ATOM 261 C ALA A 32 29.840 34.019 24.287 1.00 37.20 C -ATOM 262 O ALA A 32 30.120 33.498 25.359 1.00 35.88 O -ATOM 263 CB ALA A 32 31.284 32.969 22.508 1.00 36.32 C -ATOM 264 N PRO A 33 28.578 34.375 23.962 1.00 38.63 N -ATOM 265 CA PRO A 33 27.450 34.094 24.861 1.00 39.22 C -ATOM 266 C PRO A 33 27.244 32.602 25.106 1.00 40.36 C -ATOM 267 O PRO A 33 26.703 32.182 26.134 1.00 41.83 O -ATOM 268 CB PRO A 33 26.234 34.653 24.092 1.00 39.71 C -ATOM 269 CG PRO A 33 26.790 35.593 23.073 1.00 38.79 C -ATOM 270 CD PRO A 33 28.142 35.070 22.730 1.00 38.53 C -ATOM 271 N GLU A 34 27.615 31.797 24.127 1.00 40.99 N -ATOM 272 CA GLU A 34 27.450 30.374 24.223 1.00 40.72 C -ATOM 273 C GLU A 34 28.350 29.836 25.337 1.00 41.22 C -ATOM 274 O GLU A 34 27.993 28.861 25.990 1.00 42.54 O -ATOM 275 CB GLU A 34 27.774 29.719 22.885 1.00 40.26 C -ATOM 276 CG GLU A 34 26.733 29.954 21.774 1.00 40.36 C -ATOM 277 CD GLU A 34 26.824 31.306 21.105 1.00 39.20 C -ATOM 278 OE1 GLU A 34 27.836 31.995 21.320 1.00 36.94 O -ATOM 279 OE2 GLU A 34 25.873 31.674 20.364 1.00 40.79 O -ATOM 280 N ASN A 35 29.507 30.461 25.549 1.00 41.61 N -ATOM 281 CA ASN A 35 30.430 30.060 26.616 1.00 41.98 C -ATOM 282 C ASN A 35 30.103 30.698 27.955 1.00 41.06 C -ATOM 283 O ASN A 35 30.253 30.075 28.970 1.00 41.30 O -ATOM 284 CB ASN A 35 31.873 30.380 26.230 1.00 42.35 C -ATOM 285 CG ASN A 35 32.371 29.483 25.114 1.00 45.87 C -ATOM 286 OD1 ASN A 35 32.209 28.255 25.175 1.00 49.47 O -ATOM 287 ND2 ASN A 35 32.955 30.088 24.066 1.00 48.29 N -ATOM 288 N TRP A 36 29.670 31.948 27.941 1.00 40.65 N -ATOM 289 CA TRP A 36 29.278 32.657 29.147 1.00 40.01 C -ATOM 290 C TRP A 36 28.084 31.995 29.800 1.00 40.11 C -ATOM 291 O TRP A 36 28.086 31.772 30.987 1.00 39.64 O -ATOM 292 CB TRP A 36 28.958 34.101 28.770 1.00 39.73 C -ATOM 293 CG TRP A 36 28.588 35.013 29.859 1.00 38.71 C -ATOM 294 CD1 TRP A 36 29.426 35.756 30.586 1.00 39.24 C -ATOM 295 CD2 TRP A 36 27.265 35.375 30.269 1.00 39.71 C -ATOM 296 NE1 TRP A 36 28.737 36.515 31.482 1.00 39.36 N -ATOM 297 CE2 TRP A 36 27.398 36.325 31.292 1.00 39.75 C -ATOM 298 CE3 TRP A 36 25.977 34.989 29.867 1.00 39.61 C -ATOM 299 CZ2 TRP A 36 26.293 36.893 31.949 1.00 39.99 C -ATOM 300 CZ3 TRP A 36 24.876 35.560 30.506 1.00 39.84 C -ATOM 301 CH2 TRP A 36 25.046 36.510 31.538 1.00 39.55 C -ATOM 302 N ILE A 37 27.069 31.680 28.998 1.00 40.61 N -ATOM 303 CA ILE A 37 25.835 31.036 29.475 1.00 40.84 C -ATOM 304 C ILE A 37 26.152 29.740 30.226 1.00 41.34 C -ATOM 305 O ILE A 37 25.509 29.459 31.246 1.00 41.03 O -ATOM 306 CB ILE A 37 24.859 30.770 28.310 1.00 40.50 C -ATOM 307 CG1 ILE A 37 24.252 32.084 27.818 1.00 40.71 C -ATOM 308 CG2 ILE A 37 23.745 29.901 28.736 1.00 40.70 C -ATOM 309 CD1 ILE A 37 23.661 31.993 26.381 1.00 41.09 C -ATOM 310 N LYS A 38 27.153 28.980 29.747 1.00 41.60 N -ATOM 311 CA LYS A 38 27.463 27.669 30.320 1.00 41.69 C -ATOM 312 C LYS A 38 28.668 27.665 31.297 1.00 40.82 C -ATOM 313 O LYS A 38 29.111 26.617 31.730 1.00 40.23 O -ATOM 314 CB LYS A 38 27.511 26.554 29.223 1.00 41.84 C -ATOM 315 CG LYS A 38 28.721 26.525 28.292 1.00 43.25 C -ATOM 316 CD LYS A 38 28.446 25.663 27.030 1.00 42.73 C -HETATM 317 N MSE A 39 29.129 28.844 31.699 1.00 40.21 N -HETATM 318 CA MSE A 39 30.106 28.983 32.790 1.00 39.68 C -HETATM 319 C MSE A 39 29.535 28.564 34.126 1.00 40.02 C -HETATM 320 O MSE A 39 28.397 28.888 34.459 1.00 40.80 O -HETATM 321 CB MSE A 39 30.578 30.429 32.948 1.00 39.35 C -HETATM 322 CG MSE A 39 31.709 30.847 32.064 1.00 38.37 C -HETATM 323 SE MSE A 39 31.999 32.735 32.153 0.75 39.86 SE -HETATM 324 CE MSE A 39 33.335 32.886 30.763 1.00 37.71 C -ATOM 325 N GLY A 40 30.351 27.846 34.899 1.00 39.95 N -ATOM 326 CA GLY A 40 30.080 27.570 36.296 1.00 39.36 C -ATOM 327 C GLY A 40 30.225 28.801 37.166 1.00 38.53 C -ATOM 328 O GLY A 40 30.703 29.820 36.723 1.00 39.45 O -ATOM 329 N GLY A 41 29.802 28.690 38.410 1.00 37.66 N -ATOM 330 CA GLY A 41 29.873 29.774 39.361 1.00 37.19 C -ATOM 331 C GLY A 41 31.261 30.352 39.485 1.00 36.93 C -ATOM 332 O GLY A 41 31.415 31.571 39.413 1.00 37.44 O -ATOM 333 N PHE A 42 32.279 29.505 39.640 1.00 36.01 N -ATOM 334 CA PHE A 42 33.630 30.032 39.828 1.00 35.74 C -ATOM 335 C PHE A 42 34.244 30.559 38.543 1.00 35.59 C -ATOM 336 O PHE A 42 34.917 31.569 38.573 1.00 36.86 O -ATOM 337 CB PHE A 42 34.583 29.035 40.521 1.00 35.38 C -ATOM 338 CG PHE A 42 35.900 29.657 40.927 1.00 34.56 C -ATOM 339 CD1 PHE A 42 35.995 30.420 42.070 1.00 33.71 C -ATOM 340 CD2 PHE A 42 37.014 29.533 40.132 1.00 34.82 C -ATOM 341 CE1 PHE A 42 37.171 31.020 42.430 1.00 33.84 C -ATOM 342 CE2 PHE A 42 38.186 30.124 40.501 1.00 34.07 C -ATOM 343 CZ PHE A 42 38.258 30.872 41.650 1.00 33.58 C -ATOM 344 N ALA A 43 34.014 29.898 37.419 1.00 35.62 N -ATOM 345 CA ALA A 43 34.456 30.424 36.133 1.00 35.31 C -ATOM 346 C ALA A 43 33.857 31.783 35.841 1.00 35.83 C -ATOM 347 O ALA A 43 34.540 32.655 35.267 1.00 36.72 O -ATOM 348 CB ALA A 43 34.095 29.476 35.016 1.00 35.10 C -ATOM 349 N ARG A 44 32.573 31.958 36.165 1.00 35.83 N -ATOM 350 CA ARG A 44 31.899 33.249 35.959 1.00 35.87 C -ATOM 351 C ARG A 44 32.471 34.300 36.908 1.00 35.60 C -ATOM 352 O ARG A 44 32.725 35.432 36.506 1.00 36.33 O -ATOM 353 CB ARG A 44 30.382 33.148 36.141 1.00 36.08 C -ATOM 354 CG ARG A 44 29.619 34.508 36.050 1.00 36.38 C -ATOM 355 CD ARG A 44 29.517 35.027 34.638 1.00 37.14 C -ATOM 356 NE ARG A 44 28.751 34.086 33.838 1.00 38.47 N -ATOM 357 CZ ARG A 44 27.429 33.965 33.875 1.00 39.55 C -ATOM 358 NH1 ARG A 44 26.702 34.750 34.647 1.00 40.38 N -ATOM 359 NH2 ARG A 44 26.816 33.068 33.123 1.00 38.97 N -ATOM 360 N TYR A 45 32.695 33.928 38.159 1.00 34.80 N -ATOM 361 CA TYR A 45 33.345 34.835 39.091 1.00 34.16 C -ATOM 362 C TYR A 45 34.654 35.364 38.537 1.00 33.93 C -ATOM 363 O TYR A 45 34.910 36.554 38.557 1.00 33.71 O -ATOM 364 CB TYR A 45 33.608 34.125 40.403 1.00 34.24 C -ATOM 365 CG TYR A 45 34.139 35.038 41.452 1.00 33.92 C -ATOM 366 CD1 TYR A 45 33.351 36.054 41.930 1.00 34.40 C -ATOM 367 CD2 TYR A 45 35.420 34.906 41.950 1.00 32.79 C -ATOM 368 CE1 TYR A 45 33.799 36.897 42.857 1.00 33.90 C -ATOM 369 CE2 TYR A 45 35.877 35.760 42.886 1.00 33.55 C -ATOM 370 CZ TYR A 45 35.043 36.748 43.342 1.00 33.73 C -ATOM 371 OH TYR A 45 35.417 37.632 44.291 1.00 34.53 O -ATOM 372 N GLN A 46 35.491 34.477 38.027 1.00 34.14 N -ATOM 373 CA GLN A 46 36.784 34.908 37.487 1.00 33.89 C -ATOM 374 C GLN A 46 36.605 35.870 36.355 1.00 33.64 C -ATOM 375 O GLN A 46 37.300 36.883 36.281 1.00 34.40 O -ATOM 376 CB GLN A 46 37.564 33.715 36.952 1.00 34.00 C -ATOM 377 CG GLN A 46 37.948 32.687 37.966 1.00 33.77 C -ATOM 378 CD GLN A 46 38.767 31.570 37.331 1.00 33.52 C -ATOM 379 OE1 GLN A 46 38.374 31.007 36.327 1.00 34.91 O -ATOM 380 NE2 GLN A 46 39.907 31.266 37.909 1.00 31.45 N -ATOM 381 N PHE A 47 35.706 35.513 35.436 1.00 33.52 N -ATOM 382 CA PHE A 47 35.332 36.371 34.312 1.00 33.00 C -ATOM 383 C PHE A 47 34.854 37.732 34.761 1.00 33.29 C -ATOM 384 O PHE A 47 35.374 38.741 34.302 1.00 33.61 O -ATOM 385 CB PHE A 47 34.244 35.761 33.434 1.00 32.74 C -ATOM 386 CG PHE A 47 33.932 36.595 32.225 1.00 32.50 C -ATOM 387 CD1 PHE A 47 34.818 36.660 31.174 1.00 30.81 C -ATOM 388 CD2 PHE A 47 32.770 37.337 32.152 1.00 33.40 C -ATOM 389 CE1 PHE A 47 34.570 37.441 30.093 1.00 32.68 C -ATOM 390 CE2 PHE A 47 32.512 38.121 31.075 1.00 32.11 C -ATOM 391 CZ PHE A 47 33.412 38.182 30.034 1.00 33.49 C -ATOM 392 N ASP A 48 33.835 37.762 35.619 1.00 33.84 N -ATOM 393 CA ASP A 48 33.292 39.017 36.170 1.00 33.75 C -ATOM 394 C ASP A 48 34.349 39.877 36.857 1.00 33.91 C -ATOM 395 O ASP A 48 34.340 41.088 36.736 1.00 34.59 O -ATOM 396 CB ASP A 48 32.130 38.721 37.123 1.00 32.98 C -ATOM 397 CG ASP A 48 30.857 38.357 36.387 1.00 32.40 C -ATOM 398 OD1 ASP A 48 30.780 38.619 35.189 1.00 32.67 O -ATOM 399 OD2 ASP A 48 29.911 37.824 37.000 1.00 32.74 O -ATOM 400 N LYS A 49 35.258 39.228 37.558 1.00 34.58 N -ATOM 401 CA LYS A 49 36.356 39.881 38.221 1.00 35.13 C -ATOM 402 C LYS A 49 37.340 40.482 37.228 1.00 35.26 C -ATOM 403 O LYS A 49 37.868 41.551 37.469 1.00 36.06 O -ATOM 404 CB LYS A 49 37.043 38.870 39.152 1.00 36.05 C -ATOM 405 CG LYS A 49 38.081 39.456 40.126 1.00 38.05 C -ATOM 406 CD LYS A 49 38.145 38.716 41.466 1.00 40.27 C -ATOM 407 CE LYS A 49 38.754 39.611 42.543 1.00 42.06 C -ATOM 408 NZ LYS A 49 39.994 40.356 42.013 1.00 44.07 N -ATOM 409 N VAL A 50 37.613 39.805 36.114 1.00 35.67 N -ATOM 410 CA VAL A 50 38.464 40.367 35.060 1.00 35.31 C -ATOM 411 C VAL A 50 37.765 41.547 34.342 1.00 36.07 C -ATOM 412 O VAL A 50 38.409 42.520 34.010 1.00 36.79 O -ATOM 413 CB VAL A 50 38.860 39.300 34.026 1.00 34.34 C -ATOM 414 CG1 VAL A 50 39.585 39.942 32.906 1.00 32.21 C -ATOM 415 CG2 VAL A 50 39.698 38.215 34.667 1.00 34.28 C -ATOM 416 N ALA A 51 36.447 41.432 34.118 1.00 36.87 N -ATOM 417 CA ALA A 51 35.573 42.472 33.503 1.00 36.71 C -ATOM 418 C ALA A 51 35.462 43.780 34.313 1.00 37.92 C -ATOM 419 O ALA A 51 34.926 44.768 33.819 1.00 37.65 O -ATOM 420 CB ALA A 51 34.174 41.913 33.268 1.00 36.10 C -ATOM 421 N GLU A 52 35.930 43.762 35.562 1.00 38.79 N -ATOM 422 CA GLU A 52 36.066 44.964 36.360 1.00 39.63 C -ATOM 423 C GLU A 52 37.202 45.832 35.831 1.00 39.20 C -ATOM 424 O GLU A 52 37.169 47.038 36.017 1.00 40.28 O -ATOM 425 CB GLU A 52 36.307 44.627 37.832 1.00 39.31 C -ATOM 426 CG GLU A 52 35.073 44.165 38.573 1.00 41.11 C -ATOM 427 CD GLU A 52 35.383 43.641 39.992 1.00 43.18 C -ATOM 428 OE1 GLU A 52 36.542 43.830 40.476 1.00 49.01 O -ATOM 429 OE2 GLU A 52 34.467 43.015 40.613 1.00 49.39 O -ATOM 430 N LYS A 53 38.184 45.249 35.151 1.00 38.38 N -ATOM 431 CA LYS A 53 39.301 46.029 34.609 1.00 37.54 C -ATOM 432 C LYS A 53 39.400 46.038 33.097 1.00 36.51 C -ATOM 433 O LYS A 53 39.943 46.982 32.527 1.00 36.93 O -ATOM 434 CB LYS A 53 40.634 45.497 35.153 1.00 37.98 C -ATOM 435 CG LYS A 53 40.720 45.462 36.661 1.00 39.93 C -ATOM 436 CD LYS A 53 42.051 46.005 37.182 1.00 43.29 C -ATOM 437 CE LYS A 53 42.303 45.617 38.666 1.00 45.25 C -ATOM 438 NZ LYS A 53 41.029 45.448 39.424 1.00 46.53 N -ATOM 439 N ILE A 54 38.963 44.957 32.454 1.00 35.42 N -ATOM 440 CA ILE A 54 39.147 44.770 31.022 1.00 33.80 C -ATOM 441 C ILE A 54 37.746 44.714 30.406 1.00 34.35 C -ATOM 442 O ILE A 54 36.995 43.782 30.655 1.00 33.53 O -ATOM 443 CB ILE A 54 39.927 43.491 30.718 1.00 32.97 C -ATOM 444 CG1 ILE A 54 41.160 43.389 31.603 1.00 30.35 C -ATOM 445 CG2 ILE A 54 40.279 43.416 29.235 1.00 30.43 C -ATOM 446 CD1 ILE A 54 42.255 44.379 31.337 1.00 27.11 C -ATOM 447 N PRO A 55 37.367 45.755 29.649 1.00 34.59 N -ATOM 448 CA PRO A 55 36.050 45.801 28.998 1.00 34.70 C -ATOM 449 C PRO A 55 35.851 44.753 27.897 1.00 34.97 C -ATOM 450 O PRO A 55 36.816 44.296 27.307 1.00 34.86 O -ATOM 451 CB PRO A 55 35.981 47.220 28.449 1.00 34.59 C -ATOM 452 CG PRO A 55 37.361 47.701 28.406 1.00 34.04 C -ATOM 453 CD PRO A 55 38.162 46.964 29.384 1.00 34.13 C -ATOM 454 N AILE A 56 34.584 44.488 27.587 0.50 35.49 N -ATOM 455 N BILE A 56 34.600 44.336 27.687 0.50 35.49 N -ATOM 456 CA AILE A 56 34.132 43.309 26.845 0.50 35.59 C -ATOM 457 CA BILE A 56 34.280 43.231 26.773 0.50 35.51 C -ATOM 458 C AILE A 56 33.438 43.710 25.533 0.50 36.17 C -ATOM 459 C BILE A 56 33.470 43.680 25.552 0.50 36.15 C -ATOM 460 O AILE A 56 32.727 44.724 25.470 0.50 36.26 O -ATOM 461 O BILE A 56 32.734 44.680 25.568 0.50 36.28 O -ATOM 462 CB AILE A 56 33.106 42.507 27.724 0.50 35.45 C -ATOM 463 CB BILE A 56 33.542 42.004 27.474 0.50 35.40 C -ATOM 464 CG1AILE A 56 33.796 41.765 28.859 0.50 34.75 C -ATOM 465 CG1BILE A 56 32.136 42.366 27.983 0.50 35.64 C -ATOM 466 CG2AILE A 56 32.320 41.512 26.927 0.50 35.21 C -ATOM 467 CG2BILE A 56 34.372 41.463 28.610 0.50 34.93 C -ATOM 468 CD1AILE A 56 32.861 41.462 29.983 0.50 33.14 C -ATOM 469 CD1BILE A 56 31.122 41.190 28.028 0.50 34.91 C -ATOM 470 N LEU A 57 33.658 42.904 24.494 1.00 36.79 N -ATOM 471 CA LEU A 57 32.860 42.936 23.268 1.00 36.69 C -ATOM 472 C LEU A 57 32.281 41.513 23.175 1.00 36.29 C -ATOM 473 O LEU A 57 32.982 40.553 23.484 1.00 36.46 O -ATOM 474 CB LEU A 57 33.769 43.168 22.071 1.00 36.36 C -ATOM 475 CG LEU A 57 34.277 44.602 21.862 1.00 37.03 C -ATOM 476 CD1 LEU A 57 35.271 44.671 20.672 1.00 32.45 C -ATOM 477 CD2 LEU A 57 33.072 45.581 21.715 1.00 33.40 C -ATOM 478 N ILE A 58 31.028 41.379 22.736 1.00 35.77 N -ATOM 479 CA ILE A 58 30.356 40.082 22.631 1.00 34.90 C -ATOM 480 C ILE A 58 30.339 39.668 21.173 1.00 35.37 C -ATOM 481 O ILE A 58 29.804 40.365 20.325 1.00 34.80 O -ATOM 482 CB ILE A 58 28.891 40.116 23.201 1.00 34.84 C -ATOM 483 CG1 ILE A 58 28.865 40.662 24.634 1.00 33.36 C -ATOM 484 CG2 ILE A 58 28.281 38.749 23.166 1.00 33.55 C -ATOM 485 CD1 ILE A 58 27.505 41.118 25.076 1.00 34.61 C -ATOM 486 N HIS A 59 30.928 38.507 20.892 1.00 36.06 N -ATOM 487 CA HIS A 59 30.958 37.950 19.556 1.00 36.18 C -ATOM 488 C HIS A 59 30.482 36.583 19.668 1.00 36.62 C -ATOM 489 O HIS A 59 31.179 35.756 20.224 1.00 38.08 O -ATOM 490 CB HIS A 59 32.391 37.904 19.013 1.00 36.80 C -ATOM 491 CG HIS A 59 32.504 37.226 17.683 1.00 36.28 C -ATOM 492 ND1 HIS A 59 31.805 37.654 16.574 1.00 35.50 N -ATOM 493 CD2 HIS A 59 33.243 36.169 17.278 1.00 33.56 C -ATOM 494 CE1 HIS A 59 32.097 36.883 15.549 1.00 32.66 C -ATOM 495 NE2 HIS A 59 32.979 35.983 15.949 1.00 34.15 N -ATOM 496 N GLY A 60 29.308 36.324 19.112 1.00 38.27 N -ATOM 497 CA GLY A 60 28.618 35.061 19.305 1.00 38.61 C -ATOM 498 C GLY A 60 28.803 34.079 18.184 1.00 39.12 C -ATOM 499 O GLY A 60 29.029 34.452 17.062 1.00 40.01 O -ATOM 500 N LEU A 61 28.659 32.809 18.496 1.00 40.10 N -ATOM 501 CA LEU A 61 28.983 31.739 17.577 1.00 40.72 C -ATOM 502 C LEU A 61 27.778 31.196 16.816 1.00 40.48 C -ATOM 503 O LEU A 61 27.924 30.759 15.683 1.00 40.16 O -ATOM 504 CB LEU A 61 29.652 30.582 18.363 1.00 41.46 C -ATOM 505 CG LEU A 61 30.806 30.922 19.328 1.00 41.21 C -ATOM 506 CD1 LEU A 61 31.250 29.661 20.114 1.00 39.18 C -ATOM 507 CD2 LEU A 61 31.974 31.609 18.617 1.00 41.59 C -ATOM 508 N SER A 62 26.603 31.213 17.432 1.00 40.18 N -ATOM 509 CA SER A 62 25.540 30.325 16.982 1.00 40.49 C -ATOM 510 C SER A 62 24.184 30.943 16.560 1.00 40.77 C -ATOM 511 O SER A 62 23.271 30.221 16.185 1.00 39.80 O -ATOM 512 CB SER A 62 25.302 29.262 18.054 1.00 40.04 C -ATOM 513 OG SER A 62 24.707 29.834 19.186 1.00 39.89 O -ATOM 514 N LEU A 63 24.048 32.256 16.564 1.00 41.81 N -ATOM 515 CA LEU A 63 22.729 32.860 16.244 1.00 42.74 C -ATOM 516 C LEU A 63 22.196 32.565 14.817 1.00 43.30 C -ATOM 517 O LEU A 63 21.001 32.765 14.548 1.00 43.55 O -ATOM 518 CB LEU A 63 22.780 34.370 16.488 1.00 42.84 C -ATOM 519 CG LEU A 63 21.503 35.168 16.660 1.00 42.95 C -ATOM 520 CD1 LEU A 63 20.535 34.539 17.729 1.00 42.83 C -ATOM 521 CD2 LEU A 63 21.940 36.553 17.025 1.00 39.54 C -ATOM 522 N SER A 64 23.082 32.105 13.926 1.00 43.47 N -ATOM 523 CA SER A 64 22.716 31.632 12.596 1.00 43.60 C -ATOM 524 C SER A 64 21.877 32.665 11.858 1.00 43.74 C -ATOM 525 O SER A 64 20.706 32.400 11.615 1.00 44.19 O -ATOM 526 CB SER A 64 21.936 30.301 12.672 1.00 43.61 C -ATOM 527 N LEU A 65 22.459 33.820 11.491 1.00 43.37 N -ATOM 528 CA LEU A 65 21.673 34.956 10.928 1.00 42.89 C -ATOM 529 C LEU A 65 21.084 34.739 9.515 1.00 42.93 C -ATOM 530 O LEU A 65 20.117 35.392 9.137 1.00 41.98 O -ATOM 531 CB LEU A 65 22.508 36.237 10.933 1.00 42.53 C -ATOM 532 CG LEU A 65 22.909 36.738 12.312 1.00 41.49 C -ATOM 533 CD1 LEU A 65 24.103 37.682 12.184 1.00 37.06 C -ATOM 534 CD2 LEU A 65 21.669 37.356 12.977 1.00 37.75 C -ATOM 535 N GLY A 66 21.683 33.826 8.751 1.00 43.39 N -ATOM 536 CA GLY A 66 21.232 33.489 7.404 1.00 43.57 C -ATOM 537 C GLY A 66 20.601 32.123 7.312 1.00 43.77 C -ATOM 538 O GLY A 66 20.356 31.647 6.233 1.00 44.56 O -ATOM 539 N GLY A 67 20.322 31.514 8.461 1.00 44.48 N -ATOM 540 CA GLY A 67 19.762 30.178 8.562 1.00 44.37 C -ATOM 541 C GLY A 67 18.273 30.246 8.432 1.00 44.78 C -ATOM 542 O GLY A 67 17.702 31.325 8.378 1.00 44.24 O -ATOM 543 N GLN A 68 17.647 29.084 8.366 1.00 45.66 N -ATOM 544 CA GLN A 68 16.212 29.015 8.103 1.00 46.77 C -ATOM 545 C GLN A 68 15.432 28.779 9.377 1.00 46.94 C -ATOM 546 O GLN A 68 14.238 29.067 9.444 1.00 47.02 O -ATOM 547 CB GLN A 68 15.911 27.900 7.104 1.00 47.12 C -ATOM 548 CG GLN A 68 16.709 27.977 5.806 1.00 49.20 C -ATOM 549 CD GLN A 68 16.127 28.952 4.793 1.00 52.90 C -ATOM 550 OE1 GLN A 68 14.930 28.917 4.534 1.00 55.13 O -ATOM 551 NE2 GLN A 68 16.985 29.818 4.194 1.00 55.57 N -ATOM 552 N ALA A 69 16.116 28.229 10.382 1.00 47.64 N -ATOM 553 CA ALA A 69 15.517 27.929 11.674 1.00 47.80 C -ATOM 554 C ALA A 69 15.128 29.261 12.327 1.00 47.68 C -ATOM 555 O ALA A 69 15.834 30.241 12.143 1.00 47.74 O -ATOM 556 CB ALA A 69 16.532 27.171 12.550 1.00 48.01 C -ATOM 557 N PRO A 70 14.031 29.299 13.121 1.00 47.32 N -ATOM 558 CA PRO A 70 13.663 30.620 13.649 1.00 46.68 C -ATOM 559 C PRO A 70 14.723 31.080 14.659 1.00 45.76 C -ATOM 560 O PRO A 70 15.414 30.249 15.244 1.00 45.91 O -ATOM 561 CB PRO A 70 12.288 30.382 14.319 1.00 46.66 C -ATOM 562 CG PRO A 70 11.877 28.990 13.930 1.00 47.05 C -ATOM 563 CD PRO A 70 13.148 28.242 13.646 1.00 47.27 C -ATOM 564 N LEU A 71 14.868 32.391 14.832 1.00 44.75 N -ATOM 565 CA LEU A 71 15.881 32.948 15.729 1.00 43.51 C -ATOM 566 C LEU A 71 15.610 32.464 17.164 1.00 43.48 C -ATOM 567 O LEU A 71 14.463 32.383 17.606 1.00 43.80 O -ATOM 568 CB LEU A 71 15.933 34.493 15.628 1.00 42.50 C -ATOM 569 CG LEU A 71 16.558 35.020 14.345 1.00 39.60 C -ATOM 570 CD1 LEU A 71 16.171 36.447 14.060 1.00 36.97 C -ATOM 571 CD2 LEU A 71 18.054 34.842 14.410 1.00 34.49 C -ATOM 572 N ASP A 72 16.686 32.113 17.864 1.00 43.70 N -ATOM 573 CA ASP A 72 16.616 31.601 19.226 1.00 43.38 C -ATOM 574 C ASP A 72 16.353 32.764 20.177 1.00 42.69 C -ATOM 575 O ASP A 72 17.262 33.560 20.422 1.00 42.92 O -ATOM 576 CB ASP A 72 17.956 30.942 19.551 1.00 44.04 C -ATOM 577 CG ASP A 72 17.942 30.118 20.833 1.00 45.72 C -ATOM 578 OD1 ASP A 72 16.956 30.117 21.600 1.00 50.41 O -ATOM 579 OD2 ASP A 72 18.958 29.439 21.078 1.00 50.35 O -ATOM 580 N LYS A 73 15.127 32.873 20.700 1.00 41.59 N -ATOM 581 CA LYS A 73 14.797 33.951 21.651 1.00 41.22 C -ATOM 582 C LYS A 73 15.487 33.767 23.031 1.00 40.47 C -ATOM 583 O LYS A 73 15.780 34.755 23.693 1.00 40.79 O -ATOM 584 CB LYS A 73 13.267 34.170 21.760 1.00 41.74 C -ATOM 585 N GLU A 74 15.775 32.520 23.435 1.00 39.80 N -ATOM 586 CA GLU A 74 16.473 32.221 24.708 1.00 39.33 C -ATOM 587 C GLU A 74 17.929 32.745 24.628 1.00 39.20 C -ATOM 588 O GLU A 74 18.376 33.459 25.522 1.00 39.18 O -ATOM 589 CB GLU A 74 16.407 30.712 25.080 1.00 39.52 C -ATOM 590 CG GLU A 74 14.968 30.118 25.448 1.00 38.78 C -ATOM 591 N LEU A 75 18.627 32.432 23.531 1.00 38.87 N -ATOM 592 CA LEU A 75 19.958 33.002 23.215 1.00 38.67 C -ATOM 593 C LEU A 75 19.980 34.524 23.074 1.00 37.95 C -ATOM 594 O LEU A 75 20.817 35.175 23.663 1.00 38.22 O -ATOM 595 CB LEU A 75 20.493 32.403 21.930 1.00 38.54 C -ATOM 596 CG LEU A 75 21.912 32.838 21.545 1.00 40.34 C -ATOM 597 CD1 LEU A 75 22.861 32.697 22.759 1.00 41.45 C -ATOM 598 CD2 LEU A 75 22.437 32.075 20.300 1.00 38.93 C -ATOM 599 N LEU A 76 19.079 35.085 22.272 1.00 38.07 N -ATOM 600 CA LEU A 76 18.930 36.549 22.136 1.00 37.75 C -ATOM 601 C LEU A 76 18.728 37.242 23.469 1.00 38.17 C -ATOM 602 O LEU A 76 19.268 38.323 23.676 1.00 38.05 O -ATOM 603 CB LEU A 76 17.790 36.919 21.154 1.00 38.01 C -ATOM 604 CG LEU A 76 18.164 36.850 19.664 1.00 36.61 C -ATOM 605 CD1 LEU A 76 16.979 36.890 18.736 1.00 31.74 C -ATOM 606 CD2 LEU A 76 19.092 37.974 19.352 1.00 35.73 C -ATOM 607 N SER A 77 17.965 36.622 24.372 1.00 39.23 N -ATOM 608 CA SER A 77 17.767 37.164 25.711 1.00 39.92 C -ATOM 609 C SER A 77 19.036 37.178 26.562 1.00 40.66 C -ATOM 610 O SER A 77 19.243 38.106 27.339 1.00 41.27 O -ATOM 611 CB SER A 77 16.672 36.424 26.456 1.00 40.50 C -ATOM 612 OG SER A 77 15.404 36.822 25.960 1.00 40.72 O -ATOM 613 N SER A 78 19.885 36.163 26.443 1.00 40.67 N -ATOM 614 CA SER A 78 21.148 36.184 27.158 1.00 40.22 C -ATOM 615 C SER A 78 22.060 37.213 26.536 1.00 39.88 C -ATOM 616 O SER A 78 22.819 37.832 27.247 1.00 41.49 O -ATOM 617 CB SER A 78 21.822 34.830 27.143 1.00 40.00 C -ATOM 618 OG SER A 78 20.870 33.852 27.438 1.00 40.70 O -ATOM 619 N ILE A 79 22.001 37.417 25.224 1.00 38.92 N -ATOM 620 CA ILE A 79 22.838 38.451 24.612 1.00 38.02 C -ATOM 621 C ILE A 79 22.397 39.845 25.155 1.00 38.17 C -ATOM 622 O ILE A 79 23.223 40.666 25.532 1.00 38.23 O -ATOM 623 CB ILE A 79 22.851 38.357 23.047 1.00 37.08 C -ATOM 624 CG1 ILE A 79 23.474 37.033 22.619 1.00 34.78 C -ATOM 625 CG2 ILE A 79 23.591 39.567 22.428 1.00 36.21 C -ATOM 626 CD1 ILE A 79 23.117 36.611 21.224 1.00 31.97 C -ATOM 627 N LYS A 80 21.096 40.088 25.226 1.00 38.35 N -ATOM 628 CA LYS A 80 20.595 41.376 25.698 1.00 38.57 C -ATOM 629 C LYS A 80 20.965 41.567 27.169 1.00 38.59 C -ATOM 630 O LYS A 80 21.285 42.670 27.594 1.00 38.58 O -ATOM 631 CB LYS A 80 19.062 41.490 25.484 1.00 38.78 C -ATOM 632 CG LYS A 80 18.560 42.918 25.281 1.00 38.64 C -ATOM 633 CD LYS A 80 17.050 42.981 25.206 1.00 39.55 C -ATOM 634 CE LYS A 80 16.544 44.392 24.911 1.00 39.69 C -ATOM 635 NZ LYS A 80 15.080 44.373 24.461 1.00 42.19 N -ATOM 636 N ALA A 81 20.931 40.484 27.937 1.00 38.55 N -ATOM 637 CA ALA A 81 21.294 40.517 29.354 1.00 38.93 C -ATOM 638 C ALA A 81 22.767 40.861 29.561 1.00 39.23 C -ATOM 639 O ALA A 81 23.071 41.672 30.438 1.00 40.42 O -ATOM 640 CB ALA A 81 20.956 39.178 30.047 1.00 38.51 C -HETATM 641 N MSE A 82 23.657 40.241 28.773 1.00 38.66 N -HETATM 642 CA MSE A 82 25.091 40.549 28.785 1.00 38.42 C -HETATM 643 C MSE A 82 25.413 42.002 28.378 1.00 38.35 C -HETATM 644 O MSE A 82 26.254 42.662 28.987 1.00 38.36 O -HETATM 645 CB MSE A 82 25.824 39.609 27.832 1.00 38.23 C -HETATM 646 CG MSE A 82 25.717 38.135 28.157 1.00 38.34 C -HETATM 647 SE MSE A 82 26.581 37.066 26.834 0.75 39.13 SE -HETATM 648 CE MSE A 82 28.443 37.415 27.258 1.00 33.78 C -ATOM 649 N ILE A 83 24.761 42.489 27.329 1.00 38.58 N -ATOM 650 CA ILE A 83 24.928 43.868 26.867 1.00 38.19 C -ATOM 651 C ILE A 83 24.628 44.832 28.000 1.00 38.27 C -ATOM 652 O ILE A 83 25.393 45.744 28.243 1.00 37.58 O -ATOM 653 CB ILE A 83 23.998 44.202 25.649 1.00 38.68 C -ATOM 654 CG1 ILE A 83 24.450 43.447 24.390 1.00 37.43 C -ATOM 655 CG2 ILE A 83 23.983 45.690 25.395 1.00 37.90 C -ATOM 656 CD1 ILE A 83 23.438 43.454 23.233 1.00 37.55 C -ATOM 657 N LYS A 84 23.517 44.605 28.697 1.00 38.66 N -ATOM 658 CA LYS A 84 23.114 45.410 29.858 1.00 39.01 C -ATOM 659 C LYS A 84 24.095 45.190 31.004 1.00 39.20 C -ATOM 660 O LYS A 84 24.574 46.153 31.570 1.00 40.08 O -ATOM 661 CB LYS A 84 21.671 45.106 30.337 1.00 38.07 C -ATOM 662 N GLN A 85 24.393 43.940 31.345 1.00 39.19 N -ATOM 663 CA GLN A 85 25.232 43.646 32.512 1.00 39.14 C -ATOM 664 C GLN A 85 26.642 44.214 32.413 1.00 39.02 C -ATOM 665 O GLN A 85 27.175 44.696 33.390 1.00 40.04 O -ATOM 666 CB GLN A 85 25.292 42.127 32.798 1.00 38.85 C -ATOM 667 CG GLN A 85 26.345 41.753 33.868 1.00 39.79 C -ATOM 668 CD GLN A 85 26.279 40.311 34.385 1.00 39.65 C -ATOM 669 OE1 GLN A 85 25.378 39.547 34.069 1.00 40.84 O -ATOM 670 NE2 GLN A 85 27.253 39.952 35.209 1.00 41.31 N -ATOM 671 N TYR A 86 27.252 44.129 31.240 1.00 39.18 N -ATOM 672 CA TYR A 86 28.660 44.486 31.033 1.00 38.57 C -ATOM 673 C TYR A 86 28.759 45.818 30.305 1.00 39.11 C -ATOM 674 O TYR A 86 29.818 46.260 29.906 1.00 37.82 O -ATOM 675 CB TYR A 86 29.346 43.393 30.226 1.00 38.21 C -ATOM 676 CG TYR A 86 29.374 42.143 30.997 1.00 37.46 C -ATOM 677 CD1 TYR A 86 30.205 42.028 32.097 1.00 35.56 C -ATOM 678 CD2 TYR A 86 28.540 41.079 30.669 1.00 36.70 C -ATOM 679 CE1 TYR A 86 30.214 40.905 32.839 1.00 36.41 C -ATOM 680 CE2 TYR A 86 28.546 39.935 31.409 1.00 35.55 C -ATOM 681 CZ TYR A 86 29.367 39.861 32.495 1.00 36.39 C -ATOM 682 OH TYR A 86 29.399 38.722 33.226 1.00 37.15 O -ATOM 683 N ASN A 87 27.602 46.438 30.135 1.00 40.48 N -ATOM 684 CA ASN A 87 27.521 47.776 29.635 1.00 41.69 C -ATOM 685 C ASN A 87 28.233 47.879 28.304 1.00 41.16 C -ATOM 686 O ASN A 87 29.045 48.764 28.102 1.00 40.90 O -ATOM 687 CB ASN A 87 28.077 48.756 30.681 1.00 42.24 C -ATOM 688 CG ASN A 87 27.753 50.198 30.341 1.00 45.70 C -ATOM 689 OD1 ASN A 87 26.632 50.509 29.937 1.00 47.60 O -ATOM 690 ND2 ASN A 87 28.747 51.084 30.471 1.00 50.56 N -ATOM 691 N THR A 88 27.917 46.959 27.397 1.00 41.01 N -ATOM 692 CA THR A 88 28.669 46.843 26.136 1.00 40.99 C -ATOM 693 C THR A 88 27.734 46.794 24.913 1.00 41.79 C -ATOM 694 O THR A 88 27.285 45.731 24.559 1.00 42.36 O -ATOM 695 CB THR A 88 29.582 45.601 26.176 1.00 40.40 C -ATOM 696 OG1 THR A 88 30.292 45.483 24.942 1.00 39.62 O -ATOM 697 CG2 THR A 88 28.788 44.322 26.475 1.00 37.33 C -ATOM 698 N PRO A 89 27.477 47.949 24.240 1.00 42.87 N -ATOM 699 CA PRO A 89 26.475 48.029 23.175 1.00 42.92 C -ATOM 700 C PRO A 89 27.048 47.652 21.818 1.00 42.71 C -ATOM 701 O PRO A 89 27.159 48.494 20.931 1.00 43.54 O -ATOM 702 CB PRO A 89 26.077 49.497 23.213 1.00 43.23 C -ATOM 703 CG PRO A 89 27.313 50.198 23.531 1.00 42.90 C -ATOM 704 CD PRO A 89 28.153 49.256 24.381 1.00 43.30 C -ATOM 705 N PHE A 90 27.435 46.382 21.702 1.00 42.23 N -ATOM 706 CA PHE A 90 28.006 45.784 20.511 1.00 40.96 C -ATOM 707 C PHE A 90 27.554 44.344 20.512 1.00 40.81 C -ATOM 708 O PHE A 90 27.402 43.738 21.563 1.00 40.86 O -ATOM 709 CB PHE A 90 29.544 45.844 20.544 1.00 41.64 C -ATOM 710 CG PHE A 90 30.211 45.194 19.374 1.00 39.31 C -ATOM 711 CD1 PHE A 90 30.390 45.887 18.196 1.00 41.39 C -ATOM 712 CD2 PHE A 90 30.613 43.895 19.436 1.00 40.36 C -ATOM 713 CE1 PHE A 90 30.970 45.283 17.108 1.00 41.19 C -ATOM 714 CE2 PHE A 90 31.220 43.289 18.360 1.00 41.53 C -ATOM 715 CZ PHE A 90 31.399 43.994 17.191 1.00 41.33 C -ATOM 716 N PHE A 91 27.314 43.799 19.329 1.00 40.38 N -ATOM 717 CA PHE A 91 27.148 42.378 19.185 1.00 39.89 C -ATOM 718 C PHE A 91 27.535 42.052 17.760 1.00 39.43 C -ATOM 719 O PHE A 91 27.210 42.799 16.859 1.00 37.45 O -ATOM 720 CB PHE A 91 25.728 41.911 19.538 1.00 40.12 C -ATOM 721 CG PHE A 91 25.538 40.465 19.296 1.00 40.51 C -ATOM 722 CD1 PHE A 91 26.157 39.543 20.110 1.00 37.59 C -ATOM 723 CD2 PHE A 91 24.825 40.013 18.204 1.00 40.28 C -ATOM 724 CE1 PHE A 91 26.030 38.196 19.871 1.00 38.41 C -ATOM 725 CE2 PHE A 91 24.738 38.632 17.940 1.00 41.33 C -ATOM 726 CZ PHE A 91 25.347 37.732 18.783 1.00 37.88 C -ATOM 727 N SER A 92 28.323 40.992 17.567 1.00 40.15 N -ATOM 728 CA SER A 92 28.506 40.450 16.224 1.00 40.35 C -ATOM 729 C SER A 92 28.317 38.962 16.239 1.00 40.78 C -ATOM 730 O SER A 92 28.532 38.336 17.245 1.00 40.67 O -ATOM 731 CB SER A 92 29.862 40.833 15.625 1.00 40.06 C -ATOM 732 OG SER A 92 30.932 40.135 16.210 1.00 39.68 O -ATOM 733 N ASP A 93 27.897 38.412 15.107 1.00 42.29 N -ATOM 734 CA ASP A 93 27.812 36.964 14.894 1.00 43.85 C -ATOM 735 C ASP A 93 28.109 36.680 13.401 1.00 44.67 C -ATOM 736 O ASP A 93 28.633 37.538 12.687 1.00 44.06 O -ATOM 737 CB ASP A 93 26.422 36.453 15.338 1.00 44.12 C -ATOM 738 CG ASP A 93 26.386 34.940 15.730 1.00 45.53 C -ATOM 739 OD1 ASP A 93 26.963 34.053 15.048 1.00 47.21 O -ATOM 740 OD2 ASP A 93 25.689 34.616 16.710 1.00 47.08 O -ATOM 741 N HIS A 94 27.757 35.475 12.963 1.00 46.43 N -ATOM 742 CA HIS A 94 28.089 34.926 11.666 1.00 48.15 C -ATOM 743 C HIS A 94 26.819 34.573 10.919 1.00 50.60 C -ATOM 744 O HIS A 94 25.743 34.497 11.533 1.00 50.96 O -ATOM 745 CB HIS A 94 28.843 33.599 11.884 1.00 47.38 C -ATOM 746 CG HIS A 94 29.996 33.684 12.834 1.00 45.13 C -ATOM 747 ND1 HIS A 94 29.847 33.531 14.191 1.00 43.02 N -ATOM 748 CD2 HIS A 94 31.324 33.846 12.618 1.00 43.86 C -ATOM 749 CE1 HIS A 94 31.030 33.631 14.776 1.00 43.52 C -ATOM 750 NE2 HIS A 94 31.943 33.836 13.845 1.00 41.11 N -ATOM 751 N ALEU A 95 26.933 34.319 9.613 0.50 52.25 N -ATOM 752 N BLEU A 95 26.936 34.305 9.617 0.50 52.29 N -ATOM 753 CA ALEU A 95 25.778 33.814 8.819 0.50 53.58 C -ATOM 754 CA BLEU A 95 25.773 33.842 8.814 0.50 53.66 C -ATOM 755 C ALEU A 95 25.323 32.373 9.136 0.50 54.88 C -ATOM 756 C BLEU A 95 25.322 32.369 9.049 0.50 54.93 C -ATOM 757 O ALEU A 95 24.120 32.131 9.337 0.50 54.83 O -ATOM 758 O BLEU A 95 24.113 32.104 9.120 0.50 54.98 O -ATOM 759 CB ALEU A 95 26.004 33.977 7.310 0.50 53.39 C -ATOM 760 CB BLEU A 95 25.973 34.157 7.320 0.50 53.50 C -ATOM 761 CG ALEU A 95 25.486 35.329 6.803 0.50 53.52 C -ATOM 762 CG BLEU A 95 26.084 35.670 7.028 0.50 53.64 C -ATOM 763 CD1ALEU A 95 26.543 36.444 6.982 0.50 53.15 C -ATOM 764 CD1BLEU A 95 26.018 35.935 5.539 0.50 53.39 C -ATOM 765 CD2ALEU A 95 25.056 35.183 5.371 0.50 52.63 C -ATOM 766 CD2BLEU A 95 25.005 36.496 7.736 0.50 52.14 C -ATOM 767 N SER A 96 26.257 31.428 9.204 1.00 56.28 N -ATOM 768 CA SER A 96 25.885 30.026 9.527 1.00 58.51 C -ATOM 769 C SER A 96 26.622 29.380 10.730 1.00 59.80 C -ATOM 770 O SER A 96 27.668 29.871 11.159 1.00 61.03 O -ATOM 771 CB SER A 96 26.006 29.160 8.261 1.00 59.24 C -ATOM 772 OG SER A 96 24.925 29.429 7.333 1.00 62.39 O -ATOM 773 N PHE A 97 26.024 28.316 11.289 1.00 60.90 N -ATOM 774 CA PHE A 97 26.670 27.367 12.247 1.00 61.33 C -ATOM 775 C PHE A 97 26.991 27.966 13.611 1.00 61.57 C -ATOM 776 O PHE A 97 26.939 27.253 14.636 1.00 62.24 O -ATOM 777 CB PHE A 97 27.933 26.679 11.650 1.00 61.25 C -ATOM 778 N LEU A 107 28.097 20.542 5.087 1.00 65.40 N -ATOM 779 CA LEU A 107 27.453 20.085 3.850 1.00 65.32 C -ATOM 780 C LEU A 107 27.202 21.259 2.861 1.00 65.14 C -ATOM 781 O LEU A 107 28.152 21.942 2.439 1.00 65.37 O -ATOM 782 N LEU A 108 25.920 21.490 2.532 1.00 64.25 N -ATOM 783 CA LEU A 108 25.473 22.415 1.466 1.00 62.97 C -ATOM 784 C LEU A 108 26.202 23.761 1.221 1.00 61.64 C -ATOM 785 O LEU A 108 26.620 24.414 2.185 1.00 61.87 O -ATOM 786 N PRO A 109 26.355 24.168 -0.073 1.00 59.85 N -ATOM 787 CA PRO A 109 26.851 25.506 -0.436 1.00 58.70 C -ATOM 788 C PRO A 109 26.086 26.687 0.206 1.00 57.45 C -ATOM 789 O PRO A 109 24.905 26.552 0.551 1.00 57.67 O -ATOM 790 CB PRO A 109 26.674 25.536 -1.966 1.00 58.89 C -ATOM 791 CG PRO A 109 26.759 24.099 -2.397 1.00 59.27 C -ATOM 792 CD PRO A 109 26.094 23.345 -1.280 1.00 59.92 C -HETATM 793 N AMSE A 110 26.778 27.814 0.304 0.50 56.61 N -HETATM 794 N BMSE A 110 26.766 27.816 0.455 0.50 56.78 N -HETATM 795 CA AMSE A 110 26.205 29.065 0.768 0.50 55.63 C -HETATM 796 CA BMSE A 110 26.085 29.083 0.852 0.50 55.86 C -HETATM 797 C AMSE A 110 26.022 29.913 -0.491 0.50 53.72 C -HETATM 798 C BMSE A 110 25.993 29.873 -0.454 0.50 53.86 C -HETATM 799 O AMSE A 110 26.997 30.451 -1.001 0.50 53.79 O -HETATM 800 O BMSE A 110 27.014 30.324 -0.963 0.50 53.87 O -HETATM 801 CB AMSE A 110 27.168 29.721 1.769 0.50 56.19 C -HETATM 802 CB BMSE A 110 26.860 29.895 1.932 0.50 56.64 C -HETATM 803 CG AMSE A 110 27.594 28.780 2.913 0.50 57.47 C -HETATM 804 CG BMSE A 110 26.070 30.243 3.259 0.50 58.10 C -HETATM 805 SE AMSE A 110 26.127 28.350 4.146 0.37 62.30 SE -HETATM 806 SE BMSE A 110 24.785 31.779 3.324 0.38 62.97 SE -HETATM 807 CE AMSE A 110 25.181 26.874 3.285 0.50 57.62 C -HETATM 808 CE BMSE A 110 23.878 31.400 5.001 0.50 58.70 C -ATOM 809 N PRO A 111 24.785 29.985 -1.036 1.00 51.78 N -ATOM 810 CA PRO A 111 24.602 30.746 -2.263 1.00 49.12 C -ATOM 811 C PRO A 111 24.553 32.233 -1.989 1.00 45.97 C -ATOM 812 O PRO A 111 23.877 32.698 -1.061 1.00 44.81 O -ATOM 813 CB PRO A 111 23.268 30.232 -2.812 1.00 49.31 C -ATOM 814 CG PRO A 111 22.530 29.785 -1.652 1.00 50.64 C -ATOM 815 CD PRO A 111 23.516 29.392 -0.586 1.00 51.50 C -ATOM 816 N PHE A 112 25.323 32.964 -2.775 1.00 42.71 N -ATOM 817 CA PHE A 112 25.310 34.409 -2.746 1.00 40.53 C -ATOM 818 C PHE A 112 24.300 34.883 -3.810 1.00 38.96 C -ATOM 819 O PHE A 112 24.653 35.202 -4.932 1.00 37.81 O -ATOM 820 CB PHE A 112 26.723 34.967 -2.984 1.00 40.54 C -ATOM 821 CG PHE A 112 27.806 34.386 -2.074 1.00 39.45 C -ATOM 822 CD1 PHE A 112 27.545 33.992 -0.790 1.00 40.51 C -ATOM 823 CD2 PHE A 112 29.096 34.292 -2.515 1.00 39.68 C -ATOM 824 CE1 PHE A 112 28.537 33.492 -0.009 1.00 40.25 C -ATOM 825 CE2 PHE A 112 30.074 33.817 -1.721 1.00 39.34 C -ATOM 826 CZ PHE A 112 29.793 33.411 -0.484 1.00 39.52 C -ATOM 827 N THR A 113 23.020 34.836 -3.438 1.00 37.96 N -ATOM 828 CA THR A 113 21.905 35.223 -4.285 1.00 36.81 C -ATOM 829 C THR A 113 21.164 36.365 -3.596 1.00 36.75 C -ATOM 830 O THR A 113 21.328 36.594 -2.409 1.00 36.70 O -ATOM 831 CB THR A 113 20.956 34.045 -4.485 1.00 36.57 C -ATOM 832 OG1 THR A 113 20.379 33.699 -3.238 1.00 34.84 O -ATOM 833 CG2 THR A 113 21.690 32.838 -5.029 1.00 35.56 C -ATOM 834 N ASP A 114 20.356 37.098 -4.338 1.00 37.07 N -ATOM 835 CA ASP A 114 19.513 38.128 -3.744 1.00 37.49 C -ATOM 836 C ASP A 114 18.489 37.563 -2.735 1.00 37.71 C -ATOM 837 O ASP A 114 18.093 38.214 -1.772 1.00 37.48 O -ATOM 838 CB ASP A 114 18.769 38.856 -4.860 1.00 38.30 C -ATOM 839 CG ASP A 114 18.018 40.087 -4.369 1.00 37.82 C -ATOM 840 OD1 ASP A 114 18.671 41.029 -3.843 1.00 39.35 O -ATOM 841 OD2 ASP A 114 16.786 40.104 -4.545 1.00 34.90 O -ATOM 842 N GLU A 115 18.044 36.350 -2.980 1.00 37.80 N -ATOM 843 CA GLU A 115 17.136 35.704 -2.086 1.00 37.99 C -ATOM 844 C GLU A 115 17.798 35.499 -0.729 1.00 37.14 C -ATOM 845 O GLU A 115 17.144 35.585 0.271 1.00 37.63 O -ATOM 846 CB GLU A 115 16.723 34.382 -2.706 1.00 38.76 C -ATOM 847 CG GLU A 115 15.676 33.618 -1.941 1.00 42.76 C -ATOM 848 CD GLU A 115 15.803 32.114 -2.140 1.00 48.01 C -ATOM 849 OE1 GLU A 115 15.522 31.643 -3.268 1.00 50.27 O -ATOM 850 OE2 GLU A 115 16.188 31.419 -1.155 1.00 54.00 O -ATOM 851 N ALA A 116 19.099 35.237 -0.688 1.00 36.45 N -ATOM 852 CA ALA A 116 19.786 34.982 0.568 1.00 35.46 C -ATOM 853 C ALA A 116 20.091 36.310 1.232 1.00 35.52 C -ATOM 854 O ALA A 116 20.012 36.386 2.446 1.00 35.77 O -ATOM 855 CB ALA A 116 21.088 34.215 0.340 1.00 35.78 C -ATOM 856 N VAL A 117 20.470 37.333 0.438 1.00 35.01 N -ATOM 857 CA VAL A 117 20.677 38.710 0.920 1.00 34.16 C -ATOM 858 C VAL A 117 19.436 39.213 1.633 1.00 34.41 C -ATOM 859 O VAL A 117 19.540 39.701 2.756 1.00 34.93 O -ATOM 860 CB VAL A 117 21.052 39.714 -0.205 1.00 33.81 C -ATOM 861 CG1 VAL A 117 20.989 41.159 0.282 1.00 32.62 C -ATOM 862 CG2 VAL A 117 22.450 39.428 -0.747 1.00 32.78 C -ATOM 863 N LYS A 118 18.276 39.087 1.001 1.00 34.81 N -ATOM 864 CA LYS A 118 17.005 39.612 1.562 1.00 34.89 C -ATOM 865 C LYS A 118 16.576 38.857 2.815 1.00 35.16 C -ATOM 866 O LYS A 118 16.216 39.467 3.817 1.00 35.53 O -ATOM 867 CB LYS A 118 15.889 39.617 0.519 1.00 34.28 C -ATOM 868 CG LYS A 118 16.195 40.501 -0.702 1.00 35.01 C -ATOM 869 CD LYS A 118 15.915 41.989 -0.509 1.00 34.56 C -ATOM 870 CE LYS A 118 16.186 42.866 -1.771 1.00 33.15 C -ATOM 871 NZ LYS A 118 17.641 43.030 -2.092 1.00 33.52 N -ATOM 872 N HIS A 119 16.633 37.530 2.752 1.00 36.40 N -ATOM 873 CA HIS A 119 16.497 36.632 3.933 1.00 36.65 C -ATOM 874 C HIS A 119 17.410 36.988 5.093 1.00 36.87 C -ATOM 875 O HIS A 119 16.944 37.164 6.191 1.00 38.57 O -ATOM 876 CB HIS A 119 16.731 35.161 3.527 1.00 37.41 C -ATOM 877 CG HIS A 119 16.483 34.179 4.628 1.00 37.51 C -ATOM 878 ND1 HIS A 119 15.216 33.839 5.044 1.00 39.47 N -ATOM 879 CD2 HIS A 119 17.342 33.496 5.428 1.00 37.50 C -ATOM 880 CE1 HIS A 119 15.305 32.983 6.049 1.00 38.68 C -ATOM 881 NE2 HIS A 119 16.583 32.764 6.305 1.00 37.96 N -ATOM 882 N THR A 120 18.706 37.106 4.869 1.00 37.12 N -ATOM 883 CA THR A 120 19.646 37.376 5.964 1.00 37.30 C -ATOM 884 C THR A 120 19.506 38.765 6.535 1.00 37.12 C -ATOM 885 O THR A 120 19.611 38.949 7.728 1.00 37.41 O -ATOM 886 CB THR A 120 21.083 37.191 5.492 1.00 37.27 C -ATOM 887 OG1 THR A 120 21.232 35.846 5.040 1.00 38.87 O -ATOM 888 CG2 THR A 120 22.102 37.498 6.610 1.00 37.12 C -ATOM 889 N ALA A 121 19.290 39.743 5.658 1.00 37.11 N -ATOM 890 CA ALA A 121 19.144 41.132 6.040 1.00 36.32 C -ATOM 891 C ALA A 121 17.928 41.286 6.964 1.00 35.71 C -ATOM 892 O ALA A 121 17.995 41.958 7.969 1.00 35.16 O -ATOM 893 CB ALA A 121 19.007 41.990 4.787 1.00 35.92 C -ATOM 894 N ALA A 122 16.817 40.639 6.599 1.00 36.01 N -ATOM 895 CA ALA A 122 15.586 40.650 7.356 1.00 35.05 C -ATOM 896 C ALA A 122 15.733 40.054 8.728 1.00 35.28 C -ATOM 897 O ALA A 122 14.989 40.440 9.616 1.00 36.95 O -ATOM 898 CB ALA A 122 14.488 39.889 6.594 1.00 34.81 C -ATOM 899 N ARG A 123 16.638 39.089 8.919 1.00 35.21 N -ATOM 900 CA ARG A 123 16.787 38.468 10.229 1.00 34.56 C -ATOM 901 C ARG A 123 17.641 39.330 11.118 1.00 33.63 C -ATOM 902 O ARG A 123 17.447 39.374 12.324 1.00 32.18 O -ATOM 903 CB ARG A 123 17.383 37.061 10.129 1.00 34.85 C -ATOM 904 CG ARG A 123 16.441 36.011 9.551 1.00 35.91 C -ATOM 905 CD ARG A 123 17.221 34.741 9.131 1.00 36.49 C -ATOM 906 NE ARG A 123 17.847 34.061 10.277 1.00 36.91 N -ATOM 907 CZ ARG A 123 17.246 33.125 10.999 1.00 36.66 C -ATOM 908 NH1 ARG A 123 16.026 32.745 10.706 1.00 36.08 N -ATOM 909 NH2 ARG A 123 17.874 32.565 12.020 1.00 38.97 N -ATOM 910 N ILE A 124 18.642 39.957 10.498 1.00 33.91 N -ATOM 911 CA ILE A 124 19.517 40.917 11.153 1.00 33.34 C -ATOM 912 C ILE A 124 18.729 42.135 11.646 1.00 35.37 C -ATOM 913 O ILE A 124 18.987 42.631 12.734 1.00 35.31 O -ATOM 914 CB ILE A 124 20.638 41.423 10.233 1.00 32.14 C -ATOM 915 CG1 ILE A 124 21.616 40.295 9.908 1.00 31.09 C -ATOM 916 CG2 ILE A 124 21.328 42.541 10.940 1.00 30.30 C -ATOM 917 CD1 ILE A 124 22.638 40.622 8.787 1.00 32.08 C -ATOM 918 N ARG A 125 17.761 42.612 10.858 1.00 37.96 N -ATOM 919 CA ARG A 125 16.850 43.689 11.307 1.00 39.18 C -ATOM 920 C ARG A 125 15.972 43.292 12.488 1.00 40.96 C -ATOM 921 O ARG A 125 15.592 44.150 13.286 1.00 42.22 O -ATOM 922 CB ARG A 125 15.987 44.205 10.148 1.00 38.93 C -ATOM 923 CG ARG A 125 16.785 44.916 9.067 1.00 38.16 C -ATOM 924 CD ARG A 125 15.876 45.796 8.215 1.00 37.85 C -ATOM 925 NE ARG A 125 14.974 44.955 7.444 1.00 36.38 N -ATOM 926 CZ ARG A 125 15.223 44.489 6.221 1.00 35.92 C -ATOM 927 NH1 ARG A 125 16.329 44.777 5.582 1.00 39.09 N -ATOM 928 NH2 ARG A 125 14.355 43.706 5.621 1.00 38.90 N -ATOM 929 N GLU A 126 15.611 42.013 12.582 1.00 42.63 N -ATOM 930 CA GLU A 126 14.876 41.487 13.753 1.00 43.38 C -ATOM 931 C GLU A 126 15.737 41.415 14.991 1.00 41.57 C -ATOM 932 O GLU A 126 15.271 41.690 16.082 1.00 40.75 O -ATOM 933 CB GLU A 126 14.389 40.060 13.512 1.00 43.94 C -ATOM 934 CG GLU A 126 13.239 39.904 12.523 1.00 47.48 C -ATOM 935 CD GLU A 126 12.729 38.449 12.435 1.00 47.67 C -ATOM 936 OE1 GLU A 126 12.464 37.855 13.533 1.00 52.14 O -ATOM 937 OE2 GLU A 126 12.594 37.942 11.271 1.00 53.14 O -ATOM 938 N VAL A 127 16.983 40.984 14.814 1.00 41.36 N -ATOM 939 CA VAL A 127 17.936 40.900 15.913 1.00 40.61 C -ATOM 940 C VAL A 127 18.260 42.292 16.429 1.00 41.38 C -ATOM 941 O VAL A 127 18.280 42.511 17.634 1.00 42.32 O -ATOM 942 CB VAL A 127 19.241 40.150 15.535 1.00 40.50 C -ATOM 943 CG1 VAL A 127 20.243 40.279 16.657 1.00 37.60 C -ATOM 944 CG2 VAL A 127 18.950 38.678 15.233 1.00 38.73 C -ATOM 945 N GLN A 128 18.494 43.230 15.521 1.00 41.79 N -ATOM 946 CA GLN A 128 18.661 44.639 15.883 1.00 41.73 C -ATOM 947 C GLN A 128 17.468 45.210 16.672 1.00 43.12 C -ATOM 948 O GLN A 128 17.684 45.866 17.689 1.00 44.15 O -ATOM 949 CB GLN A 128 19.020 45.491 14.650 1.00 41.28 C -ATOM 950 CG GLN A 128 20.475 45.280 14.303 1.00 40.87 C -ATOM 951 CD GLN A 128 21.001 45.931 13.035 1.00 40.70 C -ATOM 952 OE1 GLN A 128 22.223 46.052 12.866 1.00 38.68 O -ATOM 953 NE2 GLN A 128 20.120 46.298 12.137 1.00 36.42 N -ATOM 954 N ASP A 129 16.223 44.943 16.254 1.00 43.52 N -ATOM 955 CA ASP A 129 15.039 45.434 16.974 1.00 43.78 C -ATOM 956 C ASP A 129 14.881 44.896 18.378 1.00 43.52 C -ATOM 957 O ASP A 129 14.378 45.611 19.258 1.00 43.30 O -ATOM 958 CB ASP A 129 13.774 45.061 16.220 1.00 44.03 C -ATOM 959 CG ASP A 129 13.659 45.788 14.906 1.00 46.82 C -ATOM 960 OD1 ASP A 129 14.571 46.605 14.632 1.00 49.72 O -ATOM 961 OD2 ASP A 129 12.685 45.536 14.134 1.00 48.12 O -ATOM 962 N PHE A 130 15.242 43.621 18.552 1.00 42.88 N -ATOM 963 CA PHE A 130 15.127 42.936 19.823 1.00 42.81 C -ATOM 964 C PHE A 130 16.192 43.453 20.757 1.00 42.55 C -ATOM 965 O PHE A 130 15.877 43.804 21.893 1.00 42.95 O -ATOM 966 CB PHE A 130 15.276 41.415 19.652 1.00 43.53 C -ATOM 967 CG PHE A 130 15.160 40.614 20.953 1.00 43.79 C -ATOM 968 CD1 PHE A 130 16.141 40.680 21.936 1.00 44.36 C -ATOM 969 CD2 PHE A 130 14.094 39.760 21.164 1.00 45.54 C -ATOM 970 CE1 PHE A 130 16.038 39.956 23.101 1.00 43.49 C -ATOM 971 CE2 PHE A 130 13.996 39.029 22.337 1.00 45.59 C -ATOM 972 CZ PHE A 130 14.973 39.139 23.305 1.00 44.29 C -ATOM 973 N LEU A 131 17.446 43.475 20.296 1.00 41.77 N -ATOM 974 CA LEU A 131 18.576 43.877 21.138 1.00 41.64 C -ATOM 975 C LEU A 131 18.633 45.397 21.356 1.00 42.10 C -ATOM 976 O LEU A 131 19.252 45.874 22.307 1.00 42.30 O -ATOM 977 CB LEU A 131 19.903 43.397 20.535 1.00 41.56 C -ATOM 978 CG LEU A 131 20.256 41.911 20.440 1.00 40.49 C -ATOM 979 CD1 LEU A 131 21.696 41.779 19.833 1.00 36.28 C -ATOM 980 CD2 LEU A 131 20.152 41.226 21.803 1.00 35.17 C -ATOM 981 N GLU A 132 17.980 46.133 20.466 1.00 42.90 N -ATOM 982 CA GLU A 132 17.928 47.617 20.451 1.00 43.51 C -ATOM 983 C GLU A 132 19.262 48.289 20.190 1.00 42.86 C -ATOM 984 O GLU A 132 19.472 49.453 20.530 1.00 42.65 O -ATOM 985 CB GLU A 132 17.257 48.183 21.703 1.00 43.80 C -ATOM 986 CG GLU A 132 15.926 47.507 21.971 1.00 45.42 C -ATOM 987 CD GLU A 132 15.171 48.091 23.126 1.00 46.09 C -ATOM 988 OE1 GLU A 132 14.423 49.061 22.883 1.00 49.73 O -ATOM 989 OE2 GLU A 132 15.297 47.546 24.247 1.00 44.84 O -ATOM 990 N ILE A 133 20.148 47.535 19.557 1.00 42.79 N -ATOM 991 CA ILE A 133 21.417 48.031 19.124 1.00 41.28 C -ATOM 992 C ILE A 133 21.613 47.561 17.704 1.00 41.65 C -ATOM 993 O ILE A 133 21.001 46.613 17.251 1.00 41.02 O -ATOM 994 CB ILE A 133 22.567 47.531 20.032 1.00 41.60 C -ATOM 995 CG1 ILE A 133 22.734 46.004 19.984 1.00 40.97 C -ATOM 996 CG2 ILE A 133 22.322 47.975 21.437 1.00 39.98 C -ATOM 997 CD1 ILE A 133 24.147 45.529 20.253 1.00 41.69 C -ATOM 998 N GLN A 134 22.496 48.230 17.008 1.00 41.76 N -ATOM 999 CA GLN A 134 23.004 47.746 15.746 1.00 42.47 C -ATOM 1000 C GLN A 134 24.045 46.638 15.968 1.00 41.90 C -ATOM 1001 O GLN A 134 24.951 46.734 16.846 1.00 42.16 O -ATOM 1002 CB GLN A 134 23.584 48.943 14.957 1.00 43.26 C -ATOM 1003 CG GLN A 134 24.577 48.614 13.920 1.00 46.08 C -ATOM 1004 CD GLN A 134 24.998 49.812 13.137 1.00 50.65 C -ATOM 1005 OE1 GLN A 134 26.134 50.246 13.261 1.00 57.14 O -ATOM 1006 NE2 GLN A 134 24.107 50.338 12.290 1.00 53.10 N -ATOM 1007 N ILE A 135 23.940 45.605 15.136 1.00 41.13 N -ATOM 1008 CA ILE A 135 24.877 44.480 15.192 1.00 40.46 C -ATOM 1009 C ILE A 135 25.888 44.617 14.042 1.00 40.90 C -ATOM 1010 O ILE A 135 25.766 45.505 13.216 1.00 41.58 O -ATOM 1011 CB ILE A 135 24.127 43.077 15.319 1.00 40.00 C -ATOM 1012 CG1 ILE A 135 23.602 42.596 13.976 1.00 37.71 C -ATOM 1013 CG2 ILE A 135 22.957 43.199 16.328 1.00 36.33 C -ATOM 1014 CD1 ILE A 135 23.330 41.170 13.901 1.00 37.30 C -ATOM 1015 N SER A 136 26.939 43.814 14.088 1.00 41.10 N -ATOM 1016 CA SER A 136 27.902 43.666 13.014 1.00 41.09 C -ATOM 1017 C SER A 136 27.867 42.176 12.524 1.00 41.28 C -ATOM 1018 O SER A 136 27.508 41.256 13.285 1.00 42.02 O -ATOM 1019 CB SER A 136 29.298 44.074 13.511 1.00 41.35 C -ATOM 1020 OG SER A 136 29.497 45.497 13.486 1.00 41.39 O -ATOM 1021 N VAL A 137 28.190 41.935 11.255 1.00 40.42 N -ATOM 1022 CA VAL A 137 28.143 40.579 10.673 1.00 40.23 C -ATOM 1023 C VAL A 137 29.592 40.240 10.403 1.00 39.08 C -ATOM 1024 O VAL A 137 30.320 41.074 9.915 1.00 38.56 O -ATOM 1025 CB VAL A 137 27.246 40.553 9.379 1.00 39.81 C -ATOM 1026 CG1 VAL A 137 27.560 39.383 8.466 1.00 42.23 C -ATOM 1027 CG2 VAL A 137 25.789 40.511 9.765 1.00 41.25 C -ATOM 1028 N GLU A 138 30.043 39.065 10.794 1.00 39.01 N -ATOM 1029 CA GLU A 138 31.423 38.699 10.498 1.00 39.59 C -ATOM 1030 C GLU A 138 31.515 37.874 9.208 1.00 40.23 C -ATOM 1031 O GLU A 138 30.758 36.950 9.020 1.00 40.27 O -ATOM 1032 CB GLU A 138 32.057 37.934 11.643 1.00 39.36 C -ATOM 1033 CG GLU A 138 33.602 37.833 11.561 1.00 38.81 C -ATOM 1034 CD GLU A 138 34.169 36.684 12.401 1.00 41.02 C -ATOM 1035 OE1 GLU A 138 33.376 35.898 12.973 1.00 45.99 O -ATOM 1036 OE2 GLU A 138 35.411 36.523 12.505 1.00 42.13 O -ATOM 1037 N ASN A 139 32.459 38.222 8.322 1.00 41.50 N -ATOM 1038 CA ASN A 139 32.788 37.382 7.174 1.00 41.27 C -ATOM 1039 C ASN A 139 33.466 36.106 7.647 1.00 42.00 C -ATOM 1040 O ASN A 139 34.410 36.157 8.419 1.00 43.67 O -ATOM 1041 CB ASN A 139 33.670 38.124 6.150 1.00 41.43 C -ATOM 1042 CG ASN A 139 34.982 38.608 6.739 1.00 40.34 C -ATOM 1043 OD1 ASN A 139 34.982 39.444 7.621 1.00 41.36 O -ATOM 1044 ND2 ASN A 139 36.086 38.098 6.251 1.00 36.05 N -ATOM 1045 N THR A 140 32.987 34.968 7.158 1.00 42.24 N -ATOM 1046 CA THR A 140 33.552 33.676 7.477 1.00 42.85 C -ATOM 1047 C THR A 140 34.038 32.877 6.246 1.00 42.75 C -ATOM 1048 O THR A 140 33.643 33.147 5.105 1.00 42.51 O -ATOM 1049 CB THR A 140 32.533 32.803 8.302 1.00 43.01 C -ATOM 1050 OG1 THR A 140 31.225 32.955 7.760 1.00 43.24 O -ATOM 1051 CG2 THR A 140 32.514 33.212 9.787 1.00 43.04 C -ATOM 1052 N SER A 141 34.928 31.916 6.521 1.00 42.55 N -ATOM 1053 CA SER A 141 35.278 30.848 5.612 1.00 42.70 C -ATOM 1054 C SER A 141 34.073 30.015 5.251 1.00 42.71 C -ATOM 1055 O SER A 141 33.251 29.704 6.114 1.00 42.56 O -ATOM 1056 CB SER A 141 36.247 29.921 6.309 1.00 43.31 C -ATOM 1057 OG SER A 141 37.393 30.638 6.688 1.00 45.66 O -ATOM 1058 N TYR A 142 33.958 29.636 3.982 1.00 42.67 N -ATOM 1059 CA TYR A 142 32.922 28.697 3.562 1.00 42.20 C -ATOM 1060 C TYR A 142 33.593 27.586 2.751 1.00 41.98 C -ATOM 1061 O TYR A 142 34.616 27.834 2.080 1.00 40.82 O -ATOM 1062 CB TYR A 142 31.781 29.409 2.806 1.00 42.20 C -ATOM 1063 CG TYR A 142 32.178 30.074 1.511 1.00 42.57 C -ATOM 1064 CD1 TYR A 142 32.759 31.341 1.494 1.00 42.18 C -ATOM 1065 CD2 TYR A 142 31.933 29.456 0.292 1.00 42.98 C -ATOM 1066 CE1 TYR A 142 33.114 31.956 0.291 1.00 42.17 C -ATOM 1067 CE2 TYR A 142 32.292 30.056 -0.904 1.00 42.17 C -ATOM 1068 CZ TYR A 142 32.887 31.295 -0.904 1.00 42.65 C -ATOM 1069 OH TYR A 142 33.236 31.872 -2.107 1.00 43.39 O -ATOM 1070 N TYR A 143 33.024 26.371 2.855 1.00 42.09 N -ATOM 1071 CA TYR A 143 33.593 25.139 2.253 1.00 41.90 C -ATOM 1072 C TYR A 143 33.247 24.996 0.788 1.00 41.44 C -ATOM 1073 O TYR A 143 34.112 24.655 -0.002 1.00 41.72 O -ATOM 1074 CB TYR A 143 33.169 23.855 3.011 1.00 41.49 C -ATOM 1075 N LEU A 144 31.995 25.250 0.421 1.00 41.00 N -ATOM 1076 CA LEU A 144 31.536 24.985 -0.932 1.00 40.70 C -ATOM 1077 C LEU A 144 30.878 26.251 -1.529 1.00 40.56 C -ATOM 1078 O LEU A 144 30.003 26.852 -0.921 1.00 41.43 O -ATOM 1079 CB LEU A 144 30.625 23.733 -0.943 1.00 40.57 C -ATOM 1080 N HIS A 145 31.345 26.687 -2.698 1.00 39.86 N -ATOM 1081 CA HIS A 145 30.748 27.817 -3.413 1.00 39.60 C -ATOM 1082 C HIS A 145 29.563 27.353 -4.264 1.00 39.30 C -ATOM 1083 O HIS A 145 29.688 26.417 -4.988 1.00 39.79 O -ATOM 1084 CB HIS A 145 31.817 28.468 -4.314 1.00 39.55 C -ATOM 1085 CG HIS A 145 31.430 29.820 -4.853 1.00 40.50 C -ATOM 1086 ND1 HIS A 145 31.712 30.994 -4.188 1.00 39.03 N -ATOM 1087 CD2 HIS A 145 30.786 30.179 -5.990 1.00 39.29 C -ATOM 1088 CE1 HIS A 145 31.253 32.013 -4.889 1.00 40.11 C -ATOM 1089 NE2 HIS A 145 30.680 31.545 -5.980 1.00 40.13 N -ATOM 1090 N SER A 146 28.415 28.008 -4.202 1.00 39.59 N -ATOM 1091 CA SER A 146 27.251 27.565 -4.969 1.00 39.32 C -ATOM 1092 C SER A 146 27.344 27.941 -6.419 1.00 39.04 C -ATOM 1093 O SER A 146 27.675 29.068 -6.726 1.00 39.77 O -ATOM 1094 CB SER A 146 25.989 28.199 -4.429 1.00 39.06 C -ATOM 1095 OG SER A 146 24.899 27.800 -5.224 1.00 39.37 O -ATOM 1096 N GLU A 147 27.010 26.999 -7.296 1.00 39.61 N -ATOM 1097 CA GLU A 147 26.815 27.251 -8.734 1.00 39.73 C -ATOM 1098 C GLU A 147 25.763 28.354 -8.960 1.00 38.90 C -ATOM 1099 O GLU A 147 25.820 29.023 -9.979 1.00 39.50 O -ATOM 1100 CB GLU A 147 26.340 25.973 -9.491 1.00 40.12 C -ATOM 1101 CG GLU A 147 27.336 24.779 -9.685 1.00 41.49 C -ATOM 1102 N THR A 148 24.804 28.524 -8.034 1.00 37.94 N -ATOM 1103 CA THR A 148 23.649 29.448 -8.214 1.00 36.59 C -ATOM 1104 C THR A 148 23.935 30.904 -7.844 1.00 36.98 C -ATOM 1105 O THR A 148 23.114 31.804 -8.080 1.00 37.67 O -ATOM 1106 CB THR A 148 22.412 29.004 -7.415 1.00 35.86 C -ATOM 1107 OG1 THR A 148 22.579 29.307 -6.034 1.00 32.74 O -ATOM 1108 CG2 THR A 148 22.167 27.538 -7.589 1.00 34.76 C -ATOM 1109 N SER A 149 25.118 31.150 -7.304 1.00 36.73 N -ATOM 1110 CA SER A 149 25.475 32.453 -6.845 1.00 36.08 C -ATOM 1111 C SER A 149 25.448 33.423 -8.019 1.00 36.25 C -ATOM 1112 O SER A 149 25.975 33.118 -9.093 1.00 36.14 O -ATOM 1113 CB SER A 149 26.868 32.430 -6.193 1.00 36.50 C -ATOM 1114 OG SER A 149 26.885 31.679 -4.984 1.00 35.76 O -ATOM 1115 N THR A 150 24.850 34.599 -7.786 1.00 36.04 N -ATOM 1116 CA THR A 150 24.871 35.729 -8.736 1.00 35.12 C -ATOM 1117 C THR A 150 25.857 36.844 -8.329 1.00 35.92 C -ATOM 1118 O THR A 150 26.036 37.823 -9.040 1.00 37.22 O -ATOM 1119 CB THR A 150 23.436 36.269 -8.960 1.00 34.86 C -ATOM 1120 OG1 THR A 150 22.816 36.633 -7.715 1.00 32.80 O -ATOM 1121 CG2 THR A 150 22.586 35.201 -9.639 1.00 31.10 C -HETATM 1122 N MSE A 151 26.528 36.692 -7.203 1.00 36.63 N -HETATM 1123 CA MSE A 151 27.445 37.736 -6.746 1.00 37.54 C -HETATM 1124 C MSE A 151 28.631 37.107 -6.019 1.00 37.01 C -HETATM 1125 O MSE A 151 28.619 35.898 -5.743 1.00 36.46 O -HETATM 1126 CB MSE A 151 26.705 38.806 -5.890 1.00 37.94 C -HETATM 1127 CG MSE A 151 26.089 38.324 -4.590 1.00 38.50 C -HETATM 1128 SE MSE A 151 24.935 39.662 -3.887 0.75 40.29 SE -HETATM 1129 CE MSE A 151 23.223 39.260 -4.711 1.00 32.26 C -ATOM 1130 N ASN A 152 29.684 37.887 -5.794 1.00 36.81 N -ATOM 1131 CA ASN A 152 30.858 37.352 -5.126 1.00 37.62 C -ATOM 1132 C ASN A 152 30.789 37.632 -3.615 1.00 38.13 C -ATOM 1133 O ASN A 152 29.843 38.302 -3.156 1.00 37.57 O -ATOM 1134 CB ASN A 152 32.139 37.873 -5.779 1.00 37.71 C -ATOM 1135 CG ASN A 152 32.369 39.319 -5.515 1.00 37.69 C -ATOM 1136 OD1 ASN A 152 31.831 39.885 -4.568 1.00 36.47 O -ATOM 1137 ND2 ASN A 152 33.176 39.942 -6.349 1.00 36.62 N -ATOM 1138 N GLU A 153 31.752 37.127 -2.822 1.00 38.56 N -ATOM 1139 CA GLU A 153 31.631 37.258 -1.349 1.00 38.92 C -ATOM 1140 C GLU A 153 31.553 38.685 -0.822 1.00 38.99 C -ATOM 1141 O GLU A 153 30.707 38.966 0.025 1.00 38.94 O -ATOM 1142 CB GLU A 153 32.714 36.483 -0.590 1.00 39.72 C -ATOM 1143 CG GLU A 153 32.386 36.262 0.926 1.00 40.24 C -ATOM 1144 CD GLU A 153 33.600 35.860 1.787 1.00 40.38 C -ATOM 1145 OE1 GLU A 153 34.610 35.411 1.209 1.00 41.47 O -ATOM 1146 OE2 GLU A 153 33.536 35.982 3.035 1.00 41.03 O -ATOM 1147 N VAL A 154 32.417 39.592 -1.284 1.00 38.98 N -ATOM 1148 CA VAL A 154 32.355 40.989 -0.797 1.00 39.08 C -ATOM 1149 C VAL A 154 31.082 41.742 -1.244 1.00 39.63 C -ATOM 1150 O VAL A 154 30.533 42.546 -0.493 1.00 40.66 O -ATOM 1151 CB VAL A 154 33.633 41.791 -1.130 1.00 38.40 C -ATOM 1152 CG1 VAL A 154 33.778 42.024 -2.601 1.00 35.83 C -ATOM 1153 CG2 VAL A 154 33.586 43.067 -0.362 1.00 37.70 C -ATOM 1154 N GLU A 155 30.575 41.437 -2.436 1.00 40.23 N -ATOM 1155 CA GLU A 155 29.225 41.911 -2.859 1.00 40.10 C -ATOM 1156 C GLU A 155 28.057 41.474 -1.968 1.00 39.68 C -ATOM 1157 O GLU A 155 27.083 42.226 -1.697 1.00 39.82 O -ATOM 1158 CB GLU A 155 28.949 41.468 -4.286 1.00 39.21 C -ATOM 1159 CG GLU A 155 29.742 42.230 -5.301 1.00 41.64 C -ATOM 1160 CD GLU A 155 29.641 41.689 -6.755 1.00 42.61 C -ATOM 1161 OE1 GLU A 155 29.339 40.489 -6.994 1.00 46.11 O -ATOM 1162 OE2 GLU A 155 29.873 42.501 -7.672 1.00 47.04 O -ATOM 1163 N PHE A 156 28.139 40.225 -1.559 1.00 39.54 N -ATOM 1164 CA PHE A 156 27.148 39.600 -0.719 1.00 39.24 C -ATOM 1165 C PHE A 156 27.137 40.260 0.659 1.00 39.30 C -ATOM 1166 O PHE A 156 26.100 40.682 1.116 1.00 40.24 O -ATOM 1167 CB PHE A 156 27.461 38.097 -0.640 1.00 38.76 C -ATOM 1168 CG PHE A 156 26.435 37.282 0.109 1.00 37.92 C -ATOM 1169 CD1 PHE A 156 25.151 37.166 -0.354 1.00 37.88 C -ATOM 1170 CD2 PHE A 156 26.773 36.616 1.257 1.00 37.80 C -ATOM 1171 CE1 PHE A 156 24.236 36.408 0.299 1.00 36.59 C -ATOM 1172 CE2 PHE A 156 25.855 35.888 1.925 1.00 38.01 C -ATOM 1173 CZ PHE A 156 24.580 35.781 1.430 1.00 38.46 C -ATOM 1174 N LEU A 157 28.291 40.299 1.313 1.00 39.41 N -ATOM 1175 CA LEU A 157 28.467 40.965 2.597 1.00 39.25 C -ATOM 1176 C LEU A 157 27.979 42.390 2.548 1.00 38.88 C -ATOM 1177 O LEU A 157 27.158 42.790 3.371 1.00 39.27 O -ATOM 1178 CB LEU A 157 29.960 40.980 3.006 1.00 39.96 C -ATOM 1179 CG LEU A 157 30.372 41.650 4.334 1.00 39.22 C -ATOM 1180 CD1 LEU A 157 29.694 41.000 5.547 1.00 37.64 C -ATOM 1181 CD2 LEU A 157 31.821 41.540 4.477 1.00 37.44 C -ATOM 1182 N ASN A 158 28.525 43.171 1.612 1.00 38.81 N -ATOM 1183 CA ASN A 158 28.115 44.570 1.404 1.00 38.13 C -ATOM 1184 C ASN A 158 26.636 44.721 1.276 1.00 37.15 C -ATOM 1185 O ASN A 158 26.076 45.627 1.887 1.00 37.14 O -ATOM 1186 CB ASN A 158 28.745 45.151 0.153 1.00 38.14 C -ATOM 1187 CG ASN A 158 30.148 45.523 0.365 1.00 39.71 C -ATOM 1188 OD1 ASN A 158 30.654 45.511 1.501 1.00 41.73 O -ATOM 1189 ND2 ASN A 158 30.815 45.881 -0.717 1.00 39.18 N -ATOM 1190 N ALA A 159 26.010 43.847 0.472 1.00 37.15 N -ATOM 1191 CA ALA A 159 24.560 43.875 0.267 1.00 36.56 C -ATOM 1192 C ALA A 159 23.768 43.569 1.522 1.00 37.20 C -ATOM 1193 O ALA A 159 22.730 44.164 1.763 1.00 38.17 O -ATOM 1194 CB ALA A 159 24.148 42.913 -0.823 1.00 36.67 C -ATOM 1195 N ILE A 160 24.200 42.586 2.299 1.00 36.68 N -ATOM 1196 CA ILE A 160 23.501 42.263 3.530 1.00 35.84 C -ATOM 1197 C ILE A 160 23.553 43.425 4.527 1.00 36.27 C -ATOM 1198 O ILE A 160 22.511 43.853 5.073 1.00 35.58 O -ATOM 1199 CB ILE A 160 24.017 40.950 4.138 1.00 35.65 C -ATOM 1200 CG1 ILE A 160 23.653 39.810 3.180 1.00 34.07 C -ATOM 1201 CG2 ILE A 160 23.427 40.737 5.529 1.00 34.62 C -ATOM 1202 CD1 ILE A 160 24.252 38.488 3.473 1.00 34.11 C -ATOM 1203 N VAL A 161 24.751 43.973 4.725 1.00 36.85 N -ATOM 1204 CA VAL A 161 24.941 44.979 5.745 1.00 37.19 C -ATOM 1205 C VAL A 161 24.332 46.330 5.334 1.00 38.44 C -ATOM 1206 O VAL A 161 23.975 47.126 6.179 1.00 39.76 O -ATOM 1207 CB VAL A 161 26.423 45.096 6.222 1.00 35.94 C -ATOM 1208 CG1 VAL A 161 27.012 43.694 6.554 1.00 35.67 C -ATOM 1209 CG2 VAL A 161 27.238 45.824 5.218 1.00 34.60 C -ATOM 1210 N GLN A 162 24.184 46.581 4.044 1.00 40.14 N -ATOM 1211 CA GLN A 162 23.537 47.791 3.582 1.00 40.36 C -ATOM 1212 C GLN A 162 22.042 47.675 3.660 1.00 40.61 C -ATOM 1213 O GLN A 162 21.362 48.680 3.931 1.00 39.88 O -ATOM 1214 CB GLN A 162 23.997 48.121 2.147 1.00 40.77 C -ATOM 1215 CG GLN A 162 25.391 48.796 2.118 1.00 42.32 C -ATOM 1216 CD GLN A 162 26.238 48.550 0.853 1.00 42.27 C -ATOM 1217 OE1 GLN A 162 25.740 48.384 -0.256 1.00 44.68 O -ATOM 1218 NE2 GLN A 162 27.531 48.523 1.045 1.00 44.22 N -ATOM 1219 N GLU A 163 21.509 46.470 3.417 1.00 41.45 N -ATOM 1220 CA GLU A 163 20.062 46.227 3.534 1.00 42.37 C -ATOM 1221 C GLU A 163 19.587 46.019 4.979 1.00 42.09 C -ATOM 1222 O GLU A 163 18.486 46.440 5.314 1.00 41.46 O -ATOM 1223 CB GLU A 163 19.578 45.113 2.592 1.00 42.57 C -ATOM 1224 CG GLU A 163 19.671 45.569 1.118 1.00 45.23 C -ATOM 1225 CD GLU A 163 19.284 44.520 0.114 1.00 45.45 C -ATOM 1226 OE1 GLU A 163 18.242 43.843 0.375 1.00 48.71 O -ATOM 1227 OE2 GLU A 163 19.999 44.420 -0.940 1.00 45.86 O -ATOM 1228 N ALA A 164 20.407 45.425 5.844 1.00 42.11 N -ATOM 1229 CA ALA A 164 20.098 45.425 7.287 1.00 41.68 C -ATOM 1230 C ALA A 164 20.542 46.747 8.006 1.00 42.08 C -ATOM 1231 O ALA A 164 20.081 47.039 9.101 1.00 43.01 O -ATOM 1232 CB ALA A 164 20.687 44.204 7.946 1.00 41.35 C -ATOM 1233 N ASN A 165 21.389 47.548 7.360 1.00 41.53 N -ATOM 1234 CA ASN A 165 22.023 48.759 7.944 1.00 40.93 C -ATOM 1235 C ASN A 165 22.716 48.467 9.248 1.00 39.76 C -ATOM 1236 O ASN A 165 22.386 49.010 10.322 1.00 39.37 O -ATOM 1237 CB ASN A 165 21.071 49.965 8.062 1.00 41.09 C -ATOM 1238 CG ASN A 165 21.796 51.268 8.538 1.00 42.44 C -ATOM 1239 OD1 ASN A 165 22.961 51.550 8.207 1.00 46.06 O -ATOM 1240 ND2 ASN A 165 21.077 52.060 9.323 1.00 45.69 N -ATOM 1241 N CYS A 166 23.694 47.591 9.126 1.00 37.62 N -ATOM 1242 CA CYS A 166 24.414 47.065 10.252 1.00 37.50 C -ATOM 1243 C CYS A 166 25.909 47.193 9.974 1.00 36.99 C -ATOM 1244 O CYS A 166 26.297 47.692 8.935 1.00 36.28 O -ATOM 1245 CB CYS A 166 23.986 45.615 10.505 1.00 38.04 C -ATOM 1246 SG CYS A 166 24.570 44.404 9.339 1.00 35.52 S -ATOM 1247 N GLY A 167 26.739 46.840 10.931 1.00 37.34 N -ATOM 1248 CA GLY A 167 28.193 46.950 10.743 1.00 37.33 C -ATOM 1249 C GLY A 167 28.796 45.694 10.176 1.00 38.21 C -ATOM 1250 O GLY A 167 28.099 44.692 10.017 1.00 38.24 O -ATOM 1251 N ILE A 168 30.105 45.769 9.901 1.00 38.71 N -ATOM 1252 CA ILE A 168 30.910 44.699 9.433 1.00 39.33 C -ATOM 1253 C ILE A 168 32.010 44.414 10.494 1.00 39.61 C -ATOM 1254 O ILE A 168 32.746 45.307 10.903 1.00 39.06 O -ATOM 1255 CB ILE A 168 31.646 45.034 8.071 1.00 38.52 C -ATOM 1256 CG1 ILE A 168 30.632 45.261 6.947 1.00 41.28 C -ATOM 1257 CG2 ILE A 168 32.515 43.890 7.695 1.00 37.00 C -ATOM 1258 CD1 ILE A 168 31.267 45.369 5.593 1.00 39.64 C -ATOM 1259 N HIS A 169 32.089 43.161 10.932 1.00 39.48 N -ATOM 1260 CA HIS A 169 33.150 42.688 11.813 1.00 39.16 C -ATOM 1261 C HIS A 169 34.033 42.026 10.783 1.00 39.62 C -ATOM 1262 O HIS A 169 33.665 40.996 10.263 1.00 39.40 O -ATOM 1263 CB HIS A 169 32.540 41.724 12.821 1.00 38.99 C -ATOM 1264 CG HIS A 169 33.520 40.929 13.623 1.00 40.12 C -ATOM 1265 ND1 HIS A 169 33.116 40.134 14.673 1.00 38.29 N -ATOM 1266 CD2 HIS A 169 34.868 40.777 13.524 1.00 39.26 C -ATOM 1267 CE1 HIS A 169 34.177 39.526 15.180 1.00 41.04 C -ATOM 1268 NE2 HIS A 169 35.249 39.900 14.502 1.00 39.04 N -ATOM 1269 N ALEU A 170 35.175 42.637 10.454 0.50 39.90 N -ATOM 1270 N BLEU A 170 35.192 42.629 10.501 0.50 40.05 N -ATOM 1271 CA ALEU A 170 36.060 42.116 9.392 0.50 39.86 C -ATOM 1272 CA BLEU A 170 36.114 42.120 9.475 0.50 40.12 C -ATOM 1273 C ALEU A 170 37.124 41.172 9.931 0.50 40.29 C -ATOM 1274 C BLEU A 170 37.085 41.117 10.045 0.50 40.44 C -ATOM 1275 O ALEU A 170 37.953 41.591 10.728 0.50 41.22 O -ATOM 1276 O BLEU A 170 37.796 41.425 10.994 0.50 41.38 O -ATOM 1277 CB ALEU A 170 36.716 43.262 8.588 0.50 39.25 C -ATOM 1278 CB BLEU A 170 36.885 43.267 8.800 0.50 39.56 C -ATOM 1279 CG ALEU A 170 37.320 42.885 7.220 0.50 38.42 C -ATOM 1280 CG BLEU A 170 37.248 43.074 7.315 0.50 38.69 C -ATOM 1281 CD1ALEU A 170 36.270 42.691 6.125 0.50 33.38 C -ATOM 1282 CD1BLEU A 170 36.971 44.324 6.601 0.50 37.56 C -ATOM 1283 CD2ALEU A 170 38.377 43.907 6.802 0.50 38.87 C -ATOM 1284 CD2BLEU A 170 38.715 42.672 7.085 0.50 36.56 C -ATOM 1285 N ASP A 171 37.109 39.908 9.477 1.00 40.55 N -ATOM 1286 CA ASP A 171 38.156 38.926 9.786 1.00 39.71 C -ATOM 1287 C ASP A 171 39.134 38.763 8.606 1.00 39.20 C -ATOM 1288 O ASP A 171 38.767 38.232 7.594 1.00 38.06 O -ATOM 1289 CB ASP A 171 37.556 37.559 10.146 1.00 40.86 C -ATOM 1290 CG ASP A 171 38.619 36.575 10.710 1.00 42.02 C -ATOM 1291 OD1 ASP A 171 39.643 36.370 10.057 1.00 45.79 O -ATOM 1292 OD2 ASP A 171 38.444 36.045 11.833 1.00 42.54 O -ATOM 1293 N AVAL A 172 40.381 39.196 8.809 0.50 39.14 N -ATOM 1294 N BVAL A 172 40.377 39.215 8.745 0.50 38.83 N -ATOM 1295 CA AVAL A 172 41.400 39.237 7.764 0.50 39.36 C -ATOM 1296 CA BVAL A 172 41.289 39.220 7.600 0.50 38.71 C -ATOM 1297 C AVAL A 172 41.727 37.842 7.270 0.50 39.46 C -ATOM 1298 C BVAL A 172 41.812 37.832 7.254 0.50 39.19 C -ATOM 1299 O AVAL A 172 41.960 37.634 6.072 0.50 39.83 O -ATOM 1300 O BVAL A 172 42.272 37.613 6.119 0.50 39.52 O -ATOM 1301 CB AVAL A 172 42.715 39.908 8.265 0.50 39.15 C -ATOM 1302 CB BVAL A 172 42.453 40.240 7.762 0.50 38.45 C -ATOM 1303 CG1AVAL A 172 43.682 40.058 7.144 0.50 38.56 C -ATOM 1304 CG1BVAL A 172 41.879 41.663 7.740 0.50 36.55 C -ATOM 1305 CG2AVAL A 172 42.433 41.271 8.846 0.50 39.66 C -ATOM 1306 CG2BVAL A 172 43.258 39.966 9.028 0.50 37.34 C -ATOM 1307 N ASN A 173 41.736 36.886 8.195 1.00 39.63 N -ATOM 1308 CA ASN A 173 42.196 35.527 7.906 1.00 39.94 C -ATOM 1309 C ASN A 173 41.195 34.860 7.020 1.00 39.57 C -ATOM 1310 O ASN A 173 41.564 34.141 6.096 1.00 40.24 O -ATOM 1311 CB ASN A 173 42.409 34.659 9.146 1.00 39.98 C -ATOM 1312 CG ASN A 173 43.586 35.097 9.953 1.00 43.17 C -ATOM 1313 OD1 ASN A 173 43.513 36.124 10.629 1.00 48.08 O -ATOM 1314 ND2 ASN A 173 44.702 34.339 9.884 1.00 43.96 N -ATOM 1315 N ASN A 174 39.921 35.102 7.298 1.00 39.22 N -ATOM 1316 CA ASN A 174 38.825 34.478 6.530 1.00 38.26 C -ATOM 1317 C ASN A 174 38.799 34.946 5.069 1.00 37.14 C -ATOM 1318 O ASN A 174 38.402 34.187 4.217 1.00 37.26 O -ATOM 1319 CB ASN A 174 37.480 34.703 7.218 1.00 37.96 C -ATOM 1320 CG ASN A 174 37.368 34.013 8.595 1.00 37.85 C -ATOM 1321 OD1 ASN A 174 38.143 33.141 8.959 1.00 39.52 O -ATOM 1322 ND2 ASN A 174 36.352 34.401 9.337 1.00 39.16 N -ATOM 1323 N ILE A 175 39.252 36.176 4.793 1.00 36.34 N -ATOM 1324 CA ILE A 175 39.416 36.676 3.434 1.00 35.65 C -ATOM 1325 C ILE A 175 40.490 35.874 2.715 1.00 35.95 C -ATOM 1326 O ILE A 175 40.294 35.429 1.584 1.00 36.70 O -ATOM 1327 CB ILE A 175 39.866 38.142 3.403 1.00 35.13 C -ATOM 1328 CG1 ILE A 175 38.841 39.063 4.027 1.00 33.77 C -ATOM 1329 CG2 ILE A 175 40.110 38.590 1.980 1.00 36.37 C -ATOM 1330 CD1 ILE A 175 39.375 40.450 4.265 1.00 32.16 C -ATOM 1331 N TYR A 176 41.638 35.709 3.384 1.00 35.90 N -ATOM 1332 CA TYR A 176 42.770 34.957 2.850 1.00 35.65 C -ATOM 1333 C TYR A 176 42.360 33.515 2.588 1.00 35.78 C -ATOM 1334 O TYR A 176 42.726 32.954 1.584 1.00 36.87 O -ATOM 1335 CB TYR A 176 43.973 35.028 3.809 1.00 35.47 C -ATOM 1336 CG TYR A 176 45.115 34.146 3.400 1.00 36.36 C -ATOM 1337 CD1 TYR A 176 45.906 34.491 2.331 1.00 35.18 C -ATOM 1338 CD2 TYR A 176 45.391 32.952 4.080 1.00 35.62 C -ATOM 1339 CE1 TYR A 176 46.959 33.682 1.926 1.00 38.32 C -ATOM 1340 CE2 TYR A 176 46.404 32.134 3.679 1.00 37.57 C -ATOM 1341 CZ TYR A 176 47.192 32.508 2.589 1.00 37.16 C -ATOM 1342 OH TYR A 176 48.220 31.731 2.164 1.00 39.40 O -ATOM 1343 N VAL A 177 41.603 32.908 3.503 1.00 35.96 N -ATOM 1344 CA VAL A 177 41.232 31.489 3.427 1.00 34.66 C -ATOM 1345 C VAL A 177 40.278 31.268 2.248 1.00 34.97 C -ATOM 1346 O VAL A 177 40.465 30.332 1.497 1.00 35.43 O -ATOM 1347 CB VAL A 177 40.627 30.987 4.791 1.00 34.79 C -ATOM 1348 CG1 VAL A 177 39.814 29.743 4.603 1.00 33.28 C -ATOM 1349 CG2 VAL A 177 41.715 30.750 5.780 1.00 32.28 C -ATOM 1350 N ASN A 178 39.270 32.129 2.054 1.00 35.36 N -ATOM 1351 CA ASN A 178 38.376 32.016 0.875 1.00 34.77 C -ATOM 1352 C ASN A 178 39.125 32.256 -0.464 1.00 35.47 C -ATOM 1353 O ASN A 178 38.801 31.674 -1.503 1.00 36.27 O -ATOM 1354 CB ASN A 178 37.148 32.931 1.043 1.00 35.47 C -ATOM 1355 CG ASN A 178 36.232 32.482 2.186 1.00 33.79 C -ATOM 1356 OD1 ASN A 178 36.242 31.328 2.584 1.00 36.15 O -ATOM 1357 ND2 ASN A 178 35.447 33.389 2.701 1.00 39.04 N -ATOM 1358 N ALA A 179 40.171 33.064 -0.445 1.00 34.89 N -ATOM 1359 CA ALA A 179 40.951 33.266 -1.644 1.00 33.63 C -ATOM 1360 C ALA A 179 41.754 31.988 -1.889 1.00 32.95 C -ATOM 1361 O ALA A 179 41.740 31.445 -2.993 1.00 33.03 O -ATOM 1362 CB ALA A 179 41.820 34.505 -1.522 1.00 32.98 C -ATOM 1363 N VAL A 180 42.413 31.448 -0.875 1.00 32.84 N -ATOM 1364 CA VAL A 180 43.180 30.213 -1.055 1.00 32.32 C -ATOM 1365 C VAL A 180 42.308 29.020 -1.523 1.00 33.01 C -ATOM 1366 O VAL A 180 42.642 28.307 -2.449 1.00 32.78 O -ATOM 1367 CB VAL A 180 43.970 29.832 0.233 1.00 32.40 C -ATOM 1368 CG1 VAL A 180 44.491 28.438 0.147 1.00 28.24 C -ATOM 1369 CG2 VAL A 180 45.120 30.765 0.432 1.00 31.93 C -ATOM 1370 N ASN A 181 41.172 28.825 -0.885 1.00 33.65 N -ATOM 1371 CA ASN A 181 40.332 27.663 -1.148 1.00 33.89 C -ATOM 1372 C ASN A 181 39.611 27.720 -2.484 1.00 34.43 C -ATOM 1373 O ASN A 181 39.505 26.708 -3.144 1.00 35.56 O -ATOM 1374 CB ASN A 181 39.301 27.480 -0.015 1.00 33.56 C -ATOM 1375 CG ASN A 181 39.907 26.859 1.240 1.00 34.52 C -ATOM 1376 OD1 ASN A 181 40.920 26.135 1.198 1.00 34.72 O -ATOM 1377 ND2 ASN A 181 39.280 27.123 2.359 1.00 34.41 N -ATOM 1378 N HIS A 182 39.126 28.885 -2.888 1.00 35.34 N -ATOM 1379 CA HIS A 182 38.236 29.024 -4.073 1.00 35.91 C -ATOM 1380 C HIS A 182 38.832 29.700 -5.319 1.00 35.68 C -ATOM 1381 O HIS A 182 38.430 29.370 -6.459 1.00 36.20 O -ATOM 1382 CB HIS A 182 36.970 29.769 -3.675 1.00 35.98 C -ATOM 1383 CG HIS A 182 36.253 29.136 -2.530 1.00 37.51 C -ATOM 1384 ND1 HIS A 182 35.705 27.877 -2.609 1.00 40.47 N -ATOM 1385 CD2 HIS A 182 36.000 29.579 -1.279 1.00 39.48 C -ATOM 1386 CE1 HIS A 182 35.150 27.568 -1.451 1.00 39.89 C -ATOM 1387 NE2 HIS A 182 35.325 28.580 -0.622 1.00 39.98 N -ATOM 1388 N GLY A 183 39.745 30.647 -5.089 1.00 35.36 N -ATOM 1389 CA GLY A 183 40.459 31.351 -6.136 1.00 35.40 C -ATOM 1390 C GLY A 183 39.601 32.392 -6.802 1.00 35.74 C -ATOM 1391 O GLY A 183 39.949 32.883 -7.867 1.00 35.98 O -ATOM 1392 N LEU A 184 38.489 32.753 -6.158 1.00 36.31 N -ATOM 1393 CA LEU A 184 37.458 33.585 -6.779 1.00 35.97 C -ATOM 1394 C LEU A 184 37.658 35.044 -6.503 1.00 36.32 C -ATOM 1395 O LEU A 184 37.325 35.856 -7.346 1.00 37.12 O -ATOM 1396 CB LEU A 184 36.060 33.172 -6.326 1.00 35.61 C -ATOM 1397 CG LEU A 184 35.584 31.825 -6.821 1.00 35.35 C -ATOM 1398 CD1 LEU A 184 34.321 31.429 -6.080 1.00 36.27 C -ATOM 1399 CD2 LEU A 184 35.370 31.829 -8.337 1.00 38.47 C -ATOM 1400 N LEU A 185 38.180 35.400 -5.329 1.00 36.53 N -ATOM 1401 CA LEU A 185 38.289 36.802 -4.957 1.00 36.42 C -ATOM 1402 C LEU A 185 39.643 37.133 -4.291 1.00 37.00 C -ATOM 1403 O LEU A 185 40.000 36.588 -3.235 1.00 38.79 O -ATOM 1404 CB LEU A 185 37.093 37.122 -4.097 1.00 36.09 C -ATOM 1405 CG LEU A 185 36.800 38.537 -3.679 1.00 36.26 C -ATOM 1406 CD1 LEU A 185 36.861 39.531 -4.845 1.00 35.78 C -ATOM 1407 CD2 LEU A 185 35.465 38.492 -3.008 1.00 35.52 C -ATOM 1408 N ASP A 186 40.413 37.987 -4.961 1.00 37.28 N -ATOM 1409 CA ASP A 186 41.762 38.403 -4.531 1.00 37.84 C -ATOM 1410 C ASP A 186 41.515 39.093 -3.200 1.00 37.61 C -ATOM 1411 O ASP A 186 40.599 39.882 -3.111 1.00 37.60 O -ATOM 1412 CB ASP A 186 42.376 39.347 -5.612 1.00 38.20 C -ATOM 1413 CG ASP A 186 43.804 39.836 -5.295 1.00 39.70 C -ATOM 1414 OD1 ASP A 186 44.194 39.917 -4.120 1.00 44.76 O -ATOM 1415 OD2 ASP A 186 44.560 40.169 -6.240 1.00 41.06 O -ATOM 1416 N PRO A 187 42.293 38.781 -2.154 1.00 37.55 N -ATOM 1417 CA PRO A 187 41.980 39.448 -0.891 1.00 37.89 C -ATOM 1418 C PRO A 187 42.129 40.967 -0.954 1.00 38.11 C -ATOM 1419 O PRO A 187 41.407 41.674 -0.272 1.00 38.04 O -ATOM 1420 CB PRO A 187 42.958 38.833 0.110 1.00 37.88 C -ATOM 1421 CG PRO A 187 43.648 37.718 -0.551 1.00 37.41 C -ATOM 1422 CD PRO A 187 43.470 37.898 -2.038 1.00 38.51 C -ATOM 1423 N HIS A 188 43.042 41.453 -1.798 1.00 38.27 N -ATOM 1424 CA HIS A 188 43.116 42.874 -2.130 1.00 38.40 C -ATOM 1425 C HIS A 188 41.845 43.408 -2.831 1.00 38.38 C -ATOM 1426 O HIS A 188 41.357 44.460 -2.428 1.00 40.06 O -ATOM 1427 CB HIS A 188 44.378 43.199 -2.934 1.00 38.75 C -ATOM 1428 CG HIS A 188 45.646 42.951 -2.174 1.00 37.93 C -ATOM 1429 ND1 HIS A 188 46.855 42.761 -2.790 1.00 41.96 N -ATOM 1430 CD2 HIS A 188 45.880 42.838 -0.848 1.00 38.41 C -ATOM 1431 CE1 HIS A 188 47.788 42.553 -1.876 1.00 42.43 C -ATOM 1432 NE2 HIS A 188 47.221 42.586 -0.687 1.00 41.16 N -ATOM 1433 N VAL A 189 41.262 42.695 -3.791 1.00 37.51 N -ATOM 1434 CA VAL A 189 39.997 43.157 -4.370 1.00 37.09 C -ATOM 1435 C VAL A 189 38.897 43.169 -3.309 1.00 37.83 C -ATOM 1436 O VAL A 189 38.078 44.092 -3.220 1.00 40.21 O -ATOM 1437 CB VAL A 189 39.604 42.342 -5.637 1.00 37.23 C -ATOM 1438 CG1 VAL A 189 38.182 42.748 -6.160 1.00 32.98 C -ATOM 1439 CG2 VAL A 189 40.702 42.526 -6.692 1.00 35.06 C -ATOM 1440 N PHE A 190 38.879 42.164 -2.459 1.00 38.24 N -ATOM 1441 CA PHE A 190 37.930 42.129 -1.364 1.00 38.12 C -ATOM 1442 C PHE A 190 37.930 43.429 -0.520 1.00 38.34 C -ATOM 1443 O PHE A 190 36.876 43.998 -0.257 1.00 39.87 O -ATOM 1444 CB PHE A 190 38.236 40.907 -0.492 1.00 37.83 C -ATOM 1445 CG PHE A 190 37.136 40.537 0.456 1.00 36.95 C -ATOM 1446 CD1 PHE A 190 36.689 41.421 1.415 1.00 37.21 C -ATOM 1447 CD2 PHE A 190 36.548 39.304 0.391 1.00 38.65 C -ATOM 1448 CE1 PHE A 190 35.689 41.077 2.305 1.00 36.97 C -ATOM 1449 CE2 PHE A 190 35.510 38.972 1.276 1.00 39.97 C -ATOM 1450 CZ PHE A 190 35.106 39.874 2.242 1.00 36.34 C -ATOM 1451 N ILE A 191 39.093 43.851 -0.069 1.00 37.66 N -ATOM 1452 CA ILE A 191 39.239 44.935 0.885 1.00 38.25 C -ATOM 1453 C ILE A 191 38.992 46.255 0.192 1.00 39.20 C -ATOM 1454 O ILE A 191 38.430 47.141 0.782 1.00 39.95 O -ATOM 1455 CB ILE A 191 40.682 44.934 1.535 1.00 38.15 C -ATOM 1456 CG1 ILE A 191 40.840 43.772 2.505 1.00 38.54 C -ATOM 1457 CG2 ILE A 191 41.022 46.273 2.246 1.00 36.54 C -ATOM 1458 CD1 ILE A 191 42.328 43.282 2.647 1.00 39.08 C -ATOM 1459 N ASP A 192 39.427 46.382 -1.065 1.00 40.59 N -ATOM 1460 CA ASP A 192 39.142 47.558 -1.896 1.00 40.81 C -ATOM 1461 C ASP A 192 37.666 47.770 -2.092 1.00 41.34 C -ATOM 1462 O ASP A 192 37.265 48.902 -2.322 1.00 42.84 O -ATOM 1463 CB ASP A 192 39.732 47.440 -3.325 1.00 41.54 C -ATOM 1464 CG ASP A 192 41.252 47.562 -3.394 1.00 40.94 C -ATOM 1465 OD1 ASP A 192 41.924 47.964 -2.424 1.00 42.02 O -ATOM 1466 OD2 ASP A 192 41.775 47.217 -4.470 1.00 47.08 O -ATOM 1467 N ASN A 193 36.862 46.707 -2.030 1.00 41.24 N -ATOM 1468 CA ASN A 193 35.419 46.787 -2.367 1.00 41.20 C -ATOM 1469 C ASN A 193 34.444 46.650 -1.196 1.00 40.86 C -ATOM 1470 O ASN A 193 33.252 46.914 -1.354 1.00 40.67 O -ATOM 1471 CB ASN A 193 35.078 45.744 -3.429 1.00 41.22 C -ATOM 1472 CG ASN A 193 35.805 45.995 -4.721 1.00 42.38 C -ATOM 1473 OD1 ASN A 193 35.589 46.990 -5.364 1.00 43.88 O -ATOM 1474 ND2 ASN A 193 36.704 45.107 -5.081 1.00 48.27 N -ATOM 1475 N VAL A 194 34.964 46.248 -0.043 1.00 41.05 N -ATOM 1476 CA VAL A 194 34.188 46.121 1.166 1.00 40.92 C -ATOM 1477 C VAL A 194 33.794 47.532 1.596 1.00 41.15 C -ATOM 1478 O VAL A 194 34.512 48.505 1.331 1.00 41.17 O -ATOM 1479 CB VAL A 194 34.954 45.304 2.296 1.00 41.33 C -ATOM 1480 CG1 VAL A 194 36.055 46.119 2.926 1.00 40.45 C -ATOM 1481 CG2 VAL A 194 33.972 44.770 3.366 1.00 41.02 C -ATOM 1482 N ASP A 195 32.602 47.629 2.175 1.00 40.39 N -ATOM 1483 CA ASP A 195 32.066 48.850 2.738 1.00 40.14 C -ATOM 1484 C ASP A 195 32.834 49.158 4.036 1.00 40.01 C -ATOM 1485 O ASP A 195 32.386 48.881 5.136 1.00 39.44 O -ATOM 1486 CB ASP A 195 30.565 48.655 2.984 1.00 39.55 C -ATOM 1487 CG ASP A 195 29.842 49.940 3.212 1.00 41.27 C -ATOM 1488 OD1 ASP A 195 30.501 50.973 3.428 1.00 47.65 O -ATOM 1489 OD2 ASP A 195 28.612 49.948 3.178 1.00 39.69 O -ATOM 1490 N LEU A 196 34.028 49.715 3.876 1.00 39.95 N -ATOM 1491 CA LEU A 196 34.953 49.985 4.982 1.00 40.18 C -ATOM 1492 C LEU A 196 34.422 51.012 6.020 1.00 39.76 C -ATOM 1493 O LEU A 196 34.739 50.939 7.193 1.00 39.92 O -ATOM 1494 CB LEU A 196 36.312 50.471 4.396 1.00 39.76 C -ATOM 1495 CG LEU A 196 37.136 49.508 3.561 1.00 39.08 C -ATOM 1496 CD1 LEU A 196 38.129 50.249 2.656 1.00 39.57 C -ATOM 1497 CD2 LEU A 196 37.815 48.514 4.505 1.00 39.08 C -ATOM 1498 N LYS A 197 33.629 51.976 5.580 1.00 40.59 N -ATOM 1499 CA LYS A 197 32.955 52.903 6.510 1.00 41.08 C -ATOM 1500 C LYS A 197 32.146 52.137 7.573 1.00 40.02 C -ATOM 1501 O LYS A 197 31.969 52.627 8.666 1.00 39.94 O -ATOM 1502 CB LYS A 197 32.131 53.991 5.750 1.00 41.43 C -ATOM 1503 CG LYS A 197 32.942 55.354 5.495 1.00 44.11 C -ATOM 1504 CD LYS A 197 32.695 56.114 4.115 1.00 42.34 C -ATOM 1505 N ARG A 198 31.760 50.894 7.287 1.00 39.92 N -ATOM 1506 CA ARG A 198 30.998 50.062 8.217 1.00 38.94 C -ATOM 1507 C ARG A 198 31.788 49.112 9.096 1.00 39.01 C -ATOM 1508 O ARG A 198 31.234 48.497 9.990 1.00 39.10 O -ATOM 1509 CB ARG A 198 30.005 49.246 7.452 1.00 38.54 C -ATOM 1510 CG ARG A 198 28.835 50.051 6.979 1.00 38.22 C -ATOM 1511 CD ARG A 198 27.931 49.202 6.138 1.00 39.29 C -ATOM 1512 NE ARG A 198 26.888 50.008 5.493 1.00 41.36 N -ATOM 1513 CZ ARG A 198 25.718 50.312 6.045 1.00 42.27 C -ATOM 1514 NH1 ARG A 198 25.371 49.867 7.246 1.00 44.77 N -ATOM 1515 NH2 ARG A 198 24.878 51.060 5.375 1.00 42.36 N -ATOM 1516 N VAL A 199 33.071 48.958 8.840 1.00 39.12 N -ATOM 1517 CA VAL A 199 33.877 48.080 9.651 1.00 38.66 C -ATOM 1518 C VAL A 199 34.108 48.724 11.024 1.00 39.08 C -ATOM 1519 O VAL A 199 34.776 49.757 11.112 1.00 40.21 O -ATOM 1520 CB VAL A 199 35.244 47.805 8.985 1.00 38.73 C -ATOM 1521 CG1 VAL A 199 36.147 47.058 9.948 1.00 35.06 C -ATOM 1522 CG2 VAL A 199 35.045 47.032 7.649 1.00 38.44 C -ATOM 1523 N ASN A 200 33.562 48.117 12.086 1.00 38.46 N -ATOM 1524 CA ASN A 200 33.761 48.604 13.476 1.00 38.05 C -ATOM 1525 C ASN A 200 34.493 47.662 14.406 1.00 37.33 C -ATOM 1526 O ASN A 200 34.689 47.966 15.578 1.00 36.70 O -ATOM 1527 CB ASN A 200 32.432 49.029 14.142 1.00 37.90 C -ATOM 1528 CG ASN A 200 31.392 47.926 14.184 1.00 39.35 C -ATOM 1529 OD1 ASN A 200 31.607 46.851 13.662 1.00 42.86 O -ATOM 1530 ND2 ASN A 200 30.213 48.209 14.803 1.00 43.41 N -ATOM 1531 N TYR A 201 34.912 46.529 13.856 1.00 37.78 N -ATOM 1532 CA TYR A 201 35.604 45.466 14.604 1.00 38.01 C -ATOM 1533 C TYR A 201 36.407 44.628 13.633 1.00 37.95 C -ATOM 1534 O TYR A 201 35.892 44.286 12.580 1.00 38.28 O -ATOM 1535 CB TYR A 201 34.591 44.589 15.375 1.00 37.81 C -ATOM 1536 CG TYR A 201 35.164 43.715 16.453 1.00 38.00 C -ATOM 1537 CD1 TYR A 201 36.317 44.061 17.132 1.00 38.31 C -ATOM 1538 CD2 TYR A 201 34.550 42.529 16.801 1.00 38.21 C -ATOM 1539 CE1 TYR A 201 36.840 43.254 18.091 1.00 37.38 C -ATOM 1540 CE2 TYR A 201 35.080 41.723 17.767 1.00 36.73 C -ATOM 1541 CZ TYR A 201 36.229 42.106 18.405 1.00 36.28 C -ATOM 1542 OH TYR A 201 36.771 41.341 19.393 1.00 36.18 O -ATOM 1543 N ILE A 202 37.671 44.349 13.981 1.00 37.81 N -ATOM 1544 CA ILE A 202 38.533 43.485 13.180 1.00 38.12 C -ATOM 1545 C ILE A 202 39.127 42.309 13.985 1.00 37.38 C -ATOM 1546 O ILE A 202 39.416 42.453 15.155 1.00 36.54 O -ATOM 1547 CB ILE A 202 39.736 44.286 12.514 1.00 38.33 C -ATOM 1548 CG1 ILE A 202 39.220 45.408 11.601 1.00 38.89 C -ATOM 1549 CG2 ILE A 202 40.703 43.305 11.808 1.00 36.58 C -ATOM 1550 CD1 ILE A 202 40.280 46.281 11.061 1.00 37.74 C -ATOM 1551 N HIS A 203 39.310 41.167 13.323 1.00 38.29 N -ATOM 1552 CA HIS A 203 39.949 39.960 13.892 1.00 37.76 C -ATOM 1553 C HIS A 203 41.124 39.631 13.034 1.00 38.64 C -ATOM 1554 O HIS A 203 41.016 39.699 11.833 1.00 37.96 O -ATOM 1555 CB HIS A 203 39.059 38.748 13.764 1.00 38.27 C -ATOM 1556 CG HIS A 203 38.134 38.507 14.919 1.00 39.11 C -ATOM 1557 ND1 HIS A 203 37.325 37.393 14.984 1.00 39.15 N -ATOM 1558 CD2 HIS A 203 37.883 39.222 16.041 1.00 40.09 C -ATOM 1559 CE1 HIS A 203 36.620 37.431 16.101 1.00 39.91 C -ATOM 1560 NE2 HIS A 203 36.930 38.537 16.755 1.00 38.72 N -ATOM 1561 N ILE A 204 42.242 39.263 13.655 1.00 39.10 N -ATOM 1562 CA ILE A 204 43.415 38.753 12.973 1.00 39.63 C -ATOM 1563 C ILE A 204 43.939 37.587 13.796 1.00 39.86 C -ATOM 1564 O ILE A 204 43.980 37.695 15.013 1.00 40.17 O -ATOM 1565 CB ILE A 204 44.519 39.833 12.847 1.00 39.80 C -ATOM 1566 CG1 ILE A 204 45.751 39.236 12.175 1.00 40.41 C -ATOM 1567 CG2 ILE A 204 44.901 40.393 14.207 1.00 38.91 C -ATOM 1568 CD1 ILE A 204 46.396 40.134 11.195 1.00 40.53 C -ATOM 1569 N ALA A 205 44.293 36.467 13.163 1.00 41.12 N -ATOM 1570 CA ALA A 205 45.116 35.404 13.831 1.00 42.12 C -ATOM 1571 C ALA A 205 46.478 35.254 13.198 1.00 42.78 C -ATOM 1572 O ALA A 205 47.420 34.816 13.892 1.00 46.12 O -ATOM 1573 CB ALA A 205 44.404 34.096 13.820 1.00 41.71 C -ATOM 1574 N GLY A 248 51.788 36.059 8.166 1.00 51.99 N -ATOM 1575 CA GLY A 248 52.748 36.508 7.164 1.00 52.17 C -ATOM 1576 C GLY A 248 52.075 37.302 6.049 1.00 52.41 C -ATOM 1577 O GLY A 248 52.024 38.534 6.112 1.00 52.60 O -ATOM 1578 N THR A 249 51.564 36.604 5.022 1.00 52.30 N -ATOM 1579 CA THR A 249 50.714 37.219 3.988 1.00 51.73 C -ATOM 1580 C THR A 249 49.482 37.870 4.654 1.00 51.72 C -ATOM 1581 O THR A 249 48.996 38.883 4.156 1.00 52.05 O -ATOM 1582 CB THR A 249 50.277 36.210 2.871 1.00 50.53 C -ATOM 1583 N VAL A 250 49.011 37.323 5.787 1.00 51.64 N -ATOM 1584 CA VAL A 250 47.765 37.776 6.470 1.00 51.69 C -ATOM 1585 C VAL A 250 47.978 39.063 7.299 1.00 52.23 C -ATOM 1586 O VAL A 250 47.105 39.917 7.432 1.00 51.72 O -ATOM 1587 CB VAL A 250 47.196 36.642 7.378 1.00 51.28 C -ATOM 1588 CG1 VAL A 250 46.355 37.193 8.480 1.00 50.84 C -ATOM 1589 CG2 VAL A 250 46.396 35.681 6.578 1.00 51.14 C -ATOM 1590 N TRP A 251 49.157 39.150 7.885 1.00 53.56 N -ATOM 1591 CA TRP A 251 49.655 40.346 8.535 1.00 54.15 C -ATOM 1592 C TRP A 251 49.628 41.542 7.578 1.00 52.93 C -ATOM 1593 O TRP A 251 49.206 42.641 7.918 1.00 52.62 O -ATOM 1594 CB TRP A 251 51.112 40.099 8.967 1.00 56.59 C -ATOM 1595 CG TRP A 251 51.540 41.181 9.773 1.00 59.00 C -ATOM 1596 CD1 TRP A 251 52.423 42.212 9.448 1.00 60.14 C -ATOM 1597 CD2 TRP A 251 51.024 41.460 11.068 1.00 62.32 C -ATOM 1598 NE1 TRP A 251 52.494 43.096 10.509 1.00 61.07 N -ATOM 1599 CE2 TRP A 251 51.641 42.661 11.513 1.00 62.43 C -ATOM 1600 CE3 TRP A 251 50.099 40.791 11.919 1.00 61.60 C -ATOM 1601 CZ2 TRP A 251 51.357 43.208 12.784 1.00 61.67 C -ATOM 1602 CZ3 TRP A 251 49.810 41.333 13.169 1.00 60.41 C -ATOM 1603 CH2 TRP A 251 50.430 42.530 13.590 1.00 61.03 C -ATOM 1604 N ASP A 252 50.092 41.292 6.361 1.00 51.11 N -ATOM 1605 CA ASP A 252 50.115 42.295 5.323 1.00 49.92 C -ATOM 1606 C ASP A 252 48.728 42.731 4.873 1.00 47.90 C -ATOM 1607 O ASP A 252 48.549 43.887 4.512 1.00 47.95 O -ATOM 1608 CB ASP A 252 50.995 41.809 4.166 1.00 50.60 C -ATOM 1609 CG ASP A 252 52.480 41.686 4.589 1.00 53.41 C -ATOM 1610 OD1 ASP A 252 52.836 42.093 5.734 1.00 55.86 O -ATOM 1611 OD2 ASP A 252 53.298 41.171 3.798 1.00 57.43 O -ATOM 1612 N LEU A 253 47.754 41.827 4.926 1.00 45.45 N -ATOM 1613 CA LEU A 253 46.361 42.180 4.685 1.00 44.15 C -ATOM 1614 C LEU A 253 45.782 43.074 5.764 1.00 41.80 C -ATOM 1615 O LEU A 253 44.849 43.822 5.480 1.00 42.77 O -ATOM 1616 CB LEU A 253 45.484 40.962 4.596 1.00 43.84 C -ATOM 1617 CG LEU A 253 45.613 40.154 3.346 1.00 45.89 C -ATOM 1618 CD1 LEU A 253 44.291 39.486 3.272 1.00 47.70 C -ATOM 1619 CD2 LEU A 253 45.860 41.020 2.118 1.00 46.94 C -ATOM 1620 N LEU A 254 46.305 42.969 6.989 1.00 39.25 N -ATOM 1621 CA LEU A 254 45.939 43.882 8.066 1.00 37.05 C -ATOM 1622 C LEU A 254 46.466 45.264 7.749 1.00 36.25 C -ATOM 1623 O LEU A 254 45.724 46.215 7.864 1.00 35.66 O -ATOM 1624 CB LEU A 254 46.411 43.399 9.420 1.00 35.98 C -ATOM 1625 CG LEU A 254 45.882 44.181 10.620 1.00 36.12 C -ATOM 1626 CD1 LEU A 254 44.440 43.952 10.834 1.00 31.78 C -ATOM 1627 CD2 LEU A 254 46.720 43.773 11.847 1.00 35.03 C -ATOM 1628 N GLU A 255 47.727 45.371 7.308 1.00 36.87 N -ATOM 1629 CA GLU A 255 48.275 46.657 6.892 1.00 36.73 C -ATOM 1630 C GLU A 255 47.508 47.241 5.704 1.00 36.26 C -ATOM 1631 O GLU A 255 47.245 48.430 5.671 1.00 36.39 O -ATOM 1632 CB GLU A 255 49.742 46.555 6.540 1.00 37.07 C -ATOM 1633 CG GLU A 255 50.629 46.272 7.720 1.00 38.46 C -ATOM 1634 CD GLU A 255 52.036 46.869 7.599 1.00 41.38 C -ATOM 1635 OE1 GLU A 255 52.184 48.066 7.264 1.00 41.06 O -ATOM 1636 OE2 GLU A 255 53.019 46.148 7.909 1.00 46.11 O -ATOM 1637 N TYR A 256 47.146 46.395 4.741 1.00 35.62 N -ATOM 1638 CA TYR A 256 46.409 46.814 3.565 1.00 34.85 C -ATOM 1639 C TYR A 256 45.086 47.398 3.973 1.00 35.10 C -ATOM 1640 O TYR A 256 44.668 48.387 3.408 1.00 35.96 O -ATOM 1641 CB TYR A 256 46.229 45.636 2.600 1.00 34.57 C -ATOM 1642 CG TYR A 256 45.739 45.958 1.221 1.00 31.60 C -ATOM 1643 CD1 TYR A 256 46.611 46.275 0.209 1.00 30.72 C -ATOM 1644 CD2 TYR A 256 44.396 45.901 0.921 1.00 32.46 C -ATOM 1645 CE1 TYR A 256 46.160 46.559 -1.084 1.00 29.99 C -ATOM 1646 CE2 TYR A 256 43.935 46.178 -0.364 1.00 31.02 C -ATOM 1647 CZ TYR A 256 44.818 46.533 -1.353 1.00 31.77 C -ATOM 1648 OH TYR A 256 44.310 46.804 -2.612 1.00 32.22 O -ATOM 1649 N THR A 257 44.438 46.815 4.975 1.00 36.05 N -ATOM 1650 CA THR A 257 43.118 47.285 5.470 1.00 36.50 C -ATOM 1651 C THR A 257 43.329 48.576 6.251 1.00 36.24 C -ATOM 1652 O THR A 257 42.671 49.584 6.008 1.00 36.00 O -ATOM 1653 CB THR A 257 42.441 46.186 6.333 1.00 36.42 C -ATOM 1654 OG1 THR A 257 42.495 44.939 5.622 1.00 37.93 O -ATOM 1655 CG2 THR A 257 41.040 46.519 6.670 1.00 37.44 C -ATOM 1656 N TYR A 258 44.318 48.574 7.129 1.00 36.56 N -ATOM 1657 CA TYR A 258 44.658 49.768 7.934 1.00 36.57 C -ATOM 1658 C TYR A 258 44.970 51.046 7.100 1.00 36.17 C -ATOM 1659 O TYR A 258 44.584 52.139 7.498 1.00 36.07 O -ATOM 1660 CB TYR A 258 45.815 49.407 8.906 1.00 37.40 C -ATOM 1661 CG TYR A 258 45.432 48.630 10.193 1.00 37.39 C -ATOM 1662 CD1 TYR A 258 44.145 48.109 10.397 1.00 40.09 C -ATOM 1663 CD2 TYR A 258 46.378 48.412 11.185 1.00 36.67 C -ATOM 1664 CE1 TYR A 258 43.814 47.431 11.588 1.00 38.42 C -ATOM 1665 CE2 TYR A 258 46.067 47.736 12.337 1.00 38.02 C -ATOM 1666 CZ TYR A 258 44.779 47.249 12.556 1.00 39.34 C -ATOM 1667 OH TYR A 258 44.491 46.573 13.745 1.00 39.91 O -ATOM 1668 N ALA A 259 45.662 50.881 5.965 1.00 35.55 N -ATOM 1669 CA ALA A 259 45.886 51.912 4.924 1.00 34.64 C -ATOM 1670 C ALA A 259 44.639 52.481 4.249 1.00 35.05 C -ATOM 1671 O ALA A 259 44.734 53.516 3.589 1.00 35.72 O -ATOM 1672 CB ALA A 259 46.771 51.372 3.849 1.00 33.87 C -ATOM 1673 N ARG A 260 43.501 51.808 4.388 1.00 35.02 N -ATOM 1674 CA ARG A 260 42.238 52.162 3.723 1.00 35.66 C -ATOM 1675 C ARG A 260 41.047 52.461 4.638 1.00 36.10 C -ATOM 1676 O ARG A 260 40.103 53.043 4.154 1.00 37.55 O -ATOM 1677 CB ARG A 260 41.791 51.040 2.758 1.00 35.25 C -ATOM 1678 CG ARG A 260 42.686 50.958 1.547 1.00 35.05 C -ATOM 1679 CD ARG A 260 42.701 49.635 0.833 1.00 33.30 C -ATOM 1680 NE ARG A 260 43.513 49.779 -0.358 1.00 33.79 N -ATOM 1681 CZ ARG A 260 44.849 49.712 -0.380 1.00 35.86 C -ATOM 1682 NH1 ARG A 260 45.525 49.491 0.726 1.00 38.05 N -ATOM 1683 NH2 ARG A 260 45.530 49.877 -1.507 1.00 35.71 N -ATOM 1684 N LEU A 261 41.036 52.067 5.907 1.00 36.63 N -ATOM 1685 CA LEU A 261 39.864 52.345 6.766 1.00 37.66 C -ATOM 1686 C LEU A 261 39.707 53.839 7.007 1.00 39.05 C -ATOM 1687 O LEU A 261 40.651 54.581 6.918 1.00 39.38 O -ATOM 1688 CB LEU A 261 39.973 51.639 8.124 1.00 37.47 C -ATOM 1689 CG LEU A 261 39.913 50.121 8.156 1.00 35.96 C -ATOM 1690 CD1 LEU A 261 40.481 49.606 9.432 1.00 30.34 C -ATOM 1691 CD2 LEU A 261 38.466 49.687 8.008 1.00 36.67 C -ATOM 1692 N SER A 262 38.501 54.274 7.359 1.00 41.04 N -ATOM 1693 CA SER A 262 38.237 55.670 7.698 1.00 41.35 C -ATOM 1694 C SER A 262 38.553 56.033 9.128 1.00 41.17 C -ATOM 1695 O SER A 262 38.605 57.215 9.464 1.00 40.40 O -ATOM 1696 CB SER A 262 36.771 55.978 7.449 1.00 42.24 C -ATOM 1697 OG SER A 262 36.550 56.235 6.066 1.00 46.74 O -ATOM 1698 N HIS A 263 38.710 55.017 9.970 1.00 40.93 N -ATOM 1699 CA HIS A 263 38.955 55.189 11.394 1.00 41.30 C -ATOM 1700 C HIS A 263 39.684 53.903 11.799 1.00 40.36 C -ATOM 1701 O HIS A 263 39.824 53.007 10.979 1.00 39.27 O -ATOM 1702 CB HIS A 263 37.622 55.354 12.163 1.00 42.22 C -ATOM 1703 CG HIS A 263 36.576 54.344 11.768 1.00 45.17 C -ATOM 1704 ND1 HIS A 263 35.499 54.661 10.965 1.00 45.93 N -ATOM 1705 CD2 HIS A 263 36.503 53.001 11.987 1.00 47.67 C -ATOM 1706 CE1 HIS A 263 34.795 53.561 10.735 1.00 48.21 C -ATOM 1707 NE2 HIS A 263 35.379 52.540 11.347 1.00 47.40 N -HETATM 1708 N MSE A 264 40.138 53.824 13.053 1.00 39.40 N -HETATM 1709 CA MSE A 264 40.864 52.653 13.553 1.00 38.61 C -HETATM 1710 C MSE A 264 40.001 51.902 14.563 1.00 38.63 C -HETATM 1711 O MSE A 264 39.866 52.353 15.694 1.00 38.39 O -HETATM 1712 CB MSE A 264 42.174 53.089 14.184 1.00 38.45 C -HETATM 1713 CG MSE A 264 43.061 51.989 14.630 1.00 38.04 C -HETATM 1714 SE MSE A 264 43.343 50.581 13.354 0.75 40.71 SE -HETATM 1715 CE MSE A 264 44.424 51.566 12.101 1.00 31.58 C -ATOM 1716 N PRO A 265 39.364 50.780 14.135 1.00 38.70 N -ATOM 1717 CA PRO A 265 38.542 50.020 15.004 1.00 38.84 C -ATOM 1718 C PRO A 265 39.331 49.103 15.904 1.00 39.65 C -ATOM 1719 O PRO A 265 40.528 48.873 15.665 1.00 40.24 O -ATOM 1720 CB PRO A 265 37.686 49.203 14.042 1.00 39.33 C -ATOM 1721 CG PRO A 265 38.519 48.998 12.886 1.00 38.81 C -ATOM 1722 CD PRO A 265 39.329 50.226 12.766 1.00 39.41 C -ATOM 1723 N PRO A 266 38.669 48.598 16.964 1.00 39.41 N -ATOM 1724 CA PRO A 266 39.239 47.587 17.811 1.00 39.34 C -ATOM 1725 C PRO A 266 39.628 46.390 17.000 1.00 39.08 C -ATOM 1726 O PRO A 266 38.856 45.943 16.151 1.00 39.15 O -ATOM 1727 CB PRO A 266 38.083 47.233 18.743 1.00 39.17 C -ATOM 1728 CG PRO A 266 37.272 48.417 18.791 1.00 39.63 C -ATOM 1729 CD PRO A 266 37.342 49.002 17.441 1.00 39.72 C -ATOM 1730 N THR A 267 40.807 45.882 17.288 1.00 38.92 N -ATOM 1731 CA THR A 267 41.372 44.752 16.591 1.00 38.14 C -ATOM 1732 C THR A 267 41.798 43.708 17.649 1.00 39.26 C -ATOM 1733 O THR A 267 42.585 44.012 18.550 1.00 38.61 O -ATOM 1734 CB THR A 267 42.562 45.240 15.719 1.00 38.11 C -ATOM 1735 OG1 THR A 267 42.082 46.266 14.845 1.00 33.16 O -ATOM 1736 CG2 THR A 267 43.187 44.114 14.911 1.00 34.95 C -ATOM 1737 N LEU A 268 41.263 42.491 17.528 1.00 40.40 N -ATOM 1738 CA LEU A 268 41.464 41.406 18.490 1.00 41.77 C -ATOM 1739 C LEU A 268 42.382 40.371 17.879 1.00 43.61 C -ATOM 1740 O LEU A 268 42.224 40.060 16.708 1.00 44.54 O -ATOM 1741 CB LEU A 268 40.128 40.731 18.794 1.00 41.95 C -ATOM 1742 CG LEU A 268 39.985 39.812 19.992 1.00 41.40 C -ATOM 1743 CD1 LEU A 268 39.139 40.521 21.116 1.00 37.93 C -ATOM 1744 CD2 LEU A 268 39.356 38.466 19.523 1.00 39.64 C -ATOM 1745 N LEU A 269 43.356 39.878 18.651 1.00 45.36 N -ATOM 1746 CA LEU A 269 44.122 38.675 18.304 1.00 46.72 C -ATOM 1747 C LEU A 269 43.214 37.486 18.568 1.00 49.37 C -ATOM 1748 O LEU A 269 42.804 37.228 19.709 1.00 50.18 O -ATOM 1749 CB LEU A 269 45.387 38.566 19.137 1.00 45.90 C -ATOM 1750 CG LEU A 269 46.327 37.401 18.827 1.00 43.67 C -ATOM 1751 CD1 LEU A 269 47.060 37.654 17.566 1.00 39.89 C -ATOM 1752 CD2 LEU A 269 47.272 37.236 19.963 1.00 39.18 C -ATOM 1753 N GLU A 270 42.833 36.802 17.505 1.00 52.21 N -ATOM 1754 CA GLU A 270 42.036 35.578 17.615 1.00 54.77 C -ATOM 1755 C GLU A 270 42.990 34.371 17.430 1.00 57.35 C -ATOM 1756 O GLU A 270 43.843 34.369 16.529 1.00 58.05 O -ATOM 1757 CB GLU A 270 40.932 35.604 16.548 1.00 54.25 C -ATOM 1758 CG GLU A 270 40.110 34.362 16.507 1.00 53.92 C -ATOM 1759 CD GLU A 270 38.922 34.434 15.571 1.00 54.17 C -ATOM 1760 OE1 GLU A 270 39.063 34.964 14.436 1.00 51.04 O -ATOM 1761 OE2 GLU A 270 37.854 33.904 15.974 1.00 54.22 O -ATOM 1762 N ARG A 271 42.873 33.345 18.266 1.00 60.59 N -ATOM 1763 CA ARG A 271 43.798 32.206 18.163 1.00 63.03 C -ATOM 1764 C ARG A 271 43.042 30.885 18.117 1.00 63.50 C -ATOM 1765 O ARG A 271 42.478 30.471 19.134 1.00 64.68 O -ATOM 1766 CB ARG A 271 44.815 32.249 19.329 1.00 64.00 C -ATOM 1767 CG ARG A 271 46.264 31.854 18.942 1.00 68.23 C -ATOM 1768 CD ARG A 271 46.818 32.678 17.691 1.00 74.33 C -ATOM 1769 NE ARG A 271 47.762 33.783 17.993 1.00 77.28 N -ATOM 1770 CZ ARG A 271 49.033 33.645 18.424 1.00 78.01 C -ATOM 1771 NH1 ARG A 271 49.552 32.428 18.655 1.00 77.96 N -ATOM 1772 NH2 ARG A 271 49.793 34.733 18.650 1.00 77.05 N -ATOM 1773 N PHE A 275 47.148 26.996 21.100 1.00 62.62 N -ATOM 1774 CA PHE A 275 47.042 27.322 22.527 1.00 62.55 C -ATOM 1775 C PHE A 275 48.423 27.578 23.220 1.00 62.42 C -ATOM 1776 O PHE A 275 48.875 26.711 23.968 1.00 62.35 O -ATOM 1777 CB PHE A 275 46.277 26.202 23.274 1.00 62.54 C -ATOM 1778 N PRO A 276 49.075 28.769 22.976 1.00 61.98 N -ATOM 1779 CA PRO A 276 50.343 29.295 23.609 1.00 61.23 C -ATOM 1780 C PRO A 276 50.183 30.077 24.937 1.00 59.88 C -ATOM 1781 O PRO A 276 49.054 30.432 25.309 1.00 60.02 O -ATOM 1782 CB PRO A 276 50.880 30.258 22.546 1.00 61.08 C -ATOM 1783 CG PRO A 276 49.658 30.794 21.916 1.00 61.92 C -ATOM 1784 CD PRO A 276 48.585 29.714 21.947 1.00 62.16 C -ATOM 1785 N PRO A 277 51.311 30.381 25.627 1.00 58.06 N -ATOM 1786 CA PRO A 277 51.282 30.988 26.972 1.00 56.92 C -ATOM 1787 C PRO A 277 50.940 32.484 26.973 1.00 55.42 C -ATOM 1788 O PRO A 277 51.303 33.197 26.040 1.00 55.66 O -ATOM 1789 CB PRO A 277 52.714 30.770 27.490 1.00 56.92 C -ATOM 1790 CG PRO A 277 53.548 30.722 26.298 1.00 57.38 C -ATOM 1791 CD PRO A 277 52.698 30.177 25.165 1.00 58.06 C -ATOM 1792 N PHE A 278 50.284 32.947 28.037 1.00 53.39 N -ATOM 1793 CA PHE A 278 49.623 34.265 28.055 1.00 51.40 C -ATOM 1794 C PHE A 278 50.539 35.397 27.636 1.00 51.26 C -ATOM 1795 O PHE A 278 50.154 36.219 26.820 1.00 51.21 O -ATOM 1796 CB PHE A 278 49.088 34.577 29.450 1.00 49.79 C -ATOM 1797 CG PHE A 278 48.212 35.785 29.514 1.00 47.92 C -ATOM 1798 CD1 PHE A 278 46.948 35.765 28.995 1.00 44.61 C -ATOM 1799 CD2 PHE A 278 48.642 36.940 30.128 1.00 46.75 C -ATOM 1800 CE1 PHE A 278 46.146 36.861 29.076 1.00 43.82 C -ATOM 1801 CE2 PHE A 278 47.819 38.043 30.200 1.00 44.87 C -ATOM 1802 CZ PHE A 278 46.583 37.992 29.681 1.00 44.57 C -ATOM 1803 N GLU A 279 51.746 35.457 28.191 1.00 50.91 N -ATOM 1804 CA GLU A 279 52.635 36.583 27.888 1.00 50.42 C -ATOM 1805 C GLU A 279 53.052 36.619 26.400 1.00 49.40 C -ATOM 1806 O GLU A 279 53.227 37.706 25.878 1.00 49.93 O -ATOM 1807 CB GLU A 279 53.837 36.624 28.858 1.00 51.11 C -ATOM 1808 CG GLU A 279 54.875 37.760 28.624 1.00 52.64 C -ATOM 1809 CD GLU A 279 54.331 39.197 28.822 1.00 56.29 C -ATOM 1810 OE1 GLU A 279 53.504 39.425 29.751 1.00 56.82 O -ATOM 1811 OE2 GLU A 279 54.776 40.094 28.051 1.00 57.20 O -ATOM 1812 N LYS A 280 53.170 35.465 25.717 1.00 47.90 N -ATOM 1813 CA LYS A 280 53.346 35.427 24.240 1.00 46.29 C -ATOM 1814 C LYS A 280 52.158 36.099 23.562 1.00 45.25 C -ATOM 1815 O LYS A 280 52.327 36.946 22.686 1.00 45.63 O -ATOM 1816 CB LYS A 280 53.474 33.993 23.697 1.00 46.07 C -ATOM 1817 N LEU A 281 50.954 35.714 23.966 1.00 43.36 N -ATOM 1818 CA LEU A 281 49.727 36.328 23.448 1.00 42.02 C -ATOM 1819 C LEU A 281 49.703 37.853 23.671 1.00 41.50 C -ATOM 1820 O LEU A 281 49.232 38.595 22.811 1.00 42.38 O -ATOM 1821 CB LEU A 281 48.489 35.669 24.062 1.00 40.95 C -ATOM 1822 CG LEU A 281 48.212 34.225 23.666 1.00 39.37 C -ATOM 1823 CD1 LEU A 281 47.054 33.707 24.491 1.00 39.72 C -ATOM 1824 CD2 LEU A 281 47.923 34.066 22.219 1.00 36.64 C -ATOM 1825 N CYS A 282 50.200 38.322 24.808 1.00 40.84 N -ATOM 1826 CA CYS A 282 50.309 39.750 25.040 1.00 40.26 C -ATOM 1827 C CYS A 282 51.357 40.416 24.128 1.00 40.34 C -ATOM 1828 O CYS A 282 51.184 41.570 23.741 1.00 39.88 O -ATOM 1829 CB CYS A 282 50.656 40.042 26.494 1.00 40.18 C -ATOM 1830 SG CYS A 282 49.433 39.609 27.714 1.00 39.82 S -ATOM 1831 N LYS A 283 52.459 39.727 23.810 1.00 39.99 N -ATOM 1832 CA LYS A 283 53.459 40.324 22.911 1.00 39.78 C -ATOM 1833 C LYS A 283 52.872 40.436 21.501 1.00 39.33 C -ATOM 1834 O LYS A 283 53.128 41.413 20.820 1.00 40.12 O -ATOM 1835 CB LYS A 283 54.828 39.600 22.964 1.00 40.04 C -ATOM 1836 CG LYS A 283 55.569 39.782 24.350 1.00 39.58 C -ATOM 1837 CD LYS A 283 57.010 39.203 24.481 1.00 39.97 C -ATOM 1838 CE LYS A 283 57.506 39.203 25.956 1.00 37.63 C -ATOM 1839 N GLU A 284 52.046 39.468 21.093 1.00 38.20 N -ATOM 1840 CA GLU A 284 51.387 39.498 19.811 1.00 36.67 C -ATOM 1841 C GLU A 284 50.394 40.657 19.803 1.00 36.61 C -ATOM 1842 O GLU A 284 50.309 41.331 18.807 1.00 35.57 O -ATOM 1843 CB GLU A 284 50.738 38.143 19.436 1.00 37.03 C -ATOM 1844 CG GLU A 284 51.758 36.997 19.121 1.00 34.33 C -ATOM 1845 N VAL A 285 49.692 40.921 20.915 1.00 37.17 N -ATOM 1846 CA VAL A 285 48.743 42.053 21.025 1.00 37.36 C -ATOM 1847 C VAL A 285 49.465 43.435 20.955 1.00 38.66 C -ATOM 1848 O VAL A 285 48.964 44.370 20.346 1.00 39.80 O -ATOM 1849 CB VAL A 285 47.837 41.963 22.292 1.00 36.75 C -ATOM 1850 CG1 VAL A 285 46.930 43.162 22.350 1.00 36.47 C -ATOM 1851 CG2 VAL A 285 47.014 40.702 22.295 1.00 33.73 C -ATOM 1852 N ASP A 286 50.645 43.559 21.554 1.00 39.77 N -ATOM 1853 CA ASP A 286 51.452 44.792 21.485 1.00 40.30 C -ATOM 1854 C ASP A 286 51.811 45.172 20.048 1.00 40.35 C -ATOM 1855 O ASP A 286 51.881 46.334 19.731 1.00 40.90 O -ATOM 1856 CB ASP A 286 52.768 44.625 22.254 1.00 40.72 C -ATOM 1857 CG ASP A 286 52.597 44.667 23.760 1.00 43.13 C -ATOM 1858 OD1 ASP A 286 51.540 45.149 24.255 1.00 47.79 O -ATOM 1859 OD2 ASP A 286 53.544 44.229 24.459 1.00 44.52 O -ATOM 1860 N ILE A 287 52.084 44.170 19.223 1.00 40.20 N -ATOM 1861 CA ILE A 287 52.412 44.315 17.821 1.00 40.18 C -ATOM 1862 C ILE A 287 51.203 44.764 17.019 1.00 39.92 C -ATOM 1863 O ILE A 287 51.306 45.673 16.225 1.00 41.33 O -ATOM 1864 CB ILE A 287 53.009 42.983 17.275 1.00 40.03 C -ATOM 1865 CG1 ILE A 287 54.444 42.814 17.796 1.00 41.33 C -ATOM 1866 CG2 ILE A 287 53.005 42.925 15.775 1.00 40.51 C -ATOM 1867 CD1 ILE A 287 55.044 41.428 17.553 1.00 41.56 C -ATOM 1868 N ILE A 288 50.047 44.160 17.209 1.00 39.35 N -ATOM 1869 CA ILE A 288 48.839 44.697 16.591 1.00 38.85 C -ATOM 1870 C ILE A 288 48.733 46.167 16.977 1.00 39.00 C -ATOM 1871 O ILE A 288 48.461 46.993 16.150 1.00 39.72 O -ATOM 1872 CB ILE A 288 47.592 44.025 17.101 1.00 38.87 C -ATOM 1873 CG1 ILE A 288 47.585 42.539 16.727 1.00 40.23 C -ATOM 1874 CG2 ILE A 288 46.295 44.734 16.605 1.00 36.11 C -ATOM 1875 CD1 ILE A 288 46.342 41.792 17.376 1.00 39.46 C -ATOM 1876 N HIS A 289 48.971 46.504 18.233 1.00 38.71 N -ATOM 1877 CA HIS A 289 48.758 47.861 18.670 1.00 38.42 C -ATOM 1878 C HIS A 289 49.773 48.843 18.098 1.00 38.01 C -ATOM 1879 O HIS A 289 49.439 49.955 17.721 1.00 37.19 O -ATOM 1880 CB HIS A 289 48.746 47.954 20.203 1.00 38.58 C -ATOM 1881 CG HIS A 289 48.191 49.252 20.709 1.00 39.57 C -ATOM 1882 ND1 HIS A 289 47.045 49.831 20.182 1.00 39.74 N -ATOM 1883 CD2 HIS A 289 48.633 50.093 21.670 1.00 40.54 C -ATOM 1884 CE1 HIS A 289 46.805 50.964 20.811 1.00 41.48 C -ATOM 1885 NE2 HIS A 289 47.747 51.140 21.728 1.00 42.43 N -ATOM 1886 N GLN A 290 51.027 48.438 18.072 1.00 38.24 N -ATOM 1887 CA GLN A 290 52.068 49.247 17.483 1.00 39.10 C -ATOM 1888 C GLN A 290 51.736 49.529 16.024 1.00 38.29 C -ATOM 1889 O GLN A 290 51.970 50.609 15.543 1.00 38.61 O -ATOM 1890 CB GLN A 290 53.405 48.535 17.588 1.00 38.83 C -ATOM 1891 CG GLN A 290 53.906 48.303 19.016 1.00 40.30 C -ATOM 1892 CD GLN A 290 55.312 47.677 19.004 1.00 42.64 C -ATOM 1893 OE1 GLN A 290 55.989 47.653 17.951 1.00 47.88 O -ATOM 1894 NE2 GLN A 290 55.759 47.190 20.160 1.00 45.02 N -ATOM 1895 N LEU A 291 51.152 48.555 15.347 1.00 38.09 N -ATOM 1896 CA LEU A 291 50.738 48.708 13.980 1.00 38.04 C -ATOM 1897 C LEU A 291 49.538 49.650 13.850 1.00 37.77 C -ATOM 1898 O LEU A 291 49.431 50.380 12.888 1.00 39.33 O -ATOM 1899 CB LEU A 291 50.401 47.347 13.380 1.00 37.97 C -ATOM 1900 CG LEU A 291 50.706 47.290 11.898 1.00 39.04 C -ATOM 1901 CD1 LEU A 291 52.180 46.992 11.725 1.00 35.90 C -ATOM 1902 CD2 LEU A 291 49.795 46.257 11.213 1.00 37.95 C -ATOM 1903 N GLN A 292 48.632 49.641 14.805 1.00 36.93 N -ATOM 1904 CA GLN A 292 47.541 50.579 14.814 1.00 36.46 C -ATOM 1905 C GLN A 292 47.990 52.040 14.975 1.00 37.27 C -ATOM 1906 O GLN A 292 47.426 52.955 14.362 1.00 36.66 O -ATOM 1907 CB GLN A 292 46.594 50.247 15.968 1.00 36.95 C -ATOM 1908 CG GLN A 292 45.816 48.938 15.875 1.00 35.76 C -ATOM 1909 CD GLN A 292 44.871 48.774 17.024 1.00 34.91 C -ATOM 1910 OE1 GLN A 292 45.249 48.860 18.169 1.00 36.62 O -ATOM 1911 NE2 GLN A 292 43.633 48.566 16.727 1.00 34.51 N -ATOM 1912 N GLN A 293 48.975 52.258 15.847 1.00 37.96 N -ATOM 1913 CA GLN A 293 49.475 53.569 16.122 1.00 39.03 C -ATOM 1914 C GLN A 293 50.287 54.086 14.976 1.00 39.66 C -ATOM 1915 O GLN A 293 50.390 55.294 14.807 1.00 40.30 O -ATOM 1916 CB GLN A 293 50.408 53.554 17.339 1.00 39.78 C -ATOM 1917 CG GLN A 293 49.694 53.473 18.681 1.00 42.94 C -ATOM 1918 CD GLN A 293 50.585 52.966 19.810 1.00 45.89 C -ATOM 1919 OE1 GLN A 293 51.701 52.481 19.587 1.00 48.16 O -ATOM 1920 NE2 GLN A 293 50.085 53.064 21.026 1.00 47.95 N -ATOM 1921 N LYS A 294 50.957 53.197 14.252 1.00 40.09 N -ATOM 1922 CA LYS A 294 51.671 53.620 13.063 1.00 40.64 C -ATOM 1923 C LYS A 294 50.639 54.238 12.121 1.00 39.72 C -ATOM 1924 O LYS A 294 50.843 55.305 11.630 1.00 39.89 O -ATOM 1925 CB LYS A 294 52.442 52.463 12.395 1.00 40.88 C -ATOM 1926 CG LYS A 294 53.308 52.915 11.202 1.00 42.66 C -ATOM 1927 CD LYS A 294 54.199 51.794 10.560 1.00 43.02 C -ATOM 1928 CE LYS A 294 53.388 50.634 9.943 1.00 45.71 C -ATOM 1929 NZ LYS A 294 54.043 50.009 8.709 1.00 45.97 N -ATOM 1930 N TYR A 295 49.505 53.590 11.918 1.00 39.21 N -ATOM 1931 CA TYR A 295 48.513 54.076 10.962 1.00 38.73 C -ATOM 1932 C TYR A 295 47.617 55.216 11.455 1.00 37.83 C -ATOM 1933 O TYR A 295 47.256 56.063 10.674 1.00 38.06 O -ATOM 1934 CB TYR A 295 47.686 52.899 10.399 1.00 39.43 C -ATOM 1935 CG TYR A 295 48.487 52.122 9.376 1.00 40.37 C -ATOM 1936 CD1 TYR A 295 48.473 52.507 8.027 1.00 41.74 C -ATOM 1937 CD2 TYR A 295 49.280 51.044 9.748 1.00 39.44 C -ATOM 1938 CE1 TYR A 295 49.181 51.827 7.085 1.00 42.02 C -ATOM 1939 CE2 TYR A 295 49.993 50.344 8.809 1.00 41.33 C -ATOM 1940 CZ TYR A 295 49.961 50.747 7.474 1.00 42.28 C -ATOM 1941 OH TYR A 295 50.699 50.096 6.506 1.00 40.81 O -ATOM 1942 N VAL A 296 47.221 55.223 12.719 1.00 37.22 N -ATOM 1943 CA VAL A 296 46.555 56.391 13.308 1.00 36.23 C -ATOM 1944 C VAL A 296 47.466 57.633 13.171 1.00 36.45 C -ATOM 1945 O VAL A 296 46.995 58.687 12.789 1.00 37.27 O -ATOM 1946 CB VAL A 296 46.106 56.112 14.800 1.00 36.09 C -ATOM 1947 CG1 VAL A 296 45.799 57.427 15.557 1.00 34.47 C -ATOM 1948 CG2 VAL A 296 44.952 55.118 14.832 1.00 32.23 C -ATOM 1949 N LYS A 297 48.766 57.498 13.418 1.00 36.45 N -ATOM 1950 CA LYS A 297 49.715 58.633 13.294 1.00 36.27 C -ATOM 1951 C LYS A 297 49.909 59.068 11.850 1.00 36.23 C -ATOM 1952 O LYS A 297 49.811 60.233 11.561 1.00 36.24 O -ATOM 1953 CB LYS A 297 51.076 58.328 13.980 1.00 36.35 C -ATOM 1954 CG LYS A 297 52.263 59.347 13.753 1.00 36.95 C -ATOM 1955 CD LYS A 297 53.444 59.212 14.770 1.00 37.14 C -ATOM 1956 N LYS A 298 50.160 58.143 10.936 1.00 36.35 N -ATOM 1957 CA LYS A 298 50.631 58.512 9.609 1.00 36.53 C -ATOM 1958 C LYS A 298 49.480 58.997 8.758 1.00 35.95 C -ATOM 1959 O LYS A 298 49.711 59.769 7.842 1.00 34.98 O -ATOM 1960 CB LYS A 298 51.323 57.324 8.888 1.00 37.39 C -ATOM 1961 CG LYS A 298 52.502 56.633 9.695 1.00 39.79 C -ATOM 1962 CD LYS A 298 53.943 57.118 9.381 1.00 38.71 C -ATOM 1963 CE LYS A 298 54.494 58.070 10.424 1.00 39.98 C -ATOM 1964 NZ LYS A 298 55.653 58.889 9.870 1.00 41.85 N -ATOM 1965 N ARG A 299 48.254 58.530 9.062 1.00 35.60 N -ATOM 1966 CA ARG A 299 47.030 58.888 8.298 1.00 35.54 C -ATOM 1967 C ARG A 299 46.045 59.849 9.019 1.00 35.96 C -ATOM 1968 O ARG A 299 44.962 60.146 8.495 1.00 36.32 O -ATOM 1969 CB ARG A 299 46.269 57.638 7.868 1.00 34.98 C -ATOM 1970 CG ARG A 299 47.098 56.627 7.168 1.00 34.04 C -ATOM 1971 CD ARG A 299 46.359 55.995 6.047 1.00 34.81 C -ATOM 1972 NE ARG A 299 45.183 55.302 6.509 1.00 37.17 N -ATOM 1973 CZ ARG A 299 43.939 55.460 6.061 1.00 37.11 C -ATOM 1974 NH1 ARG A 299 43.650 56.294 5.131 1.00 37.70 N -ATOM 1975 NH2 ARG A 299 42.958 54.748 6.562 1.00 39.65 N -ATOM 1976 N GLY A 300 46.434 60.335 10.193 1.00 36.12 N -ATOM 1977 CA GLY A 300 45.587 61.192 11.009 1.00 36.60 C -ATOM 1978 C GLY A 300 44.228 60.602 11.340 1.00 37.35 C -ATOM 1979 O GLY A 300 43.240 61.321 11.343 1.00 38.29 O -ATOM 1980 N LEU A 301 44.156 59.300 11.600 1.00 37.51 N -ATOM 1981 CA LEU A 301 42.857 58.647 11.906 1.00 37.20 C -ATOM 1982 C LEU A 301 42.415 58.872 13.330 1.00 37.59 C -ATOM 1983 O LEU A 301 43.214 59.162 14.219 1.00 37.77 O -ATOM 1984 CB LEU A 301 42.932 57.143 11.731 1.00 36.67 C -ATOM 1985 CG LEU A 301 43.402 56.595 10.408 1.00 35.32 C -ATOM 1986 CD1 LEU A 301 43.330 55.017 10.494 1.00 35.14 C -ATOM 1987 CD2 LEU A 301 42.559 57.216 9.281 1.00 30.94 C -ATOM 1988 N SER A 302 41.127 58.669 13.559 1.00 38.63 N -ATOM 1989 CA SER A 302 40.618 58.579 14.905 1.00 39.16 C -ATOM 1990 C SER A 302 40.425 57.139 15.289 1.00 38.91 C -ATOM 1991 O SER A 302 40.037 56.308 14.472 1.00 39.23 O -ATOM 1992 CB SER A 302 39.260 59.240 15.000 1.00 39.86 C -ATOM 1993 OG SER A 302 39.328 60.627 14.766 1.00 42.49 O -ATOM 1994 N TRP A 303 40.612 56.887 16.570 1.00 38.77 N -ATOM 1995 CA TRP A 303 40.216 55.663 17.169 1.00 38.91 C -ATOM 1996 C TRP A 303 38.695 55.537 17.312 1.00 40.41 C -ATOM 1997 O TRP A 303 38.064 56.363 17.949 1.00 40.90 O -ATOM 1998 CB TRP A 303 40.830 55.573 18.542 1.00 38.23 C -ATOM 1999 CG TRP A 303 42.291 55.657 18.595 1.00 37.28 C -ATOM 2000 CD1 TRP A 303 43.026 56.754 18.868 1.00 37.69 C -ATOM 2001 CD2 TRP A 303 43.223 54.582 18.405 1.00 38.15 C -ATOM 2002 NE1 TRP A 303 44.376 56.445 18.855 1.00 37.44 N -ATOM 2003 CE2 TRP A 303 44.515 55.110 18.586 1.00 38.51 C -ATOM 2004 CE3 TRP A 303 43.093 53.224 18.092 1.00 38.25 C -ATOM 2005 CZ2 TRP A 303 45.658 54.329 18.470 1.00 38.32 C -ATOM 2006 CZ3 TRP A 303 44.235 52.451 17.981 1.00 36.88 C -ATOM 2007 CH2 TRP A 303 45.486 53.000 18.182 1.00 37.36 C -ATOM 2008 N LEU A 304 38.125 54.494 16.717 1.00 42.29 N -ATOM 2009 CA LEU A 304 36.752 54.075 16.975 1.00 43.91 C -ATOM 2010 C LEU A 304 36.721 53.514 18.385 1.00 45.30 C -ATOM 2011 O LEU A 304 37.520 52.642 18.740 1.00 45.25 O -ATOM 2012 CB LEU A 304 36.311 53.004 15.972 1.00 43.71 C -ATOM 2013 CG LEU A 304 34.818 52.724 15.870 1.00 44.66 C -ATOM 2014 CD1 LEU A 304 34.138 53.985 15.481 1.00 45.13 C -ATOM 2015 CD2 LEU A 304 34.512 51.728 14.809 1.00 44.68 C -ATOM 2016 N LYS A 305 35.855 54.081 19.211 1.00 47.35 N -ATOM 2017 CA LYS A 305 35.630 53.592 20.564 1.00 48.99 C -ATOM 2018 C LYS A 305 34.217 53.028 20.624 1.00 49.81 C -ATOM 2019 O LYS A 305 33.272 53.700 20.218 1.00 49.72 O -ATOM 2020 CB LYS A 305 35.783 54.718 21.585 1.00 49.49 C -ATOM 2021 CG LYS A 305 37.032 55.577 21.411 1.00 51.60 C -ATOM 2022 CD LYS A 305 37.272 56.449 22.637 1.00 55.77 C -ATOM 2023 CE LYS A 305 38.010 57.802 22.316 1.00 59.00 C -ATOM 2024 NZ LYS A 305 39.438 57.735 21.749 1.00 59.98 N -ATOM 2025 N ILE A 306 34.085 51.788 21.091 1.00 50.93 N -ATOM 2026 CA ILE A 306 32.781 51.143 21.257 1.00 51.97 C -ATOM 2027 C ILE A 306 32.350 51.123 22.757 1.00 52.66 C -ATOM 2028 O ILE A 306 33.113 50.787 23.656 1.00 53.71 O -ATOM 2029 CB ILE A 306 32.817 49.706 20.701 1.00 52.34 C -ATOM 2030 CG1 ILE A 306 33.134 49.733 19.210 1.00 51.37 C -ATOM 2031 CG2 ILE A 306 31.491 48.973 20.995 1.00 52.07 C -ATOM 2032 CD1 ILE A 306 33.389 48.349 18.674 1.00 52.60 C -ATOM 2033 OXT ILE A 306 31.247 51.470 23.175 1.00 53.02 O -TER 2034 ILE A 306 -HETATM 2035 FE FE A 307 33.730 34.462 14.491 1.00 32.91 FE -HETATM 2036 FE FE A 308 37.016 35.690 13.465 1.00 30.65 FE -HETATM 2037 AS CAC A 309 36.019 32.496 12.646 1.00 52.94 AS -HETATM 2038 O1 CAC A 309 34.341 32.699 13.090 1.00 50.92 O -HETATM 2039 O2 CAC A 309 36.876 33.978 12.325 1.00 50.24 O -HETATM 2040 C1 CAC A 309 37.074 31.652 14.104 1.00 51.37 C -HETATM 2041 C2 CAC A 309 35.938 31.382 11.008 1.00 52.85 C -HETATM 2042 C1 EDO A 310 29.814 34.788 4.276 1.00 37.51 C -HETATM 2043 O1 EDO A 310 30.801 35.795 4.340 1.00 31.12 O -HETATM 2044 C2 EDO A 310 30.508 33.428 4.223 1.00 40.10 C -HETATM 2045 O2 EDO A 310 29.505 32.439 3.970 1.00 41.04 O -HETATM 2046 C1 EDO A 311 51.539 54.419 5.527 1.00 52.10 C -HETATM 2047 O1 EDO A 311 52.338 55.240 6.374 1.00 50.68 O -HETATM 2048 C2 EDO A 311 50.278 55.178 5.086 1.00 51.92 C -HETATM 2049 O2 EDO A 311 49.476 54.372 4.190 1.00 51.49 O -HETATM 2050 O HOH A 312 33.174 35.114 -4.058 1.00 20.00 O -HETATM 2051 O HOH A 313 39.978 51.678 18.320 1.00 22.48 O -HETATM 2052 O HOH A 314 38.686 36.436 -0.616 1.00 23.40 O -HETATM 2053 O HOH A 315 37.547 33.184 -3.262 1.00 23.50 O -HETATM 2054 O HOH A 316 35.665 35.882 4.234 1.00 25.05 O -HETATM 2055 O HOH A 317 27.122 44.567 -2.935 1.00 25.68 O -HETATM 2056 O HOH A 318 44.057 53.037 21.801 1.00 26.47 O -HETATM 2057 O HOH A 319 15.002 41.982 3.382 1.00 27.45 O -HETATM 2058 O HOH A 320 35.142 33.743 -2.695 1.00 28.53 O -HETATM 2059 O HOH A 321 32.669 52.643 2.796 1.00 28.78 O -HETATM 2060 O HOH A 322 29.675 43.832 23.052 1.00 28.87 O -HETATM 2061 O HOH A 323 33.689 32.735 16.220 1.00 29.26 O -HETATM 2062 O HOH A 324 32.295 45.606 29.617 1.00 29.27 O -HETATM 2063 O HOH A 325 36.354 35.637 -0.868 1.00 29.38 O -HETATM 2064 O HOH A 326 39.256 58.880 11.435 1.00 30.79 O -HETATM 2065 O HOH A 327 17.677 35.026 -5.818 1.00 30.86 O -HETATM 2066 O HOH A 328 34.155 32.905 24.320 1.00 31.11 O -HETATM 2067 O HOH A 329 37.355 28.546 2.487 1.00 31.35 O -HETATM 2068 O HOH A 330 47.837 31.242 40.818 1.00 31.86 O -HETATM 2069 O HOH A 331 25.986 31.819 13.741 1.00 32.22 O -HETATM 2070 O HOH A 332 24.129 50.943 18.291 1.00 32.41 O -HETATM 2071 O HOH A 333 42.221 42.154 35.674 1.00 32.51 O -HETATM 2072 O HOH A 334 35.350 34.684 14.883 1.00 32.57 O -HETATM 2073 O HOH A 335 46.798 45.380 30.095 1.00 32.71 O -HETATM 2074 O HOH A 336 35.689 27.411 -6.471 1.00 32.91 O -HETATM 2075 O HOH A 337 20.382 36.541 -7.187 1.00 32.98 O -HETATM 2076 O HOH A 338 48.950 42.194 1.362 1.00 33.17 O -HETATM 2077 O HOH A 339 36.736 31.760 33.937 1.00 33.99 O -HETATM 2078 O HOH A 340 29.184 45.779 -3.001 1.00 34.43 O -HETATM 2079 O HOH A 341 25.287 34.093 19.846 1.00 34.45 O -HETATM 2080 O HOH A 342 34.946 47.893 32.541 1.00 34.80 O -HETATM 2081 O HOH A 343 36.523 34.230 22.894 1.00 34.96 O -HETATM 2082 O HOH A 344 33.836 45.684 31.690 1.00 34.97 O -HETATM 2083 O HOH A 345 42.388 51.565 26.335 1.00 35.03 O -HETATM 2084 O HOH A 346 31.528 43.078 36.183 1.00 35.09 O -HETATM 2085 O HOH A 347 39.746 49.825 25.553 1.00 35.37 O -HETATM 2086 O HOH A 348 36.388 52.515 8.148 1.00 35.39 O -HETATM 2087 O HOH A 349 21.480 42.020 32.942 1.00 35.77 O -HETATM 2088 O HOH A 350 37.037 53.946 4.233 1.00 35.87 O -HETATM 2089 O HOH A 351 27.277 52.078 3.043 1.00 36.04 O -HETATM 2090 O HOH A 352 34.149 56.730 9.739 1.00 36.08 O -HETATM 2091 O HOH A 353 33.537 34.604 20.707 1.00 36.09 O -HETATM 2092 O HOH A 354 29.251 34.954 8.390 1.00 36.12 O -HETATM 2093 O HOH A 355 27.767 47.073 15.217 1.00 36.14 O -HETATM 2094 O HOH A 356 34.403 56.556 18.458 1.00 36.34 O -HETATM 2095 O HOH A 357 53.955 52.219 16.041 1.00 37.84 O -HETATM 2096 O HOH A 358 19.382 31.312 16.081 1.00 37.94 O -HETATM 2097 O HOH A 359 29.887 34.073 -7.660 1.00 38.02 O -HETATM 2098 O HOH A 360 28.614 30.732 -3.134 1.00 38.34 O -HETATM 2099 O HOH A 361 53.895 55.523 15.259 1.00 38.45 O -HETATM 2100 O HOH A 362 35.790 50.409 -0.608 1.00 38.50 O -HETATM 2101 O HOH A 363 41.085 35.423 12.574 1.00 38.57 O -HETATM 2102 O HOH A 364 48.564 49.622 0.236 1.00 38.75 O -HETATM 2103 O HOH A 365 41.184 59.492 18.193 1.00 38.88 O -HETATM 2104 O HOH A 366 41.398 49.209 33.613 1.00 39.24 O -HETATM 2105 O HOH A 367 20.734 32.325 -8.984 1.00 39.39 O -HETATM 2106 O HOH A 368 14.299 36.162 0.409 1.00 39.70 O -HETATM 2107 O HOH A 369 50.170 47.444 23.599 1.00 39.84 O -HETATM 2108 O HOH A 370 39.683 33.149 11.794 1.00 39.84 O -HETATM 2109 O HOH A 371 47.608 47.496 23.181 1.00 40.00 O -HETATM 2110 O HOH A 372 13.041 33.920 3.698 1.00 40.10 O -HETATM 2111 O HOH A 373 37.575 34.890 18.525 1.00 40.69 O -HETATM 2112 O HOH A 374 44.152 30.223 34.289 1.00 40.82 O -HETATM 2113 O HOH A 375 39.350 38.904 -7.606 1.00 40.97 O -HETATM 2114 O HOH A 376 42.470 29.049 36.053 1.00 41.06 O -HETATM 2115 O HOH A 377 47.458 52.477 24.304 1.00 41.28 O -HETATM 2116 O HOH A 378 43.793 50.368 -3.819 1.00 41.37 O -HETATM 2117 O HOH A 379 16.179 44.428 2.268 1.00 41.52 O -HETATM 2118 O HOH A 380 17.451 33.620 28.440 1.00 41.58 O -HETATM 2119 O HOH A 381 36.620 29.188 27.843 1.00 41.67 O -HETATM 2120 O HOH A 382 33.631 26.892 37.372 1.00 41.95 O -HETATM 2121 O HOH A 383 21.137 42.479 -3.339 1.00 42.10 O -HETATM 2122 O HOH A 384 27.364 37.194 36.174 1.00 42.12 O -HETATM 2123 O HOH A 385 49.006 44.518 34.322 1.00 42.37 O -HETATM 2124 O HOH A 386 29.005 31.533 -9.032 1.00 42.42 O -HETATM 2125 O HOH A 387 49.058 39.043 33.722 1.00 42.52 O -HETATM 2126 O HOH A 388 46.123 54.070 22.436 1.00 42.55 O -HETATM 2127 O HOH A 389 33.381 39.987 40.572 1.00 42.73 O -HETATM 2128 O HOH A 390 50.489 36.591 33.621 1.00 42.81 O -HETATM 2129 O HOH A 391 26.379 24.372 -6.634 1.00 42.96 O -HETATM 2130 O HOH A 392 37.859 50.869 31.731 1.00 43.23 O -HETATM 2131 O HOH A 393 18.036 29.934 14.083 1.00 43.24 O -HETATM 2132 O HOH A 394 23.600 34.957 34.652 1.00 43.28 O -HETATM 2133 O HOH A 395 12.832 41.858 1.795 1.00 43.79 O -HETATM 2134 O HOH A 396 42.854 34.158 23.313 1.00 43.85 O -HETATM 2135 O HOH A 397 30.184 36.463 39.576 1.00 44.42 O -HETATM 2136 O HOH A 398 17.387 31.679 1.473 1.00 44.43 O -HETATM 2137 O HOH A 399 48.205 62.562 12.822 1.00 44.56 O -HETATM 2138 O HOH A 400 55.257 49.255 6.049 1.00 44.73 O -HETATM 2139 O HOH A 401 19.495 31.356 -2.752 1.00 44.90 O -HETATM 2140 O HOH A 402 34.385 26.041 -4.905 1.00 45.16 O -HETATM 2141 O HOH A 403 16.882 47.335 12.103 1.00 45.52 O -HETATM 2142 O HOH A 404 47.080 44.302 -5.427 1.00 45.62 O -HETATM 2143 O HOH A 405 49.895 47.606 -1.308 1.00 45.80 O -HETATM 2144 O HOH A 406 35.651 31.840 26.652 1.00 46.07 O -HETATM 2145 O HOH A 407 32.354 28.096 29.493 1.00 46.11 O -HETATM 2146 O HOH A 408 51.233 53.135 24.178 1.00 46.41 O -HETATM 2147 O HOH A 409 43.298 62.664 14.756 1.00 46.75 O -HETATM 2148 O HOH A 410 14.367 48.905 19.119 1.00 46.93 O -HETATM 2149 O HOH A 411 38.377 58.994 19.261 1.00 47.03 O -HETATM 2150 O HOH A 412 19.079 34.950 -7.973 1.00 47.16 O -HETATM 2151 O HOH A 413 28.274 26.005 39.431 1.00 47.36 O -HETATM 2152 O HOH A 414 49.701 56.718 17.458 1.00 47.54 O -HETATM 2153 O HOH A 415 14.812 39.763 27.024 1.00 47.81 O -HETATM 2154 O HOH A 416 48.233 53.688 33.838 1.00 48.35 O -HETATM 2155 O HOH A 417 41.293 51.903 -2.192 1.00 48.46 O -HETATM 2156 O HOH A 418 32.572 26.200 34.508 1.00 48.50 O -HETATM 2157 O HOH A 419 12.596 41.849 17.173 1.00 48.77 O -HETATM 2158 O HOH A 420 12.541 33.876 13.548 1.00 49.21 O -HETATM 2159 O HOH A 421 44.063 60.215 17.289 1.00 49.45 O -HETATM 2160 O HOH A 422 22.043 46.027 -1.715 1.00 49.68 O -HETATM 2161 O HOH A 423 49.424 39.339 40.019 1.00 49.84 O -HETATM 2162 O HOH A 424 23.005 39.122 33.180 1.00 51.16 O -HETATM 2163 O HOH A 425 50.097 42.018 34.302 1.00 51.39 O -HETATM 2164 O HOH A 426 45.329 60.767 14.634 1.00 51.41 O -HETATM 2165 O HOH A 427 38.604 51.848 28.932 1.00 51.80 O -HETATM 2166 O HOH A 428 12.405 45.508 22.255 1.00 51.87 O -HETATM 2167 O HOH A 429 35.623 32.704 17.360 1.00 51.90 O -HETATM 2168 O HOH A 430 47.765 57.527 19.216 1.00 52.20 O -HETATM 2169 O HOH A 431 12.208 47.582 19.941 1.00 52.22 O -HETATM 2170 O HOH A 432 12.694 31.433 20.433 1.00 52.40 O -HETATM 2171 O HOH A 433 30.116 30.171 14.225 1.00 52.72 O -HETATM 2172 O HOH A 434 38.860 51.755 -1.399 1.00 56.91 O -CONECT 3 5 -CONECT 5 3 6 -CONECT 6 5 7 9 -CONECT 7 6 8 13 -CONECT 8 7 -CONECT 9 6 10 -CONECT 10 9 11 -CONECT 11 10 12 -CONECT 12 11 -CONECT 13 7 -CONECT 217 226 227 -CONECT 226 217 228 -CONECT 227 217 229 -CONECT 228 226 230 234 -CONECT 229 227 231 235 -CONECT 230 228 232 242 -CONECT 231 229 233 242 -CONECT 232 230 -CONECT 233 231 -CONECT 234 228 236 -CONECT 235 229 237 -CONECT 236 234 238 -CONECT 237 235 239 -CONECT 238 236 240 -CONECT 239 237 241 -CONECT 240 238 -CONECT 241 239 -CONECT 242 230 231 -CONECT 312 317 -CONECT 317 312 318 -CONECT 318 317 319 321 -CONECT 319 318 320 325 -CONECT 320 319 -CONECT 321 318 322 -CONECT 322 321 323 -CONECT 323 322 324 -CONECT 324 323 -CONECT 325 319 -CONECT 495 2035 -CONECT 638 641 -CONECT 641 638 642 -CONECT 642 641 643 645 -CONECT 643 642 644 649 -CONECT 644 643 -CONECT 645 642 646 -CONECT 646 645 647 -CONECT 647 646 648 -CONECT 648 647 -CONECT 649 643 -CONECT 750 2035 -CONECT 788 793 794 -CONECT 793 788 795 -CONECT 794 788 796 -CONECT 795 793 797 801 -CONECT 796 794 798 802 -CONECT 797 795 799 809 -CONECT 798 796 800 809 -CONECT 799 797 -CONECT 800 798 -CONECT 801 795 803 -CONECT 802 796 804 -CONECT 803 801 805 -CONECT 804 802 806 -CONECT 805 803 807 -CONECT 806 804 808 -CONECT 807 805 -CONECT 808 806 -CONECT 809 797 798 -CONECT 1035 2035 -CONECT 1036 2036 -CONECT 1117 1122 -CONECT 1122 1117 1123 -CONECT 1123 1122 1124 1126 -CONECT 1124 1123 1125 1130 -CONECT 1125 1124 -CONECT 1126 1123 1127 -CONECT 1127 1126 1128 -CONECT 1128 1127 1129 -CONECT 1129 1128 -CONECT 1130 1124 -CONECT 1292 2036 -CONECT 1557 2036 -CONECT 1700 1708 -CONECT 1708 1700 1709 -CONECT 1709 1708 1710 1712 -CONECT 1710 1709 1711 1716 -CONECT 1711 1710 -CONECT 1712 1709 1713 -CONECT 1713 1712 1714 -CONECT 1714 1713 1715 -CONECT 1715 1714 -CONECT 1716 1710 -CONECT 1760 2036 -CONECT 2035 495 750 1035 2038 -CONECT 2035 2061 -CONECT 2036 1036 1292 1557 1760 -CONECT 2036 2039 2072 -CONECT 2037 2038 2039 2040 2041 -CONECT 2038 2035 2037 -CONECT 2039 2036 2037 -CONECT 2040 2037 -CONECT 2041 2037 -CONECT 2042 2043 2044 -CONECT 2043 2042 -CONECT 2044 2042 2045 -CONECT 2045 2044 -CONECT 2046 2047 2048 -CONECT 2047 2046 -CONECT 2048 2046 2049 -CONECT 2049 2048 -CONECT 2061 2035 -CONECT 2072 2036 -MASTER 455 0 12 12 8 0 9 6 2124 1 112 24 -END diff --git a/tests/structure/data/8crb.pdb b/tests/structure/data/8crb.pdb deleted file mode 100644 index a262757f8..000000000 --- a/tests/structure/data/8crb.pdb +++ /dev/null @@ -1,9696 +0,0 @@ -HEADER ANTIMICROBIAL PROTEIN 08-MAR-23 8CRB -TITLE CRYO-EM STRUCTURE OF PCRV/FAB(11-E5) -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: HEAVY CHAIN; -COMPND 3 CHAIN: A; -COMPND 4 MOL_ID: 2; -COMPND 5 MOLECULE: LIGHT CHAIN; -COMPND 6 CHAIN: B; -COMPND 7 MOL_ID: 3; -COMPND 8 MOLECULE: MALTOSE/MALTODEXTRIN-BINDING PERIPLASMIC PROTEIN,TYPE III -COMPND 9 SECRETION PROTEIN PCRV; -COMPND 10 CHAIN: C; -COMPND 11 SYNONYM: MMBP,MALTODEXTRIN-BINDING PROTEIN,MALTOSE-BINDING PROTEIN, -COMPND 12 MBP; -COMPND 13 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 3 ORGANISM_TAXID: 9606; -SOURCE 4 MOL_ID: 2; -SOURCE 5 ORGANISM_SCIENTIFIC: HOMO SAPIENS; -SOURCE 6 ORGANISM_TAXID: 9606; -SOURCE 7 MOL_ID: 3; -SOURCE 8 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; -SOURCE 9 ORGANISM_TAXID: 287; -SOURCE 10 GENE: MALE, B4034, JW3994, PCRV, PA1706; -SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; -SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562 -KEYWDS ANTIBODY T3SS TIP PROTEIN, ANTIMICROBIAL PROTEIN -EXPDTA ELECTRON MICROSCOPY -AUTHOR B.YUAN,A.SIMONIS,T.C.MARLOVITS -REVDAT 1 22-NOV-23 8CRB 0 -JRNL AUTH A.SIMONIS,C.KREER,A.ALBUS,K.ROX,B.YUAN,D.HOLZMANN,J.A.WILMS, -JRNL AUTH 2 S.ZUBER,L.KOTTEGE,S.WINTER,M.MEYER,K.SCHMITT,H.GRUELL, -JRNL AUTH 3 S.J.THEOBALD,A.M.HELLMANN,C.MEYER,M.S.ERCANOGLU,N.CRAMER, -JRNL AUTH 4 A.MUNDER,M.HALLEK,G.FATKENHEUER,M.KOCH,H.SEIFERT, -JRNL AUTH 5 E.RIETSCHEL,T.C.MARLOVITS,S.VAN KONINGSBRUGGEN-RIETSCHEL, -JRNL AUTH 6 F.KLEIN,J.RYBNIKER -JRNL TITL DISCOVERY OF HIGHLY NEUTRALIZING HUMAN ANTIBODIES TARGETING -JRNL TITL 2 PSEUDOMONAS AERUGINOSA. -JRNL REF CELL V. 186 5098 2023 -JRNL REFN ISSN 1097-4172 -JRNL PMID 37918395 -JRNL DOI 10.1016/J.CELL.2023.10.002 -REMARK 2 -REMARK 2 RESOLUTION. 4.60 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 SOFTWARE PACKAGES : NULL -REMARK 3 RECONSTRUCTION SCHEMA : NULL -REMARK 3 -REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT -REMARK 3 PDB ENTRY : NULL -REMARK 3 REFINEMENT SPACE : NULL -REMARK 3 REFINEMENT PROTOCOL : NULL -REMARK 3 REFINEMENT TARGET : NULL -REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL -REMARK 3 -REMARK 3 FITTING PROCEDURE : NULL -REMARK 3 -REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS -REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL -REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL -REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 4.600 -REMARK 3 NUMBER OF PARTICLES : 99625 -REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE -REMARK 3 CORRECTION -REMARK 3 -REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL -REMARK 3 -REMARK 3 OTHER DETAILS: NULL -REMARK 4 -REMARK 4 8CRB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-MAR-23. -REMARK 100 THE DEPOSITION ID IS D_1292129063. -REMARK 245 -REMARK 245 EXPERIMENTAL DETAILS -REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE -REMARK 245 SPECIMEN TYPE : NULL -REMARK 245 -REMARK 245 ELECTRON MICROSCOPE SAMPLE -REMARK 245 SAMPLE TYPE : PARTICLE -REMARK 245 PARTICLE TYPE : POINT -REMARK 245 NAME OF SAMPLE : PCRV-FAB(11-E5) -REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 0.33 -REMARK 245 SAMPLE SUPPORT DETAILS : NULL -REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL -REMARK 245 SAMPLE BUFFER : NULL -REMARK 245 PH : 7.40 -REMARK 245 SAMPLE DETAILS : NULL -REMARK 245 -REMARK 245 DATA ACQUISITION -REMARK 245 DATE OF EXPERIMENT : NULL -REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL -REMARK 245 TEMPERATURE (KELVIN) : NULL -REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS -REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) -REMARK 245 MINIMUM DEFOCUS (NM) : 1000.00 -REMARK 245 MAXIMUM DEFOCUS (NM) : 2500.00 -REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL -REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL -REMARK 245 NOMINAL CS : NULL -REMARK 245 IMAGING MODE : BRIGHT FIELD -REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 124.00 -REMARK 245 ILLUMINATION MODE : FLOOD BEAM -REMARK 245 NOMINAL MAGNIFICATION : NULL -REMARK 245 CALIBRATED MAGNIFICATION : NULL -REMARK 245 SOURCE : FIELD EMISSION GUN -REMARK 245 ACCELERATION VOLTAGE (KV) : 300 -REMARK 245 IMAGING DETAILS : NULL -REMARK 247 -REMARK 247 ELECTRON MICROSCOPY -REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON -REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE -REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES -REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION -REMARK 247 OF THE STRUCTURE FACTORS. -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET C -397 -REMARK 465 GLY C -396 -REMARK 465 SER C -395 -REMARK 465 TRP C -394 -REMARK 465 SER C -393 -REMARK 465 HIS C -392 -REMARK 465 PRO C -391 -REMARK 465 GLN C -390 -REMARK 465 PHE C -389 -REMARK 465 GLU C -388 -REMARK 465 LYS C -387 -REMARK 465 GLY C -386 -REMARK 465 GLY C -385 -REMARK 465 GLY C -384 -REMARK 465 SER C -383 -REMARK 465 GLY C -382 -REMARK 465 GLY C -381 -REMARK 465 GLY C -380 -REMARK 465 SER C -379 -REMARK 465 GLY C -378 -REMARK 465 GLY C -377 -REMARK 465 GLY C -376 -REMARK 465 SER C -375 -REMARK 465 TRP C -374 -REMARK 465 SER C -373 -REMARK 465 HIS C -372 -REMARK 465 PRO C -371 -REMARK 465 GLN C -370 -REMARK 465 PHE C -369 -REMARK 465 GLU C -368 -REMARK 465 LYS C -367 -REMARK 465 SER C -366 -REMARK 465 GLY C -365 -REMARK 465 LEU C -364 -REMARK 465 VAL C -363 -REMARK 465 PRO C -362 -REMARK 465 ARG C -361 -REMARK 465 GLY C -360 -REMARK 465 SER C -359 -REMARK 465 ALA C -358 -REMARK 465 SER C -357 -REMARK 465 LYS C -356 -REMARK 465 THR C -355 -REMARK 465 GLU C -354 -REMARK 465 GLU C -353 -REMARK 465 GLY C -352 -REMARK 465 LYS C -351 -REMARK 465 LEU C -350 -REMARK 465 VAL C -349 -REMARK 465 ILE C -348 -REMARK 465 TRP C -347 -REMARK 465 ILE C -346 -REMARK 465 ASN C -345 -REMARK 465 GLY C -344 -REMARK 465 ASP C -343 -REMARK 465 LYS C -342 -REMARK 465 GLY C -341 -REMARK 465 TYR C -340 -REMARK 465 ASN C -339 -REMARK 465 GLY C -338 -REMARK 465 LEU C -337 -REMARK 465 ALA C -336 -REMARK 465 GLU C -335 -REMARK 465 VAL C -334 -REMARK 465 GLY C -333 -REMARK 465 LYS C -332 -REMARK 465 LYS C -331 -REMARK 465 PHE C -330 -REMARK 465 GLU C -329 -REMARK 465 LYS C -328 -REMARK 465 ASP C -327 -REMARK 465 THR C -326 -REMARK 465 GLY C -325 -REMARK 465 ILE C -324 -REMARK 465 LYS C -323 -REMARK 465 VAL C -322 -REMARK 465 THR C -321 -REMARK 465 VAL C -320 -REMARK 465 GLU C -319 -REMARK 465 HIS C -318 -REMARK 465 PRO C -317 -REMARK 465 ASP C -316 -REMARK 465 LYS C -315 -REMARK 465 LEU C -314 -REMARK 465 GLU C -313 -REMARK 465 GLU C -312 -REMARK 465 LYS C -311 -REMARK 465 PHE C -310 -REMARK 465 PRO C -309 -REMARK 465 GLN C -308 -REMARK 465 VAL C -307 -REMARK 465 ALA C -306 -REMARK 465 ALA C -305 -REMARK 465 THR C -304 -REMARK 465 GLY C -303 -REMARK 465 ASP C -302 -REMARK 465 GLY C -301 -REMARK 465 PRO C -300 -REMARK 465 ASP C -299 -REMARK 465 ILE C -298 -REMARK 465 ILE C -297 -REMARK 465 PHE C -296 -REMARK 465 TRP C -295 -REMARK 465 ALA C -294 -REMARK 465 HIS C -293 -REMARK 465 ASP C -292 -REMARK 465 ARG C -291 -REMARK 465 PHE C -290 -REMARK 465 GLY C -289 -REMARK 465 GLY C -288 -REMARK 465 TYR C -287 -REMARK 465 ALA C -286 -REMARK 465 GLN C -285 -REMARK 465 SER C -284 -REMARK 465 GLY C -283 -REMARK 465 LEU C -282 -REMARK 465 LEU C -281 -REMARK 465 ALA C -280 -REMARK 465 GLU C -279 -REMARK 465 ILE C -278 -REMARK 465 THR C -277 -REMARK 465 PRO C -276 -REMARK 465 ALA C -275 -REMARK 465 ALA C -274 -REMARK 465 ALA C -273 -REMARK 465 PHE C -272 -REMARK 465 GLN C -271 -REMARK 465 ASP C -270 -REMARK 465 LYS C -269 -REMARK 465 LEU C -268 -REMARK 465 TYR C -267 -REMARK 465 PRO C -266 -REMARK 465 PHE C -265 -REMARK 465 THR C -264 -REMARK 465 TRP C -263 -REMARK 465 ASP C -262 -REMARK 465 ALA C -261 -REMARK 465 VAL C -260 -REMARK 465 ARG C -259 -REMARK 465 TYR C -258 -REMARK 465 ASN C -257 -REMARK 465 GLY C -256 -REMARK 465 LYS C -255 -REMARK 465 LEU C -254 -REMARK 465 ILE C -253 -REMARK 465 ALA C -252 -REMARK 465 TYR C -251 -REMARK 465 PRO C -250 -REMARK 465 ILE C -249 -REMARK 465 ALA C -248 -REMARK 465 VAL C -247 -REMARK 465 GLU C -246 -REMARK 465 ALA C -245 -REMARK 465 LEU C -244 -REMARK 465 SER C -243 -REMARK 465 LEU C -242 -REMARK 465 ILE C -241 -REMARK 465 TYR C -240 -REMARK 465 ASN C -239 -REMARK 465 LYS C -238 -REMARK 465 ASP C -237 -REMARK 465 LEU C -236 -REMARK 465 LEU C -235 -REMARK 465 PRO C -234 -REMARK 465 ASN C -233 -REMARK 465 PRO C -232 -REMARK 465 PRO C -231 -REMARK 465 LYS C -230 -REMARK 465 THR C -229 -REMARK 465 TRP C -228 -REMARK 465 GLU C -227 -REMARK 465 GLU C -226 -REMARK 465 ILE C -225 -REMARK 465 PRO C -224 -REMARK 465 ALA C -223 -REMARK 465 LEU C -222 -REMARK 465 ASP C -221 -REMARK 465 LYS C -220 -REMARK 465 GLU C -219 -REMARK 465 LEU C -218 -REMARK 465 LYS C -217 -REMARK 465 ALA C -216 -REMARK 465 LYS C -215 -REMARK 465 GLY C -214 -REMARK 465 LYS C -213 -REMARK 465 SER C -212 -REMARK 465 ALA C -211 -REMARK 465 LEU C -210 -REMARK 465 MET C -209 -REMARK 465 PHE C -208 -REMARK 465 ASN C -207 -REMARK 465 LEU C -206 -REMARK 465 GLN C -205 -REMARK 465 GLU C -204 -REMARK 465 PRO C -203 -REMARK 465 TYR C -202 -REMARK 465 PHE C -201 -REMARK 465 THR C -200 -REMARK 465 TRP C -199 -REMARK 465 PRO C -198 -REMARK 465 LEU C -197 -REMARK 465 ILE C -196 -REMARK 465 ALA C -195 -REMARK 465 ALA C -194 -REMARK 465 ASP C -193 -REMARK 465 GLY C -192 -REMARK 465 GLY C -191 -REMARK 465 TYR C -190 -REMARK 465 ALA C -189 -REMARK 465 PHE C -188 -REMARK 465 LYS C -187 -REMARK 465 TYR C -186 -REMARK 465 ALA C -185 -REMARK 465 ALA C -184 -REMARK 465 GLY C -183 -REMARK 465 LYS C -182 -REMARK 465 TYR C -181 -REMARK 465 ASP C -180 -REMARK 465 ILE C -179 -REMARK 465 LYS C -178 -REMARK 465 ASP C -177 -REMARK 465 VAL C -176 -REMARK 465 GLY C -175 -REMARK 465 VAL C -174 -REMARK 465 ASP C -173 -REMARK 465 ASN C -172 -REMARK 465 ALA C -171 -REMARK 465 GLY C -170 -REMARK 465 ALA C -169 -REMARK 465 LYS C -168 -REMARK 465 ALA C -167 -REMARK 465 GLY C -166 -REMARK 465 LEU C -165 -REMARK 465 THR C -164 -REMARK 465 PHE C -163 -REMARK 465 LEU C -162 -REMARK 465 VAL C -161 -REMARK 465 ASP C -160 -REMARK 465 LEU C -159 -REMARK 465 ILE C -158 -REMARK 465 LYS C -157 -REMARK 465 ASN C -156 -REMARK 465 LYS C -155 -REMARK 465 HIS C -154 -REMARK 465 MET C -153 -REMARK 465 ASN C -152 -REMARK 465 ALA C -151 -REMARK 465 ASP C -150 -REMARK 465 THR C -149 -REMARK 465 ASP C -148 -REMARK 465 TYR C -147 -REMARK 465 SER C -146 -REMARK 465 ILE C -145 -REMARK 465 ALA C -144 -REMARK 465 GLU C -143 -REMARK 465 HIS C -142 -REMARK 465 ALA C -141 -REMARK 465 PHE C -140 -REMARK 465 ASN C -139 -REMARK 465 HIS C -138 -REMARK 465 GLY C -137 -REMARK 465 GLU C -136 -REMARK 465 THR C -135 -REMARK 465 ALA C -134 -REMARK 465 MET C -133 -REMARK 465 THR C -132 -REMARK 465 ILE C -131 -REMARK 465 ASN C -130 -REMARK 465 GLY C -129 -REMARK 465 PRO C -128 -REMARK 465 TRP C -127 -REMARK 465 ALA C -126 -REMARK 465 TRP C -125 -REMARK 465 SER C -124 -REMARK 465 ASN C -123 -REMARK 465 ILE C -122 -REMARK 465 ASP C -121 -REMARK 465 THR C -120 -REMARK 465 SER C -119 -REMARK 465 LYS C -118 -REMARK 465 VAL C -117 -REMARK 465 ASN C -116 -REMARK 465 TYR C -115 -REMARK 465 GLY C -114 -REMARK 465 VAL C -113 -REMARK 465 THR C -112 -REMARK 465 VAL C -111 -REMARK 465 LEU C -110 -REMARK 465 PRO C -109 -REMARK 465 THR C -108 -REMARK 465 PHE C -107 -REMARK 465 LYS C -106 -REMARK 465 GLY C -105 -REMARK 465 GLN C -104 -REMARK 465 PRO C -103 -REMARK 465 SER C -102 -REMARK 465 LYS C -101 -REMARK 465 PRO C -100 -REMARK 465 PHE C -99 -REMARK 465 VAL C -98 -REMARK 465 GLY C -97 -REMARK 465 VAL C -96 -REMARK 465 LEU C -95 -REMARK 465 SER C -94 -REMARK 465 ALA C -93 -REMARK 465 GLY C -92 -REMARK 465 ILE C -91 -REMARK 465 ASN C -90 -REMARK 465 ALA C -89 -REMARK 465 ALA C -88 -REMARK 465 SER C -87 -REMARK 465 PRO C -86 -REMARK 465 ASN C -85 -REMARK 465 LYS C -84 -REMARK 465 GLU C -83 -REMARK 465 LEU C -82 -REMARK 465 ALA C -81 -REMARK 465 LYS C -80 -REMARK 465 GLU C -79 -REMARK 465 PHE C -78 -REMARK 465 LEU C -77 -REMARK 465 GLU C -76 -REMARK 465 ASN C -75 -REMARK 465 TYR C -74 -REMARK 465 LEU C -73 -REMARK 465 LEU C -72 -REMARK 465 THR C -71 -REMARK 465 ASP C -70 -REMARK 465 GLU C -69 -REMARK 465 GLY C -68 -REMARK 465 LEU C -67 -REMARK 465 GLU C -66 -REMARK 465 ALA C -65 -REMARK 465 VAL C -64 -REMARK 465 ASN C -63 -REMARK 465 LYS C -62 -REMARK 465 ASP C -61 -REMARK 465 LYS C -60 -REMARK 465 PRO C -59 -REMARK 465 LEU C -58 -REMARK 465 GLY C -57 -REMARK 465 ALA C -56 -REMARK 465 VAL C -55 -REMARK 465 ALA C -54 -REMARK 465 LEU C -53 -REMARK 465 LYS C -52 -REMARK 465 SER C -51 -REMARK 465 TYR C -50 -REMARK 465 GLU C -49 -REMARK 465 GLU C -48 -REMARK 465 GLU C -47 -REMARK 465 LEU C -46 -REMARK 465 VAL C -45 -REMARK 465 LYS C -44 -REMARK 465 ASP C -43 -REMARK 465 PRO C -42 -REMARK 465 ARG C -41 -REMARK 465 VAL C -40 -REMARK 465 ALA C -39 -REMARK 465 ALA C -38 -REMARK 465 THR C -37 -REMARK 465 MET C -36 -REMARK 465 GLU C -35 -REMARK 465 ASN C -34 -REMARK 465 ALA C -33 -REMARK 465 GLN C -32 -REMARK 465 LYS C -31 -REMARK 465 GLY C -30 -REMARK 465 GLU C -29 -REMARK 465 ILE C -28 -REMARK 465 MET C -27 -REMARK 465 PRO C -26 -REMARK 465 ASN C -25 -REMARK 465 ILE C -24 -REMARK 465 PRO C -23 -REMARK 465 GLN C -22 -REMARK 465 MET C -21 -REMARK 465 SER C -20 -REMARK 465 ALA C -19 -REMARK 465 PHE C -18 -REMARK 465 TRP C -17 -REMARK 465 TYR C -16 -REMARK 465 ALA C -15 -REMARK 465 VAL C -14 -REMARK 465 ARG C -13 -REMARK 465 THR C -12 -REMARK 465 ALA C -11 -REMARK 465 VAL C -10 -REMARK 465 ILE C -9 -REMARK 465 ASN C -8 -REMARK 465 ALA C -7 -REMARK 465 ALA C -6 -REMARK 465 SER C -5 -REMARK 465 GLY C -4 -REMARK 465 ARG C -3 -REMARK 465 GLN C -2 -REMARK 465 THR C -1 -REMARK 465 VAL C 0 -REMARK 465 ASP C 1 -REMARK 465 GLU C 2 -REMARK 465 VAL C 3 -REMARK 465 ARG C 4 -REMARK 465 ASN C 5 -REMARK 465 LEU C 6 -REMARK 465 ASN C 7 -REMARK 465 ALA C 8 -REMARK 465 ALA C 9 -REMARK 465 ARG C 10 -REMARK 465 GLU C 11 -REMARK 465 LEU C 12 -REMARK 465 PHE C 13 -REMARK 465 LEU C 14 -REMARK 465 ASP C 15 -REMARK 465 GLU C 16 -REMARK 465 LEU C 17 -REMARK 465 LEU C 18 -REMARK 465 ALA C 19 -REMARK 465 ALA C 20 -REMARK 465 PRO C 21 -REMARK 465 ALA C 22 -REMARK 465 ALA C 23 -REMARK 465 PRO C 24 -REMARK 465 ALA C 25 -REMARK 465 SER C 26 -REMARK 465 ALA C 27 -REMARK 465 GLU C 28 -REMARK 465 GLN C 29 -REMARK 465 GLU C 30 -REMARK 465 GLU C 31 -REMARK 465 LEU C 32 -REMARK 465 LEU C 33 -REMARK 465 ALA C 34 -REMARK 465 LEU C 35 -REMARK 465 LEU C 36 -REMARK 465 ARG C 37 -REMARK 465 SER C 38 -REMARK 465 GLU C 39 -REMARK 465 ARG C 40 -REMARK 465 ILE C 41 -REMARK 465 VAL C 42 -REMARK 465 LEU C 43 -REMARK 465 ALA C 44 -REMARK 465 HIS C 45 -REMARK 465 ALA C 46 -REMARK 465 GLY C 47 -REMARK 465 GLN C 48 -REMARK 465 PRO C 49 -REMARK 465 LEU C 50 -REMARK 465 SER C 51 -REMARK 465 GLU C 52 -REMARK 465 ALA C 53 -REMARK 465 GLN C 54 -REMARK 465 VAL C 55 -REMARK 465 LEU C 56 -REMARK 465 LYS C 57 -REMARK 465 ALA C 58 -REMARK 465 LEU C 59 -REMARK 465 ALA C 60 -REMARK 465 TRP C 61 -REMARK 465 LEU C 62 -REMARK 465 LEU C 63 -REMARK 465 ALA C 64 -REMARK 465 ALA C 65 -REMARK 465 ASN C 66 -REMARK 465 PRO C 67 -REMARK 465 SER C 68 -REMARK 465 ALA C 69 -REMARK 465 PRO C 70 -REMARK 465 PRO C 71 -REMARK 465 GLY C 72 -REMARK 465 GLN C 73 -REMARK 465 GLY C 74 -REMARK 465 LEU C 75 -REMARK 465 GLU C 76 -REMARK 465 VAL C 77 -REMARK 465 LEU C 78 -REMARK 465 ARG C 79 -REMARK 465 GLU C 80 -REMARK 465 VAL C 81 -REMARK 465 LEU C 82 -REMARK 465 GLN C 83 -REMARK 465 ALA C 84 -REMARK 465 ARG C 85 -REMARK 465 ARG C 86 -REMARK 465 GLN C 87 -REMARK 465 PRO C 88 -REMARK 465 GLY C 89 -REMARK 465 ALA C 90 -REMARK 465 GLN C 91 -REMARK 465 TRP C 92 -REMARK 465 ASP C 93 -REMARK 465 LEU C 94 -REMARK 465 ARG C 95 -REMARK 465 GLU C 96 -REMARK 465 PHE C 97 -REMARK 465 LEU C 98 -REMARK 465 VAL C 99 -REMARK 465 SER C 100 -REMARK 465 ALA C 101 -REMARK 465 TYR C 102 -REMARK 465 PHE C 103 -REMARK 465 SER C 104 -REMARK 465 LEU C 105 -REMARK 465 HIS C 106 -REMARK 465 GLY C 107 -REMARK 465 ARG C 108 -REMARK 465 LEU C 109 -REMARK 465 ASP C 110 -REMARK 465 GLU C 111 -REMARK 465 ASP C 112 -REMARK 465 VAL C 113 -REMARK 465 ILE C 114 -REMARK 465 GLY C 115 -REMARK 465 VAL C 116 -REMARK 465 TYR C 117 -REMARK 465 LYS C 118 -REMARK 465 ASP C 119 -REMARK 465 VAL C 120 -REMARK 465 LEU C 121 -REMARK 465 GLN C 122 -REMARK 465 THR C 123 -REMARK 465 GLN C 124 -REMARK 465 ASP C 125 -REMARK 465 GLY C 126 -REMARK 465 SER C 266 -REMARK 465 SER C 267 -REMARK 465 ARG C 268 -REMARK 465 TYR C 269 -REMARK 465 ASN C 270 -REMARK 465 SER C 271 -REMARK 465 ALA C 272 -REMARK 465 VAL C 273 -REMARK 465 GLU C 274 -REMARK 465 ALA C 275 -REMARK 465 LEU C 276 -REMARK 465 ASN C 277 -REMARK 465 ARG C 278 -REMARK 465 PHE C 279 -REMARK 465 ILE C 280 -REMARK 465 GLN C 281 -REMARK 465 LYS C 282 -REMARK 465 TYR C 283 -REMARK 465 ASP C 284 -REMARK 465 SER C 285 -REMARK 465 VAL C 286 -REMARK 465 LEU C 287 -REMARK 465 ARG C 288 -REMARK 465 ASP C 289 -REMARK 465 ILE C 290 -REMARK 465 LEU C 291 -REMARK 465 SER C 292 -REMARK 465 ALA C 293 -REMARK 465 ILE C 294 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 OD1 ASP A 73 HG SER A 75 1.58 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 ARG A 19 NE - CZ - NH2 ANGL. DEV. = 3.1 DEGREES -REMARK 500 ARG A 38 NE - CZ - NH2 ANGL. DEV. = 3.0 DEGREES -REMARK 500 ARG A 87 NE - CZ - NH2 ANGL. DEV. = 3.2 DEGREES -REMARK 500 ARG B 62 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 SER A 30 -57.57 59.71 -REMARK 500 SER A 31 -5.57 -153.42 -REMARK 500 ILE A 51 -46.58 63.74 -REMARK 500 SER A 52 -8.82 -167.57 -REMARK 500 THR A 58 22.84 -70.35 -REMARK 500 TYR A 59 13.23 -142.99 -REMARK 500 TYR A 60 163.76 56.17 -REMARK 500 ALA A 64 3.44 -156.70 -REMARK 500 LYS A 65 62.56 60.50 -REMARK 500 ASP A 73 74.96 -154.09 -REMARK 500 THR A 91 109.30 -55.45 -REMARK 500 ALA A 92 -159.85 -169.62 -REMARK 500 ARG A 100 -70.53 -160.07 -REMARK 500 SER A 106 -50.91 66.94 -REMARK 500 TYR A 108 10.44 57.78 -REMARK 500 ARG A 110 -104.57 48.76 -REMARK 500 PHE A 114 171.76 -56.96 -REMARK 500 GLU A 115 -21.81 -140.39 -REMARK 500 VAL A 125 93.24 -66.61 -REMARK 500 SER A 126 30.15 -87.50 -REMARK 500 THR A 174 -36.69 -140.62 -REMARK 500 THR A 207 78.32 -68.59 -REMARK 500 ASN B 52 -37.22 71.19 -REMARK 500 ASP B 53 0.57 -156.99 -REMARK 500 SER B 57 62.83 -66.07 -REMARK 500 ASP B 61 42.46 -74.26 -REMARK 500 THR B 70 25.98 -73.76 -REMARK 500 SER B 95 -141.48 38.35 -REMARK 500 VAL B 100 -28.89 -142.33 -REMARK 500 THR B 105 119.42 -162.55 -REMARK 500 ASN B 132 -16.85 62.62 -REMARK 500 ALA B 147 24.62 -79.73 -REMARK 500 ASP B 155 -99.35 43.16 -REMARK 500 LYS B 160 -24.58 -150.69 -REMARK 500 ASN B 174 19.56 59.75 -REMARK 500 SER B 204 11.47 -141.59 -REMARK 500 ARG C 128 32.02 -140.44 -REMARK 500 TYR C 177 -32.04 -142.46 -REMARK 500 ALA C 180 -167.50 53.02 -REMARK 500 ASP C 183 165.83 63.58 -REMARK 500 LEU C 205 113.92 -166.44 -REMARK 500 LYS C 225 -108.81 -98.66 -REMARK 500 ASP C 226 -64.94 -164.54 -REMARK 500 PHE C 230 49.26 -79.76 -REMARK 500 ASP C 233 137.45 66.27 -REMARK 500 ASN C 235 100.62 -56.61 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 TYR B 37 0.16 SIDE CHAIN -REMARK 500 TYR B 99 0.08 SIDE CHAIN -REMARK 500 TYR B 195 0.08 SIDE CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: EMD-16807 RELATED DB: EMDB -REMARK 900 CRYO-EM STRUCTURE OF PCRV/FAB(11-E5) -DBREF 8CRB A 1 227 PDB 8CRB 8CRB 1 227 -DBREF 8CRB B 1 216 PDB 8CRB 8CRB 1 216 -DBREF 8CRB C -354 1 UNP P0AEX9 MALE_ECOLI 29 384 -DBREF 8CRB C 2 294 UNP G3XD49 G3XD49_PSEAE 2 294 -SEQADV 8CRB MET C -397 UNP P0AEX9 INITIATING METHIONINE -SEQADV 8CRB GLY C -396 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -395 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB TRP C -394 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -393 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB HIS C -392 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB PRO C -391 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLN C -390 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB PHE C -389 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLU C -388 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB LYS C -387 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -386 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -385 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -384 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -383 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -382 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -381 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -380 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -379 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -378 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -377 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -376 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -375 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB TRP C -374 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -373 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB HIS C -372 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB PRO C -371 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLN C -370 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB PHE C -369 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLU C -368 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB LYS C -367 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -366 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -365 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB LEU C -364 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB VAL C -363 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB PRO C -362 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB ARG C -361 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB GLY C -360 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -359 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB ALA C -358 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB SER C -357 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB LYS C -356 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB THR C -355 UNP P0AEX9 EXPRESSION TAG -SEQADV 8CRB ALA C -275 UNP P0AEX9 ASP 108 CONFLICT -SEQADV 8CRB ALA C -274 UNP P0AEX9 LYS 109 CONFLICT -SEQADV 8CRB ALA C -185 UNP P0AEX9 GLU 198 CONFLICT -SEQADV 8CRB ALA C -184 UNP P0AEX9 ASN 199 CONFLICT -SEQADV 8CRB HIS C -142 UNP P0AEX9 ALA 241 CONFLICT -SEQADV 8CRB HIS C -138 UNP P0AEX9 LYS 245 CONFLICT -SEQADV 8CRB VAL C -45 UNP P0AEX9 ALA 338 CONFLICT -SEQADV 8CRB VAL C -40 UNP P0AEX9 ILE 343 CONFLICT -SEQADV 8CRB PRO C 21 UNP G3XD49 SER 21 CONFLICT -SEQADV 8CRB LYS C 225 UNP G3XD49 SER 225 CONFLICT -SEQRES 1 A 227 GLU VAL GLN LEU LEU GLU SER GLY GLY GLY LEU VAL GLN -SEQRES 2 A 227 PRO GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY -SEQRES 3 A 227 PHE SER PHE SER SER TYR ALA MET SER TRP VAL ARG GLN -SEQRES 4 A 227 ALA PRO GLY LYS GLY LEU GLU TRP VAL SER ALA ILE SER -SEQRES 5 A 227 GLY SER GLY GLY ILE THR TYR TYR GLY ASP SER ALA LYS -SEQRES 6 A 227 GLY ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR -SEQRES 7 A 227 LEU TYR LEU GLU MET SER SER LEU ARG ALA ASP ASP THR -SEQRES 8 A 227 ALA VAL TYR TYR CYS ALA GLN GLU ARG TYR CYS ASP SER -SEQRES 9 A 227 GLY SER CYS TYR GLU ARG ASP PRO VAL PHE GLU TYR TRP -SEQRES 10 A 227 GLY GLN GLY THR ARG VAL THR VAL SER SER ALA SER THR -SEQRES 11 A 227 LYS GLY PRO SER VAL PHE PRO LEU ALA PRO SER SER LYS -SEQRES 12 A 227 SER THR SER GLY GLY THR ALA ALA LEU GLY CYS LEU VAL -SEQRES 13 A 227 LYS ASP TYR PHE PRO GLU PRO VAL THR VAL SER TRP ASN -SEQRES 14 A 227 SER GLY ALA LEU THR SER GLY VAL HIS THR PHE PRO ALA -SEQRES 15 A 227 VAL LEU GLN SER SER GLY LEU TYR SER LEU SER SER VAL -SEQRES 16 A 227 VAL THR VAL PRO SER SER SER LEU GLY THR GLN THR TYR -SEQRES 17 A 227 ILE CYS ASN VAL ASN HIS LYS PRO SER ASN THR LYS VAL -SEQRES 18 A 227 ASP LYS ARG VAL GLU PRO -SEQRES 1 B 216 GLN SER VAL LEU THR GLN PRO PRO SER ALA SER GLY ALA -SEQRES 2 B 216 PRO GLY GLN ARG VAL THR ILE SER CYS SER GLY SER ASN -SEQRES 3 B 216 SER ASN ILE GLY THR TYR PHE VAL TYR TRP TYR GLN GLN -SEQRES 4 B 216 LEU PRO GLY THR ALA PRO LYS VAL LEU ILE TYR ARG ASN -SEQRES 5 B 216 ASP GLN ARG PRO SER GLY VAL PRO ASP ARG ILE SER GLY -SEQRES 6 B 216 SER LYS SER GLY THR SER ALA SER LEU ALA ILE SER GLY -SEQRES 7 B 216 LEU ARG SER GLU ASP GLU ALA ASP TYR TYR CYS ALA SER -SEQRES 8 B 216 TRP ASP ALA SER LEU ARG GLY TYR VAL PHE GLY PRO GLY -SEQRES 9 B 216 THR LYS VAL THR VAL LEU GLY GLN PRO LYS ALA ALA PRO -SEQRES 10 B 216 SER VAL THR LEU PHE PRO PRO SER SER GLU GLU LEU GLN -SEQRES 11 B 216 ALA ASN LYS ALA THR LEU VAL CYS LEU ILE SER ASP PHE -SEQRES 12 B 216 TYR PRO GLY ALA VAL THR VAL ALA TRP LYS ALA ASP SER -SEQRES 13 B 216 SER PRO VAL LYS ALA GLY VAL GLU THR THR THR PRO SER -SEQRES 14 B 216 LYS GLN SER ASN ASN LYS TYR ALA ALA SER SER TYR LEU -SEQRES 15 B 216 SER LEU THR PRO GLU GLN TRP LYS SER HIS ARG SER TYR -SEQRES 16 B 216 SER CYS GLN VAL THR HIS GLU GLY SER THR VAL GLU LYS -SEQRES 17 B 216 THR VAL ALA PRO THR GLU CYS SER -SEQRES 1 C 692 MET GLY SER TRP SER HIS PRO GLN PHE GLU LYS GLY GLY -SEQRES 2 C 692 GLY SER GLY GLY GLY SER GLY GLY GLY SER TRP SER HIS -SEQRES 3 C 692 PRO GLN PHE GLU LYS SER GLY LEU VAL PRO ARG GLY SER -SEQRES 4 C 692 ALA SER LYS THR GLU GLU GLY LYS LEU VAL ILE TRP ILE -SEQRES 5 C 692 ASN GLY ASP LYS GLY TYR ASN GLY LEU ALA GLU VAL GLY -SEQRES 6 C 692 LYS LYS PHE GLU LYS ASP THR GLY ILE LYS VAL THR VAL -SEQRES 7 C 692 GLU HIS PRO ASP LYS LEU GLU GLU LYS PHE PRO GLN VAL -SEQRES 8 C 692 ALA ALA THR GLY ASP GLY PRO ASP ILE ILE PHE TRP ALA -SEQRES 9 C 692 HIS ASP ARG PHE GLY GLY TYR ALA GLN SER GLY LEU LEU -SEQRES 10 C 692 ALA GLU ILE THR PRO ALA ALA ALA PHE GLN ASP LYS LEU -SEQRES 11 C 692 TYR PRO PHE THR TRP ASP ALA VAL ARG TYR ASN GLY LYS -SEQRES 12 C 692 LEU ILE ALA TYR PRO ILE ALA VAL GLU ALA LEU SER LEU -SEQRES 13 C 692 ILE TYR ASN LYS ASP LEU LEU PRO ASN PRO PRO LYS THR -SEQRES 14 C 692 TRP GLU GLU ILE PRO ALA LEU ASP LYS GLU LEU LYS ALA -SEQRES 15 C 692 LYS GLY LYS SER ALA LEU MET PHE ASN LEU GLN GLU PRO -SEQRES 16 C 692 TYR PHE THR TRP PRO LEU ILE ALA ALA ASP GLY GLY TYR -SEQRES 17 C 692 ALA PHE LYS TYR ALA ALA GLY LYS TYR ASP ILE LYS ASP -SEQRES 18 C 692 VAL GLY VAL ASP ASN ALA GLY ALA LYS ALA GLY LEU THR -SEQRES 19 C 692 PHE LEU VAL ASP LEU ILE LYS ASN LYS HIS MET ASN ALA -SEQRES 20 C 692 ASP THR ASP TYR SER ILE ALA GLU HIS ALA PHE ASN HIS -SEQRES 21 C 692 GLY GLU THR ALA MET THR ILE ASN GLY PRO TRP ALA TRP -SEQRES 22 C 692 SER ASN ILE ASP THR SER LYS VAL ASN TYR GLY VAL THR -SEQRES 23 C 692 VAL LEU PRO THR PHE LYS GLY GLN PRO SER LYS PRO PHE -SEQRES 24 C 692 VAL GLY VAL LEU SER ALA GLY ILE ASN ALA ALA SER PRO -SEQRES 25 C 692 ASN LYS GLU LEU ALA LYS GLU PHE LEU GLU ASN TYR LEU -SEQRES 26 C 692 LEU THR ASP GLU GLY LEU GLU ALA VAL ASN LYS ASP LYS -SEQRES 27 C 692 PRO LEU GLY ALA VAL ALA LEU LYS SER TYR GLU GLU GLU -SEQRES 28 C 692 LEU VAL LYS ASP PRO ARG VAL ALA ALA THR MET GLU ASN -SEQRES 29 C 692 ALA GLN LYS GLY GLU ILE MET PRO ASN ILE PRO GLN MET -SEQRES 30 C 692 SER ALA PHE TRP TYR ALA VAL ARG THR ALA VAL ILE ASN -SEQRES 31 C 692 ALA ALA SER GLY ARG GLN THR VAL ASP GLU VAL ARG ASN -SEQRES 32 C 692 LEU ASN ALA ALA ARG GLU LEU PHE LEU ASP GLU LEU LEU -SEQRES 33 C 692 ALA ALA PRO ALA ALA PRO ALA SER ALA GLU GLN GLU GLU -SEQRES 34 C 692 LEU LEU ALA LEU LEU ARG SER GLU ARG ILE VAL LEU ALA -SEQRES 35 C 692 HIS ALA GLY GLN PRO LEU SER GLU ALA GLN VAL LEU LYS -SEQRES 36 C 692 ALA LEU ALA TRP LEU LEU ALA ALA ASN PRO SER ALA PRO -SEQRES 37 C 692 PRO GLY GLN GLY LEU GLU VAL LEU ARG GLU VAL LEU GLN -SEQRES 38 C 692 ALA ARG ARG GLN PRO GLY ALA GLN TRP ASP LEU ARG GLU -SEQRES 39 C 692 PHE LEU VAL SER ALA TYR PHE SER LEU HIS GLY ARG LEU -SEQRES 40 C 692 ASP GLU ASP VAL ILE GLY VAL TYR LYS ASP VAL LEU GLN -SEQRES 41 C 692 THR GLN ASP GLY LYS ARG LYS ALA LEU LEU ASP GLU LEU -SEQRES 42 C 692 LYS ALA LEU THR ALA GLU LEU LYS VAL TYR SER VAL ILE -SEQRES 43 C 692 GLN SER GLN ILE ASN ALA ALA LEU SER ALA LYS GLN GLY -SEQRES 44 C 692 ILE ARG ILE ASP ALA GLY GLY ILE ASP LEU VAL ASP PRO -SEQRES 45 C 692 THR LEU TYR GLY TYR ALA VAL GLY ASP PRO ARG TRP LYS -SEQRES 46 C 692 ASP SER PRO GLU TYR ALA LEU LEU SER ASN LEU ASP THR -SEQRES 47 C 692 PHE SER GLY LYS LEU SER ILE LYS ASP PHE LEU SER GLY -SEQRES 48 C 692 SER PRO LYS GLN SER GLY GLU LEU LYS GLY LEU LYS ASP -SEQRES 49 C 692 GLU TYR PRO PHE GLU LYS ASP ASN ASN PRO VAL GLY ASN -SEQRES 50 C 692 PHE ALA THR THR VAL SER ASP ARG SER ARG PRO LEU ASN -SEQRES 51 C 692 ASP LYS VAL ASN GLU LYS THR THR LEU LEU ASN ASP THR -SEQRES 52 C 692 SER SER ARG TYR ASN SER ALA VAL GLU ALA LEU ASN ARG -SEQRES 53 C 692 PHE ILE GLN LYS TYR ASP SER VAL LEU ARG ASP ILE LEU -SEQRES 54 C 692 SER ALA ILE -HELIX 1 AA1 ASN A 74 LYS A 76 5 3 -HELIX 2 AA2 ARG A 87 THR A 91 5 5 -HELIX 3 AA3 SER A 141 SER A 146 5 6 -HELIX 4 AA4 SER A 201 LEU A 203 5 3 -HELIX 5 AA5 ASN B 28 TYR B 32 5 5 -HELIX 6 AA6 ARG B 80 GLU B 84 5 5 -HELIX 7 AA7 SER B 125 GLN B 130 1 6 -HELIX 8 AA8 THR B 185 HIS B 192 1 8 -HELIX 9 AA9 ALA B 211 CYS B 215 5 5 -HELIX 10 AB1 LYS C 129 ALA C 158 1 30 -HELIX 11 AB2 ASP C 173 TYR C 177 5 5 -HELIX 12 AB3 SER C 189 LEU C 198 1 10 -HELIX 13 AB4 SER C 206 SER C 212 1 7 -HELIX 14 AB5 PRO C 236 ASP C 264 1 29 -SHEET 1 AA1 4 GLN A 3 SER A 7 0 -SHEET 2 AA1 4 SER A 17 SER A 25 -1 O ALA A 23 N LEU A 5 -SHEET 3 AA1 4 THR A 78 SER A 84 -1 O LEU A 81 N LEU A 20 -SHEET 4 AA1 4 PHE A 68 ASP A 73 -1 N THR A 69 O GLU A 82 -SHEET 1 AA2 5 GLY A 10 VAL A 12 0 -SHEET 2 AA2 5 THR A 121 VAL A 125 1 O THR A 124 N VAL A 12 -SHEET 3 AA2 5 ALA A 92 GLN A 98 -1 N ALA A 92 O VAL A 123 -SHEET 4 AA2 5 MET A 34 GLN A 39 -1 N VAL A 37 O TYR A 95 -SHEET 5 AA2 5 GLU A 46 SER A 49 -1 O VAL A 48 N TRP A 36 -SHEET 1 AA3 4 GLY A 10 VAL A 12 0 -SHEET 2 AA3 4 THR A 121 VAL A 125 1 O THR A 124 N VAL A 12 -SHEET 3 AA3 4 ALA A 92 GLN A 98 -1 N ALA A 92 O VAL A 123 -SHEET 4 AA3 4 TYR A 116 TRP A 117 -1 O TYR A 116 N GLN A 98 -SHEET 1 AA4 4 SER A 134 PRO A 137 0 -SHEET 2 AA4 4 THR A 149 TYR A 159 -1 O LEU A 155 N PHE A 136 -SHEET 3 AA4 4 TYR A 190 PRO A 199 -1 O VAL A 196 N LEU A 152 -SHEET 4 AA4 4 VAL A 183 LEU A 184 -1 N VAL A 183 O SER A 191 -SHEET 1 AA5 3 VAL A 164 TRP A 168 0 -SHEET 2 AA5 3 ILE A 209 HIS A 214 -1 O ASN A 211 N SER A 167 -SHEET 3 AA5 3 LYS A 220 ARG A 224 -1 O LYS A 223 N CYS A 210 -SHEET 1 AA6 5 SER B 11 GLY B 12 0 -SHEET 2 AA6 5 LYS B 106 VAL B 109 1 O THR B 108 N GLY B 12 -SHEET 3 AA6 5 ALA B 85 TYR B 88 -1 N ALA B 85 O VAL B 107 -SHEET 4 AA6 5 TYR B 37 GLN B 39 -1 N TYR B 37 O TYR B 88 -SHEET 5 AA6 5 LYS B 46 VAL B 47 -1 O LYS B 46 N GLN B 38 -SHEET 1 AA7 3 VAL B 18 SER B 23 0 -SHEET 2 AA7 3 SER B 71 ILE B 76 -1 O ALA B 72 N CYS B 22 -SHEET 3 AA7 3 ILE B 63 SER B 68 -1 N SER B 68 O SER B 71 -SHEET 1 AA8 4 SER B 118 PHE B 122 0 -SHEET 2 AA8 4 THR B 135 PHE B 143 -1 O SER B 141 N SER B 118 -SHEET 3 AA8 4 TYR B 176 SER B 183 -1 O ALA B 178 N ILE B 140 -SHEET 4 AA8 4 VAL B 163 THR B 165 -1 N GLU B 164 O TYR B 181 -SHEET 1 AA9 4 SER B 118 PHE B 122 0 -SHEET 2 AA9 4 THR B 135 PHE B 143 -1 O SER B 141 N SER B 118 -SHEET 3 AA9 4 TYR B 176 SER B 183 -1 O ALA B 178 N ILE B 140 -SHEET 4 AA9 4 SER B 169 LYS B 170 -1 N SER B 169 O ALA B 177 -SHEET 1 AB1 4 SER B 157 PRO B 158 0 -SHEET 2 AB1 4 THR B 149 ALA B 154 -1 N ALA B 154 O SER B 157 -SHEET 3 AB1 4 TYR B 195 THR B 200 -1 O THR B 200 N THR B 149 -SHEET 4 AB1 4 VAL B 206 THR B 209 -1 O VAL B 206 N VAL B 199 -SHEET 1 AB2 2 ILE C 162 ARG C 163 0 -SHEET 2 AB2 2 GLU C 227 TYR C 228 -1 O TYR C 228 N ILE C 162 -CISPEP 1 PHE A 160 PRO A 161 0 -26.88 -CISPEP 2 GLU A 162 PRO A 163 0 6.52 -CISPEP 3 TYR B 144 PRO B 145 0 -4.17 -CISPEP 4 SER C 214 PRO C 215 0 -12.54 -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 -SCALE1 1.000000 0.000000 0.000000 0.00000 -SCALE2 0.000000 1.000000 0.000000 0.00000 -SCALE3 0.000000 0.000000 1.000000 0.00000 -ATOM 1 N GLU A 1 44.900 70.195 75.252 1.00103.93 N -ATOM 2 CA GLU A 1 46.322 69.945 74.906 1.00102.61 C -ATOM 3 C GLU A 1 47.140 69.629 76.171 1.00 97.12 C -ATOM 4 O GLU A 1 46.920 70.240 77.217 1.00 92.99 O -ATOM 5 CB GLU A 1 46.928 71.132 74.130 1.00 96.99 C -ATOM 6 CG GLU A 1 46.335 71.279 72.718 1.00 88.10 C -ATOM 7 CD GLU A 1 46.859 72.518 71.970 1.00 91.22 C -ATOM 8 OE1 GLU A 1 46.796 73.640 72.517 1.00 95.80 O -ATOM 9 OE2 GLU A 1 47.300 72.382 70.805 1.00 89.22 O -ATOM 10 H1 GLU A 1 44.354 70.369 74.421 1.00124.72 H -ATOM 11 H2 GLU A 1 44.507 69.400 75.732 1.00124.72 H -ATOM 12 H3 GLU A 1 44.828 70.995 75.863 1.00124.72 H -ATOM 13 HA GLU A 1 46.376 69.069 74.260 1.00123.13 H -ATOM 14 HB2 GLU A 1 46.771 72.048 74.697 1.00116.39 H -ATOM 15 HB3 GLU A 1 48.002 70.974 74.030 1.00116.39 H -ATOM 16 HG2 GLU A 1 46.569 70.379 72.151 1.00105.72 H -ATOM 17 HG3 GLU A 1 45.251 71.357 72.788 1.00105.72 H -ATOM 18 N VAL A 2 48.089 68.684 76.102 1.00 90.48 N -ATOM 19 CA VAL A 2 49.039 68.344 77.187 1.00 81.90 C -ATOM 20 C VAL A 2 50.421 68.879 76.816 1.00 78.43 C -ATOM 21 O VAL A 2 50.895 68.609 75.712 1.00 80.39 O -ATOM 22 CB VAL A 2 49.116 66.820 77.429 1.00 85.05 C -ATOM 23 CG1 VAL A 2 50.056 66.475 78.591 1.00 86.25 C -ATOM 24 CG2 VAL A 2 47.745 66.212 77.737 1.00 86.90 C -ATOM 25 H VAL A 2 48.230 68.218 75.219 1.00108.57 H -ATOM 26 HA VAL A 2 48.728 68.817 78.118 1.00 98.28 H -ATOM 27 HB VAL A 2 49.498 66.337 76.530 1.00102.06 H -ATOM 28 HG11 VAL A 2 50.067 65.398 78.751 1.00103.50 H -ATOM 29 HG12 VAL A 2 51.074 66.791 78.368 1.00103.50 H -ATOM 30 HG13 VAL A 2 49.723 66.964 79.506 1.00103.50 H -ATOM 31 HG21 VAL A 2 47.852 65.149 77.946 1.00104.28 H -ATOM 32 HG22 VAL A 2 47.299 66.704 78.600 1.00104.28 H -ATOM 33 HG23 VAL A 2 47.085 66.323 76.878 1.00104.28 H -ATOM 34 N GLN A 3 51.060 69.652 77.700 1.00 72.37 N -ATOM 35 CA GLN A 3 52.345 70.307 77.412 1.00 63.68 C -ATOM 36 C GLN A 3 53.050 70.835 78.672 1.00 57.90 C -ATOM 37 O GLN A 3 52.408 71.002 79.709 1.00 66.49 O -ATOM 38 CB GLN A 3 52.130 71.439 76.386 1.00 62.58 C -ATOM 39 CG GLN A 3 51.160 72.544 76.850 1.00 69.98 C -ATOM 40 CD GLN A 3 50.732 73.499 75.734 1.00 76.20 C -ATOM 41 OE1 GLN A 3 51.006 73.313 74.556 1.00 69.38 O -ATOM 42 NE2 GLN A 3 50.032 74.562 76.063 1.00 80.33 N -ATOM 43 H GLN A 3 50.665 69.778 78.620 1.00 86.85 H -ATOM 44 HA GLN A 3 53.003 69.561 76.968 1.00 76.41 H -ATOM 45 HB2 GLN A 3 53.091 71.894 76.152 1.00 75.09 H -ATOM 46 HB3 GLN A 3 51.750 71.002 75.464 1.00 75.09 H -ATOM 47 HG2 GLN A 3 50.254 72.097 77.256 1.00 83.98 H -ATOM 48 HG3 GLN A 3 51.634 73.122 77.643 1.00 83.98 H -ATOM 49 HE21 GLN A 3 49.748 75.194 75.329 1.00 96.40 H -ATOM 50 HE22 GLN A 3 49.775 74.730 77.025 1.00 96.40 H -ATOM 51 N LEU A 4 54.340 71.179 78.592 1.00 48.28 N -ATOM 52 CA LEU A 4 54.957 72.095 79.568 1.00 53.12 C -ATOM 53 C LEU A 4 54.941 73.549 79.064 1.00 57.68 C -ATOM 54 O LEU A 4 54.817 73.783 77.863 1.00 55.25 O -ATOM 55 CB LEU A 4 56.399 71.697 79.924 1.00 49.49 C -ATOM 56 CG LEU A 4 56.732 70.211 80.119 1.00 61.02 C -ATOM 57 CD1 LEU A 4 58.145 70.082 80.691 1.00 56.22 C -ATOM 58 CD2 LEU A 4 55.787 69.497 81.079 1.00 68.14 C -ATOM 59 H LEU A 4 54.821 71.028 77.721 1.00 57.94 H -ATOM 60 HA LEU A 4 54.383 72.069 80.494 1.00 63.74 H -ATOM 61 HB2 LEU A 4 57.055 72.078 79.144 1.00 59.39 H -ATOM 62 HB3 LEU A 4 56.662 72.222 80.841 1.00 59.39 H -ATOM 63 HG LEU A 4 56.703 69.717 79.149 1.00 73.23 H -ATOM 64 HD11 LEU A 4 58.429 69.033 80.730 1.00 67.46 H -ATOM 65 HD12 LEU A 4 58.857 70.609 80.059 1.00 67.46 H -ATOM 66 HD13 LEU A 4 58.189 70.501 81.693 1.00 67.46 H -ATOM 67 HD21 LEU A 4 56.079 68.451 81.153 1.00 81.77 H -ATOM 68 HD22 LEU A 4 55.863 69.950 82.066 1.00 81.77 H -ATOM 69 HD23 LEU A 4 54.760 69.549 80.720 1.00 81.77 H -ATOM 70 N LEU A 5 55.129 74.516 79.970 1.00 59.35 N -ATOM 71 CA LEU A 5 55.388 75.931 79.677 1.00 56.62 C -ATOM 72 C LEU A 5 56.485 76.536 80.579 1.00 61.93 C -ATOM 73 O LEU A 5 56.500 76.330 81.793 1.00 60.05 O -ATOM 74 CB LEU A 5 54.084 76.735 79.802 1.00 51.64 C -ATOM 75 CG LEU A 5 53.048 76.447 78.702 1.00 59.95 C -ATOM 76 CD1 LEU A 5 51.732 77.135 79.040 1.00 68.25 C -ATOM 77 CD2 LEU A 5 53.513 76.954 77.337 1.00 56.33 C -ATOM 78 H LEU A 5 55.194 74.236 80.938 1.00 71.22 H -ATOM 79 HA LEU A 5 55.753 76.013 78.653 1.00 67.95 H -ATOM 80 HB2 LEU A 5 53.644 76.522 80.775 1.00 61.96 H -ATOM 81 HB3 LEU A 5 54.321 77.798 79.777 1.00 61.96 H -ATOM 82 HG LEU A 5 52.850 75.378 78.642 1.00 71.94 H -ATOM 83 HD11 LEU A 5 50.994 76.916 78.271 1.00 81.89 H -ATOM 84 HD12 LEU A 5 51.362 76.764 79.993 1.00 81.89 H -ATOM 85 HD13 LEU A 5 51.877 78.210 79.107 1.00 81.89 H -ATOM 86 HD21 LEU A 5 52.724 76.811 76.605 1.00 67.59 H -ATOM 87 HD22 LEU A 5 53.762 78.007 77.390 1.00 67.59 H -ATOM 88 HD23 LEU A 5 54.381 76.396 77.005 1.00 67.59 H -ATOM 89 N GLU A 6 57.378 77.333 79.989 1.00 58.98 N -ATOM 90 CA GLU A 6 58.518 77.979 80.662 1.00 59.35 C -ATOM 91 C GLU A 6 58.191 79.370 81.218 1.00 64.48 C -ATOM 92 O GLU A 6 57.241 80.018 80.781 1.00 62.98 O -ATOM 93 CB GLU A 6 59.712 78.108 79.694 1.00 53.39 C -ATOM 94 CG GLU A 6 60.569 76.849 79.621 1.00 58.72 C -ATOM 95 CD GLU A 6 59.733 75.618 79.284 1.00 57.27 C -ATOM 96 OE1 GLU A 6 59.363 75.476 78.101 1.00 50.77 O -ATOM 97 OE2 GLU A 6 59.466 74.812 80.197 1.00 55.85 O -ATOM 98 H GLU A 6 57.289 77.481 78.995 1.00 70.78 H -ATOM 99 HA GLU A 6 58.828 77.362 81.505 1.00 71.23 H -ATOM 100 HB2 GLU A 6 59.352 78.362 78.698 1.00 64.07 H -ATOM 101 HB3 GLU A 6 60.370 78.913 80.020 1.00 64.07 H -ATOM 102 HG2 GLU A 6 61.340 76.998 78.867 1.00 70.46 H -ATOM 103 HG3 GLU A 6 61.073 76.720 80.579 1.00 70.46 H -ATOM 104 N SER A 7 59.043 79.874 82.115 1.00 68.65 N -ATOM 105 CA SER A 7 59.110 81.296 82.476 1.00 76.50 C -ATOM 106 C SER A 7 60.529 81.744 82.881 1.00 75.24 C -ATOM 107 O SER A 7 61.347 80.927 83.313 1.00 66.91 O -ATOM 108 CB SER A 7 58.073 81.598 83.566 1.00 88.09 C -ATOM 109 OG SER A 7 58.042 82.979 83.879 1.00 95.48 O -ATOM 110 H SER A 7 59.776 79.271 82.460 1.00 82.38 H -ATOM 111 HA SER A 7 58.833 81.880 81.599 1.00 91.80 H -ATOM 112 HB2 SER A 7 57.088 81.296 83.212 1.00105.70 H -ATOM 113 HB3 SER A 7 58.300 81.027 84.466 1.00105.70 H -ATOM 114 HG SER A 7 57.331 83.128 84.503 1.00114.58 H -ATOM 115 N GLY A 8 60.804 83.049 82.755 1.00 84.06 N -ATOM 116 CA GLY A 8 62.006 83.754 83.232 1.00 86.40 C -ATOM 117 C GLY A 8 62.876 84.408 82.143 1.00 88.04 C -ATOM 118 O GLY A 8 63.535 85.412 82.404 1.00 84.21 O -ATOM 119 H GLY A 8 60.050 83.631 82.426 1.00100.88 H -ATOM 120 HA2 GLY A 8 61.705 84.529 83.931 1.00103.68 H -ATOM 121 HA3 GLY A 8 62.636 83.052 83.770 1.00103.68 H -ATOM 122 N GLY A 9 62.884 83.859 80.925 1.00 91.13 N -ATOM 123 CA GLY A 9 63.960 84.065 79.939 1.00 84.41 C -ATOM 124 C GLY A 9 64.033 85.407 79.209 1.00 78.32 C -ATOM 125 O GLY A 9 63.139 86.251 79.304 1.00 78.83 O -ATOM 126 H GLY A 9 62.244 83.096 80.764 1.00109.36 H -ATOM 127 HA2 GLY A 9 64.914 83.929 80.447 1.00101.30 H -ATOM 128 HA3 GLY A 9 63.889 83.293 79.174 1.00101.30 H -ATOM 129 N GLY A 10 65.124 85.581 78.453 1.00 75.40 N -ATOM 130 CA GLY A 10 65.436 86.800 77.711 1.00 84.94 C -ATOM 131 C GLY A 10 66.897 87.228 77.862 1.00 81.88 C -ATOM 132 O GLY A 10 67.788 86.644 77.248 1.00 73.60 O -ATOM 133 H GLY A 10 65.771 84.813 78.354 1.00 90.48 H -ATOM 134 HA2 GLY A 10 65.246 86.627 76.653 1.00101.93 H -ATOM 135 HA3 GLY A 10 64.796 87.621 78.033 1.00101.93 H -ATOM 136 N LEU A 11 67.140 88.281 78.645 1.00 82.03 N -ATOM 137 CA LEU A 11 68.413 89.008 78.713 1.00 76.62 C -ATOM 138 C LEU A 11 68.981 89.068 80.136 1.00 72.72 C -ATOM 139 O LEU A 11 68.235 89.139 81.110 1.00 72.46 O -ATOM 140 CB LEU A 11 68.227 90.423 78.142 1.00 85.95 C -ATOM 141 CG LEU A 11 67.760 90.495 76.676 1.00 88.38 C -ATOM 142 CD1 LEU A 11 67.654 91.953 76.240 1.00 86.03 C -ATOM 143 CD2 LEU A 11 68.696 89.772 75.710 1.00 81.89 C -ATOM 144 H LEU A 11 66.366 88.665 79.166 1.00 98.43 H -ATOM 145 HA LEU A 11 69.154 88.496 78.101 1.00 91.94 H -ATOM 146 HB2 LEU A 11 67.499 90.949 78.759 1.00103.14 H -ATOM 147 HB3 LEU A 11 69.172 90.956 78.232 1.00103.14 H -ATOM 148 HG LEU A 11 66.769 90.050 76.593 1.00106.06 H -ATOM 149 HD11 LEU A 11 67.266 92.006 75.224 1.00103.23 H -ATOM 150 HD12 LEU A 11 66.975 92.487 76.901 1.00103.23 H -ATOM 151 HD13 LEU A 11 68.633 92.428 76.271 1.00103.23 H -ATOM 152 HD21 LEU A 11 68.369 89.940 74.685 1.00 98.26 H -ATOM 153 HD22 LEU A 11 69.715 90.139 75.824 1.00 98.26 H -ATOM 154 HD23 LEU A 11 68.663 88.700 75.900 1.00 98.26 H -ATOM 155 N VAL A 12 70.310 89.062 80.237 1.00 72.03 N -ATOM 156 CA VAL A 12 71.106 89.020 81.481 1.00 75.84 C -ATOM 157 C VAL A 12 72.307 89.972 81.390 1.00 68.27 C -ATOM 158 O VAL A 12 72.607 90.462 80.303 1.00 67.64 O -ATOM 159 CB VAL A 12 71.561 87.578 81.812 1.00 73.89 C -ATOM 160 CG1 VAL A 12 70.378 86.676 82.151 1.00 72.65 C -ATOM 161 CG2 VAL A 12 72.352 86.886 80.700 1.00 65.87 C -ATOM 162 H VAL A 12 70.838 89.044 79.377 1.00 86.43 H -ATOM 163 HA VAL A 12 70.492 89.375 82.308 1.00 91.01 H -ATOM 164 HB VAL A 12 72.188 87.624 82.702 1.00 88.67 H -ATOM 165 HG11 VAL A 12 70.738 85.715 82.513 1.00 87.18 H -ATOM 166 HG12 VAL A 12 69.785 87.151 82.931 1.00 87.18 H -ATOM 167 HG13 VAL A 12 69.749 86.517 81.276 1.00 87.18 H -ATOM 168 HG21 VAL A 12 72.660 85.896 81.035 1.00 79.05 H -ATOM 169 HG22 VAL A 12 71.728 86.764 79.815 1.00 79.05 H -ATOM 170 HG23 VAL A 12 73.241 87.467 80.458 1.00 79.05 H -ATOM 171 N GLN A 13 73.001 90.252 82.501 1.00 61.54 N -ATOM 172 CA GLN A 13 74.182 91.133 82.537 1.00 51.05 C -ATOM 173 C GLN A 13 75.379 90.519 83.288 1.00 51.06 C -ATOM 174 O GLN A 13 75.161 89.800 84.264 1.00 54.36 O -ATOM 175 CB GLN A 13 73.809 92.488 83.151 1.00 57.77 C -ATOM 176 CG GLN A 13 72.757 93.262 82.341 1.00 71.64 C -ATOM 177 CD GLN A 13 73.217 93.635 80.932 1.00 77.59 C -ATOM 178 OE1 GLN A 13 74.358 93.456 80.538 1.00 73.96 O -ATOM 179 NE2 GLN A 13 72.353 94.204 80.124 1.00 76.83 N -ATOM 180 H GLN A 13 72.717 89.828 83.372 1.00 73.85 H -ATOM 181 HA GLN A 13 74.499 91.292 81.506 1.00 61.26 H -ATOM 182 HB2 GLN A 13 73.424 92.326 84.157 1.00 69.33 H -ATOM 183 HB3 GLN A 13 74.704 93.102 83.233 1.00 69.33 H -ATOM 184 HG2 GLN A 13 71.838 92.681 82.275 1.00 85.96 H -ATOM 185 HG3 GLN A 13 72.521 94.182 82.875 1.00 85.96 H -ATOM 186 HE21 GLN A 13 72.692 94.498 79.220 1.00 92.20 H -ATOM 187 HE22 GLN A 13 71.415 94.404 80.437 1.00 92.20 H -ATOM 188 N PRO A 14 76.638 90.783 82.873 1.00 47.76 N -ATOM 189 CA PRO A 14 77.846 90.181 83.455 1.00 47.93 C -ATOM 190 C PRO A 14 77.961 90.319 84.976 1.00 51.91 C -ATOM 191 O PRO A 14 77.552 91.325 85.553 1.00 52.31 O -ATOM 192 CB PRO A 14 79.037 90.852 82.766 1.00 41.19 C -ATOM 193 CG PRO A 14 78.469 91.257 81.415 1.00 46.35 C -ATOM 194 CD PRO A 14 77.013 91.596 81.724 1.00 49.75 C -ATOM 195 HA PRO A 14 77.850 89.123 83.194 1.00 57.51 H -ATOM 196 HB2 PRO A 14 79.337 91.746 83.310 1.00 49.43 H -ATOM 197 HB3 PRO A 14 79.879 90.170 82.658 1.00 49.43 H -ATOM 198 HG2 PRO A 14 79.001 92.110 80.996 1.00 55.62 H -ATOM 199 HG3 PRO A 14 78.517 90.409 80.734 1.00 55.62 H -ATOM 200 HD2 PRO A 14 76.924 92.650 81.981 1.00 59.70 H -ATOM 201 HD3 PRO A 14 76.409 91.370 80.846 1.00 59.70 H -ATOM 202 N GLY A 15 78.514 89.301 85.640 1.00 54.78 N -ATOM 203 CA GLY A 15 78.665 89.248 87.101 1.00 52.45 C -ATOM 204 C GLY A 15 77.365 89.136 87.916 1.00 49.69 C -ATOM 205 O GLY A 15 77.417 88.745 89.080 1.00 47.41 O -ATOM 206 H GLY A 15 78.900 88.542 85.100 1.00 65.73 H -ATOM 207 HA2 GLY A 15 79.302 88.403 87.358 1.00 62.94 H -ATOM 208 HA3 GLY A 15 79.176 90.153 87.428 1.00 62.94 H -ATOM 209 N GLY A 16 76.200 89.438 87.339 1.00 53.03 N -ATOM 210 CA GLY A 16 74.897 89.293 87.983 1.00 53.65 C -ATOM 211 C GLY A 16 74.372 87.855 87.972 1.00 57.60 C -ATOM 212 O GLY A 16 75.130 86.888 87.837 1.00 56.49 O -ATOM 213 H GLY A 16 76.216 89.787 86.392 1.00 63.63 H -ATOM 214 HA2 GLY A 16 74.949 89.633 89.017 1.00 64.38 H -ATOM 215 HA3 GLY A 16 74.181 89.925 87.460 1.00 64.38 H -ATOM 216 N SER A 17 73.052 87.712 88.094 1.00 58.11 N -ATOM 217 CA SER A 17 72.357 86.425 88.002 1.00 54.29 C -ATOM 218 C SER A 17 70.898 86.552 87.545 1.00 54.45 C -ATOM 219 O SER A 17 70.292 87.616 87.671 1.00 54.19 O -ATOM 220 CB SER A 17 72.438 85.687 89.349 1.00 58.17 C -ATOM 221 OG SER A 17 71.827 86.416 90.397 1.00 63.57 O -ATOM 222 H SER A 17 72.486 88.538 88.216 1.00 69.73 H -ATOM 223 HA SER A 17 72.880 85.843 87.245 1.00 65.14 H -ATOM 224 HB2 SER A 17 71.955 84.713 89.273 1.00 69.80 H -ATOM 225 HB3 SER A 17 73.486 85.532 89.600 1.00 69.80 H -ATOM 226 HG SER A 17 70.876 86.389 90.287 1.00 76.29 H -ATOM 227 N LEU A 18 70.317 85.457 87.045 1.00 54.71 N -ATOM 228 CA LEU A 18 68.902 85.358 86.656 1.00 51.04 C -ATOM 229 C LEU A 18 68.396 83.901 86.698 1.00 48.47 C -ATOM 230 O LEU A 18 69.184 82.957 86.749 1.00 53.53 O -ATOM 231 CB LEU A 18 68.730 86.013 85.274 1.00 57.80 C -ATOM 232 CG LEU A 18 67.274 86.123 84.776 1.00 67.68 C -ATOM 233 CD1 LEU A 18 66.953 87.511 84.225 1.00 74.97 C -ATOM 234 CD2 LEU A 18 67.010 85.097 83.674 1.00 69.02 C -ATOM 235 H LEU A 18 70.875 84.620 86.972 1.00 65.65 H -ATOM 236 HA LEU A 18 68.308 85.924 87.373 1.00 61.25 H -ATOM 237 HB2 LEU A 18 69.150 87.017 85.325 1.00 69.36 H -ATOM 238 HB3 LEU A 18 69.325 85.453 84.553 1.00 69.36 H -ATOM 239 HG LEU A 18 66.585 85.957 85.604 1.00 81.22 H -ATOM 240 HD11 LEU A 18 65.913 87.546 83.912 1.00 89.96 H -ATOM 241 HD12 LEU A 18 67.107 88.258 85.001 1.00 89.96 H -ATOM 242 HD13 LEU A 18 67.587 87.741 83.373 1.00 89.96 H -ATOM 243 HD21 LEU A 18 65.953 85.104 83.416 1.00 82.82 H -ATOM 244 HD22 LEU A 18 67.594 85.341 82.789 1.00 82.82 H -ATOM 245 HD23 LEU A 18 67.279 84.096 84.005 1.00 82.82 H -ATOM 246 N ARG A 19 67.075 83.717 86.703 1.00 46.48 N -ATOM 247 CA ARG A 19 66.382 82.438 86.857 1.00 51.82 C -ATOM 248 C ARG A 19 65.633 82.022 85.594 1.00 56.76 C -ATOM 249 O ARG A 19 64.958 82.841 84.980 1.00 55.60 O -ATOM 250 CB ARG A 19 65.425 82.595 88.046 1.00 66.16 C -ATOM 251 CG ARG A 19 64.735 81.291 88.483 1.00 71.19 C -ATOM 252 CD ARG A 19 63.780 81.514 89.664 1.00 69.06 C -ATOM 253 NE ARG A 19 64.472 82.058 90.847 1.00 71.75 N -ATOM 254 CZ ARG A 19 63.979 82.869 91.761 1.00 74.31 C -ATOM 255 NH1 ARG A 19 64.765 83.305 92.691 1.00 76.81 N -ATOM 256 NH2 ARG A 19 62.738 83.253 91.782 1.00 79.19 N -ATOM 257 H ARG A 19 66.494 84.539 86.635 1.00 55.77 H -ATOM 258 HA ARG A 19 67.108 81.660 87.093 1.00 62.18 H -ATOM 259 HB2 ARG A 19 65.996 82.984 88.888 1.00 79.39 H -ATOM 260 HB3 ARG A 19 64.661 83.328 87.794 1.00 79.39 H -ATOM 261 HG2 ARG A 19 64.154 80.892 87.653 1.00 85.43 H -ATOM 262 HG3 ARG A 19 65.485 80.554 88.766 1.00 85.43 H -ATOM 263 HD2 ARG A 19 62.995 82.197 89.341 1.00 82.87 H -ATOM 264 HD3 ARG A 19 63.320 80.562 89.924 1.00 82.87 H -ATOM 265 HE ARG A 19 65.445 81.829 90.985 1.00 86.10 H -ATOM 266 HH11 ARG A 19 65.725 82.993 92.668 1.00 92.18 H -ATOM 267 HH12 ARG A 19 64.428 83.927 93.410 1.00 92.18 H -ATOM 268 HH21 ARG A 19 62.103 82.903 91.080 1.00 95.02 H -ATOM 269 HH22 ARG A 19 62.409 83.862 92.515 1.00 95.02 H -ATOM 270 N LEU A 20 65.670 80.728 85.285 1.00 63.58 N -ATOM 271 CA LEU A 20 64.747 80.046 84.374 1.00 63.01 C -ATOM 272 C LEU A 20 63.896 79.023 85.123 1.00 57.50 C -ATOM 273 O LEU A 20 64.290 78.482 86.153 1.00 61.56 O -ATOM 274 CB LEU A 20 65.499 79.329 83.245 1.00 63.16 C -ATOM 275 CG LEU A 20 66.113 80.232 82.168 1.00 69.19 C -ATOM 276 CD1 LEU A 20 66.551 79.364 80.986 1.00 61.77 C -ATOM 277 CD2 LEU A 20 65.113 81.244 81.615 1.00 73.61 C -ATOM 278 H LEU A 20 66.237 80.135 85.873 1.00 76.30 H -ATOM 279 HA LEU A 20 64.048 80.765 83.947 1.00 75.61 H -ATOM 280 HB2 LEU A 20 66.284 78.710 83.678 1.00 75.79 H -ATOM 281 HB3 LEU A 20 64.795 78.662 82.748 1.00 75.79 H -ATOM 282 HG LEU A 20 66.974 80.757 82.577 1.00 83.03 H -ATOM 283 HD11 LEU A 20 67.076 79.974 80.252 1.00 74.12 H -ATOM 284 HD12 LEU A 20 67.217 78.574 81.328 1.00 74.12 H -ATOM 285 HD13 LEU A 20 65.685 78.906 80.513 1.00 74.12 H -ATOM 286 HD21 LEU A 20 65.545 81.732 80.743 1.00 88.33 H -ATOM 287 HD22 LEU A 20 64.189 80.743 81.331 1.00 88.33 H -ATOM 288 HD23 LEU A 20 64.908 82.009 82.362 1.00 88.33 H -ATOM 289 N SER A 21 62.707 78.753 84.603 1.00 63.02 N -ATOM 290 CA SER A 21 61.733 77.884 85.252 1.00 64.35 C -ATOM 291 C SER A 21 60.811 77.195 84.256 1.00 64.56 C -ATOM 292 O SER A 21 60.581 77.715 83.165 1.00 70.75 O -ATOM 293 CB SER A 21 60.902 78.727 86.211 1.00 70.33 C -ATOM 294 OG SER A 21 60.137 79.662 85.483 1.00 68.91 O -ATOM 295 H SER A 21 62.426 79.224 83.756 1.00 75.63 H -ATOM 296 HA SER A 21 62.259 77.114 85.816 1.00 77.22 H -ATOM 297 HB2 SER A 21 60.235 78.079 86.778 1.00 84.40 H -ATOM 298 HB3 SER A 21 61.563 79.253 86.898 1.00 84.40 H -ATOM 299 HG SER A 21 60.714 80.097 84.853 1.00 82.70 H -ATOM 300 N CYS A 22 60.257 76.050 84.654 1.00 65.69 N -ATOM 301 CA CYS A 22 59.407 75.189 83.833 1.00 61.86 C -ATOM 302 C CYS A 22 58.204 74.687 84.627 1.00 63.90 C -ATOM 303 O CYS A 22 58.364 74.280 85.775 1.00 68.12 O -ATOM 304 CB CYS A 22 60.240 73.999 83.355 1.00 61.57 C -ATOM 305 SG CYS A 22 61.636 74.591 82.374 1.00 58.47 S -ATOM 306 H CYS A 22 60.524 75.694 85.561 1.00 78.83 H -ATOM 307 HA CYS A 22 59.044 75.733 82.961 1.00 74.23 H -ATOM 308 HB2 CYS A 22 60.610 73.440 84.214 1.00 73.89 H -ATOM 309 HB3 CYS A 22 59.627 73.340 82.741 1.00 73.89 H -ATOM 310 HG CYS A 22 60.890 74.887 81.314 1.00 70.17 H -ATOM 311 N ALA A 23 57.014 74.670 84.033 1.00 60.40 N -ATOM 312 CA ALA A 23 55.767 74.240 84.658 1.00 63.25 C -ATOM 313 C ALA A 23 54.999 73.252 83.766 1.00 66.27 C -ATOM 314 O ALA A 23 54.932 73.439 82.555 1.00 64.41 O -ATOM 315 CB ALA A 23 54.923 75.485 84.942 1.00 68.45 C -ATOM 316 H ALA A 23 56.938 75.049 83.101 1.00 72.47 H -ATOM 317 HA ALA A 23 55.985 73.742 85.602 1.00 75.90 H -ATOM 318 HB1 ALA A 23 54.021 75.201 85.482 1.00 82.14 H -ATOM 319 HB2 ALA A 23 55.485 76.201 85.540 1.00 82.14 H -ATOM 320 HB3 ALA A 23 54.640 75.962 84.004 1.00 82.14 H -ATOM 321 N ALA A 24 54.405 72.210 84.351 1.00 71.36 N -ATOM 322 CA ALA A 24 53.628 71.197 83.629 1.00 72.52 C -ATOM 323 C ALA A 24 52.132 71.531 83.502 1.00 74.47 C -ATOM 324 O ALA A 24 51.565 72.211 84.357 1.00 78.84 O -ATOM 325 CB ALA A 24 53.821 69.850 84.323 1.00 72.59 C -ATOM 326 H ALA A 24 54.471 72.126 85.354 1.00 85.63 H -ATOM 327 HA ALA A 24 54.020 71.110 82.616 1.00 87.03 H -ATOM 328 HB1 ALA A 24 53.275 69.078 83.783 1.00 87.11 H -ATOM 329 HB2 ALA A 24 54.878 69.590 84.339 1.00 87.11 H -ATOM 330 HB3 ALA A 24 53.435 69.900 85.340 1.00 87.11 H -ATOM 331 N SER A 25 51.474 71.016 82.459 1.00 73.34 N -ATOM 332 CA SER A 25 50.033 71.182 82.235 1.00 75.37 C -ATOM 333 C SER A 25 49.431 69.999 81.468 1.00 77.56 C -ATOM 334 O SER A 25 50.128 69.285 80.744 1.00 78.66 O -ATOM 335 CB SER A 25 49.769 72.509 81.513 1.00 81.74 C -ATOM 336 OG SER A 25 50.183 72.457 80.160 1.00 79.55 O -ATOM 337 H SER A 25 51.979 70.476 81.772 1.00 88.00 H -ATOM 338 HA SER A 25 49.532 71.228 83.202 1.00 90.45 H -ATOM 339 HB2 SER A 25 48.703 72.730 81.546 1.00 98.09 H -ATOM 340 HB3 SER A 25 50.300 73.310 82.024 1.00 98.09 H -ATOM 341 HG SER A 25 51.033 72.015 80.118 1.00 95.46 H -ATOM 342 N GLY A 26 48.129 69.771 81.637 1.00 79.89 N -ATOM 343 CA GLY A 26 47.383 68.664 81.022 1.00 84.83 C -ATOM 344 C GLY A 26 47.639 67.281 81.648 1.00 84.36 C -ATOM 345 O GLY A 26 46.772 66.413 81.539 1.00 86.25 O -ATOM 346 H GLY A 26 47.615 70.390 82.246 1.00 95.87 H -ATOM 347 HA2 GLY A 26 46.317 68.875 81.097 1.00101.79 H -ATOM 348 HA3 GLY A 26 47.639 68.609 79.965 1.00101.79 H -ATOM 349 N PHE A 27 48.761 67.088 82.357 1.00 74.94 N -ATOM 350 CA PHE A 27 49.047 65.912 83.187 1.00 79.90 C -ATOM 351 C PHE A 27 49.347 66.311 84.640 1.00 71.01 C -ATOM 352 O PHE A 27 49.843 67.405 84.915 1.00 69.33 O -ATOM 353 CB PHE A 27 50.118 65.011 82.531 1.00 86.70 C -ATOM 354 CG PHE A 27 51.601 65.274 82.818 1.00 92.66 C -ATOM 355 CD1 PHE A 27 52.252 66.403 82.281 1.00 84.47 C -ATOM 356 CD2 PHE A 27 52.360 64.340 83.562 1.00 83.61 C -ATOM 357 CE1 PHE A 27 53.627 66.605 82.517 1.00 67.58 C -ATOM 358 CE2 PHE A 27 53.737 64.537 83.778 1.00 82.26 C -ATOM 359 CZ PHE A 27 54.368 65.679 83.268 1.00 71.15 C -ATOM 360 H PHE A 27 49.434 67.840 82.378 1.00 89.92 H -ATOM 361 HA PHE A 27 48.139 65.311 83.229 1.00 95.88 H -ATOM 362 HB2 PHE A 27 49.903 63.991 82.847 1.00104.03 H -ATOM 363 HB3 PHE A 27 49.972 65.025 81.452 1.00104.03 H -ATOM 364 HD1 PHE A 27 51.701 67.110 81.681 1.00101.36 H -ATOM 365 HD2 PHE A 27 51.886 63.454 83.957 1.00100.33 H -ATOM 366 HE1 PHE A 27 54.118 67.475 82.107 1.00 81.09 H -ATOM 367 HE2 PHE A 27 54.307 63.804 84.329 1.00 98.71 H -ATOM 368 HZ PHE A 27 55.422 65.839 83.437 1.00 85.38 H -ATOM 369 N SER A 28 49.026 65.432 85.588 1.00 72.69 N -ATOM 370 CA SER A 28 49.379 65.605 87.001 1.00 71.52 C -ATOM 371 C SER A 28 50.823 65.166 87.230 1.00 73.22 C -ATOM 372 O SER A 28 51.095 64.038 87.638 1.00 78.70 O -ATOM 373 CB SER A 28 48.417 64.837 87.908 1.00 73.22 C -ATOM 374 OG SER A 28 47.125 65.406 87.804 1.00 76.64 O -ATOM 375 H SER A 28 48.578 64.572 85.313 1.00 87.22 H -ATOM 376 HA SER A 28 49.303 66.658 87.271 1.00 85.83 H -ATOM 377 HB2 SER A 28 48.384 63.789 87.614 1.00 87.87 H -ATOM 378 HB3 SER A 28 48.756 64.909 88.940 1.00 87.87 H -ATOM 379 HG SER A 28 46.539 64.922 88.388 1.00 91.97 H -ATOM 380 N PHE A 29 51.760 66.061 86.924 1.00 75.87 N -ATOM 381 CA PHE A 29 53.206 65.821 86.962 1.00 70.06 C -ATOM 382 C PHE A 29 53.700 65.408 88.355 1.00 71.18 C -ATOM 383 O PHE A 29 54.547 64.523 88.456 1.00 68.91 O -ATOM 384 CB PHE A 29 53.861 67.096 86.430 1.00 69.72 C -ATOM 385 CG PHE A 29 55.366 67.221 86.499 1.00 65.27 C -ATOM 386 CD1 PHE A 29 56.211 66.125 86.271 1.00 60.05 C -ATOM 387 CD2 PHE A 29 55.927 68.495 86.691 1.00 67.88 C -ATOM 388 CE1 PHE A 29 57.607 66.305 86.237 1.00 59.03 C -ATOM 389 CE2 PHE A 29 57.311 68.681 86.610 1.00 63.05 C -ATOM 390 CZ PHE A 29 58.157 67.586 86.391 1.00 58.60 C -ATOM 391 H PHE A 29 51.443 66.946 86.557 1.00 91.04 H -ATOM 392 HA PHE A 29 53.443 64.997 86.291 1.00 84.07 H -ATOM 393 HB2 PHE A 29 53.567 67.208 85.387 1.00 83.66 H -ATOM 394 HB3 PHE A 29 53.438 67.947 86.964 1.00 83.66 H -ATOM 395 HD1 PHE A 29 55.787 65.151 86.078 1.00 72.06 H -ATOM 396 HD2 PHE A 29 55.288 69.354 86.833 1.00 81.45 H -ATOM 397 HE1 PHE A 29 58.262 65.470 86.040 1.00 70.83 H -ATOM 398 HE2 PHE A 29 57.713 69.681 86.668 1.00 75.66 H -ATOM 399 HZ PHE A 29 59.224 67.732 86.318 1.00 70.32 H -ATOM 400 N SER A 30 53.089 65.965 89.406 1.00 71.17 N -ATOM 401 CA SER A 30 52.961 65.439 90.777 1.00 74.31 C -ATOM 402 C SER A 30 54.251 65.156 91.568 1.00 78.71 C -ATOM 403 O SER A 30 54.429 65.728 92.643 1.00 76.00 O -ATOM 404 CB SER A 30 52.037 64.218 90.759 1.00 73.85 C -ATOM 405 OG SER A 30 51.787 63.741 92.067 1.00 83.14 O -ATOM 406 H SER A 30 52.515 66.767 89.195 1.00 85.40 H -ATOM 407 HA SER A 30 52.436 66.207 91.343 1.00 89.17 H -ATOM 408 HB2 SER A 30 51.091 64.486 90.289 1.00 88.62 H -ATOM 409 HB3 SER A 30 52.502 63.425 90.174 1.00 88.62 H -ATOM 410 HG SER A 30 51.138 64.315 92.479 1.00 99.77 H -ATOM 411 N SER A 31 55.161 64.309 91.073 1.00 73.66 N -ATOM 412 CA SER A 31 56.424 63.938 91.743 1.00 69.01 C -ATOM 413 C SER A 31 57.555 63.508 90.808 1.00 64.94 C -ATOM 414 O SER A 31 58.654 63.240 91.287 1.00 66.44 O -ATOM 415 CB SER A 31 56.176 62.799 92.736 1.00 69.64 C -ATOM 416 OG SER A 31 55.862 61.593 92.059 1.00 67.51 O -ATOM 417 H SER A 31 54.942 63.881 90.186 1.00 88.39 H -ATOM 418 HA SER A 31 56.787 64.796 92.308 1.00 82.81 H -ATOM 419 HB2 SER A 31 57.060 62.650 93.354 1.00 83.57 H -ATOM 420 HB3 SER A 31 55.348 63.070 93.389 1.00 83.57 H -ATOM 421 HG SER A 31 56.680 61.150 91.827 1.00 81.02 H -ATOM 422 N TYR A 32 57.321 63.383 89.502 1.00 64.45 N -ATOM 423 CA TYR A 32 58.328 62.859 88.577 1.00 57.63 C -ATOM 424 C TYR A 32 59.606 63.722 88.553 1.00 47.50 C -ATOM 425 O TYR A 32 59.530 64.943 88.440 1.00 51.81 O -ATOM 426 CB TYR A 32 57.699 62.768 87.186 1.00 65.76 C -ATOM 427 CG TYR A 32 56.687 61.653 86.966 1.00 70.85 C -ATOM 428 CD1 TYR A 32 57.093 60.312 87.072 1.00 71.95 C -ATOM 429 CD2 TYR A 32 55.373 61.940 86.550 1.00 64.23 C -ATOM 430 CE1 TYR A 32 56.233 59.267 86.699 1.00 75.72 C -ATOM 431 CE2 TYR A 32 54.497 60.895 86.193 1.00 67.39 C -ATOM 432 CZ TYR A 32 54.936 59.554 86.245 1.00 73.09 C -ATOM 433 OH TYR A 32 54.123 58.536 85.865 1.00 74.37 O -ATOM 434 H TYR A 32 56.418 63.636 89.129 1.00 77.34 H -ATOM 435 HA TYR A 32 58.609 61.856 88.897 1.00 69.15 H -ATOM 436 HB2 TYR A 32 57.214 63.720 86.977 1.00 78.91 H -ATOM 437 HB3 TYR A 32 58.494 62.655 86.450 1.00 78.91 H -ATOM 438 HD1 TYR A 32 58.087 60.075 87.418 1.00 86.35 H -ATOM 439 HD2 TYR A 32 55.039 62.964 86.475 1.00 77.07 H -ATOM 440 HE1 TYR A 32 56.563 58.241 86.753 1.00 90.86 H -ATOM 441 HE2 TYR A 32 53.496 61.122 85.860 1.00 80.87 H -ATOM 442 HH TYR A 32 53.238 58.847 85.669 1.00 89.24 H -ATOM 443 N ALA A 33 60.776 63.095 88.655 1.00 37.74 N -ATOM 444 CA ALA A 33 62.088 63.730 88.615 1.00 34.47 C -ATOM 445 C ALA A 33 62.325 64.528 87.325 1.00 38.51 C -ATOM 446 O ALA A 33 61.746 64.211 86.288 1.00 43.73 O -ATOM 447 CB ALA A 33 63.141 62.631 88.773 1.00 35.93 C -ATOM 448 H ALA A 33 60.759 62.088 88.727 1.00 45.29 H -ATOM 449 HA ALA A 33 62.163 64.417 89.458 1.00 41.36 H -ATOM 450 HB1 ALA A 33 64.130 63.080 88.827 1.00 43.11 H -ATOM 451 HB2 ALA A 33 62.957 62.069 89.686 1.00 43.11 H -ATOM 452 HB3 ALA A 33 63.107 61.952 87.924 1.00 43.11 H -ATOM 453 N MET A 34 63.199 65.539 87.362 1.00 32.63 N -ATOM 454 CA MET A 34 63.425 66.434 86.223 1.00 35.42 C -ATOM 455 C MET A 34 64.904 66.735 85.941 1.00 31.50 C -ATOM 456 O MET A 34 65.671 66.991 86.862 1.00 31.91 O -ATOM 457 CB MET A 34 62.654 67.732 86.447 1.00 38.34 C -ATOM 458 CG MET A 34 62.468 68.485 85.130 1.00 48.60 C -ATOM 459 SD MET A 34 61.689 70.114 85.270 1.00 71.87 S -ATOM 460 CE MET A 34 63.131 71.166 85.545 1.00 63.36 C -ATOM 461 H MET A 34 63.708 65.718 88.215 1.00 39.15 H -ATOM 462 HA MET A 34 63.018 65.961 85.330 1.00 42.50 H -ATOM 463 HB2 MET A 34 61.668 67.510 86.853 1.00 46.01 H -ATOM 464 HB3 MET A 34 63.195 68.358 87.155 1.00 46.01 H -ATOM 465 HG2 MET A 34 63.428 68.612 84.633 1.00 58.31 H -ATOM 466 HG3 MET A 34 61.836 67.873 84.487 1.00 58.31 H -ATOM 467 HE1 MET A 34 63.565 70.938 86.517 1.00 76.04 H -ATOM 468 HE2 MET A 34 63.875 70.984 84.771 1.00 76.04 H -ATOM 469 HE3 MET A 34 62.830 72.211 85.514 1.00 76.04 H -ATOM 470 N SER A 35 65.293 66.790 84.667 1.00 29.07 N -ATOM 471 CA SER A 35 66.658 67.097 84.217 1.00 27.59 C -ATOM 472 C SER A 35 66.683 68.283 83.241 1.00 35.50 C -ATOM 473 O SER A 35 65.740 68.472 82.474 1.00 33.77 O -ATOM 474 CB SER A 35 67.282 65.860 83.570 1.00 27.09 C -ATOM 475 OG SER A 35 67.408 64.786 84.489 1.00 31.15 O -ATOM 476 H SER A 35 64.605 66.593 83.956 1.00 34.88 H -ATOM 477 HA SER A 35 67.276 67.363 85.074 1.00 33.11 H -ATOM 478 HB2 SER A 35 66.657 65.550 82.734 1.00 32.51 H -ATOM 479 HB3 SER A 35 68.269 66.114 83.185 1.00 32.51 H -ATOM 480 HG SER A 35 67.302 63.976 83.991 1.00 37.39 H -ATOM 481 N TRP A 36 67.763 69.070 83.254 1.00 34.09 N -ATOM 482 CA TRP A 36 67.983 70.289 82.454 1.00 30.33 C -ATOM 483 C TRP A 36 68.956 70.055 81.308 1.00 28.50 C -ATOM 484 O TRP A 36 69.961 69.376 81.510 1.00 33.33 O -ATOM 485 CB TRP A 36 68.585 71.375 83.346 1.00 30.79 C -ATOM 486 CG TRP A 36 67.621 72.008 84.275 1.00 33.64 C -ATOM 487 CD1 TRP A 36 67.153 71.446 85.403 1.00 39.71 C -ATOM 488 CD2 TRP A 36 66.898 73.261 84.110 1.00 30.25 C -ATOM 489 NE1 TRP A 36 66.188 72.264 85.948 1.00 46.99 N -ATOM 490 CE2 TRP A 36 65.943 73.363 85.158 1.00 39.01 C -ATOM 491 CE3 TRP A 36 66.916 74.301 83.162 1.00 33.41 C -ATOM 492 CZ2 TRP A 36 65.016 74.412 85.234 1.00 50.90 C -ATOM 493 CZ3 TRP A 36 66.001 75.368 83.233 1.00 43.05 C -ATOM 494 CH2 TRP A 36 65.042 75.419 84.259 1.00 50.33 C -ATOM 495 H TRP A 36 68.521 68.781 83.854 1.00 40.91 H -ATOM 496 HA TRP A 36 67.042 70.651 82.041 1.00 36.40 H -ATOM 497 HB2 TRP A 36 69.418 70.967 83.916 1.00 36.95 H -ATOM 498 HB3 TRP A 36 68.975 72.171 82.712 1.00 36.95 H -ATOM 499 HD1 TRP A 36 67.459 70.490 85.797 1.00 47.65 H -ATOM 500 HE1 TRP A 36 65.708 72.052 86.809 1.00 56.39 H -ATOM 501 HE3 TRP A 36 67.622 74.255 82.347 1.00 40.09 H -ATOM 502 HZ2 TRP A 36 64.288 74.437 86.031 1.00 61.08 H -ATOM 503 HZ3 TRP A 36 66.020 76.143 82.483 1.00 51.66 H -ATOM 504 HH2 TRP A 36 64.330 76.230 84.296 1.00 60.39 H -ATOM 505 N VAL A 37 68.726 70.669 80.150 1.00 23.04 N -ATOM 506 CA VAL A 37 69.563 70.541 78.948 1.00 23.36 C -ATOM 507 C VAL A 37 69.680 71.867 78.183 1.00 24.56 C -ATOM 508 O VAL A 37 68.745 72.663 78.166 1.00 24.07 O -ATOM 509 CB VAL A 37 68.990 69.402 78.088 1.00 22.80 C -ATOM 510 CG1 VAL A 37 69.204 69.517 76.580 1.00 28.99 C -ATOM 511 CG2 VAL A 37 69.526 68.039 78.551 1.00 21.35 C -ATOM 512 H VAL A 37 67.880 71.211 80.055 1.00 27.65 H -ATOM 513 HA VAL A 37 70.575 70.269 79.248 1.00 28.03 H -ATOM 514 HB VAL A 37 67.909 69.410 78.228 1.00 27.36 H -ATOM 515 HG11 VAL A 37 68.739 68.663 76.089 1.00 34.78 H -ATOM 516 HG12 VAL A 37 68.723 70.419 76.203 1.00 34.78 H -ATOM 517 HG13 VAL A 37 70.261 69.537 76.318 1.00 34.78 H -ATOM 518 HG21 VAL A 37 69.217 67.249 77.868 1.00 25.63 H -ATOM 519 HG22 VAL A 37 70.614 68.044 78.582 1.00 25.63 H -ATOM 520 HG23 VAL A 37 69.144 67.806 79.544 1.00 25.63 H -ATOM 521 N ARG A 38 70.828 72.113 77.535 1.00 26.69 N -ATOM 522 CA ARG A 38 71.134 73.310 76.721 1.00 27.72 C -ATOM 523 C ARG A 38 71.032 73.003 75.229 1.00 30.16 C -ATOM 524 O ARG A 38 71.350 71.892 74.815 1.00 29.13 O -ATOM 525 CB ARG A 38 72.544 73.838 77.071 1.00 28.82 C -ATOM 526 CG ARG A 38 73.002 75.019 76.194 1.00 31.25 C -ATOM 527 CD ARG A 38 74.407 75.543 76.484 1.00 28.91 C -ATOM 528 NE ARG A 38 74.524 76.150 77.815 1.00 27.57 N -ATOM 529 CZ ARG A 38 75.264 75.732 78.818 1.00 32.52 C -ATOM 530 NH1 ARG A 38 75.292 76.435 79.908 1.00 30.63 N -ATOM 531 NH2 ARG A 38 75.961 74.637 78.782 1.00 37.76 N -ATOM 532 H ARG A 38 71.515 71.374 77.548 1.00 32.03 H -ATOM 533 HA ARG A 38 70.412 74.096 76.940 1.00 33.26 H -ATOM 534 HB2 ARG A 38 72.547 74.164 78.111 1.00 34.59 H -ATOM 535 HB3 ARG A 38 73.265 73.029 76.969 1.00 34.59 H -ATOM 536 HG2 ARG A 38 73.030 74.702 75.152 1.00 37.50 H -ATOM 537 HG3 ARG A 38 72.291 75.838 76.294 1.00 37.50 H -ATOM 538 HD2 ARG A 38 75.127 74.737 76.347 1.00 34.69 H -ATOM 539 HD3 ARG A 38 74.643 76.301 75.737 1.00 34.69 H -ATOM 540 HE ARG A 38 74.026 77.013 77.971 1.00 33.09 H -ATOM 541 HH11 ARG A 38 74.754 77.286 79.969 1.00 36.76 H -ATOM 542 HH12 ARG A 38 75.832 76.132 80.704 1.00 36.76 H -ATOM 543 HH21 ARG A 38 75.949 74.046 77.964 1.00 45.31 H -ATOM 544 HH22 ARG A 38 76.530 74.370 79.570 1.00 45.31 H -ATOM 545 N GLN A 39 70.698 74.009 74.420 1.00 31.76 N -ATOM 546 CA GLN A 39 70.929 74.042 72.971 1.00 34.95 C -ATOM 547 C GLN A 39 71.653 75.336 72.561 1.00 37.63 C -ATOM 548 O GLN A 39 71.581 76.352 73.251 1.00 41.00 O -ATOM 549 CB GLN A 39 69.604 73.824 72.209 1.00 35.74 C -ATOM 550 CG GLN A 39 69.766 73.790 70.676 1.00 34.61 C -ATOM 551 CD GLN A 39 68.554 73.219 69.944 1.00 32.84 C -ATOM 552 OE1 GLN A 39 67.411 73.530 70.245 1.00 32.15 O -ATOM 553 NE2 GLN A 39 68.745 72.420 68.922 1.00 33.43 N -ATOM 554 H GLN A 39 70.455 74.888 74.855 1.00 38.12 H -ATOM 555 HA GLN A 39 71.589 73.216 72.709 1.00 41.94 H -ATOM 556 HB2 GLN A 39 69.192 72.867 72.528 1.00 42.89 H -ATOM 557 HB3 GLN A 39 68.895 74.606 72.475 1.00 42.89 H -ATOM 558 HG2 GLN A 39 69.928 74.801 70.305 1.00 41.54 H -ATOM 559 HG3 GLN A 39 70.643 73.195 70.420 1.00 41.54 H -ATOM 560 HE21 GLN A 39 67.939 72.046 68.444 1.00 40.12 H -ATOM 561 HE22 GLN A 39 69.682 72.114 68.702 1.00 40.12 H -ATOM 562 N ALA A 40 72.347 75.291 71.428 1.00 37.50 N -ATOM 563 CA ALA A 40 73.032 76.404 70.777 1.00 34.73 C -ATOM 564 C ALA A 40 72.735 76.385 69.264 1.00 35.20 C -ATOM 565 O ALA A 40 72.212 75.386 68.764 1.00 40.36 O -ATOM 566 CB ALA A 40 74.532 76.268 71.073 1.00 37.64 C -ATOM 567 H ALA A 40 72.339 74.426 70.908 1.00 45.00 H -ATOM 568 HA ALA A 40 72.674 77.346 71.190 1.00 41.68 H -ATOM 569 HB1 ALA A 40 75.092 77.073 70.605 1.00 45.17 H -ATOM 570 HB2 ALA A 40 74.696 76.316 72.145 1.00 45.17 H -ATOM 571 HB3 ALA A 40 74.903 75.319 70.699 1.00 45.17 H -ATOM 572 N PRO A 41 73.047 77.444 68.503 1.00 32.01 N -ATOM 573 CA PRO A 41 72.875 77.444 67.055 1.00 27.40 C -ATOM 574 C PRO A 41 73.623 76.293 66.371 1.00 37.07 C -ATOM 575 O PRO A 41 74.786 76.027 66.666 1.00 40.68 O -ATOM 576 CB PRO A 41 73.386 78.808 66.581 1.00 62.11 C -ATOM 577 CG PRO A 41 73.200 79.699 67.804 1.00 24.93 C -ATOM 578 CD PRO A 41 73.493 78.747 68.958 1.00 33.70 C -ATOM 579 HA PRO A 41 71.811 77.370 66.835 1.00 32.88 H -ATOM 580 HB2 PRO A 41 74.446 78.758 66.338 1.00 74.53 H -ATOM 581 HB3 PRO A 41 72.819 79.174 65.726 1.00 74.53 H -ATOM 582 HG2 PRO A 41 73.882 80.547 67.796 1.00 29.92 H -ATOM 583 HG3 PRO A 41 72.165 80.034 67.859 1.00 29.92 H -ATOM 584 HD2 PRO A 41 74.566 78.723 69.142 1.00 40.44 H -ATOM 585 HD3 PRO A 41 72.962 79.071 69.852 1.00 40.44 H -ATOM 586 N GLY A 42 72.972 75.617 65.431 1.00 36.34 N -ATOM 587 CA GLY A 42 73.614 74.623 64.565 1.00 41.68 C -ATOM 588 C GLY A 42 74.043 73.308 65.231 1.00 44.37 C -ATOM 589 O GLY A 42 74.843 72.573 64.653 1.00 49.11 O -ATOM 590 H GLY A 42 72.015 75.870 65.234 1.00 43.61 H -ATOM 591 HA2 GLY A 42 72.916 74.370 63.770 1.00 50.02 H -ATOM 592 HA3 GLY A 42 74.493 75.071 64.106 1.00 50.02 H -ATOM 593 N LYS A 43 73.526 72.983 66.419 1.00 44.48 N -ATOM 594 CA LYS A 43 73.783 71.720 67.138 1.00 45.87 C -ATOM 595 C LYS A 43 72.495 71.151 67.746 1.00 42.45 C -ATOM 596 O LYS A 43 71.497 71.852 67.913 1.00 40.07 O -ATOM 597 CB LYS A 43 74.850 71.934 68.233 1.00 53.99 C -ATOM 598 CG LYS A 43 76.258 72.317 67.749 1.00 62.15 C -ATOM 599 CD LYS A 43 76.951 71.181 66.990 1.00 56.92 C -ATOM 600 CE LYS A 43 78.332 71.629 66.509 1.00 63.09 C -ATOM 601 NZ LYS A 43 79.024 70.538 65.781 1.00 71.63 N -ATOM 602 H LYS A 43 72.879 73.636 66.835 1.00 53.37 H -ATOM 603 HA LYS A 43 74.141 70.969 66.434 1.00 55.05 H -ATOM 604 HB2 LYS A 43 74.502 72.722 68.900 1.00 64.78 H -ATOM 605 HB3 LYS A 43 74.940 71.027 68.830 1.00 64.78 H -ATOM 606 HG2 LYS A 43 76.203 73.203 67.118 1.00 74.58 H -ATOM 607 HG3 LYS A 43 76.861 72.564 68.622 1.00 74.58 H -ATOM 608 HD2 LYS A 43 77.057 70.324 67.654 1.00 68.30 H -ATOM 609 HD3 LYS A 43 76.353 70.892 66.127 1.00 68.30 H -ATOM 610 HE2 LYS A 43 78.216 72.496 65.861 1.00 75.70 H -ATOM 611 HE3 LYS A 43 78.917 71.933 67.376 1.00 75.70 H -ATOM 612 HZ1 LYS A 43 79.942 70.825 65.482 1.00 85.96 H -ATOM 613 HZ2 LYS A 43 79.134 69.726 66.365 1.00 85.96 H -ATOM 614 HZ3 LYS A 43 78.513 70.264 64.958 1.00 85.96 H -ATOM 615 N GLY A 44 72.526 69.871 68.101 1.00 39.83 N -ATOM 616 CA GLY A 44 71.438 69.201 68.808 1.00 29.66 C -ATOM 617 C GLY A 44 71.289 69.680 70.251 1.00 20.29 C -ATOM 618 O GLY A 44 70.597 70.656 70.510 1.00 32.67 O -ATOM 619 H GLY A 44 73.373 69.352 67.923 1.00 47.80 H -ATOM 620 HA2 GLY A 44 70.497 69.388 68.292 1.00 35.59 H -ATOM 621 HA3 GLY A 44 71.607 68.125 68.802 1.00 35.59 H -ATOM 622 N LEU A 45 71.879 68.954 71.202 1.00 19.47 N -ATOM 623 CA LEU A 45 71.549 69.029 72.629 1.00 14.72 C -ATOM 624 C LEU A 45 72.745 68.660 73.538 1.00 24.08 C -ATOM 625 O LEU A 45 73.650 67.948 73.110 1.00 19.46 O -ATOM 626 CB LEU A 45 70.355 68.076 72.872 1.00 17.67 C -ATOM 627 CG LEU A 45 69.017 68.485 72.226 1.00 1.92 C -ATOM 628 CD1 LEU A 45 67.986 67.374 72.350 1.00 0.28 C -ATOM 629 CD2 LEU A 45 68.452 69.740 72.878 1.00 16.27 C -ATOM 630 H LEU A 45 72.491 68.203 70.919 1.00 23.37 H -ATOM 631 HA LEU A 45 71.263 70.049 72.887 1.00 17.66 H -ATOM 632 HB2 LEU A 45 70.630 67.091 72.500 1.00 21.20 H -ATOM 633 HB3 LEU A 45 70.197 67.984 73.945 1.00 21.20 H -ATOM 634 HG LEU A 45 69.136 68.664 71.158 1.00 2.30 H -ATOM 635 HD11 LEU A 45 66.979 67.762 72.206 1.00 0.34 H -ATOM 636 HD12 LEU A 45 68.174 66.645 71.563 1.00 0.34 H -ATOM 637 HD13 LEU A 45 68.041 66.909 73.334 1.00 0.34 H -ATOM 638 HD21 LEU A 45 67.548 70.056 72.358 1.00 19.53 H -ATOM 639 HD22 LEU A 45 68.209 69.538 73.920 1.00 19.53 H -ATOM 640 HD23 LEU A 45 69.176 70.552 72.822 1.00 19.53 H -ATOM 641 N GLU A 46 72.744 69.098 74.803 1.00 19.58 N -ATOM 642 CA GLU A 46 73.662 68.635 75.865 1.00 18.22 C -ATOM 643 C GLU A 46 73.079 68.730 77.293 1.00 22.34 C -ATOM 644 O GLU A 46 72.280 69.610 77.599 1.00 23.91 O -ATOM 645 CB GLU A 46 74.984 69.410 75.804 1.00 19.47 C -ATOM 646 CG GLU A 46 74.817 70.887 76.196 1.00 22.51 C -ATOM 647 CD GLU A 46 76.119 71.680 76.122 1.00 28.98 C -ATOM 648 OE1 GLU A 46 77.034 71.293 75.364 1.00 39.15 O -ATOM 649 OE2 GLU A 46 76.229 72.718 76.810 1.00 29.02 O -ATOM 650 H GLU A 46 72.043 69.774 75.068 1.00 23.50 H -ATOM 651 HA GLU A 46 73.893 67.586 75.681 1.00 21.87 H -ATOM 652 HB2 GLU A 46 75.695 68.944 76.484 1.00 23.37 H -ATOM 653 HB3 GLU A 46 75.387 69.340 74.795 1.00 23.37 H -ATOM 654 HG2 GLU A 46 74.091 71.349 75.530 1.00 27.02 H -ATOM 655 HG3 GLU A 46 74.441 70.951 77.215 1.00 27.02 H -ATOM 656 N TRP A 47 73.562 67.873 78.196 1.00 25.47 N -ATOM 657 CA TRP A 47 73.358 67.931 79.652 1.00 28.84 C -ATOM 658 C TRP A 47 73.527 69.346 80.206 1.00 40.22 C -ATOM 659 O TRP A 47 74.489 70.029 79.865 1.00 41.73 O -ATOM 660 CB TRP A 47 74.424 67.022 80.300 1.00 31.29 C -ATOM 661 CG TRP A 47 74.579 66.955 81.806 1.00 41.90 C -ATOM 662 CD1 TRP A 47 74.160 65.907 82.547 1.00 40.32 C -ATOM 663 CD2 TRP A 47 75.290 67.828 82.761 1.00 36.53 C -ATOM 664 NE1 TRP A 47 74.569 66.051 83.857 1.00 46.92 N -ATOM 665 CE2 TRP A 47 75.283 67.204 84.047 1.00 41.00 C -ATOM 666 CE3 TRP A 47 75.969 69.061 82.689 1.00 35.27 C -ATOM 667 CZ2 TRP A 47 75.918 67.737 85.173 1.00 30.94 C -ATOM 668 CZ3 TRP A 47 76.575 69.633 83.826 1.00 32.15 C -ATOM 669 CH2 TRP A 47 76.560 68.973 85.066 1.00 22.84 C -ATOM 670 H TRP A 47 74.217 67.181 77.865 1.00 30.57 H -ATOM 671 HA TRP A 47 72.368 67.555 79.909 1.00 34.61 H -ATOM 672 HB2 TRP A 47 74.253 66.009 79.939 1.00 37.55 H -ATOM 673 HB3 TRP A 47 75.396 67.322 79.910 1.00 37.55 H -ATOM 674 HD1 TRP A 47 73.642 65.047 82.152 1.00 48.38 H -ATOM 675 HE1 TRP A 47 74.428 65.340 84.559 1.00 56.31 H -ATOM 676 HE3 TRP A 47 76.036 69.575 81.742 1.00 42.33 H -ATOM 677 HZ2 TRP A 47 75.900 67.205 86.113 1.00 37.13 H -ATOM 678 HZ3 TRP A 47 77.065 70.590 83.739 1.00 38.58 H -ATOM 679 HH2 TRP A 47 77.042 69.410 85.927 1.00 27.40 H -ATOM 680 N VAL A 48 72.669 69.744 81.143 1.00 37.28 N -ATOM 681 CA VAL A 48 72.918 70.863 82.063 1.00 35.78 C -ATOM 682 C VAL A 48 72.779 70.407 83.503 1.00 33.08 C -ATOM 683 O VAL A 48 73.602 70.785 84.329 1.00 36.18 O -ATOM 684 CB VAL A 48 72.010 72.065 81.770 1.00 37.99 C -ATOM 685 CG1 VAL A 48 72.033 73.138 82.865 1.00 47.00 C -ATOM 686 CG2 VAL A 48 72.424 72.735 80.463 1.00 41.99 C -ATOM 687 H VAL A 48 71.827 69.204 81.280 1.00 44.73 H -ATOM 688 HA VAL A 48 73.949 71.201 81.956 1.00 42.93 H -ATOM 689 HB VAL A 48 70.980 71.725 81.665 1.00 45.58 H -ATOM 690 HG11 VAL A 48 71.437 73.996 82.556 1.00 56.40 H -ATOM 691 HG12 VAL A 48 71.603 72.755 83.789 1.00 56.40 H -ATOM 692 HG13 VAL A 48 73.056 73.463 83.050 1.00 56.40 H -ATOM 693 HG21 VAL A 48 71.723 73.530 80.223 1.00 50.39 H -ATOM 694 HG22 VAL A 48 73.424 73.151 80.557 1.00 50.39 H -ATOM 695 HG23 VAL A 48 72.426 72.005 79.655 1.00 50.39 H -ATOM 696 N SER A 49 71.793 69.575 83.835 1.00 30.73 N -ATOM 697 CA SER A 49 71.788 68.936 85.144 1.00 30.31 C -ATOM 698 C SER A 49 70.895 67.712 85.216 1.00 32.83 C -ATOM 699 O SER A 49 69.783 67.738 84.703 1.00 33.30 O -ATOM 700 CB SER A 49 71.333 69.927 86.201 1.00 29.72 C -ATOM 701 OG SER A 49 71.444 69.321 87.463 1.00 36.36 O -ATOM 702 H SER A 49 71.103 69.307 83.147 1.00 36.88 H -ATOM 703 HA SER A 49 72.809 68.628 85.368 1.00 36.37 H -ATOM 704 HB2 SER A 49 71.942 70.830 86.180 1.00 35.67 H -ATOM 705 HB3 SER A 49 70.293 70.183 86.006 1.00 35.67 H -ATOM 706 HG SER A 49 72.320 68.934 87.519 1.00 43.63 H -ATOM 707 N ALA A 50 71.350 66.659 85.888 1.00 25.35 N -ATOM 708 CA ALA A 50 70.603 65.422 86.053 1.00 20.66 C -ATOM 709 C ALA A 50 69.753 65.409 87.332 1.00 29.30 C -ATOM 710 O ALA A 50 70.211 65.846 88.389 1.00 32.51 O -ATOM 711 CB ALA A 50 71.596 64.258 86.039 1.00 20.66 C -ATOM 712 H ALA A 50 72.243 66.740 86.349 1.00 30.41 H -ATOM 713 HA ALA A 50 69.939 65.296 85.199 1.00 24.79 H -ATOM 714 HB1 ALA A 50 71.054 63.314 86.071 1.00 24.79 H -ATOM 715 HB2 ALA A 50 72.188 64.283 85.125 1.00 24.79 H -ATOM 716 HB3 ALA A 50 72.258 64.314 86.902 1.00 24.79 H -ATOM 717 N ILE A 51 68.559 64.816 87.231 1.00 35.45 N -ATOM 718 CA ILE A 51 67.601 64.402 88.285 1.00 43.33 C -ATOM 719 C ILE A 51 66.987 65.522 89.146 1.00 38.34 C -ATOM 720 O ILE A 51 65.793 65.495 89.439 1.00 41.05 O -ATOM 721 CB ILE A 51 68.152 63.261 89.201 1.00 46.90 C -ATOM 722 CG1 ILE A 51 69.171 62.294 88.538 1.00 49.19 C -ATOM 723 CG2 ILE A 51 66.953 62.470 89.771 1.00 38.38 C -ATOM 724 CD1 ILE A 51 69.702 61.148 89.416 1.00 56.00 C -ATOM 725 H ILE A 51 68.269 64.595 86.291 1.00 42.54 H -ATOM 726 HA ILE A 51 66.761 63.974 87.739 1.00 51.99 H -ATOM 727 HB ILE A 51 68.670 63.729 90.037 1.00 56.27 H -ATOM 728 HG12 ILE A 51 68.723 61.862 87.646 1.00 59.03 H -ATOM 729 HG13 ILE A 51 70.044 62.867 88.234 1.00 59.03 H -ATOM 730 HG21 ILE A 51 67.290 61.757 90.522 1.00 46.06 H -ATOM 731 HG22 ILE A 51 66.242 63.135 90.260 1.00 46.06 H -ATOM 732 HG23 ILE A 51 66.445 61.930 88.973 1.00 46.06 H -ATOM 733 HD11 ILE A 51 70.497 60.628 88.886 1.00 67.20 H -ATOM 734 HD12 ILE A 51 70.098 61.545 90.347 1.00 67.20 H -ATOM 735 HD13 ILE A 51 68.911 60.434 89.629 1.00 67.20 H -ATOM 736 N SER A 52 67.806 66.448 89.633 1.00 33.01 N -ATOM 737 CA SER A 52 67.503 67.206 90.852 1.00 37.62 C -ATOM 738 C SER A 52 68.394 68.424 91.107 1.00 31.19 C -ATOM 739 O SER A 52 68.153 69.170 92.050 1.00 39.07 O -ATOM 740 CB SER A 52 67.729 66.250 92.025 1.00 47.31 C -ATOM 741 OG SER A 52 69.071 65.788 92.013 1.00 41.47 O -ATOM 742 H SER A 52 68.776 66.354 89.368 1.00 39.61 H -ATOM 743 HA SER A 52 66.465 67.537 90.842 1.00 45.15 H -ATOM 744 HB2 SER A 52 67.528 66.759 92.967 1.00 56.77 H -ATOM 745 HB3 SER A 52 67.054 65.399 91.940 1.00 56.77 H -ATOM 746 HG SER A 52 69.145 65.087 92.664 1.00 49.77 H -ATOM 747 N GLY A 53 69.463 68.610 90.339 1.00 27.62 N -ATOM 748 CA GLY A 53 70.564 69.488 90.730 1.00 27.61 C -ATOM 749 C GLY A 53 71.707 68.755 91.436 1.00 27.64 C -ATOM 750 O GLY A 53 72.785 69.323 91.574 1.00 31.52 O -ATOM 751 H GLY A 53 69.593 68.020 89.530 1.00 33.15 H -ATOM 752 HA2 GLY A 53 70.965 69.976 89.842 1.00 33.13 H -ATOM 753 HA3 GLY A 53 70.208 70.271 91.399 1.00 33.13 H -ATOM 754 N SER A 54 71.542 67.493 91.837 1.00 27.39 N -ATOM 755 CA SER A 54 72.645 66.715 92.430 1.00 34.38 C -ATOM 756 C SER A 54 73.729 66.405 91.407 1.00 27.53 C -ATOM 757 O SER A 54 74.905 66.621 91.673 1.00 32.97 O -ATOM 758 CB SER A 54 72.129 65.414 93.030 1.00 40.35 C -ATOM 759 OG SER A 54 71.214 65.694 94.064 1.00 46.75 O -ATOM 760 H SER A 54 70.630 67.064 91.776 1.00 32.87 H -ATOM 761 HA SER A 54 73.101 67.296 93.231 1.00 41.26 H -ATOM 762 HB2 SER A 54 71.630 64.838 92.252 1.00 48.42 H -ATOM 763 HB3 SER A 54 72.958 64.834 93.431 1.00 48.42 H -ATOM 764 HG SER A 54 70.520 65.036 93.985 1.00 56.10 H -ATOM 765 N GLY A 55 73.351 66.006 90.194 1.00 24.88 N -ATOM 766 CA GLY A 55 74.222 66.097 89.024 1.00 23.81 C -ATOM 767 C GLY A 55 74.237 67.535 88.521 1.00 28.70 C -ATOM 768 O GLY A 55 73.661 67.831 87.481 1.00 30.53 O -ATOM 769 H GLY A 55 72.372 65.820 90.035 1.00 29.85 H -ATOM 770 HA2 GLY A 55 75.237 65.793 89.274 1.00 28.58 H -ATOM 771 HA3 GLY A 55 73.850 65.447 88.233 1.00 28.58 H -ATOM 772 N GLY A 56 74.767 68.458 89.312 1.00 33.55 N -ATOM 773 CA GLY A 56 74.597 69.899 89.104 1.00 45.63 C -ATOM 774 C GLY A 56 75.369 70.744 90.118 1.00 44.92 C -ATOM 775 O GLY A 56 74.837 71.676 90.721 1.00 45.59 O -ATOM 776 H GLY A 56 75.141 68.143 90.195 1.00 40.26 H -ATOM 777 HA2 GLY A 56 74.955 70.157 88.108 1.00 54.76 H -ATOM 778 HA3 GLY A 56 73.540 70.156 89.167 1.00 54.76 H -ATOM 779 N ILE A 57 76.634 70.386 90.323 1.00 41.66 N -ATOM 780 CA ILE A 57 77.601 71.126 91.141 1.00 47.77 C -ATOM 781 C ILE A 57 77.681 72.596 90.693 1.00 55.97 C -ATOM 782 O ILE A 57 77.524 72.895 89.510 1.00 58.85 O -ATOM 783 CB ILE A 57 78.981 70.410 91.094 1.00 50.90 C -ATOM 784 CG1 ILE A 57 79.541 70.299 89.654 1.00 53.56 C -ATOM 785 CG2 ILE A 57 78.885 69.033 91.779 1.00 42.72 C -ATOM 786 CD1 ILE A 57 80.843 69.508 89.516 1.00 49.61 C -ATOM 787 H ILE A 57 76.985 69.602 89.793 1.00 49.99 H -ATOM 788 HA ILE A 57 77.249 71.122 92.173 1.00 57.32 H -ATOM 789 HB ILE A 57 79.681 71.006 91.678 1.00 61.08 H -ATOM 790 HG12 ILE A 57 78.808 69.825 89.003 1.00 64.27 H -ATOM 791 HG13 ILE A 57 79.726 71.303 89.274 1.00 64.27 H -ATOM 792 HG21 ILE A 57 79.882 68.631 91.955 1.00 51.27 H -ATOM 793 HG22 ILE A 57 78.394 69.133 92.745 1.00 51.27 H -ATOM 794 HG23 ILE A 57 78.325 68.332 91.163 1.00 51.27 H -ATOM 795 HD11 ILE A 57 81.195 69.581 88.488 1.00 59.54 H -ATOM 796 HD12 ILE A 57 81.599 69.920 90.181 1.00 59.54 H -ATOM 797 HD13 ILE A 57 80.678 68.457 89.746 1.00 59.54 H -ATOM 798 N THR A 58 78.009 73.523 91.600 1.00 63.99 N -ATOM 799 CA THR A 58 78.169 74.971 91.306 1.00 70.35 C -ATOM 800 C THR A 58 79.414 75.304 90.464 1.00 70.16 C -ATOM 801 O THR A 58 79.937 76.413 90.540 1.00 72.62 O -ATOM 802 CB THR A 58 78.186 75.821 92.593 1.00 72.84 C -ATOM 803 OG1 THR A 58 79.330 75.537 93.350 1.00 64.99 O -ATOM 804 CG2 THR A 58 76.980 75.604 93.497 1.00 70.76 C -ATOM 805 H THR A 58 78.146 73.232 92.557 1.00 76.79 H -ATOM 806 HA THR A 58 77.306 75.285 90.719 1.00 84.42 H -ATOM 807 HB THR A 58 78.209 76.874 92.319 1.00 87.41 H -ATOM 808 HG1 THR A 58 80.082 75.843 92.842 1.00 77.99 H -ATOM 809 HG21 THR A 58 77.015 76.311 94.324 1.00 84.91 H -ATOM 810 HG22 THR A 58 76.068 75.774 92.931 1.00 84.91 H -ATOM 811 HG23 THR A 58 76.970 74.593 93.897 1.00 84.91 H -ATOM 812 N TYR A 59 79.933 74.332 89.712 1.00 68.81 N -ATOM 813 CA TYR A 59 81.210 74.381 89.008 1.00 71.37 C -ATOM 814 C TYR A 59 81.195 73.681 87.633 1.00 70.64 C -ATOM 815 O TYR A 59 82.272 73.493 87.090 1.00 67.85 O -ATOM 816 CB TYR A 59 82.324 73.814 89.908 1.00 69.44 C -ATOM 817 CG TYR A 59 82.432 74.459 91.279 1.00 72.13 C -ATOM 818 CD1 TYR A 59 82.800 75.812 91.397 1.00 70.53 C -ATOM 819 CD2 TYR A 59 82.138 73.715 92.437 1.00 74.84 C -ATOM 820 CE1 TYR A 59 82.855 76.427 92.662 1.00 76.84 C -ATOM 821 CE2 TYR A 59 82.201 74.323 93.706 1.00 83.32 C -ATOM 822 CZ TYR A 59 82.560 75.683 93.821 1.00 85.24 C -ATOM 823 OH TYR A 59 82.621 76.285 95.037 1.00 93.55 O -ATOM 824 H TYR A 59 79.399 73.478 89.657 1.00 82.58 H -ATOM 825 HA TYR A 59 81.442 75.430 88.822 1.00 85.64 H -ATOM 826 HB2 TYR A 59 82.159 72.745 90.029 1.00 83.33 H -ATOM 827 HB3 TYR A 59 83.286 73.935 89.412 1.00 83.33 H -ATOM 828 HD1 TYR A 59 83.015 76.397 90.516 1.00 84.64 H -ATOM 829 HD2 TYR A 59 81.862 72.675 92.355 1.00 89.81 H -ATOM 830 HE1 TYR A 59 83.126 77.468 92.750 1.00 92.21 H -ATOM 831 HE2 TYR A 59 81.972 73.750 94.591 1.00 99.99 H -ATOM 832 HH TYR A 59 82.401 75.675 95.740 1.00112.26 H -ATOM 833 N TYR A 60 80.031 73.332 87.062 1.00 62.12 N -ATOM 834 CA TYR A 60 79.827 72.677 85.743 1.00 47.99 C -ATOM 835 C TYR A 60 80.524 71.331 85.447 1.00 52.98 C -ATOM 836 O TYR A 60 81.466 70.925 86.118 1.00 60.79 O -ATOM 837 CB TYR A 60 80.092 73.670 84.603 1.00 41.20 C -ATOM 838 CG TYR A 60 78.931 74.563 84.282 1.00 48.02 C -ATOM 839 CD1 TYR A 60 77.660 74.003 84.053 1.00 55.84 C -ATOM 840 CD2 TYR A 60 79.143 75.936 84.097 1.00 51.38 C -ATOM 841 CE1 TYR A 60 76.592 74.819 83.645 1.00 68.83 C -ATOM 842 CE2 TYR A 60 78.078 76.758 83.684 1.00 59.15 C -ATOM 843 CZ TYR A 60 76.800 76.197 83.447 1.00 70.54 C -ATOM 844 OH TYR A 60 75.778 76.956 82.970 1.00 66.00 O -ATOM 845 H TYR A 60 79.192 73.601 87.553 1.00 74.55 H -ATOM 846 HA TYR A 60 78.768 72.418 85.724 1.00 57.59 H -ATOM 847 HB2 TYR A 60 80.963 74.277 84.850 1.00 49.44 H -ATOM 848 HB3 TYR A 60 80.332 73.136 83.684 1.00 49.44 H -ATOM 849 HD1 TYR A 60 77.494 72.941 84.148 1.00 67.01 H -ATOM 850 HD2 TYR A 60 80.133 76.350 84.215 1.00 61.66 H -ATOM 851 HE1 TYR A 60 75.619 74.393 83.452 1.00 82.60 H -ATOM 852 HE2 TYR A 60 78.244 77.809 83.500 1.00 70.98 H -ATOM 853 HH TYR A 60 75.829 77.852 83.303 1.00 79.20 H -ATOM 854 N GLY A 61 80.041 70.640 84.401 1.00 46.41 N -ATOM 855 CA GLY A 61 80.555 69.350 83.922 1.00 50.05 C -ATOM 856 C GLY A 61 80.693 68.313 85.040 1.00 54.96 C -ATOM 857 O GLY A 61 79.808 68.167 85.883 1.00 54.55 O -ATOM 858 H GLY A 61 79.280 71.046 83.878 1.00 55.69 H -ATOM 859 HA2 GLY A 61 79.886 68.944 83.165 1.00 60.06 H -ATOM 860 HA3 GLY A 61 81.528 69.509 83.459 1.00 60.06 H -ATOM 861 N ASP A 62 81.833 67.621 85.073 1.00 58.49 N -ATOM 862 CA ASP A 62 82.389 67.087 86.327 1.00 61.24 C -ATOM 863 C ASP A 62 83.408 68.063 86.959 1.00 61.17 C -ATOM 864 O ASP A 62 83.621 67.995 88.167 1.00 67.28 O -ATOM 865 CB ASP A 62 82.954 65.667 86.149 1.00 67.21 C -ATOM 866 CG ASP A 62 83.980 65.493 85.028 1.00 77.13 C -ATOM 867 OD1 ASP A 62 84.440 66.498 84.445 1.00 71.61 O -ATOM 868 OD2 ASP A 62 84.318 64.326 84.724 1.00 83.45 O -ATOM 869 H ASP A 62 82.468 67.691 84.292 1.00 70.18 H -ATOM 870 HA ASP A 62 81.585 66.997 87.058 1.00 73.49 H -ATOM 871 HB2 ASP A 62 83.398 65.349 87.089 1.00 80.66 H -ATOM 872 HB3 ASP A 62 82.115 65.003 85.950 1.00 80.66 H -ATOM 873 N SER A 63 83.975 69.010 86.198 1.00 59.30 N -ATOM 874 CA SER A 63 84.492 70.296 86.701 1.00 63.15 C -ATOM 875 C SER A 63 84.808 71.272 85.559 1.00 64.41 C -ATOM 876 O SER A 63 85.460 70.882 84.591 1.00 71.48 O -ATOM 877 CB SER A 63 85.774 70.093 87.513 1.00 76.26 C -ATOM 878 OG SER A 63 86.257 71.342 87.976 1.00 80.60 O -ATOM 879 H SER A 63 83.850 68.934 85.200 1.00 71.16 H -ATOM 880 HA SER A 63 83.745 70.750 87.350 1.00 75.78 H -ATOM 881 HB2 SER A 63 85.578 69.455 88.373 1.00 91.51 H -ATOM 882 HB3 SER A 63 86.532 69.620 86.890 1.00 91.51 H -ATOM 883 HG SER A 63 87.037 71.179 88.500 1.00 96.72 H -ATOM 884 N ALA A 64 84.413 72.543 85.674 1.00 68.17 N -ATOM 885 CA ALA A 64 84.805 73.644 84.775 1.00 72.39 C -ATOM 886 C ALA A 64 84.717 75.081 85.368 1.00 75.71 C -ATOM 887 O ALA A 64 84.975 76.051 84.656 1.00 80.72 O -ATOM 888 CB ALA A 64 83.982 73.539 83.484 1.00 78.72 C -ATOM 889 H ALA A 64 83.753 72.744 86.410 1.00 81.81 H -ATOM 890 HA ALA A 64 85.852 73.497 84.512 1.00 86.87 H -ATOM 891 HB1 ALA A 64 84.320 74.283 82.764 1.00 94.46 H -ATOM 892 HB2 ALA A 64 84.102 72.554 83.035 1.00 94.46 H -ATOM 893 HB3 ALA A 64 82.928 73.707 83.699 1.00 94.46 H -ATOM 894 N LYS A 65 84.368 75.245 86.653 1.00 75.10 N -ATOM 895 CA LYS A 65 84.228 76.526 87.390 1.00 80.64 C -ATOM 896 C LYS A 65 83.177 77.515 86.841 1.00 83.00 C -ATOM 897 O LYS A 65 83.504 78.645 86.479 1.00 84.87 O -ATOM 898 CB LYS A 65 85.601 77.198 87.605 1.00 85.57 C -ATOM 899 CG LYS A 65 86.575 76.346 88.430 1.00 93.34 C -ATOM 900 CD LYS A 65 87.876 77.115 88.690 1.00103.99 C -ATOM 901 CE LYS A 65 88.807 76.306 89.597 1.00112.08 C -ATOM 902 NZ LYS A 65 90.016 77.081 89.967 1.00111.11 N -ATOM 903 H LYS A 65 84.144 74.398 87.154 1.00 90.12 H -ATOM 904 HA LYS A 65 83.868 76.281 88.389 1.00 96.77 H -ATOM 905 HB2 LYS A 65 86.054 77.434 86.643 1.00102.68 H -ATOM 906 HB3 LYS A 65 85.446 78.133 88.142 1.00102.68 H -ATOM 907 HG2 LYS A 65 86.111 76.100 89.383 1.00112.01 H -ATOM 908 HG3 LYS A 65 86.804 75.425 87.897 1.00112.01 H -ATOM 909 HD2 LYS A 65 88.371 77.321 87.743 1.00124.78 H -ATOM 910 HD3 LYS A 65 87.636 78.059 89.178 1.00124.78 H -ATOM 911 HE2 LYS A 65 88.263 76.025 90.494 1.00134.49 H -ATOM 912 HE3 LYS A 65 89.091 75.394 89.079 1.00134.49 H -ATOM 913 HZ1 LYS A 65 90.623 76.547 90.570 1.00133.34 H -ATOM 914 HZ2 LYS A 65 90.547 77.339 89.152 1.00133.34 H -ATOM 915 HZ3 LYS A 65 89.769 77.925 90.456 1.00133.34 H -ATOM 916 N GLY A 66 81.897 77.120 86.842 1.00 84.12 N -ATOM 917 CA GLY A 66 80.754 78.028 86.629 1.00 87.75 C -ATOM 918 C GLY A 66 79.556 77.762 87.553 1.00 80.14 C -ATOM 919 O GLY A 66 79.087 76.630 87.674 1.00 71.08 O -ATOM 920 H GLY A 66 81.698 76.158 87.069 1.00100.94 H -ATOM 921 HA2 GLY A 66 81.079 79.056 86.791 1.00105.29 H -ATOM 922 HA3 GLY A 66 80.413 77.970 85.597 1.00105.29 H -ATOM 923 N ARG A 67 79.064 78.832 88.195 1.00 81.33 N -ATOM 924 CA ARG A 67 78.047 78.837 89.265 1.00 76.63 C -ATOM 925 C ARG A 67 76.608 78.768 88.749 1.00 63.18 C -ATOM 926 O ARG A 67 75.911 79.777 88.629 1.00 65.88 O -ATOM 927 CB ARG A 67 78.241 80.083 90.139 1.00 83.40 C -ATOM 928 CG ARG A 67 79.496 80.063 91.023 1.00 96.81 C -ATOM 929 CD ARG A 67 79.600 81.432 91.708 1.00 99.68 C -ATOM 930 NE ARG A 67 80.560 81.453 92.821 1.00100.66 N -ATOM 931 CZ ARG A 67 80.803 82.489 93.601 1.00104.52 C -ATOM 932 NH1 ARG A 67 81.584 82.376 94.632 1.00106.41 N -ATOM 933 NH2 ARG A 67 80.274 83.655 93.383 1.00107.99 N -ATOM 934 H ARG A 67 79.494 79.719 87.978 1.00 97.59 H -ATOM 935 HA ARG A 67 78.190 77.966 89.903 1.00 91.96 H -ATOM 936 HB2 ARG A 67 78.264 80.964 89.498 1.00100.07 H -ATOM 937 HB3 ARG A 67 77.385 80.168 90.807 1.00100.07 H -ATOM 938 HG2 ARG A 67 79.395 79.276 91.769 1.00116.17 H -ATOM 939 HG3 ARG A 67 80.388 79.885 90.423 1.00116.17 H -ATOM 940 HD2 ARG A 67 79.889 82.172 90.964 1.00119.62 H -ATOM 941 HD3 ARG A 67 78.620 81.700 92.097 1.00119.62 H -ATOM 942 HE ARG A 67 81.021 80.591 93.060 1.00120.80 H -ATOM 943 HH11 ARG A 67 82.015 81.489 94.843 1.00127.70 H -ATOM 944 HH12 ARG A 67 81.752 83.171 95.227 1.00127.70 H -ATOM 945 HH21 ARG A 67 79.687 83.784 92.574 1.00129.58 H -ATOM 946 HH22 ARG A 67 80.477 84.426 93.999 1.00129.58 H -ATOM 947 N PHE A 68 76.157 77.551 88.484 1.00 59.90 N -ATOM 948 CA PHE A 68 74.799 77.254 88.048 1.00 53.17 C -ATOM 949 C PHE A 68 74.230 76.111 88.883 1.00 48.26 C -ATOM 950 O PHE A 68 74.958 75.175 89.205 1.00 48.97 O -ATOM 951 CB PHE A 68 74.824 76.922 86.560 1.00 53.39 C -ATOM 952 CG PHE A 68 75.118 78.121 85.686 1.00 66.29 C -ATOM 953 CD1 PHE A 68 76.405 78.687 85.640 1.00 79.18 C -ATOM 954 CD2 PHE A 68 74.114 78.648 84.862 1.00 67.32 C -ATOM 955 CE1 PHE A 68 76.664 79.818 84.851 1.00 78.23 C -ATOM 956 CE2 PHE A 68 74.391 79.740 84.021 1.00 71.72 C -ATOM 957 CZ PHE A 68 75.652 80.351 84.041 1.00 74.42 C -ATOM 958 H PHE A 68 76.810 76.784 88.530 1.00 71.89 H -ATOM 959 HA PHE A 68 74.158 78.123 88.193 1.00 63.81 H -ATOM 960 HB2 PHE A 68 75.572 76.153 86.370 1.00 64.07 H -ATOM 961 HB3 PHE A 68 73.854 76.512 86.279 1.00 64.07 H -ATOM 962 HD1 PHE A 68 77.214 78.239 86.198 1.00 95.01 H -ATOM 963 HD2 PHE A 68 73.131 78.201 84.856 1.00 80.79 H -ATOM 964 HE1 PHE A 68 77.648 80.263 84.843 1.00 93.88 H -ATOM 965 HE2 PHE A 68 73.630 80.116 83.354 1.00 86.07 H -ATOM 966 HZ PHE A 68 75.849 81.212 83.420 1.00 89.30 H -ATOM 967 N THR A 69 72.950 76.195 89.263 1.00 49.62 N -ATOM 968 CA THR A 69 72.246 75.169 90.060 1.00 42.96 C -ATOM 969 C THR A 69 70.715 75.372 90.049 1.00 43.22 C -ATOM 970 O THR A 69 70.209 76.219 89.319 1.00 45.08 O -ATOM 971 CB THR A 69 72.833 75.106 91.481 1.00 40.32 C -ATOM 972 OG1 THR A 69 72.429 73.914 92.110 1.00 39.50 O -ATOM 973 CG2 THR A 69 72.430 76.282 92.363 1.00 46.92 C -ATOM 974 H THR A 69 72.403 76.976 88.933 1.00 59.54 H -ATOM 975 HA THR A 69 72.433 74.202 89.594 1.00 51.56 H -ATOM 976 HB THR A 69 73.922 75.091 91.430 1.00 48.39 H -ATOM 977 HG1 THR A 69 73.045 73.231 91.852 1.00 47.40 H -ATOM 978 HG21 THR A 69 72.951 76.211 93.317 1.00 56.30 H -ATOM 979 HG22 THR A 69 72.713 77.218 91.883 1.00 56.30 H -ATOM 980 HG23 THR A 69 71.357 76.279 92.548 1.00 56.30 H -ATOM 981 N ILE A 70 69.950 74.574 90.800 1.00 41.47 N -ATOM 982 CA ILE A 70 68.512 74.292 90.588 1.00 48.33 C -ATOM 983 C ILE A 70 67.696 74.290 91.887 1.00 49.41 C -ATOM 984 O ILE A 70 68.234 74.139 92.981 1.00 52.22 O -ATOM 985 CB ILE A 70 68.409 72.934 89.845 1.00 59.93 C -ATOM 986 CG1 ILE A 70 68.700 73.158 88.349 1.00 63.91 C -ATOM 987 CG2 ILE A 70 67.106 72.112 89.974 1.00 56.31 C -ATOM 988 CD1 ILE A 70 69.434 71.971 87.721 1.00 47.77 C -ATOM 989 H ILE A 70 70.433 73.998 91.474 1.00 49.77 H -ATOM 990 HA ILE A 70 68.081 75.070 89.959 1.00 57.99 H -ATOM 991 HB ILE A 70 69.195 72.299 90.255 1.00 71.91 H -ATOM 992 HG12 ILE A 70 67.767 73.344 87.819 1.00 76.70 H -ATOM 993 HG13 ILE A 70 69.330 74.034 88.203 1.00 76.70 H -ATOM 994 HG21 ILE A 70 67.191 71.185 89.410 1.00 67.58 H -ATOM 995 HG22 ILE A 70 66.926 71.840 91.013 1.00 67.58 H -ATOM 996 HG23 ILE A 70 66.250 72.663 89.589 1.00 67.58 H -ATOM 997 HD11 ILE A 70 69.592 72.168 86.661 1.00 57.33 H -ATOM 998 HD12 ILE A 70 70.402 71.846 88.203 1.00 57.33 H -ATOM 999 HD13 ILE A 70 68.856 71.055 87.830 1.00 57.33 H -ATOM 1000 N SER A 71 66.375 74.396 91.756 1.00 45.57 N -ATOM 1001 CA SER A 71 65.402 74.051 92.797 1.00 52.48 C -ATOM 1002 C SER A 71 64.194 73.324 92.198 1.00 54.52 C -ATOM 1003 O SER A 71 63.967 73.371 90.987 1.00 51.23 O -ATOM 1004 CB SER A 71 64.998 75.304 93.579 1.00 66.23 C -ATOM 1005 OG SER A 71 64.105 74.974 94.628 1.00 68.51 O -ATOM 1006 H SER A 71 66.014 74.500 90.820 1.00 54.68 H -ATOM 1007 HA SER A 71 65.868 73.363 93.501 1.00 62.98 H -ATOM 1008 HB2 SER A 71 65.893 75.762 94.000 1.00 79.48 H -ATOM 1009 HB3 SER A 71 64.525 76.020 92.908 1.00 79.48 H -ATOM 1010 HG SER A 71 63.995 75.743 95.185 1.00 82.21 H -ATOM 1011 N ARG A 72 63.417 72.633 93.033 1.00 58.88 N -ATOM 1012 CA ARG A 72 62.379 71.683 92.621 1.00 58.32 C -ATOM 1013 C ARG A 72 61.092 71.808 93.435 1.00 65.14 C -ATOM 1014 O ARG A 72 61.138 71.839 94.658 1.00 67.37 O -ATOM 1015 CB ARG A 72 62.967 70.258 92.668 1.00 66.73 C -ATOM 1016 CG ARG A 72 63.782 69.911 93.931 1.00 65.22 C -ATOM 1017 CD ARG A 72 64.326 68.478 93.859 1.00 69.98 C -ATOM 1018 NE ARG A 72 65.345 68.223 94.897 1.00 77.09 N -ATOM 1019 CZ ARG A 72 65.754 67.053 95.350 1.00 81.20 C -ATOM 1020 NH1 ARG A 72 66.719 66.987 96.213 1.00 92.40 N -ATOM 1021 NH2 ARG A 72 65.233 65.931 94.956 1.00 66.07 N -ATOM 1022 H ARG A 72 63.600 72.738 94.020 1.00 70.66 H -ATOM 1023 HA ARG A 72 62.113 71.893 91.585 1.00 69.99 H -ATOM 1024 HB2 ARG A 72 62.161 69.536 92.555 1.00 80.07 H -ATOM 1025 HB3 ARG A 72 63.639 70.146 91.819 1.00 80.07 H -ATOM 1026 HG2 ARG A 72 64.630 70.587 94.008 1.00 78.27 H -ATOM 1027 HG3 ARG A 72 63.163 70.016 94.818 1.00 78.27 H -ATOM 1028 HD2 ARG A 72 63.494 67.790 93.967 1.00 83.98 H -ATOM 1029 HD3 ARG A 72 64.778 68.321 92.885 1.00 83.98 H -ATOM 1030 HE ARG A 72 65.802 69.028 95.296 1.00 92.51 H -ATOM 1031 HH11 ARG A 72 67.142 67.836 96.554 1.00110.88 H -ATOM 1032 HH12 ARG A 72 67.029 66.093 96.562 1.00110.88 H -ATOM 1033 HH21 ARG A 72 64.445 65.955 94.328 1.00 79.29 H -ATOM 1034 HH22 ARG A 72 65.534 65.058 95.362 1.00 79.29 H -ATOM 1035 N ASP A 73 59.943 71.824 92.756 1.00 75.43 N -ATOM 1036 CA ASP A 73 58.606 71.816 93.362 1.00 80.44 C -ATOM 1037 C ASP A 73 57.516 71.216 92.442 1.00 83.57 C -ATOM 1038 O ASP A 73 56.652 71.901 91.883 1.00 79.69 O -ATOM 1039 CB ASP A 73 58.248 73.227 93.845 1.00 92.07 C -ATOM 1040 CG ASP A 73 57.048 73.205 94.790 1.00102.65 C -ATOM 1041 OD1 ASP A 73 56.261 72.232 94.763 1.00102.81 O -ATOM 1042 OD2 ASP A 73 56.915 74.159 95.586 1.00103.09 O -ATOM 1043 H ASP A 73 59.982 71.852 91.747 1.00 90.52 H -ATOM 1044 HA ASP A 73 58.650 71.180 94.246 1.00 96.52 H -ATOM 1045 HB2 ASP A 73 59.099 73.658 94.372 1.00110.49 H -ATOM 1046 HB3 ASP A 73 58.026 73.865 92.990 1.00110.49 H -ATOM 1047 N ASN A 74 57.518 69.886 92.310 1.00 83.55 N -ATOM 1048 CA ASN A 74 56.439 69.172 91.624 1.00 86.70 C -ATOM 1049 C ASN A 74 55.071 69.347 92.313 1.00 86.35 C -ATOM 1050 O ASN A 74 54.058 69.122 91.661 1.00 83.38 O -ATOM 1051 CB ASN A 74 56.734 67.669 91.496 1.00 92.99 C -ATOM 1052 CG ASN A 74 57.918 67.264 90.639 1.00 86.84 C -ATOM 1053 OD1 ASN A 74 59.032 67.146 91.116 1.00 83.02 O -ATOM 1054 ND2 ASN A 74 57.706 66.963 89.382 1.00 81.32 N -ATOM 1055 H ASN A 74 58.242 69.345 92.762 1.00100.26 H -ATOM 1056 HA ASN A 74 56.349 69.582 90.618 1.00104.04 H -ATOM 1057 HB2 ASN A 74 56.870 67.245 92.490 1.00111.59 H -ATOM 1058 HB3 ASN A 74 55.856 67.202 91.051 1.00111.59 H -ATOM 1059 HD21 ASN A 74 58.470 66.534 88.881 1.00 97.59 H -ATOM 1060 HD22 ASN A 74 56.825 67.109 88.916 1.00 97.59 H -ATOM 1061 N SER A 75 54.990 69.796 93.574 1.00 97.71 N -ATOM 1062 CA SER A 75 53.693 70.096 94.211 1.00106.12 C -ATOM 1063 C SER A 75 53.026 71.307 93.552 1.00101.41 C -ATOM 1064 O SER A 75 51.832 71.288 93.256 1.00108.46 O -ATOM 1065 CB SER A 75 53.829 70.282 95.731 1.00106.56 C -ATOM 1066 OG SER A 75 54.213 71.588 96.120 1.00106.11 O -ATOM 1067 H SER A 75 55.836 70.041 94.064 1.00117.25 H -ATOM 1068 HA SER A 75 53.039 69.238 94.056 1.00127.35 H -ATOM 1069 HB2 SER A 75 52.862 70.072 96.187 1.00127.87 H -ATOM 1070 HB3 SER A 75 54.547 69.561 96.122 1.00127.87 H -ATOM 1071 HG SER A 75 55.023 71.818 95.661 1.00127.34 H -ATOM 1072 N LYS A 76 53.832 72.319 93.208 1.00 96.37 N -ATOM 1073 CA LYS A 76 53.466 73.416 92.302 1.00 99.32 C -ATOM 1074 C LYS A 76 53.464 72.982 90.828 1.00 88.30 C -ATOM 1075 O LYS A 76 53.212 73.798 89.948 1.00 93.21 O -ATOM 1076 CB LYS A 76 54.436 74.591 92.520 1.00103.91 C -ATOM 1077 CG LYS A 76 54.283 75.296 93.877 1.00116.74 C -ATOM 1078 CD LYS A 76 55.282 76.465 93.962 1.00109.87 C -ATOM 1079 CE LYS A 76 55.248 77.247 95.283 1.00119.36 C -ATOM 1080 NZ LYS A 76 55.534 76.390 96.459 1.00113.22 N -ATOM 1081 H LYS A 76 54.785 72.275 93.538 1.00115.65 H -ATOM 1082 HA LYS A 76 52.455 73.751 92.530 1.00119.19 H -ATOM 1083 HB2 LYS A 76 55.460 74.237 92.409 1.00124.70 H -ATOM 1084 HB3 LYS A 76 54.242 75.342 91.754 1.00124.70 H -ATOM 1085 HG2 LYS A 76 53.269 75.681 93.969 1.00140.09 H -ATOM 1086 HG3 LYS A 76 54.459 74.578 94.677 1.00140.09 H -ATOM 1087 HD2 LYS A 76 56.292 76.093 93.799 1.00131.84 H -ATOM 1088 HD3 LYS A 76 55.063 77.165 93.158 1.00131.84 H -ATOM 1089 HE2 LYS A 76 55.991 78.039 95.218 1.00143.24 H -ATOM 1090 HE3 LYS A 76 54.276 77.723 95.391 1.00143.24 H -ATOM 1091 HZ1 LYS A 76 55.825 76.942 97.252 1.00135.87 H -ATOM 1092 HZ2 LYS A 76 54.716 75.869 96.735 1.00135.87 H -ATOM 1093 HZ3 LYS A 76 56.253 75.714 96.249 1.00135.87 H -ATOM 1094 N ASN A 77 53.789 71.724 90.536 1.00 80.16 N -ATOM 1095 CA ASN A 77 54.046 71.208 89.195 1.00 83.90 C -ATOM 1096 C ASN A 77 55.053 72.083 88.417 1.00 75.52 C -ATOM 1097 O ASN A 77 54.954 72.210 87.198 1.00 75.32 O -ATOM 1098 CB ASN A 77 52.715 70.930 88.467 1.00 83.51 C -ATOM 1099 CG ASN A 77 51.889 69.837 89.129 1.00 87.46 C -ATOM 1100 OD1 ASN A 77 52.114 68.653 88.934 1.00 86.77 O -ATOM 1101 ND2 ASN A 77 50.892 70.187 89.906 1.00 92.20 N -ATOM 1102 H ASN A 77 53.892 71.080 91.307 1.00 96.20 H -ATOM 1103 HA ASN A 77 54.536 70.242 89.310 1.00100.68 H -ATOM 1104 HB2 ASN A 77 52.129 71.846 88.398 1.00100.22 H -ATOM 1105 HB3 ASN A 77 52.921 70.602 87.448 1.00100.22 H -ATOM 1106 HD21 ASN A 77 50.348 69.456 90.335 1.00110.64 H -ATOM 1107 HD22 ASN A 77 50.665 71.159 90.055 1.00110.64 H -ATOM 1108 N THR A 78 56.016 72.717 89.101 1.00 76.13 N -ATOM 1109 CA THR A 78 56.991 73.610 88.460 1.00 75.33 C -ATOM 1110 C THR A 78 58.348 73.691 89.183 1.00 67.37 C -ATOM 1111 O THR A 78 58.432 73.541 90.400 1.00 67.16 O -ATOM 1112 CB THR A 78 56.354 74.982 88.211 1.00 75.86 C -ATOM 1113 OG1 THR A 78 57.264 75.829 87.570 1.00 76.23 O -ATOM 1114 CG2 THR A 78 55.854 75.692 89.461 1.00 85.65 C -ATOM 1115 H THR A 78 56.104 72.566 90.096 1.00 91.36 H -ATOM 1116 HA THR A 78 57.203 73.178 87.482 1.00 90.40 H -ATOM 1117 HB THR A 78 55.503 74.840 87.545 1.00 91.03 H -ATOM 1118 HG1 THR A 78 57.648 75.319 86.854 1.00 91.47 H -ATOM 1119 HG21 THR A 78 56.317 76.671 89.570 1.00102.78 H -ATOM 1120 HG22 THR A 78 54.776 75.831 89.386 1.00102.78 H -ATOM 1121 HG23 THR A 78 56.079 75.091 90.341 1.00102.78 H -ATOM 1122 N LEU A 79 59.432 73.860 88.419 1.00 60.66 N -ATOM 1123 CA LEU A 79 60.829 73.637 88.814 1.00 55.98 C -ATOM 1124 C LEU A 79 61.760 74.654 88.136 1.00 56.45 C -ATOM 1125 O LEU A 79 61.366 75.275 87.150 1.00 65.83 O -ATOM 1126 CB LEU A 79 61.242 72.205 88.443 1.00 61.18 C -ATOM 1127 CG LEU A 79 60.539 71.104 89.256 1.00 68.37 C -ATOM 1128 CD1 LEU A 79 59.327 70.506 88.556 1.00 68.55 C -ATOM 1129 CD2 LEU A 79 61.475 69.927 89.512 1.00 70.02 C -ATOM 1130 H LEU A 79 59.278 74.064 87.443 1.00 72.79 H -ATOM 1131 HA LEU A 79 60.932 73.764 89.891 1.00 67.18 H -ATOM 1132 HB2 LEU A 79 61.066 72.045 87.380 1.00 73.42 H -ATOM 1133 HB3 LEU A 79 62.315 72.125 88.610 1.00 73.42 H -ATOM 1134 HG LEU A 79 60.231 71.515 90.217 1.00 82.05 H -ATOM 1135 HD11 LEU A 79 59.654 70.036 87.630 1.00 82.25 H -ATOM 1136 HD12 LEU A 79 58.862 69.753 89.189 1.00 82.25 H -ATOM 1137 HD13 LEU A 79 58.589 71.270 88.317 1.00 82.25 H -ATOM 1138 HD21 LEU A 79 61.012 69.224 90.201 1.00 84.03 H -ATOM 1139 HD22 LEU A 79 61.684 69.412 88.576 1.00 84.03 H -ATOM 1140 HD23 LEU A 79 62.421 70.270 89.925 1.00 84.03 H -ATOM 1141 N TYR A 80 62.978 74.849 88.656 1.00 52.00 N -ATOM 1142 CA TYR A 80 63.732 76.098 88.458 1.00 54.46 C -ATOM 1143 C TYR A 80 65.259 75.907 88.382 1.00 49.51 C -ATOM 1144 O TYR A 80 65.811 75.041 89.054 1.00 44.38 O -ATOM 1145 CB TYR A 80 63.382 77.082 89.599 1.00 66.93 C -ATOM 1146 CG TYR A 80 61.984 76.936 90.195 1.00 76.39 C -ATOM 1147 CD1 TYR A 80 61.766 75.963 91.189 1.00 78.60 C -ATOM 1148 CD2 TYR A 80 60.893 77.686 89.711 1.00 75.82 C -ATOM 1149 CE1 TYR A 80 60.470 75.683 91.648 1.00 78.14 C -ATOM 1150 CE2 TYR A 80 59.588 77.418 90.174 1.00 75.73 C -ATOM 1151 CZ TYR A 80 59.379 76.402 91.128 1.00 80.27 C -ATOM 1152 OH TYR A 80 58.129 76.069 91.524 1.00 80.46 O -ATOM 1153 H TYR A 80 63.286 74.256 89.412 1.00 62.41 H -ATOM 1154 HA TYR A 80 63.418 76.549 87.517 1.00 65.35 H -ATOM 1155 HB2 TYR A 80 64.094 76.935 90.411 1.00 80.32 H -ATOM 1156 HB3 TYR A 80 63.520 78.099 89.237 1.00 80.32 H -ATOM 1157 HD1 TYR A 80 62.602 75.404 91.582 1.00 94.32 H -ATOM 1158 HD2 TYR A 80 61.054 78.459 88.975 1.00 90.99 H -ATOM 1159 HE1 TYR A 80 60.307 74.917 92.391 1.00 93.77 H -ATOM 1160 HE2 TYR A 80 58.744 77.969 89.787 1.00 90.87 H -ATOM 1161 HH TYR A 80 58.038 75.115 91.478 1.00 96.56 H -ATOM 1162 N LEU A 81 65.951 76.767 87.639 1.00 48.51 N -ATOM 1163 CA LEU A 81 67.410 76.853 87.538 1.00 46.21 C -ATOM 1164 C LEU A 81 67.861 78.307 87.638 1.00 48.35 C -ATOM 1165 O LEU A 81 67.207 79.197 87.103 1.00 54.28 O -ATOM 1166 CB LEU A 81 67.872 76.194 86.230 1.00 49.65 C -ATOM 1167 CG LEU A 81 69.377 76.336 85.920 1.00 54.05 C -ATOM 1168 CD1 LEU A 81 69.931 75.112 85.193 1.00 48.07 C -ATOM 1169 CD2 LEU A 81 69.647 77.521 85.001 1.00 56.61 C -ATOM 1170 H LEU A 81 65.431 77.460 87.121 1.00 58.21 H -ATOM 1171 HA LEU A 81 67.867 76.312 88.367 1.00 55.45 H -ATOM 1172 HB2 LEU A 81 67.632 75.134 86.305 1.00 59.58 H -ATOM 1173 HB3 LEU A 81 67.300 76.608 85.401 1.00 59.58 H -ATOM 1174 HG LEU A 81 69.943 76.457 86.843 1.00 64.86 H -ATOM 1175 HD11 LEU A 81 70.998 75.240 85.014 1.00 57.69 H -ATOM 1176 HD12 LEU A 81 69.784 74.224 85.805 1.00 57.69 H -ATOM 1177 HD13 LEU A 81 69.420 74.973 84.241 1.00 57.69 H -ATOM 1178 HD21 LEU A 81 70.720 77.631 84.859 1.00 67.94 H -ATOM 1179 HD22 LEU A 81 69.173 77.339 84.038 1.00 67.94 H -ATOM 1180 HD23 LEU A 81 69.254 78.444 85.425 1.00 67.94 H -ATOM 1181 N GLU A 82 69.003 78.552 88.269 1.00 46.49 N -ATOM 1182 CA GLU A 82 69.625 79.871 88.365 1.00 50.44 C -ATOM 1183 C GLU A 82 71.015 79.912 87.740 1.00 48.32 C -ATOM 1184 O GLU A 82 71.752 78.928 87.709 1.00 50.19 O -ATOM 1185 CB GLU A 82 69.679 80.377 89.810 1.00 60.28 C -ATOM 1186 CG GLU A 82 68.278 80.660 90.369 1.00 67.23 C -ATOM 1187 CD GLU A 82 68.251 81.612 91.580 1.00 76.63 C -ATOM 1188 OE1 GLU A 82 69.309 81.968 92.145 1.00 76.16 O -ATOM 1189 OE2 GLU A 82 67.135 82.022 91.968 1.00 76.65 O -ATOM 1190 H GLU A 82 69.520 77.766 88.635 1.00 55.79 H -ATOM 1191 HA GLU A 82 69.025 80.584 87.801 1.00 60.53 H -ATOM 1192 HB2 GLU A 82 70.193 79.654 90.442 1.00 72.34 H -ATOM 1193 HB3 GLU A 82 70.245 81.307 89.807 1.00 72.34 H -ATOM 1194 HG2 GLU A 82 67.687 81.111 89.574 1.00 80.68 H -ATOM 1195 HG3 GLU A 82 67.809 79.715 90.635 1.00 80.68 H -ATOM 1196 N MET A 83 71.339 81.091 87.224 1.00 46.18 N -ATOM 1197 CA MET A 83 72.469 81.379 86.363 1.00 44.61 C -ATOM 1198 C MET A 83 73.259 82.526 86.966 1.00 52.72 C -ATOM 1199 O MET A 83 72.648 83.557 87.218 1.00 55.32 O -ATOM 1200 CB MET A 83 71.895 81.800 85.002 1.00 50.73 C -ATOM 1201 CG MET A 83 70.930 80.755 84.425 1.00 63.66 C -ATOM 1202 SD MET A 83 70.275 81.151 82.789 1.00 98.19 S -ATOM 1203 CE MET A 83 69.758 79.508 82.245 1.00 55.62 C -ATOM 1204 H MET A 83 70.653 81.829 87.293 1.00 55.41 H -ATOM 1205 HA MET A 83 73.114 80.506 86.263 1.00 53.54 H -ATOM 1206 HB2 MET A 83 71.349 82.737 85.109 1.00 60.87 H -ATOM 1207 HB3 MET A 83 72.713 81.975 84.304 1.00 60.87 H -ATOM 1208 HG2 MET A 83 71.457 79.804 84.364 1.00 76.40 H -ATOM 1209 HG3 MET A 83 70.079 80.630 85.093 1.00 76.40 H -ATOM 1210 HE1 MET A 83 69.446 79.553 81.203 1.00 66.74 H -ATOM 1211 HE2 MET A 83 70.585 78.806 82.337 1.00 66.74 H -ATOM 1212 HE3 MET A 83 68.919 79.177 82.855 1.00 66.74 H -ATOM 1213 N SER A 84 74.566 82.404 87.221 1.00 60.54 N -ATOM 1214 CA SER A 84 75.319 83.460 87.932 1.00 58.52 C -ATOM 1215 C SER A 84 76.814 83.538 87.594 1.00 60.59 C -ATOM 1216 O SER A 84 77.428 82.543 87.218 1.00 60.75 O -ATOM 1217 CB SER A 84 75.132 83.296 89.444 1.00 61.29 C -ATOM 1218 OG SER A 84 75.840 82.186 89.950 1.00 66.93 O -ATOM 1219 H SER A 84 75.043 81.544 86.993 1.00 72.65 H -ATOM 1220 HA SER A 84 74.887 84.421 87.655 1.00 70.22 H -ATOM 1221 HB2 SER A 84 75.490 84.194 89.946 1.00 73.55 H -ATOM 1222 HB3 SER A 84 74.074 83.176 89.668 1.00 73.55 H -ATOM 1223 HG SER A 84 75.720 81.431 89.370 1.00 80.32 H -ATOM 1224 N SER A 85 77.407 84.728 87.767 1.00 60.50 N -ATOM 1225 CA SER A 85 78.836 85.011 87.513 1.00 63.38 C -ATOM 1226 C SER A 85 79.265 84.721 86.067 1.00 64.39 C -ATOM 1227 O SER A 85 80.204 83.970 85.803 1.00 63.67 O -ATOM 1228 CB SER A 85 79.733 84.316 88.547 1.00 66.88 C -ATOM 1229 OG SER A 85 79.392 84.726 89.863 1.00 77.84 O -ATOM 1230 H SER A 85 76.833 85.490 88.097 1.00 72.60 H -ATOM 1231 HA SER A 85 78.982 86.082 87.649 1.00 76.05 H -ATOM 1232 HB2 SER A 85 79.619 83.236 88.466 1.00 80.26 H -ATOM 1233 HB3 SER A 85 80.775 84.570 88.354 1.00 80.26 H -ATOM 1234 HG SER A 85 79.678 85.633 89.980 1.00 93.41 H -ATOM 1235 N LEU A 86 78.515 85.296 85.122 1.00 61.76 N -ATOM 1236 CA LEU A 86 78.452 84.863 83.720 1.00 54.69 C -ATOM 1237 C LEU A 86 79.768 85.010 82.938 1.00 50.28 C -ATOM 1238 O LEU A 86 80.446 86.035 83.029 1.00 57.02 O -ATOM 1239 CB LEU A 86 77.334 85.629 82.984 1.00 53.04 C -ATOM 1240 CG LEU A 86 75.992 85.735 83.726 1.00 60.92 C -ATOM 1241 CD1 LEU A 86 75.011 86.511 82.862 1.00 62.79 C -ATOM 1242 CD2 LEU A 86 75.375 84.376 84.052 1.00 67.60 C -ATOM 1243 H LEU A 86 77.787 85.916 85.441 1.00 74.12 H -ATOM 1244 HA LEU A 86 78.188 83.806 83.719 1.00 65.63 H -ATOM 1245 HB2 LEU A 86 77.687 86.639 82.784 1.00 63.65 H -ATOM 1246 HB3 LEU A 86 77.164 85.144 82.025 1.00 63.65 H -ATOM 1247 HG LEU A 86 76.128 86.287 84.656 1.00 73.10 H -ATOM 1248 HD11 LEU A 86 74.075 86.622 83.407 1.00 75.35 H -ATOM 1249 HD12 LEU A 86 75.410 87.499 82.640 1.00 75.35 H -ATOM 1250 HD13 LEU A 86 74.834 85.969 81.935 1.00 75.35 H -ATOM 1251 HD21 LEU A 86 74.424 84.515 84.564 1.00 81.12 H -ATOM 1252 HD22 LEU A 86 75.213 83.812 83.135 1.00 81.12 H -ATOM 1253 HD23 LEU A 86 76.039 83.808 84.702 1.00 81.12 H -ATOM 1254 N ARG A 87 80.069 84.027 82.086 1.00 46.00 N -ATOM 1255 CA ARG A 87 80.875 84.230 80.867 1.00 50.69 C -ATOM 1256 C ARG A 87 79.988 84.796 79.762 1.00 51.80 C -ATOM 1257 O ARG A 87 78.769 84.741 79.868 1.00 57.33 O -ATOM 1258 CB ARG A 87 81.465 82.895 80.386 1.00 50.04 C -ATOM 1259 CG ARG A 87 82.646 82.422 81.237 1.00 46.84 C -ATOM 1260 CD ARG A 87 83.317 81.165 80.650 1.00 54.76 C -ATOM 1261 NE ARG A 87 83.694 81.295 79.221 1.00 61.53 N -ATOM 1262 CZ ARG A 87 84.573 82.112 78.666 1.00 71.62 C -ATOM 1263 NH1 ARG A 87 84.783 82.037 77.390 1.00 68.32 N -ATOM 1264 NH2 ARG A 87 85.243 83.005 79.332 1.00 68.60 N -ATOM 1265 H ARG A 87 79.444 83.235 82.091 1.00 55.20 H -ATOM 1266 HA ARG A 87 81.675 84.946 81.051 1.00 60.83 H -ATOM 1267 HB2 ARG A 87 80.693 82.128 80.376 1.00 60.05 H -ATOM 1268 HB3 ARG A 87 81.819 83.027 79.364 1.00 60.05 H -ATOM 1269 HG2 ARG A 87 83.378 83.227 81.306 1.00 56.21 H -ATOM 1270 HG3 ARG A 87 82.299 82.199 82.245 1.00 56.21 H -ATOM 1271 HD2 ARG A 87 84.202 80.930 81.241 1.00 65.71 H -ATOM 1272 HD3 ARG A 87 82.626 80.330 80.751 1.00 65.71 H -ATOM 1273 HE ARG A 87 83.268 80.652 78.570 1.00 73.83 H -ATOM 1274 HH11 ARG A 87 84.238 81.371 76.861 1.00 81.98 H -ATOM 1275 HH12 ARG A 87 85.463 82.628 76.943 1.00 81.98 H -ATOM 1276 HH21 ARG A 87 85.124 83.068 80.331 1.00 82.32 H -ATOM 1277 HH22 ARG A 87 85.902 83.600 78.855 1.00 82.32 H -ATOM 1278 N ALA A 88 80.564 85.219 78.639 1.00 48.79 N -ATOM 1279 CA ALA A 88 79.784 85.424 77.420 1.00 47.95 C -ATOM 1280 C ALA A 88 79.083 84.124 76.972 1.00 48.00 C -ATOM 1281 O ALA A 88 77.893 84.135 76.659 1.00 45.72 O -ATOM 1282 CB ALA A 88 80.713 85.971 76.337 1.00 53.15 C -ATOM 1283 H ALA A 88 81.570 85.293 78.597 1.00 58.55 H -ATOM 1284 HA ALA A 88 79.013 86.170 77.612 1.00 57.54 H -ATOM 1285 HB1 ALA A 88 80.141 86.154 75.429 1.00 63.78 H -ATOM 1286 HB2 ALA A 88 81.151 86.911 76.665 1.00 63.78 H -ATOM 1287 HB3 ALA A 88 81.507 85.258 76.119 1.00 63.78 H -ATOM 1288 N ASP A 89 79.800 82.996 77.019 1.00 45.58 N -ATOM 1289 CA ASP A 89 79.358 81.678 76.531 1.00 44.24 C -ATOM 1290 C ASP A 89 78.031 81.174 77.113 1.00 39.62 C -ATOM 1291 O ASP A 89 77.343 80.384 76.479 1.00 39.99 O -ATOM 1292 CB ASP A 89 80.425 80.623 76.857 1.00 50.04 C -ATOM 1293 CG ASP A 89 81.754 80.806 76.126 1.00 54.05 C -ATOM 1294 OD1 ASP A 89 81.785 81.470 75.070 1.00 54.23 O -ATOM 1295 OD2 ASP A 89 82.777 80.271 76.614 1.00 56.09 O -ATOM 1296 H ASP A 89 80.777 83.092 77.253 1.00 54.69 H -ATOM 1297 HA ASP A 89 79.233 81.728 75.450 1.00 53.09 H -ATOM 1298 HB2 ASP A 89 80.602 80.627 77.930 1.00 60.05 H -ATOM 1299 HB3 ASP A 89 80.038 79.640 76.593 1.00 60.05 H -ATOM 1300 N ASP A 90 77.643 81.624 78.302 1.00 41.08 N -ATOM 1301 CA ASP A 90 76.395 81.210 78.954 1.00 37.50 C -ATOM 1302 C ASP A 90 75.152 81.707 78.197 1.00 35.85 C -ATOM 1303 O ASP A 90 74.043 81.208 78.385 1.00 39.47 O -ATOM 1304 CB ASP A 90 76.422 81.686 80.417 1.00 52.24 C -ATOM 1305 CG ASP A 90 77.659 81.182 81.198 1.00 62.56 C -ATOM 1306 OD1 ASP A 90 78.124 80.052 80.925 1.00 58.93 O -ATOM 1307 OD2 ASP A 90 78.155 81.911 82.086 1.00 60.92 O -ATOM 1308 H ASP A 90 78.230 82.299 78.771 1.00 49.29 H -ATOM 1309 HA ASP A 90 76.351 80.121 78.954 1.00 45.00 H -ATOM 1310 HB2 ASP A 90 76.397 82.775 80.427 1.00 62.69 H -ATOM 1311 HB3 ASP A 90 75.520 81.328 80.912 1.00 62.69 H -ATOM 1312 N THR A 91 75.362 82.649 77.284 1.00 37.47 N -ATOM 1313 CA THR A 91 74.442 83.029 76.218 1.00 44.99 C -ATOM 1314 C THR A 91 74.061 81.816 75.366 1.00 42.44 C -ATOM 1315 O THR A 91 74.908 81.319 74.630 1.00 44.42 O -ATOM 1316 CB THR A 91 75.161 84.056 75.334 1.00 54.91 C -ATOM 1317 OG1 THR A 91 75.479 85.193 76.097 1.00 56.53 O -ATOM 1318 CG2 THR A 91 74.363 84.506 74.119 1.00 63.51 C -ATOM 1319 H THR A 91 76.309 82.989 77.203 1.00 44.96 H -ATOM 1320 HA THR A 91 73.545 83.476 76.646 1.00 53.98 H -ATOM 1321 HB THR A 91 76.095 83.626 74.972 1.00 65.90 H -ATOM 1322 HG1 THR A 91 76.335 84.983 76.473 1.00 67.83 H -ATOM 1323 HG21 THR A 91 74.779 85.429 73.721 1.00 76.21 H -ATOM 1324 HG22 THR A 91 74.418 83.744 73.343 1.00 76.21 H -ATOM 1325 HG23 THR A 91 73.316 84.652 74.381 1.00 76.21 H -ATOM 1326 N ALA A 92 72.822 81.322 75.447 1.00 41.79 N -ATOM 1327 CA ALA A 92 72.360 80.125 74.729 1.00 39.92 C -ATOM 1328 C ALA A 92 70.824 79.964 74.827 1.00 42.28 C -ATOM 1329 O ALA A 92 70.110 80.921 75.124 1.00 45.68 O -ATOM 1330 CB ALA A 92 73.080 78.889 75.304 1.00 41.71 C -ATOM 1331 H ALA A 92 72.138 81.828 75.990 1.00 50.15 H -ATOM 1332 HA ALA A 92 72.616 80.216 73.675 1.00 47.91 H -ATOM 1333 HB1 ALA A 92 72.892 78.019 74.678 1.00 50.05 H -ATOM 1334 HB2 ALA A 92 74.158 79.033 75.335 1.00 50.05 H -ATOM 1335 HB3 ALA A 92 72.722 78.685 76.311 1.00 50.05 H -ATOM 1336 N VAL A 93 70.313 78.751 74.595 1.00 38.62 N -ATOM 1337 CA VAL A 93 68.905 78.338 74.732 1.00 40.49 C -ATOM 1338 C VAL A 93 68.813 77.127 75.673 1.00 35.05 C -ATOM 1339 O VAL A 93 69.759 76.349 75.762 1.00 33.81 O -ATOM 1340 CB VAL A 93 68.316 78.040 73.336 1.00 43.78 C -ATOM 1341 CG1 VAL A 93 66.916 77.422 73.357 1.00 46.47 C -ATOM 1342 CG2 VAL A 93 68.220 79.312 72.491 1.00 44.49 C -ATOM 1343 H VAL A 93 70.958 78.014 74.353 1.00 46.34 H -ATOM 1344 HA VAL A 93 68.333 79.148 75.184 1.00 48.58 H -ATOM 1345 HB VAL A 93 68.976 77.341 72.824 1.00 52.54 H -ATOM 1346 HG11 VAL A 93 66.549 77.305 72.339 1.00 55.77 H -ATOM 1347 HG12 VAL A 93 66.943 76.432 73.808 1.00 55.77 H -ATOM 1348 HG13 VAL A 93 66.232 78.063 73.910 1.00 55.77 H -ATOM 1349 HG21 VAL A 93 67.896 79.061 71.482 1.00 53.39 H -ATOM 1350 HG22 VAL A 93 67.500 80.001 72.931 1.00 53.39 H -ATOM 1351 HG23 VAL A 93 69.190 79.800 72.424 1.00 53.39 H -ATOM 1352 N TYR A 94 67.698 76.938 76.382 1.00 29.15 N -ATOM 1353 CA TYR A 94 67.587 75.917 77.434 1.00 24.64 C -ATOM 1354 C TYR A 94 66.236 75.183 77.483 1.00 28.53 C -ATOM 1355 O TYR A 94 65.207 75.799 77.220 1.00 31.16 O -ATOM 1356 CB TYR A 94 67.864 76.627 78.750 1.00 21.32 C -ATOM 1357 CG TYR A 94 69.267 77.179 78.826 1.00 22.32 C -ATOM 1358 CD1 TYR A 94 70.317 76.313 79.162 1.00 27.71 C -ATOM 1359 CD2 TYR A 94 69.535 78.522 78.517 1.00 24.85 C -ATOM 1360 CE1 TYR A 94 71.633 76.792 79.233 1.00 37.71 C -ATOM 1361 CE2 TYR A 94 70.858 79.003 78.574 1.00 26.41 C -ATOM 1362 CZ TYR A 94 71.912 78.141 78.938 1.00 33.90 C -ATOM 1363 OH TYR A 94 73.198 78.589 78.981 1.00 38.76 O -ATOM 1364 H TYR A 94 66.951 77.610 76.293 1.00 34.98 H -ATOM 1365 HA TYR A 94 68.354 75.154 77.295 1.00 29.57 H -ATOM 1366 HB2 TYR A 94 67.147 77.437 78.879 1.00 25.59 H -ATOM 1367 HB3 TYR A 94 67.720 75.924 79.570 1.00 25.59 H -ATOM 1368 HD1 TYR A 94 70.107 75.278 79.385 1.00 33.25 H -ATOM 1369 HD2 TYR A 94 68.728 79.180 78.230 1.00 29.82 H -ATOM 1370 HE1 TYR A 94 72.428 76.126 79.533 1.00 45.25 H -ATOM 1371 HE2 TYR A 94 71.076 80.033 78.335 1.00 31.69 H -ATOM 1372 HH TYR A 94 73.267 79.530 78.806 1.00 46.51 H -ATOM 1373 N TYR A 95 66.229 73.900 77.877 1.00 23.04 N -ATOM 1374 CA TYR A 95 65.057 73.008 77.961 1.00 22.67 C -ATOM 1375 C TYR A 95 65.093 72.077 79.184 1.00 22.07 C -ATOM 1376 O TYR A 95 66.164 71.741 79.684 1.00 24.16 O -ATOM 1377 CB TYR A 95 64.983 72.082 76.739 1.00 24.46 C -ATOM 1378 CG TYR A 95 65.091 72.721 75.378 1.00 23.79 C -ATOM 1379 CD1 TYR A 95 64.189 73.722 75.003 1.00 26.56 C -ATOM 1380 CD2 TYR A 95 66.073 72.287 74.474 1.00 24.14 C -ATOM 1381 CE1 TYR A 95 64.328 74.361 73.760 1.00 28.38 C -ATOM 1382 CE2 TYR A 95 66.177 72.882 73.208 1.00 26.31 C -ATOM 1383 CZ TYR A 95 65.319 73.940 72.859 1.00 28.60 C -ATOM 1384 OH TYR A 95 65.441 74.547 71.656 1.00 34.45 O -ATOM 1385 H TYR A 95 67.119 73.478 78.097 1.00 27.64 H -ATOM 1386 HA TYR A 95 64.148 73.607 78.009 1.00 27.20 H -ATOM 1387 HB2 TYR A 95 65.774 71.338 76.831 1.00 29.36 H -ATOM 1388 HB3 TYR A 95 64.036 71.545 76.771 1.00 29.36 H -ATOM 1389 HD1 TYR A 95 63.402 74.002 75.686 1.00 31.87 H -ATOM 1390 HD2 TYR A 95 66.750 71.492 74.749 1.00 28.97 H -ATOM 1391 HE1 TYR A 95 63.673 75.170 73.474 1.00 34.06 H -ATOM 1392 HE2 TYR A 95 66.919 72.532 72.507 1.00 31.57 H -ATOM 1393 HH TYR A 95 66.150 74.157 71.142 1.00 41.34 H -ATOM 1394 N CYS A 96 63.933 71.561 79.595 1.00 23.02 N -ATOM 1395 CA CYS A 96 63.794 70.626 80.715 1.00 22.79 C -ATOM 1396 C CYS A 96 62.971 69.400 80.361 1.00 27.43 C -ATOM 1397 O CYS A 96 62.038 69.506 79.569 1.00 28.95 O -ATOM 1398 CB CYS A 96 63.112 71.334 81.876 1.00 30.95 C -ATOM 1399 SG CYS A 96 64.217 72.619 82.454 1.00 32.79 S -ATOM 1400 H CYS A 96 63.085 71.852 79.132 1.00 27.62 H -ATOM 1401 HA CYS A 96 64.775 70.285 81.045 1.00 27.35 H -ATOM 1402 HB2 CYS A 96 62.170 71.769 81.547 1.00 37.14 H -ATOM 1403 HB3 CYS A 96 62.918 70.628 82.682 1.00 37.14 H -ATOM 1404 HG CYS A 96 63.320 73.340 83.129 1.00 39.35 H -ATOM 1405 N ALA A 97 63.257 68.264 80.993 1.00 27.76 N -ATOM 1406 CA ALA A 97 62.535 67.026 80.744 1.00 30.53 C -ATOM 1407 C ALA A 97 62.277 66.161 81.973 1.00 34.03 C -ATOM 1408 O ALA A 97 63.087 66.123 82.899 1.00 32.74 O -ATOM 1409 CB ALA A 97 63.302 66.210 79.719 1.00 30.71 C -ATOM 1410 H ALA A 97 64.039 68.240 81.631 1.00 33.32 H -ATOM 1411 HA ALA A 97 61.560 67.286 80.332 1.00 36.64 H -ATOM 1412 HB1 ALA A 97 62.919 65.191 79.687 1.00 36.85 H -ATOM 1413 HB2 ALA A 97 63.159 66.643 78.730 1.00 36.85 H -ATOM 1414 HB3 ALA A 97 64.360 66.188 79.979 1.00 36.85 H -ATOM 1415 N GLN A 98 61.158 65.430 81.921 1.00 37.48 N -ATOM 1416 CA GLN A 98 60.688 64.464 82.923 1.00 38.82 C -ATOM 1417 C GLN A 98 61.073 63.016 82.609 1.00 43.10 C -ATOM 1418 O GLN A 98 61.058 62.573 81.454 1.00 42.59 O -ATOM 1419 CB GLN A 98 59.163 64.540 83.105 1.00 43.56 C -ATOM 1420 CG GLN A 98 58.344 64.322 81.825 1.00 48.27 C -ATOM 1421 CD GLN A 98 57.751 62.925 81.591 1.00 70.70 C -ATOM 1422 OE1 GLN A 98 56.657 62.586 82.018 1.00 74.84 O -ATOM 1423 NE2 GLN A 98 58.370 62.148 80.746 1.00 73.83 N -ATOM 1424 H GLN A 98 60.624 65.506 81.069 1.00 44.97 H -ATOM 1425 HA GLN A 98 61.139 64.725 83.880 1.00 46.59 H -ATOM 1426 HB2 GLN A 98 58.842 63.833 83.870 1.00 52.27 H -ATOM 1427 HB3 GLN A 98 58.938 65.539 83.475 1.00 52.27 H -ATOM 1428 HG2 GLN A 98 57.509 65.020 81.851 1.00 57.92 H -ATOM 1429 HG3 GLN A 98 58.943 64.602 80.960 1.00 57.92 H -ATOM 1430 HE21 GLN A 98 57.865 61.355 80.377 1.00 88.59 H -ATOM 1431 HE22 GLN A 98 59.341 62.323 80.532 1.00 88.59 H -ATOM 1432 N GLU A 99 61.326 62.253 83.670 1.00 40.86 N -ATOM 1433 CA GLU A 99 61.277 60.788 83.638 1.00 45.09 C -ATOM 1434 C GLU A 99 59.894 60.282 83.184 1.00 44.15 C -ATOM 1435 O GLU A 99 58.882 60.922 83.454 1.00 49.06 O -ATOM 1436 CB GLU A 99 61.614 60.212 85.037 1.00 54.53 C -ATOM 1437 CG GLU A 99 60.754 60.771 86.194 1.00 65.68 C -ATOM 1438 CD GLU A 99 60.610 59.854 87.426 1.00 65.52 C -ATOM 1439 OE1 GLU A 99 60.363 58.642 87.262 1.00 57.42 O -ATOM 1440 OE2 GLU A 99 60.645 60.363 88.566 1.00 65.48 O -ATOM 1441 H GLU A 99 61.340 62.697 84.577 1.00 49.04 H -ATOM 1442 HA GLU A 99 62.025 60.429 82.931 1.00 54.10 H -ATOM 1443 HB2 GLU A 99 61.495 59.130 84.983 1.00 65.43 H -ATOM 1444 HB3 GLU A 99 62.660 60.415 85.261 1.00 65.43 H -ATOM 1445 HG2 GLU A 99 61.176 61.733 86.482 1.00 78.81 H -ATOM 1446 HG3 GLU A 99 59.747 60.958 85.823 1.00 78.81 H -ATOM 1447 N ARG A 100 59.848 59.095 82.568 1.00 46.38 N -ATOM 1448 CA ARG A 100 58.653 58.241 82.625 1.00 46.17 C -ATOM 1449 C ARG A 100 58.982 56.799 82.294 1.00 56.90 C -ATOM 1450 O ARG A 100 58.954 55.964 83.187 1.00 67.49 O -ATOM 1451 CB ARG A 100 57.488 58.778 81.771 1.00 44.96 C -ATOM 1452 CG ARG A 100 56.252 59.084 82.628 1.00 42.52 C -ATOM 1453 CD ARG A 100 55.051 59.408 81.745 1.00 45.44 C -ATOM 1454 NE ARG A 100 54.599 58.210 81.016 1.00 49.38 N -ATOM 1455 CZ ARG A 100 54.286 58.135 79.738 1.00 55.15 C -ATOM 1456 NH1 ARG A 100 53.772 57.052 79.244 1.00 44.34 N -ATOM 1457 NH2 ARG A 100 54.480 59.111 78.912 1.00 63.71 N -ATOM 1458 H ARG A 100 60.726 58.640 82.369 1.00 55.66 H -ATOM 1459 HA ARG A 100 58.322 58.225 83.663 1.00 55.40 H -ATOM 1460 HB2 ARG A 100 57.788 59.697 81.270 1.00 53.95 H -ATOM 1461 HB3 ARG A 100 57.220 58.057 81.000 1.00 53.95 H -ATOM 1462 HG2 ARG A 100 56.013 58.228 83.259 1.00 51.03 H -ATOM 1463 HG3 ARG A 100 56.457 59.936 83.275 1.00 51.03 H -ATOM 1464 HD2 ARG A 100 54.239 59.756 82.382 1.00 54.53 H -ATOM 1465 HD3 ARG A 100 55.314 60.219 81.067 1.00 54.53 H -ATOM 1466 HE ARG A 100 54.505 57.363 81.555 1.00 59.26 H -ATOM 1467 HH11 ARG A 100 53.590 56.264 79.847 1.00 53.21 H -ATOM 1468 HH12 ARG A 100 53.519 57.015 78.268 1.00 53.21 H -ATOM 1469 HH21 ARG A 100 55.185 59.791 79.152 1.00 76.46 H -ATOM 1470 HH22 ARG A 100 54.277 58.985 77.931 1.00 76.46 H -ATOM 1471 N TYR A 101 59.300 56.492 81.038 1.00 55.22 N -ATOM 1472 CA TYR A 101 59.354 55.106 80.570 1.00 72.14 C -ATOM 1473 C TYR A 101 60.482 54.291 81.242 1.00 76.73 C -ATOM 1474 O TYR A 101 61.666 54.591 81.088 1.00 72.02 O -ATOM 1475 CB TYR A 101 59.421 55.082 79.039 1.00 66.74 C -ATOM 1476 CG TYR A 101 59.180 53.715 78.408 1.00 78.17 C -ATOM 1477 CD1 TYR A 101 57.880 53.165 78.392 1.00 73.88 C -ATOM 1478 CD2 TYR A 101 60.239 53.007 77.803 1.00 74.45 C -ATOM 1479 CE1 TYR A 101 57.644 51.918 77.782 1.00 63.72 C -ATOM 1480 CE2 TYR A 101 59.999 51.765 77.178 1.00 81.81 C -ATOM 1481 CZ TYR A 101 58.700 51.220 77.166 1.00 70.84 C -ATOM 1482 OH TYR A 101 58.464 50.027 76.570 1.00 70.79 O -ATOM 1483 H TYR A 101 59.349 57.235 80.358 1.00 66.27 H -ATOM 1484 HA TYR A 101 58.405 54.642 80.839 1.00 86.56 H -ATOM 1485 HB2 TYR A 101 58.655 55.752 78.649 1.00 80.09 H -ATOM 1486 HB3 TYR A 101 60.386 55.471 78.717 1.00 80.09 H -ATOM 1487 HD1 TYR A 101 57.061 53.704 78.844 1.00 88.66 H -ATOM 1488 HD2 TYR A 101 61.236 53.421 77.807 1.00 89.34 H -ATOM 1489 HE1 TYR A 101 56.653 51.489 77.785 1.00 76.47 H -ATOM 1490 HE2 TYR A 101 60.812 51.234 76.707 1.00 98.18 H -ATOM 1491 HH TYR A 101 59.270 49.533 76.428 1.00 84.95 H -ATOM 1492 N CYS A 102 60.093 53.257 82.000 1.00 76.25 N -ATOM 1493 CA CYS A 102 60.955 52.354 82.765 1.00 68.74 C -ATOM 1494 C CYS A 102 60.172 51.084 83.120 1.00 64.17 C -ATOM 1495 O CYS A 102 59.031 51.183 83.569 1.00 70.68 O -ATOM 1496 CB CYS A 102 61.419 53.072 84.042 1.00 60.85 C -ATOM 1497 SG CYS A 102 62.474 51.988 85.042 1.00 60.14 S -ATOM 1498 H CYS A 102 59.102 53.072 82.052 1.00 91.50 H -ATOM 1499 HA CYS A 102 61.822 52.087 82.161 1.00 82.49 H -ATOM 1500 HB2 CYS A 102 61.975 53.971 83.776 1.00 73.02 H -ATOM 1501 HB3 CYS A 102 60.549 53.365 84.630 1.00 73.02 H -ATOM 1502 HG CYS A 102 62.637 52.826 86.058 1.00 72.17 H -ATOM 1503 N ASP A 103 60.743 49.894 82.944 1.00 64.39 N -ATOM 1504 CA ASP A 103 60.172 48.660 83.497 1.00 70.10 C -ATOM 1505 C ASP A 103 61.213 47.544 83.648 1.00 77.58 C -ATOM 1506 O ASP A 103 62.241 47.563 82.972 1.00 66.73 O -ATOM 1507 CB ASP A 103 59.006 48.150 82.637 1.00 69.41 C -ATOM 1508 CG ASP A 103 58.204 47.102 83.410 1.00 71.84 C -ATOM 1509 OD1 ASP A 103 57.959 47.336 84.621 1.00 69.54 O -ATOM 1510 OD2 ASP A 103 57.945 46.021 82.842 1.00 82.36 O -ATOM 1511 H ASP A 103 61.679 49.841 82.570 1.00 77.27 H -ATOM 1512 HA ASP A 103 59.797 48.895 84.492 1.00 84.12 H -ATOM 1513 HB2 ASP A 103 58.347 48.976 82.372 1.00 83.29 H -ATOM 1514 HB3 ASP A 103 59.401 47.728 81.713 1.00 83.29 H -ATOM 1515 N SER A 104 60.942 46.558 84.516 1.00 69.15 N -ATOM 1516 CA SER A 104 61.804 45.391 84.778 1.00 59.84 C -ATOM 1517 C SER A 104 63.264 45.754 85.113 1.00 62.63 C -ATOM 1518 O SER A 104 64.171 44.938 84.938 1.00 66.33 O -ATOM 1519 CB SER A 104 61.692 44.389 83.617 1.00 53.27 C -ATOM 1520 OG SER A 104 62.363 43.179 83.906 1.00 56.33 O -ATOM 1521 H SER A 104 60.052 46.587 84.991 1.00 82.97 H -ATOM 1522 HA SER A 104 61.405 44.898 85.663 1.00 71.80 H -ATOM 1523 HB2 SER A 104 60.640 44.173 83.433 1.00 63.92 H -ATOM 1524 HB3 SER A 104 62.120 44.829 82.717 1.00 63.92 H -ATOM 1525 HG SER A 104 63.262 43.419 84.133 1.00 67.59 H -ATOM 1526 N GLY A 105 63.515 46.992 85.549 1.00 64.30 N -ATOM 1527 CA GLY A 105 64.842 47.606 85.627 1.00 61.19 C -ATOM 1528 C GLY A 105 65.478 47.802 84.250 1.00 59.12 C -ATOM 1529 O GLY A 105 65.483 48.900 83.696 1.00 57.12 O -ATOM 1530 H GLY A 105 62.719 47.595 85.697 1.00 77.16 H -ATOM 1531 HA2 GLY A 105 64.761 48.579 86.110 1.00 73.43 H -ATOM 1532 HA3 GLY A 105 65.497 46.980 86.232 1.00 73.43 H -ATOM 1533 N SER A 106 66.003 46.710 83.696 1.00 59.34 N -ATOM 1534 CA SER A 106 66.615 46.579 82.373 1.00 56.46 C -ATOM 1535 C SER A 106 67.932 47.331 82.156 1.00 53.79 C -ATOM 1536 O SER A 106 68.908 46.726 81.726 1.00 57.06 O -ATOM 1537 CB SER A 106 65.571 46.896 81.302 1.00 57.58 C -ATOM 1538 OG SER A 106 66.047 46.516 80.033 1.00 64.73 O -ATOM 1539 H SER A 106 65.885 45.857 84.222 1.00 71.21 H -ATOM 1540 HA SER A 106 66.855 45.523 82.255 1.00 67.75 H -ATOM 1541 HB2 SER A 106 64.658 46.344 81.517 1.00 69.09 H -ATOM 1542 HB3 SER A 106 65.350 47.962 81.295 1.00 69.09 H -ATOM 1543 HG SER A 106 66.317 47.312 79.573 1.00 77.68 H -ATOM 1544 N CYS A 107 68.009 48.623 82.465 1.00 50.78 N -ATOM 1545 CA CYS A 107 69.245 49.408 82.371 1.00 51.96 C -ATOM 1546 C CYS A 107 70.255 49.096 83.496 1.00 46.26 C -ATOM 1547 O CYS A 107 71.464 49.184 83.297 1.00 48.88 O -ATOM 1548 CB CYS A 107 68.837 50.880 82.390 1.00 48.54 C -ATOM 1549 SG CYS A 107 68.012 51.224 83.958 1.00 45.94 S -ATOM 1550 H CYS A 107 67.187 49.080 82.834 1.00 60.94 H -ATOM 1551 HA CYS A 107 69.742 49.200 81.424 1.00 62.35 H -ATOM 1552 HB2 CYS A 107 69.719 51.511 82.290 1.00 58.25 H -ATOM 1553 HB3 CYS A 107 68.157 51.088 81.565 1.00 58.25 H -ATOM 1554 HG CYS A 107 68.879 52.148 84.380 1.00 55.12 H -ATOM 1555 N TYR A 108 69.764 48.746 84.685 1.00 49.00 N -ATOM 1556 CA TYR A 108 70.524 48.403 85.895 1.00 55.64 C -ATOM 1557 C TYR A 108 71.502 49.487 86.421 1.00 49.01 C -ATOM 1558 O TYR A 108 72.245 49.264 87.374 1.00 48.39 O -ATOM 1559 CB TYR A 108 71.082 46.975 85.761 1.00 58.79 C -ATOM 1560 CG TYR A 108 70.027 45.924 85.402 1.00 60.76 C -ATOM 1561 CD1 TYR A 108 68.898 45.742 86.228 1.00 61.75 C -ATOM 1562 CD2 TYR A 108 70.163 45.124 84.250 1.00 58.59 C -ATOM 1563 CE1 TYR A 108 67.920 44.779 85.912 1.00 59.73 C -ATOM 1564 CE2 TYR A 108 69.189 44.155 83.931 1.00 53.38 C -ATOM 1565 CZ TYR A 108 68.068 43.976 84.765 1.00 51.09 C -ATOM 1566 OH TYR A 108 67.139 43.029 84.476 1.00 44.63 O -ATOM 1567 H TYR A 108 68.758 48.740 84.762 1.00 58.80 H -ATOM 1568 HA TYR A 108 69.782 48.350 86.690 1.00 66.77 H -ATOM 1569 HB2 TYR A 108 71.868 46.976 85.007 1.00 70.55 H -ATOM 1570 HB3 TYR A 108 71.538 46.687 86.706 1.00 70.55 H -ATOM 1571 HD1 TYR A 108 68.784 46.335 87.122 1.00 74.10 H -ATOM 1572 HD2 TYR A 108 71.017 45.255 83.604 1.00 70.30 H -ATOM 1573 HE1 TYR A 108 67.064 44.634 86.553 1.00 71.67 H -ATOM 1574 HE2 TYR A 108 69.306 43.545 83.048 1.00 64.05 H -ATOM 1575 HH TYR A 108 67.421 42.470 83.751 1.00 53.55 H -ATOM 1576 N GLU A 109 71.425 50.703 85.878 1.00 44.33 N -ATOM 1577 CA GLU A 109 71.904 51.972 86.443 1.00 43.54 C -ATOM 1578 C GLU A 109 70.957 53.096 85.975 1.00 41.29 C -ATOM 1579 O GLU A 109 70.464 53.026 84.852 1.00 45.45 O -ATOM 1580 CB GLU A 109 73.353 52.221 85.991 1.00 43.22 C -ATOM 1581 CG GLU A 109 73.873 53.591 86.444 1.00 41.77 C -ATOM 1582 CD GLU A 109 75.373 53.754 86.179 1.00 47.37 C -ATOM 1583 OE1 GLU A 109 75.844 53.430 85.065 1.00 50.11 O -ATOM 1584 OE2 GLU A 109 76.091 54.230 87.085 1.00 40.43 O -ATOM 1585 H GLU A 109 70.836 50.792 85.063 1.00 53.19 H -ATOM 1586 HA GLU A 109 71.877 51.926 87.532 1.00 52.25 H -ATOM 1587 HB2 GLU A 109 73.988 51.444 86.413 1.00 51.86 H -ATOM 1588 HB3 GLU A 109 73.404 52.161 84.905 1.00 51.86 H -ATOM 1589 HG2 GLU A 109 73.336 54.378 85.915 1.00 50.12 H -ATOM 1590 HG3 GLU A 109 73.673 53.703 87.509 1.00 50.12 H -ATOM 1591 N ARG A 110 70.687 54.125 86.792 1.00 29.40 N -ATOM 1592 CA ARG A 110 69.710 55.198 86.498 1.00 23.56 C -ATOM 1593 C ARG A 110 68.351 54.658 86.027 1.00 26.72 C -ATOM 1594 O ARG A 110 67.579 54.161 86.843 1.00 31.68 O -ATOM 1595 CB ARG A 110 70.325 56.262 85.568 1.00 21.80 C -ATOM 1596 CG ARG A 110 71.280 57.193 86.324 1.00 25.83 C -ATOM 1597 CD ARG A 110 72.196 58.007 85.403 1.00 29.70 C -ATOM 1598 NE ARG A 110 71.476 58.822 84.406 1.00 19.51 N -ATOM 1599 CZ ARG A 110 72.040 59.448 83.391 1.00 16.17 C -ATOM 1600 NH1 ARG A 110 71.315 60.026 82.485 1.00 19.70 N -ATOM 1601 NH2 ARG A 110 73.332 59.496 83.255 1.00 23.74 N -ATOM 1602 H ARG A 110 71.131 54.132 87.698 1.00 35.28 H -ATOM 1603 HA ARG A 110 69.474 55.703 87.434 1.00 28.27 H -ATOM 1604 HB2 ARG A 110 70.854 55.773 84.752 1.00 26.17 H -ATOM 1605 HB3 ARG A 110 69.535 56.882 85.147 1.00 26.17 H -ATOM 1606 HG2 ARG A 110 70.698 57.873 86.944 1.00 30.99 H -ATOM 1607 HG3 ARG A 110 71.916 56.598 86.977 1.00 30.99 H -ATOM 1608 HD2 ARG A 110 72.806 58.661 86.022 1.00 35.64 H -ATOM 1609 HD3 ARG A 110 72.856 57.312 84.889 1.00 35.64 H -ATOM 1610 HE ARG A 110 70.471 58.869 84.478 1.00 23.41 H -ATOM 1611 HH11 ARG A 110 70.310 59.950 82.518 1.00 23.64 H -ATOM 1612 HH12 ARG A 110 71.771 60.507 81.725 1.00 23.64 H -ATOM 1613 HH21 ARG A 110 73.907 59.057 83.958 1.00 28.49 H -ATOM 1614 HH22 ARG A 110 73.764 59.815 82.400 1.00 28.49 H -ATOM 1615 N ASP A 111 68.051 54.745 84.731 1.00 28.15 N -ATOM 1616 CA ASP A 111 66.764 54.382 84.115 1.00 43.20 C -ATOM 1617 C ASP A 111 66.899 53.965 82.616 1.00 57.50 C -ATOM 1618 O ASP A 111 67.837 54.385 81.929 1.00 53.91 O -ATOM 1619 CB ASP A 111 65.763 55.559 84.204 1.00 34.91 C -ATOM 1620 CG ASP A 111 65.718 56.334 85.527 1.00 32.68 C -ATOM 1621 OD1 ASP A 111 66.666 57.081 85.848 1.00 39.58 O -ATOM 1622 OD2 ASP A 111 64.675 56.265 86.203 1.00 34.85 O -ATOM 1623 H ASP A 111 68.772 55.093 84.117 1.00 33.78 H -ATOM 1624 HA ASP A 111 66.347 53.544 84.672 1.00 51.84 H -ATOM 1625 HB2 ASP A 111 66.010 56.273 83.421 1.00 41.89 H -ATOM 1626 HB3 ASP A 111 64.768 55.176 83.979 1.00 41.89 H -ATOM 1627 N PRO A 112 65.928 53.226 82.047 1.00 54.94 N -ATOM 1628 CA PRO A 112 65.631 53.278 80.622 1.00 38.19 C -ATOM 1629 C PRO A 112 65.287 54.717 80.251 1.00 39.36 C -ATOM 1630 O PRO A 112 64.708 55.443 81.057 1.00 46.86 O -ATOM 1631 CB PRO A 112 64.449 52.328 80.398 1.00 47.82 C -ATOM 1632 CG PRO A 112 64.512 51.422 81.628 1.00 66.09 C -ATOM 1633 CD PRO A 112 64.922 52.419 82.703 1.00 65.12 C -ATOM 1634 HA PRO A 112 66.496 52.931 80.058 1.00 45.83 H -ATOM 1635 HB2 PRO A 112 63.508 52.876 80.393 1.00 57.38 H -ATOM 1636 HB3 PRO A 112 64.560 51.759 79.476 1.00 57.38 H -ATOM 1637 HG2 PRO A 112 63.563 50.933 81.846 1.00 79.31 H -ATOM 1638 HG3 PRO A 112 65.297 50.677 81.499 1.00 79.31 H -ATOM 1639 HD2 PRO A 112 64.078 53.052 82.971 1.00 78.14 H -ATOM 1640 HD3 PRO A 112 65.309 51.898 83.577 1.00 78.14 H -ATOM 1641 N VAL A 113 65.717 55.150 79.067 1.00 41.95 N -ATOM 1642 CA VAL A 113 65.891 56.577 78.752 1.00 43.09 C -ATOM 1643 C VAL A 113 64.643 57.460 78.990 1.00 46.11 C -ATOM 1644 O VAL A 113 63.508 57.024 78.805 1.00 51.72 O -ATOM 1645 CB VAL A 113 66.464 56.756 77.340 1.00 36.83 C -ATOM 1646 CG1 VAL A 113 67.886 56.197 77.252 1.00 33.24 C -ATOM 1647 CG2 VAL A 113 65.615 56.124 76.242 1.00 48.64 C -ATOM 1648 H VAL A 113 66.146 54.482 78.445 1.00 50.34 H -ATOM 1649 HA VAL A 113 66.653 56.950 79.436 1.00 51.71 H -ATOM 1650 HB VAL A 113 66.517 57.825 77.144 1.00 44.19 H -ATOM 1651 HG11 VAL A 113 68.275 56.340 76.246 1.00 39.89 H -ATOM 1652 HG12 VAL A 113 68.531 56.713 77.958 1.00 39.89 H -ATOM 1653 HG13 VAL A 113 67.897 55.133 77.472 1.00 39.89 H -ATOM 1654 HG21 VAL A 113 66.034 56.372 75.268 1.00 58.37 H -ATOM 1655 HG22 VAL A 113 65.591 55.042 76.346 1.00 58.37 H -ATOM 1656 HG23 VAL A 113 64.601 56.514 76.290 1.00 58.37 H -ATOM 1657 N PHE A 114 64.877 58.706 79.430 1.00 37.00 N -ATOM 1658 CA PHE A 114 63.875 59.721 79.793 1.00 34.68 C -ATOM 1659 C PHE A 114 62.887 60.040 78.642 1.00 30.65 C -ATOM 1660 O PHE A 114 63.058 59.544 77.533 1.00 31.90 O -ATOM 1661 CB PHE A 114 64.594 61.004 80.251 1.00 39.22 C -ATOM 1662 CG PHE A 114 65.812 60.905 81.175 1.00 44.90 C -ATOM 1663 CD1 PHE A 114 67.089 60.634 80.637 1.00 44.85 C -ATOM 1664 CD2 PHE A 114 65.706 61.262 82.537 1.00 42.22 C -ATOM 1665 CE1 PHE A 114 68.243 60.719 81.435 1.00 29.64 C -ATOM 1666 CE2 PHE A 114 66.858 61.346 83.341 1.00 36.77 C -ATOM 1667 CZ PHE A 114 68.126 61.086 82.788 1.00 28.93 C -ATOM 1668 H PHE A 114 65.841 58.969 79.574 1.00 44.40 H -ATOM 1669 HA PHE A 114 63.298 59.337 80.634 1.00 41.61 H -ATOM 1670 HB2 PHE A 114 64.920 61.532 79.356 1.00 47.06 H -ATOM 1671 HB3 PHE A 114 63.856 61.648 80.727 1.00 47.06 H -ATOM 1672 HD1 PHE A 114 67.191 60.413 79.585 1.00 53.82 H -ATOM 1673 HD2 PHE A 114 64.742 61.502 82.960 1.00 50.66 H -ATOM 1674 HE1 PHE A 114 69.208 60.551 80.982 1.00 35.57 H -ATOM 1675 HE2 PHE A 114 66.766 61.619 84.381 1.00 44.13 H -ATOM 1676 HZ PHE A 114 69.002 61.192 83.410 1.00 34.72 H -ATOM 1677 N GLU A 115 61.818 60.821 78.874 1.00 28.32 N -ATOM 1678 CA GLU A 115 60.622 60.644 78.036 1.00 24.66 C -ATOM 1679 C GLU A 115 59.828 61.875 77.573 1.00 28.27 C -ATOM 1680 O GLU A 115 59.174 61.734 76.545 1.00 35.36 O -ATOM 1681 CB GLU A 115 59.745 59.602 78.735 1.00 34.73 C -ATOM 1682 CG GLU A 115 58.612 59.027 77.880 1.00 44.04 C -ATOM 1683 CD GLU A 115 57.295 59.820 77.902 1.00 56.73 C -ATOM 1684 OE1 GLU A 115 56.939 60.400 78.954 1.00 50.86 O -ATOM 1685 OE2 GLU A 115 56.544 59.736 76.903 1.00 60.67 O -ATOM 1686 H GLU A 115 61.722 61.274 79.770 1.00 33.99 H -ATOM 1687 HA GLU A 115 60.920 60.185 77.094 1.00 29.59 H -ATOM 1688 HB2 GLU A 115 60.385 58.758 78.993 1.00 41.68 H -ATOM 1689 HB3 GLU A 115 59.366 60.005 79.674 1.00 41.68 H -ATOM 1690 HG2 GLU A 115 58.973 58.900 76.860 1.00 52.84 H -ATOM 1691 HG3 GLU A 115 58.395 58.031 78.263 1.00 52.84 H -ATOM 1692 N TYR A 116 59.876 63.066 78.196 1.00 29.26 N -ATOM 1693 CA TYR A 116 59.152 64.252 77.665 1.00 31.05 C -ATOM 1694 C TYR A 116 59.795 65.615 77.998 1.00 30.23 C -ATOM 1695 O TYR A 116 60.356 65.764 79.076 1.00 31.10 O -ATOM 1696 CB TYR A 116 57.679 64.212 78.101 1.00 31.93 C -ATOM 1697 CG TYR A 116 56.850 65.356 77.566 1.00 34.68 C -ATOM 1698 CD1 TYR A 116 56.727 65.512 76.177 1.00 37.55 C -ATOM 1699 CD2 TYR A 116 56.260 66.296 78.434 1.00 41.04 C -ATOM 1700 CE1 TYR A 116 56.089 66.646 75.644 1.00 47.06 C -ATOM 1701 CE2 TYR A 116 55.588 67.416 77.906 1.00 48.32 C -ATOM 1702 CZ TYR A 116 55.542 67.615 76.511 1.00 51.90 C -ATOM 1703 OH TYR A 116 55.007 68.754 76.002 1.00 55.48 O -ATOM 1704 H TYR A 116 60.472 63.189 79.001 1.00 35.12 H -ATOM 1705 HA TYR A 116 59.166 64.181 76.578 1.00 37.26 H -ATOM 1706 HB2 TYR A 116 57.229 63.278 77.766 1.00 38.31 H -ATOM 1707 HB3 TYR A 116 57.624 64.239 79.188 1.00 38.31 H -ATOM 1708 HD1 TYR A 116 57.156 64.774 75.515 1.00 45.06 H -ATOM 1709 HD2 TYR A 116 56.335 66.172 79.504 1.00 49.24 H -ATOM 1710 HE1 TYR A 116 56.035 66.784 74.575 1.00 56.48 H -ATOM 1711 HE2 TYR A 116 55.137 68.144 78.562 1.00 57.98 H -ATOM 1712 HH TYR A 116 55.135 68.802 75.053 1.00 66.58 H -ATOM 1713 N TRP A 117 59.677 66.599 77.089 1.00 30.28 N -ATOM 1714 CA TRP A 117 60.452 67.855 76.998 1.00 26.64 C -ATOM 1715 C TRP A 117 59.619 69.150 76.997 1.00 30.37 C -ATOM 1716 O TRP A 117 58.578 69.220 76.352 1.00 35.90 O -ATOM 1717 CB TRP A 117 61.199 67.880 75.654 1.00 23.31 C -ATOM 1718 CG TRP A 117 62.517 67.192 75.583 1.00 19.91 C -ATOM 1719 CD1 TRP A 117 62.848 66.173 74.768 1.00 23.43 C -ATOM 1720 CD2 TRP A 117 63.726 67.534 76.300 1.00 17.15 C -ATOM 1721 NE1 TRP A 117 64.173 65.858 74.951 1.00 21.46 N -ATOM 1722 CE2 TRP A 117 64.732 66.606 75.944 1.00 18.63 C -ATOM 1723 CE3 TRP A 117 64.055 68.511 77.254 1.00 24.86 C -ATOM 1724 CZ2 TRP A 117 65.963 66.555 76.592 1.00 28.16 C -ATOM 1725 CZ3 TRP A 117 65.264 68.437 77.963 1.00 33.24 C -ATOM 1726 CH2 TRP A 117 66.187 67.422 77.667 1.00 20.32 C -ATOM 1727 H TRP A 117 59.062 66.417 76.311 1.00 36.33 H -ATOM 1728 HA TRP A 117 61.173 67.903 77.814 1.00 31.97 H -ATOM 1729 HB2 TRP A 117 60.546 67.496 74.871 1.00 27.97 H -ATOM 1730 HB3 TRP A 117 61.409 68.916 75.390 1.00 27.97 H -ATOM 1731 HD1 TRP A 117 62.182 65.703 74.061 1.00 28.11 H -ATOM 1732 HE1 TRP A 117 64.661 65.130 74.450 1.00 25.75 H -ATOM 1733 HE3 TRP A 117 63.329 69.273 77.495 1.00 29.84 H -ATOM 1734 HZ2 TRP A 117 66.689 65.800 76.330 1.00 33.79 H -ATOM 1735 HZ3 TRP A 117 65.476 69.136 78.758 1.00 39.88 H -ATOM 1736 HH2 TRP A 117 67.074 67.303 78.271 1.00 24.38 H -ATOM 1737 N GLY A 118 60.145 70.224 77.593 1.00 29.70 N -ATOM 1738 CA GLY A 118 59.612 71.593 77.514 1.00 36.86 C -ATOM 1739 C GLY A 118 59.871 72.338 76.196 1.00 31.94 C -ATOM 1740 O GLY A 118 60.451 71.785 75.267 1.00 32.34 O -ATOM 1741 H GLY A 118 60.973 70.078 78.153 1.00 35.64 H -ATOM 1742 HA2 GLY A 118 58.533 71.554 77.657 1.00 44.24 H -ATOM 1743 HA3 GLY A 118 60.033 72.183 78.326 1.00 44.24 H -ATOM 1744 N GLN A 119 59.433 73.599 76.108 1.00 32.34 N -ATOM 1745 CA GLN A 119 59.508 74.465 74.917 1.00 31.69 C -ATOM 1746 C GLN A 119 60.770 75.347 74.870 1.00 34.66 C -ATOM 1747 O GLN A 119 61.298 75.583 73.789 1.00 37.12 O -ATOM 1748 CB GLN A 119 58.287 75.403 74.862 1.00 33.24 C -ATOM 1749 CG GLN A 119 56.909 74.723 74.767 1.00 34.40 C -ATOM 1750 CD GLN A 119 56.553 74.195 73.382 1.00 33.01 C -ATOM 1751 OE1 GLN A 119 57.314 74.247 72.428 1.00 31.09 O -ATOM 1752 NE2 GLN A 119 55.365 73.665 73.215 1.00 39.84 N -ATOM 1753 H GLN A 119 59.086 74.040 76.948 1.00 38.81 H -ATOM 1754 HA GLN A 119 59.504 73.845 74.021 1.00 38.02 H -ATOM 1755 HB2 GLN A 119 58.292 76.022 75.759 1.00 39.89 H -ATOM 1756 HB3 GLN A 119 58.396 76.081 74.016 1.00 39.89 H -ATOM 1757 HG2 GLN A 119 56.841 73.910 75.488 1.00 41.27 H -ATOM 1758 HG3 GLN A 119 56.152 75.459 75.038 1.00 41.27 H -ATOM 1759 HE21 GLN A 119 55.116 73.316 72.301 1.00 47.81 H -ATOM 1760 HE22 GLN A 119 54.717 73.619 73.986 1.00 47.81 H -ATOM 1761 N GLY A 120 61.260 75.843 76.009 1.00 38.73 N -ATOM 1762 CA GLY A 120 62.529 76.584 76.144 1.00 42.67 C -ATOM 1763 C GLY A 120 62.566 78.039 75.658 1.00 51.31 C -ATOM 1764 O GLY A 120 61.638 78.537 75.022 1.00 56.41 O -ATOM 1765 H GLY A 120 60.705 75.687 76.837 1.00 46.48 H -ATOM 1766 HA2 GLY A 120 62.817 76.577 77.195 1.00 51.21 H -ATOM 1767 HA3 GLY A 120 63.314 76.073 75.587 1.00 51.21 H -ATOM 1768 N THR A 121 63.659 78.738 75.980 1.00 50.03 N -ATOM 1769 CA THR A 121 63.843 80.181 75.714 1.00 55.69 C -ATOM 1770 C THR A 121 65.311 80.560 75.531 1.00 52.36 C -ATOM 1771 O THR A 121 66.205 79.892 76.053 1.00 49.45 O -ATOM 1772 CB THR A 121 63.224 81.022 76.845 1.00 69.48 C -ATOM 1773 OG1 THR A 121 63.394 82.409 76.626 1.00 67.93 O -ATOM 1774 CG2 THR A 121 63.787 80.701 78.231 1.00 63.74 C -ATOM 1775 H THR A 121 64.395 78.263 76.482 1.00 60.04 H -ATOM 1776 HA THR A 121 63.322 80.436 74.792 1.00 66.83 H -ATOM 1777 HB THR A 121 62.155 80.814 76.862 1.00 83.37 H -ATOM 1778 HG1 THR A 121 64.310 82.640 76.787 1.00 81.52 H -ATOM 1779 HG21 THR A 121 63.202 81.223 78.987 1.00 76.49 H -ATOM 1780 HG22 THR A 121 63.700 79.636 78.437 1.00 76.49 H -ATOM 1781 HG23 THR A 121 64.834 80.988 78.302 1.00 76.49 H -ATOM 1782 N ARG A 122 65.551 81.673 74.831 1.00 49.81 N -ATOM 1783 CA ARG A 122 66.848 82.354 74.697 1.00 50.13 C -ATOM 1784 C ARG A 122 67.306 82.990 76.014 1.00 55.66 C -ATOM 1785 O ARG A 122 66.485 83.473 76.794 1.00 59.26 O -ATOM 1786 CB ARG A 122 66.687 83.420 73.597 1.00 52.33 C -ATOM 1787 CG ARG A 122 68.004 84.015 73.080 1.00 56.32 C -ATOM 1788 CD ARG A 122 67.763 85.194 72.123 1.00 70.02 C -ATOM 1789 NE ARG A 122 67.065 84.802 70.881 1.00 76.80 N -ATOM 1790 CZ ARG A 122 66.686 85.601 69.897 1.00 63.92 C -ATOM 1791 NH1 ARG A 122 66.082 85.120 68.850 1.00 55.88 N -ATOM 1792 NH2 ARG A 122 66.901 86.883 69.918 1.00 45.30 N -ATOM 1793 H ARG A 122 64.752 82.129 74.417 1.00 59.77 H -ATOM 1794 HA ARG A 122 67.603 81.630 74.394 1.00 60.16 H -ATOM 1795 HB2 ARG A 122 66.170 82.972 72.750 1.00 62.79 H -ATOM 1796 HB3 ARG A 122 66.060 84.224 73.979 1.00 62.79 H -ATOM 1797 HG2 ARG A 122 68.588 84.391 73.919 1.00 67.58 H -ATOM 1798 HG3 ARG A 122 68.581 83.242 72.576 1.00 67.58 H -ATOM 1799 HD2 ARG A 122 67.182 85.951 72.647 1.00 84.03 H -ATOM 1800 HD3 ARG A 122 68.729 85.625 71.867 1.00 84.03 H -ATOM 1801 HE ARG A 122 66.864 83.822 70.750 1.00 92.16 H -ATOM 1802 HH11 ARG A 122 65.886 84.133 68.785 1.00 67.05 H -ATOM 1803 HH12 ARG A 122 65.800 85.739 68.106 1.00 67.05 H -ATOM 1804 HH21 ARG A 122 67.378 87.288 70.710 1.00 54.36 H -ATOM 1805 HH22 ARG A 122 66.605 87.462 69.148 1.00 54.36 H -ATOM 1806 N VAL A 123 68.621 83.024 76.210 1.00 55.51 N -ATOM 1807 CA VAL A 123 69.361 83.774 77.237 1.00 60.22 C -ATOM 1808 C VAL A 123 70.523 84.504 76.575 1.00 61.86 C -ATOM 1809 O VAL A 123 71.262 83.888 75.810 1.00 55.48 O -ATOM 1810 CB VAL A 123 69.922 82.825 78.303 1.00 61.59 C -ATOM 1811 CG1 VAL A 123 70.816 83.549 79.316 1.00 65.11 C -ATOM 1812 CG2 VAL A 123 68.786 82.140 79.063 1.00 71.36 C -ATOM 1813 H VAL A 123 69.185 82.493 75.562 1.00 66.61 H -ATOM 1814 HA VAL A 123 68.703 84.491 77.728 1.00 72.27 H -ATOM 1815 HB VAL A 123 70.522 82.064 77.807 1.00 73.91 H -ATOM 1816 HG11 VAL A 123 71.111 82.857 80.104 1.00 78.14 H -ATOM 1817 HG12 VAL A 123 71.727 83.909 78.843 1.00 78.14 H -ATOM 1818 HG13 VAL A 123 70.278 84.381 79.766 1.00 78.14 H -ATOM 1819 HG21 VAL A 123 69.199 81.471 79.815 1.00 85.63 H -ATOM 1820 HG22 VAL A 123 68.162 82.886 79.551 1.00 85.63 H -ATOM 1821 HG23 VAL A 123 68.176 81.552 78.380 1.00 85.63 H -ATOM 1822 N THR A 124 70.741 85.792 76.851 1.00 65.85 N -ATOM 1823 CA THR A 124 71.874 86.545 76.283 1.00 67.14 C -ATOM 1824 C THR A 124 72.485 87.567 77.228 1.00 64.37 C -ATOM 1825 O THR A 124 71.785 88.397 77.804 1.00 69.52 O -ATOM 1826 CB THR A 124 71.467 87.217 74.969 1.00 71.04 C -ATOM 1827 OG1 THR A 124 71.238 86.220 74.007 1.00 76.81 O -ATOM 1828 CG2 THR A 124 72.517 88.150 74.372 1.00 70.00 C -ATOM 1829 H THR A 124 70.064 86.284 77.416 1.00 79.03 H -ATOM 1830 HA THR A 124 72.675 85.843 76.055 1.00 80.57 H -ATOM 1831 HB THR A 124 70.548 87.780 75.126 1.00 85.25 H -ATOM 1832 HG1 THR A 124 71.076 85.399 74.471 1.00 92.18 H -ATOM 1833 HG21 THR A 124 72.205 88.462 73.377 1.00 84.00 H -ATOM 1834 HG22 THR A 124 72.618 89.042 74.987 1.00 84.00 H -ATOM 1835 HG23 THR A 124 73.476 87.643 74.300 1.00 84.00 H -ATOM 1836 N VAL A 125 73.818 87.536 77.309 1.00 66.58 N -ATOM 1837 CA VAL A 125 74.677 88.514 77.992 1.00 68.05 C -ATOM 1838 C VAL A 125 74.602 89.865 77.271 1.00 74.78 C -ATOM 1839 O VAL A 125 75.288 90.108 76.284 1.00 73.90 O -ATOM 1840 CB VAL A 125 76.108 87.948 78.081 1.00 59.78 C -ATOM 1841 CG1 VAL A 125 77.087 88.941 78.697 1.00 60.77 C -ATOM 1842 CG2 VAL A 125 76.123 86.706 78.977 1.00 55.95 C -ATOM 1843 H VAL A 125 74.299 86.809 76.799 1.00 79.90 H -ATOM 1844 HA VAL A 125 74.318 88.667 79.009 1.00 81.65 H -ATOM 1845 HB VAL A 125 76.462 87.674 77.087 1.00 71.74 H -ATOM 1846 HG11 VAL A 125 78.063 88.474 78.817 1.00 72.93 H -ATOM 1847 HG12 VAL A 125 77.209 89.809 78.051 1.00 72.93 H -ATOM 1848 HG13 VAL A 125 76.721 89.263 79.671 1.00 72.93 H -ATOM 1849 HG21 VAL A 125 77.123 86.276 78.969 1.00 67.14 H -ATOM 1850 HG22 VAL A 125 75.865 86.972 80.000 1.00 67.14 H -ATOM 1851 HG23 VAL A 125 75.427 85.946 78.626 1.00 67.14 H -ATOM 1852 N SER A 126 73.699 90.724 77.738 1.00 74.47 N -ATOM 1853 CA SER A 126 73.177 91.913 77.053 1.00 72.55 C -ATOM 1854 C SER A 126 74.010 93.194 77.266 1.00 67.92 C -ATOM 1855 O SER A 126 73.468 94.303 77.277 1.00 67.75 O -ATOM 1856 CB SER A 126 71.711 92.071 77.469 1.00 71.85 C -ATOM 1857 OG SER A 126 71.083 93.104 76.742 1.00 75.01 O -ATOM 1858 H SER A 126 73.210 90.453 78.578 1.00 89.36 H -ATOM 1859 HA SER A 126 73.189 91.713 75.982 1.00 87.06 H -ATOM 1860 HB2 SER A 126 71.191 91.134 77.272 1.00 86.22 H -ATOM 1861 HB3 SER A 126 71.647 92.278 78.536 1.00 86.22 H -ATOM 1862 HG SER A 126 71.604 93.897 76.877 1.00 90.01 H -ATOM 1863 N SER A 127 75.321 93.052 77.462 1.00 63.44 N -ATOM 1864 CA SER A 127 76.253 94.149 77.765 1.00 62.50 C -ATOM 1865 C SER A 127 77.010 94.712 76.558 1.00 61.73 C -ATOM 1866 O SER A 127 77.641 95.762 76.678 1.00 63.26 O -ATOM 1867 CB SER A 127 77.267 93.656 78.799 1.00 65.12 C -ATOM 1868 OG SER A 127 77.984 92.532 78.312 1.00 63.07 O -ATOM 1869 H SER A 127 75.700 92.117 77.466 1.00 76.12 H -ATOM 1870 HA SER A 127 75.702 94.973 78.217 1.00 75.00 H -ATOM 1871 HB2 SER A 127 77.960 94.458 79.050 1.00 78.15 H -ATOM 1872 HB3 SER A 127 76.735 93.372 79.705 1.00 78.15 H -ATOM 1873 HG SER A 127 78.784 92.841 77.883 1.00 75.69 H -ATOM 1874 N ALA A 128 77.016 94.025 75.414 1.00 55.91 N -ATOM 1875 CA ALA A 128 77.889 94.362 74.288 1.00 48.29 C -ATOM 1876 C ALA A 128 77.637 95.774 73.737 1.00 42.11 C -ATOM 1877 O ALA A 128 76.497 96.203 73.557 1.00 44.70 O -ATOM 1878 CB ALA A 128 77.729 93.302 73.195 1.00 55.91 C -ATOM 1879 H ALA A 128 76.475 93.176 75.360 1.00 67.10 H -ATOM 1880 HA ALA A 128 78.920 94.320 74.638 1.00 57.95 H -ATOM 1881 HB1 ALA A 128 78.372 93.543 72.350 1.00 67.09 H -ATOM 1882 HB2 ALA A 128 78.010 92.323 73.581 1.00 67.09 H -ATOM 1883 HB3 ALA A 128 76.695 93.269 72.854 1.00 67.09 H -ATOM 1884 N SER A 129 78.714 96.491 73.434 1.00 38.24 N -ATOM 1885 CA SER A 129 78.661 97.788 72.764 1.00 43.97 C -ATOM 1886 C SER A 129 78.146 97.658 71.324 1.00 45.94 C -ATOM 1887 O SER A 129 78.508 96.727 70.606 1.00 50.59 O -ATOM 1888 CB SER A 129 80.057 98.425 72.794 1.00 51.34 C -ATOM 1889 OG SER A 129 81.051 97.555 72.271 1.00 49.55 O -ATOM 1890 H SER A 129 79.625 96.086 73.587 1.00 45.89 H -ATOM 1891 HA SER A 129 77.985 98.441 73.313 1.00 52.76 H -ATOM 1892 HB2 SER A 129 80.044 99.353 72.226 1.00 61.61 H -ATOM 1893 HB3 SER A 129 80.311 98.661 73.827 1.00 61.61 H -ATOM 1894 HG SER A 129 80.847 97.385 71.354 1.00 59.46 H -ATOM 1895 N THR A 130 77.332 98.606 70.861 1.00 47.87 N -ATOM 1896 CA THR A 130 76.933 98.706 69.443 1.00 52.03 C -ATOM 1897 C THR A 130 78.166 98.901 68.550 1.00 54.07 C -ATOM 1898 O THR A 130 79.094 99.624 68.921 1.00 53.23 O -ATOM 1899 CB THR A 130 75.922 99.854 69.250 1.00 58.05 C -ATOM 1900 OG1 THR A 130 74.735 99.535 69.937 1.00 56.59 O -ATOM 1901 CG2 THR A 130 75.504 100.124 67.805 1.00 61.36 C -ATOM 1902 H THR A 130 77.028 99.334 71.491 1.00 57.45 H -ATOM 1903 HA THR A 130 76.443 97.779 69.147 1.00 62.44 H -ATOM 1904 HB THR A 130 76.339 100.768 69.667 1.00 69.66 H -ATOM 1905 HG1 THR A 130 74.191 100.313 69.943 1.00 67.90 H -ATOM 1906 HG21 THR A 130 74.723 100.882 67.782 1.00 73.64 H -ATOM 1907 HG22 THR A 130 76.352 100.496 67.233 1.00 73.64 H -ATOM 1908 HG23 THR A 130 75.128 99.209 67.352 1.00 73.64 H -ATOM 1909 N LYS A 131 78.183 98.276 67.366 1.00 56.15 N -ATOM 1910 CA LYS A 131 79.263 98.367 66.370 1.00 57.72 C -ATOM 1911 C LYS A 131 78.722 98.225 64.942 1.00 52.33 C -ATOM 1912 O LYS A 131 78.103 97.216 64.610 1.00 52.43 O -ATOM 1913 CB LYS A 131 80.325 97.298 66.688 1.00 56.79 C -ATOM 1914 CG LYS A 131 81.511 97.354 65.716 1.00 53.08 C -ATOM 1915 CD LYS A 131 82.502 96.210 65.961 1.00 56.61 C -ATOM 1916 CE LYS A 131 83.652 96.204 64.943 1.00 64.70 C -ATOM 1917 NZ LYS A 131 83.201 95.962 63.544 1.00 61.73 N -ATOM 1918 H LYS A 131 77.386 97.702 67.130 1.00 67.38 H -ATOM 1919 HA LYS A 131 79.737 99.345 66.449 1.00 69.27 H -ATOM 1920 HB2 LYS A 131 80.695 97.449 67.701 1.00 68.15 H -ATOM 1921 HB3 LYS A 131 79.862 96.313 66.639 1.00 68.15 H -ATOM 1922 HG2 LYS A 131 81.135 97.267 64.698 1.00 63.70 H -ATOM 1923 HG3 LYS A 131 82.022 98.309 65.825 1.00 63.70 H -ATOM 1924 HD2 LYS A 131 82.923 96.321 66.959 1.00 67.93 H -ATOM 1925 HD3 LYS A 131 81.981 95.256 65.919 1.00 67.93 H -ATOM 1926 HE2 LYS A 131 84.177 97.155 65.008 1.00 77.65 H -ATOM 1927 HE3 LYS A 131 84.355 95.426 65.238 1.00 77.65 H -ATOM 1928 HZ1 LYS A 131 83.998 95.887 62.929 1.00 74.07 H -ATOM 1929 HZ2 LYS A 131 82.668 95.109 63.461 1.00 74.07 H -ATOM 1930 HZ3 LYS A 131 82.635 96.725 63.205 1.00 74.07 H -ATOM 1931 N GLY A 132 78.996 99.209 64.090 1.00 49.17 N -ATOM 1932 CA GLY A 132 78.624 99.185 62.674 1.00 47.97 C -ATOM 1933 C GLY A 132 79.450 98.201 61.824 1.00 46.55 C -ATOM 1934 O GLY A 132 80.537 97.777 62.225 1.00 48.78 O -ATOM 1935 H GLY A 132 79.522 100.001 64.429 1.00 59.00 H -ATOM 1936 HA2 GLY A 132 77.570 98.919 62.608 1.00 57.57 H -ATOM 1937 HA3 GLY A 132 78.740 100.181 62.249 1.00 57.57 H -ATOM 1938 N PRO A 133 78.937 97.809 60.650 1.00 47.03 N -ATOM 1939 CA PRO A 133 79.510 96.744 59.830 1.00 51.49 C -ATOM 1940 C PRO A 133 80.736 97.124 58.993 1.00 51.10 C -ATOM 1941 O PRO A 133 81.046 98.295 58.782 1.00 51.97 O -ATOM 1942 CB PRO A 133 78.354 96.310 58.922 1.00 55.39 C -ATOM 1943 CG PRO A 133 77.545 97.590 58.732 1.00 54.40 C -ATOM 1944 CD PRO A 133 77.661 98.252 60.101 1.00 48.45 C -ATOM 1945 HA PRO A 133 79.810 95.910 60.463 1.00 61.79 H -ATOM 1946 HB2 PRO A 133 78.703 95.913 57.970 1.00 66.46 H -ATOM 1947 HB3 PRO A 133 77.738 95.574 59.437 1.00 66.46 H -ATOM 1948 HG2 PRO A 133 78.015 98.216 57.974 1.00 65.28 H -ATOM 1949 HG3 PRO A 133 76.509 97.381 58.471 1.00 65.28 H -ATOM 1950 HD2 PRO A 133 77.619 99.337 60.006 1.00 58.15 H -ATOM 1951 HD3 PRO A 133 76.852 97.900 60.739 1.00 58.15 H -ATOM 1952 N SER A 134 81.365 96.088 58.433 1.00 52.05 N -ATOM 1953 CA SER A 134 82.136 96.150 57.186 1.00 52.30 C -ATOM 1954 C SER A 134 81.335 95.500 56.050 1.00 51.87 C -ATOM 1955 O SER A 134 80.717 94.456 56.267 1.00 56.66 O -ATOM 1956 CB SER A 134 83.483 95.451 57.377 1.00 54.61 C -ATOM 1957 OG SER A 134 84.301 95.645 56.240 1.00 56.49 O -ATOM 1958 H SER A 134 81.078 95.166 58.724 1.00 62.46 H -ATOM 1959 HA SER A 134 82.328 97.191 56.926 1.00 62.76 H -ATOM 1960 HB2 SER A 134 83.981 95.883 58.245 1.00 65.53 H -ATOM 1961 HB3 SER A 134 83.334 94.387 57.557 1.00 65.53 H -ATOM 1962 HG SER A 134 84.104 94.985 55.574 1.00 67.78 H -ATOM 1963 N VAL A 135 81.315 96.103 54.856 1.00 49.02 N -ATOM 1964 CA VAL A 135 80.446 95.694 53.730 1.00 53.59 C -ATOM 1965 C VAL A 135 81.227 95.526 52.420 1.00 57.63 C -ATOM 1966 O VAL A 135 82.042 96.384 52.086 1.00 62.46 O -ATOM 1967 CB VAL A 135 79.284 96.692 53.555 1.00 56.13 C -ATOM 1968 CG1 VAL A 135 78.346 96.299 52.408 1.00 59.84 C -ATOM 1969 CG2 VAL A 135 78.448 96.792 54.836 1.00 55.47 C -ATOM 1970 H VAL A 135 81.877 96.931 54.732 1.00 58.82 H -ATOM 1971 HA VAL A 135 80.000 94.730 53.974 1.00 64.31 H -ATOM 1972 HB VAL A 135 79.693 97.677 53.337 1.00 67.36 H -ATOM 1973 HG11 VAL A 135 77.511 96.996 52.356 1.00 71.81 H -ATOM 1974 HG12 VAL A 135 78.865 96.340 51.453 1.00 71.81 H -ATOM 1975 HG13 VAL A 135 77.960 95.294 52.568 1.00 71.81 H -ATOM 1976 HG21 VAL A 135 77.571 97.413 54.665 1.00 66.56 H -ATOM 1977 HG22 VAL A 135 78.134 95.797 55.144 1.00 66.56 H -ATOM 1978 HG23 VAL A 135 79.032 97.245 55.633 1.00 66.56 H -ATOM 1979 N PHE A 136 80.972 94.454 51.658 1.00 60.17 N -ATOM 1980 CA PHE A 136 81.721 94.108 50.430 1.00 65.98 C -ATOM 1981 C PHE A 136 80.794 93.547 49.322 1.00 67.68 C -ATOM 1982 O PHE A 136 80.094 92.574 49.597 1.00 67.11 O -ATOM 1983 CB PHE A 136 82.796 93.046 50.753 1.00 70.28 C -ATOM 1984 CG PHE A 136 83.724 93.306 51.932 1.00 67.46 C -ATOM 1985 CD1 PHE A 136 83.290 93.021 53.241 1.00 65.81 C -ATOM 1986 CD2 PHE A 136 85.043 93.745 51.725 1.00 75.28 C -ATOM 1987 CE1 PHE A 136 84.157 93.180 54.332 1.00 59.12 C -ATOM 1988 CE2 PHE A 136 85.913 93.901 52.818 1.00 80.73 C -ATOM 1989 CZ PHE A 136 85.473 93.617 54.120 1.00 62.47 C -ATOM 1990 H PHE A 136 80.310 93.778 52.009 1.00 72.20 H -ATOM 1991 HA PHE A 136 82.236 94.994 50.060 1.00 79.17 H -ATOM 1992 HB2 PHE A 136 82.295 92.098 50.949 1.00 84.34 H -ATOM 1993 HB3 PHE A 136 83.400 92.897 49.859 1.00 84.34 H -ATOM 1994 HD1 PHE A 136 82.288 92.656 53.409 1.00 78.97 H -ATOM 1995 HD2 PHE A 136 85.399 93.948 50.726 1.00 90.34 H -ATOM 1996 HE1 PHE A 136 83.818 92.930 55.326 1.00 70.94 H -ATOM 1997 HE2 PHE A 136 86.931 94.223 52.657 1.00 96.88 H -ATOM 1998 HZ PHE A 136 86.152 93.723 54.952 1.00 74.96 H -ATOM 1999 N PRO A 137 80.770 94.083 48.085 1.00 70.80 N -ATOM 2000 CA PRO A 137 79.890 93.619 47.005 1.00 69.13 C -ATOM 2001 C PRO A 137 80.547 92.597 46.050 1.00 74.14 C -ATOM 2002 O PRO A 137 81.724 92.258 46.180 1.00 71.77 O -ATOM 2003 CB PRO A 137 79.495 94.906 46.275 1.00 73.62 C -ATOM 2004 CG PRO A 137 80.801 95.689 46.314 1.00 83.04 C -ATOM 2005 CD PRO A 137 81.365 95.352 47.698 1.00 75.09 C -ATOM 2006 HA PRO A 137 78.989 93.166 47.416 1.00 82.96 H -ATOM 2007 HB2 PRO A 137 79.151 94.741 45.255 1.00 88.35 H -ATOM 2008 HB3 PRO A 137 78.734 95.434 46.849 1.00 88.35 H -ATOM 2009 HG2 PRO A 137 81.475 95.320 45.542 1.00 99.65 H -ATOM 2010 HG3 PRO A 137 80.629 96.757 46.185 1.00 99.65 H -ATOM 2011 HD2 PRO A 137 82.452 95.286 47.660 1.00 90.10 H -ATOM 2012 HD3 PRO A 137 81.056 96.119 48.407 1.00 90.10 H -ATOM 2013 N LEU A 138 79.774 92.149 45.053 1.00 79.42 N -ATOM 2014 CA LEU A 138 80.159 91.242 43.961 1.00 85.21 C -ATOM 2015 C LEU A 138 80.078 91.933 42.591 1.00 83.96 C -ATOM 2016 O LEU A 138 79.182 92.739 42.363 1.00 82.64 O -ATOM 2017 CB LEU A 138 79.209 90.027 43.937 1.00 82.80 C -ATOM 2018 CG LEU A 138 79.127 89.182 45.219 1.00 86.57 C -ATOM 2019 CD1 LEU A 138 78.095 88.070 45.035 1.00 80.73 C -ATOM 2020 CD2 LEU A 138 80.460 88.511 45.522 1.00 89.75 C -ATOM 2021 H LEU A 138 78.808 92.444 45.072 1.00 95.31 H -ATOM 2022 HA LEU A 138 81.182 90.898 44.110 1.00102.25 H -ATOM 2023 HB2 LEU A 138 78.208 90.391 43.707 1.00 99.36 H -ATOM 2024 HB3 LEU A 138 79.512 89.374 43.120 1.00 99.36 H -ATOM 2025 HG LEU A 138 78.834 89.799 46.067 1.00103.89 H -ATOM 2026 HD11 LEU A 138 78.060 87.454 45.931 1.00 96.88 H -ATOM 2027 HD12 LEU A 138 77.103 88.484 44.869 1.00 96.88 H -ATOM 2028 HD13 LEU A 138 78.364 87.441 44.189 1.00 96.88 H -ATOM 2029 HD21 LEU A 138 80.360 87.881 46.404 1.00107.70 H -ATOM 2030 HD22 LEU A 138 80.753 87.894 44.674 1.00107.70 H -ATOM 2031 HD23 LEU A 138 81.221 89.264 45.722 1.00107.70 H -ATOM 2032 N ALA A 139 80.943 91.552 41.652 1.00 86.06 N -ATOM 2033 CA ALA A 139 80.918 92.022 40.265 1.00 81.15 C -ATOM 2034 C ALA A 139 81.142 90.834 39.305 1.00 85.98 C -ATOM 2035 O ALA A 139 82.285 90.416 39.127 1.00 94.48 O -ATOM 2036 CB ALA A 139 81.975 93.121 40.107 1.00 77.99 C -ATOM 2037 H ALA A 139 81.660 90.888 41.901 1.00103.28 H -ATOM 2038 HA ALA A 139 79.958 92.487 40.042 1.00 97.38 H -ATOM 2039 HB1 ALA A 139 81.974 93.487 39.083 1.00 93.58 H -ATOM 2040 HB2 ALA A 139 81.747 93.947 40.777 1.00 93.58 H -ATOM 2041 HB3 ALA A 139 82.962 92.735 40.349 1.00 93.58 H -ATOM 2042 N PRO A 140 80.081 90.235 38.725 1.00 84.15 N -ATOM 2043 CA PRO A 140 80.127 88.888 38.147 1.00 86.21 C -ATOM 2044 C PRO A 140 81.255 88.608 37.143 1.00 91.48 C -ATOM 2045 O PRO A 140 81.547 89.423 36.267 1.00 89.06 O -ATOM 2046 CB PRO A 140 78.750 88.659 37.520 1.00 83.44 C -ATOM 2047 CG PRO A 140 77.847 89.439 38.465 1.00 84.19 C -ATOM 2048 CD PRO A 140 78.692 90.656 38.833 1.00 83.38 C -ATOM 2049 HA PRO A 140 80.234 88.191 38.977 1.00103.45 H -ATOM 2050 HB2 PRO A 140 78.707 89.096 36.524 1.00100.13 H -ATOM 2051 HB3 PRO A 140 78.488 87.602 37.493 1.00100.13 H -ATOM 2052 HG2 PRO A 140 76.912 89.729 37.987 1.00101.03 H -ATOM 2053 HG3 PRO A 140 77.657 88.845 39.358 1.00101.03 H -ATOM 2054 HD2 PRO A 140 78.503 91.462 38.126 1.00100.06 H -ATOM 2055 HD3 PRO A 140 78.444 90.973 39.845 1.00100.06 H -ATOM 2056 N SER A 141 81.854 87.417 37.241 1.00100.05 N -ATOM 2057 CA SER A 141 82.843 86.909 36.278 1.00107.66 C -ATOM 2058 C SER A 141 82.175 86.426 34.985 1.00102.65 C -ATOM 2059 O SER A 141 81.002 86.034 34.974 1.00100.19 O -ATOM 2060 CB SER A 141 83.649 85.767 36.905 1.00100.83 C -ATOM 2061 OG SER A 141 82.831 84.619 37.049 1.00 97.84 O -ATOM 2062 H SER A 141 81.536 86.779 37.955 1.00120.06 H -ATOM 2063 HA SER A 141 83.537 87.711 36.028 1.00129.19 H -ATOM 2064 HB2 SER A 141 84.498 85.525 36.267 1.00120.99 H -ATOM 2065 HB3 SER A 141 84.025 86.083 37.878 1.00120.99 H -ATOM 2066 HG SER A 141 83.064 84.178 37.868 1.00117.41 H -ATOM 2067 N SER A 142 82.923 86.370 33.884 1.00101.59 N -ATOM 2068 CA SER A 142 82.378 85.974 32.577 1.00 97.37 C -ATOM 2069 C SER A 142 81.853 84.534 32.529 1.00 95.87 C -ATOM 2070 O SER A 142 81.011 84.216 31.690 1.00 94.02 O -ATOM 2071 CB SER A 142 83.410 86.213 31.481 1.00110.57 C -ATOM 2072 OG SER A 142 83.717 87.595 31.445 1.00114.15 O -ATOM 2073 H SER A 142 83.864 86.733 33.912 1.00121.91 H -ATOM 2074 HA SER A 142 81.534 86.628 32.361 1.00116.85 H -ATOM 2075 HB2 SER A 142 84.311 85.634 31.684 1.00132.68 H -ATOM 2076 HB3 SER A 142 82.997 85.908 30.520 1.00132.68 H -ATOM 2077 HG SER A 142 84.339 87.746 30.731 1.00136.98 H -ATOM 2078 N LYS A 143 82.231 83.689 33.493 1.00 98.10 N -ATOM 2079 CA LYS A 143 81.689 82.332 33.684 1.00103.25 C -ATOM 2080 C LYS A 143 80.167 82.322 33.907 1.00 93.52 C -ATOM 2081 O LYS A 143 79.488 81.386 33.495 1.00 94.43 O -ATOM 2082 CB LYS A 143 82.436 81.639 34.844 1.00101.27 C -ATOM 2083 CG LYS A 143 83.957 81.636 34.612 1.00111.37 C -ATOM 2084 CD LYS A 143 84.740 80.785 35.619 1.00114.04 C -ATOM 2085 CE LYS A 143 86.233 80.906 35.279 1.00126.27 C -ATOM 2086 NZ LYS A 143 87.083 79.991 36.079 1.00124.37 N -ATOM 2087 H LYS A 143 82.908 84.026 34.161 1.00117.73 H -ATOM 2088 HA LYS A 143 81.869 81.756 32.777 1.00123.91 H -ATOM 2089 HB2 LYS A 143 82.215 82.146 35.781 1.00121.52 H -ATOM 2090 HB3 LYS A 143 82.088 80.611 34.921 1.00121.52 H -ATOM 2091 HG2 LYS A 143 84.150 81.255 33.613 1.00133.65 H -ATOM 2092 HG3 LYS A 143 84.331 82.656 34.667 1.00133.65 H -ATOM 2093 HD2 LYS A 143 84.558 81.147 36.629 1.00136.85 H -ATOM 2094 HD3 LYS A 143 84.419 79.748 35.539 1.00136.85 H -ATOM 2095 HE2 LYS A 143 86.362 80.685 34.221 1.00151.53 H -ATOM 2096 HE3 LYS A 143 86.541 81.937 35.437 1.00151.53 H -ATOM 2097 HZ1 LYS A 143 88.061 80.162 35.900 1.00149.24 H -ATOM 2098 HZ2 LYS A 143 86.942 80.123 37.069 1.00149.24 H -ATOM 2099 HZ3 LYS A 143 86.894 79.026 35.853 1.00149.24 H -ATOM 2100 N SER A 144 79.614 83.403 34.462 1.00 95.38 N -ATOM 2101 CA SER A 144 78.163 83.623 34.603 1.00 92.97 C -ATOM 2102 C SER A 144 77.412 83.886 33.286 1.00 90.19 C -ATOM 2103 O SER A 144 76.184 83.836 33.268 1.00 89.12 O -ATOM 2104 CB SER A 144 77.909 84.822 35.526 1.00 92.55 C -ATOM 2105 OG SER A 144 78.305 86.041 34.916 1.00 99.79 O -ATOM 2106 H SER A 144 80.243 84.114 34.803 1.00114.45 H -ATOM 2107 HA SER A 144 77.721 82.742 35.066 1.00111.57 H -ATOM 2108 HB2 SER A 144 76.844 84.873 35.748 1.00111.07 H -ATOM 2109 HB3 SER A 144 78.447 84.685 36.464 1.00111.07 H -ATOM 2110 HG SER A 144 79.258 86.130 34.985 1.00119.75 H -ATOM 2111 N THR A 145 78.101 84.229 32.191 1.00 87.60 N -ATOM 2112 CA THR A 145 77.448 84.850 31.020 1.00 83.62 C -ATOM 2113 C THR A 145 76.775 83.874 30.055 1.00 92.92 C -ATOM 2114 O THR A 145 75.964 84.306 29.238 1.00 87.56 O -ATOM 2115 CB THR A 145 78.391 85.764 30.236 1.00100.15 C -ATOM 2116 OG1 THR A 145 79.463 85.036 29.686 1.00 98.90 O -ATOM 2117 CG2 THR A 145 78.914 86.911 31.100 1.00 99.98 C -ATOM 2118 H THR A 145 79.110 84.214 32.230 1.00105.12 H -ATOM 2119 HA THR A 145 76.649 85.492 31.389 1.00100.35 H -ATOM 2120 HB THR A 145 77.836 86.207 29.410 1.00120.18 H -ATOM 2121 HG1 THR A 145 80.032 84.745 30.402 1.00118.68 H -ATOM 2122 HG21 THR A 145 79.632 87.500 30.534 1.00119.98 H -ATOM 2123 HG22 THR A 145 78.084 87.555 31.378 1.00119.98 H -ATOM 2124 HG23 THR A 145 79.381 86.538 32.009 1.00119.98 H -ATOM 2125 N SER A 146 77.013 82.566 30.156 1.00 88.25 N -ATOM 2126 CA SER A 146 76.095 81.602 29.539 1.00 81.96 C -ATOM 2127 C SER A 146 74.755 81.666 30.276 1.00 86.31 C -ATOM 2128 O SER A 146 74.707 81.552 31.501 1.00 90.44 O -ATOM 2129 CB SER A 146 76.678 80.191 29.555 1.00 82.64 C -ATOM 2130 OG SER A 146 75.804 79.310 28.877 1.00 80.01 O -ATOM 2131 H SER A 146 77.677 82.238 30.842 1.00105.90 H -ATOM 2132 HA SER A 146 75.939 81.876 28.497 1.00 98.35 H -ATOM 2133 HB2 SER A 146 77.644 80.195 29.053 1.00 99.16 H -ATOM 2134 HB3 SER A 146 76.814 79.860 30.582 1.00 99.16 H -ATOM 2135 HG SER A 146 76.209 78.440 28.867 1.00 96.01 H -ATOM 2136 N GLY A 147 73.666 81.939 29.558 1.00 83.67 N -ATOM 2137 CA GLY A 147 72.378 82.304 30.165 1.00 89.95 C -ATOM 2138 C GLY A 147 72.301 83.750 30.683 1.00 97.97 C -ATOM 2139 O GLY A 147 71.343 84.099 31.373 1.00 95.27 O -ATOM 2140 H GLY A 147 73.754 81.990 28.554 1.00100.41 H -ATOM 2141 HA2 GLY A 147 71.595 82.181 29.417 1.00107.94 H -ATOM 2142 HA3 GLY A 147 72.158 81.633 30.994 1.00107.94 H -ATOM 2143 N GLY A 148 73.294 84.594 30.377 1.00 96.82 N -ATOM 2144 CA GLY A 148 73.225 86.060 30.456 1.00 99.02 C -ATOM 2145 C GLY A 148 72.766 86.669 31.785 1.00 92.63 C -ATOM 2146 O GLY A 148 72.023 87.647 31.772 1.00 92.25 O -ATOM 2147 H GLY A 148 74.061 84.220 29.840 1.00116.18 H -ATOM 2148 HA2 GLY A 148 74.221 86.448 30.245 1.00118.83 H -ATOM 2149 HA3 GLY A 148 72.560 86.422 29.674 1.00118.83 H -ATOM 2150 N THR A 149 73.139 86.095 32.932 1.00 93.51 N -ATOM 2151 CA THR A 149 72.549 86.461 34.235 1.00 94.99 C -ATOM 2152 C THR A 149 73.535 87.183 35.154 1.00 90.13 C -ATOM 2153 O THR A 149 74.459 86.574 35.689 1.00 87.48 O -ATOM 2154 CB THR A 149 71.993 85.203 34.915 1.00 98.30 C -ATOM 2155 OG1 THR A 149 70.934 84.679 34.143 1.00104.14 O -ATOM 2156 CG2 THR A 149 71.424 85.470 36.311 1.00100.16 C -ATOM 2157 H THR A 149 73.776 85.313 32.895 1.00112.21 H -ATOM 2158 HA THR A 149 71.699 87.127 34.085 1.00113.98 H -ATOM 2159 HB THR A 149 72.777 84.450 34.992 1.00117.96 H -ATOM 2160 HG1 THR A 149 71.245 84.539 33.247 1.00124.97 H -ATOM 2161 HG21 THR A 149 70.900 84.584 36.664 1.00120.19 H -ATOM 2162 HG22 THR A 149 72.230 85.683 37.012 1.00120.19 H -ATOM 2163 HG23 THR A 149 70.732 86.310 36.284 1.00120.19 H -ATOM 2164 N ALA A 150 73.286 88.467 35.423 1.00 90.82 N -ATOM 2165 CA ALA A 150 73.956 89.221 36.476 1.00 89.85 C -ATOM 2166 C ALA A 150 73.221 89.015 37.802 1.00 80.67 C -ATOM 2167 O ALA A 150 72.461 89.867 38.256 1.00 78.13 O -ATOM 2168 CB ALA A 150 74.079 90.696 36.077 1.00 97.94 C -ATOM 2169 H ALA A 150 72.482 88.906 35.001 1.00108.98 H -ATOM 2170 HA ALA A 150 74.970 88.842 36.605 1.00107.82 H -ATOM 2171 HB1 ALA A 150 74.443 91.276 36.923 1.00117.53 H -ATOM 2172 HB2 ALA A 150 74.791 90.796 35.261 1.00117.53 H -ATOM 2173 HB3 ALA A 150 73.114 91.089 35.766 1.00117.53 H -ATOM 2174 N ALA A 151 73.452 87.859 38.421 1.00 86.14 N -ATOM 2175 CA ALA A 151 73.195 87.661 39.840 1.00 81.02 C -ATOM 2176 C ALA A 151 74.410 88.160 40.639 1.00 79.26 C -ATOM 2177 O ALA A 151 75.511 87.622 40.521 1.00 82.53 O -ATOM 2178 CB ALA A 151 72.896 86.181 40.095 1.00 79.61 C -ATOM 2179 H ALA A 151 74.043 87.184 37.958 1.00103.37 H -ATOM 2180 HA ALA A 151 72.319 88.237 40.137 1.00 97.23 H -ATOM 2181 HB1 ALA A 151 72.681 86.030 41.152 1.00 95.53 H -ATOM 2182 HB2 ALA A 151 72.033 85.869 39.509 1.00 95.53 H -ATOM 2183 HB3 ALA A 151 73.754 85.569 39.818 1.00 95.53 H -ATOM 2184 N LEU A 152 74.211 89.206 41.433 1.00 74.68 N -ATOM 2185 CA LEU A 152 75.254 89.870 42.217 1.00 74.66 C -ATOM 2186 C LEU A 152 74.709 90.265 43.588 1.00 75.80 C -ATOM 2187 O LEU A 152 73.503 90.251 43.810 1.00 67.04 O -ATOM 2188 CB LEU A 152 75.876 91.046 41.435 1.00 83.01 C -ATOM 2189 CG LEU A 152 75.127 92.396 41.477 1.00 85.48 C -ATOM 2190 CD1 LEU A 152 75.943 93.456 40.736 1.00 82.13 C -ATOM 2191 CD2 LEU A 152 73.739 92.328 40.841 1.00 86.84 C -ATOM 2192 H LEU A 152 73.274 89.572 41.510 1.00 89.62 H -ATOM 2193 HA LEU A 152 76.048 89.147 42.399 1.00 89.60 H -ATOM 2194 HB2 LEU A 152 76.871 91.218 41.844 1.00 99.61 H -ATOM 2195 HB3 LEU A 152 76.005 90.749 40.394 1.00 99.61 H -ATOM 2196 HG LEU A 152 75.020 92.720 42.510 1.00102.57 H -ATOM 2197 HD11 LEU A 152 75.445 94.420 40.810 1.00 98.55 H -ATOM 2198 HD12 LEU A 152 76.929 93.543 41.186 1.00 98.55 H -ATOM 2199 HD13 LEU A 152 76.049 93.188 39.688 1.00 98.55 H -ATOM 2200 HD21 LEU A 152 73.295 93.321 40.813 1.00104.21 H -ATOM 2201 HD22 LEU A 152 73.805 91.932 39.830 1.00104.21 H -ATOM 2202 HD23 LEU A 152 73.092 91.687 41.436 1.00104.21 H -ATOM 2203 N GLY A 153 75.592 90.564 44.529 1.00 73.96 N -ATOM 2204 CA GLY A 153 75.239 90.615 45.940 1.00 68.52 C -ATOM 2205 C GLY A 153 76.289 91.299 46.795 1.00 68.56 C -ATOM 2206 O GLY A 153 77.219 91.902 46.265 1.00 68.84 O -ATOM 2207 H GLY A 153 76.566 90.669 44.287 1.00 88.75 H -ATOM 2208 HA2 GLY A 153 74.293 91.137 46.077 1.00 82.23 H -ATOM 2209 HA3 GLY A 153 75.135 89.588 46.288 1.00 82.23 H -ATOM 2210 N CYS A 154 76.147 91.210 48.115 1.00 59.29 N -ATOM 2211 CA CYS A 154 77.132 91.727 49.059 1.00 57.34 C -ATOM 2212 C CYS A 154 77.139 90.982 50.400 1.00 49.28 C -ATOM 2213 O CYS A 154 76.161 90.333 50.764 1.00 48.47 O -ATOM 2214 CB CYS A 154 76.918 93.234 49.258 1.00 66.79 C -ATOM 2215 SG CYS A 154 75.528 93.525 50.379 1.00 79.72 S -ATOM 2216 H CYS A 154 75.358 90.697 48.480 1.00 71.15 H -ATOM 2217 HA CYS A 154 78.115 91.570 48.616 1.00 68.80 H -ATOM 2218 HB2 CYS A 154 77.811 93.672 49.702 1.00 80.15 H -ATOM 2219 HB3 CYS A 154 76.742 93.722 48.300 1.00 80.15 H -ATOM 2220 HG CYS A 154 75.707 94.835 50.519 1.00 95.66 H -ATOM 2221 N LEU A 155 78.248 91.110 51.128 1.00 53.87 N -ATOM 2222 CA LEU A 155 78.526 90.540 52.444 1.00 53.22 C -ATOM 2223 C LEU A 155 78.621 91.626 53.521 1.00 54.67 C -ATOM 2224 O LEU A 155 79.337 92.605 53.331 1.00 55.78 O -ATOM 2225 CB LEU A 155 79.851 89.766 52.348 1.00 58.65 C -ATOM 2226 CG LEU A 155 80.264 89.069 53.656 1.00 62.13 C -ATOM 2227 CD1 LEU A 155 79.399 87.842 53.930 1.00 61.67 C -ATOM 2228 CD2 LEU A 155 81.715 88.620 53.567 1.00 64.52 C -ATOM 2229 H LEU A 155 78.988 91.663 50.721 1.00 64.64 H -ATOM 2230 HA LEU A 155 77.727 89.851 52.713 1.00 63.87 H -ATOM 2231 HB2 LEU A 155 79.779 89.020 51.557 1.00 70.38 H -ATOM 2232 HB3 LEU A 155 80.634 90.469 52.066 1.00 70.38 H -ATOM 2233 HG LEU A 155 80.185 89.759 54.496 1.00 74.56 H -ATOM 2234 HD11 LEU A 155 79.737 87.350 54.840 1.00 74.00 H -ATOM 2235 HD12 LEU A 155 78.360 88.137 54.068 1.00 74.00 H -ATOM 2236 HD13 LEU A 155 79.477 87.148 53.094 1.00 74.00 H -ATOM 2237 HD21 LEU A 155 82.014 88.140 54.495 1.00 77.43 H -ATOM 2238 HD22 LEU A 155 81.833 87.920 52.743 1.00 77.43 H -ATOM 2239 HD23 LEU A 155 82.357 89.481 53.395 1.00 77.43 H -ATOM 2240 N VAL A 156 77.956 91.424 54.658 1.00 46.47 N -ATOM 2241 CA VAL A 156 77.970 92.306 55.830 1.00 43.53 C -ATOM 2242 C VAL A 156 78.449 91.508 57.042 1.00 43.54 C -ATOM 2243 O VAL A 156 77.750 90.601 57.493 1.00 47.09 O -ATOM 2244 CB VAL A 156 76.553 92.850 56.075 1.00 48.02 C -ATOM 2245 CG1 VAL A 156 76.536 93.881 57.203 1.00 51.87 C -ATOM 2246 CG2 VAL A 156 75.942 93.490 54.819 1.00 53.56 C -ATOM 2247 H VAL A 156 77.383 90.596 54.734 1.00 55.77 H -ATOM 2248 HA VAL A 156 78.644 93.145 55.661 1.00 52.24 H -ATOM 2249 HB VAL A 156 75.905 92.026 56.371 1.00 57.62 H -ATOM 2250 HG11 VAL A 156 75.509 94.165 57.422 1.00 62.24 H -ATOM 2251 HG12 VAL A 156 76.977 93.469 58.109 1.00 62.24 H -ATOM 2252 HG13 VAL A 156 77.087 94.767 56.895 1.00 62.24 H -ATOM 2253 HG21 VAL A 156 75.003 93.976 55.069 1.00 64.27 H -ATOM 2254 HG22 VAL A 156 76.623 94.227 54.401 1.00 64.27 H -ATOM 2255 HG23 VAL A 156 75.741 92.732 54.066 1.00 64.27 H -ATOM 2256 N LYS A 157 79.621 91.829 57.596 1.00 49.30 N -ATOM 2257 CA LYS A 157 80.281 90.994 58.626 1.00 52.67 C -ATOM 2258 C LYS A 157 80.632 91.734 59.919 1.00 61.04 C -ATOM 2259 O LYS A 157 80.965 92.916 59.902 1.00 58.85 O -ATOM 2260 CB LYS A 157 81.506 90.271 58.022 1.00 58.80 C -ATOM 2261 CG LYS A 157 82.739 91.178 57.848 1.00 66.90 C -ATOM 2262 CD LYS A 157 83.892 90.527 57.064 1.00 73.65 C -ATOM 2263 CE LYS A 157 84.528 89.282 57.704 1.00 73.16 C -ATOM 2264 NZ LYS A 157 85.366 89.591 58.895 1.00 77.67 N -ATOM 2265 H LYS A 157 80.128 92.614 57.214 1.00 59.16 H -ATOM 2266 HA LYS A 157 79.585 90.209 58.920 1.00 63.20 H -ATOM 2267 HB2 LYS A 157 81.776 89.444 58.675 1.00 70.56 H -ATOM 2268 HB3 LYS A 157 81.227 89.856 57.056 1.00 70.56 H -ATOM 2269 HG2 LYS A 157 82.432 92.071 57.306 1.00 80.27 H -ATOM 2270 HG3 LYS A 157 83.109 91.485 58.825 1.00 80.27 H -ATOM 2271 HD2 LYS A 157 83.513 90.244 56.083 1.00 88.38 H -ATOM 2272 HD3 LYS A 157 84.670 91.271 56.902 1.00 88.38 H -ATOM 2273 HE2 LYS A 157 83.750 88.563 57.957 1.00 87.79 H -ATOM 2274 HE3 LYS A 157 85.157 88.818 56.945 1.00 87.79 H -ATOM 2275 HZ1 LYS A 157 85.943 88.800 59.137 1.00 93.21 H -ATOM 2276 HZ2 LYS A 157 85.987 90.367 58.725 1.00 93.21 H -ATOM 2277 HZ3 LYS A 157 84.815 89.782 59.718 1.00 93.21 H -ATOM 2278 N ASP A 158 80.620 90.999 61.030 1.00 56.29 N -ATOM 2279 CA ASP A 158 81.172 91.415 62.322 1.00 55.34 C -ATOM 2280 C ASP A 158 80.636 92.766 62.820 1.00 52.61 C -ATOM 2281 O ASP A 158 81.376 93.737 62.990 1.00 57.33 O -ATOM 2282 CB ASP A 158 82.705 91.312 62.298 1.00 62.30 C -ATOM 2283 CG ASP A 158 83.198 89.865 62.159 1.00 74.83 C -ATOM 2284 OD1 ASP A 158 82.670 88.976 62.864 1.00 72.22 O -ATOM 2285 OD2 ASP A 158 84.131 89.628 61.361 1.00 77.72 O -ATOM 2286 H ASP A 158 80.269 90.055 60.965 1.00 67.54 H -ATOM 2287 HA ASP A 158 80.822 90.692 63.058 1.00 66.41 H -ATOM 2288 HB2 ASP A 158 83.094 91.921 61.482 1.00 74.76 H -ATOM 2289 HB3 ASP A 158 83.105 91.717 63.226 1.00 74.76 H -ATOM 2290 N TYR A 159 79.331 92.804 63.080 1.00 50.20 N -ATOM 2291 CA TYR A 159 78.601 93.975 63.569 1.00 54.58 C -ATOM 2292 C TYR A 159 77.667 93.602 64.719 1.00 53.12 C -ATOM 2293 O TYR A 159 77.363 92.425 64.926 1.00 54.95 O -ATOM 2294 CB TYR A 159 77.835 94.610 62.405 1.00 55.58 C -ATOM 2295 CG TYR A 159 76.667 93.804 61.883 1.00 50.74 C -ATOM 2296 CD1 TYR A 159 76.876 92.806 60.915 1.00 54.54 C -ATOM 2297 CD2 TYR A 159 75.368 94.079 62.344 1.00 49.19 C -ATOM 2298 CE1 TYR A 159 75.789 92.069 60.421 1.00 53.11 C -ATOM 2299 CE2 TYR A 159 74.276 93.347 61.851 1.00 49.65 C -ATOM 2300 CZ TYR A 159 74.489 92.335 60.896 1.00 51.14 C -ATOM 2301 OH TYR A 159 73.455 91.591 60.448 1.00 53.38 O -ATOM 2302 H TYR A 159 78.785 91.971 62.916 1.00 60.24 H -ATOM 2303 HA TYR A 159 79.308 94.714 63.946 1.00 65.50 H -ATOM 2304 HB2 TYR A 159 77.474 95.593 62.705 1.00 66.70 H -ATOM 2305 HB3 TYR A 159 78.535 94.759 61.584 1.00 66.70 H -ATOM 2306 HD1 TYR A 159 77.871 92.606 60.548 1.00 65.44 H -ATOM 2307 HD2 TYR A 159 75.204 94.851 63.081 1.00 59.02 H -ATOM 2308 HE1 TYR A 159 75.938 91.305 59.673 1.00 63.73 H -ATOM 2309 HE2 TYR A 159 73.277 93.548 62.208 1.00 59.58 H -ATOM 2310 HH TYR A 159 72.601 91.944 60.709 1.00 64.06 H -ATOM 2311 N PHE A 160 77.218 94.593 65.487 1.00 51.72 N -ATOM 2312 CA PHE A 160 76.245 94.388 66.559 1.00 51.04 C -ATOM 2313 C PHE A 160 75.387 95.634 66.831 1.00 46.76 C -ATOM 2314 O PHE A 160 75.896 96.751 66.746 1.00 51.30 O -ATOM 2315 CB PHE A 160 76.982 93.957 67.840 1.00 46.05 C -ATOM 2316 CG PHE A 160 76.054 93.569 68.970 1.00 42.35 C -ATOM 2317 CD1 PHE A 160 75.495 92.283 68.999 1.00 47.39 C -ATOM 2318 CD2 PHE A 160 75.699 94.501 69.958 1.00 47.60 C -ATOM 2319 CE1 PHE A 160 74.578 91.934 70.004 1.00 47.96 C -ATOM 2320 CE2 PHE A 160 74.770 94.157 70.955 1.00 51.45 C -ATOM 2321 CZ PHE A 160 74.207 92.872 70.978 1.00 45.88 C -ATOM 2322 H PHE A 160 77.484 95.541 65.266 1.00 62.07 H -ATOM 2323 HA PHE A 160 75.587 93.575 66.251 1.00 61.24 H -ATOM 2324 HB2 PHE A 160 77.618 93.101 67.616 1.00 55.26 H -ATOM 2325 HB3 PHE A 160 77.629 94.769 68.170 1.00 55.26 H -ATOM 2326 HD1 PHE A 160 75.774 91.554 68.252 1.00 56.86 H -ATOM 2327 HD2 PHE A 160 76.128 95.492 69.946 1.00 57.12 H -ATOM 2328 HE1 PHE A 160 74.157 90.940 70.027 1.00 57.55 H -ATOM 2329 HE2 PHE A 160 74.493 94.881 71.707 1.00 61.73 H -ATOM 2330 HZ PHE A 160 73.499 92.604 71.747 1.00 55.06 H -ATOM 2331 N PRO A 161 74.130 95.481 67.265 1.00 44.35 N -ATOM 2332 CA PRO A 161 73.262 94.336 67.024 1.00 43.83 C -ATOM 2333 C PRO A 161 72.681 94.394 65.598 1.00 50.89 C -ATOM 2334 O PRO A 161 73.059 95.240 64.788 1.00 52.64 O -ATOM 2335 CB PRO A 161 72.197 94.451 68.115 1.00 45.32 C -ATOM 2336 CG PRO A 161 72.056 95.951 68.336 1.00 54.99 C -ATOM 2337 CD PRO A 161 73.445 96.499 68.037 1.00 50.58 C -ATOM 2338 HA PRO A 161 73.782 93.388 67.160 1.00 52.59 H -ATOM 2339 HB2 PRO A 161 71.246 93.995 67.842 1.00 54.39 H -ATOM 2340 HB3 PRO A 161 72.570 93.991 69.030 1.00 54.39 H -ATOM 2341 HG2 PRO A 161 71.336 96.360 67.629 1.00 65.99 H -ATOM 2342 HG3 PRO A 161 71.753 96.178 69.357 1.00 65.99 H -ATOM 2343 HD2 PRO A 161 73.380 97.433 67.481 1.00 60.69 H -ATOM 2344 HD3 PRO A 161 73.978 96.664 68.973 1.00 60.69 H -ATOM 2345 N GLU A 162 71.752 93.491 65.296 1.00 53.16 N -ATOM 2346 CA GLU A 162 70.723 93.650 64.256 1.00 55.73 C -ATOM 2347 C GLU A 162 69.735 94.780 64.590 1.00 62.83 C -ATOM 2348 O GLU A 162 69.628 95.141 65.766 1.00 64.70 O -ATOM 2349 CB GLU A 162 69.929 92.333 64.199 1.00 57.36 C -ATOM 2350 CG GLU A 162 70.582 91.299 63.287 1.00 64.93 C -ATOM 2351 CD GLU A 162 70.272 91.601 61.814 1.00 68.18 C -ATOM 2352 OE1 GLU A 162 69.226 91.120 61.316 1.00 66.05 O -ATOM 2353 OE2 GLU A 162 71.054 92.358 61.200 1.00 60.05 O -ATOM 2354 H GLU A 162 71.568 92.778 65.987 1.00 63.79 H -ATOM 2355 HA GLU A 162 71.186 93.870 63.295 1.00 66.87 H -ATOM 2356 HB2 GLU A 162 69.848 91.918 65.203 1.00 68.83 H -ATOM 2357 HB3 GLU A 162 68.910 92.506 63.855 1.00 68.83 H -ATOM 2358 HG2 GLU A 162 71.658 91.284 63.460 1.00 77.91 H -ATOM 2359 HG3 GLU A 162 70.190 90.319 63.554 1.00 77.91 H -ATOM 2360 N PRO A 163 68.932 95.287 63.626 1.00 72.52 N -ATOM 2361 CA PRO A 163 68.763 94.808 62.247 1.00 65.77 C -ATOM 2362 C PRO A 163 69.334 95.733 61.154 1.00 66.85 C -ATOM 2363 O PRO A 163 69.962 96.757 61.418 1.00 71.98 O -ATOM 2364 CB PRO A 163 67.246 94.643 62.118 1.00 76.13 C -ATOM 2365 CG PRO A 163 66.732 95.878 62.850 1.00 88.60 C -ATOM 2366 CD PRO A 163 67.754 96.077 63.975 1.00 89.88 C -ATOM 2367 HA PRO A 163 69.218 93.828 62.106 1.00 78.92 H -ATOM 2368 HB2 PRO A 163 66.893 94.608 61.087 1.00 91.36 H -ATOM 2369 HB3 PRO A 163 66.929 93.747 62.651 1.00 91.36 H -ATOM 2370 HG2 PRO A 163 66.748 96.736 62.178 1.00106.31 H -ATOM 2371 HG3 PRO A 163 65.728 95.720 63.243 1.00106.31 H -ATOM 2372 HD2 PRO A 163 68.006 97.131 64.084 1.00107.86 H -ATOM 2373 HD3 PRO A 163 67.322 95.708 64.905 1.00107.86 H -ATOM 2374 N VAL A 164 69.104 95.368 59.893 1.00 63.86 N -ATOM 2375 CA VAL A 164 69.694 95.999 58.702 1.00 63.99 C -ATOM 2376 C VAL A 164 68.657 96.067 57.572 1.00 59.74 C -ATOM 2377 O VAL A 164 67.763 95.223 57.487 1.00 59.42 O -ATOM 2378 CB VAL A 164 70.955 95.214 58.262 1.00 59.61 C -ATOM 2379 CG1 VAL A 164 71.628 95.759 56.995 1.00 67.34 C -ATOM 2380 CG2 VAL A 164 72.055 95.173 59.334 1.00 58.78 C -ATOM 2381 H VAL A 164 68.550 94.540 59.740 1.00 76.63 H -ATOM 2382 HA VAL A 164 69.994 97.017 58.948 1.00 76.79 H -ATOM 2383 HB VAL A 164 70.646 94.190 58.055 1.00 71.54 H -ATOM 2384 HG11 VAL A 164 72.525 95.183 56.775 1.00 80.81 H -ATOM 2385 HG12 VAL A 164 70.968 95.664 56.136 1.00 80.81 H -ATOM 2386 HG13 VAL A 164 71.912 96.800 57.135 1.00 80.81 H -ATOM 2387 HG21 VAL A 164 72.893 94.572 58.986 1.00 70.54 H -ATOM 2388 HG22 VAL A 164 72.403 96.181 59.553 1.00 70.54 H -ATOM 2389 HG23 VAL A 164 71.684 94.720 60.252 1.00 70.54 H -ATOM 2390 N THR A 165 68.805 97.044 56.675 1.00 69.75 N -ATOM 2391 CA THR A 165 68.069 97.146 55.400 1.00 76.22 C -ATOM 2392 C THR A 165 69.043 97.295 54.232 1.00 76.85 C -ATOM 2393 O THR A 165 70.054 97.988 54.351 1.00 76.19 O -ATOM 2394 CB THR A 165 67.088 98.329 55.406 1.00 86.04 C -ATOM 2395 OG1 THR A 165 66.170 98.216 56.469 1.00 86.92 O -ATOM 2396 CG2 THR A 165 66.263 98.445 54.126 1.00 81.37 C -ATOM 2397 H THR A 165 69.549 97.709 56.833 1.00 83.70 H -ATOM 2398 HA THR A 165 67.497 96.232 55.238 1.00 91.46 H -ATOM 2399 HB THR A 165 67.652 99.251 55.541 1.00103.25 H -ATOM 2400 HG1 THR A 165 65.649 97.427 56.327 1.00104.30 H -ATOM 2401 HG21 THR A 165 65.494 99.205 54.254 1.00 97.64 H -ATOM 2402 HG22 THR A 165 66.898 98.746 53.294 1.00 97.64 H -ATOM 2403 HG23 THR A 165 65.787 97.493 53.894 1.00 97.64 H -ATOM 2404 N VAL A 166 68.741 96.659 53.098 1.00 73.76 N -ATOM 2405 CA VAL A 166 69.596 96.630 51.902 1.00 75.14 C -ATOM 2406 C VAL A 166 68.805 97.040 50.660 1.00 73.78 C -ATOM 2407 O VAL A 166 67.621 96.745 50.515 1.00 74.11 O -ATOM 2408 CB VAL A 166 70.262 95.249 51.720 1.00 75.68 C -ATOM 2409 CG1 VAL A 166 71.200 95.196 50.507 1.00 74.33 C -ATOM 2410 CG2 VAL A 166 71.075 94.855 52.958 1.00 75.89 C -ATOM 2411 H VAL A 166 67.880 96.135 53.059 1.00 88.51 H -ATOM 2412 HA VAL A 166 70.398 97.358 52.025 1.00 90.17 H -ATOM 2413 HB VAL A 166 69.483 94.501 51.577 1.00 90.81 H -ATOM 2414 HG11 VAL A 166 71.727 94.243 50.488 1.00 89.20 H -ATOM 2415 HG12 VAL A 166 70.629 95.273 49.582 1.00 89.20 H -ATOM 2416 HG13 VAL A 166 71.928 96.005 50.550 1.00 89.20 H -ATOM 2417 HG21 VAL A 166 71.586 93.911 52.785 1.00 91.06 H -ATOM 2418 HG22 VAL A 166 71.809 95.622 53.191 1.00 91.06 H -ATOM 2419 HG23 VAL A 166 70.415 94.721 53.811 1.00 91.06 H -ATOM 2420 N SER A 167 69.481 97.735 49.758 1.00 72.08 N -ATOM 2421 CA SER A 167 68.968 98.323 48.528 1.00 70.08 C -ATOM 2422 C SER A 167 70.142 98.573 47.578 1.00 75.95 C -ATOM 2423 O SER A 167 71.301 98.427 47.961 1.00 73.50 O -ATOM 2424 CB SER A 167 68.260 99.625 48.880 1.00 78.35 C -ATOM 2425 OG SER A 167 69.181 100.538 49.444 1.00 82.86 O -ATOM 2426 H SER A 167 70.448 97.945 49.956 1.00 86.50 H -ATOM 2427 HA SER A 167 68.259 97.648 48.050 1.00 84.10 H -ATOM 2428 HB2 SER A 167 67.817 100.055 47.982 1.00 94.02 H -ATOM 2429 HB3 SER A 167 67.466 99.423 49.597 1.00 94.02 H -ATOM 2430 HG SER A 167 69.852 100.049 49.923 1.00 99.43 H -ATOM 2431 N TRP A 168 69.869 98.908 46.325 1.00 79.13 N -ATOM 2432 CA TRP A 168 70.913 99.089 45.314 1.00 85.01 C -ATOM 2433 C TRP A 168 70.608 100.284 44.399 1.00 90.29 C -ATOM 2434 O TRP A 168 69.493 100.798 44.379 1.00 81.65 O -ATOM 2435 CB TRP A 168 71.075 97.775 44.530 1.00 87.02 C -ATOM 2436 CG TRP A 168 71.737 96.642 45.259 1.00 87.19 C -ATOM 2437 CD1 TRP A 168 71.145 95.831 46.165 1.00 87.23 C -ATOM 2438 CD2 TRP A 168 73.114 96.170 45.160 1.00 76.36 C -ATOM 2439 NE1 TRP A 168 72.070 94.947 46.681 1.00 78.95 N -ATOM 2440 CE2 TRP A 168 73.303 95.116 46.102 1.00 76.77 C -ATOM 2441 CE3 TRP A 168 74.220 96.494 44.346 1.00 76.28 C -ATOM 2442 CZ2 TRP A 168 74.531 94.467 46.277 1.00 71.60 C -ATOM 2443 CZ3 TRP A 168 75.455 95.830 44.491 1.00 81.24 C -ATOM 2444 CH2 TRP A 168 75.617 94.824 45.461 1.00 80.08 C -ATOM 2445 H TRP A 168 68.909 98.999 46.028 1.00 94.96 H -ATOM 2446 HA TRP A 168 71.861 99.310 45.803 1.00102.01 H -ATOM 2447 HB2 TRP A 168 70.091 97.439 44.205 1.00104.42 H -ATOM 2448 HB3 TRP A 168 71.666 97.973 43.637 1.00104.42 H -ATOM 2449 HD1 TRP A 168 70.111 95.897 46.466 1.00104.67 H -ATOM 2450 HE1 TRP A 168 71.852 94.266 47.392 1.00 94.74 H -ATOM 2451 HE3 TRP A 168 74.105 97.256 43.591 1.00 91.53 H -ATOM 2452 HZ2 TRP A 168 74.628 93.685 47.014 1.00 85.92 H -ATOM 2453 HZ3 TRP A 168 76.284 96.093 43.852 1.00 97.49 H -ATOM 2454 HH2 TRP A 168 76.566 94.321 45.564 1.00 96.09 H -ATOM 2455 N ASN A 169 71.595 100.727 43.624 1.00 85.27 N -ATOM 2456 CA ASN A 169 71.454 101.713 42.550 1.00 85.99 C -ATOM 2457 C ASN A 169 70.977 103.089 43.043 1.00 94.42 C -ATOM 2458 O ASN A 169 69.936 103.581 42.620 1.00 97.09 O -ATOM 2459 CB ASN A 169 70.626 101.135 41.386 1.00 83.38 C -ATOM 2460 CG ASN A 169 71.160 99.831 40.824 1.00 82.80 C -ATOM 2461 OD1 ASN A 169 72.164 99.280 41.245 1.00 84.87 O -ATOM 2462 ND2 ASN A 169 70.501 99.302 39.825 1.00 84.66 N -ATOM 2463 H ASN A 169 72.496 100.294 43.754 1.00102.32 H -ATOM 2464 HA ASN A 169 72.450 101.882 42.141 1.00103.18 H -ATOM 2465 HB2 ASN A 169 69.596 100.980 41.708 1.00100.05 H -ATOM 2466 HB3 ASN A 169 70.613 101.863 40.576 1.00100.05 H -ATOM 2467 HD21 ASN A 169 70.884 98.465 39.415 1.00101.59 H -ATOM 2468 HD22 ASN A 169 69.689 99.758 39.437 1.00101.59 H -ATOM 2469 N SER A 170 71.700 103.702 43.984 1.00 93.31 N -ATOM 2470 CA SER A 170 71.264 104.900 44.735 1.00 90.58 C -ATOM 2471 C SER A 170 69.993 104.638 45.556 1.00 92.21 C -ATOM 2472 O SER A 170 69.187 105.535 45.783 1.00102.75 O -ATOM 2473 CB SER A 170 71.126 106.154 43.844 1.00 98.64 C -ATOM 2474 OG SER A 170 72.322 106.428 43.142 1.00 92.56 O -ATOM 2475 H SER A 170 72.503 103.207 44.343 1.00111.97 H -ATOM 2476 HA SER A 170 72.045 105.118 45.462 1.00108.70 H -ATOM 2477 HB2 SER A 170 70.315 106.020 43.131 1.00118.36 H -ATOM 2478 HB3 SER A 170 70.887 107.010 44.471 1.00118.36 H -ATOM 2479 HG SER A 170 72.203 107.243 42.659 1.00111.07 H -ATOM 2480 N GLY A 171 69.770 103.384 45.949 1.00 95.18 N -ATOM 2481 CA GLY A 171 68.510 102.886 46.499 1.00 99.89 C -ATOM 2482 C GLY A 171 67.375 102.730 45.475 1.00104.55 C -ATOM 2483 O GLY A 171 66.300 102.270 45.848 1.00105.08 O -ATOM 2484 H GLY A 171 70.495 102.707 45.763 1.00114.22 H -ATOM 2485 HA2 GLY A 171 68.692 101.908 46.941 1.00119.87 H -ATOM 2486 HA3 GLY A 171 68.170 103.559 47.284 1.00119.87 H -ATOM 2487 N ALA A 172 67.566 103.095 44.201 1.00105.41 N -ATOM 2488 CA ALA A 172 66.530 103.032 43.167 1.00112.10 C -ATOM 2489 C ALA A 172 66.216 101.600 42.679 1.00112.96 C -ATOM 2490 O ALA A 172 65.216 101.397 41.989 1.00110.83 O -ATOM 2491 CB ALA A 172 66.917 103.955 42.002 1.00110.31 C -ATOM 2492 H ALA A 172 68.483 103.403 43.915 1.00126.49 H -ATOM 2493 HA ALA A 172 65.610 103.428 43.597 1.00134.52 H -ATOM 2494 HB1 ALA A 172 66.055 104.101 41.353 1.00132.37 H -ATOM 2495 HB2 ALA A 172 67.238 104.924 42.379 1.00132.37 H -ATOM 2496 HB3 ALA A 172 67.716 103.506 41.413 1.00132.37 H -ATOM 2497 N LEU A 173 67.033 100.605 43.042 1.00100.04 N -ATOM 2498 CA LEU A 173 66.755 99.182 42.844 1.00101.11 C -ATOM 2499 C LEU A 173 66.349 98.537 44.177 1.00 96.94 C -ATOM 2500 O LEU A 173 67.081 98.596 45.168 1.00 89.72 O -ATOM 2501 CB LEU A 173 67.969 98.503 42.185 1.00103.10 C -ATOM 2502 CG LEU A 173 67.869 96.969 42.064 1.00105.34 C -ATOM 2503 CD1 LEU A 173 66.694 96.532 41.188 1.00102.46 C -ATOM 2504 CD2 LEU A 173 69.139 96.403 41.431 1.00 97.22 C -ATOM 2505 H LEU A 173 67.840 100.841 43.600 1.00120.05 H -ATOM 2506 HA LEU A 173 65.917 99.078 42.154 1.00121.33 H -ATOM 2507 HB2 LEU A 173 68.097 98.925 41.189 1.00123.72 H -ATOM 2508 HB3 LEU A 173 68.858 98.740 42.768 1.00123.72 H -ATOM 2509 HG LEU A 173 67.760 96.530 43.054 1.00126.41 H -ATOM 2510 HD11 LEU A 173 66.695 95.448 41.087 1.00122.96 H -ATOM 2511 HD12 LEU A 173 65.746 96.825 41.637 1.00122.96 H -ATOM 2512 HD13 LEU A 173 66.775 96.980 40.199 1.00122.96 H -ATOM 2513 HD21 LEU A 173 69.092 95.315 41.415 1.00116.66 H -ATOM 2514 HD22 LEU A 173 69.242 96.766 40.410 1.00116.66 H -ATOM 2515 HD23 LEU A 173 70.015 96.702 42.004 1.00116.66 H -ATOM 2516 N THR A 174 65.174 97.904 44.170 1.00 93.39 N -ATOM 2517 CA THR A 174 64.494 97.364 45.361 1.00 96.55 C -ATOM 2518 C THR A 174 63.813 96.010 45.121 1.00 94.60 C -ATOM 2519 O THR A 174 63.835 95.159 46.010 1.00 92.59 O -ATOM 2520 CB THR A 174 63.431 98.354 45.862 1.00103.03 C -ATOM 2521 OG1 THR A 174 62.502 98.616 44.835 1.00 98.87 O -ATOM 2522 CG2 THR A 174 64.010 99.692 46.307 1.00103.58 C -ATOM 2523 H THR A 174 64.627 97.961 43.323 1.00112.07 H -ATOM 2524 HA THR A 174 65.220 97.219 46.161 1.00115.86 H -ATOM 2525 HB THR A 174 62.908 97.908 46.707 1.00123.64 H -ATOM 2526 HG1 THR A 174 61.841 99.205 45.195 1.00118.64 H -ATOM 2527 HG21 THR A 174 63.228 100.294 46.766 1.00124.29 H -ATOM 2528 HG22 THR A 174 64.797 99.523 47.040 1.00124.29 H -ATOM 2529 HG23 THR A 174 64.423 100.232 45.457 1.00124.29 H -ATOM 2530 N SER A 175 63.224 95.769 43.943 1.00 92.01 N -ATOM 2531 CA SER A 175 62.575 94.493 43.597 1.00 93.45 C -ATOM 2532 C SER A 175 63.584 93.384 43.254 1.00 88.54 C -ATOM 2533 O SER A 175 64.629 93.627 42.652 1.00 88.32 O -ATOM 2534 CB SER A 175 61.561 94.701 42.465 1.00 92.68 C -ATOM 2535 OG SER A 175 62.159 95.276 41.317 1.00 90.95 O -ATOM 2536 H SER A 175 63.200 96.501 43.250 1.00110.41 H -ATOM 2537 HA SER A 175 62.005 94.160 44.464 1.00112.14 H -ATOM 2538 HB2 SER A 175 61.115 93.742 42.202 1.00111.22 H -ATOM 2539 HB3 SER A 175 60.768 95.357 42.819 1.00111.22 H -ATOM 2540 HG SER A 175 61.483 95.367 40.647 1.00109.14 H -ATOM 2541 N GLY A 176 63.277 92.144 43.653 1.00 82.09 N -ATOM 2542 CA GLY A 176 64.123 90.962 43.426 1.00 73.34 C -ATOM 2543 C GLY A 176 65.350 90.852 44.343 1.00 71.88 C -ATOM 2544 O GLY A 176 66.161 89.944 44.179 1.00 71.38 O -ATOM 2545 H GLY A 176 62.399 92.004 44.131 1.00 98.51 H -ATOM 2546 HA2 GLY A 176 63.518 90.069 43.579 1.00 88.01 H -ATOM 2547 HA3 GLY A 176 64.470 90.961 42.394 1.00 88.01 H -ATOM 2548 N VAL A 177 65.508 91.765 45.304 1.00 73.04 N -ATOM 2549 CA VAL A 177 66.574 91.744 46.316 1.00 68.71 C -ATOM 2550 C VAL A 177 66.255 90.698 47.392 1.00 62.06 C -ATOM 2551 O VAL A 177 65.223 90.783 48.056 1.00 66.25 O -ATOM 2552 CB VAL A 177 66.734 93.145 46.942 1.00 73.14 C -ATOM 2553 CG1 VAL A 177 67.780 93.153 48.059 1.00 71.26 C -ATOM 2554 CG2 VAL A 177 67.174 94.199 45.917 1.00 79.04 C -ATOM 2555 H VAL A 177 64.800 92.480 45.385 1.00 87.65 H -ATOM 2556 HA VAL A 177 67.517 91.473 45.842 1.00 82.45 H -ATOM 2557 HB VAL A 177 65.780 93.455 47.365 1.00 87.77 H -ATOM 2558 HG11 VAL A 177 67.905 94.166 48.439 1.00 85.51 H -ATOM 2559 HG12 VAL A 177 67.459 92.523 48.887 1.00 85.51 H -ATOM 2560 HG13 VAL A 177 68.735 92.793 47.680 1.00 85.51 H -ATOM 2561 HG21 VAL A 177 67.177 95.183 46.384 1.00 94.85 H -ATOM 2562 HG22 VAL A 177 68.177 93.976 45.555 1.00 94.85 H -ATOM 2563 HG23 VAL A 177 66.483 94.224 45.075 1.00 94.85 H -ATOM 2564 N HIS A 178 67.134 89.719 47.597 1.00 58.80 N -ATOM 2565 CA HIS A 178 66.962 88.685 48.621 1.00 53.51 C -ATOM 2566 C HIS A 178 67.315 89.152 50.027 1.00 55.74 C -ATOM 2567 O HIS A 178 68.166 90.024 50.211 1.00 53.21 O -ATOM 2568 CB HIS A 178 67.802 87.459 48.286 1.00 55.06 C -ATOM 2569 CG HIS A 178 67.284 86.770 47.073 1.00 64.11 C -ATOM 2570 ND1 HIS A 178 67.641 87.042 45.780 1.00 71.28 N -ATOM 2571 CD2 HIS A 178 66.259 85.870 47.043 1.00 64.76 C -ATOM 2572 CE1 HIS A 178 66.878 86.289 44.978 1.00 73.71 C -ATOM 2573 NE2 HIS A 178 66.006 85.567 45.704 1.00 69.23 N -ATOM 2574 H HIS A 178 67.951 89.673 47.005 1.00 70.56 H -ATOM 2575 HA HIS A 178 65.917 88.379 48.632 1.00 64.21 H -ATOM 2576 HB2 HIS A 178 68.838 87.754 48.119 1.00 66.07 H -ATOM 2577 HB3 HIS A 178 67.778 86.754 49.116 1.00 66.07 H -ATOM 2578 HD1 HIS A 178 68.294 87.752 45.484 1.00 85.54 H -ATOM 2579 HD2 HIS A 178 65.720 85.494 47.899 1.00 77.71 H -ATOM 2580 HE1 HIS A 178 66.922 86.295 43.899 1.00 88.46 H -ATOM 2581 N THR A 179 66.725 88.493 51.024 1.00 53.69 N -ATOM 2582 CA THR A 179 66.868 88.822 52.450 1.00 57.83 C -ATOM 2583 C THR A 179 67.386 87.627 53.273 1.00 49.07 C -ATOM 2584 O THR A 179 67.067 86.467 53.016 1.00 47.35 O -ATOM 2585 CB THR A 179 65.553 89.398 53.004 1.00 65.96 C -ATOM 2586 OG1 THR A 179 64.482 88.495 52.858 1.00 61.33 O -ATOM 2587 CG2 THR A 179 65.158 90.687 52.283 1.00 61.00 C -ATOM 2588 H THR A 179 66.069 87.762 50.794 1.00 64.42 H -ATOM 2589 HA THR A 179 67.610 89.614 52.551 1.00 69.40 H -ATOM 2590 HB THR A 179 65.688 89.620 54.059 1.00 79.15 H -ATOM 2591 HG1 THR A 179 63.709 88.909 53.234 1.00 73.60 H -ATOM 2592 HG21 THR A 179 64.282 91.123 52.758 1.00 73.20 H -ATOM 2593 HG22 THR A 179 65.976 91.398 52.337 1.00 73.20 H -ATOM 2594 HG23 THR A 179 64.928 90.490 51.240 1.00 73.20 H -ATOM 2595 N PHE A 180 68.250 87.921 54.247 1.00 43.74 N -ATOM 2596 CA PHE A 180 69.091 86.961 54.973 1.00 37.77 C -ATOM 2597 C PHE A 180 69.028 87.255 56.485 1.00 36.13 C -ATOM 2598 O PHE A 180 69.838 88.038 56.983 1.00 37.16 O -ATOM 2599 CB PHE A 180 70.551 87.097 54.497 1.00 38.80 C -ATOM 2600 CG PHE A 180 70.918 86.577 53.120 1.00 50.16 C -ATOM 2601 CD1 PHE A 180 70.372 87.124 51.941 1.00 51.13 C -ATOM 2602 CD2 PHE A 180 71.912 85.590 53.018 1.00 55.36 C -ATOM 2603 CE1 PHE A 180 70.811 86.679 50.682 1.00 59.17 C -ATOM 2604 CE2 PHE A 180 72.356 85.153 51.759 1.00 60.32 C -ATOM 2605 CZ PHE A 180 71.822 85.714 50.590 1.00 64.76 C -ATOM 2606 H PHE A 180 68.439 88.896 54.425 1.00 52.48 H -ATOM 2607 HA PHE A 180 68.764 85.937 54.798 1.00 45.32 H -ATOM 2608 HB2 PHE A 180 70.831 88.148 54.545 1.00 46.56 H -ATOM 2609 HB3 PHE A 180 71.178 86.578 55.220 1.00 46.56 H -ATOM 2610 HD1 PHE A 180 69.652 87.926 51.991 1.00 61.35 H -ATOM 2611 HD2 PHE A 180 72.356 85.171 53.908 1.00 66.43 H -ATOM 2612 HE1 PHE A 180 70.379 87.086 49.781 1.00 71.01 H -ATOM 2613 HE2 PHE A 180 73.110 84.384 51.694 1.00 72.38 H -ATOM 2614 HZ PHE A 180 72.162 85.373 49.623 1.00 77.71 H -ATOM 2615 N PRO A 181 68.086 86.670 57.241 1.00 31.24 N -ATOM 2616 CA PRO A 181 68.009 86.868 58.686 1.00 25.59 C -ATOM 2617 C PRO A 181 69.354 86.575 59.349 1.00 26.94 C -ATOM 2618 O PRO A 181 69.943 85.523 59.110 1.00 30.83 O -ATOM 2619 CB PRO A 181 66.904 85.925 59.160 1.00 27.04 C -ATOM 2620 CG PRO A 181 65.990 85.834 57.939 1.00 33.34 C -ATOM 2621 CD PRO A 181 66.976 85.862 56.774 1.00 33.08 C -ATOM 2622 HA PRO A 181 67.713 87.897 58.885 1.00 30.70 H -ATOM 2623 HB2 PRO A 181 67.309 84.936 59.376 1.00 32.45 H -ATOM 2624 HB3 PRO A 181 66.380 86.322 60.029 1.00 32.45 H -ATOM 2625 HG2 PRO A 181 65.396 84.922 57.945 1.00 40.00 H -ATOM 2626 HG3 PRO A 181 65.350 86.714 57.896 1.00 40.00 H -ATOM 2627 HD2 PRO A 181 67.324 84.852 56.560 1.00 39.69 H -ATOM 2628 HD3 PRO A 181 66.502 86.295 55.894 1.00 39.69 H -ATOM 2629 N ALA A 182 69.891 87.517 60.122 1.00 32.04 N -ATOM 2630 CA ALA A 182 71.290 87.430 60.534 1.00 37.76 C -ATOM 2631 C ALA A 182 71.549 86.321 61.548 1.00 29.83 C -ATOM 2632 O ALA A 182 70.681 85.955 62.339 1.00 32.69 O -ATOM 2633 CB ALA A 182 71.756 88.763 61.104 1.00 45.68 C -ATOM 2634 H ALA A 182 69.384 88.372 60.294 1.00 38.45 H -ATOM 2635 HA ALA A 182 71.887 87.219 59.647 1.00 45.31 H -ATOM 2636 HB1 ALA A 182 72.832 88.745 61.271 1.00 54.82 H -ATOM 2637 HB2 ALA A 182 71.527 89.562 60.400 1.00 54.82 H -ATOM 2638 HB3 ALA A 182 71.247 88.946 62.049 1.00 54.82 H -ATOM 2639 N VAL A 183 72.785 85.842 61.578 1.00 30.30 N -ATOM 2640 CA VAL A 183 73.225 84.805 62.515 1.00 31.30 C -ATOM 2641 C VAL A 183 74.527 85.190 63.208 1.00 42.40 C -ATOM 2642 O VAL A 183 75.427 85.782 62.605 1.00 47.40 O -ATOM 2643 CB VAL A 183 73.309 83.426 61.839 1.00 29.38 C -ATOM 2644 CG1 VAL A 183 71.931 82.775 61.787 1.00 24.48 C -ATOM 2645 CG2 VAL A 183 73.857 83.471 60.409 1.00 38.66 C -ATOM 2646 H VAL A 183 73.448 86.195 60.905 1.00 36.36 H -ATOM 2647 HA VAL A 183 72.488 84.718 63.313 1.00 37.56 H -ATOM 2648 HB VAL A 183 73.956 82.785 62.438 1.00 35.25 H -ATOM 2649 HG11 VAL A 183 72.013 81.779 61.355 1.00 29.38 H -ATOM 2650 HG12 VAL A 183 71.525 82.688 62.794 1.00 29.38 H -ATOM 2651 HG13 VAL A 183 71.254 83.374 61.179 1.00 29.38 H -ATOM 2652 HG21 VAL A 183 74.040 82.458 60.059 1.00 46.39 H -ATOM 2653 HG22 VAL A 183 73.145 83.946 59.739 1.00 46.39 H -ATOM 2654 HG23 VAL A 183 74.789 84.029 60.385 1.00 46.39 H -ATOM 2655 N LEU A 184 74.599 84.894 64.506 1.00 42.21 N -ATOM 2656 CA LEU A 184 75.768 85.148 65.334 1.00 47.86 C -ATOM 2657 C LEU A 184 76.879 84.131 65.060 1.00 43.11 C -ATOM 2658 O LEU A 184 76.617 82.980 64.717 1.00 41.55 O -ATOM 2659 CB LEU A 184 75.377 85.143 66.822 1.00 56.52 C -ATOM 2660 CG LEU A 184 74.544 86.351 67.285 1.00 57.00 C -ATOM 2661 CD1 LEU A 184 74.116 86.141 68.733 1.00 51.47 C -ATOM 2662 CD2 LEU A 184 75.338 87.654 67.220 1.00 48.76 C -ATOM 2663 H LEU A 184 73.827 84.399 64.927 1.00 50.65 H -ATOM 2664 HA LEU A 184 76.158 86.134 65.079 1.00 57.43 H -ATOM 2665 HB2 LEU A 184 74.826 84.227 67.032 1.00 67.82 H -ATOM 2666 HB3 LEU A 184 76.285 85.117 67.423 1.00 67.82 H -ATOM 2667 HG LEU A 184 73.650 86.441 66.668 1.00 68.40 H -ATOM 2668 HD11 LEU A 184 73.491 86.972 69.057 1.00 61.77 H -ATOM 2669 HD12 LEU A 184 73.539 85.221 68.815 1.00 61.77 H -ATOM 2670 HD13 LEU A 184 74.990 86.076 69.379 1.00 61.77 H -ATOM 2671 HD21 LEU A 184 74.769 88.453 67.694 1.00 58.52 H -ATOM 2672 HD22 LEU A 184 76.294 87.546 67.730 1.00 58.52 H -ATOM 2673 HD23 LEU A 184 75.491 87.928 66.177 1.00 58.52 H -ATOM 2674 N GLN A 185 78.122 84.566 65.253 1.00 49.29 N -ATOM 2675 CA GLN A 185 79.349 83.848 64.899 1.00 49.13 C -ATOM 2676 C GLN A 185 80.388 83.934 66.021 1.00 55.37 C -ATOM 2677 O GLN A 185 80.220 84.697 66.971 1.00 54.34 O -ATOM 2678 CB GLN A 185 79.922 84.419 63.588 1.00 50.04 C -ATOM 2679 CG GLN A 185 78.913 84.544 62.432 1.00 49.25 C -ATOM 2680 CD GLN A 185 78.234 83.237 62.024 1.00 54.56 C -ATOM 2681 OE1 GLN A 185 78.555 82.144 62.463 1.00 52.75 O -ATOM 2682 NE2 GLN A 185 77.287 83.289 61.120 1.00 51.35 N -ATOM 2683 H GLN A 185 78.233 85.530 65.532 1.00 59.15 H -ATOM 2684 HA GLN A 185 79.125 82.791 64.761 1.00 58.96 H -ATOM 2685 HB2 GLN A 185 80.321 85.413 63.789 1.00 60.04 H -ATOM 2686 HB3 GLN A 185 80.747 83.790 63.257 1.00 60.04 H -ATOM 2687 HG2 GLN A 185 78.148 85.274 62.693 1.00 59.10 H -ATOM 2688 HG3 GLN A 185 79.438 84.937 61.562 1.00 59.10 H -ATOM 2689 HE21 GLN A 185 76.870 82.420 60.823 1.00 61.63 H -ATOM 2690 HE22 GLN A 185 77.050 84.176 60.700 1.00 61.63 H -ATOM 2691 N SER A 186 81.467 83.151 65.914 1.00 61.56 N -ATOM 2692 CA SER A 186 82.512 82.974 66.947 1.00 70.56 C -ATOM 2693 C SER A 186 83.430 84.184 67.177 1.00 65.75 C -ATOM 2694 O SER A 186 84.182 84.201 68.150 1.00 64.55 O -ATOM 2695 CB SER A 186 83.344 81.718 66.651 1.00 66.95 C -ATOM 2696 OG SER A 186 84.029 81.825 65.418 1.00 65.01 O -ATOM 2697 H SER A 186 81.546 82.567 65.094 1.00 73.87 H -ATOM 2698 HA SER A 186 82.005 82.796 67.895 1.00 84.67 H -ATOM 2699 HB2 SER A 186 84.059 81.554 67.456 1.00 80.34 H -ATOM 2700 HB3 SER A 186 82.677 80.858 66.611 1.00 80.34 H -ATOM 2701 HG SER A 186 84.867 82.261 65.574 1.00 78.01 H -ATOM 2702 N SER A 187 83.337 85.229 66.351 1.00 61.73 N -ATOM 2703 CA SER A 187 83.818 86.575 66.707 1.00 62.82 C -ATOM 2704 C SER A 187 83.011 87.207 67.858 1.00 59.50 C -ATOM 2705 O SER A 187 83.479 88.147 68.500 1.00 58.38 O -ATOM 2706 CB SER A 187 83.728 87.482 65.479 1.00 58.37 C -ATOM 2707 OG SER A 187 82.386 87.587 65.046 1.00 57.70 O -ATOM 2708 H SER A 187 82.757 85.149 65.529 1.00 74.07 H -ATOM 2709 HA SER A 187 84.861 86.517 67.015 1.00 75.39 H -ATOM 2710 HB2 SER A 187 84.104 88.473 65.725 1.00 70.04 H -ATOM 2711 HB3 SER A 187 84.336 87.068 64.675 1.00 70.04 H -ATOM 2712 HG SER A 187 82.413 88.096 64.233 1.00 69.24 H -ATOM 2713 N GLY A 188 81.809 86.687 68.131 1.00 55.34 N -ATOM 2714 CA GLY A 188 80.819 87.195 69.082 1.00 49.25 C -ATOM 2715 C GLY A 188 79.735 88.073 68.446 1.00 55.11 C -ATOM 2716 O GLY A 188 79.016 88.751 69.176 1.00 57.49 O -ATOM 2717 H GLY A 188 81.519 85.892 67.582 1.00 66.41 H -ATOM 2718 HA2 GLY A 188 80.324 86.345 69.550 1.00 59.11 H -ATOM 2719 HA3 GLY A 188 81.315 87.770 69.863 1.00 59.11 H -ATOM 2720 N LEU A 189 79.635 88.111 67.111 1.00 55.43 N -ATOM 2721 CA LEU A 189 78.964 89.181 66.353 1.00 56.26 C -ATOM 2722 C LEU A 189 78.018 88.655 65.258 1.00 54.15 C -ATOM 2723 O LEU A 189 78.097 87.495 64.860 1.00 51.49 O -ATOM 2724 CB LEU A 189 80.041 90.088 65.726 1.00 56.50 C -ATOM 2725 CG LEU A 189 81.043 90.719 66.709 1.00 54.73 C -ATOM 2726 CD1 LEU A 189 82.167 91.402 65.937 1.00 56.01 C -ATOM 2727 CD2 LEU A 189 80.371 91.763 67.598 1.00 50.69 C -ATOM 2728 H LEU A 189 80.233 87.492 66.584 1.00 66.51 H -ATOM 2729 HA LEU A 189 78.357 89.781 67.030 1.00 67.52 H -ATOM 2730 HB2 LEU A 189 80.596 89.490 65.004 1.00 67.80 H -ATOM 2731 HB3 LEU A 189 79.550 90.891 65.178 1.00 67.80 H -ATOM 2732 HG LEU A 189 81.494 89.953 67.339 1.00 65.68 H -ATOM 2733 HD11 LEU A 189 82.891 91.816 66.637 1.00 67.22 H -ATOM 2734 HD12 LEU A 189 82.675 90.670 65.312 1.00 67.22 H -ATOM 2735 HD13 LEU A 189 81.768 92.209 65.324 1.00 67.22 H -ATOM 2736 HD21 LEU A 189 81.110 92.210 68.261 1.00 60.83 H -ATOM 2737 HD22 LEU A 189 79.922 92.544 66.985 1.00 60.83 H -ATOM 2738 HD23 LEU A 189 79.601 91.297 68.212 1.00 60.83 H -ATOM 2739 N TYR A 190 77.127 89.515 64.759 1.00 50.90 N -ATOM 2740 CA TYR A 190 76.203 89.198 63.664 1.00 54.62 C -ATOM 2741 C TYR A 190 76.875 89.176 62.283 1.00 56.35 C -ATOM 2742 O TYR A 190 77.934 89.767 62.060 1.00 51.91 O -ATOM 2743 CB TYR A 190 75.040 90.199 63.634 1.00 52.55 C -ATOM 2744 CG TYR A 190 74.017 90.000 64.725 1.00 54.54 C -ATOM 2745 CD1 TYR A 190 73.011 89.030 64.564 1.00 54.66 C -ATOM 2746 CD2 TYR A 190 74.063 90.784 65.888 1.00 53.34 C -ATOM 2747 CE1 TYR A 190 72.036 88.852 65.561 1.00 59.10 C -ATOM 2748 CE2 TYR A 190 73.089 90.610 66.888 1.00 58.43 C -ATOM 2749 CZ TYR A 190 72.079 89.642 66.728 1.00 57.77 C -ATOM 2750 OH TYR A 190 71.158 89.462 67.708 1.00 57.33 O -ATOM 2751 H TYR A 190 77.158 90.475 65.066 1.00 61.08 H -ATOM 2752 HA TYR A 190 75.789 88.205 63.835 1.00 65.54 H -ATOM 2753 HB2 TYR A 190 75.431 91.215 63.670 1.00 63.06 H -ATOM 2754 HB3 TYR A 190 74.510 90.103 62.687 1.00 63.06 H -ATOM 2755 HD1 TYR A 190 72.984 88.416 63.676 1.00 65.59 H -ATOM 2756 HD2 TYR A 190 74.853 91.510 66.009 1.00 64.01 H -ATOM 2757 HE1 TYR A 190 71.264 88.108 65.438 1.00 70.92 H -ATOM 2758 HE2 TYR A 190 73.111 91.200 67.792 1.00 70.12 H -ATOM 2759 HH TYR A 190 70.543 88.762 67.488 1.00 68.79 H -ATOM 2760 N SER A 191 76.208 88.505 61.340 1.00 49.05 N -ATOM 2761 CA SER A 191 76.586 88.387 59.930 1.00 45.75 C -ATOM 2762 C SER A 191 75.351 88.180 59.040 1.00 42.30 C -ATOM 2763 O SER A 191 74.402 87.520 59.471 1.00 40.30 O -ATOM 2764 CB SER A 191 77.535 87.194 59.797 1.00 47.16 C -ATOM 2765 OG SER A 191 76.909 86.011 60.263 1.00 45.36 O -ATOM 2766 H SER A 191 75.354 88.039 61.609 1.00 58.86 H -ATOM 2767 HA SER A 191 77.109 89.288 59.610 1.00 54.90 H -ATOM 2768 HB2 SER A 191 77.823 87.067 58.754 1.00 56.59 H -ATOM 2769 HB3 SER A 191 78.431 87.380 60.389 1.00 56.59 H -ATOM 2770 HG SER A 191 76.524 86.185 61.124 1.00 54.44 H -ATOM 2771 N LEU A 192 75.380 88.699 57.805 1.00 42.66 N -ATOM 2772 CA LEU A 192 74.379 88.474 56.745 1.00 40.74 C -ATOM 2773 C LEU A 192 74.920 88.851 55.359 1.00 40.08 C -ATOM 2774 O LEU A 192 75.991 89.434 55.228 1.00 46.80 O -ATOM 2775 CB LEU A 192 73.066 89.223 57.049 1.00 46.24 C -ATOM 2776 CG LEU A 192 73.102 90.766 57.006 1.00 55.87 C -ATOM 2777 CD1 LEU A 192 73.106 91.370 55.594 1.00 55.44 C -ATOM 2778 CD2 LEU A 192 71.837 91.316 57.661 1.00 56.24 C -ATOM 2779 H LEU A 192 76.186 89.247 57.540 1.00 51.19 H -ATOM 2780 HA LEU A 192 74.151 87.409 56.719 1.00 48.89 H -ATOM 2781 HB2 LEU A 192 72.301 88.882 56.353 1.00 55.48 H -ATOM 2782 HB3 LEU A 192 72.733 88.916 58.039 1.00 55.48 H -ATOM 2783 HG LEU A 192 73.965 91.130 57.562 1.00 67.04 H -ATOM 2784 HD11 LEU A 192 72.925 92.443 55.649 1.00 66.53 H -ATOM 2785 HD12 LEU A 192 74.072 91.239 55.107 1.00 66.53 H -ATOM 2786 HD13 LEU A 192 72.326 90.913 54.986 1.00 66.53 H -ATOM 2787 HD21 LEU A 192 71.924 92.397 57.758 1.00 67.48 H -ATOM 2788 HD22 LEU A 192 70.960 91.063 57.069 1.00 67.48 H -ATOM 2789 HD23 LEU A 192 71.716 90.900 58.660 1.00 67.48 H -ATOM 2790 N SER A 193 74.162 88.567 54.307 1.00 37.75 N -ATOM 2791 CA SER A 193 74.476 88.971 52.930 1.00 40.12 C -ATOM 2792 C SER A 193 73.198 89.292 52.146 1.00 44.61 C -ATOM 2793 O SER A 193 72.109 89.276 52.706 1.00 45.46 O -ATOM 2794 CB SER A 193 75.314 87.877 52.256 1.00 43.33 C -ATOM 2795 OG SER A 193 74.764 86.595 52.446 1.00 43.86 O -ATOM 2796 H SER A 193 73.267 88.126 54.461 1.00 45.29 H -ATOM 2797 HA SER A 193 75.070 89.884 52.950 1.00 48.15 H -ATOM 2798 HB2 SER A 193 75.411 88.064 51.188 1.00 51.99 H -ATOM 2799 HB3 SER A 193 76.311 87.886 52.693 1.00 51.99 H -ATOM 2800 HG SER A 193 73.920 86.525 51.999 1.00 52.64 H -ATOM 2801 N SER A 194 73.299 89.625 50.862 1.00 49.47 N -ATOM 2802 CA SER A 194 72.144 89.773 49.961 1.00 48.63 C -ATOM 2803 C SER A 194 72.540 89.478 48.516 1.00 49.27 C -ATOM 2804 O SER A 194 73.715 89.588 48.184 1.00 57.41 O -ATOM 2805 CB SER A 194 71.537 91.167 50.075 1.00 62.91 C -ATOM 2806 OG SER A 194 70.395 91.253 49.249 1.00 63.17 O -ATOM 2807 H SER A 194 74.222 89.722 50.465 1.00 59.37 H -ATOM 2808 HA SER A 194 71.369 89.066 50.255 1.00 58.36 H -ATOM 2809 HB2 SER A 194 71.257 91.370 51.108 1.00 75.50 H -ATOM 2810 HB3 SER A 194 72.273 91.903 49.752 1.00 75.50 H -ATOM 2811 HG SER A 194 69.634 90.905 49.717 1.00 75.80 H -ATOM 2812 N VAL A 195 71.580 89.118 47.661 1.00 46.43 N -ATOM 2813 CA VAL A 195 71.766 88.883 46.223 1.00 45.87 C -ATOM 2814 C VAL A 195 70.551 89.410 45.448 1.00 63.50 C -ATOM 2815 O VAL A 195 69.421 89.311 45.926 1.00 61.49 O -ATOM 2816 CB VAL A 195 71.996 87.390 45.919 1.00 38.73 C -ATOM 2817 CG1 VAL A 195 72.304 87.145 44.439 1.00 46.81 C -ATOM 2818 CG2 VAL A 195 73.161 86.797 46.713 1.00 41.25 C -ATOM 2819 H VAL A 195 70.627 89.164 47.992 1.00 55.72 H -ATOM 2820 HA VAL A 195 72.645 89.436 45.894 1.00 55.04 H -ATOM 2821 HB VAL A 195 71.094 86.838 46.181 1.00 46.47 H -ATOM 2822 HG11 VAL A 195 72.484 86.084 44.273 1.00 56.17 H -ATOM 2823 HG12 VAL A 195 71.464 87.432 43.810 1.00 56.17 H -ATOM 2824 HG13 VAL A 195 73.193 87.697 44.140 1.00 56.17 H -ATOM 2825 HG21 VAL A 195 73.314 85.756 46.429 1.00 49.50 H -ATOM 2826 HG22 VAL A 195 74.073 87.359 46.513 1.00 49.50 H -ATOM 2827 HG23 VAL A 195 72.946 86.823 47.781 1.00 49.50 H -ATOM 2828 N VAL A 196 70.758 89.931 44.241 1.00 62.07 N -ATOM 2829 CA VAL A 196 69.746 90.485 43.325 1.00 65.22 C -ATOM 2830 C VAL A 196 70.133 90.180 41.874 1.00 67.98 C -ATOM 2831 O VAL A 196 71.295 89.887 41.594 1.00 72.93 O -ATOM 2832 CB VAL A 196 69.570 91.990 43.592 1.00 64.99 C -ATOM 2833 CG1 VAL A 196 70.824 92.809 43.272 1.00 69.48 C -ATOM 2834 CG2 VAL A 196 68.401 92.586 42.812 1.00 68.15 C -ATOM 2835 H VAL A 196 71.713 89.973 43.915 1.00 74.48 H -ATOM 2836 HA VAL A 196 68.792 89.995 43.519 1.00 78.26 H -ATOM 2837 HB VAL A 196 69.355 92.112 44.653 1.00 77.98 H -ATOM 2838 HG11 VAL A 196 70.666 93.848 43.556 1.00 83.38 H -ATOM 2839 HG12 VAL A 196 71.677 92.429 43.833 1.00 83.38 H -ATOM 2840 HG13 VAL A 196 71.050 92.763 42.208 1.00 83.38 H -ATOM 2841 HG21 VAL A 196 68.204 93.597 43.167 1.00 81.78 H -ATOM 2842 HG22 VAL A 196 68.630 92.645 41.749 1.00 81.78 H -ATOM 2843 HG23 VAL A 196 67.503 91.988 42.961 1.00 81.78 H -ATOM 2844 N THR A 197 69.170 90.171 40.953 1.00 68.17 N -ATOM 2845 CA THR A 197 69.350 89.572 39.619 1.00 80.98 C -ATOM 2846 C THR A 197 68.828 90.444 38.463 1.00 89.47 C -ATOM 2847 O THR A 197 67.655 90.820 38.450 1.00 90.72 O -ATOM 2848 CB THR A 197 68.667 88.196 39.583 1.00 90.42 C -ATOM 2849 OG1 THR A 197 67.288 88.313 39.857 1.00 92.25 O -ATOM 2850 CG2 THR A 197 69.215 87.228 40.628 1.00 88.78 C -ATOM 2851 H THR A 197 68.230 90.411 41.234 1.00 81.81 H -ATOM 2852 HA THR A 197 70.411 89.403 39.439 1.00 97.17 H -ATOM 2853 HB THR A 197 68.805 87.761 38.594 1.00108.50 H -ATOM 2854 HG1 THR A 197 66.939 88.988 39.274 1.00110.70 H -ATOM 2855 HG21 THR A 197 68.809 86.235 40.447 1.00106.54 H -ATOM 2856 HG22 THR A 197 70.300 87.185 40.556 1.00106.54 H -ATOM 2857 HG23 THR A 197 68.936 87.543 41.631 1.00106.54 H -ATOM 2858 N VAL A 198 69.660 90.692 37.443 1.00 91.62 N -ATOM 2859 CA VAL A 198 69.348 91.489 36.227 1.00 95.02 C -ATOM 2860 C VAL A 198 70.024 90.879 34.977 1.00 95.00 C -ATOM 2861 O VAL A 198 70.863 89.987 35.128 1.00 95.56 O -ATOM 2862 CB VAL A 198 69.747 92.974 36.410 1.00100.74 C -ATOM 2863 CG1 VAL A 198 69.106 93.611 37.646 1.00101.03 C -ATOM 2864 CG2 VAL A 198 71.256 93.205 36.489 1.00 93.77 C -ATOM 2865 H VAL A 198 70.608 90.357 37.524 1.00109.94 H -ATOM 2866 HA VAL A 198 68.273 91.456 36.055 1.00114.03 H -ATOM 2867 HB VAL A 198 69.382 93.537 35.553 1.00120.88 H -ATOM 2868 HG11 VAL A 198 69.290 94.684 37.640 1.00121.23 H -ATOM 2869 HG12 VAL A 198 68.031 93.444 37.629 1.00121.23 H -ATOM 2870 HG13 VAL A 198 69.528 93.193 38.558 1.00121.23 H -ATOM 2871 HG21 VAL A 198 71.460 94.259 36.667 1.00112.53 H -ATOM 2872 HG22 VAL A 198 71.689 92.618 37.297 1.00112.53 H -ATOM 2873 HG23 VAL A 198 71.723 92.934 35.544 1.00112.53 H -ATOM 2874 N PRO A 199 69.703 91.293 33.735 1.00 95.19 N -ATOM 2875 CA PRO A 199 70.419 90.831 32.542 1.00 91.31 C -ATOM 2876 C PRO A 199 71.903 91.213 32.566 1.00 90.79 C -ATOM 2877 O PRO A 199 72.260 92.312 32.977 1.00 91.19 O -ATOM 2878 CB PRO A 199 69.713 91.479 31.343 1.00 92.79 C -ATOM 2879 CG PRO A 199 68.328 91.825 31.882 1.00 98.05 C -ATOM 2880 CD PRO A 199 68.615 92.172 33.341 1.00 97.53 C -ATOM 2881 HA PRO A 199 70.319 89.749 32.471 1.00109.57 H -ATOM 2882 HB2 PRO A 199 70.221 92.398 31.055 1.00111.35 H -ATOM 2883 HB3 PRO A 199 69.654 90.800 30.493 1.00111.35 H -ATOM 2884 HG2 PRO A 199 67.883 92.663 31.347 1.00117.66 H -ATOM 2885 HG3 PRO A 199 67.685 90.948 31.832 1.00117.66 H -ATOM 2886 HD2 PRO A 199 68.940 93.210 33.402 1.00117.04 H -ATOM 2887 HD3 PRO A 199 67.724 92.016 33.947 1.00117.04 H -ATOM 2888 N SER A 200 72.787 90.344 32.079 1.00 88.64 N -ATOM 2889 CA SER A 200 74.237 90.594 32.069 1.00 90.21 C -ATOM 2890 C SER A 200 74.656 91.793 31.211 1.00 92.27 C -ATOM 2891 O SER A 200 75.666 92.431 31.503 1.00 89.73 O -ATOM 2892 CB SER A 200 74.977 89.342 31.595 1.00 87.23 C -ATOM 2893 OG SER A 200 74.553 88.959 30.298 1.00 90.52 O -ATOM 2894 H SER A 200 72.457 89.453 31.738 1.00106.37 H -ATOM 2895 HA SER A 200 74.558 90.805 33.088 1.00108.25 H -ATOM 2896 HB2 SER A 200 76.050 89.531 31.590 1.00104.67 H -ATOM 2897 HB3 SER A 200 74.779 88.532 32.294 1.00104.67 H -ATOM 2898 HG SER A 200 75.077 89.416 29.645 1.00108.63 H -ATOM 2899 N SER A 201 73.880 92.139 30.182 1.00 95.49 N -ATOM 2900 CA SER A 201 74.167 93.257 29.275 1.00 93.61 C -ATOM 2901 C SER A 201 74.280 94.615 29.976 1.00 95.20 C -ATOM 2902 O SER A 201 74.967 95.499 29.468 1.00 95.27 O -ATOM 2903 CB SER A 201 73.072 93.330 28.205 1.00 96.51 C -ATOM 2904 OG SER A 201 71.786 93.511 28.780 1.00 92.19 O -ATOM 2905 H SER A 201 73.049 91.595 30.007 1.00114.59 H -ATOM 2906 HA SER A 201 75.115 93.065 28.773 1.00112.33 H -ATOM 2907 HB2 SER A 201 73.287 94.160 27.532 1.00115.82 H -ATOM 2908 HB3 SER A 201 73.081 92.408 27.625 1.00115.82 H -ATOM 2909 HG SER A 201 71.149 93.561 28.066 1.00110.63 H -ATOM 2910 N SER A 202 73.643 94.805 31.136 1.00 97.29 N -ATOM 2911 CA SER A 202 73.688 96.067 31.879 1.00 94.95 C -ATOM 2912 C SER A 202 74.879 96.194 32.831 1.00 94.42 C -ATOM 2913 O SER A 202 75.109 97.286 33.356 1.00 97.70 O -ATOM 2914 CB SER A 202 72.390 96.268 32.654 1.00 94.39 C -ATOM 2915 OG SER A 202 72.304 95.350 33.719 1.00 92.80 O -ATOM 2916 H SER A 202 73.091 94.052 31.520 1.00116.74 H -ATOM 2917 HA SER A 202 73.763 96.888 31.166 1.00113.94 H -ATOM 2918 HB2 SER A 202 72.376 97.280 33.056 1.00113.27 H -ATOM 2919 HB3 SER A 202 71.536 96.145 31.989 1.00113.27 H -ATOM 2920 HG SER A 202 71.889 95.808 34.451 1.00111.36 H -ATOM 2921 N LEU A 203 75.671 95.139 33.062 1.00 89.48 N -ATOM 2922 CA LEU A 203 76.791 95.196 34.006 1.00 88.26 C -ATOM 2923 C LEU A 203 77.786 96.311 33.629 1.00 96.75 C -ATOM 2924 O LEU A 203 78.120 96.491 32.456 1.00 95.94 O -ATOM 2925 CB LEU A 203 77.458 93.815 34.110 1.00 77.52 C -ATOM 2926 CG LEU A 203 78.542 93.716 35.197 1.00 73.15 C -ATOM 2927 CD1 LEU A 203 77.986 93.960 36.600 1.00 67.82 C -ATOM 2928 CD2 LEU A 203 79.149 92.318 35.183 1.00 77.33 C -ATOM 2929 H LEU A 203 75.481 94.270 32.584 1.00107.38 H -ATOM 2930 HA LEU A 203 76.361 95.441 34.977 1.00105.92 H -ATOM 2931 HB2 LEU A 203 76.691 93.070 34.317 1.00 93.02 H -ATOM 2932 HB3 LEU A 203 77.906 93.573 33.147 1.00 93.02 H -ATOM 2933 HG LEU A 203 79.331 94.438 34.995 1.00 87.78 H -ATOM 2934 HD11 LEU A 203 78.768 93.794 37.337 1.00 81.39 H -ATOM 2935 HD12 LEU A 203 77.644 94.988 36.709 1.00 81.39 H -ATOM 2936 HD13 LEU A 203 77.158 93.284 36.797 1.00 81.39 H -ATOM 2937 HD21 LEU A 203 79.946 92.251 35.922 1.00 92.80 H -ATOM 2938 HD22 LEU A 203 78.389 91.573 35.406 1.00 92.80 H -ATOM 2939 HD23 LEU A 203 79.571 92.115 34.201 1.00 92.80 H -ATOM 2940 N GLY A 204 78.181 97.125 34.613 1.00 99.05 N -ATOM 2941 CA GLY A 204 79.041 98.302 34.429 1.00 92.96 C -ATOM 2942 C GLY A 204 78.463 99.440 33.571 1.00 99.98 C -ATOM 2943 O GLY A 204 79.133 100.447 33.370 1.00101.82 O -ATOM 2944 H GLY A 204 77.850 96.938 35.548 1.00118.86 H -ATOM 2945 HA2 GLY A 204 79.291 98.716 35.404 1.00111.55 H -ATOM 2946 HA3 GLY A 204 79.960 97.967 33.951 1.00111.55 H -ATOM 2947 N THR A 205 77.242 99.286 33.047 1.00102.50 N -ATOM 2948 CA THR A 205 76.615 100.190 32.061 1.00103.46 C -ATOM 2949 C THR A 205 75.801 101.314 32.720 1.00104.63 C -ATOM 2950 O THR A 205 75.495 102.322 32.085 1.00106.03 O -ATOM 2951 CB THR A 205 75.719 99.365 31.114 1.00100.19 C -ATOM 2952 OG1 THR A 205 76.433 98.260 30.604 1.00 96.09 O -ATOM 2953 CG2 THR A 205 75.191 100.124 29.901 1.00104.91 C -ATOM 2954 H THR A 205 76.740 98.443 33.281 1.00123.01 H -ATOM 2955 HA THR A 205 77.394 100.661 31.463 1.00124.16 H -ATOM 2956 HB THR A 205 74.860 98.993 31.671 1.00120.23 H -ATOM 2957 HG1 THR A 205 76.709 97.721 31.348 1.00115.30 H -ATOM 2958 HG21 THR A 205 74.702 99.434 29.219 1.00125.89 H -ATOM 2959 HG22 THR A 205 74.457 100.863 30.213 1.00125.89 H -ATOM 2960 HG23 THR A 205 76.007 100.621 29.386 1.00125.89 H -ATOM 2961 N GLN A 206 75.448 101.152 33.995 1.00 99.53 N -ATOM 2962 CA GLN A 206 74.534 102.000 34.769 1.00 94.48 C -ATOM 2963 C GLN A 206 75.115 102.283 36.167 1.00 95.44 C -ATOM 2964 O GLN A 206 76.144 101.721 36.548 1.00 98.94 O -ATOM 2965 CB GLN A 206 73.155 101.311 34.841 1.00 95.86 C -ATOM 2966 CG GLN A 206 72.422 101.331 33.491 1.00 91.51 C -ATOM 2967 CD GLN A 206 71.168 100.464 33.435 1.00 96.88 C -ATOM 2968 OE1 GLN A 206 70.874 99.646 34.296 1.00 98.27 O -ATOM 2969 NE2 GLN A 206 70.388 100.584 32.387 1.00 98.06 N -ATOM 2970 H GLN A 206 75.809 100.338 34.471 1.00119.44 H -ATOM 2971 HA GLN A 206 74.410 102.963 34.275 1.00113.37 H -ATOM 2972 HB2 GLN A 206 73.305 100.280 35.155 1.00115.03 H -ATOM 2973 HB3 GLN A 206 72.526 101.810 35.575 1.00115.03 H -ATOM 2974 HG2 GLN A 206 72.151 102.357 33.254 1.00109.81 H -ATOM 2975 HG3 GLN A 206 73.085 100.971 32.707 1.00109.81 H -ATOM 2976 HE21 GLN A 206 69.550 100.024 32.344 1.00117.67 H -ATOM 2977 HE22 GLN A 206 70.602 101.254 31.665 1.00117.67 H -ATOM 2978 N THR A 207 74.473 103.163 36.939 1.00 97.55 N -ATOM 2979 CA THR A 207 74.828 103.477 38.339 1.00 96.85 C -ATOM 2980 C THR A 207 74.538 102.284 39.256 1.00105.00 C -ATOM 2981 O THR A 207 73.513 102.247 39.936 1.00 91.71 O -ATOM 2982 CB THR A 207 74.084 104.741 38.819 1.00 91.07 C -ATOM 2983 OG1 THR A 207 74.393 105.814 37.962 1.00 96.92 O -ATOM 2984 CG2 THR A 207 74.484 105.195 40.224 1.00 96.47 C -ATOM 2985 H THR A 207 73.670 103.634 36.549 1.00117.06 H -ATOM 2986 HA THR A 207 75.896 103.685 38.390 1.00116.22 H -ATOM 2987 HB THR A 207 73.009 104.570 38.789 1.00109.28 H -ATOM 2988 HG1 THR A 207 73.867 106.563 38.246 1.00116.31 H -ATOM 2989 HG21 THR A 207 74.051 106.169 40.440 1.00115.77 H -ATOM 2990 HG22 THR A 207 74.114 104.495 40.968 1.00115.77 H -ATOM 2991 HG23 THR A 207 75.566 105.255 40.297 1.00115.77 H -ATOM 2992 N TYR A 208 75.415 101.277 39.255 1.00 92.88 N -ATOM 2993 CA TYR A 208 75.255 100.049 40.037 1.00 83.87 C -ATOM 2994 C TYR A 208 76.146 100.087 41.269 1.00 71.75 C -ATOM 2995 O TYR A 208 77.346 100.354 41.207 1.00 71.94 O -ATOM 2996 CB TYR A 208 75.488 98.796 39.180 1.00 83.17 C -ATOM 2997 CG TYR A 208 74.379 98.398 38.207 1.00 85.25 C -ATOM 2998 CD1 TYR A 208 73.207 99.167 38.044 1.00 85.71 C -ATOM 2999 CD2 TYR A 208 74.513 97.199 37.477 1.00 90.96 C -ATOM 3000 CE1 TYR A 208 72.191 98.752 37.167 1.00 88.66 C -ATOM 3001 CE2 TYR A 208 73.497 96.777 36.594 1.00 91.01 C -ATOM 3002 CZ TYR A 208 72.332 97.558 36.436 1.00 92.82 C -ATOM 3003 OH TYR A 208 71.356 97.194 35.563 1.00 91.25 O -ATOM 3004 H TYR A 208 76.200 101.334 38.622 1.00111.46 H -ATOM 3005 HA TYR A 208 74.232 99.991 40.405 1.00100.65 H -ATOM 3006 HB2 TYR A 208 76.417 98.916 38.625 1.00 99.81 H -ATOM 3007 HB3 TYR A 208 75.627 97.955 39.859 1.00 99.81 H -ATOM 3008 HD1 TYR A 208 73.058 100.086 38.592 1.00102.86 H -ATOM 3009 HD2 TYR A 208 75.397 96.591 37.604 1.00109.15 H -ATOM 3010 HE1 TYR A 208 71.305 99.355 37.041 1.00106.39 H -ATOM 3011 HE2 TYR A 208 73.610 95.860 36.036 1.00109.21 H -ATOM 3012 HH TYR A 208 70.940 97.984 35.214 1.00109.50 H -ATOM 3013 N ILE A 209 75.509 99.897 42.415 1.00 72.54 N -ATOM 3014 CA ILE A 209 76.048 100.291 43.708 1.00 75.00 C -ATOM 3015 C ILE A 209 75.223 99.627 44.807 1.00 79.84 C -ATOM 3016 O ILE A 209 73.998 99.633 44.762 1.00 81.56 O -ATOM 3017 CB ILE A 209 76.074 101.839 43.823 1.00 75.28 C -ATOM 3018 CG1 ILE A 209 76.517 102.317 45.218 1.00 84.29 C -ATOM 3019 CG2 ILE A 209 74.737 102.485 43.447 1.00 78.81 C -ATOM 3020 CD1 ILE A 209 76.642 103.839 45.378 1.00 85.29 C -ATOM 3021 H ILE A 209 74.527 99.662 42.380 1.00 87.04 H -ATOM 3022 HA ILE A 209 77.069 99.920 43.786 1.00 90.00 H -ATOM 3023 HB ILE A 209 76.809 102.205 43.107 1.00 90.34 H -ATOM 3024 HG12 ILE A 209 75.822 101.951 45.970 1.00101.14 H -ATOM 3025 HG13 ILE A 209 77.496 101.893 45.430 1.00101.14 H -ATOM 3026 HG21 ILE A 209 74.802 103.571 43.478 1.00 94.57 H -ATOM 3027 HG22 ILE A 209 74.486 102.228 42.420 1.00 94.57 H -ATOM 3028 HG23 ILE A 209 73.961 102.140 44.127 1.00 94.57 H -ATOM 3029 HD11 ILE A 209 77.137 104.061 46.321 1.00102.34 H -ATOM 3030 HD12 ILE A 209 77.231 104.256 44.566 1.00102.34 H -ATOM 3031 HD13 ILE A 209 75.662 104.309 45.396 1.00102.34 H -ATOM 3032 N CYS A 210 75.910 99.043 45.777 1.00 77.78 N -ATOM 3033 CA CYS A 210 75.377 98.484 47.012 1.00 80.17 C -ATOM 3034 C CYS A 210 74.992 99.624 47.969 1.00 81.40 C -ATOM 3035 O CYS A 210 75.834 100.489 48.209 1.00 81.32 O -ATOM 3036 CB CYS A 210 76.517 97.613 47.570 1.00 81.60 C -ATOM 3037 SG CYS A 210 76.072 96.767 49.104 1.00 89.56 S -ATOM 3038 H CYS A 210 76.916 99.104 45.720 1.00 93.33 H -ATOM 3039 HA CYS A 210 74.501 97.871 46.806 1.00 96.20 H -ATOM 3040 HB2 CYS A 210 76.797 96.868 46.826 1.00 97.92 H -ATOM 3041 HB3 CYS A 210 77.383 98.244 47.766 1.00 97.92 H -ATOM 3042 HG CYS A 210 75.189 95.925 48.561 1.00107.47 H -ATOM 3043 N ASN A 211 73.771 99.641 48.516 1.00 76.03 N -ATOM 3044 CA ASN A 211 73.272 100.691 49.415 1.00 77.70 C -ATOM 3045 C ASN A 211 72.590 100.102 50.673 1.00 79.68 C -ATOM 3046 O ASN A 211 71.508 99.519 50.598 1.00 77.99 O -ATOM 3047 CB ASN A 211 72.306 101.592 48.626 1.00 83.07 C -ATOM 3048 CG ASN A 211 72.897 102.232 47.385 1.00 87.41 C -ATOM 3049 OD1 ASN A 211 72.429 102.042 46.273 1.00 96.60 O -ATOM 3050 ND2 ASN A 211 73.899 103.057 47.530 1.00 90.49 N -ATOM 3051 H ASN A 211 73.109 98.926 48.250 1.00 91.23 H -ATOM 3052 HA ASN A 211 74.106 101.304 49.756 1.00 93.24 H -ATOM 3053 HB2 ASN A 211 71.443 101.008 48.310 1.00 99.68 H -ATOM 3054 HB3 ASN A 211 71.957 102.391 49.280 1.00 99.68 H -ATOM 3055 HD21 ASN A 211 74.305 103.488 46.713 1.00108.59 H -ATOM 3056 HD22 ASN A 211 74.270 103.234 48.452 1.00108.59 H -ATOM 3057 N VAL A 212 73.201 100.261 51.848 1.00 76.96 N -ATOM 3058 CA VAL A 212 72.846 99.548 53.096 1.00 77.95 C -ATOM 3059 C VAL A 212 72.611 100.511 54.258 1.00 80.09 C -ATOM 3060 O VAL A 212 73.296 101.523 54.349 1.00 81.79 O -ATOM 3061 CB VAL A 212 73.962 98.550 53.470 1.00 77.66 C -ATOM 3062 CG1 VAL A 212 73.676 97.784 54.768 1.00 71.44 C -ATOM 3063 CG2 VAL A 212 74.185 97.524 52.353 1.00 77.75 C -ATOM 3064 H VAL A 212 74.060 100.790 51.864 1.00 92.35 H -ATOM 3065 HA VAL A 212 71.926 98.984 52.944 1.00 93.54 H -ATOM 3066 HB VAL A 212 74.893 99.098 53.610 1.00 93.19 H -ATOM 3067 HG11 VAL A 212 74.427 97.010 54.917 1.00 85.73 H -ATOM 3068 HG12 VAL A 212 73.724 98.454 55.625 1.00 85.73 H -ATOM 3069 HG13 VAL A 212 72.694 97.318 54.718 1.00 85.73 H -ATOM 3070 HG21 VAL A 212 74.925 96.786 52.658 1.00 93.30 H -ATOM 3071 HG22 VAL A 212 73.249 97.022 52.118 1.00 93.30 H -ATOM 3072 HG23 VAL A 212 74.559 98.019 51.459 1.00 93.30 H -ATOM 3073 N ASN A 213 71.702 100.187 55.186 1.00 79.94 N -ATOM 3074 CA ASN A 213 71.571 100.876 56.478 1.00 76.37 C -ATOM 3075 C ASN A 213 71.621 99.919 57.683 1.00 73.37 C -ATOM 3076 O ASN A 213 70.806 99.003 57.790 1.00 70.82 O -ATOM 3077 CB ASN A 213 70.291 101.722 56.483 1.00 77.89 C -ATOM 3078 CG ASN A 213 70.484 103.027 55.743 1.00 86.79 C -ATOM 3079 OD1 ASN A 213 70.936 104.008 56.304 1.00 81.53 O -ATOM 3080 ND2 ASN A 213 70.140 103.091 54.480 1.00 88.97 N -ATOM 3081 H ASN A 213 71.159 99.349 55.044 1.00 95.93 H -ATOM 3082 HA ASN A 213 72.409 101.561 56.598 1.00 91.64 H -ATOM 3083 HB2 ASN A 213 69.465 101.157 56.053 1.00 93.46 H -ATOM 3084 HB3 ASN A 213 70.029 101.967 57.511 1.00 93.46 H -ATOM 3085 HD21 ASN A 213 70.245 103.973 54.001 1.00106.76 H -ATOM 3086 HD22 ASN A 213 69.747 102.286 54.016 1.00106.76 H -ATOM 3087 N HIS A 214 72.530 100.172 58.629 1.00 71.35 N -ATOM 3088 CA HIS A 214 72.612 99.478 59.925 1.00 64.76 C -ATOM 3089 C HIS A 214 71.728 100.182 60.951 1.00 69.90 C -ATOM 3090 O HIS A 214 72.129 101.191 61.527 1.00 71.85 O -ATOM 3091 CB HIS A 214 74.075 99.437 60.394 1.00 62.52 C -ATOM 3092 CG HIS A 214 74.245 98.939 61.808 1.00 58.78 C -ATOM 3093 ND1 HIS A 214 74.645 99.712 62.900 1.00 62.09 N -ATOM 3094 CD2 HIS A 214 73.997 97.672 62.237 1.00 65.71 C -ATOM 3095 CE1 HIS A 214 74.667 98.877 63.952 1.00 65.08 C -ATOM 3096 NE2 HIS A 214 74.256 97.653 63.589 1.00 65.54 N -ATOM 3097 H HIS A 214 73.149 100.956 58.480 1.00 85.62 H -ATOM 3098 HA HIS A 214 72.258 98.453 59.823 1.00 77.71 H -ATOM 3099 HB2 HIS A 214 74.643 98.793 59.725 1.00 75.02 H -ATOM 3100 HB3 HIS A 214 74.499 100.438 60.337 1.00 75.02 H -ATOM 3101 HD2 HIS A 214 73.654 96.844 61.636 1.00 78.85 H -ATOM 3102 HE1 HIS A 214 74.965 99.153 64.952 1.00 78.10 H -ATOM 3103 HE2 HIS A 214 74.118 96.864 64.202 1.00 78.65 H -ATOM 3104 N LYS A 215 70.510 99.692 61.178 1.00 70.48 N -ATOM 3105 CA LYS A 215 69.473 100.419 61.936 1.00 77.60 C -ATOM 3106 C LYS A 215 69.844 100.771 63.393 1.00 79.26 C -ATOM 3107 O LYS A 215 69.476 101.858 63.826 1.00 78.68 O -ATOM 3108 CB LYS A 215 68.139 99.656 61.854 1.00 77.48 C -ATOM 3109 CG LYS A 215 67.579 99.510 60.428 1.00 80.33 C -ATOM 3110 CD LYS A 215 67.143 100.858 59.835 1.00 87.84 C -ATOM 3111 CE LYS A 215 66.493 100.673 58.460 1.00 90.88 C -ATOM 3112 NZ LYS A 215 65.925 101.945 57.941 1.00 93.49 N -ATOM 3113 H LYS A 215 70.264 98.803 60.769 1.00 84.58 H -ATOM 3114 HA LYS A 215 69.326 101.389 61.459 1.00 93.12 H -ATOM 3115 HB2 LYS A 215 68.270 98.658 62.271 1.00 92.97 H -ATOM 3116 HB3 LYS A 215 67.396 100.169 62.464 1.00 92.97 H -ATOM 3117 HG2 LYS A 215 68.318 99.043 59.778 1.00 96.40 H -ATOM 3118 HG3 LYS A 215 66.712 98.852 60.472 1.00 96.40 H -ATOM 3119 HD2 LYS A 215 66.427 101.321 60.511 1.00105.40 H -ATOM 3120 HD3 LYS A 215 68.003 101.515 59.733 1.00105.40 H -ATOM 3121 HE2 LYS A 215 67.235 100.275 57.771 1.00109.06 H -ATOM 3122 HE3 LYS A 215 65.702 99.932 58.549 1.00109.06 H -ATOM 3123 HZ1 LYS A 215 65.477 101.811 57.049 1.00112.19 H -ATOM 3124 HZ2 LYS A 215 65.223 102.308 58.567 1.00112.19 H -ATOM 3125 HZ3 LYS A 215 66.629 102.657 57.832 1.00112.19 H -ATOM 3126 N PRO A 216 70.624 99.973 64.152 1.00 79.45 N -ATOM 3127 CA PRO A 216 71.047 100.355 65.504 1.00 72.70 C -ATOM 3128 C PRO A 216 71.984 101.563 65.578 1.00 74.56 C -ATOM 3129 O PRO A 216 72.055 102.205 66.622 1.00 75.55 O -ATOM 3130 CB PRO A 216 71.700 99.119 66.107 1.00 68.03 C -ATOM 3131 CG PRO A 216 70.982 97.997 65.375 1.00 70.55 C -ATOM 3132 CD PRO A 216 70.836 98.554 63.970 1.00 75.63 C -ATOM 3133 HA PRO A 216 70.154 100.583 66.086 1.00 87.24 H -ATOM 3134 HB2 PRO A 216 72.764 99.094 65.874 1.00 81.64 H -ATOM 3135 HB3 PRO A 216 71.541 99.066 67.184 1.00 81.64 H -ATOM 3136 HG2 PRO A 216 71.562 97.075 65.384 1.00 84.66 H -ATOM 3137 HG3 PRO A 216 69.997 97.848 65.816 1.00 84.66 H -ATOM 3138 HD2 PRO A 216 71.745 98.387 63.394 1.00 90.76 H -ATOM 3139 HD3 PRO A 216 69.986 98.079 63.483 1.00 90.76 H -ATOM 3140 N SER A 217 72.670 101.912 64.488 1.00 73.26 N -ATOM 3141 CA SER A 217 73.340 103.216 64.350 1.00 72.95 C -ATOM 3142 C SER A 217 72.622 104.172 63.390 1.00 74.13 C -ATOM 3143 O SER A 217 72.970 105.345 63.317 1.00 75.27 O -ATOM 3144 CB SER A 217 74.772 103.005 63.873 1.00 79.96 C -ATOM 3145 OG SER A 217 74.773 102.499 62.550 1.00 79.48 O -ATOM 3146 H SER A 217 72.636 101.309 63.679 1.00 87.91 H -ATOM 3147 HA SER A 217 73.392 103.716 65.317 1.00 87.54 H -ATOM 3148 HB2 SER A 217 75.298 103.958 63.891 1.00 95.95 H -ATOM 3149 HB3 SER A 217 75.286 102.311 64.537 1.00 95.95 H -ATOM 3150 HG SER A 217 74.744 101.542 62.608 1.00 95.38 H -ATOM 3151 N ASN A 218 71.670 103.661 62.609 1.00 71.68 N -ATOM 3152 CA ASN A 218 71.086 104.268 61.414 1.00 72.91 C -ATOM 3153 C ASN A 218 72.117 104.755 60.377 1.00 74.29 C -ATOM 3154 O ASN A 218 71.818 105.615 59.551 1.00 79.38 O -ATOM 3155 CB ASN A 218 70.016 105.296 61.809 1.00 80.90 C -ATOM 3156 CG ASN A 218 68.833 104.620 62.467 1.00 82.68 C -ATOM 3157 OD1 ASN A 218 68.183 103.772 61.875 1.00 79.24 O -ATOM 3158 ND2 ASN A 218 68.515 104.971 63.690 1.00 83.37 N -ATOM 3159 H ASN A 218 71.475 102.680 62.735 1.00 86.02 H -ATOM 3160 HA ASN A 218 70.567 103.465 60.892 1.00 87.50 H -ATOM 3161 HB2 ASN A 218 70.444 106.047 62.472 1.00 97.08 H -ATOM 3162 HB3 ASN A 218 69.642 105.805 60.921 1.00 97.08 H -ATOM 3163 HD21 ASN A 218 67.748 104.494 64.140 1.00100.04 H -ATOM 3164 HD22 ASN A 218 69.047 105.677 64.175 1.00100.04 H -ATOM 3165 N THR A 219 73.337 104.218 60.396 1.00 73.70 N -ATOM 3166 CA THR A 219 74.393 104.618 59.454 1.00 77.53 C -ATOM 3167 C THR A 219 74.131 104.051 58.061 1.00 78.53 C -ATOM 3168 O THR A 219 73.960 102.838 57.925 1.00 80.49 O -ATOM 3169 CB THR A 219 75.769 104.154 59.950 1.00 78.80 C -ATOM 3170 OG1 THR A 219 76.008 104.656 61.243 1.00 77.02 O -ATOM 3171 CG2 THR A 219 76.917 104.615 59.058 1.00 79.32 C -ATOM 3172 H THR A 219 73.537 103.498 61.074 1.00 88.44 H -ATOM 3173 HA THR A 219 74.416 105.705 59.387 1.00 93.04 H -ATOM 3174 HB THR A 219 75.784 103.066 59.999 1.00 94.56 H -ATOM 3175 HG1 THR A 219 75.531 104.068 61.830 1.00 92.43 H -ATOM 3176 HG21 THR A 219 77.866 104.364 59.527 1.00 95.18 H -ATOM 3177 HG22 THR A 219 76.870 104.105 58.097 1.00 95.18 H -ATOM 3178 HG23 THR A 219 76.867 105.691 58.903 1.00 95.18 H -ATOM 3179 N LYS A 220 74.161 104.896 57.023 1.00 81.58 N -ATOM 3180 CA LYS A 220 74.182 104.449 55.624 1.00 84.22 C -ATOM 3181 C LYS A 220 75.599 104.060 55.196 1.00 83.59 C -ATOM 3182 O LYS A 220 76.561 104.763 55.506 1.00 80.32 O -ATOM 3183 CB LYS A 220 73.576 105.514 54.698 1.00 88.32 C -ATOM 3184 CG LYS A 220 73.259 104.926 53.311 1.00 89.53 C -ATOM 3185 CD LYS A 220 72.500 105.906 52.404 1.00 97.97 C -ATOM 3186 CE LYS A 220 73.330 107.126 51.981 1.00101.32 C -ATOM 3187 NZ LYS A 220 74.325 106.794 50.930 1.00 99.75 N -ATOM 3188 H LYS A 220 74.284 105.880 57.208 1.00 97.90 H -ATOM 3189 HA LYS A 220 73.554 103.561 55.556 1.00101.06 H -ATOM 3190 HB2 LYS A 220 72.648 105.877 55.140 1.00105.98 H -ATOM 3191 HB3 LYS A 220 74.265 106.351 54.605 1.00105.98 H -ATOM 3192 HG2 LYS A 220 74.182 104.614 52.824 1.00107.43 H -ATOM 3193 HG3 LYS A 220 72.634 104.044 53.444 1.00107.43 H -ATOM 3194 HD2 LYS A 220 72.157 105.377 51.516 1.00117.57 H -ATOM 3195 HD3 LYS A 220 71.617 106.259 52.936 1.00117.57 H -ATOM 3196 HE2 LYS A 220 72.645 107.884 51.602 1.00121.59 H -ATOM 3197 HE3 LYS A 220 73.822 107.545 52.857 1.00121.59 H -ATOM 3198 HZ1 LYS A 220 74.853 107.611 50.666 1.00119.70 H -ATOM 3199 HZ2 LYS A 220 74.981 106.088 51.227 1.00119.70 H -ATOM 3200 HZ3 LYS A 220 73.870 106.442 50.103 1.00119.70 H -ATOM 3201 N VAL A 221 75.723 102.949 54.481 1.00 80.60 N -ATOM 3202 CA VAL A 221 76.985 102.362 54.012 1.00 80.62 C -ATOM 3203 C VAL A 221 76.822 101.935 52.552 1.00 81.14 C -ATOM 3204 O VAL A 221 75.787 101.381 52.187 1.00 78.45 O -ATOM 3205 CB VAL A 221 77.397 101.177 54.912 1.00 78.64 C -ATOM 3206 CG1 VAL A 221 78.751 100.595 54.495 1.00 83.06 C -ATOM 3207 CG2 VAL A 221 77.490 101.571 56.394 1.00 81.25 C -ATOM 3208 H VAL A 221 74.876 102.453 54.252 1.00 96.72 H -ATOM 3209 HA VAL A 221 77.773 103.113 54.058 1.00 96.74 H -ATOM 3210 HB VAL A 221 76.648 100.391 54.825 1.00 94.37 H -ATOM 3211 HG11 VAL A 221 79.037 99.798 55.177 1.00 99.67 H -ATOM 3212 HG12 VAL A 221 78.691 100.174 53.494 1.00 99.67 H -ATOM 3213 HG13 VAL A 221 79.516 101.368 54.518 1.00 99.67 H -ATOM 3214 HG21 VAL A 221 77.843 100.725 56.982 1.00 97.50 H -ATOM 3215 HG22 VAL A 221 78.182 102.402 56.518 1.00 97.50 H -ATOM 3216 HG23 VAL A 221 76.510 101.855 56.774 1.00 97.50 H -ATOM 3217 N ASP A 222 77.824 102.183 51.704 1.00 78.98 N -ATOM 3218 CA ASP A 222 77.708 102.000 50.251 1.00 80.09 C -ATOM 3219 C ASP A 222 79.014 101.546 49.575 1.00 75.33 C -ATOM 3220 O ASP A 222 80.102 101.915 50.020 1.00 69.80 O -ATOM 3221 CB ASP A 222 77.229 103.296 49.577 1.00 83.88 C -ATOM 3222 CG ASP A 222 76.102 104.028 50.311 1.00 89.72 C -ATOM 3223 OD1 ASP A 222 76.401 104.918 51.139 1.00 89.19 O -ATOM 3224 OD2 ASP A 222 74.919 103.807 49.977 1.00 92.52 O -ATOM 3225 H ASP A 222 78.671 102.607 52.052 1.00 94.78 H -ATOM 3226 HA ASP A 222 76.962 101.226 50.076 1.00 96.11 H -ATOM 3227 HB2 ASP A 222 78.074 103.973 49.490 1.00100.66 H -ATOM 3228 HB3 ASP A 222 76.907 103.060 48.566 1.00100.66 H -ATOM 3229 N LYS A 223 78.913 100.796 48.467 1.00 73.07 N -ATOM 3230 CA LYS A 223 80.056 100.368 47.625 1.00 73.46 C -ATOM 3231 C LYS A 223 79.656 100.248 46.146 1.00 77.04 C -ATOM 3232 O LYS A 223 78.610 99.682 45.850 1.00 76.22 O -ATOM 3233 CB LYS A 223 80.597 99.006 48.103 1.00 73.63 C -ATOM 3234 CG LYS A 223 81.209 98.929 49.511 1.00 72.26 C -ATOM 3235 CD LYS A 223 82.573 99.610 49.634 1.00 58.21 C -ATOM 3236 CE LYS A 223 83.107 99.327 51.038 1.00 56.18 C -ATOM 3237 NZ LYS A 223 84.466 99.877 51.230 1.00 53.37 N -ATOM 3238 H LYS A 223 77.982 100.553 48.164 1.00 87.68 H -ATOM 3239 HA LYS A 223 80.852 101.109 47.694 1.00 88.15 H -ATOM 3240 HB2 LYS A 223 79.779 98.288 48.064 1.00 88.36 H -ATOM 3241 HB3 LYS A 223 81.355 98.672 47.397 1.00 88.36 H -ATOM 3242 HG2 LYS A 223 80.517 99.340 50.245 1.00 86.72 H -ATOM 3243 HG3 LYS A 223 81.339 97.876 49.755 1.00 86.72 H -ATOM 3244 HD2 LYS A 223 83.253 99.194 48.893 1.00 69.85 H -ATOM 3245 HD3 LYS A 223 82.473 100.682 49.479 1.00 69.85 H -ATOM 3246 HE2 LYS A 223 82.423 99.760 51.766 1.00 67.41 H -ATOM 3247 HE3 LYS A 223 83.121 98.250 51.197 1.00 67.41 H -ATOM 3248 HZ1 LYS A 223 84.809 99.680 52.157 1.00 64.04 H -ATOM 3249 HZ2 LYS A 223 85.117 99.482 50.568 1.00 64.04 H -ATOM 3250 HZ3 LYS A 223 84.472 100.878 51.108 1.00 64.04 H -ATOM 3251 N ARG A 224 80.464 100.740 45.204 1.00 72.39 N -ATOM 3252 CA ARG A 224 80.159 100.760 43.754 1.00 73.43 C -ATOM 3253 C ARG A 224 80.575 99.500 42.984 1.00 74.84 C -ATOM 3254 O ARG A 224 81.437 98.748 43.430 1.00 72.87 O -ATOM 3255 CB ARG A 224 80.797 102.009 43.128 1.00 88.00 C -ATOM 3256 CG ARG A 224 79.916 103.236 43.367 1.00 93.18 C -ATOM 3257 CD ARG A 224 80.498 104.470 42.677 1.00100.29 C -ATOM 3258 NE ARG A 224 79.467 105.511 42.519 1.00108.56 N -ATOM 3259 CZ ARG A 224 78.692 105.710 41.471 1.00116.25 C -ATOM 3260 NH1 ARG A 224 77.805 106.655 41.499 1.00119.80 N -ATOM 3261 NH2 ARG A 224 78.773 104.993 40.388 1.00119.10 N -ATOM 3262 H ARG A 224 81.338 101.142 45.507 1.00 86.86 H -ATOM 3263 HA ARG A 224 79.080 100.831 43.621 1.00 88.12 H -ATOM 3264 HB2 ARG A 224 81.793 102.174 43.537 1.00105.60 H -ATOM 3265 HB3 ARG A 224 80.891 101.869 42.052 1.00105.60 H -ATOM 3266 HG2 ARG A 224 78.931 103.036 42.948 1.00111.82 H -ATOM 3267 HG3 ARG A 224 79.815 103.428 44.434 1.00111.82 H -ATOM 3268 HD2 ARG A 224 81.322 104.854 43.277 1.00120.34 H -ATOM 3269 HD3 ARG A 224 80.901 104.192 41.704 1.00120.34 H -ATOM 3270 HE ARG A 224 79.338 106.147 43.291 1.00130.27 H -ATOM 3271 HH11 ARG A 224 77.724 107.241 42.315 1.00143.76 H -ATOM 3272 HH12 ARG A 224 77.239 106.844 40.688 1.00143.76 H -ATOM 3273 HH21 ARG A 224 79.488 104.284 40.328 1.00142.92 H -ATOM 3274 HH22 ARG A 224 78.222 105.230 39.579 1.00142.92 H -ATOM 3275 N VAL A 225 79.986 99.307 41.800 1.00 75.61 N -ATOM 3276 CA VAL A 225 80.276 98.220 40.844 1.00 71.32 C -ATOM 3277 C VAL A 225 80.632 98.792 39.466 1.00 73.38 C -ATOM 3278 O VAL A 225 80.058 99.787 39.031 1.00 76.30 O -ATOM 3279 CB VAL A 225 79.088 97.243 40.766 1.00 73.53 C -ATOM 3280 CG1 VAL A 225 79.247 96.176 39.680 1.00 81.05 C -ATOM 3281 CG2 VAL A 225 78.914 96.512 42.101 1.00 89.96 C -ATOM 3282 H VAL A 225 79.275 99.965 41.517 1.00 90.73 H -ATOM 3283 HA VAL A 225 81.142 97.657 41.194 1.00 85.58 H -ATOM 3284 HB VAL A 225 78.178 97.802 40.555 1.00 88.24 H -ATOM 3285 HG11 VAL A 225 78.421 95.468 39.733 1.00 97.26 H -ATOM 3286 HG12 VAL A 225 79.228 96.634 38.693 1.00 97.26 H -ATOM 3287 HG13 VAL A 225 80.183 95.639 39.816 1.00 97.26 H -ATOM 3288 HG21 VAL A 225 78.083 95.811 42.035 1.00107.95 H -ATOM 3289 HG22 VAL A 225 79.818 95.962 42.350 1.00107.95 H -ATOM 3290 HG23 VAL A 225 78.694 97.222 42.895 1.00107.95 H -ATOM 3291 N GLU A 226 81.586 98.163 38.774 1.00 77.99 N -ATOM 3292 CA GLU A 226 82.212 98.634 37.524 1.00 87.05 C -ATOM 3293 C GLU A 226 82.490 97.464 36.554 1.00 81.78 C -ATOM 3294 O GLU A 226 82.639 96.329 37.015 1.00 85.29 O -ATOM 3295 CB GLU A 226 83.518 99.372 37.871 1.00 92.04 C -ATOM 3296 CG GLU A 226 83.243 100.675 38.640 1.00100.02 C -ATOM 3297 CD GLU A 226 84.424 101.656 38.653 1.00116.66 C -ATOM 3298 OE1 GLU A 226 85.569 101.261 38.363 1.00118.83 O -ATOM 3299 OE2 GLU A 226 84.209 102.845 38.974 1.00118.74 O -ATOM 3300 H GLU A 226 81.965 97.311 39.161 1.00 93.59 H -ATOM 3301 HA GLU A 226 81.541 99.330 37.021 1.00104.46 H -ATOM 3302 HB2 GLU A 226 84.161 98.725 38.466 1.00110.44 H -ATOM 3303 HB3 GLU A 226 84.044 99.612 36.948 1.00110.44 H -ATOM 3304 HG2 GLU A 226 82.394 101.173 38.175 1.00120.02 H -ATOM 3305 HG3 GLU A 226 82.971 100.432 39.666 1.00120.02 H -ATOM 3306 N PRO A 227 82.553 97.694 35.226 1.00 76.04 N -ATOM 3307 CA PRO A 227 82.712 96.628 34.229 1.00 72.18 C -ATOM 3308 C PRO A 227 84.042 95.871 34.356 1.00 80.33 C -ATOM 3309 O PRO A 227 85.101 96.523 34.433 1.00 81.26 O -ATOM 3310 CB PRO A 227 82.573 97.311 32.864 1.00 69.83 C -ATOM 3311 CG PRO A 227 82.976 98.756 33.136 1.00 76.90 C -ATOM 3312 CD PRO A 227 82.507 98.994 34.568 1.00 77.75 C -ATOM 3313 OXT PRO A 227 84.021 94.622 34.337 1.00 81.23 O -ATOM 3314 HA PRO A 227 81.904 95.906 34.343 1.00 86.62 H -ATOM 3315 HB2 PRO A 227 83.212 96.857 32.108 1.00 83.79 H -ATOM 3316 HB3 PRO A 227 81.534 97.275 32.539 1.00 83.79 H -ATOM 3317 HG2 PRO A 227 84.060 98.850 33.086 1.00 92.27 H -ATOM 3318 HG3 PRO A 227 82.501 99.445 32.439 1.00 92.27 H -ATOM 3319 HD2 PRO A 227 83.169 99.719 35.040 1.00 93.30 H -ATOM 3320 HD3 PRO A 227 81.490 99.381 34.568 1.00 93.30 H -TER 3321 PRO A 227 -ATOM 3322 N GLN B 1 85.006 50.409 74.446 1.00125.18 N -ATOM 3323 CA GLN B 1 83.693 50.235 73.782 1.00110.77 C -ATOM 3324 C GLN B 1 83.216 51.561 73.176 1.00101.01 C -ATOM 3325 O GLN B 1 82.972 52.528 73.893 1.00 87.56 O -ATOM 3326 CB GLN B 1 82.639 49.633 74.748 1.00108.69 C -ATOM 3327 CG GLN B 1 81.262 49.414 74.094 1.00 91.88 C -ATOM 3328 CD GLN B 1 80.223 48.796 75.031 1.00 96.63 C -ATOM 3329 OE1 GLN B 1 79.502 49.476 75.744 1.00 83.64 O -ATOM 3330 NE2 GLN B 1 80.059 47.493 74.998 1.00102.10 N -ATOM 3331 H1 GLN B 1 85.336 49.527 74.806 1.00150.21 H -ATOM 3332 H2 GLN B 1 85.690 50.762 73.796 1.00150.21 H -ATOM 3333 H3 GLN B 1 84.925 51.059 75.212 1.00150.21 H -ATOM 3334 HA GLN B 1 83.821 49.531 72.961 1.00132.93 H -ATOM 3335 HB2 GLN B 1 83.003 48.671 75.106 1.00130.42 H -ATOM 3336 HB3 GLN B 1 82.517 50.288 75.608 1.00130.42 H -ATOM 3337 HG2 GLN B 1 80.864 50.365 73.746 1.00110.25 H -ATOM 3338 HG3 GLN B 1 81.392 48.756 73.237 1.00110.25 H -ATOM 3339 HE21 GLN B 1 79.457 47.065 75.685 1.00122.52 H -ATOM 3340 HE22 GLN B 1 80.728 46.919 74.506 1.00122.52 H -ATOM 3341 N SER B 2 83.007 51.608 71.860 1.00 88.33 N -ATOM 3342 CA SER B 2 82.416 52.754 71.153 1.00 80.52 C -ATOM 3343 C SER B 2 81.670 52.268 69.910 1.00 76.89 C -ATOM 3344 O SER B 2 82.295 51.814 68.954 1.00 76.86 O -ATOM 3345 CB SER B 2 83.515 53.750 70.790 1.00 82.21 C -ATOM 3346 OG SER B 2 82.931 54.845 70.124 1.00 81.89 O -ATOM 3347 H SER B 2 83.270 50.812 71.299 1.00106.00 H -ATOM 3348 HA SER B 2 81.709 53.264 71.807 1.00 96.62 H -ATOM 3349 HB2 SER B 2 84.009 54.099 71.696 1.00 98.66 H -ATOM 3350 HB3 SER B 2 84.252 53.273 70.146 1.00 98.66 H -ATOM 3351 HG SER B 2 83.361 54.950 69.302 1.00 98.27 H -ATOM 3352 N VAL B 3 80.333 52.261 69.952 1.00 68.37 N -ATOM 3353 CA VAL B 3 79.544 51.290 69.162 1.00 68.55 C -ATOM 3354 C VAL B 3 78.383 51.849 68.348 1.00 65.74 C -ATOM 3355 O VAL B 3 78.036 51.241 67.338 1.00 66.96 O -ATOM 3356 CB VAL B 3 79.023 50.161 70.065 1.00 73.45 C -ATOM 3357 CG1 VAL B 3 80.194 49.387 70.662 1.00 81.75 C -ATOM 3358 CG2 VAL B 3 78.135 50.668 71.209 1.00 73.38 C -ATOM 3359 H VAL B 3 79.882 52.712 70.734 1.00 82.04 H -ATOM 3360 HA VAL B 3 80.190 50.817 68.424 1.00 82.26 H -ATOM 3361 HB VAL B 3 78.443 49.467 69.456 1.00 88.14 H -ATOM 3362 HG11 VAL B 3 79.836 48.580 71.300 1.00 98.10 H -ATOM 3363 HG12 VAL B 3 80.791 48.955 69.861 1.00 98.10 H -ATOM 3364 HG13 VAL B 3 80.825 50.039 71.263 1.00 98.10 H -ATOM 3365 HG21 VAL B 3 77.695 49.818 71.726 1.00 88.06 H -ATOM 3366 HG22 VAL B 3 78.713 51.244 71.928 1.00 88.06 H -ATOM 3367 HG23 VAL B 3 77.316 51.277 70.829 1.00 88.06 H -ATOM 3368 N LEU B 4 77.755 52.962 68.738 1.00 66.73 N -ATOM 3369 CA LEU B 4 76.712 53.578 67.917 1.00 62.83 C -ATOM 3370 C LEU B 4 77.323 54.411 66.781 1.00 62.09 C -ATOM 3371 O LEU B 4 78.455 54.869 66.877 1.00 60.25 O -ATOM 3372 CB LEU B 4 75.690 54.304 68.813 1.00 66.52 C -ATOM 3373 CG LEU B 4 74.411 54.785 68.084 1.00 67.29 C -ATOM 3374 CD1 LEU B 4 73.175 54.645 68.966 1.00 74.04 C -ATOM 3375 CD2 LEU B 4 74.453 56.257 67.686 1.00 60.70 C -ATOM 3376 H LEU B 4 78.087 53.466 69.546 1.00 80.08 H -ATOM 3377 HA LEU B 4 76.167 52.772 67.426 1.00 75.39 H -ATOM 3378 HB2 LEU B 4 75.386 53.587 69.576 1.00 79.83 H -ATOM 3379 HB3 LEU B 4 76.157 55.138 69.335 1.00 79.83 H -ATOM 3380 HG LEU B 4 74.257 54.186 67.187 1.00 80.74 H -ATOM 3381 HD11 LEU B 4 72.289 54.982 68.431 1.00 88.85 H -ATOM 3382 HD12 LEU B 4 73.037 53.598 69.227 1.00 88.85 H -ATOM 3383 HD13 LEU B 4 73.291 55.227 69.877 1.00 88.85 H -ATOM 3384 HD21 LEU B 4 73.581 56.469 67.070 1.00 72.84 H -ATOM 3385 HD22 LEU B 4 74.437 56.884 68.576 1.00 72.84 H -ATOM 3386 HD23 LEU B 4 75.357 56.465 67.115 1.00 72.84 H -ATOM 3387 N THR B 5 76.568 54.575 65.698 1.00 65.70 N -ATOM 3388 CA THR B 5 76.847 55.446 64.549 1.00 60.13 C -ATOM 3389 C THR B 5 75.506 55.923 63.975 1.00 53.49 C -ATOM 3390 O THR B 5 74.505 55.226 64.138 1.00 53.86 O -ATOM 3391 CB THR B 5 77.665 54.733 63.454 1.00 63.88 C -ATOM 3392 OG1 THR B 5 77.000 53.574 63.024 1.00 61.37 O -ATOM 3393 CG2 THR B 5 79.073 54.313 63.865 1.00 61.57 C -ATOM 3394 H THR B 5 75.663 54.126 65.690 1.00 78.84 H -ATOM 3395 HA THR B 5 77.410 56.314 64.890 1.00 72.15 H -ATOM 3396 HB THR B 5 77.755 55.412 62.606 1.00 76.65 H -ATOM 3397 HG1 THR B 5 77.060 52.940 63.741 1.00 73.65 H -ATOM 3398 HG21 THR B 5 79.605 53.932 62.995 1.00 73.89 H -ATOM 3399 HG22 THR B 5 79.613 55.174 64.256 1.00 73.89 H -ATOM 3400 HG23 THR B 5 79.039 53.534 64.627 1.00 73.89 H -ATOM 3401 N GLN B 6 75.459 57.085 63.314 1.00 47.92 N -ATOM 3402 CA GLN B 6 74.210 57.704 62.830 1.00 40.46 C -ATOM 3403 C GLN B 6 74.263 57.974 61.309 1.00 37.53 C -ATOM 3404 O GLN B 6 74.436 59.118 60.893 1.00 39.31 O -ATOM 3405 CB GLN B 6 73.906 58.959 63.674 1.00 40.87 C -ATOM 3406 CG GLN B 6 73.688 58.587 65.154 1.00 51.96 C -ATOM 3407 CD GLN B 6 73.425 59.755 66.104 1.00 52.60 C -ATOM 3408 OE1 GLN B 6 73.555 60.921 65.780 1.00 43.75 O -ATOM 3409 NE2 GLN B 6 73.085 59.484 67.346 1.00 40.80 N -ATOM 3410 H GLN B 6 76.315 57.602 63.176 1.00 57.50 H -ATOM 3411 HA GLN B 6 73.378 57.019 62.988 1.00 48.55 H -ATOM 3412 HB2 GLN B 6 74.731 59.664 63.590 1.00 49.04 H -ATOM 3413 HB3 GLN B 6 73.002 59.436 63.297 1.00 49.04 H -ATOM 3414 HG2 GLN B 6 72.847 57.897 65.216 1.00 62.36 H -ATOM 3415 HG3 GLN B 6 74.573 58.073 65.528 1.00 62.36 H -ATOM 3416 HE21 GLN B 6 72.932 60.253 67.981 1.00 48.96 H -ATOM 3417 HE22 GLN B 6 72.960 58.532 67.657 1.00 48.96 H -ATOM 3418 N PRO B 7 74.195 56.928 60.461 1.00 41.15 N -ATOM 3419 CA PRO B 7 74.512 57.014 59.027 1.00 44.66 C -ATOM 3420 C PRO B 7 73.400 57.267 57.968 1.00 45.95 C -ATOM 3421 O PRO B 7 73.765 57.616 56.843 1.00 47.74 O -ATOM 3422 CB PRO B 7 75.131 55.645 58.732 1.00 49.99 C -ATOM 3423 CG PRO B 7 74.307 54.705 59.605 1.00 49.86 C -ATOM 3424 CD PRO B 7 74.174 55.530 60.876 1.00 47.99 C -ATOM 3425 HA PRO B 7 75.280 57.771 58.872 1.00 53.59 H -ATOM 3426 HB2 PRO B 7 75.073 55.367 57.680 1.00 59.99 H -ATOM 3427 HB3 PRO B 7 76.169 55.635 59.064 1.00 59.99 H -ATOM 3428 HG2 PRO B 7 73.330 54.530 59.156 1.00 59.83 H -ATOM 3429 HG3 PRO B 7 74.825 53.764 59.789 1.00 59.83 H -ATOM 3430 HD2 PRO B 7 73.264 55.283 61.420 1.00 57.59 H -ATOM 3431 HD3 PRO B 7 75.046 55.315 61.494 1.00 57.59 H -ATOM 3432 N PRO B 8 72.084 57.069 58.182 1.00 42.76 N -ATOM 3433 CA PRO B 8 71.180 56.704 57.080 1.00 36.96 C -ATOM 3434 C PRO B 8 70.902 57.789 56.030 1.00 33.47 C -ATOM 3435 O PRO B 8 70.732 57.463 54.861 1.00 36.57 O -ATOM 3436 CB PRO B 8 69.897 56.203 57.743 1.00 39.45 C -ATOM 3437 CG PRO B 8 69.928 56.839 59.126 1.00 47.89 C -ATOM 3438 CD PRO B 8 71.406 56.941 59.452 1.00 45.02 C -ATOM 3439 HA PRO B 8 71.621 55.863 56.547 1.00 44.35 H -ATOM 3440 HB2 PRO B 8 69.004 56.490 57.190 1.00 47.34 H -ATOM 3441 HB3 PRO B 8 69.947 55.119 57.838 1.00 47.34 H -ATOM 3442 HG2 PRO B 8 69.492 57.836 59.077 1.00 57.47 H -ATOM 3443 HG3 PRO B 8 69.416 56.232 59.871 1.00 57.47 H -ATOM 3444 HD2 PRO B 8 71.593 57.798 60.096 1.00 54.02 H -ATOM 3445 HD3 PRO B 8 71.721 56.021 59.942 1.00 54.02 H -ATOM 3446 N SER B 9 70.910 59.069 56.405 1.00 37.05 N -ATOM 3447 CA SER B 9 70.994 60.222 55.478 1.00 42.08 C -ATOM 3448 C SER B 9 69.921 60.314 54.369 1.00 37.85 C -ATOM 3449 O SER B 9 70.182 60.800 53.269 1.00 42.61 O -ATOM 3450 CB SER B 9 72.408 60.297 54.888 1.00 52.43 C -ATOM 3451 OG SER B 9 73.393 60.227 55.904 1.00 53.15 O -ATOM 3452 H SER B 9 71.080 59.253 57.382 1.00 44.46 H -ATOM 3453 HA SER B 9 70.859 61.123 56.076 1.00 50.50 H -ATOM 3454 HB2 SER B 9 72.556 59.476 54.188 1.00 62.92 H -ATOM 3455 HB3 SER B 9 72.524 61.237 54.350 1.00 62.92 H -ATOM 3456 HG SER B 9 73.507 59.305 56.140 1.00 63.78 H -ATOM 3457 N ALA B 10 68.718 59.807 54.620 1.00 34.50 N -ATOM 3458 CA ALA B 10 67.699 59.613 53.593 1.00 37.72 C -ATOM 3459 C ALA B 10 66.967 60.894 53.146 1.00 34.13 C -ATOM 3460 O ALA B 10 66.889 61.891 53.860 1.00 33.57 O -ATOM 3461 CB ALA B 10 66.711 58.572 54.124 1.00 42.24 C -ATOM 3462 H ALA B 10 68.548 59.420 55.535 1.00 41.40 H -ATOM 3463 HA ALA B 10 68.179 59.193 52.710 1.00 45.27 H -ATOM 3464 HB1 ALA B 10 65.970 58.343 53.359 1.00 50.69 H -ATOM 3465 HB2 ALA B 10 67.239 57.656 54.382 1.00 50.69 H -ATOM 3466 HB3 ALA B 10 66.206 58.959 55.008 1.00 50.69 H -ATOM 3467 N SER B 11 66.322 60.830 51.982 1.00 36.59 N -ATOM 3468 CA SER B 11 65.253 61.754 51.582 1.00 35.73 C -ATOM 3469 C SER B 11 64.317 61.085 50.576 1.00 35.03 C -ATOM 3470 O SER B 11 64.773 60.316 49.734 1.00 38.26 O -ATOM 3471 CB SER B 11 65.844 63.037 50.997 1.00 32.56 C -ATOM 3472 OG SER B 11 66.685 62.755 49.894 1.00 34.49 O -ATOM 3473 H SER B 11 66.447 60.004 51.419 1.00 43.91 H -ATOM 3474 HA SER B 11 64.668 62.014 52.464 1.00 42.88 H -ATOM 3475 HB2 SER B 11 65.038 63.701 50.688 1.00 39.08 H -ATOM 3476 HB3 SER B 11 66.424 63.548 51.763 1.00 39.08 H -ATOM 3477 HG SER B 11 66.273 62.087 49.348 1.00 41.39 H -ATOM 3478 N GLY B 12 63.027 61.400 50.616 1.00 34.15 N -ATOM 3479 CA GLY B 12 62.004 60.746 49.794 1.00 37.64 C -ATOM 3480 C GLY B 12 60.792 61.641 49.577 1.00 41.63 C -ATOM 3481 O GLY B 12 60.538 62.536 50.375 1.00 44.74 O -ATOM 3482 H GLY B 12 62.713 62.078 51.294 1.00 40.98 H -ATOM 3483 HA2 GLY B 12 62.414 60.473 48.823 1.00 45.17 H -ATOM 3484 HA3 GLY B 12 61.668 59.835 50.287 1.00 45.17 H -ATOM 3485 N ALA B 13 60.057 61.469 48.487 1.00 38.54 N -ATOM 3486 CA ALA B 13 58.880 62.283 48.215 1.00 37.42 C -ATOM 3487 C ALA B 13 57.786 62.093 49.289 1.00 38.37 C -ATOM 3488 O ALA B 13 57.773 61.074 49.984 1.00 41.62 O -ATOM 3489 CB ALA B 13 58.382 61.951 46.807 1.00 43.25 C -ATOM 3490 H ALA B 13 60.250 60.674 47.896 1.00 46.25 H -ATOM 3491 HA ALA B 13 59.191 63.327 48.223 1.00 44.91 H -ATOM 3492 HB1 ALA B 13 57.618 62.661 46.496 1.00 51.90 H -ATOM 3493 HB2 ALA B 13 59.206 62.003 46.098 1.00 51.90 H -ATOM 3494 HB3 ALA B 13 57.947 60.954 46.789 1.00 51.90 H -ATOM 3495 N PRO B 14 56.840 63.040 49.423 1.00 38.89 N -ATOM 3496 CA PRO B 14 55.695 62.917 50.323 1.00 44.00 C -ATOM 3497 C PRO B 14 54.977 61.567 50.216 1.00 45.51 C -ATOM 3498 O PRO B 14 54.829 61.014 49.126 1.00 48.02 O -ATOM 3499 CB PRO B 14 54.754 64.064 49.945 1.00 48.26 C -ATOM 3500 CG PRO B 14 55.680 65.130 49.369 1.00 46.46 C -ATOM 3501 CD PRO B 14 56.808 64.323 48.734 1.00 40.82 C -ATOM 3502 HA PRO B 14 56.042 63.061 51.346 1.00 52.80 H -ATOM 3503 HB2 PRO B 14 54.063 63.740 49.168 1.00 57.91 H -ATOM 3504 HB3 PRO B 14 54.205 64.435 50.809 1.00 57.91 H -ATOM 3505 HG2 PRO B 14 55.170 65.750 48.632 1.00 55.75 H -ATOM 3506 HG3 PRO B 14 56.068 65.752 50.175 1.00 55.75 H -ATOM 3507 HD2 PRO B 14 56.588 64.174 47.678 1.00 48.99 H -ATOM 3508 HD3 PRO B 14 57.750 64.855 48.858 1.00 48.99 H -ATOM 3509 N GLY B 15 54.516 61.030 51.345 1.00 47.61 N -ATOM 3510 CA GLY B 15 53.780 59.765 51.409 1.00 47.34 C -ATOM 3511 C GLY B 15 54.621 58.484 51.277 1.00 48.46 C -ATOM 3512 O GLY B 15 54.106 57.410 51.584 1.00 52.66 O -ATOM 3513 H GLY B 15 54.626 61.548 52.204 1.00 57.14 H -ATOM 3514 HA2 GLY B 15 53.243 59.727 52.356 1.00 56.81 H -ATOM 3515 HA3 GLY B 15 53.039 59.752 50.611 1.00 56.81 H -ATOM 3516 N GLN B 16 55.891 58.551 50.860 1.00 45.40 N -ATOM 3517 CA GLN B 16 56.750 57.367 50.683 1.00 45.30 C -ATOM 3518 C GLN B 16 57.078 56.635 52.002 1.00 51.17 C -ATOM 3519 O GLN B 16 56.823 57.138 53.101 1.00 56.18 O -ATOM 3520 CB GLN B 16 58.050 57.773 49.966 1.00 49.27 C -ATOM 3521 CG GLN B 16 57.833 58.151 48.493 1.00 57.22 C -ATOM 3522 CD GLN B 16 59.133 58.460 47.749 1.00 64.07 C -ATOM 3523 OE1 GLN B 16 60.199 58.650 48.316 1.00 56.79 O -ATOM 3524 NE2 GLN B 16 59.104 58.547 46.440 1.00 71.06 N -ATOM 3525 H GLN B 16 56.273 59.453 50.620 1.00 54.48 H -ATOM 3526 HA GLN B 16 56.226 56.652 50.049 1.00 54.35 H -ATOM 3527 HB2 GLN B 16 58.517 58.600 50.500 1.00 59.13 H -ATOM 3528 HB3 GLN B 16 58.744 56.933 49.982 1.00 59.13 H -ATOM 3529 HG2 GLN B 16 57.344 57.318 47.990 1.00 68.66 H -ATOM 3530 HG3 GLN B 16 57.175 59.017 48.422 1.00 68.66 H -ATOM 3531 HE21 GLN B 16 59.968 58.709 45.946 1.00 85.27 H -ATOM 3532 HE22 GLN B 16 58.248 58.375 45.935 1.00 85.27 H -ATOM 3533 N ARG B 17 57.680 55.441 51.890 1.00 51.89 N -ATOM 3534 CA ARG B 17 58.379 54.753 52.992 1.00 55.97 C -ATOM 3535 C ARG B 17 59.879 55.048 53.012 1.00 43.92 C -ATOM 3536 O ARG B 17 60.490 55.222 51.960 1.00 42.44 O -ATOM 3537 CB ARG B 17 58.203 53.228 52.931 1.00 65.36 C -ATOM 3538 CG ARG B 17 56.745 52.765 52.989 1.00 72.31 C -ATOM 3539 CD ARG B 17 56.637 51.281 53.361 1.00 84.48 C -ATOM 3540 NE ARG B 17 57.298 50.397 52.383 1.00 91.26 N -ATOM 3541 CZ ARG B 17 57.303 49.078 52.411 1.00104.44 C -ATOM 3542 NH1 ARG B 17 57.913 48.401 51.489 1.00103.63 N -ATOM 3543 NH2 ARG B 17 56.706 48.402 53.347 1.00107.19 N -ATOM 3544 H ARG B 17 57.833 55.087 50.958 1.00 62.27 H -ATOM 3545 HA ARG B 17 57.964 55.122 53.930 1.00 67.16 H -ATOM 3546 HB2 ARG B 17 58.663 52.849 52.019 1.00 78.43 H -ATOM 3547 HB3 ARG B 17 58.732 52.795 53.779 1.00 78.43 H -ATOM 3548 HG2 ARG B 17 56.216 53.340 53.746 1.00 86.77 H -ATOM 3549 HG3 ARG B 17 56.264 52.936 52.027 1.00 86.77 H -ATOM 3550 HD2 ARG B 17 57.083 51.134 54.343 1.00101.37 H -ATOM 3551 HD3 ARG B 17 55.581 51.021 53.423 1.00101.37 H -ATOM 3552 HE ARG B 17 57.781 50.830 51.611 1.00109.51 H -ATOM 3553 HH11 ARG B 17 58.385 48.882 50.740 1.00124.36 H -ATOM 3554 HH12 ARG B 17 57.910 47.395 51.518 1.00124.36 H -ATOM 3555 HH21 ARG B 17 56.226 48.897 54.081 1.00128.63 H -ATOM 3556 HH22 ARG B 17 56.728 47.394 53.340 1.00128.63 H -ATOM 3557 N VAL B 18 60.482 55.022 54.199 1.00 38.15 N -ATOM 3558 CA VAL B 18 61.935 55.133 54.394 1.00 31.59 C -ATOM 3559 C VAL B 18 62.387 54.249 55.556 1.00 32.77 C -ATOM 3560 O VAL B 18 61.708 54.175 56.578 1.00 37.88 O -ATOM 3561 CB VAL B 18 62.332 56.599 54.636 1.00 40.38 C -ATOM 3562 CG1 VAL B 18 63.831 56.748 54.890 1.00 45.87 C -ATOM 3563 CG2 VAL B 18 62.011 57.513 53.450 1.00 39.76 C -ATOM 3564 H VAL B 18 59.913 54.825 55.008 1.00 45.78 H -ATOM 3565 HA VAL B 18 62.448 54.790 53.495 1.00 37.91 H -ATOM 3566 HB VAL B 18 61.800 56.968 55.512 1.00 48.46 H -ATOM 3567 HG11 VAL B 18 64.069 57.803 55.024 1.00 55.05 H -ATOM 3568 HG12 VAL B 18 64.125 56.234 55.804 1.00 55.05 H -ATOM 3569 HG13 VAL B 18 64.400 56.353 54.048 1.00 55.05 H -ATOM 3570 HG21 VAL B 18 62.326 58.533 53.668 1.00 47.71 H -ATOM 3571 HG22 VAL B 18 62.524 57.164 52.556 1.00 47.71 H -ATOM 3572 HG23 VAL B 18 60.939 57.534 53.259 1.00 47.71 H -ATOM 3573 N THR B 19 63.561 53.632 55.434 1.00 28.07 N -ATOM 3574 CA THR B 19 64.243 52.886 56.505 1.00 30.06 C -ATOM 3575 C THR B 19 65.445 53.672 57.020 1.00 33.29 C -ATOM 3576 O THR B 19 66.228 54.204 56.235 1.00 32.36 O -ATOM 3577 CB THR B 19 64.676 51.496 56.021 1.00 34.06 C -ATOM 3578 OG1 THR B 19 63.532 50.733 55.704 1.00 42.75 O -ATOM 3579 CG2 THR B 19 65.474 50.690 57.047 1.00 34.33 C -ATOM 3580 H THR B 19 64.061 53.744 54.564 1.00 33.68 H -ATOM 3581 HA THR B 19 63.557 52.743 57.340 1.00 36.07 H -ATOM 3582 HB THR B 19 65.282 51.609 55.122 1.00 40.88 H -ATOM 3583 HG1 THR B 19 63.155 50.413 56.516 1.00 51.30 H -ATOM 3584 HG21 THR B 19 65.628 49.677 56.680 1.00 41.20 H -ATOM 3585 HG22 THR B 19 66.453 51.143 57.197 1.00 41.20 H -ATOM 3586 HG23 THR B 19 64.946 50.656 57.998 1.00 41.20 H -ATOM 3587 N ILE B 20 65.574 53.765 58.343 1.00 34.84 N -ATOM 3588 CA ILE B 20 66.516 54.626 59.065 1.00 30.21 C -ATOM 3589 C ILE B 20 67.186 53.772 60.156 1.00 30.73 C -ATOM 3590 O ILE B 20 66.484 53.102 60.911 1.00 34.18 O -ATOM 3591 CB ILE B 20 65.735 55.821 59.671 1.00 32.42 C -ATOM 3592 CG1 ILE B 20 64.810 56.550 58.663 1.00 32.66 C -ATOM 3593 CG2 ILE B 20 66.712 56.830 60.276 1.00 39.66 C -ATOM 3594 CD1 ILE B 20 63.925 57.646 59.271 1.00 31.74 C -ATOM 3595 H ILE B 20 64.922 53.255 58.922 1.00 41.80 H -ATOM 3596 HA ILE B 20 67.276 55.003 58.381 1.00 36.25 H -ATOM 3597 HB ILE B 20 65.105 55.436 60.472 1.00 38.91 H -ATOM 3598 HG12 ILE B 20 65.412 56.982 57.864 1.00 39.20 H -ATOM 3599 HG13 ILE B 20 64.122 55.832 58.219 1.00 39.20 H -ATOM 3600 HG21 ILE B 20 66.172 57.594 60.834 1.00 47.59 H -ATOM 3601 HG22 ILE B 20 67.393 56.344 60.972 1.00 47.59 H -ATOM 3602 HG23 ILE B 20 67.265 57.325 59.479 1.00 47.59 H -ATOM 3603 HD11 ILE B 20 63.220 57.996 58.520 1.00 38.09 H -ATOM 3604 HD12 ILE B 20 63.368 57.251 60.118 1.00 38.09 H -ATOM 3605 HD13 ILE B 20 64.527 58.493 59.595 1.00 38.09 H -ATOM 3606 N SER B 21 68.516 53.740 60.269 1.00 29.42 N -ATOM 3607 CA SER B 21 69.184 52.755 61.142 1.00 33.78 C -ATOM 3608 C SER B 21 70.557 53.174 61.660 1.00 34.97 C -ATOM 3609 O SER B 21 71.270 53.913 60.995 1.00 38.88 O -ATOM 3610 CB SER B 21 69.272 51.408 60.410 1.00 44.75 C -ATOM 3611 OG SER B 21 69.851 51.535 59.122 1.00 51.52 O -ATOM 3612 H SER B 21 69.091 54.278 59.640 1.00 35.30 H -ATOM 3613 HA SER B 21 68.571 52.605 62.030 1.00 40.53 H -ATOM 3614 HB2 SER B 21 69.843 50.699 61.006 1.00 53.70 H -ATOM 3615 HB3 SER B 21 68.265 51.011 60.293 1.00 53.70 H -ATOM 3616 HG SER B 21 70.786 51.690 59.215 1.00 61.82 H -ATOM 3617 N CYS B 22 70.941 52.635 62.821 1.00 39.51 N -ATOM 3618 CA CYS B 22 72.116 53.007 63.615 1.00 45.08 C -ATOM 3619 C CYS B 22 72.775 51.775 64.270 1.00 51.27 C -ATOM 3620 O CYS B 22 72.094 50.834 64.673 1.00 48.94 O -ATOM 3621 CB CYS B 22 71.650 53.984 64.698 1.00 50.46 C -ATOM 3622 SG CYS B 22 70.890 55.431 63.923 1.00 61.78 S -ATOM 3623 H CYS B 22 70.306 51.993 63.273 1.00 47.41 H -ATOM 3624 HA CYS B 22 72.852 53.504 62.984 1.00 54.10 H -ATOM 3625 HB2 CYS B 22 70.918 53.490 65.336 1.00 60.55 H -ATOM 3626 HB3 CYS B 22 72.491 54.300 65.315 1.00 60.55 H -ATOM 3627 HG CYS B 22 70.115 55.792 64.933 1.00 74.14 H -ATOM 3628 N SER B 23 74.101 51.749 64.413 1.00 53.69 N -ATOM 3629 CA SER B 23 74.800 50.594 65.013 1.00 59.96 C -ATOM 3630 C SER B 23 74.705 50.574 66.544 1.00 59.49 C -ATOM 3631 O SER B 23 74.245 51.534 67.151 1.00 57.73 O -ATOM 3632 CB SER B 23 76.256 50.581 64.546 1.00 66.23 C -ATOM 3633 OG SER B 23 76.931 51.731 65.008 1.00 62.83 O -ATOM 3634 H SER B 23 74.645 52.538 64.097 1.00 64.43 H -ATOM 3635 HA SER B 23 74.345 49.676 64.642 1.00 71.96 H -ATOM 3636 HB2 SER B 23 76.760 49.688 64.913 1.00 79.47 H -ATOM 3637 HB3 SER B 23 76.280 50.566 63.457 1.00 79.47 H -ATOM 3638 HG SER B 23 77.375 51.501 65.826 1.00 75.39 H -ATOM 3639 N GLY B 24 75.168 49.504 67.194 1.00 63.12 N -ATOM 3640 CA GLY B 24 75.349 49.450 68.652 1.00 67.96 C -ATOM 3641 C GLY B 24 75.901 48.112 69.157 1.00 67.33 C -ATOM 3642 O GLY B 24 76.479 47.349 68.390 1.00 66.81 O -ATOM 3643 H GLY B 24 75.467 48.699 66.664 1.00 75.75 H -ATOM 3644 HA2 GLY B 24 76.041 50.233 68.955 1.00 81.55 H -ATOM 3645 HA3 GLY B 24 74.401 49.654 69.149 1.00 81.55 H -ATOM 3646 N SER B 25 75.740 47.816 70.450 1.00 71.81 N -ATOM 3647 CA SER B 25 76.254 46.580 71.072 1.00 74.78 C -ATOM 3648 C SER B 25 75.395 46.055 72.220 1.00 84.13 C -ATOM 3649 O SER B 25 74.648 46.798 72.860 1.00 77.09 O -ATOM 3650 CB SER B 25 77.681 46.780 71.577 1.00 82.73 C -ATOM 3651 OG SER B 25 77.689 47.539 72.785 1.00 82.71 O -ATOM 3652 H SER B 25 75.256 48.467 71.051 1.00 86.18 H -ATOM 3653 HA SER B 25 76.283 45.798 70.314 1.00 89.73 H -ATOM 3654 HB2 SER B 25 78.127 45.804 71.764 1.00 99.28 H -ATOM 3655 HB3 SER B 25 78.262 47.272 70.798 1.00 99.28 H -ATOM 3656 HG SER B 25 78.491 47.332 73.268 1.00 99.25 H -ATOM 3657 N ASN B 26 75.541 44.761 72.503 1.00 80.44 N -ATOM 3658 CA ASN B 26 74.662 43.982 73.376 1.00 81.62 C -ATOM 3659 C ASN B 26 74.794 44.288 74.882 1.00 82.43 C -ATOM 3660 O ASN B 26 73.875 43.981 75.638 1.00 77.39 O -ATOM 3661 CB ASN B 26 74.874 42.498 73.040 1.00 84.64 C -ATOM 3662 CG ASN B 26 74.642 42.214 71.562 1.00 81.66 C -ATOM 3663 OD1 ASN B 26 73.592 42.492 71.006 1.00 80.44 O -ATOM 3664 ND2 ASN B 26 75.626 41.702 70.862 1.00 79.54 N -ATOM 3665 H ASN B 26 76.219 44.241 71.966 1.00 96.52 H -ATOM 3666 HA ASN B 26 73.634 44.230 73.115 1.00 97.94 H -ATOM 3667 HB2 ASN B 26 75.885 42.203 73.319 1.00101.57 H -ATOM 3668 HB3 ASN B 26 74.178 41.889 73.616 1.00101.57 H -ATOM 3669 HD21 ASN B 26 75.460 41.485 69.891 1.00 95.45 H -ATOM 3670 HD22 ASN B 26 76.485 41.428 71.315 1.00 95.45 H -ATOM 3671 N SER B 27 75.853 44.979 75.326 1.00 83.23 N -ATOM 3672 CA SER B 27 75.892 45.601 76.668 1.00 77.99 C -ATOM 3673 C SER B 27 74.787 46.644 76.842 1.00 66.56 C -ATOM 3674 O SER B 27 74.362 46.946 77.954 1.00 65.69 O -ATOM 3675 CB SER B 27 77.208 46.357 76.908 1.00 85.27 C -ATOM 3676 OG SER B 27 78.346 45.602 76.546 1.00 91.55 O -ATOM 3677 H SER B 27 76.625 45.143 74.697 1.00 99.87 H -ATOM 3678 HA SER B 27 75.772 44.835 77.433 1.00 93.59 H -ATOM 3679 HB2 SER B 27 77.204 47.270 76.313 1.00102.32 H -ATOM 3680 HB3 SER B 27 77.274 46.640 77.958 1.00102.32 H -ATOM 3681 HG SER B 27 78.436 44.879 77.165 1.00109.86 H -ATOM 3682 N ASN B 28 74.358 47.222 75.723 1.00 63.00 N -ATOM 3683 CA ASN B 28 73.555 48.422 75.673 1.00 64.71 C -ATOM 3684 C ASN B 28 72.182 48.118 75.081 1.00 63.16 C -ATOM 3685 O ASN B 28 71.190 48.162 75.799 1.00 61.62 O -ATOM 3686 CB ASN B 28 74.360 49.494 74.921 1.00 66.30 C -ATOM 3687 CG ASN B 28 75.717 49.699 75.565 1.00 68.68 C -ATOM 3688 OD1 ASN B 28 75.824 49.992 76.743 1.00 70.90 O -ATOM 3689 ND2 ASN B 28 76.789 49.491 74.839 1.00 71.46 N -ATOM 3690 H ASN B 28 74.738 46.889 74.849 1.00 75.60 H -ATOM 3691 HA ASN B 28 73.380 48.790 76.684 1.00 77.65 H -ATOM 3692 HB2 ASN B 28 74.491 49.212 73.877 1.00 79.56 H -ATOM 3693 HB3 ASN B 28 73.824 50.442 74.948 1.00 79.56 H -ATOM 3694 HD21 ASN B 28 77.682 49.587 75.298 1.00 85.75 H -ATOM 3695 HD22 ASN B 28 76.719 49.180 73.882 1.00 85.75 H -ATOM 3696 N ILE B 29 72.102 47.746 73.805 1.00 62.05 N -ATOM 3697 CA ILE B 29 70.828 47.673 73.073 1.00 67.33 C -ATOM 3698 C ILE B 29 69.826 46.727 73.741 1.00 69.15 C -ATOM 3699 O ILE B 29 68.648 47.064 73.853 1.00 67.40 O -ATOM 3700 CB ILE B 29 71.089 47.332 71.588 1.00 79.03 C -ATOM 3701 CG1 ILE B 29 71.666 48.592 70.909 1.00 73.41 C -ATOM 3702 CG2 ILE B 29 69.819 46.838 70.869 1.00 74.46 C -ATOM 3703 CD1 ILE B 29 71.922 48.450 69.406 1.00 71.82 C -ATOM 3704 H ILE B 29 72.962 47.631 73.288 1.00 74.46 H -ATOM 3705 HA ILE B 29 70.360 48.657 73.111 1.00 80.80 H -ATOM 3706 HB ILE B 29 71.825 46.533 71.531 1.00 94.84 H -ATOM 3707 HG12 ILE B 29 70.973 49.418 71.048 1.00 88.09 H -ATOM 3708 HG13 ILE B 29 72.606 48.862 71.387 1.00 88.09 H -ATOM 3709 HG21 ILE B 29 70.042 46.559 69.841 1.00 89.35 H -ATOM 3710 HG22 ILE B 29 69.433 45.938 71.341 1.00 89.35 H -ATOM 3711 HG23 ILE B 29 69.055 47.612 70.879 1.00 89.35 H -ATOM 3712 HD11 ILE B 29 72.308 49.389 69.015 1.00 86.18 H -ATOM 3713 HD12 ILE B 29 72.629 47.646 69.213 1.00 86.18 H -ATOM 3714 HD13 ILE B 29 70.983 48.260 68.889 1.00 86.18 H -ATOM 3715 N GLY B 30 70.273 45.587 74.269 1.00 72.44 N -ATOM 3716 CA GLY B 30 69.381 44.641 74.952 1.00 73.08 C -ATOM 3717 C GLY B 30 68.649 45.243 76.155 1.00 66.91 C -ATOM 3718 O GLY B 30 67.570 44.785 76.521 1.00 69.31 O -ATOM 3719 H GLY B 30 71.247 45.348 74.158 1.00 86.93 H -ATOM 3720 HA2 GLY B 30 68.643 44.264 74.245 1.00 87.70 H -ATOM 3721 HA3 GLY B 30 69.973 43.800 75.310 1.00 87.70 H -ATOM 3722 N THR B 31 69.200 46.309 76.738 1.00 64.36 N -ATOM 3723 CA THR B 31 68.645 47.005 77.904 1.00 68.00 C -ATOM 3724 C THR B 31 67.540 48.022 77.579 1.00 66.09 C -ATOM 3725 O THR B 31 66.923 48.529 78.517 1.00 58.06 O -ATOM 3726 CB THR B 31 69.746 47.668 78.751 1.00 65.24 C -ATOM 3727 OG1 THR B 31 70.252 48.833 78.169 1.00 64.58 O -ATOM 3728 CG2 THR B 31 70.938 46.750 79.025 1.00 64.88 C -ATOM 3729 H THR B 31 70.044 46.686 76.333 1.00 77.23 H -ATOM 3730 HA THR B 31 68.186 46.250 78.541 1.00 81.61 H -ATOM 3731 HB THR B 31 69.299 47.960 79.701 1.00 78.29 H -ATOM 3732 HG1 THR B 31 70.582 48.612 77.296 1.00 77.50 H -ATOM 3733 HG21 THR B 31 71.607 47.227 79.739 1.00 77.86 H -ATOM 3734 HG22 THR B 31 70.587 45.812 79.451 1.00 77.86 H -ATOM 3735 HG23 THR B 31 71.490 46.544 78.109 1.00 77.86 H -ATOM 3736 N TYR B 32 67.219 48.294 76.306 1.00 64.80 N -ATOM 3737 CA TYR B 32 66.221 49.306 75.921 1.00 59.22 C -ATOM 3738 C TYR B 32 65.186 48.781 74.908 1.00 64.96 C -ATOM 3739 O TYR B 32 65.441 47.851 74.142 1.00 64.12 O -ATOM 3740 CB TYR B 32 66.915 50.571 75.375 1.00 50.51 C -ATOM 3741 CG TYR B 32 68.128 51.046 76.149 1.00 45.70 C -ATOM 3742 CD1 TYR B 32 68.037 51.304 77.527 1.00 45.48 C -ATOM 3743 CD2 TYR B 32 69.363 51.193 75.493 1.00 56.35 C -ATOM 3744 CE1 TYR B 32 69.190 51.647 78.257 1.00 42.70 C -ATOM 3745 CE2 TYR B 32 70.512 51.556 76.217 1.00 64.61 C -ATOM 3746 CZ TYR B 32 70.436 51.753 77.606 1.00 54.67 C -ATOM 3747 OH TYR B 32 71.563 52.031 78.312 1.00 51.38 O -ATOM 3748 H TYR B 32 67.720 47.829 75.564 1.00 77.77 H -ATOM 3749 HA TYR B 32 65.661 49.607 76.806 1.00 71.06 H -ATOM 3750 HB2 TYR B 32 67.219 50.369 74.349 1.00 60.61 H -ATOM 3751 HB3 TYR B 32 66.192 51.385 75.344 1.00 60.61 H -ATOM 3752 HD1 TYR B 32 67.090 51.200 78.034 1.00 54.58 H -ATOM 3753 HD2 TYR B 32 69.438 51.008 74.433 1.00 67.62 H -ATOM 3754 HE1 TYR B 32 69.126 51.805 79.323 1.00 51.24 H -ATOM 3755 HE2 TYR B 32 71.462 51.658 75.715 1.00 77.54 H -ATOM 3756 HH TYR B 32 71.379 52.115 79.249 1.00 61.66 H -ATOM 3757 N PHE B 33 64.027 49.435 74.874 1.00 62.27 N -ATOM 3758 CA PHE B 33 63.041 49.376 73.795 1.00 54.69 C -ATOM 3759 C PHE B 33 62.769 50.804 73.296 1.00 53.20 C -ATOM 3760 O PHE B 33 62.950 51.777 74.022 1.00 52.64 O -ATOM 3761 CB PHE B 33 61.793 48.623 74.253 1.00 54.08 C -ATOM 3762 CG PHE B 33 62.034 47.141 74.488 1.00 59.88 C -ATOM 3763 CD1 PHE B 33 62.523 46.682 75.724 1.00 62.38 C -ATOM 3764 CD2 PHE B 33 61.767 46.209 73.467 1.00 65.42 C -ATOM 3765 CE1 PHE B 33 62.737 45.306 75.934 1.00 66.71 C -ATOM 3766 CE2 PHE B 33 61.960 44.831 73.682 1.00 69.67 C -ATOM 3767 CZ PHE B 33 62.452 44.379 74.917 1.00 71.42 C -ATOM 3768 H PHE B 33 63.901 50.185 75.539 1.00 74.73 H -ATOM 3769 HA PHE B 33 63.464 48.824 72.956 1.00 65.63 H -ATOM 3770 HB2 PHE B 33 61.417 49.075 75.170 1.00 64.90 H -ATOM 3771 HB3 PHE B 33 61.019 48.733 73.495 1.00 64.90 H -ATOM 3772 HD1 PHE B 33 62.731 47.383 76.518 1.00 74.86 H -ATOM 3773 HD2 PHE B 33 61.392 46.550 72.514 1.00 78.51 H -ATOM 3774 HE1 PHE B 33 63.107 44.960 76.887 1.00 80.05 H -ATOM 3775 HE2 PHE B 33 61.728 44.122 72.902 1.00 83.60 H -ATOM 3776 HZ PHE B 33 62.597 43.324 75.090 1.00 85.70 H -ATOM 3777 N VAL B 34 62.429 50.938 72.021 1.00 51.60 N -ATOM 3778 CA VAL B 34 62.703 52.145 71.212 1.00 57.33 C -ATOM 3779 C VAL B 34 62.158 53.481 71.755 1.00 48.16 C -ATOM 3780 O VAL B 34 60.974 53.581 72.073 1.00 50.26 O -ATOM 3781 CB VAL B 34 62.201 51.920 69.768 1.00 65.50 C -ATOM 3782 CG1 VAL B 34 62.681 53.016 68.812 1.00 59.62 C -ATOM 3783 CG2 VAL B 34 62.699 50.587 69.190 1.00 59.99 C -ATOM 3784 H VAL B 34 62.247 50.090 71.505 1.00 61.92 H -ATOM 3785 HA VAL B 34 63.787 52.242 71.155 1.00 68.79 H -ATOM 3786 HB VAL B 34 61.111 51.912 69.763 1.00 78.60 H -ATOM 3787 HG11 VAL B 34 62.300 52.831 67.808 1.00 71.54 H -ATOM 3788 HG12 VAL B 34 62.321 53.994 69.127 1.00 71.54 H -ATOM 3789 HG13 VAL B 34 63.769 53.030 68.777 1.00 71.54 H -ATOM 3790 HG21 VAL B 34 62.473 50.536 68.127 1.00 71.99 H -ATOM 3791 HG22 VAL B 34 63.776 50.503 69.315 1.00 71.99 H -ATOM 3792 HG23 VAL B 34 62.205 49.744 69.669 1.00 71.99 H -ATOM 3793 N TYR B 35 63.003 54.527 71.739 1.00 44.73 N -ATOM 3794 CA TYR B 35 62.617 55.948 71.774 1.00 39.90 C -ATOM 3795 C TYR B 35 63.670 56.840 71.079 1.00 39.09 C -ATOM 3796 O TYR B 35 64.847 56.781 71.431 1.00 32.66 O -ATOM 3797 CB TYR B 35 62.401 56.406 73.223 1.00 39.46 C -ATOM 3798 CG TYR B 35 61.756 57.774 73.379 1.00 42.01 C -ATOM 3799 CD1 TYR B 35 62.431 58.942 72.976 1.00 40.33 C -ATOM 3800 CD2 TYR B 35 60.481 57.892 73.961 1.00 46.54 C -ATOM 3801 CE1 TYR B 35 61.819 60.199 73.100 1.00 36.15 C -ATOM 3802 CE2 TYR B 35 59.882 59.152 74.128 1.00 44.71 C -ATOM 3803 CZ TYR B 35 60.557 60.306 73.698 1.00 39.84 C -ATOM 3804 OH TYR B 35 60.034 61.528 73.922 1.00 37.47 O -ATOM 3805 H TYR B 35 63.973 54.336 71.537 1.00 53.68 H -ATOM 3806 HA TYR B 35 61.668 56.059 71.248 1.00 47.88 H -ATOM 3807 HB2 TYR B 35 61.774 55.672 73.727 1.00 47.35 H -ATOM 3808 HB3 TYR B 35 63.361 56.415 73.739 1.00 47.35 H -ATOM 3809 HD1 TYR B 35 63.439 58.895 72.592 1.00 48.39 H -ATOM 3810 HD2 TYR B 35 59.955 57.006 74.284 1.00 55.85 H -ATOM 3811 HE1 TYR B 35 62.338 61.093 72.789 1.00 43.38 H -ATOM 3812 HE2 TYR B 35 58.908 59.237 74.585 1.00 53.66 H -ATOM 3813 HH TYR B 35 59.533 61.541 74.740 1.00 44.96 H -ATOM 3814 N TRP B 36 63.242 57.701 70.142 1.00 42.95 N -ATOM 3815 CA TRP B 36 64.045 58.624 69.303 1.00 37.55 C -ATOM 3816 C TRP B 36 63.456 60.070 69.274 1.00 37.41 C -ATOM 3817 O TRP B 36 62.322 60.287 69.701 1.00 40.10 O -ATOM 3818 CB TRP B 36 64.107 58.084 67.860 1.00 38.35 C -ATOM 3819 CG TRP B 36 64.934 56.879 67.507 1.00 38.71 C -ATOM 3820 CD1 TRP B 36 65.583 56.027 68.331 1.00 46.16 C -ATOM 3821 CD2 TRP B 36 65.259 56.411 66.164 1.00 30.01 C -ATOM 3822 NE1 TRP B 36 66.215 55.042 67.601 1.00 39.50 N -ATOM 3823 CE2 TRP B 36 66.059 55.236 66.256 1.00 29.41 C -ATOM 3824 CE3 TRP B 36 65.002 56.906 64.873 1.00 28.20 C -ATOM 3825 CZ2 TRP B 36 66.566 54.571 65.137 1.00 32.15 C -ATOM 3826 CZ3 TRP B 36 65.525 56.262 63.741 1.00 29.95 C -ATOM 3827 CH2 TRP B 36 66.304 55.100 63.866 1.00 34.29 C -ATOM 3828 H TRP B 36 62.244 57.751 70.001 1.00 51.53 H -ATOM 3829 HA TRP B 36 65.060 58.697 69.692 1.00 45.07 H -ATOM 3830 HB2 TRP B 36 63.089 57.881 67.528 1.00 46.02 H -ATOM 3831 HB3 TRP B 36 64.487 58.882 67.223 1.00 46.02 H -ATOM 3832 HD1 TRP B 36 65.615 56.089 69.409 1.00 55.39 H -ATOM 3833 HE1 TRP B 36 66.739 54.289 68.022 1.00 47.40 H -ATOM 3834 HE3 TRP B 36 64.407 57.799 64.759 1.00 33.84 H -ATOM 3835 HZ2 TRP B 36 67.179 53.690 65.256 1.00 38.58 H -ATOM 3836 HZ3 TRP B 36 65.317 56.664 62.761 1.00 35.94 H -ATOM 3837 HH2 TRP B 36 66.698 54.615 62.985 1.00 41.15 H -ATOM 3838 N TYR B 37 64.190 61.058 68.729 1.00 32.61 N -ATOM 3839 CA TYR B 37 63.794 62.481 68.652 1.00 28.44 C -ATOM 3840 C TYR B 37 63.655 63.096 67.246 1.00 36.54 C -ATOM 3841 O TYR B 37 64.520 62.881 66.397 1.00 36.73 O -ATOM 3842 CB TYR B 37 64.877 63.314 69.300 1.00 22.77 C -ATOM 3843 CG TYR B 37 65.127 63.038 70.749 1.00 27.34 C -ATOM 3844 CD1 TYR B 37 64.098 63.244 71.683 1.00 29.15 C -ATOM 3845 CD2 TYR B 37 66.434 62.758 71.177 1.00 31.07 C -ATOM 3846 CE1 TYR B 37 64.410 63.297 73.057 1.00 0.00 C -ATOM 3847 CE2 TYR B 37 66.747 62.827 72.543 1.00 38.52 C -ATOM 3848 CZ TYR B 37 65.753 63.168 73.471 1.00 38.18 C -ATOM 3849 OH TYR B 37 66.136 63.499 74.723 1.00 29.92 O -ATOM 3850 H TYR B 37 65.120 60.831 68.410 1.00 39.13 H -ATOM 3851 HA TYR B 37 62.858 62.632 69.190 1.00 34.13 H -ATOM 3852 HB2 TYR B 37 65.801 63.177 68.740 1.00 27.33 H -ATOM 3853 HB3 TYR B 37 64.606 64.366 69.216 1.00 27.33 H -ATOM 3854 HD1 TYR B 37 63.092 63.447 71.350 1.00 34.98 H -ATOM 3855 HD2 TYR B 37 67.220 62.576 70.459 1.00 37.28 H -ATOM 3856 HE1 TYR B 37 63.633 63.504 73.777 1.00 0.00 H -ATOM 3857 HE2 TYR B 37 67.758 62.679 72.890 1.00 46.22 H -ATOM 3858 HH TYR B 37 65.504 63.249 75.399 1.00 35.90 H -ATOM 3859 N GLN B 38 62.656 63.976 67.056 1.00 29.47 N -ATOM 3860 CA GLN B 38 62.378 64.732 65.819 1.00 24.22 C -ATOM 3861 C GLN B 38 62.312 66.235 66.094 1.00 22.99 C -ATOM 3862 O GLN B 38 61.821 66.640 67.142 1.00 25.42 O -ATOM 3863 CB GLN B 38 61.069 64.211 65.208 1.00 25.56 C -ATOM 3864 CG GLN B 38 60.530 64.946 63.968 1.00 29.77 C -ATOM 3865 CD GLN B 38 59.128 64.463 63.582 1.00 35.47 C -ATOM 3866 OE1 GLN B 38 58.131 64.812 64.192 1.00 35.96 O -ATOM 3867 NE2 GLN B 38 58.997 63.648 62.566 1.00 37.29 N -ATOM 3868 H GLN B 38 62.046 64.159 67.839 1.00 35.36 H -ATOM 3869 HA GLN B 38 63.180 64.557 65.103 1.00 29.07 H -ATOM 3870 HB2 GLN B 38 61.239 63.172 64.925 1.00 30.67 H -ATOM 3871 HB3 GLN B 38 60.300 64.238 65.979 1.00 30.67 H -ATOM 3872 HG2 GLN B 38 60.463 66.015 64.163 1.00 35.72 H -ATOM 3873 HG3 GLN B 38 61.214 64.793 63.134 1.00 35.72 H -ATOM 3874 HE21 GLN B 38 58.079 63.477 62.183 1.00 44.75 H -ATOM 3875 HE22 GLN B 38 59.795 63.426 61.990 1.00 44.75 H -ATOM 3876 N GLN B 39 62.793 67.056 65.157 1.00 27.61 N -ATOM 3877 CA GLN B 39 62.952 68.514 65.296 1.00 29.75 C -ATOM 3878 C GLN B 39 62.601 69.266 63.989 1.00 31.91 C -ATOM 3879 O GLN B 39 63.418 69.301 63.069 1.00 33.38 O -ATOM 3880 CB GLN B 39 64.418 68.767 65.729 1.00 26.41 C -ATOM 3881 CG GLN B 39 64.791 70.247 65.941 1.00 25.02 C -ATOM 3882 CD GLN B 39 66.229 70.452 66.411 1.00 20.99 C -ATOM 3883 OE1 GLN B 39 66.514 71.175 67.352 1.00 23.64 O -ATOM 3884 NE2 GLN B 39 67.190 69.820 65.786 1.00 21.62 N -ATOM 3885 H GLN B 39 63.221 66.633 64.347 1.00 33.13 H -ATOM 3886 HA GLN B 39 62.293 68.881 66.083 1.00 35.70 H -ATOM 3887 HB2 GLN B 39 64.599 68.237 66.663 1.00 31.70 H -ATOM 3888 HB3 GLN B 39 65.078 68.341 64.974 1.00 31.70 H -ATOM 3889 HG2 GLN B 39 64.669 70.787 65.003 1.00 30.02 H -ATOM 3890 HG3 GLN B 39 64.117 70.680 66.679 1.00 30.02 H -ATOM 3891 HE21 GLN B 39 68.136 69.925 66.120 1.00 25.94 H -ATOM 3892 HE22 GLN B 39 66.987 69.247 64.983 1.00 25.94 H -ATOM 3893 N LEU B 40 61.415 69.884 63.886 1.00 32.83 N -ATOM 3894 CA LEU B 40 61.070 70.783 62.763 1.00 36.83 C -ATOM 3895 C LEU B 40 61.993 72.019 62.757 1.00 38.62 C -ATOM 3896 O LEU B 40 62.408 72.463 63.832 1.00 39.05 O -ATOM 3897 CB LEU B 40 59.603 71.274 62.876 1.00 42.60 C -ATOM 3898 CG LEU B 40 58.543 70.582 61.993 1.00 51.72 C -ATOM 3899 CD1 LEU B 40 57.154 71.097 62.378 1.00 60.53 C -ATOM 3900 CD2 LEU B 40 58.718 70.889 60.504 1.00 50.16 C -ATOM 3901 H LEU B 40 60.776 69.831 64.665 1.00 39.40 H -ATOM 3902 HA LEU B 40 61.202 70.237 61.829 1.00 44.19 H -ATOM 3903 HB2 LEU B 40 59.291 71.186 63.916 1.00 51.13 H -ATOM 3904 HB3 LEU B 40 59.563 72.335 62.635 1.00 51.13 H -ATOM 3905 HG LEU B 40 58.581 69.504 62.149 1.00 62.06 H -ATOM 3906 HD11 LEU B 40 56.395 70.632 61.750 1.00 72.64 H -ATOM 3907 HD12 LEU B 40 56.944 70.850 63.418 1.00 72.64 H -ATOM 3908 HD13 LEU B 40 57.106 72.177 62.252 1.00 72.64 H -ATOM 3909 HD21 LEU B 40 57.909 70.442 59.927 1.00 60.19 H -ATOM 3910 HD22 LEU B 40 58.708 71.965 60.340 1.00 60.19 H -ATOM 3911 HD23 LEU B 40 59.655 70.466 60.145 1.00 60.19 H -ATOM 3912 N PRO B 41 62.246 72.658 61.602 1.00 38.26 N -ATOM 3913 CA PRO B 41 62.920 73.952 61.553 1.00 41.94 C -ATOM 3914 C PRO B 41 62.214 75.002 62.421 1.00 40.39 C -ATOM 3915 O PRO B 41 60.988 75.091 62.426 1.00 39.10 O -ATOM 3916 CB PRO B 41 62.936 74.350 60.071 1.00 45.64 C -ATOM 3917 CG PRO B 41 62.870 73.008 59.347 1.00 45.11 C -ATOM 3918 CD PRO B 41 61.951 72.203 60.257 1.00 39.39 C -ATOM 3919 HA PRO B 41 63.946 73.820 61.897 1.00 50.33 H -ATOM 3920 HB2 PRO B 41 62.050 74.933 59.823 1.00 54.76 H -ATOM 3921 HB3 PRO B 41 63.839 74.902 59.814 1.00 54.76 H -ATOM 3922 HG2 PRO B 41 62.461 73.106 58.342 1.00 54.13 H -ATOM 3923 HG3 PRO B 41 63.859 72.552 59.321 1.00 54.13 H -ATOM 3924 HD2 PRO B 41 60.916 72.439 60.014 1.00 47.27 H -ATOM 3925 HD3 PRO B 41 62.146 71.139 60.133 1.00 47.27 H -ATOM 3926 N GLY B 42 62.973 75.803 63.167 1.00 38.51 N -ATOM 3927 CA GLY B 42 62.414 76.842 64.036 1.00 32.22 C -ATOM 3928 C GLY B 42 61.682 76.320 65.275 1.00 34.04 C -ATOM 3929 O GLY B 42 60.755 76.979 65.740 1.00 39.45 O -ATOM 3930 H GLY B 42 63.976 75.706 63.119 1.00 46.22 H -ATOM 3931 HA2 GLY B 42 63.230 77.477 64.380 1.00 38.66 H -ATOM 3932 HA3 GLY B 42 61.726 77.462 63.462 1.00 38.66 H -ATOM 3933 N THR B 43 62.059 75.152 65.810 1.00 31.28 N -ATOM 3934 CA THR B 43 61.392 74.520 66.969 1.00 32.42 C -ATOM 3935 C THR B 43 62.353 73.935 67.994 1.00 28.49 C -ATOM 3936 O THR B 43 63.527 73.725 67.705 1.00 31.17 O -ATOM 3937 CB THR B 43 60.428 73.403 66.549 1.00 40.05 C -ATOM 3938 OG1 THR B 43 61.118 72.253 66.125 1.00 37.97 O -ATOM 3939 CG2 THR B 43 59.446 73.827 65.461 1.00 48.27 C -ATOM 3940 H THR B 43 62.848 74.673 65.400 1.00 37.54 H -ATOM 3941 HA THR B 43 60.803 75.274 67.491 1.00 38.90 H -ATOM 3942 HB THR B 43 59.844 73.124 67.425 1.00 48.06 H -ATOM 3943 HG1 THR B 43 61.604 72.470 65.328 1.00 45.56 H -ATOM 3944 HG21 THR B 43 58.684 73.059 65.333 1.00 57.93 H -ATOM 3945 HG22 THR B 43 58.955 74.755 65.751 1.00 57.93 H -ATOM 3946 HG23 THR B 43 59.967 73.972 64.517 1.00 57.93 H -ATOM 3947 N ALA B 44 61.845 73.641 69.192 1.00 28.92 N -ATOM 3948 CA ALA B 44 62.508 72.769 70.165 1.00 31.01 C -ATOM 3949 C ALA B 44 62.260 71.265 69.872 1.00 27.84 C -ATOM 3950 O ALA B 44 61.168 70.936 69.404 1.00 31.03 O -ATOM 3951 CB ALA B 44 62.002 73.135 71.560 1.00 35.70 C -ATOM 3952 H ALA B 44 60.881 73.872 69.376 1.00 34.70 H -ATOM 3953 HA ALA B 44 63.577 72.982 70.141 1.00 37.22 H -ATOM 3954 HB1 ALA B 44 62.519 72.535 72.308 1.00 42.83 H -ATOM 3955 HB2 ALA B 44 62.205 74.188 71.749 1.00 42.83 H -ATOM 3956 HB3 ALA B 44 60.930 72.954 71.633 1.00 42.83 H -ATOM 3957 N PRO B 45 63.206 70.346 70.169 1.00 19.44 N -ATOM 3958 CA PRO B 45 63.076 68.906 69.910 1.00 19.23 C -ATOM 3959 C PRO B 45 61.863 68.205 70.540 1.00 20.58 C -ATOM 3960 O PRO B 45 61.346 68.643 71.566 1.00 22.53 O -ATOM 3961 CB PRO B 45 64.387 68.295 70.395 1.00 14.62 C -ATOM 3962 CG PRO B 45 65.371 69.400 70.067 1.00 17.02 C -ATOM 3963 CD PRO B 45 64.594 70.640 70.479 1.00 21.51 C -ATOM 3964 HA PRO B 45 63.016 68.772 68.831 1.00 23.07 H -ATOM 3965 HB2 PRO B 45 64.358 68.132 71.471 1.00 17.54 H -ATOM 3966 HB3 PRO B 45 64.626 67.372 69.870 1.00 17.54 H -ATOM 3967 HG2 PRO B 45 66.307 69.300 70.616 1.00 20.42 H -ATOM 3968 HG3 PRO B 45 65.556 69.406 68.995 1.00 20.42 H -ATOM 3969 HD2 PRO B 45 64.700 70.809 71.547 1.00 25.81 H -ATOM 3970 HD3 PRO B 45 64.968 71.492 69.916 1.00 25.81 H -ATOM 3971 N LYS B 46 61.418 67.096 69.930 1.00 20.63 N -ATOM 3972 CA LYS B 46 60.125 66.459 70.210 1.00 20.12 C -ATOM 3973 C LYS B 46 60.160 64.932 70.250 1.00 26.90 C -ATOM 3974 O LYS B 46 61.051 64.296 69.688 1.00 27.62 O -ATOM 3975 CB LYS B 46 59.104 66.906 69.155 1.00 27.26 C -ATOM 3976 CG LYS B 46 59.010 68.430 69.028 1.00 33.47 C -ATOM 3977 CD LYS B 46 57.814 68.847 68.171 1.00 43.12 C -ATOM 3978 CE LYS B 46 57.793 70.374 68.062 1.00 49.26 C -ATOM 3979 NZ LYS B 46 56.597 70.838 67.319 1.00 51.48 N -ATOM 3980 H LYS B 46 61.879 66.807 69.080 1.00 24.75 H -ATOM 3981 HA LYS B 46 59.774 66.793 71.185 1.00 24.15 H -ATOM 3982 HB2 LYS B 46 59.371 66.487 68.185 1.00 32.71 H -ATOM 3983 HB3 LYS B 46 58.122 66.522 69.427 1.00 32.71 H -ATOM 3984 HG2 LYS B 46 58.907 68.869 70.020 1.00 40.16 H -ATOM 3985 HG3 LYS B 46 59.918 68.803 68.557 1.00 40.16 H -ATOM 3986 HD2 LYS B 46 57.902 68.403 67.181 1.00 51.74 H -ATOM 3987 HD3 LYS B 46 56.896 68.498 68.639 1.00 51.74 H -ATOM 3988 HE2 LYS B 46 57.793 70.790 69.068 1.00 59.12 H -ATOM 3989 HE3 LYS B 46 58.706 70.703 67.567 1.00 59.12 H -ATOM 3990 HZ1 LYS B 46 56.572 71.844 67.249 1.00 61.78 H -ATOM 3991 HZ2 LYS B 46 56.563 70.450 66.389 1.00 61.78 H -ATOM 3992 HZ3 LYS B 46 55.753 70.556 67.793 1.00 61.78 H -ATOM 3993 N VAL B 47 59.126 64.373 70.883 1.00 32.68 N -ATOM 3994 CA VAL B 47 58.797 62.940 71.036 1.00 36.84 C -ATOM 3995 C VAL B 47 58.572 62.236 69.699 1.00 40.24 C -ATOM 3996 O VAL B 47 57.882 62.774 68.834 1.00 41.15 O -ATOM 3997 CB VAL B 47 57.471 62.773 71.823 1.00 35.83 C -ATOM 3998 CG1 VAL B 47 57.123 61.306 72.123 1.00 40.40 C -ATOM 3999 CG2 VAL B 47 57.433 63.562 73.136 1.00 33.75 C -ATOM 4000 H VAL B 47 58.460 65.021 71.278 1.00 39.22 H -ATOM 4001 HA VAL B 47 59.605 62.445 71.573 1.00 44.21 H -ATOM 4002 HB VAL B 47 56.662 63.169 71.210 1.00 43.00 H -ATOM 4003 HG11 VAL B 47 56.208 61.256 72.712 1.00 48.48 H -ATOM 4004 HG12 VAL B 47 56.958 60.744 71.205 1.00 48.48 H -ATOM 4005 HG13 VAL B 47 57.920 60.828 72.690 1.00 48.48 H -ATOM 4006 HG21 VAL B 47 56.494 63.367 73.651 1.00 40.50 H -ATOM 4007 HG22 VAL B 47 58.260 63.275 73.782 1.00 40.50 H -ATOM 4008 HG23 VAL B 47 57.486 64.632 72.940 1.00 40.50 H -ATOM 4009 N LEU B 48 59.029 60.986 69.574 1.00 38.75 N -ATOM 4010 CA LEU B 48 58.608 60.106 68.485 1.00 42.25 C -ATOM 4011 C LEU B 48 57.799 58.892 68.899 1.00 47.63 C -ATOM 4012 O LEU B 48 56.747 58.656 68.315 1.00 60.35 O -ATOM 4013 CB LEU B 48 59.820 59.644 67.674 1.00 43.94 C -ATOM 4014 CG LEU B 48 60.351 60.745 66.756 1.00 46.68 C -ATOM 4015 CD1 LEU B 48 61.614 60.249 66.069 1.00 43.52 C -ATOM 4016 CD2 LEU B 48 59.313 61.085 65.680 1.00 47.93 C -ATOM 4017 H LEU B 48 59.652 60.625 70.282 1.00 46.50 H -ATOM 4018 HA LEU B 48 57.932 60.646 67.822 1.00 50.69 H -ATOM 4019 HB2 LEU B 48 60.602 59.285 68.341 1.00 52.73 H -ATOM 4020 HB3 LEU B 48 59.528 58.799 67.051 1.00 52.73 H -ATOM 4021 HG LEU B 48 60.595 61.639 67.329 1.00 56.02 H -ATOM 4022 HD11 LEU B 48 62.002 61.025 65.410 1.00 52.22 H -ATOM 4023 HD12 LEU B 48 62.375 60.028 66.815 1.00 52.22 H -ATOM 4024 HD13 LEU B 48 61.405 59.353 65.488 1.00 52.22 H -ATOM 4025 HD21 LEU B 48 59.771 61.602 64.840 1.00 57.52 H -ATOM 4026 HD22 LEU B 48 58.862 60.175 65.294 1.00 57.52 H -ATOM 4027 HD23 LEU B 48 58.544 61.734 66.091 1.00 57.52 H -ATOM 4028 N ILE B 49 58.323 58.042 69.777 1.00 46.97 N -ATOM 4029 CA ILE B 49 57.867 56.648 69.835 1.00 59.92 C -ATOM 4030 C ILE B 49 58.192 55.993 71.171 1.00 55.44 C -ATOM 4031 O ILE B 49 59.143 56.396 71.827 1.00 50.74 O -ATOM 4032 CB ILE B 49 58.487 55.877 68.649 1.00 66.28 C -ATOM 4033 CG1 ILE B 49 57.743 54.562 68.335 1.00 75.12 C -ATOM 4034 CG2 ILE B 49 59.996 55.652 68.845 1.00 53.44 C -ATOM 4035 CD1 ILE B 49 58.119 54.005 66.957 1.00 63.97 C -ATOM 4036 H ILE B 49 59.173 58.281 70.266 1.00 56.36 H -ATOM 4037 HA ILE B 49 56.783 56.652 69.720 1.00 71.90 H -ATOM 4038 HB ILE B 49 58.370 56.504 67.766 1.00 79.53 H -ATOM 4039 HG12 ILE B 49 57.944 53.814 69.101 1.00 90.14 H -ATOM 4040 HG13 ILE B 49 56.673 54.767 68.311 1.00 90.14 H -ATOM 4041 HG21 ILE B 49 60.443 55.276 67.925 1.00 64.13 H -ATOM 4042 HG22 ILE B 49 60.488 56.592 69.093 1.00 64.13 H -ATOM 4043 HG23 ILE B 49 60.168 54.929 69.642 1.00 64.13 H -ATOM 4044 HD11 ILE B 49 57.452 53.190 66.677 1.00 76.76 H -ATOM 4045 HD12 ILE B 49 58.017 54.793 66.213 1.00 76.76 H -ATOM 4046 HD13 ILE B 49 59.143 53.636 66.963 1.00 76.76 H -ATOM 4047 N TYR B 50 57.424 54.985 71.562 1.00 60.75 N -ATOM 4048 CA TYR B 50 57.499 54.346 72.877 1.00 57.50 C -ATOM 4049 C TYR B 50 56.803 52.985 72.840 1.00 59.67 C -ATOM 4050 O TYR B 50 56.239 52.618 71.814 1.00 65.97 O -ATOM 4051 CB TYR B 50 56.832 55.271 73.899 1.00 71.60 C -ATOM 4052 CG TYR B 50 55.422 55.665 73.522 1.00 70.02 C -ATOM 4053 CD1 TYR B 50 55.200 56.778 72.691 1.00 73.35 C -ATOM 4054 CD2 TYR B 50 54.336 54.912 74.003 1.00 61.67 C -ATOM 4055 CE1 TYR B 50 53.894 57.106 72.300 1.00 83.82 C -ATOM 4056 CE2 TYR B 50 53.026 55.241 73.616 1.00 70.08 C -ATOM 4057 CZ TYR B 50 52.806 56.321 72.742 1.00 81.30 C -ATOM 4058 OH TYR B 50 51.538 56.594 72.350 1.00 84.81 O -ATOM 4059 H TYR B 50 56.631 54.743 70.988 1.00 72.90 H -ATOM 4060 HA TYR B 50 58.539 54.190 73.159 1.00 69.01 H -ATOM 4061 HB2 TYR B 50 56.825 54.793 74.878 1.00 85.92 H -ATOM 4062 HB3 TYR B 50 57.429 56.178 73.998 1.00 85.92 H -ATOM 4063 HD1 TYR B 50 56.030 57.377 72.348 1.00 88.02 H -ATOM 4064 HD2 TYR B 50 54.509 54.079 74.667 1.00 74.00 H -ATOM 4065 HE1 TYR B 50 53.734 57.969 71.672 1.00100.58 H -ATOM 4066 HE2 TYR B 50 52.186 54.659 73.966 1.00 84.09 H -ATOM 4067 HH TYR B 50 51.503 56.877 71.436 1.00101.78 H -ATOM 4068 N ARG B 51 56.839 52.204 73.929 1.00 61.08 N -ATOM 4069 CA ARG B 51 56.164 50.882 74.009 1.00 70.63 C -ATOM 4070 C ARG B 51 56.464 50.014 72.787 1.00 71.89 C -ATOM 4071 O ARG B 51 55.579 49.469 72.132 1.00 71.51 O -ATOM 4072 CB ARG B 51 54.655 51.018 74.322 1.00 86.41 C -ATOM 4073 CG ARG B 51 54.424 51.158 75.831 1.00 94.13 C -ATOM 4074 CD ARG B 51 52.951 51.029 76.215 1.00 93.59 C -ATOM 4075 NE ARG B 51 52.815 50.819 77.670 1.00 97.28 N -ATOM 4076 CZ ARG B 51 52.391 51.671 78.582 1.00 94.86 C -ATOM 4077 NH1 ARG B 51 52.325 51.301 79.823 1.00 95.48 N -ATOM 4078 NH2 ARG B 51 52.028 52.886 78.299 1.00 89.72 N -ATOM 4079 H ARG B 51 57.325 52.547 74.744 1.00 73.30 H -ATOM 4080 HA ARG B 51 56.614 50.321 74.828 1.00 84.76 H -ATOM 4081 HB2 ARG B 51 54.232 51.871 73.792 1.00103.69 H -ATOM 4082 HB3 ARG B 51 54.127 50.119 74.003 1.00103.69 H -ATOM 4083 HG2 ARG B 51 54.970 50.361 76.335 1.00112.95 H -ATOM 4084 HG3 ARG B 51 54.810 52.116 76.176 1.00112.95 H -ATOM 4085 HD2 ARG B 51 52.406 51.912 75.881 1.00112.31 H -ATOM 4086 HD3 ARG B 51 52.531 50.162 75.706 1.00112.31 H -ATOM 4087 HE ARG B 51 53.062 49.907 78.021 1.00116.74 H -ATOM 4088 HH11 ARG B 51 52.669 50.388 80.080 1.00114.57 H -ATOM 4089 HH12 ARG B 51 51.950 51.924 80.521 1.00114.57 H -ATOM 4090 HH21 ARG B 51 52.046 53.191 77.338 1.00107.67 H -ATOM 4091 HH22 ARG B 51 51.682 53.493 79.023 1.00107.67 H -ATOM 4092 N ASN B 52 57.748 49.949 72.458 1.00 73.18 N -ATOM 4093 CA ASN B 52 58.311 49.221 71.329 1.00 79.55 C -ATOM 4094 C ASN B 52 57.997 49.849 69.941 1.00 79.12 C -ATOM 4095 O ASN B 52 58.887 49.853 69.092 1.00 65.20 O -ATOM 4096 CB ASN B 52 57.979 47.708 71.427 1.00 84.23 C -ATOM 4097 CG ASN B 52 58.159 47.029 72.790 1.00 79.84 C -ATOM 4098 OD1 ASN B 52 57.848 47.542 73.854 1.00 72.96 O -ATOM 4099 ND2 ASN B 52 58.645 45.814 72.807 1.00 72.67 N -ATOM 4100 H ASN B 52 58.385 50.455 73.056 1.00 87.82 H -ATOM 4101 HA ASN B 52 59.394 49.295 71.432 1.00 95.46 H -ATOM 4102 HB2 ASN B 52 56.948 47.541 71.118 1.00101.07 H -ATOM 4103 HB3 ASN B 52 58.601 47.188 70.700 1.00101.07 H -ATOM 4104 HD21 ASN B 52 58.779 45.367 73.701 1.00 87.21 H -ATOM 4105 HD22 ASN B 52 58.874 45.339 71.946 1.00 87.21 H -ATOM 4106 N ASP B 53 56.807 50.418 69.682 1.00 80.24 N -ATOM 4107 CA ASP B 53 56.449 51.001 68.364 1.00 73.34 C -ATOM 4108 C ASP B 53 55.326 52.072 68.350 1.00 68.84 C -ATOM 4109 O ASP B 53 54.963 52.573 67.289 1.00 77.78 O -ATOM 4110 CB ASP B 53 56.083 49.877 67.373 1.00 82.22 C -ATOM 4111 CG ASP B 53 54.810 49.082 67.718 1.00 87.61 C -ATOM 4112 OD1 ASP B 53 54.163 49.353 68.753 1.00 84.23 O -ATOM 4113 OD2 ASP B 53 54.456 48.172 66.934 1.00 86.61 O -ATOM 4114 H ASP B 53 56.090 50.352 70.388 1.00 96.29 H -ATOM 4115 HA ASP B 53 57.343 51.492 67.981 1.00 88.01 H -ATOM 4116 HB2 ASP B 53 55.965 50.314 66.382 1.00 98.67 H -ATOM 4117 HB3 ASP B 53 56.919 49.182 67.306 1.00 98.67 H -ATOM 4118 N GLN B 54 54.749 52.427 69.491 1.00 75.25 N -ATOM 4119 CA GLN B 54 53.596 53.314 69.610 1.00 70.59 C -ATOM 4120 C GLN B 54 53.981 54.785 69.417 1.00 72.56 C -ATOM 4121 O GLN B 54 54.937 55.250 70.034 1.00 66.52 O -ATOM 4122 CB GLN B 54 52.994 53.137 71.009 1.00 78.87 C -ATOM 4123 CG GLN B 54 52.625 51.693 71.379 1.00 86.79 C -ATOM 4124 CD GLN B 54 51.467 51.157 70.555 1.00 97.91 C -ATOM 4125 OE1 GLN B 54 50.323 51.563 70.714 1.00 96.87 O -ATOM 4126 NE2 GLN B 54 51.694 50.216 69.669 1.00 92.67 N -ATOM 4127 H GLN B 54 55.161 52.095 70.350 1.00 90.30 H -ATOM 4128 HA GLN B 54 52.850 53.042 68.864 1.00 84.71 H -ATOM 4129 HB2 GLN B 54 53.734 53.475 71.735 1.00 94.64 H -ATOM 4130 HB3 GLN B 54 52.113 53.771 71.102 1.00 94.64 H -ATOM 4131 HG2 GLN B 54 53.491 51.040 71.276 1.00104.15 H -ATOM 4132 HG3 GLN B 54 52.322 51.674 72.426 1.00104.15 H -ATOM 4133 HE21 GLN B 54 50.918 49.859 69.133 1.00111.20 H -ATOM 4134 HE22 GLN B 54 52.636 49.907 69.477 1.00111.20 H -ATOM 4135 N ARG B 55 53.217 55.541 68.617 1.00 72.11 N -ATOM 4136 CA ARG B 55 53.376 56.996 68.412 1.00 73.57 C -ATOM 4137 C ARG B 55 52.456 57.852 69.304 1.00 70.89 C -ATOM 4138 O ARG B 55 51.475 57.327 69.827 1.00 79.38 O -ATOM 4139 CB ARG B 55 53.139 57.297 66.932 1.00 75.59 C -ATOM 4140 CG ARG B 55 54.398 56.997 66.107 1.00 72.65 C -ATOM 4141 CD ARG B 55 55.029 58.284 65.578 1.00 69.14 C -ATOM 4142 NE ARG B 55 54.190 58.896 64.528 1.00 70.72 N -ATOM 4143 CZ ARG B 55 54.510 59.909 63.746 1.00 69.11 C -ATOM 4144 NH1 ARG B 55 53.758 60.230 62.740 1.00 66.69 N -ATOM 4145 NH2 ARG B 55 55.581 60.612 63.932 1.00 70.82 N -ATOM 4146 H ARG B 55 52.459 55.086 68.130 1.00 86.53 H -ATOM 4147 HA ARG B 55 54.401 57.264 68.663 1.00 88.28 H -ATOM 4148 HB2 ARG B 55 52.303 56.703 66.565 1.00 90.70 H -ATOM 4149 HB3 ARG B 55 52.855 58.341 66.809 1.00 90.70 H -ATOM 4150 HG2 ARG B 55 55.133 56.464 66.708 1.00 87.18 H -ATOM 4151 HG3 ARG B 55 54.142 56.360 65.262 1.00 87.18 H -ATOM 4152 HD2 ARG B 55 55.175 58.981 66.402 1.00 82.96 H -ATOM 4153 HD3 ARG B 55 56.005 58.028 65.169 1.00 82.96 H -ATOM 4154 HE ARG B 55 53.296 58.457 64.360 1.00 84.87 H -ATOM 4155 HH11 ARG B 55 52.928 59.700 62.525 1.00 80.02 H -ATOM 4156 HH12 ARG B 55 54.110 60.926 62.100 1.00 80.02 H -ATOM 4157 HH21 ARG B 55 56.161 60.431 64.737 1.00 84.98 H -ATOM 4158 HH22 ARG B 55 55.795 61.383 63.318 1.00 84.98 H -ATOM 4159 N PRO B 56 52.771 59.141 69.546 1.00 67.86 N -ATOM 4160 CA PRO B 56 52.092 60.013 70.512 1.00 70.31 C -ATOM 4161 C PRO B 56 50.566 60.126 70.431 1.00 76.87 C -ATOM 4162 O PRO B 56 49.959 59.938 69.381 1.00 79.77 O -ATOM 4163 CB PRO B 56 52.695 61.400 70.301 1.00 71.77 C -ATOM 4164 CG PRO B 56 54.116 61.104 69.857 1.00 68.37 C -ATOM 4165 CD PRO B 56 54.045 59.737 69.194 1.00 63.83 C -ATOM 4166 HA PRO B 56 52.353 59.676 71.515 1.00 84.38 H -ATOM 4167 HB2 PRO B 56 52.165 61.929 69.510 1.00 86.13 H -ATOM 4168 HB3 PRO B 56 52.679 61.991 71.217 1.00 86.13 H -ATOM 4169 HG2 PRO B 56 54.491 61.865 69.175 1.00 82.05 H -ATOM 4170 HG3 PRO B 56 54.747 61.037 70.742 1.00 82.05 H -ATOM 4171 HD2 PRO B 56 54.149 59.836 68.114 1.00 76.60 H -ATOM 4172 HD3 PRO B 56 54.847 59.124 69.603 1.00 76.60 H -ATOM 4173 N SER B 57 49.973 60.574 71.544 1.00 80.90 N -ATOM 4174 CA SER B 57 48.580 61.039 71.689 1.00 89.71 C -ATOM 4175 C SER B 57 48.329 62.333 70.890 1.00 92.17 C -ATOM 4176 O SER B 57 48.081 63.409 71.441 1.00 92.47 O -ATOM 4177 CB SER B 57 48.276 61.211 73.186 1.00 91.02 C -ATOM 4178 OG SER B 57 46.970 61.700 73.402 1.00 94.29 O -ATOM 4179 H SER B 57 50.568 60.700 72.349 1.00 97.08 H -ATOM 4180 HA SER B 57 47.913 60.273 71.296 1.00107.65 H -ATOM 4181 HB2 SER B 57 48.382 60.249 73.684 1.00109.23 H -ATOM 4182 HB3 SER B 57 48.989 61.905 73.624 1.00109.23 H -ATOM 4183 HG SER B 57 46.952 62.593 73.059 1.00113.15 H -ATOM 4184 N GLY B 58 48.473 62.236 69.571 1.00 95.59 N -ATOM 4185 CA GLY B 58 48.526 63.357 68.636 1.00 95.77 C -ATOM 4186 C GLY B 58 49.026 62.994 67.232 1.00 98.55 C -ATOM 4187 O GLY B 58 48.829 63.786 66.313 1.00102.44 O -ATOM 4188 H GLY B 58 48.653 61.309 69.214 1.00114.71 H -ATOM 4189 HA2 GLY B 58 47.531 63.789 68.545 1.00114.92 H -ATOM 4190 HA3 GLY B 58 49.196 64.116 69.036 1.00114.92 H -ATOM 4191 N VAL B 59 49.619 61.808 67.029 1.00 96.41 N -ATOM 4192 CA VAL B 59 50.049 61.310 65.706 1.00 98.47 C -ATOM 4193 C VAL B 59 49.802 59.797 65.546 1.00 95.99 C -ATOM 4194 O VAL B 59 49.902 59.057 66.524 1.00 89.63 O -ATOM 4195 CB VAL B 59 51.531 61.626 65.403 1.00 93.41 C -ATOM 4196 CG1 VAL B 59 51.751 63.063 64.935 1.00 98.37 C -ATOM 4197 CG2 VAL B 59 52.469 61.372 66.580 1.00 85.97 C -ATOM 4198 H VAL B 59 49.749 61.182 67.810 1.00115.69 H -ATOM 4199 HA VAL B 59 49.452 61.826 64.954 1.00118.17 H -ATOM 4200 HB VAL B 59 51.841 60.978 64.584 1.00112.10 H -ATOM 4201 HG11 VAL B 59 52.798 63.206 64.672 1.00118.05 H -ATOM 4202 HG12 VAL B 59 51.131 63.262 64.062 1.00118.05 H -ATOM 4203 HG13 VAL B 59 51.488 63.763 65.726 1.00118.05 H -ATOM 4204 HG21 VAL B 59 53.501 61.347 66.230 1.00103.16 H -ATOM 4205 HG22 VAL B 59 52.373 62.178 67.306 1.00103.16 H -ATOM 4206 HG23 VAL B 59 52.211 60.426 67.052 1.00103.16 H -ATOM 4207 N PRO B 60 49.516 59.291 64.332 1.00 97.91 N -ATOM 4208 CA PRO B 60 49.319 57.859 64.098 1.00 93.03 C -ATOM 4209 C PRO B 60 50.620 57.058 64.147 1.00 82.93 C -ATOM 4210 O PRO B 60 51.720 57.601 64.009 1.00 80.11 O -ATOM 4211 CB PRO B 60 48.677 57.729 62.711 1.00 94.62 C -ATOM 4212 CG PRO B 60 48.211 59.140 62.371 1.00 98.47 C -ATOM 4213 CD PRO B 60 49.193 60.029 63.120 1.00 99.44 C -ATOM 4214 HA PRO B 60 48.629 57.466 64.844 1.00111.64 H -ATOM 4215 HB2 PRO B 60 49.414 57.405 61.976 1.00113.55 H -ATOM 4216 HB3 PRO B 60 47.840 57.032 62.728 1.00113.55 H -ATOM 4217 HG2 PRO B 60 48.231 59.328 61.298 1.00118.16 H -ATOM 4218 HG3 PRO B 60 47.208 59.294 62.767 1.00118.16 H -ATOM 4219 HD2 PRO B 60 50.093 60.170 62.524 1.00119.33 H -ATOM 4220 HD3 PRO B 60 48.711 60.986 63.317 1.00119.33 H -ATOM 4221 N ASP B 61 50.493 55.736 64.203 1.00 80.01 N -ATOM 4222 CA ASP B 61 51.592 54.762 64.182 1.00 78.33 C -ATOM 4223 C ASP B 61 52.248 54.579 62.790 1.00 71.29 C -ATOM 4224 O ASP B 61 52.577 53.468 62.373 1.00 73.63 O -ATOM 4225 CB ASP B 61 51.109 53.443 64.802 1.00 80.12 C -ATOM 4226 CG ASP B 61 50.595 53.599 66.240 1.00 85.86 C -ATOM 4227 OD1 ASP B 61 51.165 54.391 67.020 1.00 79.06 O -ATOM 4228 OD2 ASP B 61 49.626 52.894 66.595 1.00 93.08 O -ATOM 4229 H ASP B 61 49.555 55.367 64.260 1.00 96.01 H -ATOM 4230 HA ASP B 61 52.380 55.144 64.830 1.00 93.99 H -ATOM 4231 HB2 ASP B 61 50.322 53.028 64.173 1.00 96.15 H -ATOM 4232 HB3 ASP B 61 51.936 52.734 64.815 1.00 96.15 H -ATOM 4233 N ARG B 62 52.479 55.684 62.065 1.00 68.28 N -ATOM 4234 CA ARG B 62 53.170 55.732 60.754 1.00 65.87 C -ATOM 4235 C ARG B 62 54.584 55.156 60.774 1.00 59.28 C -ATOM 4236 O ARG B 62 55.175 54.933 59.718 1.00 60.44 O -ATOM 4237 CB ARG B 62 53.233 57.186 60.246 1.00 68.33 C -ATOM 4238 CG ARG B 62 51.852 57.723 59.844 1.00 83.09 C -ATOM 4239 CD ARG B 62 51.904 58.951 58.921 1.00 81.70 C -ATOM 4240 NE ARG B 62 50.553 59.540 58.784 1.00 83.76 N -ATOM 4241 CZ ARG B 62 50.166 60.589 58.081 1.00 81.28 C -ATOM 4242 NH1 ARG B 62 48.954 61.024 58.195 1.00 75.45 N -ATOM 4243 NH2 ARG B 62 50.942 61.244 57.272 1.00 88.79 N -ATOM 4244 H ARG B 62 52.158 56.551 62.471 1.00 81.93 H -ATOM 4245 HA ARG B 62 52.617 55.127 60.037 1.00 79.04 H -ATOM 4246 HB2 ARG B 62 53.674 57.827 61.008 1.00 82.00 H -ATOM 4247 HB3 ARG B 62 53.889 57.228 59.378 1.00 82.00 H -ATOM 4248 HG2 ARG B 62 51.302 56.940 59.326 1.00 99.71 H -ATOM 4249 HG3 ARG B 62 51.307 57.983 60.748 1.00 99.71 H -ATOM 4250 HD2 ARG B 62 52.588 59.688 59.337 1.00 98.04 H -ATOM 4251 HD3 ARG B 62 52.280 58.638 57.948 1.00 98.04 H -ATOM 4252 HE ARG B 62 49.812 59.081 59.290 1.00100.51 H -ATOM 4253 HH11 ARG B 62 48.297 60.551 58.795 1.00 90.54 H -ATOM 4254 HH12 ARG B 62 48.648 61.826 57.666 1.00 90.54 H -ATOM 4255 HH21 ARG B 62 51.798 60.790 56.990 1.00106.55 H -ATOM 4256 HH22 ARG B 62 50.509 61.882 56.622 1.00106.55 H -ATOM 4257 N ILE B 63 55.126 54.963 61.971 1.00 57.65 N -ATOM 4258 CA ILE B 63 56.486 54.536 62.263 1.00 55.58 C -ATOM 4259 C ILE B 63 56.453 53.151 62.911 1.00 46.82 C -ATOM 4260 O ILE B 63 55.593 52.868 63.741 1.00 54.67 O -ATOM 4261 CB ILE B 63 57.176 55.576 63.176 1.00 60.31 C -ATOM 4262 CG1 ILE B 63 57.159 56.982 62.538 1.00 58.87 C -ATOM 4263 CG2 ILE B 63 58.609 55.140 63.480 1.00 51.51 C -ATOM 4264 CD1 ILE B 63 58.073 58.042 63.162 1.00 50.30 C -ATOM 4265 H ILE B 63 54.511 55.093 62.760 1.00 69.18 H -ATOM 4266 HA ILE B 63 57.046 54.466 61.331 1.00 66.70 H -ATOM 4267 HB ILE B 63 56.636 55.629 64.121 1.00 72.38 H -ATOM 4268 HG12 ILE B 63 57.450 56.884 61.492 1.00 70.65 H -ATOM 4269 HG13 ILE B 63 56.140 57.365 62.562 1.00 70.65 H -ATOM 4270 HG21 ILE B 63 59.074 55.865 64.146 1.00 61.81 H -ATOM 4271 HG22 ILE B 63 58.631 54.181 63.996 1.00 61.81 H -ATOM 4272 HG23 ILE B 63 59.179 55.061 62.555 1.00 61.81 H -ATOM 4273 HD11 ILE B 63 57.823 59.019 62.750 1.00 60.36 H -ATOM 4274 HD12 ILE B 63 57.954 58.062 64.245 1.00 60.36 H -ATOM 4275 HD13 ILE B 63 59.114 57.830 62.924 1.00 60.36 H -ATOM 4276 N SER B 64 57.426 52.309 62.581 1.00 41.91 N -ATOM 4277 CA SER B 64 57.768 51.120 63.358 1.00 42.13 C -ATOM 4278 C SER B 64 59.176 51.258 63.930 1.00 37.92 C -ATOM 4279 O SER B 64 60.135 51.405 63.171 1.00 40.11 O -ATOM 4280 CB SER B 64 57.663 49.872 62.479 1.00 48.58 C -ATOM 4281 OG SER B 64 58.515 49.980 61.355 1.00 48.75 O -ATOM 4282 H SER B 64 58.070 52.592 61.856 1.00 50.29 H -ATOM 4283 HA SER B 64 57.070 50.996 64.186 1.00 50.56 H -ATOM 4284 HB2 SER B 64 57.941 48.995 63.062 1.00 58.30 H -ATOM 4285 HB3 SER B 64 56.634 49.754 62.140 1.00 58.30 H -ATOM 4286 HG SER B 64 59.367 50.267 61.675 1.00 58.50 H -ATOM 4287 N GLY B 65 59.325 51.186 65.250 1.00 33.10 N -ATOM 4288 CA GLY B 65 60.638 51.043 65.883 1.00 30.09 C -ATOM 4289 C GLY B 65 61.103 49.593 65.831 1.00 25.62 C -ATOM 4290 O GLY B 65 60.278 48.684 65.814 1.00 30.82 O -ATOM 4291 H GLY B 65 58.510 51.026 65.824 1.00 39.72 H -ATOM 4292 HA2 GLY B 65 61.370 51.670 65.376 1.00 36.11 H -ATOM 4293 HA3 GLY B 65 60.579 51.351 66.926 1.00 36.11 H -ATOM 4294 N SER B 66 62.407 49.348 65.796 1.00 25.27 N -ATOM 4295 CA SER B 66 62.968 47.997 65.744 1.00 24.95 C -ATOM 4296 C SER B 66 64.432 47.956 66.191 1.00 27.74 C -ATOM 4297 O SER B 66 65.089 48.977 66.367 1.00 33.96 O -ATOM 4298 CB SER B 66 62.799 47.431 64.329 1.00 34.21 C -ATOM 4299 OG SER B 66 63.417 48.248 63.351 1.00 34.71 O -ATOM 4300 H SER B 66 63.062 50.112 65.722 1.00 30.32 H -ATOM 4301 HA SER B 66 62.411 47.355 66.426 1.00 29.94 H -ATOM 4302 HB2 SER B 66 63.219 46.427 64.283 1.00 41.06 H -ATOM 4303 HB3 SER B 66 61.736 47.359 64.104 1.00 41.06 H -ATOM 4304 HG SER B 66 63.027 48.015 62.508 1.00 41.65 H -ATOM 4305 N LYS B 67 64.968 46.761 66.418 1.00 27.07 N -ATOM 4306 CA LYS B 67 66.372 46.547 66.797 1.00 38.54 C -ATOM 4307 C LYS B 67 66.818 45.136 66.442 1.00 46.88 C -ATOM 4308 O LYS B 67 65.978 44.252 66.280 1.00 50.89 O -ATOM 4309 CB LYS B 67 66.565 46.820 68.300 1.00 51.20 C -ATOM 4310 CG LYS B 67 65.616 46.004 69.191 1.00 60.61 C -ATOM 4311 CD LYS B 67 65.948 46.153 70.683 1.00 71.84 C -ATOM 4312 CE LYS B 67 64.925 45.358 71.509 1.00 86.26 C -ATOM 4313 NZ LYS B 67 65.288 45.292 72.951 1.00 73.99 N -ATOM 4314 H LYS B 67 64.395 45.940 66.289 1.00 32.48 H -ATOM 4315 HA LYS B 67 67.004 47.230 66.231 1.00 46.25 H -ATOM 4316 HB2 LYS B 67 67.595 46.594 68.571 1.00 61.44 H -ATOM 4317 HB3 LYS B 67 66.400 47.878 68.497 1.00 61.44 H -ATOM 4318 HG2 LYS B 67 64.593 46.336 69.025 1.00 72.73 H -ATOM 4319 HG3 LYS B 67 65.689 44.950 68.930 1.00 72.73 H -ATOM 4320 HD2 LYS B 67 66.949 45.763 70.859 1.00 86.20 H -ATOM 4321 HD3 LYS B 67 65.916 47.205 70.964 1.00 86.20 H -ATOM 4322 HE2 LYS B 67 63.948 45.821 71.385 1.00103.51 H -ATOM 4323 HE3 LYS B 67 64.859 44.352 71.098 1.00103.51 H -ATOM 4324 HZ1 LYS B 67 64.557 44.856 73.484 1.00 88.79 H -ATOM 4325 HZ2 LYS B 67 66.123 44.751 73.082 1.00 88.79 H -ATOM 4326 HZ3 LYS B 67 65.436 46.210 73.329 1.00 88.79 H -ATOM 4327 N SER B 68 68.127 44.912 66.355 1.00 50.23 N -ATOM 4328 CA SER B 68 68.710 43.578 66.165 1.00 55.90 C -ATOM 4329 C SER B 68 70.172 43.548 66.599 1.00 53.50 C -ATOM 4330 O SER B 68 71.021 44.176 65.964 1.00 54.29 O -ATOM 4331 CB SER B 68 68.600 43.149 64.697 1.00 66.13 C -ATOM 4332 OG SER B 68 69.179 41.869 64.521 1.00 64.91 O -ATOM 4333 H SER B 68 68.756 45.685 66.513 1.00 60.27 H -ATOM 4334 HA SER B 68 68.155 42.858 66.766 1.00 67.09 H -ATOM 4335 HB2 SER B 68 67.550 43.109 64.407 1.00 79.35 H -ATOM 4336 HB3 SER B 68 69.112 43.872 64.063 1.00 79.35 H -ATOM 4337 HG SER B 68 69.050 41.607 63.610 1.00 77.89 H -ATOM 4338 N GLY B 69 70.464 42.816 67.674 1.00 56.18 N -ATOM 4339 CA GLY B 69 71.820 42.566 68.156 1.00 60.54 C -ATOM 4340 C GLY B 69 72.662 43.838 68.222 1.00 68.14 C -ATOM 4341 O GLY B 69 72.316 44.802 68.899 1.00 67.37 O -ATOM 4342 H GLY B 69 69.706 42.348 68.151 1.00 67.42 H -ATOM 4343 HA2 GLY B 69 71.777 42.132 69.153 1.00 72.65 H -ATOM 4344 HA3 GLY B 69 72.303 41.846 67.496 1.00 72.65 H -ATOM 4345 N THR B 70 73.732 43.879 67.432 1.00 61.86 N -ATOM 4346 CA THR B 70 74.652 45.020 67.301 1.00 62.30 C -ATOM 4347 C THR B 70 74.086 46.214 66.507 1.00 59.28 C -ATOM 4348 O THR B 70 74.839 46.968 65.894 1.00 61.09 O -ATOM 4349 CB THR B 70 75.994 44.539 66.720 1.00 64.58 C -ATOM 4350 OG1 THR B 70 75.800 43.990 65.435 1.00 66.10 O -ATOM 4351 CG2 THR B 70 76.646 43.457 67.583 1.00 62.01 C -ATOM 4352 H THR B 70 73.923 43.073 66.857 1.00 74.23 H -ATOM 4353 HA THR B 70 74.851 45.393 68.305 1.00 74.75 H -ATOM 4354 HB THR B 70 76.686 45.377 66.649 1.00 77.50 H -ATOM 4355 HG1 THR B 70 75.714 44.721 64.825 1.00 79.31 H -ATOM 4356 HG21 THR B 70 77.629 43.218 67.182 1.00 74.41 H -ATOM 4357 HG22 THR B 70 76.767 43.824 68.600 1.00 74.41 H -ATOM 4358 HG23 THR B 70 76.045 42.551 67.595 1.00 74.41 H -ATOM 4359 N SER B 71 72.765 46.407 66.451 1.00 57.15 N -ATOM 4360 CA SER B 71 72.123 47.503 65.710 1.00 53.06 C -ATOM 4361 C SER B 71 70.726 47.873 66.235 1.00 54.10 C -ATOM 4362 O SER B 71 70.017 47.044 66.807 1.00 54.38 O -ATOM 4363 CB SER B 71 72.037 47.134 64.228 1.00 51.48 C -ATOM 4364 OG SER B 71 71.097 46.098 64.034 1.00 55.84 O -ATOM 4365 H SER B 71 72.165 45.773 66.957 1.00 68.58 H -ATOM 4366 HA SER B 71 72.744 48.394 65.798 1.00 63.67 H -ATOM 4367 HB2 SER B 71 71.727 48.008 63.657 1.00 61.78 H -ATOM 4368 HB3 SER B 71 73.015 46.813 63.868 1.00 61.78 H -ATOM 4369 HG SER B 71 71.230 45.429 64.708 1.00 67.01 H -ATOM 4370 N ALA B 72 70.327 49.120 65.990 1.00 47.68 N -ATOM 4371 CA ALA B 72 69.046 49.734 66.323 1.00 40.03 C -ATOM 4372 C ALA B 72 68.455 50.420 65.086 1.00 30.95 C -ATOM 4373 O ALA B 72 69.189 50.915 64.232 1.00 35.53 O -ATOM 4374 CB ALA B 72 69.277 50.747 67.444 1.00 41.05 C -ATOM 4375 H ALA B 72 70.959 49.716 65.476 1.00 57.22 H -ATOM 4376 HA ALA B 72 68.345 48.977 66.673 1.00 48.04 H -ATOM 4377 HB1 ALA B 72 68.339 51.233 67.702 1.00 49.25 H -ATOM 4378 HB2 ALA B 72 69.666 50.245 68.326 1.00 49.25 H -ATOM 4379 HB3 ALA B 72 69.990 51.501 67.120 1.00 49.25 H -ATOM 4380 N SER B 73 67.137 50.456 64.946 1.00 28.27 N -ATOM 4381 CA SER B 73 66.539 50.810 63.661 1.00 30.46 C -ATOM 4382 C SER B 73 65.092 51.265 63.754 1.00 31.00 C -ATOM 4383 O SER B 73 64.410 51.136 64.767 1.00 34.06 O -ATOM 4384 CB SER B 73 66.667 49.625 62.696 1.00 39.62 C -ATOM 4385 OG SER B 73 66.166 48.429 63.260 1.00 41.86 O -ATOM 4386 H SER B 73 66.533 50.050 65.646 1.00 33.93 H -ATOM 4387 HA SER B 73 67.085 51.650 63.233 1.00 36.56 H -ATOM 4388 HB2 SER B 73 66.137 49.839 61.768 1.00 47.55 H -ATOM 4389 HB3 SER B 73 67.719 49.477 62.454 1.00 47.55 H -ATOM 4390 HG SER B 73 65.218 48.512 63.381 1.00 50.23 H -ATOM 4391 N LEU B 74 64.625 51.847 62.663 1.00 31.10 N -ATOM 4392 CA LEU B 74 63.304 52.413 62.551 1.00 33.32 C -ATOM 4393 C LEU B 74 62.912 52.456 61.081 1.00 36.41 C -ATOM 4394 O LEU B 74 63.761 52.514 60.192 1.00 39.39 O -ATOM 4395 CB LEU B 74 63.393 53.811 63.161 1.00 35.86 C -ATOM 4396 CG LEU B 74 62.059 54.535 63.361 1.00 41.13 C -ATOM 4397 CD1 LEU B 74 61.920 54.948 64.824 1.00 47.28 C -ATOM 4398 CD2 LEU B 74 61.999 55.783 62.484 1.00 40.21 C -ATOM 4399 H LEU B 74 65.249 52.016 61.888 1.00 37.32 H -ATOM 4400 HA LEU B 74 62.589 51.805 63.105 1.00 39.99 H -ATOM 4401 HB2 LEU B 74 63.893 53.733 64.126 1.00 43.03 H -ATOM 4402 HB3 LEU B 74 64.039 54.405 62.516 1.00 43.03 H -ATOM 4403 HG LEU B 74 61.231 53.875 63.107 1.00 49.35 H -ATOM 4404 HD11 LEU B 74 61.025 55.540 64.980 1.00 56.73 H -ATOM 4405 HD12 LEU B 74 61.871 54.064 65.449 1.00 56.73 H -ATOM 4406 HD13 LEU B 74 62.772 55.547 65.127 1.00 56.73 H -ATOM 4407 HD21 LEU B 74 61.077 56.332 62.668 1.00 48.26 H -ATOM 4408 HD22 LEU B 74 62.832 56.443 62.718 1.00 48.26 H -ATOM 4409 HD23 LEU B 74 62.050 55.496 61.436 1.00 48.26 H -ATOM 4410 N ALA B 75 61.623 52.488 60.805 1.00 40.91 N -ATOM 4411 CA ALA B 75 61.124 52.743 59.466 1.00 48.87 C -ATOM 4412 C ALA B 75 59.826 53.524 59.547 1.00 49.39 C -ATOM 4413 O ALA B 75 59.140 53.502 60.569 1.00 50.82 O -ATOM 4414 CB ALA B 75 60.970 51.422 58.705 1.00 59.33 C -ATOM 4415 H ALA B 75 60.958 52.417 61.559 1.00 49.09 H -ATOM 4416 HA ALA B 75 61.838 53.368 58.932 1.00 58.65 H -ATOM 4417 HB1 ALA B 75 60.640 51.617 57.687 1.00 71.20 H -ATOM 4418 HB2 ALA B 75 61.924 50.898 58.672 1.00 71.20 H -ATOM 4419 HB3 ALA B 75 60.236 50.789 59.197 1.00 71.20 H -ATOM 4420 N ILE B 76 59.507 54.235 58.476 1.00 48.12 N -ATOM 4421 CA ILE B 76 58.366 55.142 58.417 1.00 55.30 C -ATOM 4422 C ILE B 76 57.616 54.934 57.107 1.00 48.52 C -ATOM 4423 O ILE B 76 58.177 54.469 56.120 1.00 49.84 O -ATOM 4424 CB ILE B 76 58.794 56.616 58.634 1.00 63.41 C -ATOM 4425 CG1 ILE B 76 59.811 56.762 59.797 1.00 57.43 C -ATOM 4426 CG2 ILE B 76 57.529 57.479 58.832 1.00 63.55 C -ATOM 4427 CD1 ILE B 76 60.256 58.191 60.137 1.00 51.63 C -ATOM 4428 H ILE B 76 60.114 54.185 57.671 1.00 57.75 H -ATOM 4429 HA ILE B 76 57.676 54.873 59.216 1.00 66.36 H -ATOM 4430 HB ILE B 76 59.297 56.956 57.730 1.00 76.09 H -ATOM 4431 HG12 ILE B 76 59.407 56.297 60.696 1.00 68.92 H -ATOM 4432 HG13 ILE B 76 60.721 56.227 59.528 1.00 68.92 H -ATOM 4433 HG21 ILE B 76 57.764 58.454 59.258 1.00 76.26 H -ATOM 4434 HG22 ILE B 76 57.045 57.665 57.874 1.00 76.26 H -ATOM 4435 HG23 ILE B 76 56.806 56.985 59.480 1.00 76.26 H -ATOM 4436 HD11 ILE B 76 61.070 58.151 60.859 1.00 61.96 H -ATOM 4437 HD12 ILE B 76 60.612 58.695 59.240 1.00 61.96 H -ATOM 4438 HD13 ILE B 76 59.442 58.760 60.585 1.00 61.96 H -ATOM 4439 N SER B 77 56.343 55.291 57.106 1.00 48.55 N -ATOM 4440 CA SER B 77 55.405 55.187 55.996 1.00 52.46 C -ATOM 4441 C SER B 77 54.486 56.414 55.991 1.00 60.15 C -ATOM 4442 O SER B 77 54.292 57.034 57.034 1.00 61.11 O -ATOM 4443 CB SER B 77 54.621 53.883 56.174 1.00 54.92 C -ATOM 4444 OG SER B 77 53.904 53.874 57.398 1.00 58.60 O -ATOM 4445 H SER B 77 55.969 55.667 57.965 1.00 58.26 H -ATOM 4446 HA SER B 77 55.945 55.160 55.050 1.00 62.95 H -ATOM 4447 HB2 SER B 77 53.925 53.758 55.346 1.00 65.90 H -ATOM 4448 HB3 SER B 77 55.320 53.047 56.167 1.00 65.90 H -ATOM 4449 HG SER B 77 54.497 54.128 58.108 1.00 70.32 H -ATOM 4450 N GLY B 78 53.933 56.810 54.841 1.00 60.39 N -ATOM 4451 CA GLY B 78 53.039 57.972 54.780 1.00 58.82 C -ATOM 4452 C GLY B 78 53.690 59.282 55.253 1.00 60.99 C -ATOM 4453 O GLY B 78 53.045 60.062 55.949 1.00 63.05 O -ATOM 4454 H GLY B 78 54.119 56.299 53.991 1.00 72.46 H -ATOM 4455 HA2 GLY B 78 52.694 58.106 53.756 1.00 70.59 H -ATOM 4456 HA3 GLY B 78 52.167 57.782 55.404 1.00 70.59 H -ATOM 4457 N LEU B 79 54.972 59.506 54.948 1.00 54.50 N -ATOM 4458 CA LEU B 79 55.750 60.656 55.444 1.00 48.20 C -ATOM 4459 C LEU B 79 55.141 62.022 55.089 1.00 49.19 C -ATOM 4460 O LEU B 79 54.523 62.185 54.035 1.00 55.37 O -ATOM 4461 CB LEU B 79 57.184 60.549 54.910 1.00 50.98 C -ATOM 4462 CG LEU B 79 57.982 59.464 55.642 1.00 54.30 C -ATOM 4463 CD1 LEU B 79 59.186 59.021 54.829 1.00 55.63 C -ATOM 4464 CD2 LEU B 79 58.493 60.018 56.966 1.00 50.41 C -ATOM 4465 H LEU B 79 55.454 58.806 54.404 1.00 65.40 H -ATOM 4466 HA LEU B 79 55.772 60.604 56.532 1.00 57.84 H -ATOM 4467 HB2 LEU B 79 57.145 60.324 53.845 1.00 61.17 H -ATOM 4468 HB3 LEU B 79 57.694 61.505 55.023 1.00 61.17 H -ATOM 4469 HG LEU B 79 57.358 58.590 55.820 1.00 65.17 H -ATOM 4470 HD11 LEU B 79 59.718 58.237 55.366 1.00 66.75 H -ATOM 4471 HD12 LEU B 79 58.851 58.629 53.870 1.00 66.75 H -ATOM 4472 HD13 LEU B 79 59.856 59.862 54.658 1.00 66.75 H -ATOM 4473 HD21 LEU B 79 59.151 59.294 57.446 1.00 60.50 H -ATOM 4474 HD22 LEU B 79 59.060 60.932 56.798 1.00 60.50 H -ATOM 4475 HD23 LEU B 79 57.658 60.236 57.629 1.00 60.50 H -ATOM 4476 N ARG B 80 55.344 63.012 55.963 1.00 45.74 N -ATOM 4477 CA ARG B 80 54.642 64.306 55.951 1.00 50.15 C -ATOM 4478 C ARG B 80 55.592 65.477 56.216 1.00 51.47 C -ATOM 4479 O ARG B 80 56.689 65.301 56.723 1.00 51.98 O -ATOM 4480 CB ARG B 80 53.522 64.206 57.000 1.00 54.43 C -ATOM 4481 CG ARG B 80 52.502 65.352 56.975 1.00 58.60 C -ATOM 4482 CD ARG B 80 51.376 65.140 57.987 1.00 63.29 C -ATOM 4483 NE ARG B 80 51.862 65.216 59.380 1.00 69.39 N -ATOM 4484 CZ ARG B 80 52.164 64.216 60.184 1.00 85.19 C -ATOM 4485 NH1 ARG B 80 52.548 64.452 61.398 1.00 87.77 N -ATOM 4486 NH2 ARG B 80 52.092 62.972 59.816 1.00 89.88 N -ATOM 4487 H ARG B 80 55.860 62.789 56.801 1.00 54.89 H -ATOM 4488 HA ARG B 80 54.191 64.468 54.972 1.00 60.19 H -ATOM 4489 HB2 ARG B 80 52.980 63.278 56.825 1.00 65.31 H -ATOM 4490 HB3 ARG B 80 53.980 64.152 57.987 1.00 65.31 H -ATOM 4491 HG2 ARG B 80 52.981 66.300 57.217 1.00 70.32 H -ATOM 4492 HG3 ARG B 80 52.069 65.418 55.978 1.00 70.32 H -ATOM 4493 HD2 ARG B 80 50.639 65.927 57.836 1.00 75.95 H -ATOM 4494 HD3 ARG B 80 50.877 64.191 57.794 1.00 75.95 H -ATOM 4495 HE ARG B 80 51.897 66.131 59.801 1.00 83.26 H -ATOM 4496 HH11 ARG B 80 52.549 65.401 61.742 1.00105.33 H -ATOM 4497 HH12 ARG B 80 52.768 63.699 62.031 1.00105.33 H -ATOM 4498 HH21 ARG B 80 51.742 62.753 58.897 1.00107.85 H -ATOM 4499 HH22 ARG B 80 52.311 62.242 60.476 1.00107.85 H -ATOM 4500 N SER B 81 55.166 66.695 55.916 1.00 51.94 N -ATOM 4501 CA SER B 81 55.897 67.945 56.180 1.00 52.34 C -ATOM 4502 C SER B 81 56.465 68.085 57.605 1.00 47.03 C -ATOM 4503 O SER B 81 57.602 68.510 57.777 1.00 42.51 O -ATOM 4504 CB SER B 81 54.939 69.103 55.896 1.00 54.98 C -ATOM 4505 OG SER B 81 53.738 68.950 56.637 1.00 55.46 O -ATOM 4506 H SER B 81 54.253 66.785 55.496 1.00 62.32 H -ATOM 4507 HA SER B 81 56.733 68.020 55.485 1.00 62.81 H -ATOM 4508 HB2 SER B 81 55.419 70.045 56.158 1.00 65.98 H -ATOM 4509 HB3 SER B 81 54.705 69.117 54.833 1.00 65.98 H -ATOM 4510 HG SER B 81 53.167 69.691 56.434 1.00 66.55 H -ATOM 4511 N GLU B 82 55.735 67.670 58.639 1.00 47.72 N -ATOM 4512 CA GLU B 82 56.233 67.662 60.025 1.00 45.05 C -ATOM 4513 C GLU B 82 57.374 66.667 60.261 1.00 42.79 C -ATOM 4514 O GLU B 82 58.040 66.701 61.291 1.00 44.27 O -ATOM 4515 CB GLU B 82 55.098 67.331 60.994 1.00 48.75 C -ATOM 4516 CG GLU B 82 54.021 68.417 61.034 1.00 55.87 C -ATOM 4517 CD GLU B 82 53.049 68.165 62.190 1.00 65.36 C -ATOM 4518 OE1 GLU B 82 52.529 67.032 62.288 1.00 65.22 O -ATOM 4519 OE2 GLU B 82 52.787 69.091 62.989 1.00 65.92 O -ATOM 4520 H GLU B 82 54.777 67.408 58.462 1.00 57.26 H -ATOM 4521 HA GLU B 82 56.616 68.652 60.271 1.00 54.06 H -ATOM 4522 HB2 GLU B 82 54.654 66.377 60.712 1.00 58.50 H -ATOM 4523 HB3 GLU B 82 55.513 67.238 61.996 1.00 58.50 H -ATOM 4524 HG2 GLU B 82 54.501 69.388 61.154 1.00 67.05 H -ATOM 4525 HG3 GLU B 82 53.477 68.419 60.090 1.00 67.05 H -ATOM 4526 N ASP B 83 57.615 65.770 59.316 1.00 40.52 N -ATOM 4527 CA ASP B 83 58.761 64.879 59.322 1.00 42.43 C -ATOM 4528 C ASP B 83 59.989 65.483 58.639 1.00 40.58 C -ATOM 4529 O ASP B 83 61.067 64.893 58.699 1.00 38.69 O -ATOM 4530 CB ASP B 83 58.373 63.533 58.711 1.00 53.47 C -ATOM 4531 CG ASP B 83 57.112 62.956 59.350 1.00 57.43 C -ATOM 4532 OD1 ASP B 83 57.014 62.990 60.599 1.00 50.58 O -ATOM 4533 OD2 ASP B 83 56.260 62.435 58.598 1.00 56.63 O -ATOM 4534 H ASP B 83 57.058 65.787 58.474 1.00 48.62 H -ATOM 4535 HA ASP B 83 59.049 64.698 60.357 1.00 50.91 H -ATOM 4536 HB2 ASP B 83 58.246 63.640 57.634 1.00 64.17 H -ATOM 4537 HB3 ASP B 83 59.191 62.828 58.856 1.00 64.17 H -ATOM 4538 N GLU B 84 59.873 66.659 58.025 1.00 37.13 N -ATOM 4539 CA GLU B 84 61.038 67.422 57.603 1.00 34.95 C -ATOM 4540 C GLU B 84 61.858 67.801 58.832 1.00 32.72 C -ATOM 4541 O GLU B 84 61.433 68.643 59.618 1.00 38.24 O -ATOM 4542 CB GLU B 84 60.600 68.696 56.865 1.00 38.84 C -ATOM 4543 CG GLU B 84 61.807 69.447 56.288 1.00 46.60 C -ATOM 4544 CD GLU B 84 62.541 68.607 55.236 1.00 49.73 C -ATOM 4545 OE1 GLU B 84 61.887 67.763 54.593 1.00 42.49 O -ATOM 4546 OE2 GLU B 84 63.763 68.794 55.042 1.00 48.49 O -ATOM 4547 H GLU B 84 58.977 67.125 58.024 1.00 44.56 H -ATOM 4548 HA GLU B 84 61.643 66.798 56.946 1.00 41.94 H -ATOM 4549 HB2 GLU B 84 59.907 68.442 56.064 1.00 46.61 H -ATOM 4550 HB3 GLU B 84 60.079 69.363 57.551 1.00 46.61 H -ATOM 4551 HG2 GLU B 84 61.451 70.367 55.827 1.00 55.92 H -ATOM 4552 HG3 GLU B 84 62.486 69.725 57.093 1.00 55.92 H -ATOM 4553 N ALA B 85 63.011 67.166 59.033 1.00 31.30 N -ATOM 4554 CA ALA B 85 63.729 67.308 60.293 1.00 30.38 C -ATOM 4555 C ALA B 85 65.184 66.820 60.257 1.00 26.96 C -ATOM 4556 O ALA B 85 65.642 66.125 59.353 1.00 28.60 O -ATOM 4557 CB ALA B 85 62.924 66.565 61.373 1.00 36.10 C -ATOM 4558 H ALA B 85 63.344 66.487 58.365 1.00 37.56 H -ATOM 4559 HA ALA B 85 63.760 68.363 60.560 1.00 36.46 H -ATOM 4560 HB1 ALA B 85 63.495 66.497 62.294 1.00 43.32 H -ATOM 4561 HB2 ALA B 85 61.996 67.091 61.585 1.00 43.32 H -ATOM 4562 HB3 ALA B 85 62.674 65.563 61.033 1.00 43.32 H -ATOM 4563 N ASP B 86 65.896 67.154 61.322 1.00 21.86 N -ATOM 4564 CA ASP B 86 67.052 66.402 61.775 1.00 20.68 C -ATOM 4565 C ASP B 86 66.585 65.400 62.842 1.00 22.73 C -ATOM 4566 O ASP B 86 65.790 65.758 63.714 1.00 27.23 O -ATOM 4567 CB ASP B 86 68.080 67.418 62.287 1.00 25.56 C -ATOM 4568 CG ASP B 86 69.498 66.860 62.407 1.00 36.92 C -ATOM 4569 OD1 ASP B 86 69.660 65.631 62.349 1.00 37.50 O -ATOM 4570 OD2 ASP B 86 70.438 67.673 62.528 1.00 42.31 O -ATOM 4571 H ASP B 86 65.457 67.754 62.003 1.00 26.24 H -ATOM 4572 HA ASP B 86 67.486 65.851 60.941 1.00 24.82 H -ATOM 4573 HB2 ASP B 86 68.112 68.254 61.590 1.00 30.67 H -ATOM 4574 HB3 ASP B 86 67.754 67.803 63.251 1.00 30.67 H -ATOM 4575 N TYR B 87 67.019 64.146 62.755 1.00 21.85 N -ATOM 4576 CA TYR B 87 66.589 63.063 63.647 1.00 20.67 C -ATOM 4577 C TYR B 87 67.721 62.548 64.526 1.00 22.31 C -ATOM 4578 O TYR B 87 68.811 62.282 64.029 1.00 26.08 O -ATOM 4579 CB TYR B 87 66.039 61.898 62.835 1.00 19.25 C -ATOM 4580 CG TYR B 87 64.690 62.192 62.237 1.00 22.05 C -ATOM 4581 CD1 TYR B 87 64.609 62.890 61.025 1.00 29.42 C -ATOM 4582 CD2 TYR B 87 63.522 61.776 62.898 1.00 22.46 C -ATOM 4583 CE1 TYR B 87 63.353 63.163 60.459 1.00 30.77 C -ATOM 4584 CE2 TYR B 87 62.263 62.064 62.347 1.00 21.87 C -ATOM 4585 CZ TYR B 87 62.188 62.765 61.131 1.00 25.09 C -ATOM 4586 OH TYR B 87 60.994 63.120 60.631 1.00 29.77 O -ATOM 4587 H TYR B 87 67.699 63.934 62.040 1.00 26.22 H -ATOM 4588 HA TYR B 87 65.793 63.418 64.301 1.00 24.80 H -ATOM 4589 HB2 TYR B 87 66.741 61.646 62.041 1.00 23.09 H -ATOM 4590 HB3 TYR B 87 65.946 61.025 63.480 1.00 23.09 H -ATOM 4591 HD1 TYR B 87 65.511 63.215 60.528 1.00 35.30 H -ATOM 4592 HD2 TYR B 87 63.598 61.238 63.831 1.00 26.95 H -ATOM 4593 HE1 TYR B 87 63.281 63.711 59.531 1.00 36.93 H -ATOM 4594 HE2 TYR B 87 61.358 61.751 62.845 1.00 26.24 H -ATOM 4595 HH TYR B 87 61.097 63.732 59.900 1.00 35.73 H -ATOM 4596 N TYR B 88 67.458 62.332 65.814 1.00 19.47 N -ATOM 4597 CA TYR B 88 68.465 61.830 66.744 1.00 17.22 C -ATOM 4598 C TYR B 88 67.989 60.565 67.454 1.00 21.81 C -ATOM 4599 O TYR B 88 66.976 60.582 68.147 1.00 27.68 O -ATOM 4600 CB TYR B 88 68.831 62.927 67.743 1.00 20.55 C -ATOM 4601 CG TYR B 88 69.123 64.300 67.174 1.00 19.66 C -ATOM 4602 CD1 TYR B 88 68.058 65.170 66.884 1.00 21.57 C -ATOM 4603 CD2 TYR B 88 70.445 64.744 67.017 1.00 20.28 C -ATOM 4604 CE1 TYR B 88 68.314 66.472 66.428 1.00 21.86 C -ATOM 4605 CE2 TYR B 88 70.705 66.041 66.544 1.00 18.06 C -ATOM 4606 CZ TYR B 88 69.638 66.908 66.253 1.00 17.04 C -ATOM 4607 OH TYR B 88 69.881 68.166 65.815 1.00 21.84 O -ATOM 4608 H TYR B 88 66.529 62.522 66.159 1.00 23.37 H -ATOM 4609 HA TYR B 88 69.378 61.579 66.206 1.00 20.67 H -ATOM 4610 HB2 TYR B 88 68.007 63.044 68.445 1.00 24.66 H -ATOM 4611 HB3 TYR B 88 69.692 62.593 68.321 1.00 24.66 H -ATOM 4612 HD1 TYR B 88 67.038 64.846 67.024 1.00 25.88 H -ATOM 4613 HD2 TYR B 88 71.267 64.092 67.272 1.00 24.33 H -ATOM 4614 HE1 TYR B 88 67.494 67.138 66.206 1.00 26.23 H -ATOM 4615 HE2 TYR B 88 71.723 66.377 66.419 1.00 21.67 H -ATOM 4616 HH TYR B 88 70.709 68.211 65.350 1.00 26.21 H -ATOM 4617 N CYS B 89 68.745 59.477 67.341 1.00 21.06 N -ATOM 4618 CA CYS B 89 68.436 58.170 67.933 1.00 23.39 C -ATOM 4619 C CYS B 89 68.952 58.026 69.376 1.00 24.87 C -ATOM 4620 O CYS B 89 69.302 56.936 69.814 1.00 32.59 O -ATOM 4621 CB CYS B 89 69.016 57.071 67.029 1.00 31.04 C -ATOM 4622 SG CYS B 89 68.490 57.281 65.310 1.00 31.01 S -ATOM 4623 H CYS B 89 69.543 59.516 66.725 1.00 25.27 H -ATOM 4624 HA CYS B 89 67.353 58.049 67.968 1.00 28.07 H -ATOM 4625 HB2 CYS B 89 70.104 57.115 67.073 1.00 37.25 H -ATOM 4626 HB3 CYS B 89 68.702 56.091 67.387 1.00 37.25 H -ATOM 4627 HG CYS B 89 67.257 56.781 65.413 1.00 37.21 H -ATOM 4628 N ALA B 90 69.120 59.140 70.077 1.00 25.46 N -ATOM 4629 CA ALA B 90 70.032 59.301 71.209 1.00 32.29 C -ATOM 4630 C ALA B 90 69.691 58.509 72.499 1.00 33.12 C -ATOM 4631 O ALA B 90 68.653 57.857 72.605 1.00 33.16 O -ATOM 4632 CB ALA B 90 70.081 60.811 71.469 1.00 37.38 C -ATOM 4633 H ALA B 90 68.730 59.983 69.681 1.00 30.56 H -ATOM 4634 HA ALA B 90 71.027 58.983 70.896 1.00 38.75 H -ATOM 4635 HB1 ALA B 90 70.694 61.039 72.339 1.00 44.85 H -ATOM 4636 HB2 ALA B 90 70.494 61.324 70.602 1.00 44.85 H -ATOM 4637 HB3 ALA B 90 69.076 61.187 71.658 1.00 44.85 H -ATOM 4638 N SER B 91 70.568 58.615 73.512 1.00 32.70 N -ATOM 4639 CA SER B 91 70.363 58.093 74.878 1.00 28.38 C -ATOM 4640 C SER B 91 70.633 59.126 76.002 1.00 34.50 C -ATOM 4641 O SER B 91 70.973 58.747 77.120 1.00 40.54 O -ATOM 4642 CB SER B 91 71.131 56.781 75.076 1.00 21.67 C -ATOM 4643 OG SER B 91 72.525 57.005 75.091 1.00 31.16 O -ATOM 4644 H SER B 91 71.441 59.086 73.326 1.00 39.24 H -ATOM 4645 HA SER B 91 69.308 57.835 74.970 1.00 34.06 H -ATOM 4646 HB2 SER B 91 70.832 56.323 76.018 1.00 26.01 H -ATOM 4647 HB3 SER B 91 70.881 56.095 74.268 1.00 26.01 H -ATOM 4648 HG SER B 91 72.765 57.588 74.369 1.00 37.39 H -ATOM 4649 N TRP B 92 70.413 60.430 75.738 1.00 37.32 N -ATOM 4650 CA TRP B 92 70.350 61.526 76.736 1.00 20.26 C -ATOM 4651 C TRP B 92 71.633 61.769 77.543 1.00 18.45 C -ATOM 4652 O TRP B 92 71.588 62.225 78.682 1.00 19.82 O -ATOM 4653 CB TRP B 92 69.142 61.351 77.666 1.00 22.47 C -ATOM 4654 CG TRP B 92 67.794 61.174 77.051 1.00 26.87 C -ATOM 4655 CD1 TRP B 92 67.370 60.129 76.312 1.00 34.67 C -ATOM 4656 CD2 TRP B 92 66.631 62.023 77.203 1.00 23.56 C -ATOM 4657 NE1 TRP B 92 66.037 60.272 76.002 1.00 33.65 N -ATOM 4658 CE2 TRP B 92 65.524 61.417 76.541 1.00 28.40 C -ATOM 4659 CE3 TRP B 92 66.397 63.253 77.835 1.00 27.67 C -ATOM 4660 CZ2 TRP B 92 64.265 62.020 76.461 1.00 31.34 C -ATOM 4661 CZ3 TRP B 92 65.122 63.842 77.795 1.00 35.62 C -ATOM 4662 CH2 TRP B 92 64.057 63.243 77.104 1.00 33.47 C -ATOM 4663 H TRP B 92 70.102 60.660 74.806 1.00 44.78 H -ATOM 4664 HA TRP B 92 70.177 62.451 76.186 1.00 24.31 H -ATOM 4665 HB2 TRP B 92 69.325 60.497 78.317 1.00 26.96 H -ATOM 4666 HB3 TRP B 92 69.080 62.227 78.311 1.00 26.96 H -ATOM 4667 HD1 TRP B 92 67.971 59.275 76.039 1.00 41.60 H -ATOM 4668 HE1 TRP B 92 65.510 59.605 75.459 1.00 40.38 H -ATOM 4669 HE3 TRP B 92 67.204 63.748 78.354 1.00 33.21 H -ATOM 4670 HZ2 TRP B 92 63.466 61.540 75.916 1.00 37.61 H -ATOM 4671 HZ3 TRP B 92 64.968 64.788 78.291 1.00 42.74 H -ATOM 4672 HH2 TRP B 92 63.093 63.728 77.067 1.00 40.16 H -ATOM 4673 N ASP B 93 72.793 61.442 76.997 1.00 22.27 N -ATOM 4674 CA ASP B 93 74.070 61.507 77.712 1.00 26.27 C -ATOM 4675 C ASP B 93 75.230 61.575 76.707 1.00 39.15 C -ATOM 4676 O ASP B 93 75.057 61.313 75.517 1.00 36.55 O -ATOM 4677 CB ASP B 93 74.184 60.292 78.663 1.00 43.08 C -ATOM 4678 CG ASP B 93 75.141 60.484 79.852 1.00 34.27 C -ATOM 4679 OD1 ASP B 93 76.141 61.224 79.731 1.00 54.34 O -ATOM 4680 OD2 ASP B 93 74.870 59.896 80.925 1.00 37.08 O -ATOM 4681 H ASP B 93 72.812 61.084 76.053 1.00 26.73 H -ATOM 4682 HA ASP B 93 74.092 62.417 78.311 1.00 31.53 H -ATOM 4683 HB2 ASP B 93 73.200 60.073 79.076 1.00 51.70 H -ATOM 4684 HB3 ASP B 93 74.488 59.412 78.099 1.00 51.70 H -ATOM 4685 N ALA B 94 76.409 61.953 77.179 1.00 42.36 N -ATOM 4686 CA ALA B 94 77.658 61.871 76.445 1.00 53.56 C -ATOM 4687 C ALA B 94 78.509 60.662 76.887 1.00 54.12 C -ATOM 4688 O ALA B 94 79.113 60.016 76.036 1.00 59.86 O -ATOM 4689 CB ALA B 94 78.391 63.203 76.637 1.00 50.80 C -ATOM 4690 H ALA B 94 76.464 62.121 78.172 1.00 50.83 H -ATOM 4691 HA ALA B 94 77.455 61.760 75.381 1.00 64.27 H -ATOM 4692 HB1 ALA B 94 79.326 63.189 76.077 1.00 60.96 H -ATOM 4693 HB2 ALA B 94 77.774 64.020 76.266 1.00 60.96 H -ATOM 4694 HB3 ALA B 94 78.608 63.367 77.692 1.00 60.96 H -ATOM 4695 N SER B 95 78.552 60.350 78.194 1.00 54.25 N -ATOM 4696 CA SER B 95 79.326 59.255 78.823 1.00 65.39 C -ATOM 4697 C SER B 95 80.733 59.023 78.214 1.00 70.16 C -ATOM 4698 O SER B 95 81.444 59.987 77.918 1.00 68.49 O -ATOM 4699 CB SER B 95 78.443 57.998 78.880 1.00 67.99 C -ATOM 4700 OG SER B 95 79.004 57.000 79.714 1.00 75.41 O -ATOM 4701 H SER B 95 77.966 60.895 78.809 1.00 65.10 H -ATOM 4702 HA SER B 95 79.505 59.549 79.856 1.00 78.47 H -ATOM 4703 HB2 SER B 95 77.457 58.264 79.258 1.00 81.59 H -ATOM 4704 HB3 SER B 95 78.324 57.594 77.876 1.00 81.59 H -ATOM 4705 HG SER B 95 78.744 57.176 80.617 1.00 90.49 H -ATOM 4706 N LEU B 96 81.170 57.763 78.083 1.00 73.81 N -ATOM 4707 CA LEU B 96 82.507 57.351 77.618 1.00 77.90 C -ATOM 4708 C LEU B 96 82.570 56.987 76.119 1.00 75.06 C -ATOM 4709 O LEU B 96 83.598 57.217 75.477 1.00 78.28 O -ATOM 4710 CB LEU B 96 82.982 56.148 78.469 1.00 93.02 C -ATOM 4711 CG LEU B 96 83.163 56.414 79.980 1.00 97.29 C -ATOM 4712 CD1 LEU B 96 83.358 55.101 80.735 1.00106.36 C -ATOM 4713 CD2 LEU B 96 84.372 57.303 80.260 1.00107.63 C -ATOM 4714 H LEU B 96 80.561 57.045 78.449 1.00 88.57 H -ATOM 4715 HA LEU B 96 83.207 58.173 77.767 1.00 93.48 H -ATOM 4716 HB2 LEU B 96 82.258 55.344 78.348 1.00111.62 H -ATOM 4717 HB3 LEU B 96 83.930 55.791 78.070 1.00111.62 H -ATOM 4718 HG LEU B 96 82.275 56.899 80.378 1.00116.75 H -ATOM 4719 HD11 LEU B 96 83.476 55.300 81.799 1.00127.64 H -ATOM 4720 HD12 LEU B 96 82.487 54.466 80.595 1.00127.64 H -ATOM 4721 HD13 LEU B 96 84.241 54.585 80.367 1.00127.64 H -ATOM 4722 HD21 LEU B 96 84.473 57.458 81.332 1.00129.15 H -ATOM 4723 HD22 LEU B 96 85.276 56.837 79.879 1.00129.15 H -ATOM 4724 HD23 LEU B 96 84.238 58.272 79.786 1.00129.15 H -ATOM 4725 N ARG B 97 81.507 56.398 75.552 1.00 75.82 N -ATOM 4726 CA ARG B 97 81.467 55.920 74.153 1.00 72.83 C -ATOM 4727 C ARG B 97 81.484 57.097 73.164 1.00 66.24 C -ATOM 4728 O ARG B 97 81.013 58.184 73.485 1.00 68.66 O -ATOM 4729 CB ARG B 97 80.245 55.011 73.919 1.00 71.08 C -ATOM 4730 CG ARG B 97 80.033 53.948 75.015 1.00 74.67 C -ATOM 4731 CD ARG B 97 79.107 52.802 74.582 1.00 70.85 C -ATOM 4732 NE ARG B 97 77.765 53.252 74.139 1.00 62.98 N -ATOM 4733 CZ ARG B 97 76.642 53.253 74.833 1.00 48.47 C -ATOM 4734 NH1 ARG B 97 75.520 53.552 74.259 1.00 50.23 N -ATOM 4735 NH2 ARG B 97 76.601 52.961 76.094 1.00 45.56 N -ATOM 4736 H ARG B 97 80.687 56.272 76.127 1.00 90.98 H -ATOM 4737 HA ARG B 97 82.367 55.331 73.974 1.00 87.40 H -ATOM 4738 HB2 ARG B 97 79.347 55.625 73.862 1.00 85.30 H -ATOM 4739 HB3 ARG B 97 80.362 54.520 72.953 1.00 85.30 H -ATOM 4740 HG2 ARG B 97 80.997 53.523 75.292 1.00 89.60 H -ATOM 4741 HG3 ARG B 97 79.606 54.422 75.898 1.00 89.60 H -ATOM 4742 HD2 ARG B 97 79.592 52.269 73.765 1.00 85.02 H -ATOM 4743 HD3 ARG B 97 79.013 52.102 75.411 1.00 85.02 H -ATOM 4744 HE ARG B 97 77.677 53.582 73.190 1.00 75.57 H -ATOM 4745 HH11 ARG B 97 75.491 53.776 73.276 1.00 60.28 H -ATOM 4746 HH12 ARG B 97 74.671 53.579 74.802 1.00 60.28 H -ATOM 4747 HH21 ARG B 97 77.455 52.720 76.573 1.00 54.68 H -ATOM 4748 HH22 ARG B 97 75.727 52.959 76.594 1.00 54.68 H -ATOM 4749 N GLY B 98 81.992 56.907 71.947 1.00 64.47 N -ATOM 4750 CA GLY B 98 82.109 57.998 70.965 1.00 59.65 C -ATOM 4751 C GLY B 98 80.764 58.602 70.555 1.00 56.68 C -ATOM 4752 O GLY B 98 80.647 59.819 70.422 1.00 59.00 O -ATOM 4753 H GLY B 98 82.381 56.009 71.700 1.00 77.36 H -ATOM 4754 HA2 GLY B 98 82.735 58.788 71.376 1.00 71.59 H -ATOM 4755 HA3 GLY B 98 82.591 57.617 70.067 1.00 71.59 H -ATOM 4756 N TYR B 99 79.736 57.763 70.427 1.00 48.12 N -ATOM 4757 CA TYR B 99 78.344 58.163 70.244 1.00 48.99 C -ATOM 4758 C TYR B 99 77.525 57.783 71.487 1.00 56.43 C -ATOM 4759 O TYR B 99 77.491 56.605 71.836 1.00 54.42 O -ATOM 4760 CB TYR B 99 77.769 57.439 69.027 1.00 48.86 C -ATOM 4761 CG TYR B 99 78.147 57.946 67.649 1.00 52.06 C -ATOM 4762 CD1 TYR B 99 79.387 57.619 67.079 1.00 52.17 C -ATOM 4763 CD2 TYR B 99 77.186 58.613 66.870 1.00 52.06 C -ATOM 4764 CE1 TYR B 99 79.644 57.903 65.724 1.00 56.77 C -ATOM 4765 CE2 TYR B 99 77.440 58.900 65.517 1.00 50.55 C -ATOM 4766 CZ TYR B 99 78.664 58.535 64.936 1.00 51.75 C -ATOM 4767 OH TYR B 99 78.859 58.727 63.608 1.00 51.16 O -ATOM 4768 H TYR B 99 79.921 56.780 70.561 1.00 57.75 H -ATOM 4769 HA TYR B 99 78.265 59.237 70.078 1.00 58.79 H -ATOM 4770 HB2 TYR B 99 78.047 56.388 69.089 1.00 58.63 H -ATOM 4771 HB3 TYR B 99 76.683 57.485 69.106 1.00 58.63 H -ATOM 4772 HD1 TYR B 99 80.121 57.083 67.662 1.00 62.60 H -ATOM 4773 HD2 TYR B 99 76.233 58.878 67.303 1.00 62.47 H -ATOM 4774 HE1 TYR B 99 80.583 57.608 65.281 1.00 68.13 H -ATOM 4775 HE2 TYR B 99 76.698 59.389 64.904 1.00 60.66 H -ATOM 4776 HH TYR B 99 79.782 58.638 63.372 1.00 61.39 H -ATOM 4777 N VAL B 100 76.826 58.753 72.103 1.00 57.71 N -ATOM 4778 CA VAL B 100 75.811 58.565 73.181 1.00 45.30 C -ATOM 4779 C VAL B 100 74.617 59.537 73.050 1.00 35.35 C -ATOM 4780 O VAL B 100 73.483 59.154 73.356 1.00 35.52 O -ATOM 4781 CB VAL B 100 76.439 58.636 74.590 1.00 39.58 C -ATOM 4782 CG1 VAL B 100 75.466 58.290 75.720 1.00 35.85 C -ATOM 4783 CG2 VAL B 100 77.579 57.628 74.753 1.00 56.43 C -ATOM 4784 H VAL B 100 76.973 59.691 71.763 1.00 69.26 H -ATOM 4785 HA VAL B 100 75.393 57.565 73.074 1.00 54.36 H -ATOM 4786 HB VAL B 100 76.831 59.641 74.743 1.00 47.50 H -ATOM 4787 HG11 VAL B 100 75.957 58.454 76.678 1.00 43.02 H -ATOM 4788 HG12 VAL B 100 74.567 58.905 75.681 1.00 43.02 H -ATOM 4789 HG13 VAL B 100 75.169 57.245 75.652 1.00 43.02 H -ATOM 4790 HG21 VAL B 100 77.949 57.629 75.778 1.00 67.71 H -ATOM 4791 HG22 VAL B 100 77.231 56.627 74.505 1.00 67.71 H -ATOM 4792 HG23 VAL B 100 78.411 57.903 74.107 1.00 67.71 H -ATOM 4793 N PHE B 101 74.827 60.731 72.475 1.00 34.15 N -ATOM 4794 CA PHE B 101 73.765 61.543 71.853 1.00 27.95 C -ATOM 4795 C PHE B 101 73.915 61.640 70.316 1.00 31.24 C -ATOM 4796 O PHE B 101 73.005 61.264 69.578 1.00 29.48 O -ATOM 4797 CB PHE B 101 73.652 62.911 72.544 1.00 19.60 C -ATOM 4798 CG PHE B 101 72.253 63.501 72.497 1.00 15.07 C -ATOM 4799 CD1 PHE B 101 71.652 63.849 71.272 1.00 23.31 C -ATOM 4800 CD2 PHE B 101 71.521 63.650 73.690 1.00 14.74 C -ATOM 4801 CE1 PHE B 101 70.328 64.317 71.240 1.00 13.65 C -ATOM 4802 CE2 PHE B 101 70.196 64.119 73.654 1.00 13.51 C -ATOM 4803 CZ PHE B 101 69.602 64.444 72.430 1.00 0.66 C -ATOM 4804 H PHE B 101 75.779 61.055 72.385 1.00 40.98 H -ATOM 4805 HA PHE B 101 72.818 61.030 72.022 1.00 33.54 H -ATOM 4806 HB2 PHE B 101 73.935 62.799 73.590 1.00 23.52 H -ATOM 4807 HB3 PHE B 101 74.353 63.613 72.095 1.00 23.52 H -ATOM 4808 HD1 PHE B 101 72.200 63.755 70.347 1.00 27.97 H -ATOM 4809 HD2 PHE B 101 71.972 63.393 74.636 1.00 17.68 H -ATOM 4810 HE1 PHE B 101 69.867 64.573 70.298 1.00 16.38 H -ATOM 4811 HE2 PHE B 101 69.629 64.222 74.567 1.00 16.21 H -ATOM 4812 HZ PHE B 101 68.573 64.770 72.411 1.00 0.79 H -ATOM 4813 N GLY B 102 75.093 62.033 69.822 1.00 34.91 N -ATOM 4814 CA GLY B 102 75.468 61.977 68.399 1.00 37.48 C -ATOM 4815 C GLY B 102 74.948 63.125 67.513 1.00 36.09 C -ATOM 4816 O GLY B 102 74.135 63.931 67.959 1.00 34.89 O -ATOM 4817 H GLY B 102 75.782 62.388 70.468 1.00 41.89 H -ATOM 4818 HA2 GLY B 102 76.556 61.976 68.337 1.00 44.98 H -ATOM 4819 HA3 GLY B 102 75.124 61.036 67.973 1.00 44.98 H -ATOM 4820 N PRO B 103 75.446 63.249 66.268 1.00 35.19 N -ATOM 4821 CA PRO B 103 75.229 64.388 65.369 1.00 28.41 C -ATOM 4822 C PRO B 103 73.804 64.570 64.863 1.00 26.64 C -ATOM 4823 O PRO B 103 73.512 65.603 64.270 1.00 30.05 O -ATOM 4824 CB PRO B 103 76.132 64.120 64.163 1.00 30.11 C -ATOM 4825 CG PRO B 103 76.232 62.602 64.141 1.00 35.42 C -ATOM 4826 CD PRO B 103 76.337 62.302 65.629 1.00 38.62 C -ATOM 4827 HA PRO B 103 75.539 65.311 65.858 1.00 34.09 H -ATOM 4828 HB2 PRO B 103 75.724 64.504 63.229 1.00 36.13 H -ATOM 4829 HB3 PRO B 103 77.118 64.545 64.343 1.00 36.13 H -ATOM 4830 HG2 PRO B 103 75.322 62.169 63.730 1.00 42.51 H -ATOM 4831 HG3 PRO B 103 77.111 62.260 63.596 1.00 42.51 H -ATOM 4832 HD2 PRO B 103 76.042 61.274 65.828 1.00 46.34 H -ATOM 4833 HD3 PRO B 103 77.356 62.473 65.970 1.00 46.34 H -ATOM 4834 N GLY B 104 72.937 63.582 65.035 1.00 28.00 N -ATOM 4835 CA GLY B 104 71.656 63.516 64.347 1.00 31.83 C -ATOM 4836 C GLY B 104 71.818 62.991 62.925 1.00 29.52 C -ATOM 4837 O GLY B 104 72.798 62.323 62.592 1.00 30.31 O -ATOM 4838 H GLY B 104 73.264 62.735 65.472 1.00 33.60 H -ATOM 4839 HA2 GLY B 104 71.003 62.840 64.898 1.00 38.20 H -ATOM 4840 HA3 GLY B 104 71.184 64.497 64.312 1.00 38.20 H -ATOM 4841 N THR B 105 70.848 63.252 62.065 1.00 27.37 N -ATOM 4842 CA THR B 105 70.836 62.881 60.654 1.00 28.02 C -ATOM 4843 C THR B 105 69.785 63.718 59.930 1.00 30.13 C -ATOM 4844 O THR B 105 68.593 63.610 60.231 1.00 30.86 O -ATOM 4845 CB THR B 105 70.483 61.394 60.495 1.00 35.47 C -ATOM 4846 OG1 THR B 105 71.428 60.547 61.111 1.00 38.18 O -ATOM 4847 CG2 THR B 105 70.452 60.988 59.025 1.00 38.54 C -ATOM 4848 H THR B 105 70.112 63.867 62.380 1.00 32.85 H -ATOM 4849 HA THR B 105 71.814 63.067 60.212 1.00 33.63 H -ATOM 4850 HB THR B 105 69.508 61.203 60.940 1.00 42.57 H -ATOM 4851 HG1 THR B 105 71.954 61.091 61.700 1.00 45.81 H -ATOM 4852 HG21 THR B 105 70.305 59.911 58.965 1.00 46.25 H -ATOM 4853 HG22 THR B 105 69.628 61.478 58.509 1.00 46.25 H -ATOM 4854 HG23 THR B 105 71.392 61.260 58.547 1.00 46.25 H -ATOM 4855 N LYS B 106 70.195 64.517 58.938 1.00 28.76 N -ATOM 4856 CA LYS B 106 69.249 65.271 58.104 1.00 29.79 C -ATOM 4857 C LYS B 106 68.386 64.320 57.305 1.00 23.25 C -ATOM 4858 O LYS B 106 68.927 63.463 56.617 1.00 28.24 O -ATOM 4859 CB LYS B 106 69.976 66.233 57.147 1.00 36.00 C -ATOM 4860 CG LYS B 106 70.022 67.645 57.737 1.00 45.53 C -ATOM 4861 CD LYS B 106 70.571 68.668 56.735 1.00 37.11 C -ATOM 4862 CE LYS B 106 70.539 70.097 57.289 1.00 43.92 C -ATOM 4863 NZ LYS B 106 69.161 70.629 57.445 1.00 48.47 N -ATOM 4864 H LYS B 106 71.180 64.566 58.721 1.00 34.52 H -ATOM 4865 HA LYS B 106 68.581 65.839 58.751 1.00 35.75 H -ATOM 4866 HB2 LYS B 106 70.983 65.878 56.936 1.00 43.20 H -ATOM 4867 HB3 LYS B 106 69.430 66.283 56.206 1.00 43.20 H -ATOM 4868 HG2 LYS B 106 69.010 67.932 58.017 1.00 54.63 H -ATOM 4869 HG3 LYS B 106 70.646 67.641 58.630 1.00 54.63 H -ATOM 4870 HD2 LYS B 106 71.604 68.408 56.511 1.00 44.53 H -ATOM 4871 HD3 LYS B 106 70.000 68.625 55.809 1.00 44.53 H -ATOM 4872 HE2 LYS B 106 71.056 70.109 58.246 1.00 52.71 H -ATOM 4873 HE3 LYS B 106 71.097 70.736 56.609 1.00 52.71 H -ATOM 4874 HZ1 LYS B 106 69.181 71.583 57.769 1.00 58.17 H -ATOM 4875 HZ2 LYS B 106 68.664 70.622 56.571 1.00 58.17 H -ATOM 4876 HZ3 LYS B 106 68.633 70.097 58.117 1.00 58.17 H -ATOM 4877 N VAL B 107 67.071 64.503 57.351 1.00 22.18 N -ATOM 4878 CA VAL B 107 66.143 63.774 56.491 1.00 24.30 C -ATOM 4879 C VAL B 107 65.094 64.709 55.924 1.00 28.42 C -ATOM 4880 O VAL B 107 64.542 65.540 56.641 1.00 30.88 O -ATOM 4881 CB VAL B 107 65.508 62.588 57.221 1.00 30.74 C -ATOM 4882 CG1 VAL B 107 64.426 61.888 56.392 1.00 36.30 C -ATOM 4883 CG2 VAL B 107 66.565 61.540 57.586 1.00 34.22 C -ATOM 4884 H VAL B 107 66.686 65.195 57.977 1.00 26.62 H -ATOM 4885 HA VAL B 107 66.702 63.376 55.644 1.00 29.16 H -ATOM 4886 HB VAL B 107 65.046 62.951 58.138 1.00 36.89 H -ATOM 4887 HG11 VAL B 107 64.054 61.018 56.931 1.00 43.55 H -ATOM 4888 HG12 VAL B 107 63.580 62.554 56.229 1.00 43.55 H -ATOM 4889 HG13 VAL B 107 64.830 61.563 55.434 1.00 43.55 H -ATOM 4890 HG21 VAL B 107 66.092 60.677 58.048 1.00 41.06 H -ATOM 4891 HG22 VAL B 107 67.097 61.221 56.693 1.00 41.06 H -ATOM 4892 HG23 VAL B 107 67.270 61.957 58.302 1.00 41.06 H -ATOM 4893 N THR B 108 64.785 64.539 54.637 1.00 33.29 N -ATOM 4894 CA THR B 108 63.921 65.471 53.909 1.00 35.53 C -ATOM 4895 C THR B 108 62.793 64.810 53.148 1.00 35.01 C -ATOM 4896 O THR B 108 63.010 63.884 52.367 1.00 37.04 O -ATOM 4897 CB THR B 108 64.761 66.341 52.977 1.00 43.86 C -ATOM 4898 OG1 THR B 108 65.465 67.255 53.770 1.00 44.13 O -ATOM 4899 CG2 THR B 108 63.987 67.159 51.948 1.00 50.27 C -ATOM 4900 H THR B 108 65.250 63.806 54.123 1.00 39.95 H -ATOM 4901 HA THR B 108 63.463 66.139 54.639 1.00 42.63 H -ATOM 4902 HB THR B 108 65.467 65.708 52.441 1.00 52.64 H -ATOM 4903 HG1 THR B 108 64.798 67.773 54.226 1.00 52.95 H -ATOM 4904 HG21 THR B 108 64.682 67.770 51.374 1.00 60.32 H -ATOM 4905 HG22 THR B 108 63.465 66.497 51.259 1.00 60.32 H -ATOM 4906 HG23 THR B 108 63.269 67.811 52.442 1.00 60.32 H -ATOM 4907 N VAL B 109 61.598 65.365 53.303 1.00 34.01 N -ATOM 4908 CA VAL B 109 60.460 65.126 52.425 1.00 38.32 C -ATOM 4909 C VAL B 109 60.627 65.960 51.161 1.00 41.92 C -ATOM 4910 O VAL B 109 60.502 67.183 51.170 1.00 41.06 O -ATOM 4911 CB VAL B 109 59.124 65.419 53.122 1.00 39.80 C -ATOM 4912 CG1 VAL B 109 57.954 65.355 52.140 1.00 41.72 C -ATOM 4913 CG2 VAL B 109 58.870 64.361 54.196 1.00 45.45 C -ATOM 4914 H VAL B 109 61.558 66.186 53.889 1.00 40.81 H -ATOM 4915 HA VAL B 109 60.455 64.070 52.153 1.00 45.99 H -ATOM 4916 HB VAL B 109 59.147 66.403 53.584 1.00 47.77 H -ATOM 4917 HG11 VAL B 109 57.010 65.439 52.678 1.00 50.07 H -ATOM 4918 HG12 VAL B 109 58.009 66.184 51.437 1.00 50.07 H -ATOM 4919 HG13 VAL B 109 57.982 64.411 51.601 1.00 50.07 H -ATOM 4920 HG21 VAL B 109 57.891 64.514 54.646 1.00 54.54 H -ATOM 4921 HG22 VAL B 109 58.905 63.368 53.757 1.00 54.54 H -ATOM 4922 HG23 VAL B 109 59.624 64.434 54.974 1.00 54.54 H -ATOM 4923 N LEU B 110 60.919 65.287 50.057 1.00 46.55 N -ATOM 4924 CA LEU B 110 61.193 65.870 48.748 1.00 50.36 C -ATOM 4925 C LEU B 110 59.901 66.350 48.065 1.00 48.88 C -ATOM 4926 O LEU B 110 59.435 65.766 47.091 1.00 49.34 O -ATOM 4927 CB LEU B 110 61.975 64.847 47.900 1.00 51.66 C -ATOM 4928 CG LEU B 110 63.339 64.431 48.477 1.00 43.62 C -ATOM 4929 CD1 LEU B 110 63.881 63.261 47.664 1.00 47.35 C -ATOM 4930 CD2 LEU B 110 64.366 65.559 48.408 1.00 45.91 C -ATOM 4931 H LEU B 110 60.976 64.283 50.145 1.00 55.86 H -ATOM 4932 HA LEU B 110 61.821 66.750 48.883 1.00 60.43 H -ATOM 4933 HB2 LEU B 110 61.361 63.955 47.781 1.00 61.99 H -ATOM 4934 HB3 LEU B 110 62.139 65.263 46.906 1.00 61.99 H -ATOM 4935 HG LEU B 110 63.223 64.110 49.510 1.00 52.35 H -ATOM 4936 HD11 LEU B 110 64.858 62.957 48.037 1.00 56.82 H -ATOM 4937 HD12 LEU B 110 63.198 62.417 47.721 1.00 56.82 H -ATOM 4938 HD13 LEU B 110 63.986 63.555 46.622 1.00 56.82 H -ATOM 4939 HD21 LEU B 110 65.322 65.217 48.802 1.00 55.10 H -ATOM 4940 HD22 LEU B 110 64.505 65.871 47.376 1.00 55.10 H -ATOM 4941 HD23 LEU B 110 64.033 66.415 48.991 1.00 55.10 H -ATOM 4942 N GLY B 111 59.317 67.435 48.576 1.00 45.30 N -ATOM 4943 CA GLY B 111 58.218 68.172 47.929 1.00 46.80 C -ATOM 4944 C GLY B 111 58.630 68.929 46.656 1.00 45.88 C -ATOM 4945 O GLY B 111 57.826 69.655 46.075 1.00 46.83 O -ATOM 4946 H GLY B 111 59.701 67.812 49.430 1.00 54.36 H -ATOM 4947 HA2 GLY B 111 57.425 67.475 47.664 1.00 56.17 H -ATOM 4948 HA3 GLY B 111 57.814 68.895 48.635 1.00 56.17 H -ATOM 4949 N GLN B 112 59.885 68.776 46.236 1.00 42.46 N -ATOM 4950 CA GLN B 112 60.503 69.291 45.018 1.00 39.19 C -ATOM 4951 C GLN B 112 61.384 68.185 44.413 1.00 35.42 C -ATOM 4952 O GLN B 112 61.798 67.273 45.133 1.00 38.92 O -ATOM 4953 CB GLN B 112 61.384 70.510 45.346 1.00 41.60 C -ATOM 4954 CG GLN B 112 60.634 71.727 45.902 1.00 47.82 C -ATOM 4955 CD GLN B 112 59.801 72.426 44.838 1.00 55.21 C -ATOM 4956 OE1 GLN B 112 60.274 73.295 44.120 1.00 59.10 O -ATOM 4957 NE2 GLN B 112 58.543 72.082 44.686 1.00 54.30 N -ATOM 4958 H GLN B 112 60.466 68.148 46.771 1.00 50.95 H -ATOM 4959 HA GLN B 112 59.728 69.572 44.305 1.00 47.02 H -ATOM 4960 HB2 GLN B 112 62.128 70.210 46.083 1.00 49.92 H -ATOM 4961 HB3 GLN B 112 61.920 70.821 44.450 1.00 49.92 H -ATOM 4962 HG2 GLN B 112 60.006 71.440 46.745 1.00 57.39 H -ATOM 4963 HG3 GLN B 112 61.368 72.441 46.274 1.00 57.39 H -ATOM 4964 HE21 GLN B 112 57.995 72.553 43.985 1.00 65.16 H -ATOM 4965 HE22 GLN B 112 58.152 71.336 45.241 1.00 65.16 H -ATOM 4966 N PRO B 113 61.727 68.247 43.120 1.00 34.60 N -ATOM 4967 CA PRO B 113 62.693 67.338 42.520 1.00 32.95 C -ATOM 4968 C PRO B 113 64.094 67.532 43.103 1.00 27.92 C -ATOM 4969 O PRO B 113 64.451 68.634 43.522 1.00 29.46 O -ATOM 4970 CB PRO B 113 62.685 67.646 41.021 1.00 45.28 C -ATOM 4971 CG PRO B 113 61.371 68.390 40.804 1.00 51.60 C -ATOM 4972 CD PRO B 113 61.195 69.143 42.116 1.00 43.29 C -ATOM 4973 HA PRO B 113 62.365 66.311 42.679 1.00 39.54 H -ATOM 4974 HB2 PRO B 113 63.513 68.306 40.766 1.00 54.34 H -ATOM 4975 HB3 PRO B 113 62.731 66.738 40.422 1.00 54.34 H -ATOM 4976 HG2 PRO B 113 61.424 69.065 39.952 1.00 61.92 H -ATOM 4977 HG3 PRO B 113 60.560 67.675 40.684 1.00 61.92 H -ATOM 4978 HD2 PRO B 113 61.777 70.063 42.098 1.00 51.95 H -ATOM 4979 HD3 PRO B 113 60.139 69.361 42.271 1.00 51.95 H -ATOM 4980 N LYS B 114 64.928 66.491 43.060 1.00 23.56 N -ATOM 4981 CA LYS B 114 66.341 66.541 43.454 1.00 22.25 C -ATOM 4982 C LYS B 114 67.198 67.248 42.396 1.00 23.52 C -ATOM 4983 O LYS B 114 68.103 66.668 41.810 1.00 26.95 O -ATOM 4984 CB LYS B 114 66.819 65.120 43.783 1.00 26.35 C -ATOM 4985 CG LYS B 114 68.220 65.128 44.425 1.00 30.15 C -ATOM 4986 CD LYS B 114 69.200 64.227 43.666 1.00 31.61 C -ATOM 4987 CE LYS B 114 70.624 64.428 44.176 1.00 29.53 C -ATOM 4988 NZ LYS B 114 71.577 63.661 43.342 1.00 36.98 N -ATOM 4989 H LYS B 114 64.570 65.622 42.693 1.00 28.28 H -ATOM 4990 HA LYS B 114 66.420 67.136 44.363 1.00 26.70 H -ATOM 4991 HB2 LYS B 114 66.126 64.668 44.490 1.00 31.61 H -ATOM 4992 HB3 LYS B 114 66.809 64.513 42.879 1.00 31.61 H -ATOM 4993 HG2 LYS B 114 68.614 66.142 44.448 1.00 36.18 H -ATOM 4994 HG3 LYS B 114 68.141 64.780 45.453 1.00 36.18 H -ATOM 4995 HD2 LYS B 114 68.902 63.188 43.794 1.00 37.94 H -ATOM 4996 HD3 LYS B 114 69.168 64.469 42.605 1.00 37.94 H -ATOM 4997 HE2 LYS B 114 70.859 65.491 44.136 1.00 35.43 H -ATOM 4998 HE3 LYS B 114 70.673 64.107 45.215 1.00 35.43 H -ATOM 4999 HZ1 LYS B 114 72.530 63.821 43.634 1.00 44.37 H -ATOM 5000 HZ2 LYS B 114 71.384 62.672 43.393 1.00 44.37 H -ATOM 5001 HZ3 LYS B 114 71.501 63.929 42.373 1.00 44.37 H -ATOM 5002 N ALA B 115 66.879 68.497 42.090 1.00 26.43 N -ATOM 5003 CA ALA B 115 67.594 69.278 41.091 1.00 30.91 C -ATOM 5004 C ALA B 115 69.065 69.526 41.498 1.00 29.15 C -ATOM 5005 O ALA B 115 69.370 69.892 42.635 1.00 32.74 O -ATOM 5006 CB ALA B 115 66.818 70.576 40.841 1.00 36.91 C -ATOM 5007 H ALA B 115 66.108 68.919 42.584 1.00 31.71 H -ATOM 5008 HA ALA B 115 67.594 68.713 40.159 1.00 37.09 H -ATOM 5009 HB1 ALA B 115 67.321 71.155 40.068 1.00 44.29 H -ATOM 5010 HB2 ALA B 115 65.807 70.343 40.508 1.00 44.29 H -ATOM 5011 HB3 ALA B 115 66.768 71.165 41.756 1.00 44.29 H -ATOM 5012 N ALA B 116 69.982 69.320 40.560 1.00 27.83 N -ATOM 5013 CA ALA B 116 71.412 69.493 40.773 1.00 28.65 C -ATOM 5014 C ALA B 116 71.828 70.984 40.778 1.00 29.03 C -ATOM 5015 O ALA B 116 71.227 71.790 40.063 1.00 29.82 O -ATOM 5016 CB ALA B 116 72.144 68.693 39.691 1.00 35.36 C -ATOM 5017 H ALA B 116 69.677 69.031 39.642 1.00 33.39 H -ATOM 5018 HA ALA B 116 71.659 69.054 41.739 1.00 34.38 H -ATOM 5019 HB1 ALA B 116 73.220 68.763 39.841 1.00 42.44 H -ATOM 5020 HB2 ALA B 116 71.852 67.646 39.742 1.00 42.44 H -ATOM 5021 HB3 ALA B 116 71.900 69.085 38.706 1.00 42.44 H -ATOM 5022 N PRO B 117 72.879 71.358 41.530 1.00 29.46 N -ATOM 5023 CA PRO B 117 73.329 72.739 41.679 1.00 34.15 C -ATOM 5024 C PRO B 117 73.935 73.350 40.408 1.00 37.59 C -ATOM 5025 O PRO B 117 74.723 72.724 39.700 1.00 35.82 O -ATOM 5026 CB PRO B 117 74.374 72.703 42.801 1.00 34.69 C -ATOM 5027 CG PRO B 117 74.927 71.285 42.733 1.00 30.37 C -ATOM 5028 CD PRO B 117 73.692 70.481 42.356 1.00 28.57 C -ATOM 5029 HA PRO B 117 72.492 73.360 41.994 1.00 40.98 H -ATOM 5030 HB2 PRO B 117 75.160 73.443 42.655 1.00 41.62 H -ATOM 5031 HB3 PRO B 117 73.895 72.853 43.768 1.00 41.62 H -ATOM 5032 HG2 PRO B 117 75.674 71.213 41.944 1.00 36.45 H -ATOM 5033 HG3 PRO B 117 75.342 70.966 43.688 1.00 36.45 H -ATOM 5034 HD2 PRO B 117 73.984 69.575 41.828 1.00 34.28 H -ATOM 5035 HD3 PRO B 117 73.129 70.231 43.254 1.00 34.28 H -ATOM 5036 N SER B 118 73.647 74.628 40.187 1.00 39.56 N -ATOM 5037 CA SER B 118 74.486 75.551 39.424 1.00 37.07 C -ATOM 5038 C SER B 118 75.693 75.994 40.258 1.00 35.98 C -ATOM 5039 O SER B 118 75.564 76.219 41.461 1.00 39.62 O -ATOM 5040 CB SER B 118 73.654 76.778 39.050 1.00 42.75 C -ATOM 5041 OG SER B 118 74.452 77.762 38.425 1.00 47.03 O -ATOM 5042 H SER B 118 72.996 75.056 40.828 1.00 47.47 H -ATOM 5043 HA SER B 118 74.834 75.068 38.511 1.00 44.49 H -ATOM 5044 HB2 SER B 118 72.853 76.475 38.378 1.00 51.30 H -ATOM 5045 HB3 SER B 118 73.210 77.199 39.950 1.00 51.30 H -ATOM 5046 HG SER B 118 73.904 78.527 38.256 1.00 56.44 H -ATOM 5047 N VAL B 119 76.857 76.160 39.629 1.00 31.33 N -ATOM 5048 CA VAL B 119 78.066 76.714 40.255 1.00 33.89 C -ATOM 5049 C VAL B 119 78.676 77.764 39.332 1.00 39.45 C -ATOM 5050 O VAL B 119 78.776 77.550 38.126 1.00 44.61 O -ATOM 5051 CB VAL B 119 79.097 75.617 40.578 1.00 37.99 C -ATOM 5052 CG1 VAL B 119 80.350 76.204 41.236 1.00 47.37 C -ATOM 5053 CG2 VAL B 119 78.536 74.551 41.520 1.00 39.74 C -ATOM 5054 H VAL B 119 76.886 75.993 38.635 1.00 37.59 H -ATOM 5055 HA VAL B 119 77.799 77.206 41.190 1.00 40.67 H -ATOM 5056 HB VAL B 119 79.393 75.124 39.654 1.00 45.59 H -ATOM 5057 HG11 VAL B 119 81.013 75.406 41.565 1.00 56.84 H -ATOM 5058 HG12 VAL B 119 80.895 76.823 40.528 1.00 56.84 H -ATOM 5059 HG13 VAL B 119 80.074 76.802 42.100 1.00 56.84 H -ATOM 5060 HG21 VAL B 119 79.288 73.789 41.715 1.00 47.68 H -ATOM 5061 HG22 VAL B 119 78.249 75.014 42.460 1.00 47.68 H -ATOM 5062 HG23 VAL B 119 77.671 74.068 41.076 1.00 47.68 H -ATOM 5063 N THR B 120 79.118 78.889 39.886 1.00 41.02 N -ATOM 5064 CA THR B 120 79.910 79.912 39.186 1.00 42.95 C -ATOM 5065 C THR B 120 80.823 80.616 40.185 1.00 44.95 C -ATOM 5066 O THR B 120 80.527 80.670 41.374 1.00 50.51 O -ATOM 5067 CB THR B 120 79.014 80.882 38.395 1.00 42.19 C -ATOM 5068 OG1 THR B 120 79.793 81.813 37.680 1.00 56.59 O -ATOM 5069 CG2 THR B 120 78.056 81.702 39.250 1.00 42.38 C -ATOM 5070 H THR B 120 79.006 79.005 40.883 1.00 49.23 H -ATOM 5071 HA THR B 120 80.553 79.411 38.463 1.00 51.54 H -ATOM 5072 HB THR B 120 78.430 80.306 37.678 1.00 50.62 H -ATOM 5073 HG1 THR B 120 79.915 82.579 38.238 1.00 67.91 H -ATOM 5074 HG21 THR B 120 77.455 82.348 38.612 1.00 50.85 H -ATOM 5075 HG22 THR B 120 77.385 81.034 39.785 1.00 50.85 H -ATOM 5076 HG23 THR B 120 78.602 82.306 39.970 1.00 50.85 H -ATOM 5077 N LEU B 121 81.961 81.135 39.741 1.00 49.41 N -ATOM 5078 CA LEU B 121 83.074 81.483 40.630 1.00 59.40 C -ATOM 5079 C LEU B 121 83.482 82.953 40.464 1.00 68.22 C -ATOM 5080 O LEU B 121 83.411 83.481 39.358 1.00 76.03 O -ATOM 5081 CB LEU B 121 84.233 80.507 40.362 1.00 71.82 C -ATOM 5082 CG LEU B 121 83.857 79.011 40.316 1.00 73.45 C -ATOM 5083 CD1 LEU B 121 85.078 78.173 39.957 1.00 88.13 C -ATOM 5084 CD2 LEU B 121 83.336 78.501 41.656 1.00 69.64 C -ATOM 5085 H LEU B 121 82.134 81.139 38.747 1.00 59.29 H -ATOM 5086 HA LEU B 121 82.774 81.356 41.670 1.00 71.28 H -ATOM 5087 HB2 LEU B 121 84.683 80.771 39.406 1.00 86.19 H -ATOM 5088 HB3 LEU B 121 84.985 80.650 41.137 1.00 86.19 H -ATOM 5089 HG LEU B 121 83.103 78.834 39.550 1.00 88.14 H -ATOM 5090 HD11 LEU B 121 84.774 77.142 39.788 1.00105.75 H -ATOM 5091 HD12 LEU B 121 85.532 78.549 39.042 1.00105.75 H -ATOM 5092 HD13 LEU B 121 85.808 78.211 40.764 1.00105.75 H -ATOM 5093 HD21 LEU B 121 83.131 77.433 41.595 1.00 83.56 H -ATOM 5094 HD22 LEU B 121 84.076 78.674 42.436 1.00 83.56 H -ATOM 5095 HD23 LEU B 121 82.411 79.008 41.924 1.00 83.56 H -ATOM 5096 N PHE B 122 83.922 83.626 41.529 1.00 81.15 N -ATOM 5097 CA PHE B 122 84.231 85.060 41.500 1.00 89.28 C -ATOM 5098 C PHE B 122 85.619 85.391 42.076 1.00 95.64 C -ATOM 5099 O PHE B 122 85.780 85.635 43.274 1.00 98.16 O -ATOM 5100 CB PHE B 122 83.095 85.872 42.150 1.00 91.37 C -ATOM 5101 CG PHE B 122 83.385 87.360 42.326 1.00100.31 C -ATOM 5102 CD1 PHE B 122 83.786 88.137 41.225 1.00111.22 C -ATOM 5103 CD2 PHE B 122 83.274 87.977 43.588 1.00101.05 C -ATOM 5104 CE1 PHE B 122 84.090 89.499 41.394 1.00112.20 C -ATOM 5105 CE2 PHE B 122 83.577 89.338 43.757 1.00100.20 C -ATOM 5106 CZ PHE B 122 83.990 90.103 42.658 1.00111.10 C -ATOM 5107 H PHE B 122 84.016 83.148 42.413 1.00 97.38 H -ATOM 5108 HA PHE B 122 84.259 85.394 40.464 1.00107.14 H -ATOM 5109 HB2 PHE B 122 82.200 85.771 41.538 1.00109.64 H -ATOM 5110 HB3 PHE B 122 82.858 85.433 43.119 1.00109.64 H -ATOM 5111 HD1 PHE B 122 83.872 87.695 40.244 1.00133.46 H -ATOM 5112 HD2 PHE B 122 82.954 87.406 44.447 1.00121.26 H -ATOM 5113 HE1 PHE B 122 84.403 90.085 40.543 1.00134.64 H -ATOM 5114 HE2 PHE B 122 83.501 89.792 44.734 1.00120.24 H -ATOM 5115 HZ PHE B 122 84.229 91.148 42.781 1.00133.32 H -ATOM 5116 N PRO B 123 86.645 85.442 41.211 1.00109.18 N -ATOM 5117 CA PRO B 123 87.814 86.284 41.423 1.00124.27 C -ATOM 5118 C PRO B 123 87.432 87.743 41.078 1.00123.41 C -ATOM 5119 O PRO B 123 86.930 87.982 39.979 1.00119.63 O -ATOM 5120 CB PRO B 123 88.898 85.742 40.475 1.00131.39 C -ATOM 5121 CG PRO B 123 88.237 84.623 39.661 1.00126.65 C -ATOM 5122 CD PRO B 123 86.739 84.757 39.935 1.00106.94 C -ATOM 5123 HA PRO B 123 88.163 86.195 42.451 1.00149.12 H -ATOM 5124 HB2 PRO B 123 89.262 86.522 39.810 1.00157.67 H -ATOM 5125 HB3 PRO B 123 89.734 85.341 41.045 1.00157.67 H -ATOM 5126 HG2 PRO B 123 88.462 84.707 38.599 1.00151.98 H -ATOM 5127 HG3 PRO B 123 88.584 83.653 40.014 1.00151.98 H -ATOM 5128 HD2 PRO B 123 86.263 85.358 39.161 1.00128.33 H -ATOM 5129 HD3 PRO B 123 86.282 83.769 39.976 1.00128.33 H -ATOM 5130 N PRO B 124 87.661 88.735 41.952 1.00125.12 N -ATOM 5131 CA PRO B 124 87.507 90.148 41.607 1.00141.20 C -ATOM 5132 C PRO B 124 88.543 90.631 40.590 1.00146.56 C -ATOM 5133 O PRO B 124 89.520 89.947 40.284 1.00153.39 O -ATOM 5134 CB PRO B 124 87.641 90.923 42.918 1.00148.03 C -ATOM 5135 CG PRO B 124 87.409 89.872 43.996 1.00126.30 C -ATOM 5136 CD PRO B 124 87.934 88.591 43.365 1.00118.98 C -ATOM 5137 HA PRO B 124 86.513 90.319 41.196 1.00169.44 H -ATOM 5138 HB2 PRO B 124 88.647 91.328 43.019 1.00177.63 H -ATOM 5139 HB3 PRO B 124 86.905 91.723 42.989 1.00177.63 H -ATOM 5140 HG2 PRO B 124 87.951 90.118 44.909 1.00151.56 H -ATOM 5141 HG3 PRO B 124 86.344 89.772 44.197 1.00151.56 H -ATOM 5142 HD2 PRO B 124 89.009 88.519 43.518 1.00142.77 H -ATOM 5143 HD3 PRO B 124 87.418 87.732 43.793 1.00142.77 H -ATOM 5144 N SER B 125 88.372 91.852 40.100 1.00159.65 N -ATOM 5145 CA SER B 125 89.378 92.534 39.288 1.00164.11 C -ATOM 5146 C SER B 125 90.607 92.956 40.087 1.00164.36 C -ATOM 5147 O SER B 125 90.586 93.141 41.306 1.00167.41 O -ATOM 5148 CB SER B 125 88.777 93.768 38.618 1.00165.88 C -ATOM 5149 OG SER B 125 88.392 94.703 39.594 1.00173.85 O -ATOM 5150 H SER B 125 87.590 92.399 40.430 1.00191.58 H -ATOM 5151 HA SER B 125 89.728 91.857 38.509 1.00196.93 H -ATOM 5152 HB2 SER B 125 89.527 94.232 37.978 1.00199.05 H -ATOM 5153 HB3 SER B 125 87.909 93.482 38.025 1.00199.05 H -ATOM 5154 HG SER B 125 87.698 94.294 40.115 1.00208.62 H -ATOM 5155 N SER B 126 91.692 93.205 39.364 1.00175.06 N -ATOM 5156 CA SER B 126 92.843 93.929 39.897 1.00171.50 C -ATOM 5157 C SER B 126 92.444 95.350 40.322 1.00164.29 C -ATOM 5158 O SER B 126 93.007 95.898 41.265 1.00177.12 O -ATOM 5159 CB SER B 126 93.926 93.987 38.821 1.00170.77 C -ATOM 5160 OG SER B 126 93.458 94.692 37.691 1.00181.08 O -ATOM 5161 H SER B 126 91.598 93.166 38.359 1.00210.07 H -ATOM 5162 HA SER B 126 93.231 93.394 40.763 1.00205.80 H -ATOM 5163 HB2 SER B 126 94.807 94.485 39.222 1.00204.92 H -ATOM 5164 HB3 SER B 126 94.189 92.973 38.523 1.00204.92 H -ATOM 5165 HG SER B 126 92.736 94.189 37.308 1.00217.30 H -ATOM 5166 N GLU B 127 91.418 95.921 39.687 1.00167.83 N -ATOM 5167 CA GLU B 127 90.881 97.244 40.021 1.00173.07 C -ATOM 5168 C GLU B 127 90.172 97.260 41.387 1.00175.97 C -ATOM 5169 O GLU B 127 90.118 98.296 42.044 1.00159.96 O -ATOM 5170 CB GLU B 127 89.936 97.736 38.913 1.00174.02 C -ATOM 5171 CG GLU B 127 90.539 97.590 37.507 1.00204.97 C -ATOM 5172 CD GLU B 127 89.749 98.388 36.459 1.00184.28 C -ATOM 5173 OE1 GLU B 127 89.878 99.632 36.419 1.00191.86 O -ATOM 5174 OE2 GLU B 127 89.011 97.774 35.656 1.00192.94 O -ATOM 5175 H GLU B 127 90.983 95.398 38.941 1.00201.40 H -ATOM 5176 HA GLU B 127 91.714 97.943 40.085 1.00207.68 H -ATOM 5177 HB2 GLU B 127 88.997 97.185 38.952 1.00208.83 H -ATOM 5178 HB3 GLU B 127 89.719 98.786 39.103 1.00208.83 H -ATOM 5179 HG2 GLU B 127 91.567 97.947 37.528 1.00245.96 H -ATOM 5180 HG3 GLU B 127 90.562 96.535 37.239 1.00245.96 H -ATOM 5181 N GLU B 128 89.674 96.111 41.851 1.00167.70 N -ATOM 5182 CA GLU B 128 89.234 95.901 43.233 1.00152.42 C -ATOM 5183 C GLU B 128 90.407 95.568 44.175 1.00148.19 C -ATOM 5184 O GLU B 128 90.398 96.001 45.328 1.00169.13 O -ATOM 5185 CB GLU B 128 88.166 94.797 43.246 1.00154.18 C -ATOM 5186 CG GLU B 128 86.833 95.305 42.665 1.00174.80 C -ATOM 5187 CD GLU B 128 86.004 94.189 42.012 1.00159.52 C -ATOM 5188 OE1 GLU B 128 86.447 93.651 40.972 1.00149.93 O -ATOM 5189 OE2 GLU B 128 84.906 93.894 42.530 1.00173.14 O -ATOM 5190 H GLU B 128 89.651 95.319 41.227 1.00201.24 H -ATOM 5191 HA GLU B 128 88.778 96.813 43.616 1.00182.91 H -ATOM 5192 HB2 GLU B 128 88.528 93.951 42.663 1.00185.02 H -ATOM 5193 HB3 GLU B 128 87.996 94.460 44.268 1.00185.02 H -ATOM 5194 HG2 GLU B 128 86.270 95.795 43.459 1.00209.77 H -ATOM 5195 HG3 GLU B 128 87.030 96.058 41.902 1.00209.77 H -ATOM 5196 N LEU B 129 91.450 94.865 43.701 1.00166.36 N -ATOM 5197 CA LEU B 129 92.657 94.546 44.494 1.00158.24 C -ATOM 5198 C LEU B 129 93.452 95.784 44.932 1.00164.04 C -ATOM 5199 O LEU B 129 93.995 95.809 46.033 1.00149.48 O -ATOM 5200 CB LEU B 129 93.567 93.586 43.704 1.00159.05 C -ATOM 5201 CG LEU B 129 94.799 93.087 44.492 1.00167.78 C -ATOM 5202 CD1 LEU B 129 94.377 92.271 45.714 1.00153.23 C -ATOM 5203 CD2 LEU B 129 95.674 92.220 43.589 1.00168.48 C -ATOM 5204 H LEU B 129 91.392 94.519 42.754 1.00199.63 H -ATOM 5205 HA LEU B 129 92.330 94.045 45.405 1.00189.89 H -ATOM 5206 HB2 LEU B 129 92.981 92.727 43.382 1.00190.86 H -ATOM 5207 HB3 LEU B 129 93.929 94.102 42.816 1.00190.86 H -ATOM 5208 HG LEU B 129 95.407 93.929 44.820 1.00201.34 H -ATOM 5209 HD11 LEU B 129 95.234 91.744 46.129 1.00183.88 H -ATOM 5210 HD12 LEU B 129 93.963 92.925 46.479 1.00183.88 H -ATOM 5211 HD13 LEU B 129 93.625 91.538 45.431 1.00183.88 H -ATOM 5212 HD21 LEU B 129 96.535 91.849 44.143 1.00202.18 H -ATOM 5213 HD22 LEU B 129 95.099 91.376 43.211 1.00202.18 H -ATOM 5214 HD23 LEU B 129 96.032 92.813 42.749 1.00202.18 H -ATOM 5215 N GLN B 130 93.483 96.825 44.102 1.00178.23 N -ATOM 5216 CA GLN B 130 94.172 98.093 44.378 1.00155.92 C -ATOM 5217 C GLN B 130 93.711 98.801 45.675 1.00169.33 C -ATOM 5218 O GLN B 130 94.417 99.675 46.178 1.00168.77 O -ATOM 5219 CB GLN B 130 93.997 99.019 43.162 1.00177.16 C -ATOM 5220 CG GLN B 130 94.839 98.560 41.957 1.00178.83 C -ATOM 5221 CD GLN B 130 94.307 99.031 40.602 1.00179.11 C -ATOM 5222 OE1 GLN B 130 93.505 99.947 40.481 1.00185.99 O -ATOM 5223 NE2 GLN B 130 94.747 98.435 39.516 1.00183.00 N -ATOM 5224 H GLN B 130 93.065 96.700 43.192 1.00213.87 H -ATOM 5225 HA GLN B 130 95.235 97.888 44.500 1.00187.11 H -ATOM 5226 HB2 GLN B 130 92.942 99.038 42.894 1.00212.60 H -ATOM 5227 HB3 GLN B 130 94.300 100.032 43.423 1.00212.60 H -ATOM 5228 HG2 GLN B 130 95.859 98.922 42.078 1.00214.60 H -ATOM 5229 HG3 GLN B 130 94.891 97.472 41.939 1.00214.60 H -ATOM 5230 HE21 GLN B 130 94.431 98.772 38.620 1.00219.60 H -ATOM 5231 HE22 GLN B 130 95.430 97.695 39.585 1.00219.60 H -ATOM 5232 N ALA B 131 92.562 98.425 46.248 1.00163.76 N -ATOM 5233 CA ALA B 131 92.077 98.915 47.543 1.00158.97 C -ATOM 5234 C ALA B 131 92.515 98.051 48.755 1.00156.53 C -ATOM 5235 O ALA B 131 92.139 98.346 49.887 1.00139.54 O -ATOM 5236 CB ALA B 131 90.549 99.045 47.445 1.00154.40 C -ATOM 5237 H ALA B 131 92.001 97.733 45.774 1.00196.51 H -ATOM 5238 HA ALA B 131 92.475 99.915 47.714 1.00190.77 H -ATOM 5239 HB1 ALA B 131 90.160 99.503 48.351 1.00185.28 H -ATOM 5240 HB2 ALA B 131 90.285 99.681 46.602 1.00185.28 H -ATOM 5241 HB3 ALA B 131 90.091 98.067 47.314 1.00185.28 H -ATOM 5242 N ASN B 132 93.242 96.948 48.539 1.00158.20 N -ATOM 5243 CA ASN B 132 93.551 95.865 49.496 1.00149.98 C -ATOM 5244 C ASN B 132 92.339 95.067 50.036 1.00130.54 C -ATOM 5245 O ASN B 132 92.521 93.964 50.552 1.00153.85 O -ATOM 5246 CB ASN B 132 94.459 96.369 50.640 1.00154.08 C -ATOM 5247 CG ASN B 132 95.751 97.001 50.158 1.00157.42 C -ATOM 5248 OD1 ASN B 132 96.615 96.345 49.601 1.00153.29 O -ATOM 5249 ND2 ASN B 132 95.935 98.282 50.361 1.00158.30 N -ATOM 5250 H ASN B 132 93.546 96.789 47.590 1.00189.84 H -ATOM 5251 HA ASN B 132 94.137 95.133 48.941 1.00179.98 H -ATOM 5252 HB2 ASN B 132 93.915 97.077 51.263 1.00184.89 H -ATOM 5253 HB3 ASN B 132 94.730 95.528 51.276 1.00184.89 H -ATOM 5254 HD21 ASN B 132 96.797 98.699 50.046 1.00189.96 H -ATOM 5255 HD22 ASN B 132 95.227 98.830 50.824 1.00189.96 H -ATOM 5256 N LYS B 133 91.106 95.577 49.907 1.00137.56 N -ATOM 5257 CA LYS B 133 89.880 94.969 50.471 1.00129.16 C -ATOM 5258 C LYS B 133 89.408 93.706 49.739 1.00132.77 C -ATOM 5259 O LYS B 133 88.542 92.988 50.239 1.00126.04 O -ATOM 5260 CB LYS B 133 88.730 95.993 50.478 1.00126.30 C -ATOM 5261 CG LYS B 133 89.080 97.411 50.947 1.00114.07 C -ATOM 5262 CD LYS B 133 89.834 97.477 52.283 1.00132.48 C -ATOM 5263 CE LYS B 133 90.180 98.940 52.579 1.00143.39 C -ATOM 5264 NZ LYS B 133 90.868 99.091 53.882 1.00123.95 N -ATOM 5265 H LYS B 133 91.039 96.513 49.535 1.00165.07 H -ATOM 5266 HA LYS B 133 90.079 94.671 51.500 1.00154.99 H -ATOM 5267 HB2 LYS B 133 88.322 96.075 49.472 1.00151.56 H -ATOM 5268 HB3 LYS B 133 87.936 95.612 51.118 1.00151.56 H -ATOM 5269 HG2 LYS B 133 89.665 97.903 50.172 1.00136.88 H -ATOM 5270 HG3 LYS B 133 88.150 97.969 51.044 1.00136.88 H -ATOM 5271 HD2 LYS B 133 89.202 97.075 53.072 1.00158.97 H -ATOM 5272 HD3 LYS B 133 90.754 96.897 52.233 1.00158.97 H -ATOM 5273 HE2 LYS B 133 90.815 99.317 51.779 1.00172.06 H -ATOM 5274 HE3 LYS B 133 89.259 99.521 52.576 1.00172.06 H -ATOM 5275 HZ1 LYS B 133 91.086 100.059 54.065 1.00148.74 H -ATOM 5276 HZ2 LYS B 133 90.288 98.763 54.640 1.00148.74 H -ATOM 5277 HZ3 LYS B 133 91.734 98.573 53.905 1.00148.74 H -ATOM 5278 N ALA B 134 89.915 93.463 48.533 1.00140.90 N -ATOM 5279 CA ALA B 134 89.405 92.429 47.645 1.00138.43 C -ATOM 5280 C ALA B 134 89.451 91.020 48.267 1.00123.38 C -ATOM 5281 O ALA B 134 90.256 90.699 49.140 1.00129.01 O -ATOM 5282 CB ALA B 134 90.140 92.511 46.308 1.00150.72 C -ATOM 5283 H ALA B 134 90.623 94.090 48.184 1.00169.08 H -ATOM 5284 HA ALA B 134 88.359 92.664 47.451 1.00166.12 H -ATOM 5285 HB1 ALA B 134 89.686 91.828 45.592 1.00180.86 H -ATOM 5286 HB2 ALA B 134 90.050 93.519 45.912 1.00180.86 H -ATOM 5287 HB3 ALA B 134 91.189 92.254 46.440 1.00180.86 H -ATOM 5288 N THR B 135 88.517 90.180 47.831 1.00113.94 N -ATOM 5289 CA THR B 135 88.154 88.917 48.484 1.00108.76 C -ATOM 5290 C THR B 135 87.795 87.869 47.427 1.00106.60 C -ATOM 5291 O THR B 135 87.055 88.177 46.499 1.00105.68 O -ATOM 5292 CB THR B 135 86.984 89.247 49.423 1.00105.58 C -ATOM 5293 OG1 THR B 135 87.482 89.954 50.543 1.00107.44 O -ATOM 5294 CG2 THR B 135 86.196 88.067 49.970 1.00101.39 C -ATOM 5295 H THR B 135 87.911 90.491 47.087 1.00136.73 H -ATOM 5296 HA THR B 135 88.986 88.535 49.075 1.00130.51 H -ATOM 5297 HB THR B 135 86.278 89.889 48.896 1.00126.69 H -ATOM 5298 HG1 THR B 135 87.813 90.804 50.247 1.00128.93 H -ATOM 5299 HG21 THR B 135 85.389 88.449 50.589 1.00121.66 H -ATOM 5300 HG22 THR B 135 85.770 87.480 49.160 1.00121.66 H -ATOM 5301 HG23 THR B 135 86.839 87.441 50.580 1.00121.66 H -ATOM 5302 N LEU B 136 88.294 86.638 47.539 1.00100.54 N -ATOM 5303 CA LEU B 136 87.991 85.565 46.580 1.00103.29 C -ATOM 5304 C LEU B 136 86.726 84.799 46.994 1.00 91.97 C -ATOM 5305 O LEU B 136 86.480 84.622 48.187 1.00 85.83 O -ATOM 5306 CB LEU B 136 89.209 84.636 46.431 1.00103.19 C -ATOM 5307 CG LEU B 136 90.461 85.305 45.824 1.00133.34 C -ATOM 5308 CD1 LEU B 136 91.651 84.345 45.835 1.00124.55 C -ATOM 5309 CD2 LEU B 136 90.240 85.735 44.373 1.00125.48 C -ATOM 5310 H LEU B 136 88.826 86.404 48.364 1.00120.65 H -ATOM 5311 HA LEU B 136 87.776 86.004 45.606 1.00123.95 H -ATOM 5312 HB2 LEU B 136 89.464 84.243 47.414 1.00123.83 H -ATOM 5313 HB3 LEU B 136 88.929 83.792 45.801 1.00123.83 H -ATOM 5314 HG LEU B 136 90.727 86.181 46.414 1.00160.01 H -ATOM 5315 HD11 LEU B 136 92.534 84.846 45.444 1.00149.46 H -ATOM 5316 HD12 LEU B 136 91.856 84.030 46.857 1.00149.46 H -ATOM 5317 HD13 LEU B 136 91.431 83.468 45.229 1.00149.46 H -ATOM 5318 HD21 LEU B 136 91.156 86.169 43.979 1.00150.57 H -ATOM 5319 HD22 LEU B 136 89.952 84.879 43.766 1.00150.57 H -ATOM 5320 HD23 LEU B 136 89.464 86.498 44.336 1.00150.57 H -ATOM 5321 N VAL B 137 85.907 84.377 46.025 1.00 81.40 N -ATOM 5322 CA VAL B 137 84.512 83.957 46.261 1.00 73.35 C -ATOM 5323 C VAL B 137 84.072 82.794 45.371 1.00 57.63 C -ATOM 5324 O VAL B 137 84.431 82.722 44.197 1.00 63.48 O -ATOM 5325 CB VAL B 137 83.589 85.166 46.019 1.00 75.67 C -ATOM 5326 CG1 VAL B 137 82.092 84.836 45.948 1.00 75.01 C -ATOM 5327 CG2 VAL B 137 83.774 86.263 47.070 1.00 79.43 C -ATOM 5328 H VAL B 137 86.150 84.586 45.068 1.00 97.68 H -ATOM 5329 HA VAL B 137 84.404 83.637 47.297 1.00 88.02 H -ATOM 5330 HB VAL B 137 83.872 85.588 45.055 1.00 90.81 H -ATOM 5331 HG11 VAL B 137 81.518 85.751 45.818 1.00 90.02 H -ATOM 5332 HG12 VAL B 137 81.874 84.194 45.097 1.00 90.02 H -ATOM 5333 HG13 VAL B 137 81.769 84.355 46.868 1.00 90.02 H -ATOM 5334 HG21 VAL B 137 83.065 87.074 46.907 1.00 95.31 H -ATOM 5335 HG22 VAL B 137 83.616 85.839 48.060 1.00 95.31 H -ATOM 5336 HG23 VAL B 137 84.777 86.683 47.004 1.00 95.31 H -ATOM 5337 N CYS B 138 83.186 81.945 45.889 1.00 51.31 N -ATOM 5338 CA CYS B 138 82.423 80.973 45.107 1.00 40.35 C -ATOM 5339 C CYS B 138 80.927 81.105 45.375 1.00 34.20 C -ATOM 5340 O CYS B 138 80.522 81.355 46.511 1.00 38.62 O -ATOM 5341 CB CYS B 138 82.946 79.566 45.403 1.00 51.47 C -ATOM 5342 SG CYS B 138 81.812 78.288 44.801 1.00 49.02 S -ATOM 5343 H CYS B 138 82.902 82.092 46.847 1.00 61.58 H -ATOM 5344 HA CYS B 138 82.565 81.160 44.043 1.00 48.42 H -ATOM 5345 HB2 CYS B 138 83.904 79.438 44.903 1.00 61.76 H -ATOM 5346 HB3 CYS B 138 83.087 79.439 46.475 1.00 61.76 H -ATOM 5347 HG CYS B 138 80.859 78.457 45.706 1.00 58.82 H -ATOM 5348 N LEU B 139 80.115 80.892 44.341 1.00 35.96 N -ATOM 5349 CA LEU B 139 78.660 80.928 44.389 1.00 34.02 C -ATOM 5350 C LEU B 139 78.072 79.596 43.911 1.00 37.02 C -ATOM 5351 O LEU B 139 78.499 79.030 42.907 1.00 44.98 O -ATOM 5352 CB LEU B 139 78.132 82.058 43.493 1.00 39.26 C -ATOM 5353 CG LEU B 139 78.834 83.417 43.626 1.00 51.07 C -ATOM 5354 CD1 LEU B 139 78.227 84.398 42.627 1.00 62.57 C -ATOM 5355 CD2 LEU B 139 78.687 84.013 45.021 1.00 54.27 C -ATOM 5356 H LEU B 139 80.515 80.626 43.455 1.00 43.15 H -ATOM 5357 HA LEU B 139 78.329 81.105 45.412 1.00 40.82 H -ATOM 5358 HB2 LEU B 139 78.239 81.741 42.457 1.00 47.11 H -ATOM 5359 HB3 LEU B 139 77.067 82.186 43.688 1.00 47.11 H -ATOM 5360 HG LEU B 139 79.893 83.316 43.394 1.00 61.28 H -ATOM 5361 HD11 LEU B 139 78.742 85.355 42.694 1.00 75.09 H -ATOM 5362 HD12 LEU B 139 78.341 84.013 41.615 1.00 75.09 H -ATOM 5363 HD13 LEU B 139 77.169 84.544 42.841 1.00 75.09 H -ATOM 5364 HD21 LEU B 139 79.135 85.005 45.046 1.00 65.12 H -ATOM 5365 HD22 LEU B 139 77.633 84.091 45.285 1.00 65.12 H -ATOM 5366 HD23 LEU B 139 79.204 83.386 45.746 1.00 65.12 H -ATOM 5367 N ILE B 140 77.043 79.120 44.596 1.00 33.60 N -ATOM 5368 CA ILE B 140 76.323 77.891 44.269 1.00 33.27 C -ATOM 5369 C ILE B 140 74.834 78.201 44.330 1.00 36.03 C -ATOM 5370 O ILE B 140 74.399 78.886 45.253 1.00 37.67 O -ATOM 5371 CB ILE B 140 76.686 76.766 45.262 1.00 37.49 C -ATOM 5372 CG1 ILE B 140 78.213 76.611 45.440 1.00 40.23 C -ATOM 5373 CG2 ILE B 140 76.043 75.441 44.813 1.00 41.50 C -ATOM 5374 CD1 ILE B 140 78.627 75.518 46.425 1.00 40.82 C -ATOM 5375 H ILE B 140 76.759 79.600 45.437 1.00 40.32 H -ATOM 5376 HA ILE B 140 76.577 77.567 43.260 1.00 39.92 H -ATOM 5377 HB ILE B 140 76.270 77.029 46.234 1.00 44.99 H -ATOM 5378 HG12 ILE B 140 78.673 76.408 44.475 1.00 48.27 H -ATOM 5379 HG13 ILE B 140 78.629 77.540 45.823 1.00 48.27 H -ATOM 5380 HG21 ILE B 140 76.145 74.684 45.590 1.00 49.80 H -ATOM 5381 HG22 ILE B 140 74.978 75.556 44.616 1.00 49.80 H -ATOM 5382 HG23 ILE B 140 76.522 75.087 43.902 1.00 49.80 H -ATOM 5383 HD11 ILE B 140 79.705 75.560 46.572 1.00 48.98 H -ATOM 5384 HD12 ILE B 140 78.136 75.676 47.381 1.00 48.98 H -ATOM 5385 HD13 ILE B 140 78.364 74.538 46.038 1.00 48.98 H -ATOM 5386 N SER B 141 74.020 77.698 43.410 1.00 38.66 N -ATOM 5387 CA SER B 141 72.584 77.990 43.409 1.00 43.42 C -ATOM 5388 C SER B 141 71.732 76.874 42.834 1.00 41.59 C -ATOM 5389 O SER B 141 72.202 76.014 42.099 1.00 39.88 O -ATOM 5390 CB SER B 141 72.314 79.309 42.675 1.00 47.36 C -ATOM 5391 OG SER B 141 72.572 79.214 41.291 1.00 46.70 O -ATOM 5392 H SER B 141 74.402 77.136 42.665 1.00 46.39 H -ATOM 5393 HA SER B 141 72.249 78.117 44.438 1.00 52.10 H -ATOM 5394 HB2 SER B 141 71.271 79.591 42.813 1.00 56.83 H -ATOM 5395 HB3 SER B 141 72.940 80.092 43.103 1.00 56.83 H -ATOM 5396 HG SER B 141 71.769 78.906 40.866 1.00 56.04 H -ATOM 5397 N ASP B 142 70.440 76.932 43.143 1.00 42.79 N -ATOM 5398 CA ASP B 142 69.390 76.167 42.485 1.00 43.47 C -ATOM 5399 C ASP B 142 69.463 74.654 42.751 1.00 42.39 C -ATOM 5400 O ASP B 142 69.514 73.848 41.825 1.00 42.06 O -ATOM 5401 CB ASP B 142 69.298 76.564 40.999 1.00 45.75 C -ATOM 5402 CG ASP B 142 69.344 78.080 40.814 1.00 45.67 C -ATOM 5403 OD1 ASP B 142 68.454 78.770 41.353 1.00 46.59 O -ATOM 5404 OD2 ASP B 142 70.297 78.574 40.172 1.00 43.92 O -ATOM 5405 H ASP B 142 70.161 77.547 43.892 1.00 51.34 H -ATOM 5406 HA ASP B 142 68.457 76.504 42.935 1.00 52.16 H -ATOM 5407 HB2 ASP B 142 70.120 76.110 40.448 1.00 54.90 H -ATOM 5408 HB3 ASP B 142 68.368 76.182 40.580 1.00 54.90 H -ATOM 5409 N PHE B 143 69.435 74.262 44.028 1.00 36.17 N -ATOM 5410 CA PHE B 143 69.559 72.859 44.435 1.00 33.42 C -ATOM 5411 C PHE B 143 68.568 72.414 45.518 1.00 31.39 C -ATOM 5412 O PHE B 143 68.018 73.226 46.261 1.00 36.34 O -ATOM 5413 CB PHE B 143 71.009 72.593 44.869 1.00 32.54 C -ATOM 5414 CG PHE B 143 71.560 73.534 45.926 1.00 33.22 C -ATOM 5415 CD1 PHE B 143 71.276 73.326 47.287 1.00 33.09 C -ATOM 5416 CD2 PHE B 143 72.369 74.619 45.551 1.00 33.88 C -ATOM 5417 CE1 PHE B 143 71.784 74.203 48.261 1.00 29.49 C -ATOM 5418 CE2 PHE B 143 72.875 75.494 46.525 1.00 35.65 C -ATOM 5419 CZ PHE B 143 72.571 75.297 47.879 1.00 30.12 C -ATOM 5420 H PHE B 143 69.454 74.963 44.753 1.00 43.41 H -ATOM 5421 HA PHE B 143 69.364 72.222 43.573 1.00 40.11 H -ATOM 5422 HB2 PHE B 143 71.102 71.570 45.230 1.00 39.05 H -ATOM 5423 HB3 PHE B 143 71.636 72.665 43.980 1.00 39.05 H -ATOM 5424 HD1 PHE B 143 70.674 72.483 47.593 1.00 39.71 H -ATOM 5425 HD2 PHE B 143 72.602 74.781 44.510 1.00 40.65 H -ATOM 5426 HE1 PHE B 143 71.571 74.035 49.305 1.00 35.39 H -ATOM 5427 HE2 PHE B 143 73.505 76.322 46.235 1.00 42.78 H -ATOM 5428 HZ PHE B 143 72.966 75.965 48.630 1.00 36.14 H -ATOM 5429 N TYR B 144 68.431 71.091 45.611 1.00 27.44 N -ATOM 5430 CA TYR B 144 68.028 70.289 46.771 1.00 22.90 C -ATOM 5431 C TYR B 144 68.861 68.995 46.755 1.00 22.63 C -ATOM 5432 O TYR B 144 69.232 68.548 45.670 1.00 26.68 O -ATOM 5433 CB TYR B 144 66.547 69.907 46.686 1.00 20.85 C -ATOM 5434 CG TYR B 144 65.601 70.969 47.170 1.00 20.54 C -ATOM 5435 CD1 TYR B 144 65.161 71.968 46.289 1.00 32.45 C -ATOM 5436 CD2 TYR B 144 65.123 70.926 48.491 1.00 21.60 C -ATOM 5437 CE1 TYR B 144 64.233 72.929 46.728 1.00 40.74 C -ATOM 5438 CE2 TYR B 144 64.201 71.889 48.933 1.00 33.01 C -ATOM 5439 CZ TYR B 144 63.757 72.898 48.053 1.00 43.31 C -ATOM 5440 OH TYR B 144 62.868 73.831 48.480 1.00 47.40 O -ATOM 5441 H TYR B 144 68.857 70.552 44.872 1.00 32.93 H -ATOM 5442 HA TYR B 144 68.216 70.840 47.692 1.00 27.48 H -ATOM 5443 HB2 TYR B 144 66.299 69.643 45.659 1.00 25.02 H -ATOM 5444 HB3 TYR B 144 66.374 69.013 47.285 1.00 25.02 H -ATOM 5445 HD1 TYR B 144 65.520 71.987 45.272 1.00 38.94 H -ATOM 5446 HD2 TYR B 144 65.452 70.150 49.165 1.00 25.92 H -ATOM 5447 HE1 TYR B 144 63.865 73.678 46.043 1.00 48.89 H -ATOM 5448 HE2 TYR B 144 63.828 71.865 49.946 1.00 39.61 H -ATOM 5449 HH TYR B 144 62.936 74.644 47.976 1.00 56.88 H -ATOM 5450 N PRO B 145 69.125 68.335 47.894 1.00 19.99 N -ATOM 5451 CA PRO B 145 68.782 68.727 49.260 1.00 24.92 C -ATOM 5452 C PRO B 145 69.666 69.856 49.784 1.00 26.34 C -ATOM 5453 O PRO B 145 70.651 70.214 49.148 1.00 26.40 O -ATOM 5454 CB PRO B 145 68.968 67.463 50.109 1.00 31.22 C -ATOM 5455 CG PRO B 145 68.991 66.326 49.091 1.00 36.02 C -ATOM 5456 CD PRO B 145 69.667 66.992 47.907 1.00 26.47 C -ATOM 5457 HA PRO B 145 67.737 69.033 49.302 1.00 29.90 H -ATOM 5458 HB2 PRO B 145 69.926 67.490 50.627 1.00 37.46 H -ATOM 5459 HB3 PRO B 145 68.159 67.336 50.826 1.00 37.46 H -ATOM 5460 HG2 PRO B 145 69.552 65.464 49.452 1.00 43.23 H -ATOM 5461 HG3 PRO B 145 67.974 66.043 48.823 1.00 43.23 H -ATOM 5462 HD2 PRO B 145 70.744 67.035 48.071 1.00 31.76 H -ATOM 5463 HD3 PRO B 145 69.446 66.441 46.994 1.00 31.76 H -ATOM 5464 N GLY B 146 69.327 70.409 50.948 1.00 21.02 N -ATOM 5465 CA GLY B 146 69.942 71.628 51.484 1.00 17.51 C -ATOM 5466 C GLY B 146 71.357 71.476 52.034 1.00 13.32 C -ATOM 5467 O GLY B 146 72.015 72.474 52.293 1.00 28.48 O -ATOM 5468 H GLY B 146 68.527 70.039 51.437 1.00 25.22 H -ATOM 5469 HA2 GLY B 146 69.967 72.387 50.703 1.00 21.01 H -ATOM 5470 HA3 GLY B 146 69.314 72.002 52.291 1.00 21.01 H -ATOM 5471 N ALA B 147 71.857 70.262 52.221 1.00 2.66 N -ATOM 5472 CA ALA B 147 73.096 69.997 52.950 1.00 40.84 C -ATOM 5473 C ALA B 147 74.414 70.228 52.169 1.00 18.05 C -ATOM 5474 O ALA B 147 75.442 69.633 52.503 1.00 35.12 O -ATOM 5475 CB ALA B 147 72.988 68.587 53.527 1.00 37.76 C -ATOM 5476 H ALA B 147 71.286 69.472 51.959 1.00 3.19 H -ATOM 5477 HA ALA B 147 73.132 70.684 53.794 1.00 49.01 H -ATOM 5478 HB1 ALA B 147 73.818 68.395 54.201 1.00 45.31 H -ATOM 5479 HB2 ALA B 147 72.064 68.487 54.086 1.00 45.31 H -ATOM 5480 HB3 ALA B 147 73.004 67.855 52.727 1.00 45.31 H -ATOM 5481 N VAL B 148 74.423 71.080 51.137 1.00 17.29 N -ATOM 5482 CA VAL B 148 75.638 71.439 50.371 1.00 17.60 C -ATOM 5483 C VAL B 148 76.783 71.819 51.307 1.00 21.28 C -ATOM 5484 O VAL B 148 76.568 72.514 52.294 1.00 26.61 O -ATOM 5485 CB VAL B 148 75.360 72.600 49.400 1.00 23.37 C -ATOM 5486 CG1 VAL B 148 76.624 73.154 48.734 1.00 26.10 C -ATOM 5487 CG2 VAL B 148 74.433 72.138 48.277 1.00 27.79 C -ATOM 5488 H VAL B 148 73.567 71.578 50.942 1.00 20.75 H -ATOM 5489 HA VAL B 148 75.954 70.574 49.788 1.00 21.11 H -ATOM 5490 HB VAL B 148 74.877 73.413 49.940 1.00 28.05 H -ATOM 5491 HG11 VAL B 148 76.349 73.899 47.989 1.00 31.32 H -ATOM 5492 HG12 VAL B 148 77.262 73.644 49.468 1.00 31.32 H -ATOM 5493 HG13 VAL B 148 77.176 72.352 48.246 1.00 31.32 H -ATOM 5494 HG21 VAL B 148 74.230 72.966 47.599 1.00 33.35 H -ATOM 5495 HG22 VAL B 148 74.911 71.341 47.710 1.00 33.35 H -ATOM 5496 HG23 VAL B 148 73.486 71.782 48.680 1.00 33.35 H -ATOM 5497 N THR B 149 77.995 71.347 51.036 1.00 24.95 N -ATOM 5498 CA THR B 149 79.132 71.504 51.950 1.00 27.10 C -ATOM 5499 C THR B 149 80.425 71.732 51.179 1.00 29.08 C -ATOM 5500 O THR B 149 80.633 71.150 50.119 1.00 35.13 O -ATOM 5501 CB THR B 149 79.222 70.278 52.867 1.00 34.81 C -ATOM 5502 OG1 THR B 149 78.082 70.228 53.694 1.00 37.93 O -ATOM 5503 CG2 THR B 149 80.440 70.282 53.790 1.00 35.32 C -ATOM 5504 H THR B 149 78.136 70.810 50.193 1.00 29.94 H -ATOM 5505 HA THR B 149 78.977 72.378 52.582 1.00 32.52 H -ATOM 5506 HB THR B 149 79.250 69.377 52.255 1.00 41.78 H -ATOM 5507 HG1 THR B 149 77.309 70.145 53.133 1.00 45.51 H -ATOM 5508 HG21 THR B 149 80.378 69.442 54.480 1.00 42.39 H -ATOM 5509 HG22 THR B 149 81.355 70.171 53.209 1.00 42.39 H -ATOM 5510 HG23 THR B 149 80.478 71.209 54.358 1.00 42.39 H -ATOM 5511 N VAL B 150 81.294 72.602 51.686 1.00 29.13 N -ATOM 5512 CA VAL B 150 82.382 73.211 50.913 1.00 34.42 C -ATOM 5513 C VAL B 150 83.644 73.349 51.758 1.00 37.28 C -ATOM 5514 O VAL B 150 83.548 73.625 52.951 1.00 41.90 O -ATOM 5515 CB VAL B 150 81.911 74.581 50.398 1.00 46.34 C -ATOM 5516 CG1 VAL B 150 82.979 75.327 49.607 1.00 52.75 C -ATOM 5517 CG2 VAL B 150 80.688 74.453 49.481 1.00 46.59 C -ATOM 5518 H VAL B 150 81.105 72.997 52.595 1.00 34.95 H -ATOM 5519 HA VAL B 150 82.619 72.583 50.055 1.00 41.30 H -ATOM 5520 HB VAL B 150 81.632 75.201 51.249 1.00 55.61 H -ATOM 5521 HG11 VAL B 150 82.586 76.284 49.263 1.00 63.30 H -ATOM 5522 HG12 VAL B 150 83.849 75.537 50.227 1.00 63.30 H -ATOM 5523 HG13 VAL B 150 83.262 74.736 48.737 1.00 63.30 H -ATOM 5524 HG21 VAL B 150 80.438 75.423 49.054 1.00 55.91 H -ATOM 5525 HG22 VAL B 150 80.895 73.752 48.674 1.00 55.91 H -ATOM 5526 HG23 VAL B 150 79.822 74.113 50.046 1.00 55.91 H -ATOM 5527 N ALA B 151 84.824 73.192 51.155 1.00 48.56 N -ATOM 5528 CA ALA B 151 86.107 73.320 51.852 1.00 64.61 C -ATOM 5529 C ALA B 151 87.201 73.904 50.945 1.00 78.80 C -ATOM 5530 O ALA B 151 87.699 73.240 50.034 1.00 81.34 O -ATOM 5531 CB ALA B 151 86.515 71.955 52.426 1.00 71.53 C -ATOM 5532 H ALA B 151 84.831 72.979 50.169 1.00 58.27 H -ATOM 5533 HA ALA B 151 85.986 74.001 52.693 1.00 77.53 H -ATOM 5534 HB1 ALA B 151 87.449 72.055 52.976 1.00 85.84 H -ATOM 5535 HB2 ALA B 151 85.743 71.595 53.104 1.00 85.84 H -ATOM 5536 HB3 ALA B 151 86.656 71.230 51.626 1.00 85.84 H -ATOM 5537 N TRP B 152 87.579 75.156 51.201 1.00 84.59 N -ATOM 5538 CA TRP B 152 88.618 75.857 50.448 1.00 93.42 C -ATOM 5539 C TRP B 152 90.028 75.382 50.782 1.00103.01 C -ATOM 5540 O TRP B 152 90.325 74.964 51.900 1.00104.17 O -ATOM 5541 CB TRP B 152 88.509 77.365 50.680 1.00 97.95 C -ATOM 5542 CG TRP B 152 87.570 78.040 49.752 1.00 96.09 C -ATOM 5543 CD1 TRP B 152 86.332 78.480 50.061 1.00 91.43 C -ATOM 5544 CD2 TRP B 152 87.761 78.322 48.337 1.00 98.24 C -ATOM 5545 NE1 TRP B 152 85.749 79.031 48.938 1.00 85.68 N -ATOM 5546 CE2 TRP B 152 86.581 78.945 47.844 1.00 91.83 C -ATOM 5547 CE3 TRP B 152 88.807 78.106 47.417 1.00110.04 C -ATOM 5548 CZ2 TRP B 152 86.446 79.333 46.507 1.00 89.58 C -ATOM 5549 CZ3 TRP B 152 88.656 78.443 46.059 1.00105.30 C -ATOM 5550 CH2 TRP B 152 87.480 79.055 45.603 1.00 97.49 C -ATOM 5551 H TRP B 152 87.130 75.647 51.959 1.00101.51 H -ATOM 5552 HA TRP B 152 88.466 75.674 49.385 1.00112.10 H -ATOM 5553 HB2 TRP B 152 88.200 77.564 51.705 1.00117.54 H -ATOM 5554 HB3 TRP B 152 89.483 77.829 50.528 1.00117.54 H -ATOM 5555 HD1 TRP B 152 85.869 78.406 51.034 1.00109.72 H -ATOM 5556 HE1 TRP B 152 84.819 79.422 48.935 1.00102.82 H -ATOM 5557 HE3 TRP B 152 89.723 77.650 47.763 1.00132.05 H -ATOM 5558 HZ2 TRP B 152 85.551 79.840 46.181 1.00107.50 H -ATOM 5559 HZ3 TRP B 152 89.447 78.234 45.355 1.00126.36 H -ATOM 5560 HH2 TRP B 152 87.372 79.322 44.563 1.00116.99 H -ATOM 5561 N LYS B 153 90.910 75.530 49.798 1.00109.91 N -ATOM 5562 CA LYS B 153 92.336 75.251 49.829 1.00117.93 C -ATOM 5563 C LYS B 153 93.118 76.400 49.176 1.00122.88 C -ATOM 5564 O LYS B 153 92.811 76.827 48.063 1.00117.79 O -ATOM 5565 CB LYS B 153 92.619 73.936 49.091 1.00124.35 C -ATOM 5566 CG LYS B 153 91.885 72.691 49.616 1.00117.01 C -ATOM 5567 CD LYS B 153 92.051 71.534 48.620 1.00121.90 C -ATOM 5568 CE LYS B 153 91.403 70.245 49.138 1.00114.60 C -ATOM 5569 NZ LYS B 153 91.454 69.155 48.128 1.00108.02 N -ATOM 5570 H LYS B 153 90.548 75.807 48.897 1.00131.89 H -ATOM 5571 HA LYS B 153 92.647 75.146 50.868 1.00141.52 H -ATOM 5572 HB2 LYS B 153 92.354 74.075 48.044 1.00149.22 H -ATOM 5573 HB3 LYS B 153 93.691 73.749 49.131 1.00149.22 H -ATOM 5574 HG2 LYS B 153 92.301 72.410 50.582 1.00140.42 H -ATOM 5575 HG3 LYS B 153 90.822 72.894 49.731 1.00140.42 H -ATOM 5576 HD2 LYS B 153 91.581 71.812 47.679 1.00146.28 H -ATOM 5577 HD3 LYS B 153 93.110 71.358 48.445 1.00146.28 H -ATOM 5578 HE2 LYS B 153 91.927 69.939 50.041 1.00137.52 H -ATOM 5579 HE3 LYS B 153 90.370 70.453 49.411 1.00137.52 H -ATOM 5580 HZ1 LYS B 153 91.141 68.284 48.529 1.00129.62 H -ATOM 5581 HZ2 LYS B 153 90.859 69.330 47.333 1.00129.62 H -ATOM 5582 HZ3 LYS B 153 92.393 69.007 47.792 1.00129.62 H -ATOM 5583 N ALA B 154 94.153 76.887 49.853 1.00126.71 N -ATOM 5584 CA ALA B 154 95.141 77.813 49.306 1.00131.66 C -ATOM 5585 C ALA B 154 96.076 77.011 48.400 1.00137.17 C -ATOM 5586 O ALA B 154 96.886 76.226 48.889 1.00144.40 O -ATOM 5587 CB ALA B 154 95.859 78.510 50.466 1.00132.33 C -ATOM 5588 H ALA B 154 94.357 76.475 50.752 1.00152.05 H -ATOM 5589 HA ALA B 154 94.645 78.566 48.695 1.00157.99 H -ATOM 5590 HB1 ALA B 154 96.543 79.257 50.071 1.00158.80 H -ATOM 5591 HB2 ALA B 154 95.136 79.012 51.107 1.00158.80 H -ATOM 5592 HB3 ALA B 154 96.415 77.786 51.057 1.00158.80 H -ATOM 5593 N ASP B 155 95.872 77.122 47.084 1.00136.13 N -ATOM 5594 CA ASP B 155 96.192 76.063 46.126 1.00145.74 C -ATOM 5595 C ASP B 155 95.745 74.696 46.675 1.00144.30 C -ATOM 5596 O ASP B 155 94.556 74.396 46.614 1.00133.97 O -ATOM 5597 CB ASP B 155 97.639 76.116 45.624 1.00140.43 C -ATOM 5598 CG ASP B 155 97.883 77.285 44.664 1.00153.78 C -ATOM 5599 OD1 ASP B 155 97.413 77.200 43.508 1.00149.31 O -ATOM 5600 OD2 ASP B 155 98.622 78.220 45.041 1.00147.59 O -ATOM 5601 H ASP B 155 95.283 77.871 46.755 1.00163.36 H -ATOM 5602 HA ASP B 155 95.563 76.229 45.252 1.00174.89 H -ATOM 5603 HB2 ASP B 155 98.324 76.166 46.469 1.00168.51 H -ATOM 5604 HB3 ASP B 155 97.853 75.190 45.091 1.00168.51 H -ATOM 5605 N SER B 156 96.654 73.898 47.246 1.00147.09 N -ATOM 5606 CA SER B 156 96.395 72.573 47.835 1.00150.21 C -ATOM 5607 C SER B 156 96.106 72.538 49.352 1.00141.09 C -ATOM 5608 O SER B 156 95.587 71.533 49.834 1.00135.81 O -ATOM 5609 CB SER B 156 97.602 71.671 47.540 1.00149.58 C -ATOM 5610 OG SER B 156 98.781 72.172 48.154 1.00142.56 O -ATOM 5611 H SER B 156 97.606 74.231 47.288 1.00176.51 H -ATOM 5612 HA SER B 156 95.532 72.133 47.336 1.00180.25 H -ATOM 5613 HB2 SER B 156 97.401 70.665 47.905 1.00179.50 H -ATOM 5614 HB3 SER B 156 97.750 71.618 46.462 1.00179.50 H -ATOM 5615 HG SER B 156 99.508 71.595 47.918 1.00171.07 H -ATOM 5616 N SER B 157 96.415 73.583 50.128 1.00137.37 N -ATOM 5617 CA SER B 157 96.342 73.550 51.602 1.00131.88 C -ATOM 5618 C SER B 157 94.967 73.973 52.145 1.00131.75 C -ATOM 5619 O SER B 157 94.649 75.155 52.008 1.00125.47 O -ATOM 5620 CB SER B 157 97.412 74.496 52.155 1.00131.17 C -ATOM 5621 OG SER B 157 97.294 74.632 53.559 1.00132.88 O -ATOM 5622 H SER B 157 96.793 74.408 49.686 1.00164.85 H -ATOM 5623 HA SER B 157 96.585 72.549 51.958 1.00158.26 H -ATOM 5624 HB2 SER B 157 98.396 74.101 51.910 1.00157.40 H -ATOM 5625 HB3 SER B 157 97.311 75.477 51.692 1.00157.40 H -ATOM 5626 HG SER B 157 96.597 75.263 53.741 1.00159.46 H -ATOM 5627 N PRO B 158 94.156 73.104 52.794 1.00130.52 N -ATOM 5628 CA PRO B 158 92.844 73.477 53.343 1.00124.79 C -ATOM 5629 C PRO B 158 92.915 74.669 54.311 1.00122.66 C -ATOM 5630 O PRO B 158 93.810 74.721 55.157 1.00129.63 O -ATOM 5631 CB PRO B 158 92.285 72.222 54.019 1.00124.10 C -ATOM 5632 CG PRO B 158 92.998 71.086 53.295 1.00128.53 C -ATOM 5633 CD PRO B 158 94.374 71.680 52.996 1.00129.95 C -ATOM 5634 HA PRO B 158 92.197 73.725 52.501 1.00149.75 H -ATOM 5635 HB2 PRO B 158 92.561 72.204 55.073 1.00148.92 H -ATOM 5636 HB3 PRO B 158 91.203 72.152 53.909 1.00148.92 H -ATOM 5637 HG2 PRO B 158 93.069 70.193 53.915 1.00154.23 H -ATOM 5638 HG3 PRO B 158 92.481 70.863 52.363 1.00154.23 H -ATOM 5639 HD2 PRO B 158 95.029 71.538 53.855 1.00155.94 H -ATOM 5640 HD3 PRO B 158 94.801 71.195 52.119 1.00155.94 H -ATOM 5641 N VAL B 159 92.012 75.644 54.173 1.00114.61 N -ATOM 5642 CA VAL B 159 92.173 76.987 54.780 1.00116.45 C -ATOM 5643 C VAL B 159 91.382 77.225 56.075 1.00110.23 C -ATOM 5644 O VAL B 159 90.407 76.533 56.370 1.00107.02 O -ATOM 5645 CB VAL B 159 91.863 78.106 53.769 1.00120.51 C -ATOM 5646 CG1 VAL B 159 92.663 77.952 52.478 1.00126.69 C -ATOM 5647 CG2 VAL B 159 90.380 78.172 53.412 1.00115.20 C -ATOM 5648 H VAL B 159 91.280 75.516 53.490 1.00137.53 H -ATOM 5649 HA VAL B 159 93.225 77.108 55.039 1.00139.74 H -ATOM 5650 HB VAL B 159 92.142 79.062 54.211 1.00144.61 H -ATOM 5651 HG11 VAL B 159 92.537 78.840 51.860 1.00152.03 H -ATOM 5652 HG12 VAL B 159 93.718 77.831 52.717 1.00152.03 H -ATOM 5653 HG13 VAL B 159 92.308 77.082 51.928 1.00152.03 H -ATOM 5654 HG21 VAL B 159 90.208 78.955 52.675 1.00138.24 H -ATOM 5655 HG22 VAL B 159 90.047 77.211 53.023 1.00138.24 H -ATOM 5656 HG23 VAL B 159 89.789 78.400 54.297 1.00138.24 H -ATOM 5657 N LYS B 160 91.785 78.267 56.816 1.00111.16 N -ATOM 5658 CA LYS B 160 91.057 78.847 57.965 1.00112.46 C -ATOM 5659 C LYS B 160 91.325 80.353 58.157 1.00112.10 C -ATOM 5660 O LYS B 160 90.471 81.063 58.677 1.00105.95 O -ATOM 5661 CB LYS B 160 91.370 78.044 59.246 1.00104.96 C -ATOM 5662 CG LYS B 160 90.111 77.600 60.008 1.00102.91 C -ATOM 5663 CD LYS B 160 89.254 78.757 60.539 1.00103.72 C -ATOM 5664 CE LYS B 160 88.135 78.211 61.430 1.00106.98 C -ATOM 5665 NZ LYS B 160 87.393 79.304 62.098 1.00105.66 N -ATOM 5666 H LYS B 160 92.637 78.718 56.520 1.00133.39 H -ATOM 5667 HA LYS B 160 89.992 78.753 57.759 1.00134.95 H -ATOM 5668 HB2 LYS B 160 91.921 77.140 58.991 1.00125.95 H -ATOM 5669 HB3 LYS B 160 92.006 78.628 59.909 1.00125.95 H -ATOM 5670 HG2 LYS B 160 89.503 76.973 59.356 1.00123.50 H -ATOM 5671 HG3 LYS B 160 90.433 76.990 60.851 1.00123.50 H -ATOM 5672 HD2 LYS B 160 89.887 79.428 61.119 1.00124.46 H -ATOM 5673 HD3 LYS B 160 88.809 79.304 59.709 1.00124.46 H -ATOM 5674 HE2 LYS B 160 87.459 77.613 60.821 1.00128.38 H -ATOM 5675 HE3 LYS B 160 88.577 77.556 62.179 1.00128.38 H -ATOM 5676 HZ1 LYS B 160 86.664 78.936 62.685 1.00126.79 H -ATOM 5677 HZ2 LYS B 160 88.000 79.854 62.681 1.00126.79 H -ATOM 5678 HZ3 LYS B 160 86.964 79.920 61.428 1.00126.79 H -ATOM 5679 N ALA B 161 92.460 80.872 57.687 1.00111.59 N -ATOM 5680 CA ALA B 161 92.722 82.313 57.606 1.00116.78 C -ATOM 5681 C ALA B 161 91.818 83.006 56.562 1.00105.23 C -ATOM 5682 O ALA B 161 91.598 82.474 55.475 1.00104.35 O -ATOM 5683 CB ALA B 161 94.207 82.528 57.278 1.00116.05 C -ATOM 5684 H ALA B 161 93.166 80.249 57.324 1.00133.90 H -ATOM 5685 HA ALA B 161 92.524 82.759 58.580 1.00140.13 H -ATOM 5686 HB1 ALA B 161 94.428 83.594 57.266 1.00139.27 H -ATOM 5687 HB2 ALA B 161 94.828 82.053 58.037 1.00139.27 H -ATOM 5688 HB3 ALA B 161 94.441 82.107 56.301 1.00139.27 H -ATOM 5689 N GLY B 162 91.291 84.194 56.874 1.00 99.05 N -ATOM 5690 CA GLY B 162 90.467 84.994 55.956 1.00 88.18 C -ATOM 5691 C GLY B 162 89.072 84.437 55.647 1.00 85.28 C -ATOM 5692 O GLY B 162 88.341 85.050 54.874 1.00 83.30 O -ATOM 5693 H GLY B 162 91.518 84.595 57.772 1.00118.86 H -ATOM 5694 HA2 GLY B 162 90.344 85.994 56.370 1.00105.82 H -ATOM 5695 HA3 GLY B 162 90.999 85.083 55.009 1.00105.82 H -ATOM 5696 N VAL B 163 88.700 83.286 56.213 1.00 79.45 N -ATOM 5697 CA VAL B 163 87.467 82.545 55.905 1.00 73.03 C -ATOM 5698 C VAL B 163 86.215 83.248 56.397 1.00 59.99 C -ATOM 5699 O VAL B 163 86.112 83.596 57.571 1.00 61.18 O -ATOM 5700 CB VAL B 163 87.521 81.132 56.520 1.00 82.42 C -ATOM 5701 CG1 VAL B 163 86.174 80.398 56.609 1.00 74.11 C -ATOM 5702 CG2 VAL B 163 88.437 80.266 55.663 1.00 94.75 C -ATOM 5703 H VAL B 163 89.346 82.861 56.862 1.00 95.35 H -ATOM 5704 HA VAL B 163 87.372 82.442 54.825 1.00 87.64 H -ATOM 5705 HB VAL B 163 87.931 81.192 57.527 1.00 98.91 H -ATOM 5706 HG11 VAL B 163 86.330 79.377 56.954 1.00 88.93 H -ATOM 5707 HG12 VAL B 163 85.518 80.886 57.328 1.00 88.93 H -ATOM 5708 HG13 VAL B 163 85.690 80.373 55.634 1.00 88.93 H -ATOM 5709 HG21 VAL B 163 88.512 79.270 56.096 1.00113.70 H -ATOM 5710 HG22 VAL B 163 88.031 80.179 54.657 1.00113.70 H -ATOM 5711 HG23 VAL B 163 89.431 80.707 55.609 1.00113.70 H -ATOM 5712 N GLU B 164 85.208 83.311 55.531 1.00 51.75 N -ATOM 5713 CA GLU B 164 83.808 83.408 55.911 1.00 43.65 C -ATOM 5714 C GLU B 164 82.961 82.451 55.071 1.00 39.31 C -ATOM 5715 O GLU B 164 83.168 82.309 53.866 1.00 46.97 O -ATOM 5716 CB GLU B 164 83.340 84.862 55.804 1.00 45.18 C -ATOM 5717 CG GLU B 164 81.845 85.100 56.059 1.00 34.82 C -ATOM 5718 CD GLU B 164 81.382 84.708 57.465 1.00 40.28 C -ATOM 5719 OE1 GLU B 164 81.540 83.533 57.855 1.00 42.31 O -ATOM 5720 OE2 GLU B 164 80.837 85.576 58.176 1.00 44.70 O -ATOM 5721 H GLU B 164 85.392 83.143 54.554 1.00 62.11 H -ATOM 5722 HA GLU B 164 83.716 83.094 56.951 1.00 52.38 H -ATOM 5723 HB2 GLU B 164 83.907 85.466 56.510 1.00 54.22 H -ATOM 5724 HB3 GLU B 164 83.566 85.224 54.802 1.00 54.22 H -ATOM 5725 HG2 GLU B 164 81.649 86.159 55.901 1.00 41.78 H -ATOM 5726 HG3 GLU B 164 81.259 84.556 55.320 1.00 41.78 H -ATOM 5727 N THR B 165 81.970 81.832 55.704 1.00 33.16 N -ATOM 5728 CA THR B 165 81.043 80.879 55.088 1.00 30.53 C -ATOM 5729 C THR B 165 79.626 81.240 55.497 1.00 28.63 C -ATOM 5730 O THR B 165 79.173 80.919 56.594 1.00 34.54 O -ATOM 5731 CB THR B 165 81.379 79.438 55.488 1.00 33.34 C -ATOM 5732 OG1 THR B 165 82.687 79.126 55.068 1.00 40.92 O -ATOM 5733 CG2 THR B 165 80.440 78.431 54.823 1.00 30.87 C -ATOM 5734 H THR B 165 81.814 82.083 56.668 1.00 39.79 H -ATOM 5735 HA THR B 165 81.115 80.938 54.003 1.00 36.63 H -ATOM 5736 HB THR B 165 81.319 79.332 56.571 1.00 40.01 H -ATOM 5737 HG1 THR B 165 82.925 78.306 55.468 1.00 49.10 H -ATOM 5738 HG21 THR B 165 80.756 77.418 55.068 1.00 37.04 H -ATOM 5739 HG22 THR B 165 79.422 78.562 55.186 1.00 37.04 H -ATOM 5740 HG23 THR B 165 80.457 78.560 53.742 1.00 37.04 H -ATOM 5741 N THR B 166 78.933 81.970 54.629 1.00 22.19 N -ATOM 5742 CA THR B 166 77.624 82.549 54.954 1.00 17.84 C -ATOM 5743 C THR B 166 76.544 81.495 55.164 1.00 16.56 C -ATOM 5744 O THR B 166 76.668 80.352 54.722 1.00 18.68 O -ATOM 5745 CB THR B 166 77.166 83.523 53.870 1.00 23.29 C -ATOM 5746 OG1 THR B 166 77.043 82.873 52.629 1.00 27.90 O -ATOM 5747 CG2 THR B 166 78.123 84.700 53.723 1.00 29.13 C -ATOM 5748 H THR B 166 79.357 82.184 53.740 1.00 26.63 H -ATOM 5749 HA THR B 166 77.716 83.107 55.885 1.00 21.41 H -ATOM 5750 HB THR B 166 76.191 83.923 54.144 1.00 27.95 H -ATOM 5751 HG1 THR B 166 77.864 82.433 52.402 1.00 33.48 H -ATOM 5752 HG21 THR B 166 77.702 85.414 53.017 1.00 34.95 H -ATOM 5753 HG22 THR B 166 78.237 85.197 54.685 1.00 34.95 H -ATOM 5754 HG23 THR B 166 79.100 84.374 53.367 1.00 34.95 H -ATOM 5755 N THR B 167 75.436 81.892 55.789 1.00 16.11 N -ATOM 5756 CA THR B 167 74.196 81.122 55.653 1.00 19.37 C -ATOM 5757 C THR B 167 73.808 80.997 54.177 1.00 21.06 C -ATOM 5758 O THR B 167 73.906 81.974 53.437 1.00 25.13 O -ATOM 5759 CB THR B 167 73.022 81.738 56.438 1.00 19.54 C -ATOM 5760 OG1 THR B 167 71.853 80.975 56.237 1.00 22.71 O -ATOM 5761 CG2 THR B 167 72.637 83.164 56.047 1.00 23.91 C -ATOM 5762 H THR B 167 75.390 82.823 56.176 1.00 19.34 H -ATOM 5763 HA THR B 167 74.374 80.133 56.073 1.00 23.24 H -ATOM 5764 HB THR B 167 73.273 81.724 57.498 1.00 23.44 H -ATOM 5765 HG1 THR B 167 71.513 81.162 55.360 1.00 27.25 H -ATOM 5766 HG21 THR B 167 71.879 83.532 56.736 1.00 28.69 H -ATOM 5767 HG22 THR B 167 73.502 83.822 56.106 1.00 28.69 H -ATOM 5768 HG23 THR B 167 72.229 83.185 55.037 1.00 28.69 H -ATOM 5769 N PRO B 168 73.286 79.847 53.736 1.00 23.09 N -ATOM 5770 CA PRO B 168 72.534 79.764 52.498 1.00 24.72 C -ATOM 5771 C PRO B 168 71.344 80.715 52.494 1.00 23.80 C -ATOM 5772 O PRO B 168 70.867 81.135 53.550 1.00 24.19 O -ATOM 5773 CB PRO B 168 72.058 78.315 52.403 1.00 37.64 C -ATOM 5774 CG PRO B 168 73.077 77.558 53.249 1.00 25.41 C -ATOM 5775 CD PRO B 168 73.379 78.549 54.367 1.00 33.47 C -ATOM 5776 HA PRO B 168 73.200 79.992 51.666 1.00 29.66 H -ATOM 5777 HB2 PRO B 168 71.073 78.209 52.854 1.00 45.17 H -ATOM 5778 HB3 PRO B 168 72.043 77.955 51.375 1.00 45.17 H -ATOM 5779 HG2 PRO B 168 72.671 76.624 53.634 1.00 30.49 H -ATOM 5780 HG3 PRO B 168 73.978 77.378 52.665 1.00 30.49 H -ATOM 5781 HD2 PRO B 168 72.627 78.465 55.151 1.00 40.16 H -ATOM 5782 HD3 PRO B 168 74.374 78.365 54.768 1.00 40.16 H -ATOM 5783 N SER B 169 70.827 80.984 51.302 1.00 27.28 N -ATOM 5784 CA SER B 169 69.533 81.613 51.081 1.00 31.73 C -ATOM 5785 C SER B 169 68.607 80.681 50.323 1.00 33.97 C -ATOM 5786 O SER B 169 68.980 80.105 49.304 1.00 34.72 O -ATOM 5787 CB SER B 169 69.683 82.903 50.285 1.00 38.81 C -ATOM 5788 OG SER B 169 68.441 83.582 50.231 1.00 40.73 O -ATOM 5789 H SER B 169 71.287 80.584 50.498 1.00 32.74 H -ATOM 5790 HA SER B 169 69.075 81.861 52.039 1.00 38.08 H -ATOM 5791 HB2 SER B 169 70.410 83.537 50.791 1.00 46.58 H -ATOM 5792 HB3 SER B 169 70.039 82.685 49.279 1.00 46.58 H -ATOM 5793 HG SER B 169 67.805 83.113 49.690 1.00 48.87 H -ATOM 5794 N LYS B 170 67.358 80.592 50.754 1.00 32.89 N -ATOM 5795 CA LYS B 170 66.271 80.157 49.888 1.00 35.68 C -ATOM 5796 C LYS B 170 66.122 81.228 48.807 1.00 39.01 C -ATOM 5797 O LYS B 170 66.014 82.406 49.134 1.00 43.06 O -ATOM 5798 CB LYS B 170 65.049 80.002 50.799 1.00 45.57 C -ATOM 5799 CG LYS B 170 63.866 79.246 50.193 1.00 59.38 C -ATOM 5800 CD LYS B 170 62.840 78.988 51.307 1.00 64.30 C -ATOM 5801 CE LYS B 170 61.620 78.221 50.799 1.00 71.08 C -ATOM 5802 NZ LYS B 170 60.655 77.975 51.898 1.00 76.64 N -ATOM 5803 H LYS B 170 67.115 81.068 51.610 1.00 39.46 H -ATOM 5804 HA LYS B 170 66.514 79.199 49.429 1.00 42.82 H -ATOM 5805 HB2 LYS B 170 65.364 79.453 51.685 1.00 54.68 H -ATOM 5806 HB3 LYS B 170 64.711 80.986 51.122 1.00 54.68 H -ATOM 5807 HG2 LYS B 170 63.416 79.847 49.405 1.00 71.25 H -ATOM 5808 HG3 LYS B 170 64.210 78.296 49.785 1.00 71.25 H -ATOM 5809 HD2 LYS B 170 63.312 78.407 52.098 1.00 77.16 H -ATOM 5810 HD3 LYS B 170 62.515 79.942 51.720 1.00 77.16 H -ATOM 5811 HE2 LYS B 170 61.146 78.806 50.013 1.00 85.30 H -ATOM 5812 HE3 LYS B 170 61.949 77.275 50.373 1.00 85.30 H -ATOM 5813 HZ1 LYS B 170 59.846 77.470 51.571 1.00 91.96 H -ATOM 5814 HZ2 LYS B 170 61.071 77.433 52.638 1.00 91.96 H -ATOM 5815 HZ3 LYS B 170 60.329 78.840 52.300 1.00 91.96 H -ATOM 5816 N GLN B 171 66.244 80.870 47.539 1.00 44.87 N -ATOM 5817 CA GLN B 171 66.064 81.777 46.399 1.00 51.52 C -ATOM 5818 C GLN B 171 64.588 82.159 46.208 1.00 54.75 C -ATOM 5819 O GLN B 171 63.698 81.526 46.766 1.00 52.59 O -ATOM 5820 CB GLN B 171 66.630 81.094 45.141 1.00 51.72 C -ATOM 5821 CG GLN B 171 68.048 81.574 44.812 1.00 51.58 C -ATOM 5822 CD GLN B 171 68.074 82.932 44.115 1.00 58.73 C -ATOM 5823 OE1 GLN B 171 67.070 83.451 43.660 1.00 54.96 O -ATOM 5824 NE2 GLN B 171 69.222 83.549 43.984 1.00 57.32 N -ATOM 5825 H GLN B 171 66.386 79.891 47.340 1.00 53.85 H -ATOM 5826 HA GLN B 171 66.611 82.702 46.578 1.00 61.82 H -ATOM 5827 HB2 GLN B 171 66.660 80.014 45.284 1.00 62.07 H -ATOM 5828 HB3 GLN B 171 65.987 81.276 44.281 1.00 62.07 H -ATOM 5829 HG2 GLN B 171 68.641 81.616 45.726 1.00 61.89 H -ATOM 5830 HG3 GLN B 171 68.513 80.851 44.143 1.00 61.89 H -ATOM 5831 HE21 GLN B 171 69.233 84.431 43.494 1.00 68.78 H -ATOM 5832 HE22 GLN B 171 70.072 83.138 44.339 1.00 68.78 H -ATOM 5833 N SER B 172 64.294 83.145 45.360 1.00 55.51 N -ATOM 5834 CA SER B 172 62.908 83.475 44.975 1.00 58.24 C -ATOM 5835 C SER B 172 62.229 82.369 44.149 1.00 57.49 C -ATOM 5836 O SER B 172 61.004 82.317 44.089 1.00 59.29 O -ATOM 5837 CB SER B 172 62.849 84.810 44.227 1.00 56.91 C -ATOM 5838 OG SER B 172 63.219 85.874 45.087 1.00 56.35 O -ATOM 5839 H SER B 172 65.051 83.687 44.970 1.00 66.61 H -ATOM 5840 HA SER B 172 62.319 83.588 45.885 1.00 69.89 H -ATOM 5841 HB2 SER B 172 63.512 84.782 43.365 1.00 68.29 H -ATOM 5842 HB3 SER B 172 61.831 84.984 43.882 1.00 68.29 H -ATOM 5843 HG SER B 172 64.151 85.784 45.291 1.00 67.62 H -ATOM 5844 N ASN B 173 62.991 81.435 43.565 1.00 57.60 N -ATOM 5845 CA ASN B 173 62.475 80.159 43.040 1.00 59.72 C -ATOM 5846 C ASN B 173 62.282 79.076 44.130 1.00 56.60 C -ATOM 5847 O ASN B 173 61.827 77.971 43.840 1.00 56.64 O -ATOM 5848 CB ASN B 173 63.398 79.676 41.905 1.00 59.72 C -ATOM 5849 CG ASN B 173 64.798 79.281 42.341 1.00 56.22 C -ATOM 5850 OD1 ASN B 173 65.066 78.995 43.496 1.00 50.83 O -ATOM 5851 ND2 ASN B 173 65.728 79.268 41.424 1.00 52.53 N -ATOM 5852 H ASN B 173 63.991 81.568 43.580 1.00 69.12 H -ATOM 5853 HA ASN B 173 61.492 80.337 42.607 1.00 71.66 H -ATOM 5854 HB2 ASN B 173 62.947 78.811 41.421 1.00 71.66 H -ATOM 5855 HB3 ASN B 173 63.472 80.463 41.156 1.00 71.66 H -ATOM 5856 HD21 ASN B 173 66.683 79.057 41.674 1.00 63.03 H -ATOM 5857 HD22 ASN B 173 65.501 79.517 40.474 1.00 63.03 H -ATOM 5858 N ASN B 174 62.650 79.372 45.378 1.00 54.45 N -ATOM 5859 CA ASN B 174 62.590 78.510 46.556 1.00 48.69 C -ATOM 5860 C ASN B 174 63.399 77.201 46.487 1.00 46.41 C -ATOM 5861 O ASN B 174 63.195 76.295 47.296 1.00 47.17 O -ATOM 5862 CB ASN B 174 61.138 78.367 47.024 1.00 61.01 C -ATOM 5863 CG ASN B 174 60.493 79.725 47.245 1.00 71.19 C -ATOM 5864 OD1 ASN B 174 60.947 80.530 48.038 1.00 67.53 O -ATOM 5865 ND2 ASN B 174 59.423 80.026 46.552 1.00 71.92 N -ATOM 5866 H ASN B 174 62.990 80.308 45.549 1.00 65.35 H -ATOM 5867 HA ASN B 174 63.100 79.072 47.338 1.00 58.43 H -ATOM 5868 HB2 ASN B 174 60.572 77.804 46.284 1.00 73.22 H -ATOM 5869 HB3 ASN B 174 61.101 77.815 47.961 1.00 73.22 H -ATOM 5870 HD21 ASN B 174 59.002 80.930 46.689 1.00 86.31 H -ATOM 5871 HD22 ASN B 174 59.030 79.364 45.901 1.00 86.31 H -ATOM 5872 N LYS B 175 64.378 77.129 45.584 1.00 44.92 N -ATOM 5873 CA LYS B 175 65.575 76.289 45.737 1.00 39.79 C -ATOM 5874 C LYS B 175 66.565 76.983 46.675 1.00 42.29 C -ATOM 5875 O LYS B 175 66.397 78.162 46.978 1.00 47.71 O -ATOM 5876 CB LYS B 175 66.203 76.037 44.363 1.00 40.00 C -ATOM 5877 CG LYS B 175 65.237 75.331 43.401 1.00 46.89 C -ATOM 5878 CD LYS B 175 65.845 75.166 42.005 1.00 50.48 C -ATOM 5879 CE LYS B 175 64.899 74.369 41.101 1.00 53.17 C -ATOM 5880 NZ LYS B 175 65.431 74.243 39.720 1.00 42.55 N -ATOM 5881 H LYS B 175 64.452 77.889 44.924 1.00 53.91 H -ATOM 5882 HA LYS B 175 65.316 75.333 46.191 1.00 47.74 H -ATOM 5883 HB2 LYS B 175 66.520 76.986 43.931 1.00 48.00 H -ATOM 5884 HB3 LYS B 175 67.080 75.406 44.498 1.00 48.00 H -ATOM 5885 HG2 LYS B 175 64.995 74.350 43.806 1.00 56.27 H -ATOM 5886 HG3 LYS B 175 64.317 75.905 43.304 1.00 56.27 H -ATOM 5887 HD2 LYS B 175 66.021 76.151 41.578 1.00 60.58 H -ATOM 5888 HD3 LYS B 175 66.787 74.628 42.086 1.00 60.58 H -ATOM 5889 HE2 LYS B 175 64.743 73.384 41.537 1.00 63.80 H -ATOM 5890 HE3 LYS B 175 63.934 74.874 41.080 1.00 63.80 H -ATOM 5891 HZ1 LYS B 175 64.792 73.725 39.138 1.00 51.05 H -ATOM 5892 HZ2 LYS B 175 65.551 75.146 39.289 1.00 51.05 H -ATOM 5893 HZ3 LYS B 175 66.317 73.762 39.698 1.00 51.05 H -ATOM 5894 N TYR B 176 67.601 76.300 47.145 1.00 39.12 N -ATOM 5895 CA TYR B 176 68.653 76.950 47.937 1.00 34.96 C -ATOM 5896 C TYR B 176 69.811 77.454 47.070 1.00 35.23 C -ATOM 5897 O TYR B 176 70.019 77.005 45.944 1.00 37.88 O -ATOM 5898 CB TYR B 176 69.120 76.021 49.059 1.00 31.41 C -ATOM 5899 CG TYR B 176 68.108 75.885 50.177 1.00 30.89 C -ATOM 5900 CD1 TYR B 176 67.889 76.968 51.048 1.00 34.26 C -ATOM 5901 CD2 TYR B 176 67.366 74.700 50.335 1.00 32.32 C -ATOM 5902 CE1 TYR B 176 66.925 76.875 52.068 1.00 24.87 C -ATOM 5903 CE2 TYR B 176 66.404 74.600 51.356 1.00 26.13 C -ATOM 5904 CZ TYR B 176 66.177 75.692 52.217 1.00 21.31 C -ATOM 5905 OH TYR B 176 65.231 75.604 53.186 1.00 26.39 O -ATOM 5906 H TYR B 176 67.708 75.328 46.894 1.00 46.95 H -ATOM 5907 HA TYR B 176 68.239 77.831 48.426 1.00 41.95 H -ATOM 5908 HB2 TYR B 176 69.324 75.038 48.638 1.00 37.69 H -ATOM 5909 HB3 TYR B 176 70.045 76.405 49.488 1.00 37.69 H -ATOM 5910 HD1 TYR B 176 68.465 77.874 50.934 1.00 41.11 H -ATOM 5911 HD2 TYR B 176 67.524 73.869 49.665 1.00 38.79 H -ATOM 5912 HE1 TYR B 176 66.762 77.708 52.735 1.00 29.85 H -ATOM 5913 HE2 TYR B 176 65.826 73.697 51.476 1.00 31.36 H -ATOM 5914 HH TYR B 176 65.243 76.371 53.755 1.00 31.67 H -ATOM 5915 N ALA B 177 70.560 78.408 47.610 1.00 36.86 N -ATOM 5916 CA ALA B 177 71.808 78.943 47.082 1.00 35.88 C -ATOM 5917 C ALA B 177 72.751 79.305 48.243 1.00 30.68 C -ATOM 5918 O ALA B 177 72.294 79.625 49.336 1.00 31.33 O -ATOM 5919 CB ALA B 177 71.493 80.150 46.195 1.00 38.21 C -ATOM 5920 H ALA B 177 70.249 78.803 48.484 1.00 44.23 H -ATOM 5921 HA ALA B 177 72.296 78.172 46.487 1.00 43.05 H -ATOM 5922 HB1 ALA B 177 72.411 80.554 45.769 1.00 45.86 H -ATOM 5923 HB2 ALA B 177 70.824 79.853 45.389 1.00 45.86 H -ATOM 5924 HB3 ALA B 177 71.011 80.925 46.790 1.00 45.86 H -ATOM 5925 N ALA B 178 74.061 79.232 48.043 1.00 23.29 N -ATOM 5926 CA ALA B 178 75.053 79.368 49.103 1.00 17.31 C -ATOM 5927 C ALA B 178 76.355 79.935 48.556 1.00 19.03 C -ATOM 5928 O ALA B 178 76.682 79.732 47.389 1.00 28.68 O -ATOM 5929 CB ALA B 178 75.284 77.992 49.732 1.00 23.64 C -ATOM 5930 H ALA B 178 74.399 79.060 47.108 1.00 27.95 H -ATOM 5931 HA ALA B 178 74.683 80.054 49.865 1.00 20.77 H -ATOM 5932 HB1 ALA B 178 75.998 78.075 50.549 1.00 28.37 H -ATOM 5933 HB2 ALA B 178 74.349 77.598 50.125 1.00 28.37 H -ATOM 5934 HB3 ALA B 178 75.674 77.302 48.987 1.00 28.37 H -ATOM 5935 N SER B 179 77.118 80.630 49.390 1.00 17.20 N -ATOM 5936 CA SER B 179 78.332 81.313 48.941 1.00 22.73 C -ATOM 5937 C SER B 179 79.374 81.515 50.037 1.00 24.78 C -ATOM 5938 O SER B 179 79.072 81.625 51.227 1.00 32.90 O -ATOM 5939 CB SER B 179 77.957 82.637 48.263 1.00 32.59 C -ATOM 5940 OG SER B 179 76.902 83.318 48.920 1.00 34.63 O -ATOM 5941 H SER B 179 76.826 80.748 50.349 1.00 20.64 H -ATOM 5942 HA SER B 179 78.808 80.687 48.186 1.00 27.28 H -ATOM 5943 HB2 SER B 179 78.834 83.279 48.193 1.00 39.11 H -ATOM 5944 HB3 SER B 179 77.623 82.413 47.251 1.00 39.11 H -ATOM 5945 HG SER B 179 77.132 83.456 49.840 1.00 41.55 H -ATOM 5946 N SER B 180 80.626 81.604 49.622 1.00 27.37 N -ATOM 5947 CA SER B 180 81.783 81.691 50.509 1.00 35.56 C -ATOM 5948 C SER B 180 82.680 82.848 50.116 1.00 46.58 C -ATOM 5949 O SER B 180 82.762 83.197 48.942 1.00 52.48 O -ATOM 5950 CB SER B 180 82.575 80.384 50.497 1.00 46.02 C -ATOM 5951 OG SER B 180 82.958 80.039 49.180 1.00 53.51 O -ATOM 5952 H SER B 180 80.803 81.614 48.628 1.00 32.85 H -ATOM 5953 HA SER B 180 81.455 81.863 51.534 1.00 42.67 H -ATOM 5954 HB2 SER B 180 83.463 80.496 51.115 1.00 55.23 H -ATOM 5955 HB3 SER B 180 81.965 79.588 50.919 1.00 55.23 H -ATOM 5956 HG SER B 180 82.220 79.589 48.774 1.00 64.21 H -ATOM 5957 N TYR B 181 83.352 83.433 51.102 1.00 54.54 N -ATOM 5958 CA TYR B 181 84.200 84.607 50.938 1.00 61.40 C -ATOM 5959 C TYR B 181 85.529 84.396 51.657 1.00 71.71 C -ATOM 5960 O TYR B 181 85.562 83.940 52.798 1.00 72.29 O -ATOM 5961 CB TYR B 181 83.481 85.845 51.483 1.00 59.79 C -ATOM 5962 CG TYR B 181 82.235 86.271 50.724 1.00 72.69 C -ATOM 5963 CD1 TYR B 181 81.005 85.621 50.948 1.00 64.99 C -ATOM 5964 CD2 TYR B 181 82.283 87.382 49.860 1.00 72.76 C -ATOM 5965 CE1 TYR B 181 79.836 86.061 50.294 1.00 64.47 C -ATOM 5966 CE2 TYR B 181 81.114 87.833 49.214 1.00 75.91 C -ATOM 5967 CZ TYR B 181 79.888 87.171 49.421 1.00 70.25 C -ATOM 5968 OH TYR B 181 78.766 87.612 48.793 1.00 64.18 O -ATOM 5969 H TYR B 181 83.287 83.048 52.033 1.00 65.45 H -ATOM 5970 HA TYR B 181 84.410 84.767 49.881 1.00 73.68 H -ATOM 5971 HB2 TYR B 181 83.203 85.659 52.520 1.00 71.75 H -ATOM 5972 HB3 TYR B 181 84.185 86.676 51.495 1.00 71.75 H -ATOM 5973 HD1 TYR B 181 80.955 84.791 51.636 1.00 77.98 H -ATOM 5974 HD2 TYR B 181 83.214 87.903 49.698 1.00 87.31 H -ATOM 5975 HE1 TYR B 181 78.896 85.560 50.472 1.00 77.36 H -ATOM 5976 HE2 TYR B 181 81.150 88.690 48.559 1.00 91.09 H -ATOM 5977 HH TYR B 181 78.025 87.027 48.932 1.00 77.02 H -ATOM 5978 N LEU B 182 86.624 84.762 50.998 1.00 78.67 N -ATOM 5979 CA LEU B 182 87.979 84.598 51.502 1.00100.45 C -ATOM 5980 C LEU B 182 88.737 85.923 51.367 1.00104.54 C -ATOM 5981 O LEU B 182 89.249 86.269 50.301 1.00102.85 O -ATOM 5982 CB LEU B 182 88.614 83.408 50.762 1.00 98.54 C -ATOM 5983 CG LEU B 182 89.828 82.791 51.480 1.00114.50 C -ATOM 5984 CD1 LEU B 182 89.428 82.074 52.766 1.00104.08 C -ATOM 5985 CD2 LEU B 182 90.493 81.746 50.585 1.00116.02 C -ATOM 5986 H LEU B 182 86.522 85.026 50.029 1.00 94.40 H -ATOM 5987 HA LEU B 182 87.927 84.355 52.563 1.00120.54 H -ATOM 5988 HB2 LEU B 182 87.867 82.625 50.639 1.00118.25 H -ATOM 5989 HB3 LEU B 182 88.911 83.734 49.766 1.00118.25 H -ATOM 5990 HG LEU B 182 90.550 83.572 51.716 1.00137.40 H -ATOM 5991 HD11 LEU B 182 90.294 81.571 53.194 1.00124.89 H -ATOM 5992 HD12 LEU B 182 89.072 82.802 53.494 1.00124.89 H -ATOM 5993 HD13 LEU B 182 88.647 81.343 52.562 1.00124.89 H -ATOM 5994 HD21 LEU B 182 91.381 81.350 51.077 1.00139.23 H -ATOM 5995 HD22 LEU B 182 89.801 80.930 50.378 1.00139.23 H -ATOM 5996 HD23 LEU B 182 90.794 82.203 49.643 1.00139.23 H -ATOM 5997 N SER B 183 88.712 86.721 52.432 1.00 98.31 N -ATOM 5998 CA SER B 183 89.353 88.037 52.473 1.00104.59 C -ATOM 5999 C SER B 183 90.828 87.893 52.799 1.00114.14 C -ATOM 6000 O SER B 183 91.205 87.273 53.792 1.00107.49 O -ATOM 6001 CB SER B 183 88.687 88.967 53.481 1.00 97.12 C -ATOM 6002 OG SER B 183 87.330 89.126 53.132 1.00110.30 O -ATOM 6003 H SER B 183 88.287 86.372 53.278 1.00117.97 H -ATOM 6004 HA SER B 183 89.269 88.497 51.489 1.00125.50 H -ATOM 6005 HB2 SER B 183 88.764 88.546 54.482 1.00116.55 H -ATOM 6006 HB3 SER B 183 89.179 89.938 53.460 1.00116.55 H -ATOM 6007 HG SER B 183 87.306 89.445 52.228 1.00132.36 H -ATOM 6008 N LEU B 184 91.669 88.450 51.935 1.00120.40 N -ATOM 6009 CA LEU B 184 93.094 88.156 51.899 1.00128.77 C -ATOM 6010 C LEU B 184 93.891 89.408 51.528 1.00140.20 C -ATOM 6011 O LEU B 184 93.418 90.276 50.796 1.00143.23 O -ATOM 6012 CB LEU B 184 93.335 87.037 50.872 1.00128.15 C -ATOM 6013 CG LEU B 184 92.749 85.657 51.211 1.00122.76 C -ATOM 6014 CD1 LEU B 184 92.902 84.760 49.987 1.00121.50 C -ATOM 6015 CD2 LEU B 184 93.452 85.000 52.395 1.00121.77 C -ATOM 6016 H LEU B 184 91.297 89.014 51.184 1.00144.48 H -ATOM 6017 HA LEU B 184 93.437 87.826 52.879 1.00154.52 H -ATOM 6018 HB2 LEU B 184 92.904 87.363 49.926 1.00153.78 H -ATOM 6019 HB3 LEU B 184 94.409 86.925 50.722 1.00153.78 H -ATOM 6020 HG LEU B 184 91.685 85.740 51.434 1.00147.31 H -ATOM 6021 HD11 LEU B 184 92.581 83.748 50.223 1.00145.79 H -ATOM 6022 HD12 LEU B 184 92.287 85.139 49.174 1.00145.79 H -ATOM 6023 HD13 LEU B 184 93.943 84.738 49.667 1.00145.79 H -ATOM 6024 HD21 LEU B 184 93.016 84.020 52.579 1.00146.12 H -ATOM 6025 HD22 LEU B 184 94.514 84.879 52.187 1.00146.12 H -ATOM 6026 HD23 LEU B 184 93.325 85.604 53.291 1.00146.12 H -ATOM 6027 N THR B 185 95.132 89.476 52.000 1.00146.40 N -ATOM 6028 CA THR B 185 96.096 90.472 51.524 1.00155.12 C -ATOM 6029 C THR B 185 96.493 90.171 50.072 1.00180.74 C -ATOM 6030 O THR B 185 96.506 89.001 49.669 1.00149.40 O -ATOM 6031 CB THR B 185 97.367 90.506 52.390 1.00151.12 C -ATOM 6032 OG1 THR B 185 98.065 89.288 52.298 1.00154.42 O -ATOM 6033 CG2 THR B 185 97.096 90.780 53.866 1.00161.02 C -ATOM 6034 H THR B 185 95.469 88.728 52.588 1.00175.68 H -ATOM 6035 HA THR B 185 95.628 91.455 51.573 1.00186.14 H -ATOM 6036 HB THR B 185 98.018 91.293 52.014 1.00181.35 H -ATOM 6037 HG1 THR B 185 97.580 88.660 52.837 1.00185.30 H -ATOM 6038 HG21 THR B 185 98.038 90.837 54.403 1.00193.22 H -ATOM 6039 HG22 THR B 185 96.582 91.730 53.969 1.00193.22 H -ATOM 6040 HG23 THR B 185 96.485 90.000 54.306 1.00193.22 H -ATOM 6041 N PRO B 186 96.921 91.170 49.283 1.00155.18 N -ATOM 6042 CA PRO B 186 97.485 90.912 47.963 1.00162.84 C -ATOM 6043 C PRO B 186 98.684 89.954 48.003 1.00166.86 C -ATOM 6044 O PRO B 186 98.896 89.201 47.063 1.00189.57 O -ATOM 6045 CB PRO B 186 97.872 92.286 47.408 1.00163.51 C -ATOM 6046 CG PRO B 186 97.003 93.271 48.184 1.00168.16 C -ATOM 6047 CD PRO B 186 96.856 92.600 49.546 1.00152.35 C -ATOM 6048 HA PRO B 186 96.713 90.472 47.333 1.00195.41 H -ATOM 6049 HB2 PRO B 186 98.918 92.497 47.628 1.00196.21 H -ATOM 6050 HB3 PRO B 186 97.696 92.353 46.335 1.00196.21 H -ATOM 6051 HG2 PRO B 186 97.483 94.245 48.263 1.00201.80 H -ATOM 6052 HG3 PRO B 186 96.025 93.366 47.714 1.00201.80 H -ATOM 6053 HD2 PRO B 186 97.683 92.894 50.191 1.00182.82 H -ATOM 6054 HD3 PRO B 186 95.905 92.888 49.993 1.00182.82 H -ATOM 6055 N GLU B 187 99.456 89.912 49.089 1.00166.69 N -ATOM 6056 CA GLU B 187 100.572 88.964 49.246 1.00168.52 C -ATOM 6057 C GLU B 187 100.090 87.506 49.325 1.00173.38 C -ATOM 6058 O GLU B 187 100.743 86.610 48.791 1.00176.40 O -ATOM 6059 CB GLU B 187 101.402 89.319 50.493 1.00167.44 C -ATOM 6060 CG GLU B 187 101.872 90.782 50.555 1.00179.71 C -ATOM 6061 CD GLU B 187 102.454 91.282 49.225 1.00182.22 C -ATOM 6062 OE1 GLU B 187 103.283 90.571 48.620 1.00180.40 O -ATOM 6063 OE2 GLU B 187 102.071 92.378 48.759 1.00178.94 O -ATOM 6064 H GLU B 187 99.261 90.550 49.847 1.00200.03 H -ATOM 6065 HA GLU B 187 101.217 89.026 48.370 1.00202.23 H -ATOM 6066 HB2 GLU B 187 100.818 89.106 51.387 1.00200.93 H -ATOM 6067 HB3 GLU B 187 102.278 88.673 50.512 1.00200.93 H -ATOM 6068 HG2 GLU B 187 101.025 91.404 50.838 1.00215.66 H -ATOM 6069 HG3 GLU B 187 102.620 90.874 51.342 1.00215.66 H -ATOM 6070 N GLN B 188 98.912 87.258 49.908 1.00155.66 N -ATOM 6071 CA GLN B 188 98.262 85.939 49.906 1.00166.48 C -ATOM 6072 C GLN B 188 97.638 85.575 48.544 1.00157.86 C -ATOM 6073 O GLN B 188 97.548 84.391 48.220 1.00165.59 O -ATOM 6074 CB GLN B 188 97.220 85.886 51.032 1.00141.92 C -ATOM 6075 CG GLN B 188 97.876 85.785 52.420 1.00154.43 C -ATOM 6076 CD GLN B 188 96.983 86.315 53.532 1.00140.51 C -ATOM 6077 OE1 GLN B 188 96.550 87.456 53.507 1.00131.83 O -ATOM 6078 NE2 GLN B 188 96.692 85.539 54.546 1.00143.24 N -ATOM 6079 H GLN B 188 98.412 88.034 50.315 1.00186.80 H -ATOM 6080 HA GLN B 188 99.012 85.177 50.115 1.00199.77 H -ATOM 6081 HB2 GLN B 188 96.608 86.785 50.977 1.00170.31 H -ATOM 6082 HB3 GLN B 188 96.572 85.021 50.895 1.00170.31 H -ATOM 6083 HG2 GLN B 188 98.139 84.746 52.612 1.00185.31 H -ATOM 6084 HG3 GLN B 188 98.796 86.366 52.443 1.00185.31 H -ATOM 6085 HE21 GLN B 188 96.117 85.914 55.285 1.00171.89 H -ATOM 6086 HE22 GLN B 188 97.051 84.597 54.597 1.00171.89 H -ATOM 6087 N TRP B 189 97.266 86.561 47.718 1.00155.10 N -ATOM 6088 CA TRP B 189 96.904 86.334 46.310 1.00163.64 C -ATOM 6089 C TRP B 189 98.139 86.016 45.452 1.00158.72 C -ATOM 6090 O TRP B 189 98.169 85.036 44.716 1.00173.69 O -ATOM 6091 CB TRP B 189 96.207 87.565 45.709 1.00165.26 C -ATOM 6092 CG TRP B 189 94.828 87.944 46.163 1.00163.14 C -ATOM 6093 CD1 TRP B 189 94.279 87.786 47.389 1.00153.60 C -ATOM 6094 CD2 TRP B 189 93.821 88.646 45.372 1.00162.13 C -ATOM 6095 NE1 TRP B 189 93.005 88.328 47.401 1.00144.82 N -ATOM 6096 CE2 TRP B 189 92.661 88.848 46.173 1.00151.56 C -ATOM 6097 CE3 TRP B 189 93.775 89.127 44.046 1.00165.66 C -ATOM 6098 CZ2 TRP B 189 91.502 89.452 45.670 1.00154.24 C -ATOM 6099 CZ3 TRP B 189 92.621 89.754 43.535 1.00156.62 C -ATOM 6100 CH2 TRP B 189 91.485 89.913 44.342 1.00158.78 C -ATOM 6101 H TRP B 189 97.313 87.512 48.054 1.00186.12 H -ATOM 6102 HA TRP B 189 96.224 85.486 46.235 1.00196.37 H -ATOM 6103 HB2 TRP B 189 96.842 88.440 45.837 1.00198.32 H -ATOM 6104 HB3 TRP B 189 96.137 87.399 44.635 1.00198.32 H -ATOM 6105 HD1 TRP B 189 94.776 87.339 48.236 1.00184.31 H -ATOM 6106 HE1 TRP B 189 92.425 88.374 48.225 1.00173.78 H -ATOM 6107 HE3 TRP B 189 94.647 89.015 43.419 1.00198.79 H -ATOM 6108 HZ2 TRP B 189 90.631 89.548 46.300 1.00185.09 H -ATOM 6109 HZ3 TRP B 189 92.606 90.117 42.519 1.00187.94 H -ATOM 6110 HH2 TRP B 189 90.603 90.384 43.934 1.00190.54 H -ATOM 6111 N LYS B 190 99.183 86.842 45.547 1.00174.15 N -ATOM 6112 CA LYS B 190 100.401 86.736 44.730 1.00156.29 C -ATOM 6113 C LYS B 190 101.269 85.523 45.096 1.00175.54 C -ATOM 6114 O LYS B 190 102.036 85.052 44.258 1.00177.14 O -ATOM 6115 CB LYS B 190 101.192 88.051 44.844 1.00170.69 C -ATOM 6116 CG LYS B 190 100.458 89.224 44.164 1.00177.15 C -ATOM 6117 CD LYS B 190 101.180 90.573 44.311 1.00180.41 C -ATOM 6118 CE LYS B 190 101.260 91.020 45.775 1.00174.95 C -ATOM 6119 NZ LYS B 190 101.839 92.377 45.936 1.00181.29 N -ATOM 6120 H LYS B 190 99.079 87.653 46.140 1.00208.98 H -ATOM 6121 HA LYS B 190 100.117 86.599 43.687 1.00187.55 H -ATOM 6122 HB2 LYS B 190 101.365 88.271 45.897 1.00204.82 H -ATOM 6123 HB3 LYS B 190 102.158 87.929 44.356 1.00204.82 H -ATOM 6124 HG2 LYS B 190 100.366 89.000 43.102 1.00212.57 H -ATOM 6125 HG3 LYS B 190 99.450 89.324 44.565 1.00212.57 H -ATOM 6126 HD2 LYS B 190 102.183 90.490 43.895 1.00216.49 H -ATOM 6127 HD3 LYS B 190 100.631 91.316 43.737 1.00216.49 H -ATOM 6128 HE2 LYS B 190 100.258 90.994 46.190 1.00209.95 H -ATOM 6129 HE3 LYS B 190 101.868 90.305 46.316 1.00209.95 H -ATOM 6130 HZ1 LYS B 190 101.964 92.594 46.913 1.00217.55 H -ATOM 6131 HZ2 LYS B 190 102.743 92.436 45.502 1.00217.55 H -ATOM 6132 HZ3 LYS B 190 101.260 93.085 45.521 1.00217.55 H -ATOM 6133 N SER B 191 101.143 84.994 46.317 1.00166.19 N -ATOM 6134 CA SER B 191 101.811 83.750 46.741 1.00163.59 C -ATOM 6135 C SER B 191 101.003 82.502 46.359 1.00172.27 C -ATOM 6136 O SER B 191 101.509 81.653 45.629 1.00160.23 O -ATOM 6137 CB SER B 191 102.106 83.760 48.245 1.00168.13 C -ATOM 6138 OG SER B 191 102.818 84.930 48.601 1.00167.51 O -ATOM 6139 H SER B 191 100.577 85.497 46.984 1.00199.43 H -ATOM 6140 HA SER B 191 102.772 83.676 46.234 1.00196.31 H -ATOM 6141 HB2 SER B 191 101.175 83.729 48.810 1.00201.76 H -ATOM 6142 HB3 SER B 191 102.700 82.882 48.498 1.00201.76 H -ATOM 6143 HG SER B 191 102.175 85.637 48.681 1.00201.01 H -ATOM 6144 N HIS B 192 99.735 82.399 46.785 1.00154.22 N -ATOM 6145 CA HIS B 192 98.807 81.354 46.330 1.00150.66 C -ATOM 6146 C HIS B 192 98.005 81.853 45.127 1.00168.36 C -ATOM 6147 O HIS B 192 96.851 82.262 45.222 1.00152.75 O -ATOM 6148 CB HIS B 192 97.947 80.833 47.489 1.00148.79 C -ATOM 6149 CG HIS B 192 98.674 79.771 48.270 1.00154.59 C -ATOM 6150 ND1 HIS B 192 99.076 78.562 47.762 1.00153.58 N -ATOM 6151 CD2 HIS B 192 99.175 79.857 49.540 1.00164.93 C -ATOM 6152 CE1 HIS B 192 99.770 77.909 48.705 1.00162.97 C -ATOM 6153 NE2 HIS B 192 99.861 78.664 49.814 1.00162.22 N -ATOM 6154 H HIS B 192 99.345 83.135 47.353 1.00185.06 H -ATOM 6155 HA HIS B 192 99.384 80.504 45.966 1.00180.80 H -ATOM 6156 HB2 HIS B 192 97.672 81.657 48.146 1.00178.55 H -ATOM 6157 HB3 HIS B 192 97.037 80.384 47.093 1.00178.55 H -ATOM 6158 HD1 HIS B 192 98.930 78.258 46.811 1.00184.30 H -ATOM 6159 HD2 HIS B 192 99.068 80.701 50.203 1.00197.91 H -ATOM 6160 HE1 HIS B 192 100.210 76.931 48.581 1.00195.57 H -ATOM 6161 N ARG B 193 98.674 81.842 43.971 1.00155.55 N -ATOM 6162 CA ARG B 193 98.212 82.437 42.705 1.00155.80 C -ATOM 6163 C ARG B 193 96.910 81.820 42.197 1.00149.20 C -ATOM 6164 O ARG B 193 96.207 82.440 41.403 1.00150.42 O -ATOM 6165 CB ARG B 193 99.350 82.334 41.675 1.00162.25 C -ATOM 6166 CG ARG B 193 100.562 83.167 42.127 1.00167.04 C -ATOM 6167 CD ARG B 193 101.844 82.814 41.379 1.00183.41 C -ATOM 6168 NE ARG B 193 102.998 83.421 42.062 1.00181.08 N -ATOM 6169 CZ ARG B 193 104.264 83.081 41.942 1.00182.97 C -ATOM 6170 NH1 ARG B 193 105.170 83.677 42.658 1.00188.22 N -ATOM 6171 NH2 ARG B 193 104.660 82.155 41.119 1.00181.13 N -ATOM 6172 H ARG B 193 99.611 81.470 43.999 1.00186.67 H -ATOM 6173 HA ARG B 193 97.990 83.492 42.864 1.00186.96 H -ATOM 6174 HB2 ARG B 193 99.638 81.289 41.566 1.00194.70 H -ATOM 6175 HB3 ARG B 193 99.012 82.702 40.707 1.00194.70 H -ATOM 6176 HG2 ARG B 193 100.341 84.224 41.997 1.00200.45 H -ATOM 6177 HG3 ARG B 193 100.753 82.990 43.182 1.00200.45 H -ATOM 6178 HD2 ARG B 193 101.955 81.732 41.369 1.00220.10 H -ATOM 6179 HD3 ARG B 193 101.779 83.176 40.356 1.00220.10 H -ATOM 6180 HE ARG B 193 102.795 84.133 42.747 1.00217.29 H -ATOM 6181 HH11 ARG B 193 104.902 84.402 43.306 1.00225.86 H -ATOM 6182 HH12 ARG B 193 106.138 83.412 42.565 1.00225.86 H -ATOM 6183 HH21 ARG B 193 103.976 81.690 40.541 1.00217.36 H -ATOM 6184 HH22 ARG B 193 105.636 81.913 41.056 1.00217.36 H -ATOM 6185 N SER B 194 96.540 80.649 42.712 1.00143.53 N -ATOM 6186 CA SER B 194 95.183 80.125 42.646 1.00141.32 C -ATOM 6187 C SER B 194 94.734 79.588 44.008 1.00130.45 C -ATOM 6188 O SER B 194 95.532 79.242 44.876 1.00135.89 O -ATOM 6189 CB SER B 194 95.078 79.078 41.531 1.00148.98 C -ATOM 6190 OG SER B 194 93.766 78.570 41.410 1.00136.75 O -ATOM 6191 H SER B 194 97.168 80.206 43.365 1.00172.24 H -ATOM 6192 HA SER B 194 94.511 80.944 42.392 1.00169.58 H -ATOM 6193 HB2 SER B 194 95.364 79.538 40.586 1.00178.77 H -ATOM 6194 HB3 SER B 194 95.760 78.255 41.737 1.00178.77 H -ATOM 6195 HG SER B 194 93.164 79.317 41.422 1.00164.10 H -ATOM 6196 N TYR B 195 93.422 79.507 44.191 1.00126.35 N -ATOM 6197 CA TYR B 195 92.794 78.770 45.275 1.00117.61 C -ATOM 6198 C TYR B 195 91.956 77.666 44.651 1.00108.39 C -ATOM 6199 O TYR B 195 91.368 77.859 43.585 1.00109.17 O -ATOM 6200 CB TYR B 195 91.973 79.712 46.156 1.00112.91 C -ATOM 6201 CG TYR B 195 92.822 80.608 47.031 1.00122.87 C -ATOM 6202 CD1 TYR B 195 93.574 81.654 46.467 1.00132.78 C -ATOM 6203 CD2 TYR B 195 92.912 80.350 48.410 1.00122.29 C -ATOM 6204 CE1 TYR B 195 94.483 82.377 47.259 1.00140.95 C -ATOM 6205 CE2 TYR B 195 93.820 81.072 49.206 1.00132.89 C -ATOM 6206 CZ TYR B 195 94.644 82.054 48.621 1.00139.75 C -ATOM 6207 OH TYR B 195 95.604 82.670 49.361 1.00151.47 O -ATOM 6208 H TYR B 195 92.828 79.782 43.422 1.00151.62 H -ATOM 6209 HA TYR B 195 93.546 78.297 45.906 1.00141.13 H -ATOM 6210 HB2 TYR B 195 91.320 80.323 45.534 1.00135.49 H -ATOM 6211 HB3 TYR B 195 91.342 79.103 46.804 1.00135.49 H -ATOM 6212 HD1 TYR B 195 93.486 81.887 45.417 1.00159.34 H -ATOM 6213 HD2 TYR B 195 92.316 79.567 48.855 1.00146.75 H -ATOM 6214 HE1 TYR B 195 95.086 83.155 46.816 1.00169.14 H -ATOM 6215 HE2 TYR B 195 93.917 80.856 50.259 1.00159.47 H -ATOM 6216 HH TYR B 195 96.202 83.180 48.811 1.00181.76 H -ATOM 6217 N SER B 196 91.892 76.516 45.311 1.00108.84 N -ATOM 6218 CA SER B 196 91.052 75.391 44.905 1.00108.56 C -ATOM 6219 C SER B 196 90.089 75.030 46.026 1.00 99.87 C -ATOM 6220 O SER B 196 90.358 75.307 47.184 1.00 98.79 O -ATOM 6221 CB SER B 196 91.887 74.186 44.464 1.00104.64 C -ATOM 6222 OG SER B 196 92.365 73.435 45.554 1.00111.06 O -ATOM 6223 H SER B 196 92.317 76.462 46.225 1.00130.61 H -ATOM 6224 HA SER B 196 90.446 75.693 44.051 1.00130.28 H -ATOM 6225 HB2 SER B 196 91.251 73.529 43.872 1.00125.57 H -ATOM 6226 HB3 SER B 196 92.719 74.517 43.844 1.00125.57 H -ATOM 6227 HG SER B 196 93.104 73.892 45.957 1.00133.28 H -ATOM 6228 N CYS B 197 88.937 74.460 45.719 1.00 94.29 N -ATOM 6229 CA CYS B 197 87.926 74.175 46.715 1.00 78.71 C -ATOM 6230 C CYS B 197 87.301 72.818 46.470 1.00 74.37 C -ATOM 6231 O CYS B 197 86.996 72.497 45.323 1.00 73.31 O -ATOM 6232 CB CYS B 197 86.875 75.275 46.637 1.00 85.84 C -ATOM 6233 SG CYS B 197 85.955 75.264 48.182 1.00 86.56 S -ATOM 6234 H CYS B 197 88.702 74.310 44.749 1.00113.15 H -ATOM 6235 HA CYS B 197 88.365 74.168 47.713 1.00 94.45 H -ATOM 6236 HB2 CYS B 197 87.358 76.244 46.519 1.00103.01 H -ATOM 6237 HB3 CYS B 197 86.211 75.117 45.788 1.00103.01 H -ATOM 6238 HG CYS B 197 85.225 74.170 47.956 1.00103.87 H -ATOM 6239 N GLN B 198 87.025 72.065 47.529 1.00 68.72 N -ATOM 6240 CA GLN B 198 86.049 70.986 47.465 1.00 67.10 C -ATOM 6241 C GLN B 198 84.635 71.550 47.536 1.00 52.31 C -ATOM 6242 O GLN B 198 84.359 72.442 48.337 1.00 54.95 O -ATOM 6243 CB GLN B 198 86.316 69.950 48.561 1.00 74.25 C -ATOM 6244 CG GLN B 198 85.270 68.821 48.551 1.00 71.78 C -ATOM 6245 CD GLN B 198 85.658 67.611 49.394 1.00 75.99 C -ATOM 6246 OE1 GLN B 198 86.770 67.468 49.885 1.00 77.70 O -ATOM 6247 NE2 GLN B 198 84.743 66.690 49.598 1.00 72.63 N -ATOM 6248 H GLN B 198 87.289 72.409 48.441 1.00 82.47 H -ATOM 6249 HA GLN B 198 86.148 70.487 46.501 1.00 80.52 H -ATOM 6250 HB2 GLN B 198 87.305 69.531 48.387 1.00 89.09 H -ATOM 6251 HB3 GLN B 198 86.305 70.435 49.536 1.00 89.09 H -ATOM 6252 HG2 GLN B 198 84.322 69.205 48.920 1.00 86.13 H -ATOM 6253 HG3 GLN B 198 85.121 68.477 47.530 1.00 86.13 H -ATOM 6254 HE21 GLN B 198 84.984 65.893 50.166 1.00 87.16 H -ATOM 6255 HE22 GLN B 198 83.802 66.822 49.257 1.00 87.16 H -ATOM 6256 N VAL B 199 83.742 71.004 46.718 1.00 45.49 N -ATOM 6257 CA VAL B 199 82.344 71.403 46.605 1.00 40.71 C -ATOM 6258 C VAL B 199 81.495 70.137 46.536 1.00 38.64 C -ATOM 6259 O VAL B 199 81.379 69.494 45.495 1.00 42.36 O -ATOM 6260 CB VAL B 199 82.153 72.303 45.371 1.00 44.48 C -ATOM 6261 CG1 VAL B 199 80.690 72.734 45.250 1.00 43.47 C -ATOM 6262 CG2 VAL B 199 83.029 73.560 45.433 1.00 49.08 C -ATOM 6263 H VAL B 199 84.063 70.317 46.051 1.00 54.59 H -ATOM 6264 HA VAL B 199 82.052 71.968 47.489 1.00 48.85 H -ATOM 6265 HB VAL B 199 82.427 71.751 44.473 1.00 53.38 H -ATOM 6266 HG11 VAL B 199 80.575 73.437 44.426 1.00 52.17 H -ATOM 6267 HG12 VAL B 199 80.055 71.872 45.050 1.00 52.17 H -ATOM 6268 HG13 VAL B 199 80.371 73.209 46.176 1.00 52.17 H -ATOM 6269 HG21 VAL B 199 82.806 74.213 44.591 1.00 58.90 H -ATOM 6270 HG22 VAL B 199 82.845 74.100 46.360 1.00 58.90 H -ATOM 6271 HG23 VAL B 199 84.082 73.289 45.375 1.00 58.90 H -ATOM 6272 N THR B 200 80.937 69.729 47.668 1.00 32.70 N -ATOM 6273 CA THR B 200 80.236 68.451 47.814 1.00 29.70 C -ATOM 6274 C THR B 200 78.731 68.638 47.858 1.00 30.17 C -ATOM 6275 O THR B 200 78.210 69.506 48.556 1.00 35.91 O -ATOM 6276 CB THR B 200 80.754 67.692 49.039 1.00 35.85 C -ATOM 6277 OG1 THR B 200 81.960 67.064 48.674 1.00 42.60 O -ATOM 6278 CG2 THR B 200 79.846 66.580 49.566 1.00 34.43 C -ATOM 6279 H THR B 200 81.017 70.309 48.489 1.00 39.24 H -ATOM 6280 HA THR B 200 80.448 67.831 46.943 1.00 35.64 H -ATOM 6281 HB THR B 200 80.945 68.392 49.851 1.00 43.02 H -ATOM 6282 HG1 THR B 200 81.722 66.384 48.041 1.00 51.12 H -ATOM 6283 HG21 THR B 200 80.374 66.013 50.329 1.00 41.31 H -ATOM 6284 HG22 THR B 200 78.959 67.013 50.023 1.00 41.31 H -ATOM 6285 HG23 THR B 200 79.545 65.908 48.766 1.00 41.31 H -ATOM 6286 N HIS B 201 78.028 67.772 47.134 1.00 28.77 N -ATOM 6287 CA HIS B 201 76.578 67.623 47.183 1.00 27.20 C -ATOM 6288 C HIS B 201 76.181 66.247 46.652 1.00 32.52 C -ATOM 6289 O HIS B 201 76.981 65.582 45.996 1.00 35.78 O -ATOM 6290 CB HIS B 201 75.941 68.741 46.367 1.00 26.72 C -ATOM 6291 CG HIS B 201 74.445 68.753 46.449 1.00 32.64 C -ATOM 6292 ND1 HIS B 201 73.593 68.747 45.352 1.00 37.28 N -ATOM 6293 CD2 HIS B 201 73.707 68.855 47.589 1.00 33.04 C -ATOM 6294 CE1 HIS B 201 72.355 68.882 45.848 1.00 35.97 C -ATOM 6295 NE2 HIS B 201 72.394 68.958 47.189 1.00 34.27 N -ATOM 6296 H HIS B 201 78.524 67.080 46.593 1.00 34.53 H -ATOM 6297 HA HIS B 201 76.240 67.695 48.216 1.00 32.63 H -ATOM 6298 HB2 HIS B 201 76.304 69.704 46.725 1.00 32.06 H -ATOM 6299 HB3 HIS B 201 76.242 68.644 45.324 1.00 32.06 H -ATOM 6300 HD2 HIS B 201 74.087 68.934 48.596 1.00 39.65 H -ATOM 6301 HE1 HIS B 201 71.470 68.971 45.239 1.00 43.16 H -ATOM 6302 HE2 HIS B 201 71.614 69.180 47.789 1.00 41.12 H -ATOM 6303 N GLU B 202 74.962 65.806 46.929 1.00 32.08 N -ATOM 6304 CA GLU B 202 74.518 64.417 46.759 1.00 35.84 C -ATOM 6305 C GLU B 202 74.703 63.896 45.324 1.00 48.63 C -ATOM 6306 O GLU B 202 74.122 64.433 44.378 1.00 44.60 O -ATOM 6307 CB GLU B 202 73.042 64.309 47.177 1.00 33.43 C -ATOM 6308 CG GLU B 202 72.715 64.970 48.520 1.00 33.45 C -ATOM 6309 CD GLU B 202 73.773 64.681 49.583 1.00 41.79 C -ATOM 6310 OE1 GLU B 202 74.083 63.492 49.813 1.00 41.99 O -ATOM 6311 OE2 GLU B 202 74.306 65.642 50.176 1.00 44.45 O -ATOM 6312 H GLU B 202 74.333 66.439 47.400 1.00 38.49 H -ATOM 6313 HA GLU B 202 75.111 63.781 47.416 1.00 43.01 H -ATOM 6314 HB2 GLU B 202 72.415 64.779 46.420 1.00 40.11 H -ATOM 6315 HB3 GLU B 202 72.774 63.254 47.229 1.00 40.11 H -ATOM 6316 HG2 GLU B 202 72.648 66.047 48.364 1.00 40.14 H -ATOM 6317 HG3 GLU B 202 71.740 64.623 48.859 1.00 40.14 H -ATOM 6318 N GLY B 203 75.522 62.857 45.137 1.00 49.84 N -ATOM 6319 CA GLY B 203 75.846 62.289 43.821 1.00 43.94 C -ATOM 6320 C GLY B 203 76.477 63.285 42.833 1.00 42.61 C -ATOM 6321 O GLY B 203 76.390 63.077 41.623 1.00 44.22 O -ATOM 6322 H GLY B 203 75.966 62.447 45.945 1.00 59.81 H -ATOM 6323 HA2 GLY B 203 76.550 61.470 43.960 1.00 52.73 H -ATOM 6324 HA3 GLY B 203 74.942 61.883 43.368 1.00 52.73 H -ATOM 6325 N SER B 204 77.048 64.390 43.328 1.00 41.41 N -ATOM 6326 CA SER B 204 77.370 65.592 42.538 1.00 39.51 C -ATOM 6327 C SER B 204 78.700 66.271 42.916 1.00 36.25 C -ATOM 6328 O SER B 204 78.957 67.402 42.507 1.00 39.11 O -ATOM 6329 CB SER B 204 76.226 66.608 42.672 1.00 42.20 C -ATOM 6330 OG SER B 204 74.972 66.035 42.359 1.00 42.97 O -ATOM 6331 H SER B 204 77.048 64.494 44.332 1.00 49.69 H -ATOM 6332 HA SER B 204 77.453 65.316 41.487 1.00 47.41 H -ATOM 6333 HB2 SER B 204 76.194 66.980 43.695 1.00 50.64 H -ATOM 6334 HB3 SER B 204 76.405 67.447 42.001 1.00 50.64 H -ATOM 6335 HG SER B 204 74.705 65.497 43.107 1.00 51.57 H -ATOM 6336 N THR B 205 79.547 65.628 43.723 1.00 33.08 N -ATOM 6337 CA THR B 205 80.778 66.243 44.247 1.00 35.30 C -ATOM 6338 C THR B 205 81.752 66.637 43.140 1.00 37.91 C -ATOM 6339 O THR B 205 81.938 65.901 42.174 1.00 45.09 O -ATOM 6340 CB THR B 205 81.460 65.325 45.271 1.00 39.25 C -ATOM 6341 OG1 THR B 205 80.691 65.347 46.455 1.00 40.67 O -ATOM 6342 CG2 THR B 205 82.868 65.749 45.688 1.00 40.87 C -ATOM 6343 H THR B 205 79.329 64.678 43.982 1.00 39.70 H -ATOM 6344 HA THR B 205 80.500 67.162 44.762 1.00 42.36 H -ATOM 6345 HB THR B 205 81.506 64.310 44.880 1.00 47.10 H -ATOM 6346 HG1 THR B 205 80.226 64.523 46.499 1.00 48.81 H -ATOM 6347 HG21 THR B 205 83.204 65.124 46.514 1.00 49.05 H -ATOM 6348 HG22 THR B 205 83.562 65.609 44.860 1.00 49.05 H -ATOM 6349 HG23 THR B 205 82.876 66.794 45.996 1.00 49.05 H -ATOM 6350 N VAL B 206 82.408 67.786 43.304 1.00 40.82 N -ATOM 6351 CA VAL B 206 83.434 68.320 42.400 1.00 45.74 C -ATOM 6352 C VAL B 206 84.503 69.082 43.193 1.00 52.83 C -ATOM 6353 O VAL B 206 84.284 69.457 44.344 1.00 55.15 O -ATOM 6354 CB VAL B 206 82.753 69.170 41.304 1.00 47.33 C -ATOM 6355 CG1 VAL B 206 82.208 70.503 41.823 1.00 51.72 C -ATOM 6356 CG2 VAL B 206 83.672 69.461 40.114 1.00 55.70 C -ATOM 6357 H VAL B 206 82.190 68.350 44.113 1.00 48.98 H -ATOM 6358 HA VAL B 206 83.936 67.485 41.911 1.00 54.88 H -ATOM 6359 HB VAL B 206 81.911 68.599 40.914 1.00 56.80 H -ATOM 6360 HG11 VAL B 206 81.647 70.998 41.031 1.00 62.06 H -ATOM 6361 HG12 VAL B 206 81.535 70.325 42.661 1.00 62.06 H -ATOM 6362 HG13 VAL B 206 83.021 71.154 42.144 1.00 62.06 H -ATOM 6363 HG21 VAL B 206 83.092 69.917 39.313 1.00 66.84 H -ATOM 6364 HG22 VAL B 206 84.478 70.140 40.392 1.00 66.84 H -ATOM 6365 HG23 VAL B 206 84.092 68.529 39.740 1.00 66.84 H -ATOM 6366 N GLU B 207 85.667 69.334 42.597 1.00 59.33 N -ATOM 6367 CA GLU B 207 86.638 70.311 43.107 1.00 66.44 C -ATOM 6368 C GLU B 207 86.979 71.350 42.026 1.00 70.42 C -ATOM 6369 O GLU B 207 87.209 70.993 40.870 1.00 72.43 O -ATOM 6370 CB GLU B 207 87.907 69.639 43.658 1.00 64.78 C -ATOM 6371 CG GLU B 207 87.617 68.532 44.683 1.00 63.55 C -ATOM 6372 CD GLU B 207 88.861 68.088 45.476 1.00 75.25 C -ATOM 6373 OE1 GLU B 207 89.657 68.936 45.945 1.00 80.63 O -ATOM 6374 OE2 GLU B 207 89.034 66.862 45.660 1.00 79.97 O -ATOM 6375 H GLU B 207 85.817 68.980 41.663 1.00 71.19 H -ATOM 6376 HA GLU B 207 86.170 70.848 43.932 1.00 79.73 H -ATOM 6377 HB2 GLU B 207 88.473 69.207 42.834 1.00 77.73 H -ATOM 6378 HB3 GLU B 207 88.513 70.416 44.121 1.00 77.73 H -ATOM 6379 HG2 GLU B 207 86.863 68.881 45.387 1.00 76.26 H -ATOM 6380 HG3 GLU B 207 87.194 67.676 44.158 1.00 76.26 H -ATOM 6381 N LYS B 208 86.992 72.640 42.379 1.00 73.12 N -ATOM 6382 CA LYS B 208 87.014 73.779 41.433 1.00 84.77 C -ATOM 6383 C LYS B 208 87.944 74.896 41.903 1.00 89.07 C -ATOM 6384 O LYS B 208 88.350 74.900 43.060 1.00 91.75 O -ATOM 6385 CB LYS B 208 85.579 74.298 41.228 1.00 81.94 C -ATOM 6386 CG LYS B 208 84.798 73.493 40.176 1.00 80.32 C -ATOM 6387 CD LYS B 208 83.369 74.042 40.022 1.00 73.84 C -ATOM 6388 CE LYS B 208 82.584 73.397 38.868 1.00 64.03 C -ATOM 6389 NZ LYS B 208 82.988 73.915 37.535 1.00 73.31 N -ATOM 6390 H LYS B 208 86.889 72.851 43.361 1.00 87.75 H -ATOM 6391 HA LYS B 208 87.407 73.449 40.471 1.00101.72 H -ATOM 6392 HB2 LYS B 208 85.043 74.283 42.177 1.00 98.32 H -ATOM 6393 HB3 LYS B 208 85.623 75.332 40.890 1.00 98.32 H -ATOM 6394 HG2 LYS B 208 85.325 73.561 39.224 1.00 96.38 H -ATOM 6395 HG3 LYS B 208 84.747 72.449 40.480 1.00 96.38 H -ATOM 6396 HD2 LYS B 208 82.837 73.844 40.952 1.00 88.60 H -ATOM 6397 HD3 LYS B 208 83.398 75.121 39.878 1.00 88.60 H -ATOM 6398 HE2 LYS B 208 82.715 72.319 38.913 1.00 76.84 H -ATOM 6399 HE3 LYS B 208 81.526 73.601 39.020 1.00 76.84 H -ATOM 6400 HZ1 LYS B 208 82.451 73.479 36.802 1.00 87.97 H -ATOM 6401 HZ2 LYS B 208 82.835 74.908 37.459 1.00 87.97 H -ATOM 6402 HZ3 LYS B 208 83.959 73.732 37.340 1.00 87.97 H -ATOM 6403 N THR B 209 88.321 75.828 41.026 1.00 90.29 N -ATOM 6404 CA THR B 209 89.397 76.801 41.305 1.00101.37 C -ATOM 6405 C THR B 209 89.101 78.225 40.849 1.00108.33 C -ATOM 6406 O THR B 209 88.262 78.464 39.984 1.00106.68 O -ATOM 6407 CB THR B 209 90.745 76.379 40.691 1.00106.52 C -ATOM 6408 OG1 THR B 209 90.725 76.539 39.292 1.00114.02 O -ATOM 6409 CG2 THR B 209 91.125 74.929 40.962 1.00105.50 C -ATOM 6410 H THR B 209 87.945 75.799 40.090 1.00108.35 H -ATOM 6411 HA THR B 209 89.533 76.856 42.384 1.00121.65 H -ATOM 6412 HB THR B 209 91.525 77.020 41.098 1.00127.83 H -ATOM 6413 HG1 THR B 209 91.562 76.222 38.950 1.00136.82 H -ATOM 6414 HG21 THR B 209 92.176 74.775 40.725 1.00126.60 H -ATOM 6415 HG22 THR B 209 90.962 74.705 42.015 1.00126.60 H -ATOM 6416 HG23 THR B 209 90.516 74.254 40.364 1.00126.60 H -ATOM 6417 N VAL B 210 89.852 79.171 41.418 1.00114.61 N -ATOM 6418 CA VAL B 210 89.901 80.588 41.021 1.00120.30 C -ATOM 6419 C VAL B 210 91.343 81.089 40.954 1.00131.93 C -ATOM 6420 O VAL B 210 92.182 80.651 41.744 1.00128.23 O -ATOM 6421 CB VAL B 210 89.102 81.490 41.978 1.00115.71 C -ATOM 6422 CG1 VAL B 210 87.603 81.254 41.828 1.00115.50 C -ATOM 6423 CG2 VAL B 210 89.508 81.340 43.447 1.00129.84 C -ATOM 6424 H VAL B 210 90.504 78.878 42.131 1.00137.53 H -ATOM 6425 HA VAL B 210 89.475 80.696 40.023 1.00144.36 H -ATOM 6426 HB VAL B 210 89.297 82.528 41.710 1.00138.85 H -ATOM 6427 HG11 VAL B 210 87.055 81.981 42.421 1.00138.60 H -ATOM 6428 HG12 VAL B 210 87.322 81.365 40.784 1.00138.60 H -ATOM 6429 HG13 VAL B 210 87.343 80.252 42.162 1.00138.60 H -ATOM 6430 HG21 VAL B 210 88.880 81.975 44.069 1.00155.81 H -ATOM 6431 HG22 VAL B 210 89.393 80.307 43.772 1.00155.81 H -ATOM 6432 HG23 VAL B 210 90.543 81.646 43.581 1.00155.81 H -ATOM 6433 N ALA B 211 91.631 82.029 40.054 1.00136.61 N -ATOM 6434 CA ALA B 211 92.885 82.782 40.003 1.00143.37 C -ATOM 6435 C ALA B 211 92.633 84.254 39.610 1.00153.97 C -ATOM 6436 O ALA B 211 91.836 84.502 38.705 1.00154.73 O -ATOM 6437 CB ALA B 211 93.831 82.098 39.015 1.00143.89 C -ATOM 6438 H ALA B 211 90.941 82.238 39.348 1.00163.93 H -ATOM 6439 HA ALA B 211 93.353 82.745 40.987 1.00172.04 H -ATOM 6440 HB1 ALA B 211 94.775 82.638 38.975 1.00172.66 H -ATOM 6441 HB2 ALA B 211 94.021 81.075 39.333 1.00172.66 H -ATOM 6442 HB3 ALA B 211 93.391 82.083 38.019 1.00172.66 H -ATOM 6443 N PRO B 212 93.304 85.251 40.219 1.00157.09 N -ATOM 6444 CA PRO B 212 93.052 86.669 39.919 1.00161.73 C -ATOM 6445 C PRO B 212 93.263 87.055 38.450 1.00161.96 C -ATOM 6446 O PRO B 212 92.567 87.920 37.921 1.00161.54 O -ATOM 6447 CB PRO B 212 94.002 87.451 40.829 1.00157.20 C -ATOM 6448 CG PRO B 212 94.187 86.512 42.018 1.00161.50 C -ATOM 6449 CD PRO B 212 94.189 85.134 41.368 1.00156.57 C -ATOM 6450 HA PRO B 212 92.025 86.906 40.196 1.00194.08 H -ATOM 6451 HB2 PRO B 212 94.963 87.599 40.338 1.00188.64 H -ATOM 6452 HB3 PRO B 212 93.575 88.408 41.127 1.00188.64 H -ATOM 6453 HG2 PRO B 212 95.117 86.706 42.549 1.00193.80 H -ATOM 6454 HG3 PRO B 212 93.334 86.595 42.690 1.00193.80 H -ATOM 6455 HD2 PRO B 212 95.195 84.886 41.032 1.00187.89 H -ATOM 6456 HD3 PRO B 212 93.834 84.402 42.092 1.00187.89 H -ATOM 6457 N THR B 213 94.174 86.365 37.760 1.00165.42 N -ATOM 6458 CA THR B 213 94.470 86.538 36.325 1.00166.98 C -ATOM 6459 C THR B 213 93.271 86.279 35.401 1.00168.41 C -ATOM 6460 O THR B 213 93.253 86.770 34.271 1.00167.19 O -ATOM 6461 CB THR B 213 95.613 85.597 35.915 1.00180.69 C -ATOM 6462 OG1 THR B 213 95.316 84.275 36.307 1.00170.12 O -ATOM 6463 CG2 THR B 213 96.936 85.983 36.572 1.00167.81 C -ATOM 6464 H THR B 213 94.688 85.644 38.245 1.00198.51 H -ATOM 6465 HA THR B 213 94.795 87.563 36.152 1.00200.37 H -ATOM 6466 HB THR B 213 95.739 85.635 34.833 1.00216.83 H -ATOM 6467 HG1 THR B 213 96.013 83.716 35.963 1.00204.15 H -ATOM 6468 HG21 THR B 213 97.732 85.348 36.188 1.00201.37 H -ATOM 6469 HG22 THR B 213 97.173 87.019 36.335 1.00201.37 H -ATOM 6470 HG23 THR B 213 96.878 85.871 37.653 1.00201.37 H -ATOM 6471 N GLU B 214 92.244 85.558 35.865 1.00165.75 N -ATOM 6472 CA GLU B 214 91.006 85.299 35.115 1.00163.84 C -ATOM 6473 C GLU B 214 90.103 86.539 35.005 1.00155.34 C -ATOM 6474 O GLU B 214 89.292 86.629 34.084 1.00158.24 O -ATOM 6475 CB GLU B 214 90.224 84.164 35.797 1.00156.68 C -ATOM 6476 CG GLU B 214 91.010 82.848 35.882 1.00152.69 C -ATOM 6477 CD GLU B 214 90.191 81.750 36.572 1.00140.42 C -ATOM 6478 OE1 GLU B 214 89.938 81.840 37.793 1.00136.61 O -ATOM 6479 OE2 GLU B 214 89.779 80.793 35.876 1.00132.71 O -ATOM 6480 H GLU B 214 92.317 85.158 36.789 1.00198.90 H -ATOM 6481 HA GLU B 214 91.255 84.982 34.103 1.00196.61 H -ATOM 6482 HB2 GLU B 214 89.945 84.484 36.800 1.00188.01 H -ATOM 6483 HB3 GLU B 214 89.309 83.981 35.234 1.00188.01 H -ATOM 6484 HG2 GLU B 214 91.275 82.538 34.872 1.00183.23 H -ATOM 6485 HG3 GLU B 214 91.939 83.002 36.430 1.00183.23 H -ATOM 6486 N CYS B 215 90.239 87.496 35.929 1.00157.77 N -ATOM 6487 CA CYS B 215 89.303 88.614 36.097 1.00155.70 C -ATOM 6488 C CYS B 215 89.968 89.996 36.207 1.00163.55 C -ATOM 6489 O CYS B 215 89.267 90.991 36.398 1.00168.17 O -ATOM 6490 CB CYS B 215 88.446 88.336 37.335 1.00152.82 C -ATOM 6491 SG CYS B 215 87.457 86.832 37.134 1.00144.35 S -ATOM 6492 H CYS B 215 90.934 87.357 36.647 1.00189.32 H -ATOM 6493 HA CYS B 215 88.640 88.670 35.234 1.00186.85 H -ATOM 6494 HB2 CYS B 215 89.088 88.239 38.210 1.00183.39 H -ATOM 6495 HB3 CYS B 215 87.768 89.172 37.503 1.00183.39 H -ATOM 6496 HG CYS B 215 86.870 86.958 38.323 1.00173.22 H -ATOM 6497 N SER B 216 91.300 90.056 36.104 1.00164.77 N -ATOM 6498 CA SER B 216 92.153 91.231 36.343 1.00168.52 C -ATOM 6499 C SER B 216 91.591 92.542 35.796 1.00176.66 C -ATOM 6500 O SER B 216 91.318 92.621 34.578 1.00165.36 O -ATOM 6501 CB SER B 216 93.538 90.946 35.768 1.00171.98 C -ATOM 6502 OG SER B 216 94.414 92.003 36.102 1.00175.85 O -ATOM 6503 OXT SER B 216 91.446 93.479 36.610 1.00180.72 O -ATOM 6504 H SER B 216 91.770 89.175 35.960 1.00197.73 H -ATOM 6505 HA SER B 216 92.260 91.356 37.420 1.00202.22 H -ATOM 6506 HB2 SER B 216 93.918 90.013 36.182 1.00206.38 H -ATOM 6507 HB3 SER B 216 93.467 90.849 34.685 1.00206.38 H -ATOM 6508 HG SER B 216 95.256 91.849 35.681 1.00211.01 H -TER 6509 SER B 216 -ATOM 6510 N LYS C 127 92.485 67.689 121.602 1.00175.19 N -ATOM 6511 CA LYS C 127 93.203 68.295 120.449 1.00171.31 C -ATOM 6512 C LYS C 127 92.240 68.711 119.326 1.00179.45 C -ATOM 6513 O LYS C 127 91.694 69.811 119.399 1.00166.25 O -ATOM 6514 CB LYS C 127 94.387 67.434 119.956 1.00171.88 C -ATOM 6515 CG LYS C 127 95.503 67.305 121.009 1.00175.71 C -ATOM 6516 CD LYS C 127 96.663 66.447 120.487 1.00184.91 C -ATOM 6517 CE LYS C 127 97.740 66.285 121.562 1.00187.27 C -ATOM 6518 NZ LYS C 127 98.777 65.321 121.130 1.00191.87 N -ATOM 6519 H LYS C 127 93.110 67.565 122.382 1.00210.22 H -ATOM 6520 HA LYS C 127 93.634 69.233 120.796 1.00205.57 H -ATOM 6521 HB2 LYS C 127 94.041 66.438 119.688 1.00206.25 H -ATOM 6522 HB3 LYS C 127 94.817 67.898 119.070 1.00206.25 H -ATOM 6523 HG2 LYS C 127 95.878 68.293 121.262 1.00210.85 H -ATOM 6524 HG3 LYS C 127 95.109 66.836 121.907 1.00210.85 H -ATOM 6525 HD2 LYS C 127 96.280 65.466 120.212 1.00221.89 H -ATOM 6526 HD3 LYS C 127 97.099 66.917 119.607 1.00221.89 H -ATOM 6527 HE2 LYS C 127 98.188 67.257 121.761 1.00224.72 H -ATOM 6528 HE3 LYS C 127 97.271 65.936 122.480 1.00224.72 H -ATOM 6529 HZ1 LYS C 127 99.487 65.215 121.836 1.00230.24 H -ATOM 6530 HZ2 LYS C 127 98.380 64.412 120.960 1.00230.24 H -ATOM 6531 HZ3 LYS C 127 99.227 65.626 120.283 1.00230.24 H -ATOM 6532 N ARG C 128 92.005 67.885 118.289 1.00166.20 N -ATOM 6533 CA ARG C 128 91.171 68.204 117.094 1.00162.44 C -ATOM 6534 C ARG C 128 90.303 67.023 116.616 1.00149.34 C -ATOM 6535 O ARG C 128 90.040 66.864 115.425 1.00137.73 O -ATOM 6536 CB ARG C 128 92.056 68.759 115.951 1.00165.75 C -ATOM 6537 CG ARG C 128 92.799 70.071 116.249 1.00171.17 C -ATOM 6538 CD ARG C 128 91.848 71.251 116.473 1.00173.20 C -ATOM 6539 NE ARG C 128 92.591 72.482 116.796 1.00179.92 N -ATOM 6540 CZ ARG C 128 92.676 73.092 117.964 1.00184.44 C -ATOM 6541 NH1 ARG C 128 93.286 74.234 118.047 1.00177.39 N -ATOM 6542 NH2 ARG C 128 92.175 72.605 119.061 1.00188.77 N -ATOM 6543 H ARG C 128 92.519 67.018 118.264 1.00199.44 H -ATOM 6544 HA ARG C 128 90.444 68.971 117.362 1.00194.93 H -ATOM 6545 HB2 ARG C 128 92.795 68.004 115.685 1.00198.90 H -ATOM 6546 HB3 ARG C 128 91.439 68.939 115.072 1.00198.90 H -ATOM 6547 HG2 ARG C 128 93.445 69.946 117.117 1.00205.41 H -ATOM 6548 HG3 ARG C 128 93.437 70.303 115.397 1.00205.41 H -ATOM 6549 HD2 ARG C 128 91.281 71.413 115.557 1.00207.84 H -ATOM 6550 HD3 ARG C 128 91.132 71.020 117.261 1.00207.84 H -ATOM 6551 HE ARG C 128 93.036 72.956 116.025 1.00215.91 H -ATOM 6552 HH11 ARG C 128 93.690 74.650 117.222 1.00212.86 H -ATOM 6553 HH12 ARG C 128 93.349 74.710 118.934 1.00212.86 H -ATOM 6554 HH21 ARG C 128 91.777 71.679 119.056 1.00226.52 H -ATOM 6555 HH22 ARG C 128 92.263 73.118 119.925 1.00226.52 H -ATOM 6556 N LYS C 129 89.855 66.170 117.542 1.00148.31 N -ATOM 6557 CA LYS C 129 89.150 64.905 117.247 1.00139.97 C -ATOM 6558 C LYS C 129 87.748 65.049 116.640 1.00112.78 C -ATOM 6559 O LYS C 129 87.236 64.075 116.099 1.00123.18 O -ATOM 6560 CB LYS C 129 89.123 64.020 118.508 1.00135.12 C -ATOM 6561 CG LYS C 129 88.317 64.629 119.669 1.00137.91 C -ATOM 6562 CD LYS C 129 88.338 63.747 120.925 1.00138.46 C -ATOM 6563 CE LYS C 129 87.626 62.395 120.763 1.00136.59 C -ATOM 6564 NZ LYS C 129 86.142 62.516 120.725 1.00134.87 N -ATOM 6565 H LYS C 129 90.086 66.374 118.503 1.00177.97 H -ATOM 6566 HA LYS C 129 89.731 64.369 116.497 1.00167.97 H -ATOM 6567 HB2 LYS C 129 88.699 63.053 118.241 1.00162.15 H -ATOM 6568 HB3 LYS C 129 90.146 63.849 118.840 1.00162.15 H -ATOM 6569 HG2 LYS C 129 88.743 65.596 119.933 1.00165.50 H -ATOM 6570 HG3 LYS C 129 87.285 64.788 119.358 1.00165.50 H -ATOM 6571 HD2 LYS C 129 89.377 63.555 121.191 1.00166.15 H -ATOM 6572 HD3 LYS C 129 87.888 64.294 121.752 1.00166.15 H -ATOM 6573 HE2 LYS C 129 87.996 61.898 119.867 1.00163.90 H -ATOM 6574 HE3 LYS C 129 87.908 61.775 121.612 1.00163.90 H -ATOM 6575 HZ1 LYS C 129 85.707 61.607 120.746 1.00161.84 H -ATOM 6576 HZ2 LYS C 129 85.804 63.023 121.528 1.00161.84 H -ATOM 6577 HZ3 LYS C 129 85.799 62.983 119.899 1.00161.84 H -ATOM 6578 N ALA C 130 87.116 66.221 116.702 1.00129.11 N -ATOM 6579 CA ALA C 130 85.700 66.383 116.353 1.00121.87 C -ATOM 6580 C ALA C 130 85.361 65.902 114.930 1.00120.61 C -ATOM 6581 O ALA C 130 84.308 65.310 114.710 1.00114.84 O -ATOM 6582 CB ALA C 130 85.329 67.856 116.549 1.00124.34 C -ATOM 6583 H ALA C 130 87.585 66.991 117.155 1.00154.93 H -ATOM 6584 HA ALA C 130 85.103 65.788 117.044 1.00146.25 H -ATOM 6585 HB1 ALA C 130 84.272 67.995 116.336 1.00149.21 H -ATOM 6586 HB2 ALA C 130 85.518 68.153 117.578 1.00149.21 H -ATOM 6587 HB3 ALA C 130 85.911 68.486 115.879 1.00149.21 H -ATOM 6588 N LEU C 131 86.282 66.058 113.974 1.00123.11 N -ATOM 6589 CA LEU C 131 86.111 65.572 112.601 1.00117.37 C -ATOM 6590 C LEU C 131 85.939 64.038 112.514 1.00107.64 C -ATOM 6591 O LEU C 131 85.177 63.542 111.684 1.00109.65 O -ATOM 6592 CB LEU C 131 87.317 66.085 111.794 1.00109.21 C -ATOM 6593 CG LEU C 131 87.319 65.689 110.311 1.00111.18 C -ATOM 6594 CD1 LEU C 131 86.111 66.260 109.584 1.00101.05 C -ATOM 6595 CD2 LEU C 131 88.580 66.224 109.635 1.00102.21 C -ATOM 6596 H LEU C 131 87.126 66.562 114.204 1.00147.73 H -ATOM 6597 HA LEU C 131 85.204 66.023 112.198 1.00140.85 H -ATOM 6598 HB2 LEU C 131 87.346 67.171 111.859 1.00131.06 H -ATOM 6599 HB3 LEU C 131 88.227 65.697 112.250 1.00131.06 H -ATOM 6600 HG LEU C 131 87.312 64.603 110.217 1.00133.42 H -ATOM 6601 HD11 LEU C 131 86.200 66.039 108.522 1.00121.26 H -ATOM 6602 HD12 LEU C 131 85.199 65.806 109.966 1.00121.26 H -ATOM 6603 HD13 LEU C 131 86.071 67.338 109.724 1.00121.26 H -ATOM 6604 HD21 LEU C 131 88.604 65.906 108.593 1.00122.65 H -ATOM 6605 HD22 LEU C 131 88.597 67.312 109.679 1.00122.65 H -ATOM 6606 HD23 LEU C 131 89.463 65.836 110.140 1.00122.65 H -ATOM 6607 N LEU C 132 86.600 63.277 113.395 1.00114.21 N -ATOM 6608 CA LEU C 132 86.394 61.829 113.515 1.00116.35 C -ATOM 6609 C LEU C 132 84.990 61.538 114.032 1.00109.74 C -ATOM 6610 O LEU C 132 84.312 60.655 113.527 1.00101.47 O -ATOM 6611 CB LEU C 132 87.416 61.211 114.482 1.00110.61 C -ATOM 6612 CG LEU C 132 88.876 61.323 114.026 1.00113.30 C -ATOM 6613 CD1 LEU C 132 89.801 61.130 115.222 1.00132.00 C -ATOM 6614 CD2 LEU C 132 89.199 60.254 112.985 1.00115.92 C -ATOM 6615 H LEU C 132 87.147 63.736 114.108 1.00137.05 H -ATOM 6616 HA LEU C 132 86.491 61.361 112.535 1.00139.62 H -ATOM 6617 HB2 LEU C 132 87.306 61.688 115.455 1.00132.74 H -ATOM 6618 HB3 LEU C 132 87.174 60.158 114.624 1.00132.74 H -ATOM 6619 HG LEU C 132 89.068 62.309 113.604 1.00135.96 H -ATOM 6620 HD11 LEU C 132 90.838 61.195 114.898 1.00158.40 H -ATOM 6621 HD12 LEU C 132 89.618 61.911 115.959 1.00158.40 H -ATOM 6622 HD13 LEU C 132 89.625 60.157 115.679 1.00158.40 H -ATOM 6623 HD21 LEU C 132 90.248 60.321 112.702 1.00139.10 H -ATOM 6624 HD22 LEU C 132 89.008 59.263 113.393 1.00139.10 H -ATOM 6625 HD23 LEU C 132 88.584 60.399 112.099 1.00139.10 H -ATOM 6626 N ASP C 133 84.521 62.301 115.009 1.00104.17 N -ATOM 6627 CA ASP C 133 83.172 62.141 115.540 1.00105.30 C -ATOM 6628 C ASP C 133 82.104 62.486 114.490 1.00 97.29 C -ATOM 6629 O ASP C 133 81.093 61.795 114.375 1.00 89.68 O -ATOM 6630 CB ASP C 133 83.040 62.954 116.834 1.00115.46 C -ATOM 6631 CG ASP C 133 84.092 62.577 117.890 1.00119.10 C -ATOM 6632 OD1 ASP C 133 84.455 61.383 118.004 1.00116.47 O -ATOM 6633 OD2 ASP C 133 84.523 63.469 118.654 1.00118.67 O -ATOM 6634 H ASP C 133 85.111 63.034 115.376 1.00125.00 H -ATOM 6635 HA ASP C 133 83.029 61.091 115.793 1.00126.36 H -ATOM 6636 HB2 ASP C 133 83.116 64.016 116.604 1.00138.55 H -ATOM 6637 HB3 ASP C 133 82.049 62.775 117.249 1.00138.55 H -ATOM 6638 N GLU C 134 82.365 63.470 113.633 1.00100.98 N -ATOM 6639 CA GLU C 134 81.549 63.736 112.447 1.00 98.62 C -ATOM 6640 C GLU C 134 81.566 62.553 111.471 1.00 90.49 C -ATOM 6641 O GLU C 134 80.531 62.203 110.908 1.00 84.49 O -ATOM 6642 CB GLU C 134 82.054 64.997 111.739 1.00 97.82 C -ATOM 6643 CG GLU C 134 81.808 66.271 112.554 1.00 98.96 C -ATOM 6644 CD GLU C 134 82.585 67.474 112.005 1.00106.83 C -ATOM 6645 OE1 GLU C 134 82.879 67.521 110.786 1.00108.00 O -ATOM 6646 OE2 GLU C 134 82.857 68.408 112.792 1.00116.45 O -ATOM 6647 H GLU C 134 83.186 64.035 113.795 1.00121.18 H -ATOM 6648 HA GLU C 134 80.515 63.900 112.747 1.00118.34 H -ATOM 6649 HB2 GLU C 134 83.123 64.897 111.552 1.00117.39 H -ATOM 6650 HB3 GLU C 134 81.551 65.091 110.778 1.00117.39 H -ATOM 6651 HG2 GLU C 134 80.740 66.487 112.547 1.00118.75 H -ATOM 6652 HG3 GLU C 134 82.096 66.103 113.591 1.00118.75 H -ATOM 6653 N LEU C 135 82.709 61.884 111.301 1.00 94.08 N -ATOM 6654 CA LEU C 135 82.802 60.667 110.496 1.00 91.94 C -ATOM 6655 C LEU C 135 82.077 59.473 111.139 1.00 88.07 C -ATOM 6656 O LEU C 135 81.443 58.700 110.425 1.00 78.98 O -ATOM 6657 CB LEU C 135 84.277 60.368 110.175 1.00 95.96 C -ATOM 6658 CG LEU C 135 84.483 59.123 109.290 1.00100.53 C -ATOM 6659 CD1 LEU C 135 83.800 59.257 107.926 1.00 94.31 C -ATOM 6660 CD2 LEU C 135 85.970 58.893 109.041 1.00101.47 C -ATOM 6661 H LEU C 135 83.543 62.234 111.750 1.00112.90 H -ATOM 6662 HA LEU C 135 82.298 60.874 109.552 1.00110.33 H -ATOM 6663 HB2 LEU C 135 84.710 61.234 109.675 1.00115.16 H -ATOM 6664 HB3 LEU C 135 84.823 60.212 111.105 1.00115.16 H -ATOM 6665 HG LEU C 135 84.091 58.244 109.800 1.00120.63 H -ATOM 6666 HD11 LEU C 135 84.089 58.426 107.286 1.00113.17 H -ATOM 6667 HD12 LEU C 135 82.720 59.222 108.043 1.00113.17 H -ATOM 6668 HD13 LEU C 135 84.092 60.189 107.450 1.00113.17 H -ATOM 6669 HD21 LEU C 135 86.109 57.963 108.490 1.00121.77 H -ATOM 6670 HD22 LEU C 135 86.382 59.717 108.461 1.00121.77 H -ATOM 6671 HD23 LEU C 135 86.496 58.816 109.991 1.00121.77 H -ATOM 6672 N LYS C 136 82.088 59.327 112.468 1.00 86.91 N -ATOM 6673 CA LYS C 136 81.279 58.318 113.177 1.00 80.64 C -ATOM 6674 C LYS C 136 79.797 58.539 112.896 1.00 88.30 C -ATOM 6675 O LYS C 136 79.090 57.598 112.548 1.00 73.13 O -ATOM 6676 CB LYS C 136 81.543 58.362 114.691 1.00 92.25 C -ATOM 6677 CG LYS C 136 82.969 57.936 115.067 1.00101.00 C -ATOM 6678 CD LYS C 136 83.248 58.223 116.551 1.00110.69 C -ATOM 6679 CE LYS C 136 84.747 58.083 116.854 1.00121.46 C -ATOM 6680 NZ LYS C 136 85.091 58.637 118.187 1.00114.31 N -ATOM 6681 H LYS C 136 82.672 59.954 113.001 1.00104.29 H -ATOM 6682 HA LYS C 136 81.529 57.322 112.810 1.00 96.77 H -ATOM 6683 HB2 LYS C 136 81.355 59.368 115.062 1.00110.71 H -ATOM 6684 HB3 LYS C 136 80.847 57.690 115.191 1.00110.71 H -ATOM 6685 HG2 LYS C 136 83.092 56.871 114.873 1.00121.20 H -ATOM 6686 HG3 LYS C 136 83.691 58.476 114.456 1.00121.20 H -ATOM 6687 HD2 LYS C 136 82.924 59.233 116.799 1.00132.83 H -ATOM 6688 HD3 LYS C 136 82.681 57.524 117.166 1.00132.83 H -ATOM 6689 HE2 LYS C 136 85.016 57.029 116.801 1.00145.75 H -ATOM 6690 HE3 LYS C 136 85.307 58.607 116.082 1.00145.75 H -ATOM 6691 HZ1 LYS C 136 86.073 58.515 118.384 1.00137.17 H -ATOM 6692 HZ2 LYS C 136 84.881 59.623 118.226 1.00137.17 H -ATOM 6693 HZ3 LYS C 136 84.574 58.171 118.917 1.00137.17 H -ATOM 6694 N ALA C 137 79.354 59.794 112.933 1.00 89.68 N -ATOM 6695 CA ALA C 137 78.018 60.169 112.492 1.00 81.77 C -ATOM 6696 C ALA C 137 77.787 59.822 111.003 1.00 70.55 C -ATOM 6697 O ALA C 137 76.889 59.030 110.733 1.00 72.46 O -ATOM 6698 CB ALA C 137 77.768 61.638 112.840 1.00 84.65 C -ATOM 6699 H ALA C 137 79.981 60.518 113.251 1.00107.61 H -ATOM 6700 HA ALA C 137 77.299 59.580 113.060 1.00 98.12 H -ATOM 6701 HB1 ALA C 137 76.799 61.946 112.451 1.00101.58 H -ATOM 6702 HB2 ALA C 137 77.770 61.761 113.921 1.00101.58 H -ATOM 6703 HB3 ALA C 137 78.543 62.276 112.419 1.00101.58 H -ATOM 6704 N LEU C 138 78.644 60.255 110.064 1.00 76.45 N -ATOM 6705 CA LEU C 138 78.495 59.910 108.639 1.00 71.71 C -ATOM 6706 C LEU C 138 78.403 58.399 108.425 1.00 76.07 C -ATOM 6707 O LEU C 138 77.617 57.920 107.616 1.00 67.72 O -ATOM 6708 CB LEU C 138 79.680 60.441 107.812 1.00 80.83 C -ATOM 6709 CG LEU C 138 79.745 61.957 107.582 1.00 79.38 C -ATOM 6710 CD1 LEU C 138 81.007 62.314 106.801 1.00 77.19 C -ATOM 6711 CD2 LEU C 138 78.570 62.487 106.764 1.00 74.06 C -ATOM 6712 H LEU C 138 79.370 60.899 110.340 1.00 91.74 H -ATOM 6713 HA LEU C 138 77.567 60.332 108.256 1.00 86.05 H -ATOM 6714 HB2 LEU C 138 80.603 60.120 108.294 1.00 96.99 H -ATOM 6715 HB3 LEU C 138 79.645 59.965 106.833 1.00 96.99 H -ATOM 6716 HG LEU C 138 79.797 62.473 108.540 1.00 95.25 H -ATOM 6717 HD11 LEU C 138 81.003 63.384 106.603 1.00 92.63 H -ATOM 6718 HD12 LEU C 138 81.891 62.060 107.383 1.00 92.63 H -ATOM 6719 HD13 LEU C 138 81.028 61.783 105.851 1.00 92.63 H -ATOM 6720 HD21 LEU C 138 78.661 63.565 106.642 1.00 88.87 H -ATOM 6721 HD22 LEU C 138 78.566 62.016 105.782 1.00 88.87 H -ATOM 6722 HD23 LEU C 138 77.631 62.284 107.277 1.00 88.87 H -ATOM 6723 N THR C 139 79.191 57.635 109.171 1.00 72.34 N -ATOM 6724 CA THR C 139 79.200 56.176 109.103 1.00 73.06 C -ATOM 6725 C THR C 139 77.867 55.609 109.574 1.00 67.30 C -ATOM 6726 O THR C 139 77.265 54.812 108.867 1.00 62.59 O -ATOM 6727 CB THR C 139 80.356 55.605 109.933 1.00 86.39 C -ATOM 6728 OG1 THR C 139 81.575 56.120 109.457 1.00 83.95 O -ATOM 6729 CG2 THR C 139 80.451 54.084 109.869 1.00 86.10 C -ATOM 6730 H THR C 139 79.809 58.097 109.821 1.00 86.81 H -ATOM 6731 HA THR C 139 79.338 55.871 108.066 1.00 87.67 H -ATOM 6732 HB THR C 139 80.236 55.902 110.974 1.00103.66 H -ATOM 6733 HG1 THR C 139 81.604 57.046 109.704 1.00100.74 H -ATOM 6734 HG21 THR C 139 81.354 53.750 110.376 1.00103.32 H -ATOM 6735 HG22 THR C 139 79.593 53.633 110.363 1.00103.32 H -ATOM 6736 HG23 THR C 139 80.481 53.755 108.833 1.00103.32 H -ATOM 6737 N ALA C 140 77.362 56.046 110.726 1.00 62.89 N -ATOM 6738 CA ALA C 140 76.056 55.630 111.217 1.00 68.37 C -ATOM 6739 C ALA C 140 74.926 56.044 110.262 1.00 57.85 C -ATOM 6740 O ALA C 140 74.046 55.246 109.949 1.00 57.44 O -ATOM 6741 CB ALA C 140 75.876 56.225 112.612 1.00 78.02 C -ATOM 6742 H ALA C 140 77.877 56.727 111.264 1.00 75.47 H -ATOM 6743 HA ALA C 140 76.042 54.543 111.301 1.00 82.04 H -ATOM 6744 HB1 ALA C 140 74.918 55.910 113.020 1.00 93.62 H -ATOM 6745 HB2 ALA C 140 76.674 55.868 113.259 1.00 93.62 H -ATOM 6746 HB3 ALA C 140 75.904 57.312 112.570 1.00 93.62 H -ATOM 6747 N GLU C 141 74.993 57.260 109.732 1.00 61.26 N -ATOM 6748 CA GLU C 141 74.068 57.762 108.727 1.00 62.04 C -ATOM 6749 C GLU C 141 74.061 56.806 107.526 1.00 52.50 C -ATOM 6750 O GLU C 141 73.044 56.191 107.206 1.00 55.29 O -ATOM 6751 CB GLU C 141 74.458 59.216 108.368 1.00 69.40 C -ATOM 6752 CG GLU C 141 74.113 60.201 109.504 1.00 75.41 C -ATOM 6753 CD GLU C 141 74.756 61.603 109.386 1.00 69.26 C -ATOM 6754 OE1 GLU C 141 75.998 61.721 109.440 1.00 68.76 O -ATOM 6755 OE2 GLU C 141 74.010 62.605 109.295 1.00 66.33 O -ATOM 6756 H GLU C 141 75.741 57.868 110.030 1.00 73.51 H -ATOM 6757 HA GLU C 141 73.057 57.764 109.134 1.00 74.44 H -ATOM 6758 HB2 GLU C 141 75.525 59.264 108.156 1.00 83.27 H -ATOM 6759 HB3 GLU C 141 73.922 59.522 107.471 1.00 83.27 H -ATOM 6760 HG2 GLU C 141 73.028 60.295 109.536 1.00 90.50 H -ATOM 6761 HG3 GLU C 141 74.415 59.770 110.457 1.00 90.50 H -ATOM 6762 N LEU C 142 75.226 56.554 106.931 1.00 57.12 N -ATOM 6763 CA LEU C 142 75.375 55.616 105.825 1.00 54.44 C -ATOM 6764 C LEU C 142 74.976 54.191 106.181 1.00 54.10 C -ATOM 6765 O LEU C 142 74.426 53.511 105.324 1.00 50.85 O -ATOM 6766 CB LEU C 142 76.817 55.653 105.319 1.00 61.82 C -ATOM 6767 CG LEU C 142 77.099 56.898 104.466 1.00 67.48 C -ATOM 6768 CD1 LEU C 142 78.601 57.040 104.246 1.00 72.20 C -ATOM 6769 CD2 LEU C 142 76.412 56.789 103.103 1.00 61.65 C -ATOM 6770 H LEU C 142 76.048 57.032 107.270 1.00 68.54 H -ATOM 6771 HA LEU C 142 74.708 55.912 105.017 1.00 65.33 H -ATOM 6772 HB2 LEU C 142 77.495 55.626 106.172 1.00 74.19 H -ATOM 6773 HB3 LEU C 142 77.015 54.768 104.715 1.00 74.19 H -ATOM 6774 HG LEU C 142 76.746 57.793 104.978 1.00 80.97 H -ATOM 6775 HD11 LEU C 142 78.800 57.905 103.618 1.00 86.64 H -ATOM 6776 HD12 LEU C 142 79.096 57.181 105.203 1.00 86.64 H -ATOM 6777 HD13 LEU C 142 78.998 56.151 103.762 1.00 86.64 H -ATOM 6778 HD21 LEU C 142 76.746 57.592 102.448 1.00 73.98 H -ATOM 6779 HD22 LEU C 142 76.671 55.843 102.632 1.00 73.98 H -ATOM 6780 HD23 LEU C 142 75.331 56.855 103.204 1.00 73.98 H -ATOM 6781 N LYS C 143 75.187 53.725 107.411 1.00 56.94 N -ATOM 6782 CA LYS C 143 74.730 52.401 107.844 1.00 54.99 C -ATOM 6783 C LYS C 143 73.219 52.315 107.752 1.00 50.69 C -ATOM 6784 O LYS C 143 72.714 51.376 107.147 1.00 50.34 O -ATOM 6785 CB LYS C 143 75.220 52.097 109.266 1.00 65.71 C -ATOM 6786 CG LYS C 143 74.798 50.687 109.718 1.00 73.55 C -ATOM 6787 CD LYS C 143 75.139 50.453 111.192 1.00 78.49 C -ATOM 6788 CE LYS C 143 74.611 49.091 111.656 1.00 75.57 C -ATOM 6789 NZ LYS C 143 74.654 48.992 113.133 1.00 69.74 N -ATOM 6790 H LYS C 143 75.691 54.309 108.061 1.00 68.33 H -ATOM 6791 HA LYS C 143 75.139 51.647 107.173 1.00 65.98 H -ATOM 6792 HB2 LYS C 143 76.306 52.169 109.299 1.00 78.85 H -ATOM 6793 HB3 LYS C 143 74.806 52.828 109.958 1.00 78.85 H -ATOM 6794 HG2 LYS C 143 73.722 50.567 109.601 1.00 88.26 H -ATOM 6795 HG3 LYS C 143 75.299 49.942 109.103 1.00 88.26 H -ATOM 6796 HD2 LYS C 143 76.217 50.494 111.328 1.00 94.18 H -ATOM 6797 HD3 LYS C 143 74.678 51.243 111.781 1.00 94.18 H -ATOM 6798 HE2 LYS C 143 73.586 48.974 111.308 1.00 90.69 H -ATOM 6799 HE3 LYS C 143 75.212 48.308 111.197 1.00 90.69 H -ATOM 6800 HZ1 LYS C 143 74.342 48.086 113.447 1.00 83.69 H -ATOM 6801 HZ2 LYS C 143 75.592 49.137 113.473 1.00 83.69 H -ATOM 6802 HZ3 LYS C 143 74.064 49.702 113.540 1.00 83.69 H -ATOM 6803 N VAL C 144 72.505 53.307 108.274 1.00 50.41 N -ATOM 6804 CA VAL C 144 71.041 53.344 108.208 1.00 53.66 C -ATOM 6805 C VAL C 144 70.572 53.337 106.754 1.00 59.00 C -ATOM 6806 O VAL C 144 69.780 52.474 106.372 1.00 49.85 O -ATOM 6807 CB VAL C 144 70.493 54.537 109.007 1.00 54.22 C -ATOM 6808 CG1 VAL C 144 68.991 54.740 108.800 1.00 55.04 C -ATOM 6809 CG2 VAL C 144 70.725 54.295 110.502 1.00 60.26 C -ATOM 6810 H VAL C 144 72.994 54.069 108.720 1.00 60.50 H -ATOM 6811 HA VAL C 144 70.649 52.433 108.660 1.00 64.39 H -ATOM 6812 HB VAL C 144 71.009 55.451 108.711 1.00 65.06 H -ATOM 6813 HG11 VAL C 144 68.619 55.497 109.489 1.00 66.05 H -ATOM 6814 HG12 VAL C 144 68.791 55.083 107.786 1.00 66.05 H -ATOM 6815 HG13 VAL C 144 68.459 53.806 108.977 1.00 66.05 H -ATOM 6816 HG21 VAL C 144 70.380 55.157 111.072 1.00 72.32 H -ATOM 6817 HG22 VAL C 144 70.178 53.411 110.829 1.00 72.32 H -ATOM 6818 HG23 VAL C 144 71.785 54.155 110.710 1.00 72.32 H -ATOM 6819 N TYR C 145 71.139 54.191 105.898 1.00 48.53 N -ATOM 6820 CA TYR C 145 70.828 54.147 104.469 1.00 45.43 C -ATOM 6821 C TYR C 145 71.145 52.776 103.868 1.00 46.01 C -ATOM 6822 O TYR C 145 70.350 52.244 103.105 1.00 48.60 O -ATOM 6823 CB TYR C 145 71.576 55.254 103.720 1.00 40.92 C -ATOM 6824 CG TYR C 145 71.124 56.653 104.077 1.00 40.16 C -ATOM 6825 CD1 TYR C 145 69.822 57.068 103.753 1.00 43.19 C -ATOM 6826 CD2 TYR C 145 71.991 57.540 104.733 1.00 40.16 C -ATOM 6827 CE1 TYR C 145 69.389 58.364 104.086 1.00 38.49 C -ATOM 6828 CE2 TYR C 145 71.546 58.818 105.115 1.00 41.12 C -ATOM 6829 CZ TYR C 145 70.248 59.240 104.774 1.00 39.79 C -ATOM 6830 OH TYR C 145 69.829 60.487 105.107 1.00 45.49 O -ATOM 6831 H TYR C 145 71.778 54.889 106.249 1.00 58.24 H -ATOM 6832 HA TYR C 145 69.758 54.308 104.340 1.00 54.51 H -ATOM 6833 HB2 TYR C 145 72.645 55.153 103.904 1.00 49.11 H -ATOM 6834 HB3 TYR C 145 71.415 55.118 102.651 1.00 49.11 H -ATOM 6835 HD1 TYR C 145 69.150 56.393 103.244 1.00 51.82 H -ATOM 6836 HD2 TYR C 145 73.002 57.240 104.960 1.00 48.19 H -ATOM 6837 HE1 TYR C 145 68.395 58.692 103.822 1.00 46.19 H -ATOM 6838 HE2 TYR C 145 72.197 59.475 105.672 1.00 49.34 H -ATOM 6839 HH TYR C 145 70.557 61.029 105.403 1.00 54.59 H -ATOM 6840 N SER C 146 72.261 52.158 104.241 1.00 45.22 N -ATOM 6841 CA SER C 146 72.683 50.865 103.700 1.00 44.80 C -ATOM 6842 C SER C 146 71.732 49.745 104.097 1.00 44.72 C -ATOM 6843 O SER C 146 71.389 48.916 103.260 1.00 47.74 O -ATOM 6844 CB SER C 146 74.100 50.513 104.148 1.00 41.71 C -ATOM 6845 OG SER C 146 75.005 51.508 103.717 1.00 45.13 O -ATOM 6846 H SER C 146 72.868 52.630 104.896 1.00 54.26 H -ATOM 6847 HA SER C 146 72.681 50.924 102.612 1.00 53.77 H -ATOM 6848 HB2 SER C 146 74.141 50.427 105.233 1.00 50.05 H -ATOM 6849 HB3 SER C 146 74.383 49.558 103.709 1.00 50.05 H -ATOM 6850 HG SER C 146 74.848 52.290 104.249 1.00 54.16 H -ATOM 6851 N VAL C 147 71.238 49.729 105.335 1.00 51.15 N -ATOM 6852 CA VAL C 147 70.208 48.771 105.773 1.00 50.98 C -ATOM 6853 C VAL C 147 68.910 48.981 104.989 1.00 46.92 C -ATOM 6854 O VAL C 147 68.328 48.031 104.469 1.00 48.77 O -ATOM 6855 CB VAL C 147 69.976 48.861 107.296 1.00 56.98 C -ATOM 6856 CG1 VAL C 147 68.774 48.017 107.736 1.00 55.74 C -ATOM 6857 CG2 VAL C 147 71.217 48.356 108.043 1.00 58.53 C -ATOM 6858 H VAL C 147 71.562 50.424 105.991 1.00 61.38 H -ATOM 6859 HA VAL C 147 70.550 47.761 105.551 1.00 61.17 H -ATOM 6860 HB VAL C 147 69.794 49.898 107.577 1.00 68.37 H -ATOM 6861 HG11 VAL C 147 68.734 47.938 108.822 1.00 66.88 H -ATOM 6862 HG12 VAL C 147 67.846 48.476 107.398 1.00 66.88 H -ATOM 6863 HG13 VAL C 147 68.853 47.014 107.320 1.00 66.88 H -ATOM 6864 HG21 VAL C 147 71.071 48.451 109.117 1.00 70.24 H -ATOM 6865 HG22 VAL C 147 71.400 47.312 107.801 1.00 70.24 H -ATOM 6866 HG23 VAL C 147 72.093 48.940 107.769 1.00 70.24 H -ATOM 6867 N ILE C 148 68.503 50.231 104.800 1.00 42.93 N -ATOM 6868 CA ILE C 148 67.313 50.547 104.016 1.00 49.38 C -ATOM 6869 C ILE C 148 67.491 50.072 102.565 1.00 57.08 C -ATOM 6870 O ILE C 148 66.668 49.323 102.045 1.00 54.94 O -ATOM 6871 CB ILE C 148 67.001 52.046 104.162 1.00 53.66 C -ATOM 6872 CG1 ILE C 148 66.576 52.357 105.615 1.00 58.09 C -ATOM 6873 CG2 ILE C 148 65.907 52.494 103.180 1.00 54.09 C -ATOM 6874 CD1 ILE C 148 66.622 53.851 105.943 1.00 58.03 C -ATOM 6875 H ILE C 148 69.015 50.983 105.237 1.00 51.52 H -ATOM 6876 HA ILE C 148 66.470 49.989 104.424 1.00 59.25 H -ATOM 6877 HB ILE C 148 67.907 52.609 103.938 1.00 64.39 H -ATOM 6878 HG12 ILE C 148 65.568 51.982 105.791 1.00 69.71 H -ATOM 6879 HG13 ILE C 148 67.238 51.854 106.318 1.00 69.71 H -ATOM 6880 HG21 ILE C 148 65.661 53.544 103.329 1.00 64.91 H -ATOM 6881 HG22 ILE C 148 66.258 52.386 102.156 1.00 64.91 H -ATOM 6882 HG23 ILE C 148 65.009 51.896 103.317 1.00 64.91 H -ATOM 6883 HD11 ILE C 148 66.451 53.989 107.008 1.00 69.64 H -ATOM 6884 HD12 ILE C 148 67.597 54.259 105.686 1.00 69.64 H -ATOM 6885 HD13 ILE C 148 65.847 54.389 105.402 1.00 69.64 H -ATOM 6886 N GLN C 149 68.619 50.379 101.928 1.00 51.00 N -ATOM 6887 CA GLN C 149 68.933 49.881 100.585 1.00 50.11 C -ATOM 6888 C GLN C 149 68.982 48.353 100.526 1.00 52.09 C -ATOM 6889 O GLN C 149 68.555 47.756 99.541 1.00 50.72 O -ATOM 6890 CB GLN C 149 70.247 50.476 100.076 1.00 43.78 C -ATOM 6891 CG GLN C 149 70.068 51.956 99.719 1.00 43.91 C -ATOM 6892 CD GLN C 149 71.323 52.553 99.101 1.00 43.99 C -ATOM 6893 OE1 GLN C 149 72.011 51.936 98.305 1.00 42.22 O -ATOM 6894 NE2 GLN C 149 71.662 53.779 99.429 1.00 44.37 N -ATOM 6895 H GLN C 149 69.284 50.979 102.394 1.00 61.20 H -ATOM 6896 HA GLN C 149 68.147 50.209 99.905 1.00 60.13 H -ATOM 6897 HB2 GLN C 149 71.028 50.363 100.827 1.00 52.54 H -ATOM 6898 HB3 GLN C 149 70.544 49.932 99.180 1.00 52.54 H -ATOM 6899 HG2 GLN C 149 69.259 52.062 98.998 1.00 52.70 H -ATOM 6900 HG3 GLN C 149 69.796 52.518 100.611 1.00 52.70 H -ATOM 6901 HE21 GLN C 149 72.509 54.155 99.031 1.00 53.25 H -ATOM 6902 HE22 GLN C 149 71.130 54.299 100.111 1.00 53.25 H -ATOM 6903 N SER C 150 69.423 47.700 101.597 1.00 56.04 N -ATOM 6904 CA SER C 150 69.429 46.242 101.682 1.00 50.95 C -ATOM 6905 C SER C 150 68.013 45.661 101.669 1.00 50.49 C -ATOM 6906 O SER C 150 67.803 44.636 101.029 1.00 53.85 O -ATOM 6907 CB SER C 150 70.203 45.775 102.917 1.00 50.88 C -ATOM 6908 OG SER C 150 71.521 46.292 102.897 1.00 50.29 O -ATOM 6909 H SER C 150 69.759 48.238 102.381 1.00 67.24 H -ATOM 6910 HA SER C 150 69.945 45.849 100.807 1.00 61.13 H -ATOM 6911 HB2 SER C 150 69.697 46.096 103.826 1.00 61.05 H -ATOM 6912 HB3 SER C 150 70.251 44.687 102.914 1.00 61.05 H -ATOM 6913 HG SER C 150 71.474 47.243 103.002 1.00 60.35 H -ATOM 6914 N GLN C 151 67.014 46.328 102.261 1.00 47.99 N -ATOM 6915 CA GLN C 151 65.612 45.955 102.026 1.00 51.69 C -ATOM 6916 C GLN C 151 65.178 46.258 100.593 1.00 58.29 C -ATOM 6917 O GLN C 151 64.568 45.415 99.940 1.00 53.17 O -ATOM 6918 CB GLN C 151 64.659 46.670 102.990 1.00 57.14 C -ATOM 6919 CG GLN C 151 64.742 46.114 104.417 1.00 58.46 C -ATOM 6920 CD GLN C 151 63.511 46.434 105.263 1.00 52.81 C -ATOM 6921 OE1 GLN C 151 62.453 46.826 104.790 1.00 48.70 O -ATOM 6922 NE2 GLN C 151 63.592 46.267 106.560 1.00 57.45 N -ATOM 6923 H GLN C 151 67.222 47.163 102.787 1.00 57.58 H -ATOM 6924 HA GLN C 151 65.497 44.881 102.169 1.00 62.02 H -ATOM 6925 HB2 GLN C 151 64.847 47.742 103.001 1.00 68.57 H -ATOM 6926 HB3 GLN C 151 63.649 46.510 102.614 1.00 68.57 H -ATOM 6927 HG2 GLN C 151 64.837 45.030 104.373 1.00 70.15 H -ATOM 6928 HG3 GLN C 151 65.631 46.513 104.902 1.00 70.15 H -ATOM 6929 HE21 GLN C 151 62.777 46.474 107.117 1.00 68.95 H -ATOM 6930 HE22 GLN C 151 64.447 45.933 106.979 1.00 68.95 H -ATOM 6931 N ILE C 152 65.512 47.444 100.089 1.00 48.44 N -ATOM 6932 CA ILE C 152 65.103 47.907 98.761 1.00 53.18 C -ATOM 6933 C ILE C 152 65.528 46.916 97.676 1.00 55.74 C -ATOM 6934 O ILE C 152 64.694 46.436 96.912 1.00 54.06 O -ATOM 6935 CB ILE C 152 65.671 49.319 98.521 1.00 53.20 C -ATOM 6936 CG1 ILE C 152 64.922 50.340 99.400 1.00 55.92 C -ATOM 6937 CG2 ILE C 152 65.626 49.748 97.052 1.00 57.01 C -ATOM 6938 CD1 ILE C 152 65.526 51.750 99.408 1.00 54.43 C -ATOM 6939 H ILE C 152 65.995 48.089 100.698 1.00 58.13 H -ATOM 6940 HA ILE C 152 64.016 47.963 98.725 1.00 63.82 H -ATOM 6941 HB ILE C 152 66.724 49.309 98.802 1.00 63.84 H -ATOM 6942 HG12 ILE C 152 63.890 50.407 99.057 1.00 67.10 H -ATOM 6943 HG13 ILE C 152 64.888 49.987 100.430 1.00 67.10 H -ATOM 6944 HG21 ILE C 152 66.099 50.724 96.952 1.00 68.41 H -ATOM 6945 HG22 ILE C 152 66.197 49.065 96.424 1.00 68.41 H -ATOM 6946 HG23 ILE C 152 64.596 49.797 96.701 1.00 68.41 H -ATOM 6947 HD11 ILE C 152 64.995 52.361 100.135 1.00 65.32 H -ATOM 6948 HD12 ILE C 152 66.578 51.713 99.682 1.00 65.32 H -ATOM 6949 HD13 ILE C 152 65.418 52.224 98.435 1.00 65.32 H -ATOM 6950 N ASN C 153 66.809 46.563 97.619 1.00 51.79 N -ATOM 6951 CA ASN C 153 67.328 45.684 96.577 1.00 49.50 C -ATOM 6952 C ASN C 153 66.695 44.298 96.626 1.00 49.03 C -ATOM 6953 O ASN C 153 66.375 43.726 95.585 1.00 55.88 O -ATOM 6954 CB ASN C 153 68.848 45.594 96.723 1.00 51.94 C -ATOM 6955 CG ASN C 153 69.540 46.879 96.323 1.00 63.58 C -ATOM 6956 OD1 ASN C 153 69.077 47.616 95.468 1.00 63.29 O -ATOM 6957 ND2 ASN C 153 70.672 47.179 96.913 1.00 69.11 N -ATOM 6958 H ASN C 153 67.452 46.975 98.278 1.00 62.14 H -ATOM 6959 HA ASN C 153 67.086 46.101 95.600 1.00 59.41 H -ATOM 6960 HB2 ASN C 153 69.107 45.340 97.749 1.00 62.32 H -ATOM 6961 HB3 ASN C 153 69.227 44.807 96.073 1.00 62.32 H -ATOM 6962 HD21 ASN C 153 71.155 48.018 96.631 1.00 82.93 H -ATOM 6963 HD22 ASN C 153 71.068 46.559 97.602 1.00 82.93 H -ATOM 6964 N ALA C 154 66.452 43.774 97.823 1.00 51.13 N -ATOM 6965 CA ALA C 154 65.738 42.519 97.982 1.00 56.88 C -ATOM 6966 C ALA C 154 64.289 42.648 97.482 1.00 55.40 C -ATOM 6967 O ALA C 154 63.854 41.837 96.669 1.00 57.27 O -ATOM 6968 CB ALA C 154 65.826 42.081 99.446 1.00 62.37 C -ATOM 6969 H ALA C 154 66.722 44.287 98.650 1.00 61.35 H -ATOM 6970 HA ALA C 154 66.228 41.757 97.376 1.00 68.26 H -ATOM 6971 HB1 ALA C 154 65.313 41.131 99.574 1.00 74.85 H -ATOM 6972 HB2 ALA C 154 66.867 41.955 99.731 1.00 74.85 H -ATOM 6973 HB3 ALA C 154 65.364 42.823 100.093 1.00 74.85 H -ATOM 6974 N ALA C 155 63.567 43.699 97.875 1.00 52.06 N -ATOM 6975 CA ALA C 155 62.185 43.927 97.462 1.00 55.26 C -ATOM 6976 C ALA C 155 62.055 43.990 95.939 1.00 57.21 C -ATOM 6977 O ALA C 155 61.273 43.244 95.355 1.00 59.38 O -ATOM 6978 CB ALA C 155 61.684 45.214 98.119 1.00 58.63 C -ATOM 6979 H ALA C 155 63.981 44.358 98.518 1.00 62.47 H -ATOM 6980 HA ALA C 155 61.572 43.098 97.815 1.00 66.31 H -ATOM 6981 HB1 ALA C 155 60.646 45.384 97.838 1.00 70.36 H -ATOM 6982 HB2 ALA C 155 61.748 45.125 99.201 1.00 70.36 H -ATOM 6983 HB3 ALA C 155 62.280 46.066 97.797 1.00 70.36 H -ATOM 6984 N LEU C 156 62.898 44.794 95.288 1.00 55.90 N -ATOM 6985 CA LEU C 156 62.986 44.878 93.829 1.00 65.48 C -ATOM 6986 C LEU C 156 63.260 43.509 93.195 1.00 61.19 C -ATOM 6987 O LEU C 156 62.567 43.106 92.266 1.00 58.24 O -ATOM 6988 CB LEU C 156 64.127 45.837 93.457 1.00 63.77 C -ATOM 6989 CG LEU C 156 63.833 47.324 93.690 1.00 64.32 C -ATOM 6990 CD1 LEU C 156 65.133 48.120 93.618 1.00 60.00 C -ATOM 6991 CD2 LEU C 156 62.901 47.858 92.610 1.00 59.33 C -ATOM 6992 H LEU C 156 63.516 45.368 95.843 1.00 67.08 H -ATOM 6993 HA LEU C 156 62.043 45.246 93.428 1.00 78.58 H -ATOM 6994 HB2 LEU C 156 65.008 45.557 94.034 1.00 76.53 H -ATOM 6995 HB3 LEU C 156 64.377 45.698 92.406 1.00 76.53 H -ATOM 6996 HG LEU C 156 63.384 47.475 94.671 1.00 77.18 H -ATOM 6997 HD11 LEU C 156 64.929 49.173 93.806 1.00 72.00 H -ATOM 6998 HD12 LEU C 156 65.829 47.761 94.374 1.00 72.00 H -ATOM 6999 HD13 LEU C 156 65.587 48.013 92.635 1.00 72.00 H -ATOM 7000 HD21 LEU C 156 62.857 48.945 92.671 1.00 71.19 H -ATOM 7001 HD22 LEU C 156 63.269 47.585 91.622 1.00 71.19 H -ATOM 7002 HD23 LEU C 156 61.901 47.450 92.757 1.00 71.19 H -ATOM 7003 N SER C 157 64.240 42.769 93.714 1.00 59.42 N -ATOM 7004 CA SER C 157 64.605 41.444 93.194 1.00 55.00 C -ATOM 7005 C SER C 157 63.472 40.429 93.366 1.00 52.09 C -ATOM 7006 O SER C 157 63.300 39.538 92.538 1.00 54.02 O -ATOM 7007 CB SER C 157 65.874 40.928 93.878 1.00 57.49 C -ATOM 7008 OG SER C 157 66.940 41.849 93.730 1.00 56.01 O -ATOM 7009 H SER C 157 64.767 43.147 94.488 1.00 71.30 H -ATOM 7010 HA SER C 157 64.811 41.529 92.128 1.00 66.00 H -ATOM 7011 HB2 SER C 157 65.683 40.768 94.938 1.00 68.98 H -ATOM 7012 HB3 SER C 157 66.158 39.979 93.427 1.00 68.98 H -ATOM 7013 HG SER C 157 66.799 42.558 94.357 1.00 67.21 H -ATOM 7014 N ALA C 158 62.658 40.597 94.406 1.00 57.20 N -ATOM 7015 CA ALA C 158 61.437 39.844 94.666 1.00 61.78 C -ATOM 7016 C ALA C 158 60.186 40.420 93.967 1.00 59.10 C -ATOM 7017 O ALA C 158 59.078 39.927 94.189 1.00 64.41 O -ATOM 7018 CB ALA C 158 61.273 39.768 96.189 1.00 65.81 C -ATOM 7019 H ALA C 158 62.898 41.311 95.077 1.00 68.64 H -ATOM 7020 HA ALA C 158 61.565 38.828 94.295 1.00 74.13 H -ATOM 7021 HB1 ALA C 158 60.401 39.165 96.441 1.00 78.97 H -ATOM 7022 HB2 ALA C 158 62.154 39.305 96.633 1.00 78.97 H -ATOM 7023 HB3 ALA C 158 61.156 40.769 96.605 1.00 78.97 H -ATOM 7024 N LYS C 159 60.329 41.467 93.144 1.00 56.23 N -ATOM 7025 CA LYS C 159 59.239 42.181 92.453 1.00 62.66 C -ATOM 7026 C LYS C 159 58.156 42.749 93.388 1.00 63.25 C -ATOM 7027 O LYS C 159 56.991 42.878 93.016 1.00 64.26 O -ATOM 7028 CB LYS C 159 58.656 41.325 91.318 1.00 64.30 C -ATOM 7029 CG LYS C 159 59.719 40.870 90.314 1.00 68.99 C -ATOM 7030 CD LYS C 159 59.056 40.169 89.126 1.00 78.58 C -ATOM 7031 CE LYS C 159 60.115 39.693 88.131 1.00 84.60 C -ATOM 7032 NZ LYS C 159 59.491 39.055 86.948 1.00 82.21 N -ATOM 7033 H LYS C 159 61.260 41.836 93.020 1.00 67.47 H -ATOM 7034 HA LYS C 159 59.687 43.059 91.989 1.00 75.20 H -ATOM 7035 HB2 LYS C 159 58.153 40.453 91.731 1.00 77.16 H -ATOM 7036 HB3 LYS C 159 57.916 41.918 90.783 1.00 77.16 H -ATOM 7037 HG2 LYS C 159 60.269 41.739 89.956 1.00 82.79 H -ATOM 7038 HG3 LYS C 159 60.412 40.181 90.794 1.00 82.79 H -ATOM 7039 HD2 LYS C 159 58.488 39.312 89.488 1.00 94.30 H -ATOM 7040 HD3 LYS C 159 58.378 40.863 88.631 1.00 94.30 H -ATOM 7041 HE2 LYS C 159 60.716 40.547 87.823 1.00101.52 H -ATOM 7042 HE3 LYS C 159 60.774 38.985 88.632 1.00101.52 H -ATOM 7043 HZ1 LYS C 159 60.192 38.726 86.301 1.00 98.65 H -ATOM 7044 HZ2 LYS C 159 58.927 38.263 87.217 1.00 98.65 H -ATOM 7045 HZ3 LYS C 159 58.897 39.703 86.453 1.00 98.65 H -ATOM 7046 N GLN C 160 58.523 43.054 94.627 1.00 60.56 N -ATOM 7047 CA GLN C 160 57.643 43.650 95.630 1.00 61.08 C -ATOM 7048 C GLN C 160 57.736 45.180 95.613 1.00 61.01 C -ATOM 7049 O GLN C 160 58.760 45.741 95.229 1.00 60.87 O -ATOM 7050 CB GLN C 160 58.012 43.125 97.028 1.00 69.41 C -ATOM 7051 CG GLN C 160 58.025 41.593 97.144 1.00 73.53 C -ATOM 7052 CD GLN C 160 56.701 40.943 96.750 1.00 79.91 C -ATOM 7053 OE1 GLN C 160 55.671 41.139 97.379 1.00 78.57 O -ATOM 7054 NE2 GLN C 160 56.670 40.141 95.712 1.00 76.01 N -ATOM 7055 H GLN C 160 59.505 42.983 94.848 1.00 72.67 H -ATOM 7056 HA GLN C 160 56.610 43.374 95.422 1.00 73.30 H -ATOM 7057 HB2 GLN C 160 59.000 43.495 97.297 1.00 83.29 H -ATOM 7058 HB3 GLN C 160 57.299 43.520 97.751 1.00 83.29 H -ATOM 7059 HG2 GLN C 160 58.827 41.192 96.526 1.00 88.23 H -ATOM 7060 HG3 GLN C 160 58.246 41.323 98.175 1.00 88.23 H -ATOM 7061 HE21 GLN C 160 55.793 39.706 95.469 1.00 91.21 H -ATOM 7062 HE22 GLN C 160 57.503 39.981 95.167 1.00 91.21 H -ATOM 7063 N GLY C 161 56.693 45.861 96.096 1.00 61.38 N -ATOM 7064 CA GLY C 161 56.780 47.270 96.502 1.00 59.15 C -ATOM 7065 C GLY C 161 57.520 47.465 97.836 1.00 57.69 C -ATOM 7066 O GLY C 161 57.982 46.503 98.452 1.00 57.73 O -ATOM 7067 H GLY C 161 55.878 45.341 96.387 1.00 73.66 H -ATOM 7068 HA2 GLY C 161 57.297 47.846 95.735 1.00 70.98 H -ATOM 7069 HA3 GLY C 161 55.776 47.679 96.606 1.00 70.98 H -ATOM 7070 N ILE C 162 57.600 48.708 98.311 1.00 52.08 N -ATOM 7071 CA ILE C 162 58.212 49.081 99.605 1.00 49.35 C -ATOM 7072 C ILE C 162 57.390 50.166 100.307 1.00 50.79 C -ATOM 7073 O ILE C 162 56.708 50.959 99.659 1.00 51.89 O -ATOM 7074 CB ILE C 162 59.692 49.523 99.449 1.00 53.16 C -ATOM 7075 CG1 ILE C 162 59.823 50.745 98.513 1.00 57.70 C -ATOM 7076 CG2 ILE C 162 60.578 48.352 99.006 1.00 50.72 C -ATOM 7077 CD1 ILE C 162 61.245 51.251 98.266 1.00 49.70 C -ATOM 7078 H ILE C 162 57.166 49.442 97.772 1.00 62.50 H -ATOM 7079 HA ILE C 162 58.197 48.212 100.263 1.00 59.22 H -ATOM 7080 HB ILE C 162 60.049 49.825 100.433 1.00 63.79 H -ATOM 7081 HG12 ILE C 162 59.384 50.498 97.546 1.00 69.23 H -ATOM 7082 HG13 ILE C 162 59.257 51.574 98.934 1.00 69.23 H -ATOM 7083 HG21 ILE C 162 61.629 48.611 99.125 1.00 60.87 H -ATOM 7084 HG22 ILE C 162 60.375 47.481 99.629 1.00 60.87 H -ATOM 7085 HG23 ILE C 162 60.384 48.100 97.964 1.00 60.87 H -ATOM 7086 HD11 ILE C 162 61.189 52.121 97.613 1.00 59.64 H -ATOM 7087 HD12 ILE C 162 61.709 51.534 99.210 1.00 59.64 H -ATOM 7088 HD13 ILE C 162 61.844 50.489 97.769 1.00 59.64 H -ATOM 7089 N ARG C 163 57.473 50.238 101.636 1.00 46.20 N -ATOM 7090 CA ARG C 163 56.779 51.245 102.448 1.00 47.91 C -ATOM 7091 C ARG C 163 57.738 52.118 103.232 1.00 50.36 C -ATOM 7092 O ARG C 163 58.620 51.604 103.911 1.00 50.07 O -ATOM 7093 CB ARG C 163 55.812 50.556 103.406 1.00 56.94 C -ATOM 7094 CG ARG C 163 54.561 50.080 102.670 1.00 63.95 C -ATOM 7095 CD ARG C 163 53.548 49.601 103.704 1.00 72.15 C -ATOM 7096 NE ARG C 163 52.252 49.310 103.096 1.00 78.66 N -ATOM 7097 CZ ARG C 163 51.243 48.690 103.654 1.00 83.13 C -ATOM 7098 NH1 ARG C 163 50.151 48.578 102.968 1.00 76.77 N -ATOM 7099 NH2 ARG C 163 51.290 48.196 104.858 1.00 88.62 N -ATOM 7100 H ARG C 163 58.064 49.572 102.112 1.00 55.44 H -ATOM 7101 HA ARG C 163 56.205 51.913 101.806 1.00 57.50 H -ATOM 7102 HB2 ARG C 163 56.300 49.714 103.896 1.00 68.33 H -ATOM 7103 HB3 ARG C 163 55.512 51.275 104.166 1.00 68.33 H -ATOM 7104 HG2 ARG C 163 54.135 50.916 102.116 1.00 76.74 H -ATOM 7105 HG3 ARG C 163 54.808 49.272 101.983 1.00 76.74 H -ATOM 7106 HD2 ARG C 163 53.943 48.710 104.191 1.00 86.58 H -ATOM 7107 HD3 ARG C 163 53.407 50.393 104.438 1.00 86.58 H -ATOM 7108 HE ARG C 163 52.066 49.654 102.166 1.00 94.40 H -ATOM 7109 HH11 ARG C 163 50.145 48.977 102.042 1.00 92.12 H -ATOM 7110 HH12 ARG C 163 49.340 48.119 103.351 1.00 92.12 H -ATOM 7111 HH21 ARG C 163 52.141 48.266 105.396 1.00106.35 H -ATOM 7112 HH22 ARG C 163 50.485 47.715 105.229 1.00106.35 H -ATOM 7113 N ILE C 164 57.519 53.429 103.190 1.00 50.85 N -ATOM 7114 CA ILE C 164 58.282 54.392 103.995 1.00 53.16 C -ATOM 7115 C ILE C 164 57.559 54.847 105.263 1.00 61.36 C -ATOM 7116 O ILE C 164 58.180 55.435 106.143 1.00 61.81 O -ATOM 7117 CB ILE C 164 58.693 55.617 103.159 1.00 55.72 C -ATOM 7118 CG1 ILE C 164 57.508 56.468 102.656 1.00 56.98 C -ATOM 7119 CG2 ILE C 164 59.594 55.169 102.005 1.00 59.52 C -ATOM 7120 CD1 ILE C 164 57.933 57.872 102.215 1.00 59.98 C -ATOM 7121 H ILE C 164 56.752 53.771 102.631 1.00 61.03 H -ATOM 7122 HA ILE C 164 59.198 53.903 104.326 1.00 63.79 H -ATOM 7123 HB ILE C 164 59.295 56.251 103.810 1.00 66.86 H -ATOM 7124 HG12 ILE C 164 57.035 55.969 101.811 1.00 68.38 H -ATOM 7125 HG13 ILE C 164 56.766 56.582 103.445 1.00 68.38 H -ATOM 7126 HG21 ILE C 164 60.010 56.041 101.503 1.00 71.42 H -ATOM 7127 HG22 ILE C 164 60.417 54.566 102.385 1.00 71.42 H -ATOM 7128 HG23 ILE C 164 59.033 54.581 101.280 1.00 71.42 H -ATOM 7129 HD11 ILE C 164 57.046 58.463 101.989 1.00 71.97 H -ATOM 7130 HD12 ILE C 164 58.498 58.362 103.006 1.00 71.97 H -ATOM 7131 HD13 ILE C 164 58.555 57.824 101.323 1.00 71.97 H -ATOM 7132 N ASP C 165 56.247 54.657 105.326 1.00 61.93 N -ATOM 7133 CA ASP C 165 55.361 55.249 106.328 1.00 68.01 C -ATOM 7134 C ASP C 165 55.094 54.321 107.535 1.00 71.18 C -ATOM 7135 O ASP C 165 55.768 53.310 107.745 1.00 67.36 O -ATOM 7136 CB ASP C 165 54.062 55.661 105.603 1.00 71.25 C -ATOM 7137 CG ASP C 165 53.210 54.492 105.080 1.00 70.30 C -ATOM 7138 OD1 ASP C 165 53.579 53.319 105.292 1.00 65.48 O -ATOM 7139 OD2 ASP C 165 52.129 54.770 104.522 1.00 70.11 O -ATOM 7140 H ASP C 165 55.806 54.117 104.596 1.00 74.31 H -ATOM 7141 HA ASP C 165 55.817 56.158 106.719 1.00 81.61 H -ATOM 7142 HB2 ASP C 165 53.459 56.265 106.280 1.00 85.50 H -ATOM 7143 HB3 ASP C 165 54.332 56.305 104.767 1.00 85.50 H -ATOM 7144 N ALA C 166 54.074 54.658 108.331 1.00 71.49 N -ATOM 7145 CA ALA C 166 53.583 53.850 109.449 1.00 75.18 C -ATOM 7146 C ALA C 166 52.981 52.485 109.041 1.00 73.79 C -ATOM 7147 O ALA C 166 52.692 51.661 109.909 1.00 75.89 O -ATOM 7148 CB ALA C 166 52.564 54.695 110.220 1.00 72.82 C -ATOM 7149 H ALA C 166 53.579 55.516 108.138 1.00 85.78 H -ATOM 7150 HA ALA C 166 54.423 53.642 110.111 1.00 90.21 H -ATOM 7151 HB1 ALA C 166 52.242 54.157 111.110 1.00 87.38 H -ATOM 7152 HB2 ALA C 166 53.016 55.637 110.527 1.00 87.38 H -ATOM 7153 HB3 ALA C 166 51.696 54.897 109.595 1.00 87.38 H -ATOM 7154 N GLY C 167 52.793 52.215 107.748 1.00 62.97 N -ATOM 7155 CA GLY C 167 52.493 50.883 107.226 1.00 61.59 C -ATOM 7156 C GLY C 167 53.744 50.021 107.007 1.00 64.32 C -ATOM 7157 O GLY C 167 53.604 48.820 106.771 1.00 64.98 O -ATOM 7158 H GLY C 167 53.052 52.909 107.063 1.00 75.57 H -ATOM 7159 HA2 GLY C 167 51.820 50.358 107.902 1.00 73.91 H -ATOM 7160 HA3 GLY C 167 51.990 50.997 106.267 1.00 73.91 H -ATOM 7161 N GLY C 168 54.945 50.610 107.057 1.00 63.55 N -ATOM 7162 CA GLY C 168 56.248 49.933 107.026 1.00 60.11 C -ATOM 7163 C GLY C 168 56.892 49.765 108.411 1.00 54.25 C -ATOM 7164 O GLY C 168 56.240 49.909 109.446 1.00 54.93 O -ATOM 7165 H GLY C 168 54.965 51.605 107.225 1.00 76.26 H -ATOM 7166 HA2 GLY C 168 56.155 48.949 106.569 1.00 72.13 H -ATOM 7167 HA3 GLY C 168 56.927 50.522 106.411 1.00 72.13 H -ATOM 7168 N ILE C 169 58.188 49.447 108.440 1.00 52.74 N -ATOM 7169 CA ILE C 169 58.958 49.258 109.684 1.00 52.77 C -ATOM 7170 C ILE C 169 59.276 50.575 110.420 1.00 57.59 C -ATOM 7171 O ILE C 169 59.154 51.671 109.872 1.00 62.42 O -ATOM 7172 CB ILE C 169 60.241 48.425 109.441 1.00 46.26 C -ATOM 7173 CG1 ILE C 169 61.366 49.175 108.695 1.00 49.36 C -ATOM 7174 CG2 ILE C 169 59.919 47.095 108.743 1.00 47.03 C -ATOM 7175 CD1 ILE C 169 62.747 48.623 109.061 1.00 47.73 C -ATOM 7176 H ILE C 169 58.674 49.335 107.563 1.00 63.29 H -ATOM 7177 HA ILE C 169 58.339 48.671 110.361 1.00 63.32 H -ATOM 7178 HB ILE C 169 60.622 48.170 110.428 1.00 55.51 H -ATOM 7179 HG12 ILE C 169 61.215 49.099 107.620 1.00 59.23 H -ATOM 7180 HG13 ILE C 169 61.367 50.232 108.959 1.00 59.23 H -ATOM 7181 HG21 ILE C 169 60.786 46.437 108.766 1.00 56.44 H -ATOM 7182 HG22 ILE C 169 59.101 46.599 109.261 1.00 56.44 H -ATOM 7183 HG23 ILE C 169 59.632 47.261 107.707 1.00 56.44 H -ATOM 7184 HD11 ILE C 169 63.509 49.143 108.486 1.00 57.28 H -ATOM 7185 HD12 ILE C 169 62.939 48.781 110.121 1.00 57.28 H -ATOM 7186 HD13 ILE C 169 62.804 47.558 108.845 1.00 57.28 H -ATOM 7187 N ASP C 170 59.751 50.459 111.660 1.00 60.24 N -ATOM 7188 CA ASP C 170 60.338 51.546 112.449 1.00 61.74 C -ATOM 7189 C ASP C 170 61.859 51.376 112.547 1.00 63.30 C -ATOM 7190 O ASP C 170 62.360 50.267 112.739 1.00 64.84 O -ATOM 7191 CB ASP C 170 59.684 51.585 113.829 1.00 68.04 C -ATOM 7192 CG ASP C 170 60.158 52.794 114.637 1.00 71.09 C -ATOM 7193 OD1 ASP C 170 61.338 52.828 115.035 1.00 78.30 O -ATOM 7194 OD2 ASP C 170 59.327 53.692 114.868 1.00 71.44 O -ATOM 7195 H ASP C 170 59.829 49.531 112.048 1.00 72.29 H -ATOM 7196 HA ASP C 170 60.136 52.502 111.965 1.00 74.09 H -ATOM 7197 HB2 ASP C 170 58.603 51.634 113.702 1.00 81.64 H -ATOM 7198 HB3 ASP C 170 59.918 50.668 114.367 1.00 81.64 H -ATOM 7199 N LEU C 171 62.604 52.466 112.374 1.00 62.54 N -ATOM 7200 CA LEU C 171 64.064 52.412 112.311 1.00 67.48 C -ATOM 7201 C LEU C 171 64.749 52.281 113.680 1.00 64.99 C -ATOM 7202 O LEU C 171 65.885 51.823 113.746 1.00 69.63 O -ATOM 7203 CB LEU C 171 64.567 53.657 111.569 1.00 74.63 C -ATOM 7204 CG LEU C 171 64.018 53.817 110.138 1.00 69.92 C -ATOM 7205 CD1 LEU C 171 64.763 54.961 109.463 1.00 64.75 C -ATOM 7206 CD2 LEU C 171 64.227 52.565 109.285 1.00 68.65 C -ATOM 7207 H LEU C 171 62.145 53.361 112.294 1.00 75.05 H -ATOM 7208 HA LEU C 171 64.360 51.529 111.745 1.00 80.98 H -ATOM 7209 HB2 LEU C 171 64.304 54.543 112.146 1.00 89.56 H -ATOM 7210 HB3 LEU C 171 65.654 53.600 111.520 1.00 89.56 H -ATOM 7211 HG LEU C 171 62.956 54.056 110.167 1.00 83.91 H -ATOM 7212 HD11 LEU C 171 64.335 55.161 108.483 1.00 77.70 H -ATOM 7213 HD12 LEU C 171 64.681 55.850 110.083 1.00 77.70 H -ATOM 7214 HD13 LEU C 171 65.815 54.713 109.348 1.00 77.70 H -ATOM 7215 HD21 LEU C 171 63.979 52.770 108.246 1.00 82.38 H -ATOM 7216 HD22 LEU C 171 65.267 52.247 109.337 1.00 82.38 H -ATOM 7217 HD23 LEU C 171 63.584 51.761 109.638 1.00 82.38 H -ATOM 7218 N VAL C 172 64.092 52.673 114.771 1.00 65.71 N -ATOM 7219 CA VAL C 172 64.650 52.694 116.135 1.00 75.18 C -ATOM 7220 C VAL C 172 64.526 51.312 116.783 1.00 70.60 C -ATOM 7221 O VAL C 172 63.911 51.125 117.832 1.00 69.72 O -ATOM 7222 CB VAL C 172 64.036 53.823 116.990 1.00 81.48 C -ATOM 7223 CG1 VAL C 172 64.924 54.120 118.209 1.00 82.73 C -ATOM 7224 CG2 VAL C 172 63.891 55.117 116.175 1.00 80.31 C -ATOM 7225 H VAL C 172 63.120 52.924 114.675 1.00 78.86 H -ATOM 7226 HA VAL C 172 65.716 52.902 116.051 1.00 90.22 H -ATOM 7227 HB VAL C 172 63.045 53.536 117.338 1.00 97.78 H -ATOM 7228 HG11 VAL C 172 64.467 54.894 118.823 1.00 99.28 H -ATOM 7229 HG12 VAL C 172 65.043 53.229 118.823 1.00 99.28 H -ATOM 7230 HG13 VAL C 172 65.907 54.458 117.885 1.00 99.28 H -ATOM 7231 HG21 VAL C 172 63.689 55.961 116.828 1.00 96.37 H -ATOM 7232 HG22 VAL C 172 64.805 55.310 115.618 1.00 96.37 H -ATOM 7233 HG23 VAL C 172 63.064 55.014 115.477 1.00 96.37 H -ATOM 7234 N ASP C 173 65.061 50.310 116.098 1.00 72.55 N -ATOM 7235 CA ASP C 173 64.842 48.897 116.375 1.00 73.48 C -ATOM 7236 C ASP C 173 66.168 48.114 116.308 1.00 73.07 C -ATOM 7237 O ASP C 173 66.948 48.305 115.372 1.00 74.65 O -ATOM 7238 CB ASP C 173 63.801 48.391 115.368 1.00 76.68 C -ATOM 7239 CG ASP C 173 63.386 46.951 115.648 1.00 74.30 C -ATOM 7240 OD1 ASP C 173 64.250 46.055 115.545 1.00 75.44 O -ATOM 7241 OD2 ASP C 173 62.197 46.724 115.961 1.00 69.31 O -ATOM 7242 H ASP C 173 65.558 50.540 115.250 1.00 87.06 H -ATOM 7243 HA ASP C 173 64.417 48.792 117.372 1.00 88.17 H -ATOM 7244 HB2 ASP C 173 62.923 49.034 115.408 1.00 92.02 H -ATOM 7245 HB3 ASP C 173 64.216 48.452 114.362 1.00 92.02 H -ATOM 7246 N PRO C 174 66.458 47.213 117.261 1.00 73.44 N -ATOM 7247 CA PRO C 174 67.727 46.509 117.281 1.00 77.93 C -ATOM 7248 C PRO C 174 67.982 45.659 116.031 1.00 77.36 C -ATOM 7249 O PRO C 174 69.134 45.351 115.761 1.00 84.98 O -ATOM 7250 CB PRO C 174 67.700 45.670 118.559 1.00 85.74 C -ATOM 7251 CG PRO C 174 66.215 45.460 118.819 1.00 84.50 C -ATOM 7252 CD PRO C 174 65.636 46.799 118.381 1.00 75.72 C -ATOM 7253 HA PRO C 174 68.534 47.238 117.354 1.00 93.51 H -ATOM 7254 HB2 PRO C 174 68.234 44.728 118.449 1.00102.89 H -ATOM 7255 HB3 PRO C 174 68.120 46.255 119.376 1.00102.89 H -ATOM 7256 HG2 PRO C 174 65.837 44.665 118.179 1.00101.40 H -ATOM 7257 HG3 PRO C 174 66.011 45.252 119.868 1.00101.40 H -ATOM 7258 HD2 PRO C 174 64.590 46.681 118.102 1.00 90.86 H -ATOM 7259 HD3 PRO C 174 65.732 47.522 119.190 1.00 90.86 H -ATOM 7260 N THR C 175 66.985 45.337 115.203 1.00 73.22 N -ATOM 7261 CA THR C 175 67.192 44.676 113.896 1.00 81.86 C -ATOM 7262 C THR C 175 68.106 45.437 112.928 1.00 77.88 C -ATOM 7263 O THR C 175 68.610 44.839 111.978 1.00 76.34 O -ATOM 7264 CB THR C 175 65.859 44.388 113.202 1.00 80.99 C -ATOM 7265 OG1 THR C 175 65.080 45.552 113.155 1.00 78.97 O -ATOM 7266 CG2 THR C 175 65.057 43.307 113.915 1.00 83.71 C -ATOM 7267 H THR C 175 66.051 45.646 115.428 1.00 87.86 H -ATOM 7268 HA THR C 175 67.678 43.715 114.065 1.00 98.23 H -ATOM 7269 HB THR C 175 66.051 44.052 112.184 1.00 97.19 H -ATOM 7270 HG1 THR C 175 64.817 45.721 114.062 1.00 94.77 H -ATOM 7271 HG21 THR C 175 64.111 43.157 113.403 1.00100.45 H -ATOM 7272 HG22 THR C 175 65.614 42.375 113.901 1.00100.45 H -ATOM 7273 HG23 THR C 175 64.868 43.588 114.947 1.00100.45 H -ATOM 7274 N LEU C 176 68.418 46.711 113.186 1.00 78.31 N -ATOM 7275 CA LEU C 176 69.512 47.436 112.528 1.00 68.11 C -ATOM 7276 C LEU C 176 70.906 46.798 112.764 1.00 70.67 C -ATOM 7277 O LEU C 176 71.851 47.119 112.044 1.00 65.00 O -ATOM 7278 CB LEU C 176 69.487 48.893 113.029 1.00 60.42 C -ATOM 7279 CG LEU C 176 68.527 49.870 112.315 1.00 59.33 C -ATOM 7280 CD1 LEU C 176 69.116 50.355 110.991 1.00 55.03 C -ATOM 7281 CD2 LEU C 176 67.136 49.311 112.017 1.00 67.38 C -ATOM 7282 H LEU C 176 67.937 47.174 113.942 1.00 93.97 H -ATOM 7283 HA LEU C 176 69.348 47.427 111.451 1.00 81.74 H -ATOM 7284 HB2 LEU C 176 69.255 48.893 114.093 1.00 72.50 H -ATOM 7285 HB3 LEU C 176 70.491 49.306 112.937 1.00 72.50 H -ATOM 7286 HG LEU C 176 68.410 50.745 112.953 1.00 71.20 H -ATOM 7287 HD11 LEU C 176 68.452 51.092 110.541 1.00 66.03 H -ATOM 7288 HD12 LEU C 176 70.082 50.824 111.170 1.00 66.03 H -ATOM 7289 HD13 LEU C 176 69.245 49.518 110.306 1.00 66.03 H -ATOM 7290 HD21 LEU C 176 66.517 50.097 111.585 1.00 80.86 H -ATOM 7291 HD22 LEU C 176 67.192 48.480 111.316 1.00 80.86 H -ATOM 7292 HD23 LEU C 176 66.664 48.981 112.942 1.00 80.86 H -ATOM 7293 N TYR C 177 71.056 45.895 113.741 1.00 78.76 N -ATOM 7294 CA TYR C 177 72.296 45.145 114.018 1.00 81.52 C -ATOM 7295 C TYR C 177 72.075 43.681 114.451 1.00 83.78 C -ATOM 7296 O TYR C 177 72.911 42.826 114.167 1.00 87.36 O -ATOM 7297 CB TYR C 177 73.111 45.878 115.100 1.00 81.92 C -ATOM 7298 CG TYR C 177 72.639 45.630 116.521 1.00 80.58 C -ATOM 7299 CD1 TYR C 177 71.588 46.384 117.063 1.00 84.62 C -ATOM 7300 CD2 TYR C 177 73.218 44.600 117.281 1.00 77.83 C -ATOM 7301 CE1 TYR C 177 71.095 46.093 118.347 1.00 92.11 C -ATOM 7302 CE2 TYR C 177 72.731 44.312 118.568 1.00 83.10 C -ATOM 7303 CZ TYR C 177 71.660 45.051 119.100 1.00 90.49 C -ATOM 7304 OH TYR C 177 71.198 44.760 120.342 1.00 93.64 O -ATOM 7305 H TYR C 177 70.261 45.726 114.339 1.00 94.51 H -ATOM 7306 HA TYR C 177 72.895 45.115 113.109 1.00 97.82 H -ATOM 7307 HB2 TYR C 177 74.147 45.548 115.023 1.00 98.30 H -ATOM 7308 HB3 TYR C 177 73.099 46.950 114.906 1.00 98.30 H -ATOM 7309 HD1 TYR C 177 71.135 47.173 116.482 1.00101.54 H -ATOM 7310 HD2 TYR C 177 74.028 44.016 116.872 1.00 93.40 H -ATOM 7311 HE1 TYR C 177 70.292 46.681 118.765 1.00110.53 H -ATOM 7312 HE2 TYR C 177 73.173 43.521 119.154 1.00 99.72 H -ATOM 7313 HH TYR C 177 70.245 44.835 120.423 1.00112.37 H -ATOM 7314 N GLY C 178 70.978 43.382 115.146 1.00 79.52 N -ATOM 7315 CA GLY C 178 70.756 42.126 115.855 1.00 92.72 C -ATOM 7316 C GLY C 178 69.379 42.081 116.522 1.00 95.55 C -ATOM 7317 O GLY C 178 68.374 42.392 115.889 1.00 92.03 O -ATOM 7318 H GLY C 178 70.334 44.132 115.352 1.00 95.42 H -ATOM 7319 HA2 GLY C 178 70.827 41.291 115.160 1.00111.26 H -ATOM 7320 HA3 GLY C 178 71.528 42.008 116.615 1.00111.26 H -ATOM 7321 N TYR C 179 69.313 41.678 117.794 1.00104.87 N -ATOM 7322 CA TYR C 179 68.056 41.474 118.535 1.00106.42 C -ATOM 7323 C TYR C 179 68.196 41.879 120.010 1.00103.67 C -ATOM 7324 O TYR C 179 69.279 41.753 120.587 1.00 98.65 O -ATOM 7325 CB TYR C 179 67.614 40.001 118.449 1.00115.76 C -ATOM 7326 CG TYR C 179 67.674 39.376 117.068 1.00119.55 C -ATOM 7327 CD1 TYR C 179 66.620 39.563 116.157 1.00124.46 C -ATOM 7328 CD2 TYR C 179 68.807 38.633 116.687 1.00121.12 C -ATOM 7329 CE1 TYR C 179 66.705 39.016 114.862 1.00127.83 C -ATOM 7330 CE2 TYR C 179 68.900 38.098 115.389 1.00127.96 C -ATOM 7331 CZ TYR C 179 67.850 38.293 114.471 1.00129.25 C -ATOM 7332 OH TYR C 179 67.939 37.787 113.214 1.00133.86 O -ATOM 7333 H TYR C 179 70.171 41.442 118.269 1.00125.84 H -ATOM 7334 HA TYR C 179 67.274 42.088 118.088 1.00127.70 H -ATOM 7335 HB2 TYR C 179 68.244 39.412 119.114 1.00138.91 H -ATOM 7336 HB3 TYR C 179 66.595 39.923 118.825 1.00138.91 H -ATOM 7337 HD1 TYR C 179 65.753 40.135 116.447 1.00149.35 H -ATOM 7338 HD2 TYR C 179 69.612 38.486 117.387 1.00145.34 H -ATOM 7339 HE1 TYR C 179 65.902 39.158 114.156 1.00153.39 H -ATOM 7340 HE2 TYR C 179 69.774 37.542 115.095 1.00153.56 H -ATOM 7341 HH TYR C 179 68.749 37.301 113.090 1.00160.63 H -ATOM 7342 N ALA C 180 67.093 42.318 120.626 1.00 99.19 N -ATOM 7343 CA ALA C 180 67.036 42.818 122.007 1.00 95.93 C -ATOM 7344 C ALA C 180 68.059 43.940 122.304 1.00 92.83 C -ATOM 7345 O ALA C 180 68.669 44.518 121.399 1.00 94.10 O -ATOM 7346 CB ALA C 180 67.131 41.615 122.963 1.00 95.71 C -ATOM 7347 H ALA C 180 66.234 42.335 120.097 1.00119.03 H -ATOM 7348 HA ALA C 180 66.053 43.262 122.156 1.00115.12 H -ATOM 7349 HB1 ALA C 180 66.911 41.927 123.983 1.00114.85 H -ATOM 7350 HB2 ALA C 180 66.404 40.857 122.675 1.00114.85 H -ATOM 7351 HB3 ALA C 180 68.129 41.181 122.932 1.00114.85 H -ATOM 7352 N VAL C 181 68.256 44.274 123.582 1.00 92.89 N -ATOM 7353 CA VAL C 181 69.435 45.034 124.035 1.00 95.75 C -ATOM 7354 C VAL C 181 70.607 44.056 124.174 1.00 96.65 C -ATOM 7355 O VAL C 181 70.726 43.351 125.175 1.00 98.88 O -ATOM 7356 CB VAL C 181 69.163 45.801 125.348 1.00 93.43 C -ATOM 7357 CG1 VAL C 181 70.395 46.583 125.819 1.00 95.22 C -ATOM 7358 CG2 VAL C 181 68.019 46.809 125.178 1.00 93.50 C -ATOM 7359 H VAL C 181 67.698 43.810 124.283 1.00111.46 H -ATOM 7360 HA VAL C 181 69.697 45.777 123.282 1.00114.90 H -ATOM 7361 HB VAL C 181 68.881 45.094 126.129 1.00112.11 H -ATOM 7362 HG11 VAL C 181 70.154 47.146 126.719 1.00114.26 H -ATOM 7363 HG12 VAL C 181 71.205 45.898 126.065 1.00114.26 H -ATOM 7364 HG13 VAL C 181 70.725 47.270 125.041 1.00114.26 H -ATOM 7365 HG21 VAL C 181 67.821 47.298 126.129 1.00112.21 H -ATOM 7366 HG22 VAL C 181 68.281 47.552 124.428 1.00112.21 H -ATOM 7367 HG23 VAL C 181 67.109 46.298 124.871 1.00112.21 H -ATOM 7368 N GLY C 182 71.473 43.999 123.162 1.00 99.40 N -ATOM 7369 CA GLY C 182 72.728 43.242 123.163 1.00102.86 C -ATOM 7370 C GLY C 182 73.802 43.914 124.022 1.00110.44 C -ATOM 7371 O GLY C 182 74.883 44.238 123.536 1.00114.99 O -ATOM 7372 H GLY C 182 71.277 44.548 122.338 1.00119.29 H -ATOM 7373 HA2 GLY C 182 72.552 42.239 123.549 1.00123.43 H -ATOM 7374 HA3 GLY C 182 73.096 43.157 122.141 1.00123.43 H -ATOM 7375 N ASP C 183 73.482 44.157 125.293 1.00111.68 N -ATOM 7376 CA ASP C 183 74.147 45.110 126.192 1.00112.54 C -ATOM 7377 C ASP C 183 74.020 46.580 125.723 1.00110.12 C -ATOM 7378 O ASP C 183 73.636 46.837 124.580 1.00106.79 O -ATOM 7379 CB ASP C 183 75.599 44.697 126.479 1.00119.99 C -ATOM 7380 CG ASP C 183 75.774 43.195 126.719 1.00119.84 C -ATOM 7381 OD1 ASP C 183 75.059 42.623 127.574 1.00120.08 O -ATOM 7382 OD2 ASP C 183 76.667 42.600 126.074 1.00124.08 O -ATOM 7383 H ASP C 183 72.585 43.805 125.591 1.00134.01 H -ATOM 7384 HA ASP C 183 73.615 45.036 127.139 1.00135.04 H -ATOM 7385 HB2 ASP C 183 76.225 45.013 125.646 1.00143.98 H -ATOM 7386 HB3 ASP C 183 75.958 45.224 127.361 1.00143.98 H -ATOM 7387 N PRO C 184 74.322 47.581 126.575 1.00112.37 N -ATOM 7388 CA PRO C 184 74.104 48.995 126.255 1.00114.01 C -ATOM 7389 C PRO C 184 74.849 49.551 125.032 1.00109.67 C -ATOM 7390 O PRO C 184 74.559 50.668 124.616 1.00105.33 O -ATOM 7391 CB PRO C 184 74.471 49.766 127.525 1.00117.07 C -ATOM 7392 CG PRO C 184 74.131 48.767 128.622 1.00116.84 C -ATOM 7393 CD PRO C 184 74.581 47.450 128.001 1.00113.58 C -ATOM 7394 HA PRO C 184 73.037 49.126 126.077 1.00136.81 H -ATOM 7395 HB2 PRO C 184 75.539 49.982 127.543 1.00140.49 H -ATOM 7396 HB3 PRO C 184 73.890 50.683 127.621 1.00140.49 H -ATOM 7397 HG2 PRO C 184 74.663 48.981 129.549 1.00140.21 H -ATOM 7398 HG3 PRO C 184 73.055 48.750 128.786 1.00140.21 H -ATOM 7399 HD2 PRO C 184 75.650 47.320 128.166 1.00136.30 H -ATOM 7400 HD3 PRO C 184 74.027 46.629 128.455 1.00136.30 H -ATOM 7401 N ARG C 185 75.752 48.790 124.398 1.00112.36 N -ATOM 7402 CA ARG C 185 76.495 49.210 123.194 1.00111.60 C -ATOM 7403 C ARG C 185 75.601 49.761 122.076 1.00106.34 C -ATOM 7404 O ARG C 185 75.976 50.729 121.420 1.00103.49 O -ATOM 7405 CB ARG C 185 77.380 48.049 122.697 1.00115.22 C -ATOM 7406 CG ARG C 185 76.601 46.904 122.023 1.00116.17 C -ATOM 7407 CD ARG C 185 77.463 45.660 121.798 1.00122.35 C -ATOM 7408 NE ARG C 185 77.654 44.899 123.048 1.00127.95 N -ATOM 7409 CZ ARG C 185 78.768 44.728 123.739 1.00137.56 C -ATOM 7410 NH1 ARG C 185 78.792 43.970 124.793 1.00138.02 N -ATOM 7411 NH2 ARG C 185 79.886 45.302 123.410 1.00131.28 N -ATOM 7412 H ARG C 185 75.930 47.872 124.776 1.00134.84 H -ATOM 7413 HA ARG C 185 77.160 50.025 123.480 1.00133.92 H -ATOM 7414 HB2 ARG C 185 78.099 48.441 121.980 1.00138.27 H -ATOM 7415 HB3 ARG C 185 77.942 47.657 123.544 1.00138.27 H -ATOM 7416 HG2 ARG C 185 75.736 46.631 122.627 1.00139.41 H -ATOM 7417 HG3 ARG C 185 76.247 47.245 121.051 1.00139.41 H -ATOM 7418 HD2 ARG C 185 76.944 45.017 121.088 1.00146.82 H -ATOM 7419 HD3 ARG C 185 78.412 45.947 121.347 1.00146.82 H -ATOM 7420 HE ARG C 185 76.832 44.434 123.403 1.00153.54 H -ATOM 7421 HH11 ARG C 185 77.966 43.476 125.099 1.00165.62 H -ATOM 7422 HH12 ARG C 185 79.655 43.845 125.299 1.00165.62 H -ATOM 7423 HH21 ARG C 185 79.917 45.888 122.590 1.00157.54 H -ATOM 7424 HH22 ARG C 185 80.718 45.144 123.957 1.00157.54 H -ATOM 7425 N TRP C 186 74.406 49.193 121.878 1.00104.74 N -ATOM 7426 CA TRP C 186 73.457 49.696 120.884 1.00 98.01 C -ATOM 7427 C TRP C 186 72.804 51.006 121.334 1.00 95.17 C -ATOM 7428 O TRP C 186 72.832 51.973 120.577 1.00 96.60 O -ATOM 7429 CB TRP C 186 72.419 48.633 120.520 1.00 90.73 C -ATOM 7430 CG TRP C 186 71.465 49.084 119.458 1.00 83.21 C -ATOM 7431 CD1 TRP C 186 71.816 49.414 118.195 1.00 80.09 C -ATOM 7432 CD2 TRP C 186 70.020 49.303 119.536 1.00 83.96 C -ATOM 7433 NE1 TRP C 186 70.697 49.810 117.487 1.00 82.42 N -ATOM 7434 CE2 TRP C 186 69.560 49.749 118.261 1.00 83.34 C -ATOM 7435 CE3 TRP C 186 69.048 49.165 120.550 1.00 87.91 C -ATOM 7436 CZ2 TRP C 186 68.214 50.039 118.006 1.00 75.15 C -ATOM 7437 CZ3 TRP C 186 67.691 49.448 120.302 1.00 84.00 C -ATOM 7438 CH2 TRP C 186 67.274 49.887 119.035 1.00 75.70 C -ATOM 7439 H TRP C 186 74.154 48.397 122.445 1.00125.69 H -ATOM 7440 HA TRP C 186 74.007 49.919 119.970 1.00117.62 H -ATOM 7441 HB2 TRP C 186 72.936 47.743 120.163 1.00108.87 H -ATOM 7442 HB3 TRP C 186 71.851 48.360 121.409 1.00108.87 H -ATOM 7443 HD1 TRP C 186 72.820 49.376 117.801 1.00 96.11 H -ATOM 7444 HE1 TRP C 186 70.738 50.145 116.536 1.00 98.90 H -ATOM 7445 HE3 TRP C 186 69.351 48.834 121.531 1.00105.49 H -ATOM 7446 HZ2 TRP C 186 67.910 50.382 117.029 1.00 90.18 H -ATOM 7447 HZ3 TRP C 186 66.966 49.337 121.094 1.00100.79 H -ATOM 7448 HH2 TRP C 186 66.233 50.113 118.861 1.00 90.84 H -ATOM 7449 N LYS C 187 72.327 51.103 122.583 1.00 97.12 N -ATOM 7450 CA LYS C 187 71.821 52.363 123.161 1.00 94.67 C -ATOM 7451 C LYS C 187 72.864 53.487 123.124 1.00 96.21 C -ATOM 7452 O LYS C 187 72.533 54.649 122.921 1.00 96.57 O -ATOM 7453 CB LYS C 187 71.382 52.154 124.617 1.00 91.72 C -ATOM 7454 CG LYS C 187 70.225 51.161 124.769 1.00100.97 C -ATOM 7455 CD LYS C 187 69.699 51.197 126.209 1.00119.11 C -ATOM 7456 CE LYS C 187 68.456 50.316 126.359 1.00121.34 C -ATOM 7457 NZ LYS C 187 67.880 50.421 127.720 1.00123.53 N -ATOM 7458 H LYS C 187 72.367 50.285 123.173 1.00116.54 H -ATOM 7459 HA LYS C 187 70.962 52.702 122.583 1.00113.61 H -ATOM 7460 HB2 LYS C 187 72.227 51.819 125.217 1.00110.07 H -ATOM 7461 HB3 LYS C 187 71.059 53.118 125.006 1.00110.07 H -ATOM 7462 HG2 LYS C 187 69.425 51.444 124.088 1.00121.17 H -ATOM 7463 HG3 LYS C 187 70.561 50.155 124.526 1.00121.17 H -ATOM 7464 HD2 LYS C 187 70.479 50.855 126.888 1.00142.93 H -ATOM 7465 HD3 LYS C 187 69.435 52.222 126.466 1.00142.93 H -ATOM 7466 HE2 LYS C 187 67.717 50.625 125.624 1.00145.61 H -ATOM 7467 HE3 LYS C 187 68.733 49.287 126.141 1.00145.61 H -ATOM 7468 HZ1 LYS C 187 67.065 49.838 127.822 1.00148.24 H -ATOM 7469 HZ2 LYS C 187 68.543 50.147 128.424 1.00148.24 H -ATOM 7470 HZ3 LYS C 187 67.599 51.364 127.925 1.00148.24 H -ATOM 7471 N ASP C 188 74.133 53.140 123.299 1.00 98.89 N -ATOM 7472 CA ASP C 188 75.278 54.051 123.248 1.00 96.10 C -ATOM 7473 C ASP C 188 75.714 54.425 121.820 1.00 95.23 C -ATOM 7474 O ASP C 188 76.518 55.341 121.644 1.00 95.18 O -ATOM 7475 CB ASP C 188 76.453 53.402 123.996 1.00 99.09 C -ATOM 7476 CG ASP C 188 76.215 53.192 125.496 1.00111.32 C -ATOM 7477 OD1 ASP C 188 75.314 53.840 126.075 1.00108.69 O -ATOM 7478 OD2 ASP C 188 77.001 52.447 126.120 1.00111.81 O -ATOM 7479 H ASP C 188 74.311 52.185 123.568 1.00118.67 H -ATOM 7480 HA ASP C 188 75.017 54.980 123.756 1.00115.32 H -ATOM 7481 HB2 ASP C 188 76.680 52.445 123.526 1.00118.91 H -ATOM 7482 HB3 ASP C 188 77.330 54.040 123.888 1.00118.91 H -ATOM 7483 N SER C 189 75.236 53.721 120.792 1.00101.67 N -ATOM 7484 CA SER C 189 75.737 53.881 119.424 1.00 95.01 C -ATOM 7485 C SER C 189 75.414 55.264 118.841 1.00 86.30 C -ATOM 7486 O SER C 189 74.344 55.812 119.120 1.00 83.89 O -ATOM 7487 CB SER C 189 75.176 52.791 118.505 1.00 99.91 C -ATOM 7488 OG SER C 189 73.790 52.969 118.312 1.00 88.09 O -ATOM 7489 H SER C 189 74.546 53.007 120.973 1.00122.00 H -ATOM 7490 HA SER C 189 76.818 53.745 119.462 1.00114.02 H -ATOM 7491 HB2 SER C 189 75.678 52.844 117.540 1.00119.89 H -ATOM 7492 HB3 SER C 189 75.362 51.810 118.939 1.00119.89 H -ATOM 7493 HG SER C 189 73.348 52.697 119.119 1.00105.71 H -ATOM 7494 N PRO C 190 76.265 55.810 117.953 1.00 81.01 N -ATOM 7495 CA PRO C 190 75.938 57.024 117.213 1.00 78.10 C -ATOM 7496 C PRO C 190 74.633 56.879 116.425 1.00 79.49 C -ATOM 7497 O PRO C 190 73.865 57.827 116.328 1.00 78.90 O -ATOM 7498 CB PRO C 190 77.131 57.277 116.289 1.00 81.76 C -ATOM 7499 CG PRO C 190 78.291 56.595 117.007 1.00 81.94 C -ATOM 7500 CD PRO C 190 77.623 55.384 117.653 1.00 89.11 C -ATOM 7501 HA PRO C 190 75.846 57.852 117.915 1.00 93.72 H -ATOM 7502 HB2 PRO C 190 76.977 56.790 115.328 1.00 98.12 H -ATOM 7503 HB3 PRO C 190 77.315 58.341 116.149 1.00 98.12 H -ATOM 7504 HG2 PRO C 190 79.081 56.302 116.317 1.00 98.33 H -ATOM 7505 HG3 PRO C 190 78.681 57.254 117.781 1.00 98.33 H -ATOM 7506 HD2 PRO C 190 77.602 54.552 116.951 1.00106.94 H -ATOM 7507 HD3 PRO C 190 78.170 55.108 118.553 1.00106.94 H -ATOM 7508 N GLU C 191 74.341 55.672 115.933 1.00 72.31 N -ATOM 7509 CA GLU C 191 73.072 55.313 115.290 1.00 82.79 C -ATOM 7510 C GLU C 191 71.866 55.589 116.209 1.00 78.40 C -ATOM 7511 O GLU C 191 71.003 56.406 115.884 1.00 78.24 O -ATOM 7512 CB GLU C 191 73.181 53.833 114.867 1.00 76.82 C -ATOM 7513 CG GLU C 191 71.895 53.169 114.350 1.00 80.43 C -ATOM 7514 CD GLU C 191 72.005 51.632 114.394 1.00 75.60 C -ATOM 7515 OE1 GLU C 191 73.023 51.082 113.913 1.00 73.32 O -ATOM 7516 OE2 GLU C 191 71.091 50.982 114.943 1.00 70.47 O -ATOM 7517 H GLU C 191 75.027 54.942 116.053 1.00 86.77 H -ATOM 7518 HA GLU C 191 72.933 55.919 114.395 1.00 99.35 H -ATOM 7519 HB2 GLU C 191 73.951 53.744 114.103 1.00 92.19 H -ATOM 7520 HB3 GLU C 191 73.512 53.265 115.734 1.00 92.19 H -ATOM 7521 HG2 GLU C 191 71.054 53.479 114.967 1.00 96.52 H -ATOM 7522 HG3 GLU C 191 71.704 53.505 113.334 1.00 96.52 H -ATOM 7523 N TYR C 192 71.819 54.942 117.374 1.00 82.22 N -ATOM 7524 CA TYR C 192 70.720 55.088 118.324 1.00 88.27 C -ATOM 7525 C TYR C 192 70.639 56.516 118.860 1.00 82.66 C -ATOM 7526 O TYR C 192 69.552 57.083 118.971 1.00 77.89 O -ATOM 7527 CB TYR C 192 70.936 54.096 119.468 1.00 92.83 C -ATOM 7528 CG TYR C 192 69.840 54.062 120.518 1.00 91.70 C -ATOM 7529 CD1 TYR C 192 69.813 55.018 121.554 1.00 93.26 C -ATOM 7530 CD2 TYR C 192 68.873 53.039 120.491 1.00 96.88 C -ATOM 7531 CE1 TYR C 192 68.839 54.938 122.568 1.00 85.63 C -ATOM 7532 CE2 TYR C 192 67.892 52.963 121.499 1.00 90.58 C -ATOM 7533 CZ TYR C 192 67.874 53.910 122.541 1.00 85.16 C -ATOM 7534 OH TYR C 192 66.934 53.829 123.519 1.00 89.21 O -ATOM 7535 H TYR C 192 72.573 54.316 117.616 1.00 98.67 H -ATOM 7536 HA TYR C 192 69.781 54.851 117.825 1.00105.92 H -ATOM 7537 HB2 TYR C 192 71.034 53.100 119.037 1.00111.39 H -ATOM 7538 HB3 TYR C 192 71.877 54.334 119.962 1.00111.39 H -ATOM 7539 HD1 TYR C 192 70.559 55.797 121.594 1.00111.92 H -ATOM 7540 HD2 TYR C 192 68.890 52.297 119.707 1.00116.25 H -ATOM 7541 HE1 TYR C 192 68.835 55.661 123.369 1.00102.75 H -ATOM 7542 HE2 TYR C 192 67.155 52.175 121.484 1.00108.70 H -ATOM 7543 HH TYR C 192 67.027 54.539 124.154 1.00107.05 H -ATOM 7544 N ALA C 193 71.791 57.116 119.163 1.00 77.01 N -ATOM 7545 CA ALA C 193 71.873 58.493 119.604 1.00 77.31 C -ATOM 7546 C ALA C 193 71.246 59.420 118.563 1.00 76.12 C -ATOM 7547 O ALA C 193 70.321 60.155 118.881 1.00 75.48 O -ATOM 7548 CB ALA C 193 73.341 58.842 119.868 1.00 79.79 C -ATOM 7549 H ALA C 193 72.651 56.597 119.058 1.00 92.41 H -ATOM 7550 HA ALA C 193 71.313 58.597 120.533 1.00 92.77 H -ATOM 7551 HB1 ALA C 193 73.410 59.864 120.236 1.00 95.74 H -ATOM 7552 HB2 ALA C 193 73.753 58.169 120.619 1.00 95.74 H -ATOM 7553 HB3 ALA C 193 73.924 58.753 118.953 1.00 95.74 H -ATOM 7554 N LEU C 194 71.673 59.335 117.304 1.00 79.58 N -ATOM 7555 CA LEU C 194 71.161 60.190 116.240 1.00 80.42 C -ATOM 7556 C LEU C 194 69.652 60.026 116.050 1.00 78.98 C -ATOM 7557 O LEU C 194 68.922 61.014 116.071 1.00 75.62 O -ATOM 7558 CB LEU C 194 71.930 59.883 114.949 1.00 80.08 C -ATOM 7559 CG LEU C 194 71.453 60.709 113.748 1.00 75.70 C -ATOM 7560 CD1 LEU C 194 71.678 62.207 113.963 1.00 75.62 C -ATOM 7561 CD2 LEU C 194 72.223 60.265 112.512 1.00 70.60 C -ATOM 7562 H LEU C 194 72.405 58.679 117.074 1.00 95.50 H -ATOM 7563 HA LEU C 194 71.349 61.225 116.522 1.00 96.50 H -ATOM 7564 HB2 LEU C 194 72.989 60.080 115.113 1.00 96.09 H -ATOM 7565 HB3 LEU C 194 71.814 58.826 114.712 1.00 96.09 H -ATOM 7566 HG LEU C 194 70.394 60.529 113.567 1.00 90.84 H -ATOM 7567 HD11 LEU C 194 71.417 62.749 113.056 1.00 90.74 H -ATOM 7568 HD12 LEU C 194 71.034 62.573 114.761 1.00 90.74 H -ATOM 7569 HD13 LEU C 194 72.720 62.403 114.210 1.00 90.74 H -ATOM 7570 HD21 LEU C 194 71.885 60.839 111.652 1.00 84.72 H -ATOM 7571 HD22 LEU C 194 73.290 60.425 112.657 1.00 84.72 H -ATOM 7572 HD23 LEU C 194 72.038 59.209 112.323 1.00 84.72 H -ATOM 7573 N LEU C 195 69.179 58.785 115.922 1.00 77.63 N -ATOM 7574 CA LEU C 195 67.753 58.494 115.785 1.00 81.62 C -ATOM 7575 C LEU C 195 66.956 59.092 116.949 1.00 77.49 C -ATOM 7576 O LEU C 195 66.015 59.849 116.728 1.00 77.46 O -ATOM 7577 CB LEU C 195 67.553 56.970 115.711 1.00 76.54 C -ATOM 7578 CG LEU C 195 67.920 56.356 114.349 1.00 75.68 C -ATOM 7579 CD1 LEU C 195 68.131 54.850 114.480 1.00 73.67 C -ATOM 7580 CD2 LEU C 195 66.808 56.583 113.323 1.00 76.69 C -ATOM 7581 H LEU C 195 69.833 58.016 115.940 1.00 93.16 H -ATOM 7582 HA LEU C 195 67.381 58.954 114.870 1.00 97.94 H -ATOM 7583 HB2 LEU C 195 68.156 56.508 116.492 1.00 91.85 H -ATOM 7584 HB3 LEU C 195 66.511 56.743 115.931 1.00 91.85 H -ATOM 7585 HG LEU C 195 68.843 56.803 113.982 1.00 90.82 H -ATOM 7586 HD11 LEU C 195 68.396 54.428 113.514 1.00 88.40 H -ATOM 7587 HD12 LEU C 195 68.941 54.654 115.180 1.00 88.40 H -ATOM 7588 HD13 LEU C 195 67.223 54.374 114.839 1.00 88.40 H -ATOM 7589 HD21 LEU C 195 67.105 56.164 112.363 1.00 92.03 H -ATOM 7590 HD22 LEU C 195 65.886 56.102 113.650 1.00 92.03 H -ATOM 7591 HD23 LEU C 195 66.634 57.651 113.194 1.00 92.03 H -ATOM 7592 N SER C 196 67.363 58.813 118.188 1.00 85.46 N -ATOM 7593 CA SER C 196 66.681 59.334 119.372 1.00 78.52 C -ATOM 7594 C SER C 196 66.843 60.850 119.541 1.00 73.51 C -ATOM 7595 O SER C 196 66.033 61.473 120.223 1.00 74.39 O -ATOM 7596 CB SER C 196 67.139 58.574 120.618 1.00 76.10 C -ATOM 7597 OG SER C 196 68.524 58.718 120.819 1.00 77.78 O -ATOM 7598 H SER C 196 68.193 58.252 118.315 1.00102.55 H -ATOM 7599 HA SER C 196 65.615 59.140 119.255 1.00 94.22 H -ATOM 7600 HB2 SER C 196 66.602 58.953 121.487 1.00 91.32 H -ATOM 7601 HB3 SER C 196 66.911 57.516 120.498 1.00 91.32 H -ATOM 7602 HG SER C 196 68.957 58.236 120.113 1.00 93.34 H -ATOM 7603 N ASN C 197 67.829 61.481 118.900 1.00 72.30 N -ATOM 7604 CA ASN C 197 67.977 62.935 118.886 1.00 78.97 C -ATOM 7605 C ASN C 197 67.019 63.647 117.919 1.00 77.38 C -ATOM 7606 O ASN C 197 66.826 64.854 118.076 1.00 77.52 O -ATOM 7607 CB ASN C 197 69.430 63.318 118.545 1.00 81.18 C -ATOM 7608 CG ASN C 197 70.421 63.053 119.659 1.00 91.47 C -ATOM 7609 OD1 ASN C 197 70.090 62.986 120.831 1.00 94.85 O -ATOM 7610 ND2 ASN C 197 71.687 62.950 119.335 1.00 95.16 N -ATOM 7611 H ASN C 197 68.513 60.927 118.406 1.00 86.76 H -ATOM 7612 HA ASN C 197 67.748 63.322 119.878 1.00 94.76 H -ATOM 7613 HB2 ASN C 197 69.748 62.795 117.644 1.00 97.41 H -ATOM 7614 HB3 ASN C 197 69.479 64.386 118.334 1.00 97.41 H -ATOM 7615 HD21 ASN C 197 72.361 62.816 120.075 1.00114.19 H -ATOM 7616 HD22 ASN C 197 71.978 63.064 118.378 1.00114.19 H -ATOM 7617 N LEU C 198 66.457 62.974 116.908 1.00 72.97 N -ATOM 7618 CA LEU C 198 65.804 63.695 115.813 1.00 70.59 C -ATOM 7619 C LEU C 198 64.600 64.533 116.249 1.00 70.71 C -ATOM 7620 O LEU C 198 63.785 64.135 117.073 1.00 71.60 O -ATOM 7621 CB LEU C 198 65.382 62.766 114.668 1.00 70.75 C -ATOM 7622 CG LEU C 198 66.512 62.000 113.976 1.00 75.99 C -ATOM 7623 CD1 LEU C 198 65.943 61.324 112.732 1.00 72.24 C -ATOM 7624 CD2 LEU C 198 67.667 62.887 113.520 1.00 72.72 C -ATOM 7625 H LEU C 198 66.627 61.984 116.816 1.00 87.56 H -ATOM 7626 HA LEU C 198 66.535 64.400 115.418 1.00 84.71 H -ATOM 7627 HB2 LEU C 198 64.659 62.044 115.046 1.00 84.90 H -ATOM 7628 HB3 LEU C 198 64.881 63.373 113.915 1.00 84.90 H -ATOM 7629 HG LEU C 198 66.891 61.231 114.647 1.00 91.19 H -ATOM 7630 HD11 LEU C 198 66.719 60.727 112.259 1.00 86.69 H -ATOM 7631 HD12 LEU C 198 65.121 60.676 113.027 1.00 86.69 H -ATOM 7632 HD13 LEU C 198 65.578 62.068 112.026 1.00 86.69 H -ATOM 7633 HD21 LEU C 198 68.412 62.280 113.007 1.00 87.27 H -ATOM 7634 HD22 LEU C 198 67.309 63.658 112.839 1.00 87.27 H -ATOM 7635 HD23 LEU C 198 68.153 63.346 114.380 1.00 87.27 H -ATOM 7636 N ASP C 199 64.437 65.671 115.590 1.00 66.40 N -ATOM 7637 CA ASP C 199 63.277 66.556 115.660 1.00 76.07 C -ATOM 7638 C ASP C 199 61.970 65.837 115.280 1.00 73.03 C -ATOM 7639 O ASP C 199 60.907 66.129 115.822 1.00 77.87 O -ATOM 7640 CB ASP C 199 63.515 67.725 114.690 1.00 76.42 C -ATOM 7641 CG ASP C 199 64.808 68.506 114.961 1.00 83.27 C -ATOM 7642 OD1 ASP C 199 65.187 68.673 116.141 1.00 80.64 O -ATOM 7643 OD2 ASP C 199 65.411 68.998 113.982 1.00 72.60 O -ATOM 7644 H ASP C 199 65.160 65.913 114.929 1.00 79.68 H -ATOM 7645 HA ASP C 199 63.178 66.944 116.673 1.00 91.28 H -ATOM 7646 HB2 ASP C 199 63.543 67.334 113.674 1.00 91.70 H -ATOM 7647 HB3 ASP C 199 62.672 68.411 114.758 1.00 91.70 H -ATOM 7648 N THR C 200 62.047 64.871 114.366 1.00 73.42 N -ATOM 7649 CA THR C 200 60.928 64.015 113.960 1.00 73.74 C -ATOM 7650 C THR C 200 60.771 62.764 114.827 1.00 79.38 C -ATOM 7651 O THR C 200 59.757 62.080 114.699 1.00 84.29 O -ATOM 7652 CB THR C 200 61.075 63.610 112.489 1.00 73.59 C -ATOM 7653 OG1 THR C 200 62.372 63.142 112.209 1.00 72.77 O -ATOM 7654 CG2 THR C 200 60.803 64.782 111.554 1.00 70.79 C -ATOM 7655 H THR C 200 62.941 64.690 113.933 1.00 88.10 H -ATOM 7656 HA THR C 200 59.997 64.574 114.053 1.00 88.48 H -ATOM 7657 HB THR C 200 60.358 62.824 112.258 1.00 88.30 H -ATOM 7658 HG1 THR C 200 62.310 62.724 111.348 1.00 87.32 H -ATOM 7659 HG21 THR C 200 60.899 64.456 110.520 1.00 84.95 H -ATOM 7660 HG22 THR C 200 59.789 65.142 111.711 1.00 84.95 H -ATOM 7661 HG23 THR C 200 61.501 65.593 111.747 1.00 84.95 H -ATOM 7662 N PHE C 201 61.718 62.439 115.713 1.00 76.29 N -ATOM 7663 CA PHE C 201 61.590 61.291 116.616 1.00 77.01 C -ATOM 7664 C PHE C 201 60.577 61.554 117.740 1.00 79.31 C -ATOM 7665 O PHE C 201 60.440 62.671 118.237 1.00 78.97 O -ATOM 7666 CB PHE C 201 62.965 60.866 117.148 1.00 71.76 C -ATOM 7667 CG PHE C 201 62.933 59.840 118.260 1.00 79.36 C -ATOM 7668 CD1 PHE C 201 62.761 58.477 117.964 1.00 84.92 C -ATOM 7669 CD2 PHE C 201 63.078 60.251 119.596 1.00 82.56 C -ATOM 7670 CE1 PHE C 201 62.769 57.526 119.000 1.00 83.19 C -ATOM 7671 CE2 PHE C 201 63.098 59.299 120.629 1.00 78.25 C -ATOM 7672 CZ PHE C 201 62.962 57.935 120.328 1.00 82.02 C -ATOM 7673 H PHE C 201 62.484 63.078 115.870 1.00 91.55 H -ATOM 7674 HA PHE C 201 61.207 60.450 116.038 1.00 92.42 H -ATOM 7675 HB2 PHE C 201 63.537 60.456 116.317 1.00 86.11 H -ATOM 7676 HB3 PHE C 201 63.502 61.738 117.520 1.00 86.11 H -ATOM 7677 HD1 PHE C 201 62.645 58.156 116.940 1.00101.90 H -ATOM 7678 HD2 PHE C 201 63.202 61.297 119.831 1.00 99.07 H -ATOM 7679 HE1 PHE C 201 62.638 56.477 118.780 1.00 99.83 H -ATOM 7680 HE2 PHE C 201 63.232 59.616 121.652 1.00 93.90 H -ATOM 7681 HZ PHE C 201 62.990 57.203 121.120 1.00 98.42 H -ATOM 7682 N SER C 202 59.856 60.504 118.136 1.00 79.86 N -ATOM 7683 CA SER C 202 58.690 60.588 119.031 1.00 88.51 C -ATOM 7684 C SER C 202 58.633 59.469 120.088 1.00 97.02 C -ATOM 7685 O SER C 202 57.570 59.171 120.633 1.00 94.81 O -ATOM 7686 CB SER C 202 57.429 60.577 118.158 1.00 89.02 C -ATOM 7687 OG SER C 202 57.299 59.335 117.485 1.00 85.43 O -ATOM 7688 H SER C 202 60.015 59.634 117.650 1.00 95.83 H -ATOM 7689 HA SER C 202 58.716 61.531 119.576 1.00106.21 H -ATOM 7690 HB2 SER C 202 56.553 60.742 118.784 1.00106.82 H -ATOM 7691 HB3 SER C 202 57.486 61.383 117.427 1.00106.82 H -ATOM 7692 HG SER C 202 57.984 59.259 116.817 1.00102.52 H -ATOM 7693 N GLY C 203 59.746 58.759 120.308 1.00 91.60 N -ATOM 7694 CA GLY C 203 59.744 57.362 120.779 1.00 91.75 C -ATOM 7695 C GLY C 203 59.672 56.356 119.618 1.00 79.17 C -ATOM 7696 O GLY C 203 60.131 55.222 119.749 1.00 79.96 O -ATOM 7697 H GLY C 203 60.619 59.115 119.946 1.00109.92 H -ATOM 7698 HA2 GLY C 203 60.642 57.166 121.364 1.00110.10 H -ATOM 7699 HA3 GLY C 203 58.885 57.188 121.426 1.00110.10 H -ATOM 7700 N LYS C 204 59.160 56.805 118.463 1.00 83.64 N -ATOM 7701 CA LYS C 204 59.062 56.093 117.179 1.00 81.51 C -ATOM 7702 C LYS C 204 59.385 57.022 115.996 1.00 85.86 C -ATOM 7703 O LYS C 204 59.395 58.250 116.150 1.00 81.16 O -ATOM 7704 CB LYS C 204 57.656 55.468 117.059 1.00 79.79 C -ATOM 7705 CG LYS C 204 57.369 54.349 118.078 1.00 76.85 C -ATOM 7706 CD LYS C 204 58.250 53.100 117.913 1.00 73.39 C -ATOM 7707 CE LYS C 204 57.984 52.133 119.067 1.00 84.40 C -ATOM 7708 NZ LYS C 204 58.788 50.893 118.944 1.00 82.20 N -ATOM 7709 H LYS C 204 58.748 57.726 118.485 1.00100.36 H -ATOM 7710 HA LYS C 204 59.810 55.301 117.142 1.00 97.81 H -ATOM 7711 HB2 LYS C 204 56.914 56.255 117.194 1.00 95.75 H -ATOM 7712 HB3 LYS C 204 57.511 55.066 116.057 1.00 95.75 H -ATOM 7713 HG2 LYS C 204 57.483 54.743 119.087 1.00 92.22 H -ATOM 7714 HG3 LYS C 204 56.328 54.049 117.963 1.00 92.22 H -ATOM 7715 HD2 LYS C 204 58.008 52.615 116.968 1.00 88.07 H -ATOM 7716 HD3 LYS C 204 59.304 53.375 117.918 1.00 88.07 H -ATOM 7717 HE2 LYS C 204 58.219 52.639 120.002 1.00101.28 H -ATOM 7718 HE3 LYS C 204 56.924 51.889 119.082 1.00101.28 H -ATOM 7719 HZ1 LYS C 204 58.614 50.277 119.722 1.00 98.64 H -ATOM 7720 HZ2 LYS C 204 58.556 50.388 118.104 1.00 98.64 H -ATOM 7721 HZ3 LYS C 204 59.774 51.096 118.930 1.00 98.64 H -ATOM 7722 N LEU C 205 59.706 56.440 114.840 1.00 86.63 N -ATOM 7723 CA LEU C 205 60.181 57.109 113.626 1.00 71.31 C -ATOM 7724 C LEU C 205 60.129 56.167 112.401 1.00 68.91 C -ATOM 7725 O LEU C 205 60.886 55.198 112.305 1.00 67.12 O -ATOM 7726 CB LEU C 205 61.631 57.544 113.888 1.00 73.79 C -ATOM 7727 CG LEU C 205 62.229 58.395 112.764 1.00 73.93 C -ATOM 7728 CD1 LEU C 205 61.965 59.875 113.014 1.00 77.16 C -ATOM 7729 CD2 LEU C 205 63.735 58.185 112.724 1.00 70.51 C -ATOM 7730 H LEU C 205 59.663 55.431 114.820 1.00103.96 H -ATOM 7731 HA LEU C 205 59.567 57.988 113.433 1.00 85.57 H -ATOM 7732 HB2 LEU C 205 61.692 58.103 114.820 1.00 88.55 H -ATOM 7733 HB3 LEU C 205 62.233 56.645 114.012 1.00 88.55 H -ATOM 7734 HG LEU C 205 61.812 58.111 111.798 1.00 88.72 H -ATOM 7735 HD11 LEU C 205 62.273 60.451 112.143 1.00 92.60 H -ATOM 7736 HD12 LEU C 205 60.903 60.037 113.199 1.00 92.60 H -ATOM 7737 HD13 LEU C 205 62.529 60.221 113.879 1.00 92.60 H -ATOM 7738 HD21 LEU C 205 64.169 58.865 111.993 1.00 84.62 H -ATOM 7739 HD22 LEU C 205 64.170 58.376 113.705 1.00 84.62 H -ATOM 7740 HD23 LEU C 205 63.949 57.159 112.427 1.00 84.62 H -ATOM 7741 N SER C 206 59.272 56.479 111.427 1.00 67.45 N -ATOM 7742 CA SER C 206 59.261 55.791 110.127 1.00 73.85 C -ATOM 7743 C SER C 206 60.390 56.284 109.207 1.00 67.41 C -ATOM 7744 O SER C 206 61.008 57.320 109.456 1.00 59.77 O -ATOM 7745 CB SER C 206 57.902 55.975 109.445 1.00 74.31 C -ATOM 7746 OG SER C 206 57.756 57.303 108.989 1.00 73.05 O -ATOM 7747 H SER C 206 58.695 57.302 111.521 1.00 80.94 H -ATOM 7748 HA SER C 206 59.403 54.723 110.289 1.00 88.62 H -ATOM 7749 HB2 SER C 206 57.829 55.292 108.600 1.00 89.17 H -ATOM 7750 HB3 SER C 206 57.103 55.742 110.147 1.00 89.17 H -ATOM 7751 HG SER C 206 57.598 57.846 109.764 1.00 87.66 H -ATOM 7752 N ILE C 207 60.624 55.599 108.084 1.00 66.86 N -ATOM 7753 CA ILE C 207 61.550 56.077 107.044 1.00 59.97 C -ATOM 7754 C ILE C 207 61.153 57.474 106.574 1.00 58.69 C -ATOM 7755 O ILE C 207 62.011 58.336 106.418 1.00 54.57 O -ATOM 7756 CB ILE C 207 61.602 55.093 105.859 1.00 54.47 C -ATOM 7757 CG1 ILE C 207 62.235 53.758 106.287 1.00 58.87 C -ATOM 7758 CG2 ILE C 207 62.371 55.679 104.664 1.00 54.32 C -ATOM 7759 CD1 ILE C 207 61.939 52.608 105.320 1.00 61.46 C -ATOM 7760 H ILE C 207 60.066 54.781 107.890 1.00 80.23 H -ATOM 7761 HA ILE C 207 62.551 56.157 107.468 1.00 71.96 H -ATOM 7762 HB ILE C 207 60.579 54.900 105.539 1.00 65.37 H -ATOM 7763 HG12 ILE C 207 63.313 53.886 106.369 1.00 70.65 H -ATOM 7764 HG13 ILE C 207 61.852 53.462 107.262 1.00 70.65 H -ATOM 7765 HG21 ILE C 207 62.461 54.948 103.862 1.00 65.18 H -ATOM 7766 HG22 ILE C 207 61.845 56.541 104.255 1.00 65.18 H -ATOM 7767 HG23 ILE C 207 63.368 55.983 104.977 1.00 65.18 H -ATOM 7768 HD11 ILE C 207 62.375 51.691 105.710 1.00 73.75 H -ATOM 7769 HD12 ILE C 207 60.866 52.472 105.228 1.00 73.75 H -ATOM 7770 HD13 ILE C 207 62.368 52.799 104.342 1.00 73.75 H -ATOM 7771 N LYS C 208 59.856 57.738 106.401 1.00 61.59 N -ATOM 7772 CA LYS C 208 59.348 59.051 105.991 1.00 59.66 C -ATOM 7773 C LYS C 208 59.745 60.127 106.998 1.00 57.59 C -ATOM 7774 O LYS C 208 60.253 61.181 106.619 1.00 56.86 O -ATOM 7775 CB LYS C 208 57.827 58.948 105.804 1.00 58.14 C -ATOM 7776 CG LYS C 208 57.228 60.202 105.160 1.00 53.84 C -ATOM 7777 CD LYS C 208 55.738 59.987 104.866 1.00 55.86 C -ATOM 7778 CE LYS C 208 55.096 61.275 104.329 1.00 62.06 C -ATOM 7779 NZ LYS C 208 53.672 61.071 103.959 1.00 63.13 N -ATOM 7780 H LYS C 208 59.200 56.990 106.572 1.00 73.91 H -ATOM 7781 HA LYS C 208 59.810 59.313 105.040 1.00 71.60 H -ATOM 7782 HB2 LYS C 208 57.606 58.089 105.172 1.00 69.77 H -ATOM 7783 HB3 LYS C 208 57.351 58.779 106.769 1.00 69.77 H -ATOM 7784 HG2 LYS C 208 57.349 61.049 105.836 1.00 64.60 H -ATOM 7785 HG3 LYS C 208 57.751 60.417 104.228 1.00 64.60 H -ATOM 7786 HD2 LYS C 208 55.630 59.185 104.136 1.00 67.03 H -ATOM 7787 HD3 LYS C 208 55.230 59.696 105.785 1.00 67.03 H -ATOM 7788 HE2 LYS C 208 55.174 62.043 105.097 1.00 74.47 H -ATOM 7789 HE3 LYS C 208 55.660 61.616 103.462 1.00 74.47 H -ATOM 7790 HZ1 LYS C 208 53.253 61.936 103.648 1.00 75.76 H -ATOM 7791 HZ2 LYS C 208 53.595 60.402 103.208 1.00 75.76 H -ATOM 7792 HZ3 LYS C 208 53.131 60.741 104.745 1.00 75.76 H -ATOM 7793 N ASP C 209 59.599 59.826 108.282 1.00 59.90 N -ATOM 7794 CA ASP C 209 59.998 60.714 109.374 1.00 67.42 C -ATOM 7795 C ASP C 209 61.521 60.878 109.475 1.00 61.46 C -ATOM 7796 O ASP C 209 62.003 61.939 109.864 1.00 62.47 O -ATOM 7797 CB ASP C 209 59.444 60.180 110.703 1.00 77.12 C -ATOM 7798 CG ASP C 209 57.931 59.947 110.708 1.00 83.18 C -ATOM 7799 OD1 ASP C 209 57.171 60.877 110.364 1.00 77.19 O -ATOM 7800 OD2 ASP C 209 57.506 58.823 111.063 1.00 79.55 O -ATOM 7801 H ASP C 209 59.228 58.916 108.506 1.00 71.88 H -ATOM 7802 HA ASP C 209 59.573 61.701 109.199 1.00 80.91 H -ATOM 7803 HB2 ASP C 209 59.951 59.246 110.942 1.00 92.55 H -ATOM 7804 HB3 ASP C 209 59.680 60.902 111.483 1.00 92.55 H -ATOM 7805 N PHE C 210 62.293 59.854 109.119 1.00 56.62 N -ATOM 7806 CA PHE C 210 63.753 59.906 109.090 1.00 57.61 C -ATOM 7807 C PHE C 210 64.283 60.744 107.926 1.00 52.22 C -ATOM 7808 O PHE C 210 65.118 61.627 108.108 1.00 53.18 O -ATOM 7809 CB PHE C 210 64.275 58.474 109.006 1.00 53.36 C -ATOM 7810 CG PHE C 210 65.776 58.384 108.886 1.00 42.24 C -ATOM 7811 CD1 PHE C 210 66.587 58.618 110.006 1.00 40.12 C -ATOM 7812 CD2 PHE C 210 66.364 58.090 107.647 1.00 45.80 C -ATOM 7813 CE1 PHE C 210 67.984 58.552 109.894 1.00 46.69 C -ATOM 7814 CE2 PHE C 210 67.761 58.020 107.536 1.00 49.43 C -ATOM 7815 CZ PHE C 210 68.573 58.249 108.659 1.00 48.62 C -ATOM 7816 H PHE C 210 61.841 58.982 108.885 1.00 67.94 H -ATOM 7817 HA PHE C 210 64.120 60.361 110.010 1.00 69.13 H -ATOM 7818 HB2 PHE C 210 63.950 57.934 109.894 1.00 64.03 H -ATOM 7819 HB3 PHE C 210 63.831 57.973 108.146 1.00 64.03 H -ATOM 7820 HD1 PHE C 210 66.142 58.843 110.963 1.00 48.15 H -ATOM 7821 HD2 PHE C 210 65.749 57.910 106.779 1.00 54.96 H -ATOM 7822 HE1 PHE C 210 68.606 58.726 110.759 1.00 56.03 H -ATOM 7823 HE2 PHE C 210 68.214 57.781 106.586 1.00 59.31 H -ATOM 7824 HZ PHE C 210 69.647 58.189 108.569 1.00 58.34 H -ATOM 7825 N LEU C 211 63.767 60.519 106.720 1.00 51.72 N -ATOM 7826 CA LEU C 211 64.170 61.238 105.513 1.00 55.39 C -ATOM 7827 C LEU C 211 63.825 62.726 105.608 1.00 56.59 C -ATOM 7828 O LEU C 211 64.705 63.572 105.448 1.00 54.09 O -ATOM 7829 CB LEU C 211 63.499 60.592 104.292 1.00 58.87 C -ATOM 7830 CG LEU C 211 64.039 59.206 103.919 1.00 61.58 C -ATOM 7831 CD1 LEU C 211 63.197 58.667 102.767 1.00 60.33 C -ATOM 7832 CD2 LEU C 211 65.502 59.247 103.484 1.00 54.87 C -ATOM 7833 H LEU C 211 63.081 59.782 106.639 1.00 62.07 H -ATOM 7834 HA LEU C 211 65.251 61.168 105.396 1.00 66.47 H -ATOM 7835 HB2 LEU C 211 62.433 60.501 104.495 1.00 70.64 H -ATOM 7836 HB3 LEU C 211 63.622 61.249 103.432 1.00 70.64 H -ATOM 7837 HG LEU C 211 63.948 58.529 104.767 1.00 73.90 H -ATOM 7838 HD11 LEU C 211 63.550 57.668 102.515 1.00 72.40 H -ATOM 7839 HD12 LEU C 211 62.150 58.610 103.061 1.00 72.40 H -ATOM 7840 HD13 LEU C 211 63.293 59.306 101.890 1.00 72.40 H -ATOM 7841 HD21 LEU C 211 65.798 58.261 103.128 1.00 65.85 H -ATOM 7842 HD22 LEU C 211 65.638 59.968 102.680 1.00 65.85 H -ATOM 7843 HD23 LEU C 211 66.140 59.504 104.327 1.00 65.85 H -ATOM 7844 N SER C 212 62.584 63.041 105.972 1.00 57.98 N -ATOM 7845 CA SER C 212 62.164 64.418 106.267 1.00 61.36 C -ATOM 7846 C SER C 212 62.609 64.898 107.667 1.00 63.04 C -ATOM 7847 O SER C 212 62.206 65.969 108.119 1.00 65.53 O -ATOM 7848 CB SER C 212 60.657 64.582 106.035 1.00 60.11 C -ATOM 7849 OG SER C 212 59.898 63.823 106.957 1.00 63.18 O -ATOM 7850 H SER C 212 61.924 62.293 106.127 1.00 69.57 H -ATOM 7851 HA SER C 212 62.651 65.069 105.542 1.00 73.64 H -ATOM 7852 HB2 SER C 212 60.393 65.634 106.137 1.00 72.13 H -ATOM 7853 HB3 SER C 212 60.414 64.269 105.020 1.00 72.13 H -ATOM 7854 HG SER C 212 60.013 62.891 106.763 1.00 75.82 H -ATOM 7855 N GLY C 213 63.449 64.119 108.359 1.00 61.30 N -ATOM 7856 CA GLY C 213 63.983 64.424 109.682 1.00 59.88 C -ATOM 7857 C GLY C 213 65.183 65.369 109.697 1.00 63.69 C -ATOM 7858 O GLY C 213 65.764 65.712 108.669 1.00 62.10 O -ATOM 7859 H GLY C 213 63.744 63.251 107.939 1.00 73.56 H -ATOM 7860 HA2 GLY C 213 63.197 64.876 110.285 1.00 71.86 H -ATOM 7861 HA3 GLY C 213 64.275 63.494 110.166 1.00 71.86 H -ATOM 7862 N SER C 214 65.566 65.759 110.908 1.00 68.89 N -ATOM 7863 CA SER C 214 66.687 66.641 111.264 1.00 64.20 C -ATOM 7864 C SER C 214 66.972 66.486 112.770 1.00 64.36 C -ATOM 7865 O SER C 214 66.134 65.909 113.462 1.00 63.69 O -ATOM 7866 CB SER C 214 66.322 68.095 110.918 1.00 65.62 C -ATOM 7867 OG SER C 214 65.092 68.486 111.495 1.00 69.11 O -ATOM 7868 H SER C 214 65.024 65.429 111.692 1.00 82.67 H -ATOM 7869 HA SER C 214 67.574 66.353 110.701 1.00 77.04 H -ATOM 7870 HB2 SER C 214 67.102 68.773 111.263 1.00 78.74 H -ATOM 7871 HB3 SER C 214 66.244 68.188 109.835 1.00 78.74 H -ATOM 7872 HG SER C 214 65.242 68.663 112.426 1.00 82.93 H -ATOM 7873 N PRO C 215 68.107 66.958 113.312 1.00 60.48 N -ATOM 7874 CA PRO C 215 69.307 67.424 112.619 1.00 62.16 C -ATOM 7875 C PRO C 215 70.155 66.252 112.106 1.00 59.39 C -ATOM 7876 O PRO C 215 70.209 65.202 112.739 1.00 63.10 O -ATOM 7877 CB PRO C 215 70.073 68.212 113.682 1.00 65.04 C -ATOM 7878 CG PRO C 215 69.756 67.454 114.972 1.00 69.92 C -ATOM 7879 CD PRO C 215 68.327 66.966 114.752 1.00 66.19 C -ATOM 7880 HA PRO C 215 69.062 68.089 111.791 1.00 74.59 H -ATOM 7881 HB2 PRO C 215 71.144 68.245 113.486 1.00 78.05 H -ATOM 7882 HB3 PRO C 215 69.668 69.221 113.747 1.00 78.05 H -ATOM 7883 HG2 PRO C 215 70.425 66.601 115.078 1.00 83.91 H -ATOM 7884 HG3 PRO C 215 69.828 68.102 115.845 1.00 83.91 H -ATOM 7885 HD2 PRO C 215 68.204 65.970 115.172 1.00 79.43 H -ATOM 7886 HD3 PRO C 215 67.629 67.656 115.220 1.00 79.43 H -ATOM 7887 N LYS C 216 70.819 66.427 110.960 1.00 54.78 N -ATOM 7888 CA LYS C 216 71.718 65.434 110.342 1.00 49.65 C -ATOM 7889 C LYS C 216 72.624 66.089 109.297 1.00 51.50 C -ATOM 7890 O LYS C 216 72.327 67.185 108.824 1.00 51.60 O -ATOM 7891 CB LYS C 216 70.902 64.270 109.752 1.00 50.86 C -ATOM 7892 CG LYS C 216 69.868 64.710 108.712 1.00 51.96 C -ATOM 7893 CD LYS C 216 69.044 63.507 108.253 1.00 54.14 C -ATOM 7894 CE LYS C 216 68.040 63.986 107.202 1.00 55.33 C -ATOM 7895 NZ LYS C 216 67.204 62.872 106.690 1.00 55.17 N -ATOM 7896 H LYS C 216 70.759 67.328 110.512 1.00 65.73 H -ATOM 7897 HA LYS C 216 72.374 65.025 111.110 1.00 59.58 H -ATOM 7898 HB2 LYS C 216 71.576 63.550 109.289 1.00 61.03 H -ATOM 7899 HB3 LYS C 216 70.387 63.755 110.562 1.00 61.03 H -ATOM 7900 HG2 LYS C 216 69.197 65.452 109.142 1.00 62.35 H -ATOM 7901 HG3 LYS C 216 70.381 65.148 107.857 1.00 62.35 H -ATOM 7902 HD2 LYS C 216 69.709 62.759 107.823 1.00 64.97 H -ATOM 7903 HD3 LYS C 216 68.520 63.079 109.106 1.00 64.97 H -ATOM 7904 HE2 LYS C 216 67.420 64.759 107.653 1.00 66.39 H -ATOM 7905 HE3 LYS C 216 68.593 64.453 106.389 1.00 66.39 H -ATOM 7906 HZ1 LYS C 216 66.523 63.208 106.027 1.00 66.20 H -ATOM 7907 HZ2 LYS C 216 67.778 62.176 106.239 1.00 66.20 H -ATOM 7908 HZ3 LYS C 216 66.700 62.426 107.442 1.00 66.20 H -ATOM 7909 N GLN C 217 73.714 65.434 108.907 1.00 50.87 N -ATOM 7910 CA GLN C 217 74.752 66.054 108.068 1.00 53.64 C -ATOM 7911 C GLN C 217 74.384 66.153 106.577 1.00 51.31 C -ATOM 7912 O GLN C 217 75.037 66.886 105.835 1.00 51.55 O -ATOM 7913 CB GLN C 217 76.075 65.293 108.254 1.00 62.60 C -ATOM 7914 CG GLN C 217 76.562 65.345 109.710 1.00 70.12 C -ATOM 7915 CD GLN C 217 77.950 64.737 109.895 1.00 84.42 C -ATOM 7916 OE1 GLN C 217 78.964 65.418 109.920 1.00 81.52 O -ATOM 7917 NE2 GLN C 217 78.053 63.442 110.049 1.00 79.94 N -ATOM 7918 H GLN C 217 73.863 64.494 109.242 1.00 61.04 H -ATOM 7919 HA GLN C 217 74.910 67.076 108.412 1.00 64.37 H -ATOM 7920 HB2 GLN C 217 75.953 64.255 107.946 1.00 75.11 H -ATOM 7921 HB3 GLN C 217 76.836 65.751 107.624 1.00 75.11 H -ATOM 7922 HG2 GLN C 217 76.594 66.383 110.037 1.00 84.14 H -ATOM 7923 HG3 GLN C 217 75.863 64.809 110.350 1.00 84.14 H -ATOM 7924 HE21 GLN C 217 78.970 63.056 110.217 1.00 95.92 H -ATOM 7925 HE22 GLN C 217 77.254 62.843 109.898 1.00 95.92 H -ATOM 7926 N SER C 218 73.367 65.413 106.123 1.00 47.41 N -ATOM 7927 CA SER C 218 72.974 65.282 104.711 1.00 41.18 C -ATOM 7928 C SER C 218 72.046 66.379 104.178 1.00 34.50 C -ATOM 7929 O SER C 218 71.813 66.443 102.976 1.00 37.80 O -ATOM 7930 CB SER C 218 72.252 63.944 104.543 1.00 46.97 C -ATOM 7931 OG SER C 218 71.025 63.953 105.259 1.00 44.62 O -ATOM 7932 H SER C 218 72.899 64.812 106.784 1.00 56.89 H -ATOM 7933 HA SER C 218 73.868 65.270 104.088 1.00 49.42 H -ATOM 7934 HB2 SER C 218 72.067 63.753 103.487 1.00 56.37 H -ATOM 7935 HB3 SER C 218 72.886 63.145 104.927 1.00 56.37 H -ATOM 7936 HG SER C 218 70.407 64.537 104.816 1.00 53.54 H -ATOM 7937 N GLY C 219 71.426 67.170 105.052 1.00 34.78 N -ATOM 7938 CA GLY C 219 70.218 67.927 104.711 1.00 36.43 C -ATOM 7939 C GLY C 219 68.966 67.050 104.614 1.00 39.65 C -ATOM 7940 O GLY C 219 69.039 65.820 104.579 1.00 42.32 O -ATOM 7941 H GLY C 219 71.687 67.107 106.024 1.00 41.73 H -ATOM 7942 HA2 GLY C 219 70.045 68.682 105.476 1.00 43.72 H -ATOM 7943 HA3 GLY C 219 70.351 68.440 103.761 1.00 43.72 H -ATOM 7944 N GLU C 220 67.803 67.693 104.617 1.00 44.61 N -ATOM 7945 CA GLU C 220 66.471 67.072 104.598 1.00 52.20 C -ATOM 7946 C GLU C 220 65.983 66.741 103.174 1.00 49.81 C -ATOM 7947 O GLU C 220 66.346 67.414 102.210 1.00 47.28 O -ATOM 7948 CB GLU C 220 65.505 68.032 105.311 1.00 61.77 C -ATOM 7949 CG GLU C 220 64.116 67.441 105.572 1.00 67.70 C -ATOM 7950 CD GLU C 220 63.172 68.456 106.232 1.00 82.12 C -ATOM 7951 OE1 GLU C 220 63.591 69.173 107.167 1.00 81.37 O -ATOM 7952 OE2 GLU C 220 62.010 68.575 105.783 1.00 83.00 O -ATOM 7953 H GLU C 220 67.834 68.701 104.639 1.00 53.54 H -ATOM 7954 HA GLU C 220 66.507 66.145 105.169 1.00 62.64 H -ATOM 7955 HB2 GLU C 220 65.945 68.312 106.266 1.00 74.12 H -ATOM 7956 HB3 GLU C 220 65.394 68.932 104.708 1.00 74.12 H -ATOM 7957 HG2 GLU C 220 63.675 67.116 104.631 1.00 81.24 H -ATOM 7958 HG3 GLU C 220 64.234 66.570 106.215 1.00 81.24 H -ATOM 7959 N LEU C 221 65.140 65.718 103.020 1.00 55.74 N -ATOM 7960 CA LEU C 221 64.527 65.352 101.740 1.00 53.33 C -ATOM 7961 C LEU C 221 63.008 65.591 101.747 1.00 52.57 C -ATOM 7962 O LEU C 221 62.291 65.057 102.593 1.00 55.98 O -ATOM 7963 CB LEU C 221 64.896 63.893 101.442 1.00 60.36 C -ATOM 7964 CG LEU C 221 64.329 63.347 100.123 1.00 60.48 C -ATOM 7965 CD1 LEU C 221 64.923 64.055 98.908 1.00 59.78 C -ATOM 7966 CD2 LEU C 221 64.668 61.864 100.014 1.00 62.36 C -ATOM 7967 H LEU C 221 64.859 65.188 103.832 1.00 66.88 H -ATOM 7968 HA LEU C 221 64.951 65.967 100.947 1.00 63.99 H -ATOM 7969 HB2 LEU C 221 65.981 63.800 101.422 1.00 72.43 H -ATOM 7970 HB3 LEU C 221 64.523 63.276 102.259 1.00 72.43 H -ATOM 7971 HG LEU C 221 63.245 63.453 100.112 1.00 72.57 H -ATOM 7972 HD11 LEU C 221 64.551 63.584 98.000 1.00 71.74 H -ATOM 7973 HD12 LEU C 221 64.622 65.101 98.890 1.00 71.74 H -ATOM 7974 HD13 LEU C 221 66.008 63.989 98.925 1.00 71.74 H -ATOM 7975 HD21 LEU C 221 64.150 61.441 99.155 1.00 74.83 H -ATOM 7976 HD22 LEU C 221 65.742 61.726 99.904 1.00 74.83 H -ATOM 7977 HD23 LEU C 221 64.331 61.331 100.902 1.00 74.83 H -ATOM 7978 N LYS C 222 62.533 66.382 100.784 1.00 49.49 N -ATOM 7979 CA LYS C 222 61.123 66.750 100.575 1.00 58.32 C -ATOM 7980 C LYS C 222 60.377 65.782 99.644 1.00 57.31 C -ATOM 7981 O LYS C 222 60.989 64.934 99.001 1.00 57.00 O -ATOM 7982 CB LYS C 222 61.078 68.180 100.001 1.00 63.93 C -ATOM 7983 CG LYS C 222 61.614 69.271 100.937 1.00 69.43 C -ATOM 7984 CD LYS C 222 60.856 69.338 102.266 1.00 78.91 C -ATOM 7985 CE LYS C 222 61.246 70.605 103.027 1.00 86.25 C -ATOM 7986 NZ LYS C 222 60.666 70.608 104.390 1.00 91.82 N -ATOM 7987 H LYS C 222 63.203 66.769 100.135 1.00 59.39 H -ATOM 7988 HA LYS C 222 60.594 66.726 101.528 1.00 69.99 H -ATOM 7989 HB2 LYS C 222 61.650 68.212 99.075 1.00 76.71 H -ATOM 7990 HB3 LYS C 222 60.051 68.442 99.757 1.00 76.71 H -ATOM 7991 HG2 LYS C 222 62.671 69.102 101.134 1.00 83.32 H -ATOM 7992 HG3 LYS C 222 61.513 70.228 100.427 1.00 83.32 H -ATOM 7993 HD2 LYS C 222 59.784 69.352 102.078 1.00 94.69 H -ATOM 7994 HD3 LYS C 222 61.105 68.463 102.863 1.00 94.69 H -ATOM 7995 HE2 LYS C 222 62.332 70.663 103.085 1.00103.50 H -ATOM 7996 HE3 LYS C 222 60.895 71.468 102.464 1.00103.50 H -ATOM 7997 HZ1 LYS C 222 61.051 69.857 104.942 1.00110.19 H -ATOM 7998 HZ2 LYS C 222 60.874 71.472 104.870 1.00110.19 H -ATOM 7999 HZ3 LYS C 222 59.664 70.500 104.363 1.00110.19 H -ATOM 8000 N GLY C 223 59.055 65.951 99.531 1.00 52.68 N -ATOM 8001 CA GLY C 223 58.237 65.353 98.461 1.00 48.04 C -ATOM 8002 C GLY C 223 57.958 63.852 98.590 1.00 48.91 C -ATOM 8003 O GLY C 223 57.643 63.190 97.602 1.00 52.35 O -ATOM 8004 H GLY C 223 58.624 66.663 100.102 1.00 63.22 H -ATOM 8005 HA2 GLY C 223 57.275 65.863 98.438 1.00 57.65 H -ATOM 8006 HA3 GLY C 223 58.725 65.525 97.502 1.00 57.65 H -ATOM 8007 N LEU C 224 58.101 63.300 99.791 1.00 45.43 N -ATOM 8008 CA LEU C 224 57.921 61.877 100.080 1.00 48.10 C -ATOM 8009 C LEU C 224 56.442 61.459 99.963 1.00 51.01 C -ATOM 8010 O LEU C 224 55.555 62.248 100.295 1.00 52.75 O -ATOM 8011 CB LEU C 224 58.462 61.596 101.494 1.00 50.08 C -ATOM 8012 CG LEU C 224 59.899 62.079 101.772 1.00 50.95 C -ATOM 8013 CD1 LEU C 224 60.215 61.890 103.250 1.00 56.34 C -ATOM 8014 CD2 LEU C 224 60.937 61.303 100.968 1.00 52.22 C -ATOM 8015 H LEU C 224 58.320 63.918 100.558 1.00 54.52 H -ATOM 8016 HA LEU C 224 58.497 61.294 99.362 1.00 57.71 H -ATOM 8017 HB2 LEU C 224 57.796 62.084 102.205 1.00 60.10 H -ATOM 8018 HB3 LEU C 224 58.416 60.523 101.678 1.00 60.10 H -ATOM 8019 HG LEU C 224 59.991 63.141 101.548 1.00 61.14 H -ATOM 8020 HD11 LEU C 224 61.179 62.346 103.465 1.00 67.61 H -ATOM 8021 HD12 LEU C 224 59.455 62.381 103.856 1.00 67.61 H -ATOM 8022 HD13 LEU C 224 60.241 60.827 103.487 1.00 67.61 H -ATOM 8023 HD21 LEU C 224 61.936 61.631 101.252 1.00 62.67 H -ATOM 8024 HD22 LEU C 224 60.841 60.234 101.153 1.00 62.67 H -ATOM 8025 HD23 LEU C 224 60.798 61.499 99.906 1.00 62.67 H -ATOM 8026 N LYS C 225 56.166 60.215 99.539 1.00 54.62 N -ATOM 8027 CA LYS C 225 54.804 59.639 99.503 1.00 59.45 C -ATOM 8028 C LYS C 225 54.509 58.746 100.713 1.00 61.32 C -ATOM 8029 O LYS C 225 54.323 59.269 101.810 1.00 60.78 O -ATOM 8030 CB LYS C 225 54.481 59.005 98.137 1.00 60.34 C -ATOM 8031 CG LYS C 225 54.342 60.072 97.041 1.00 60.34 C -ATOM 8032 CD LYS C 225 53.801 59.468 95.740 1.00 60.34 C -ATOM 8033 CE LYS C 225 53.591 60.582 94.717 1.00 60.34 C -ATOM 8034 NZ LYS C 225 52.998 60.063 93.462 1.00 60.34 N -ATOM 8035 H LYS C 225 56.936 59.623 99.262 1.00 65.54 H -ATOM 8036 HA LYS C 225 54.087 60.452 99.620 1.00 60.34 H -ATOM 8037 HB2 LYS C 225 55.252 58.287 97.859 1.00 60.34 H -ATOM 8038 HB3 LYS C 225 53.528 58.483 98.210 1.00 60.34 H -ATOM 8039 HG2 LYS C 225 53.650 60.841 97.383 1.00 60.34 H -ATOM 8040 HG3 LYS C 225 55.312 60.530 96.853 1.00 60.34 H -ATOM 8041 HD2 LYS C 225 54.510 58.737 95.355 1.00 60.34 H -ATOM 8042 HD3 LYS C 225 52.851 58.976 95.938 1.00 60.34 H -ATOM 8043 HE2 LYS C 225 52.935 61.333 95.154 1.00 60.34 H -ATOM 8044 HE3 LYS C 225 54.550 61.051 94.510 1.00 60.34 H -ATOM 8045 HZ1 LYS C 225 53.595 59.373 93.037 1.00 60.34 H -ATOM 8046 HZ2 LYS C 225 52.105 59.633 93.634 1.00 60.34 H -ATOM 8047 HZ3 LYS C 225 52.855 60.800 92.791 1.00 60.34 H -ATOM 8048 N ASP C 226 54.423 57.427 100.545 1.00 57.59 N -ATOM 8049 CA ASP C 226 53.907 56.515 101.577 1.00 59.93 C -ATOM 8050 C ASP C 226 54.261 55.043 101.291 1.00 61.03 C -ATOM 8051 O ASP C 226 55.054 54.422 102.003 1.00 58.12 O -ATOM 8052 CB ASP C 226 52.382 56.708 101.723 1.00 61.11 C -ATOM 8053 CG ASP C 226 51.654 57.084 100.423 1.00 60.43 C -ATOM 8054 OD1 ASP C 226 51.776 56.349 99.424 1.00 54.39 O -ATOM 8055 OD2 ASP C 226 50.955 58.119 100.403 1.00 71.10 O -ATOM 8056 H ASP C 226 54.581 57.056 99.620 1.00 69.11 H -ATOM 8057 HA ASP C 226 54.368 56.761 102.533 1.00 71.91 H -ATOM 8058 HB2 ASP C 226 51.938 55.798 102.124 1.00 73.33 H -ATOM 8059 HB3 ASP C 226 52.215 57.496 102.457 1.00 73.33 H -ATOM 8060 N GLU C 227 53.717 54.510 100.201 1.00 58.87 N -ATOM 8061 CA GLU C 227 53.980 53.183 99.654 1.00 57.21 C -ATOM 8062 C GLU C 227 54.366 53.319 98.176 1.00 55.85 C -ATOM 8063 O GLU C 227 53.661 53.965 97.400 1.00 54.82 O -ATOM 8064 CB GLU C 227 52.737 52.301 99.852 1.00 55.42 C -ATOM 8065 CG GLU C 227 52.895 50.913 99.226 1.00 58.29 C -ATOM 8066 CD GLU C 227 51.672 50.019 99.466 1.00 69.78 C -ATOM 8067 OE1 GLU C 227 51.165 49.960 100.609 1.00 72.02 O -ATOM 8068 OE2 GLU C 227 51.233 49.340 98.512 1.00 67.84 O -ATOM 8069 H GLU C 227 53.066 55.084 99.685 1.00 70.64 H -ATOM 8070 HA GLU C 227 54.814 52.723 100.183 1.00 68.65 H -ATOM 8071 HB2 GLU C 227 52.552 52.201 100.921 1.00 66.51 H -ATOM 8072 HB3 GLU C 227 51.876 52.790 99.400 1.00 66.51 H -ATOM 8073 HG2 GLU C 227 53.060 51.018 98.158 1.00 69.94 H -ATOM 8074 HG3 GLU C 227 53.774 50.437 99.652 1.00 69.94 H -ATOM 8075 N TYR C 228 55.469 52.692 97.775 1.00 52.56 N -ATOM 8076 CA TYR C 228 55.947 52.684 96.396 1.00 47.70 C -ATOM 8077 C TYR C 228 55.624 51.316 95.777 1.00 45.00 C -ATOM 8078 O TYR C 228 56.192 50.310 96.207 1.00 47.01 O -ATOM 8079 CB TYR C 228 57.444 53.003 96.385 1.00 48.01 C -ATOM 8080 CG TYR C 228 57.737 54.425 96.827 1.00 48.69 C -ATOM 8081 CD1 TYR C 228 57.923 54.724 98.189 1.00 50.67 C -ATOM 8082 CD2 TYR C 228 57.750 55.463 95.877 1.00 47.86 C -ATOM 8083 CE1 TYR C 228 58.085 56.060 98.601 1.00 51.86 C -ATOM 8084 CE2 TYR C 228 57.914 56.800 96.286 1.00 46.80 C -ATOM 8085 CZ TYR C 228 58.069 57.103 97.653 1.00 47.22 C -ATOM 8086 OH TYR C 228 58.193 58.396 98.056 1.00 50.06 O -ATOM 8087 H TYR C 228 55.980 52.138 98.446 1.00 63.08 H -ATOM 8088 HA TYR C 228 55.460 53.477 95.830 1.00 57.24 H -ATOM 8089 HB2 TYR C 228 57.969 52.307 97.038 1.00 57.61 H -ATOM 8090 HB3 TYR C 228 57.827 52.861 95.375 1.00 57.61 H -ATOM 8091 HD1 TYR C 228 57.916 53.929 98.920 1.00 60.81 H -ATOM 8092 HD2 TYR C 228 57.605 55.238 94.832 1.00 57.44 H -ATOM 8093 HE1 TYR C 228 58.222 56.295 99.646 1.00 62.23 H -ATOM 8094 HE2 TYR C 228 57.902 57.592 95.553 1.00 56.16 H -ATOM 8095 HH TYR C 228 58.427 58.955 97.318 1.00 60.07 H -ATOM 8096 N PRO C 229 54.705 51.242 94.801 1.00 43.96 N -ATOM 8097 CA PRO C 229 54.197 49.978 94.286 1.00 45.60 C -ATOM 8098 C PRO C 229 55.023 49.490 93.104 1.00 47.10 C -ATOM 8099 O PRO C 229 55.449 50.286 92.271 1.00 50.50 O -ATOM 8100 CB PRO C 229 52.764 50.287 93.865 1.00 46.40 C -ATOM 8101 CG PRO C 229 52.867 51.721 93.351 1.00 44.36 C -ATOM 8102 CD PRO C 229 53.920 52.344 94.264 1.00 44.81 C -ATOM 8103 HA PRO C 229 54.188 49.215 95.065 1.00 54.73 H -ATOM 8104 HB2 PRO C 229 52.402 49.599 93.102 1.00 55.68 H -ATOM 8105 HB3 PRO C 229 52.115 50.261 94.740 1.00 55.68 H -ATOM 8106 HG2 PRO C 229 53.220 51.726 92.321 1.00 53.23 H -ATOM 8107 HG3 PRO C 229 51.915 52.245 93.430 1.00 53.23 H -ATOM 8108 HD2 PRO C 229 54.547 53.034 93.700 1.00 53.77 H -ATOM 8109 HD3 PRO C 229 53.415 52.866 95.075 1.00 53.77 H -ATOM 8110 N PHE C 230 55.186 48.176 92.959 1.00 51.84 N -ATOM 8111 CA PHE C 230 55.844 47.575 91.791 1.00 51.68 C -ATOM 8112 C PHE C 230 54.877 47.505 90.604 1.00 49.39 C -ATOM 8113 O PHE C 230 54.658 46.460 89.998 1.00 52.42 O -ATOM 8114 CB PHE C 230 56.481 46.231 92.181 1.00 58.70 C -ATOM 8115 CG PHE C 230 57.655 45.790 91.318 1.00 54.35 C -ATOM 8116 CD1 PHE C 230 58.966 46.152 91.683 1.00 50.83 C -ATOM 8117 CD2 PHE C 230 57.456 44.954 90.203 1.00 56.30 C -ATOM 8118 CE1 PHE C 230 60.063 45.667 90.950 1.00 52.81 C -ATOM 8119 CE2 PHE C 230 58.554 44.484 89.462 1.00 58.85 C -ATOM 8120 CZ PHE C 230 59.858 44.833 89.841 1.00 56.08 C -ATOM 8121 H PHE C 230 54.776 47.557 93.643 1.00 62.21 H -ATOM 8122 HA PHE C 230 56.657 48.232 91.485 1.00 62.02 H -ATOM 8123 HB2 PHE C 230 56.853 46.320 93.202 1.00 70.44 H -ATOM 8124 HB3 PHE C 230 55.720 45.451 92.195 1.00 70.44 H -ATOM 8125 HD1 PHE C 230 59.135 46.778 92.546 1.00 61.00 H -ATOM 8126 HD2 PHE C 230 56.459 44.645 89.928 1.00 67.56 H -ATOM 8127 HE1 PHE C 230 61.070 45.929 91.237 1.00 63.37 H -ATOM 8128 HE2 PHE C 230 58.396 43.833 88.616 1.00 70.62 H -ATOM 8129 HZ PHE C 230 60.701 44.458 89.283 1.00 67.29 H -ATOM 8130 N GLU C 231 54.218 48.622 90.311 1.00 54.45 N -ATOM 8131 CA GLU C 231 53.332 48.750 89.160 1.00 61.26 C -ATOM 8132 C GLU C 231 54.175 48.792 87.886 1.00 61.88 C -ATOM 8133 O GLU C 231 54.955 49.713 87.644 1.00 59.26 O -ATOM 8134 CB GLU C 231 52.397 49.963 89.307 1.00 63.72 C -ATOM 8135 CG GLU C 231 51.211 49.611 90.224 1.00 68.07 C -ATOM 8136 CD GLU C 231 50.440 50.834 90.750 1.00 81.81 C -ATOM 8137 OE1 GLU C 231 50.279 51.834 90.014 1.00 88.13 O -ATOM 8138 OE2 GLU C 231 49.956 50.782 91.901 1.00 81.94 O -ATOM 8139 H GLU C 231 54.468 49.454 90.822 1.00 65.34 H -ATOM 8140 HA GLU C 231 52.695 47.868 89.106 1.00 73.52 H -ATOM 8141 HB2 GLU C 231 52.956 50.802 89.719 1.00 76.46 H -ATOM 8142 HB3 GLU C 231 52.008 50.242 88.328 1.00 76.46 H -ATOM 8143 HG2 GLU C 231 50.529 48.965 89.672 1.00 81.68 H -ATOM 8144 HG3 GLU C 231 51.582 49.036 91.070 1.00 81.68 H -ATOM 8145 N LYS C 232 54.027 47.728 87.096 1.00 66.10 N -ATOM 8146 CA LYS C 232 54.769 47.458 85.868 1.00 65.59 C -ATOM 8147 C LYS C 232 54.572 48.599 84.866 1.00 76.45 C -ATOM 8148 O LYS C 232 53.452 49.081 84.706 1.00 79.33 O -ATOM 8149 CB LYS C 232 54.266 46.098 85.356 1.00 75.37 C -ATOM 8150 CG LYS C 232 55.112 45.506 84.233 1.00 86.41 C -ATOM 8151 CD LYS C 232 54.602 44.110 83.840 1.00 95.90 C -ATOM 8152 CE LYS C 232 55.172 43.622 82.502 1.00103.67 C -ATOM 8153 NZ LYS C 232 56.654 43.571 82.492 1.00 96.71 N -ATOM 8154 H LYS C 232 53.378 47.019 87.402 1.00 79.32 H -ATOM 8155 HA LYS C 232 55.831 47.382 86.101 1.00 78.71 H -ATOM 8156 HB2 LYS C 232 54.275 45.388 86.182 1.00 90.44 H -ATOM 8157 HB3 LYS C 232 53.239 46.205 85.011 1.00 90.44 H -ATOM 8158 HG2 LYS C 232 55.073 46.172 83.372 1.00103.70 H -ATOM 8159 HG3 LYS C 232 56.136 45.414 84.595 1.00103.70 H -ATOM 8160 HD2 LYS C 232 54.846 43.398 84.627 1.00115.08 H -ATOM 8161 HD3 LYS C 232 53.518 44.143 83.742 1.00115.08 H -ATOM 8162 HE2 LYS C 232 54.767 42.631 82.302 1.00124.41 H -ATOM 8163 HE3 LYS C 232 54.820 44.285 81.713 1.00124.41 H -ATOM 8164 HZ1 LYS C 232 56.992 43.225 81.607 1.00116.05 H -ATOM 8165 HZ2 LYS C 232 57.054 44.487 82.631 1.00116.05 H -ATOM 8166 HZ3 LYS C 232 57.000 42.962 83.217 1.00116.05 H -ATOM 8167 N ASP C 233 55.637 48.998 84.180 1.00 75.04 N -ATOM 8168 CA ASP C 233 55.755 50.231 83.379 1.00 75.38 C -ATOM 8169 C ASP C 233 55.708 51.545 84.180 1.00 74.44 C -ATOM 8170 O ASP C 233 54.879 51.755 85.065 1.00 78.93 O -ATOM 8171 CB ASP C 233 54.781 50.321 82.189 1.00 76.74 C -ATOM 8172 CG ASP C 233 54.720 49.105 81.264 1.00 81.25 C -ATOM 8173 OD1 ASP C 233 55.686 48.319 81.212 1.00 77.94 O -ATOM 8174 OD2 ASP C 233 53.709 48.991 80.531 1.00 82.74 O -ATOM 8175 H ASP C 233 56.484 48.477 84.350 1.00 90.04 H -ATOM 8176 HA ASP C 233 56.751 50.188 82.938 1.00 90.46 H -ATOM 8177 HB2 ASP C 233 53.780 50.528 82.566 1.00 92.09 H -ATOM 8178 HB3 ASP C 233 55.070 51.182 81.589 1.00 92.09 H -ATOM 8179 N ASN C 234 56.593 52.478 83.812 1.00 81.79 N -ATOM 8180 CA ASN C 234 56.990 53.647 84.618 1.00 79.63 C -ATOM 8181 C ASN C 234 57.593 53.245 85.998 1.00 67.29 C -ATOM 8182 O ASN C 234 57.607 54.033 86.942 1.00 66.70 O -ATOM 8183 CB ASN C 234 55.851 54.704 84.720 1.00 83.42 C -ATOM 8184 CG ASN C 234 54.946 54.877 83.507 1.00 73.14 C -ATOM 8185 OD1 ASN C 234 55.106 55.765 82.679 1.00 67.63 O -ATOM 8186 ND2 ASN C 234 53.934 54.051 83.392 1.00 70.87 N -ATOM 8187 H ASN C 234 57.230 52.207 83.078 1.00 98.14 H -ATOM 8188 HA ASN C 234 57.813 54.114 84.078 1.00 95.55 H -ATOM 8189 HB2 ASN C 234 55.211 54.447 85.563 1.00100.11 H -ATOM 8190 HB3 ASN C 234 56.294 55.673 84.946 1.00100.11 H -ATOM 8191 HD21 ASN C 234 53.293 54.167 82.622 1.00 85.04 H -ATOM 8192 HD22 ASN C 234 53.829 53.315 84.075 1.00 85.04 H -ATOM 8193 N ASN C 235 58.056 51.997 86.121 1.00 68.96 N -ATOM 8194 CA ASN C 235 58.110 51.204 87.354 1.00 63.83 C -ATOM 8195 C ASN C 235 58.902 51.881 88.509 1.00 49.50 C -ATOM 8196 O ASN C 235 60.136 51.882 88.503 1.00 53.90 O -ATOM 8197 CB ASN C 235 58.630 49.822 86.933 1.00 59.51 C -ATOM 8198 CG ASN C 235 58.359 48.734 87.948 1.00 62.01 C -ATOM 8199 OD1 ASN C 235 58.307 48.964 89.145 1.00 49.01 O -ATOM 8200 ND2 ASN C 235 58.201 47.519 87.479 1.00 56.45 N -ATOM 8201 H ASN C 235 58.167 51.482 85.260 1.00 82.76 H -ATOM 8202 HA ASN C 235 57.079 51.053 87.674 1.00 76.60 H -ATOM 8203 HB2 ASN C 235 58.125 49.535 86.012 1.00 71.42 H -ATOM 8204 HB3 ASN C 235 59.701 49.865 86.739 1.00 71.42 H -ATOM 8205 HD21 ASN C 235 58.071 46.768 88.140 1.00 67.74 H -ATOM 8206 HD22 ASN C 235 58.151 47.366 86.483 1.00 67.74 H -ATOM 8207 N PRO C 236 58.218 52.502 89.490 1.00 43.92 N -ATOM 8208 CA PRO C 236 58.772 53.611 90.266 1.00 45.02 C -ATOM 8209 C PRO C 236 59.636 53.212 91.460 1.00 41.94 C -ATOM 8210 O PRO C 236 60.305 54.062 92.041 1.00 44.83 O -ATOM 8211 CB PRO C 236 57.551 54.398 90.737 1.00 52.87 C -ATOM 8212 CG PRO C 236 56.503 53.310 90.919 1.00 54.59 C -ATOM 8213 CD PRO C 236 56.789 52.392 89.737 1.00 52.17 C -ATOM 8214 HA PRO C 236 59.374 54.249 89.619 1.00 54.03 H -ATOM 8215 HB2 PRO C 236 57.736 54.939 91.664 1.00 63.44 H -ATOM 8216 HB3 PRO C 236 57.233 55.083 89.953 1.00 63.44 H -ATOM 8217 HG2 PRO C 236 56.680 52.780 91.855 1.00 65.51 H -ATOM 8218 HG3 PRO C 236 55.491 53.711 90.887 1.00 65.51 H -ATOM 8219 HD2 PRO C 236 56.506 51.367 89.974 1.00 62.61 H -ATOM 8220 HD3 PRO C 236 56.235 52.744 88.867 1.00 62.61 H -ATOM 8221 N VAL C 237 59.649 51.944 91.858 1.00 39.49 N -ATOM 8222 CA VAL C 237 60.377 51.514 93.061 1.00 41.31 C -ATOM 8223 C VAL C 237 61.874 51.798 92.929 1.00 38.95 C -ATOM 8224 O VAL C 237 62.505 52.308 93.854 1.00 43.15 O -ATOM 8225 CB VAL C 237 60.111 50.031 93.365 1.00 45.09 C -ATOM 8226 CG1 VAL C 237 60.766 49.626 94.690 1.00 50.77 C -ATOM 8227 CG2 VAL C 237 58.614 49.727 93.471 1.00 50.96 C -ATOM 8228 H VAL C 237 59.079 51.276 91.359 1.00 47.39 H -ATOM 8229 HA VAL C 237 60.017 52.100 93.907 1.00 49.57 H -ATOM 8230 HB VAL C 237 60.520 49.422 92.560 1.00 54.10 H -ATOM 8231 HG11 VAL C 237 60.556 48.580 94.903 1.00 60.93 H -ATOM 8232 HG12 VAL C 237 61.847 49.756 94.653 1.00 60.93 H -ATOM 8233 HG13 VAL C 237 60.370 50.241 95.496 1.00 60.93 H -ATOM 8234 HG21 VAL C 237 58.464 48.693 93.777 1.00 61.16 H -ATOM 8235 HG22 VAL C 237 58.151 50.382 94.208 1.00 61.16 H -ATOM 8236 HG23 VAL C 237 58.129 49.868 92.506 1.00 61.16 H -ATOM 8237 N GLY C 238 62.441 51.584 91.744 1.00 39.71 N -ATOM 8238 CA GLY C 238 63.828 51.949 91.464 1.00 45.52 C -ATOM 8239 C GLY C 238 64.082 53.455 91.548 1.00 41.90 C -ATOM 8240 O GLY C 238 65.161 53.891 91.950 1.00 38.96 O -ATOM 8241 H GLY C 238 61.883 51.189 91.002 1.00 47.65 H -ATOM 8242 HA2 GLY C 238 64.488 51.446 92.169 1.00 54.62 H -ATOM 8243 HA3 GLY C 238 64.084 51.622 90.458 1.00 54.62 H -ATOM 8244 N ASN C 239 63.096 54.292 91.248 1.00 39.28 N -ATOM 8245 CA ASN C 239 63.260 55.734 91.360 1.00 37.68 C -ATOM 8246 C ASN C 239 63.309 56.190 92.810 1.00 38.18 C -ATOM 8247 O ASN C 239 64.121 57.049 93.148 1.00 37.60 O -ATOM 8248 CB ASN C 239 62.184 56.436 90.545 1.00 44.20 C -ATOM 8249 CG ASN C 239 62.475 56.170 89.091 1.00 50.78 C -ATOM 8250 OD1 ASN C 239 62.067 55.168 88.526 1.00 48.83 O -ATOM 8251 ND2 ASN C 239 63.300 56.993 88.497 1.00 59.88 N -ATOM 8252 H ASN C 239 62.199 53.925 90.965 1.00 47.14 H -ATOM 8253 HA ASN C 239 64.221 56.006 90.926 1.00 45.21 H -ATOM 8254 HB2 ASN C 239 61.189 56.074 90.800 1.00 53.04 H -ATOM 8255 HB3 ASN C 239 62.219 57.509 90.731 1.00 53.04 H -ATOM 8256 HD21 ASN C 239 63.650 56.738 87.585 1.00 71.86 H -ATOM 8257 HD22 ASN C 239 63.640 57.821 88.964 1.00 71.86 H -ATOM 8258 N PHE C 240 62.559 55.562 93.710 1.00 39.43 N -ATOM 8259 CA PHE C 240 62.753 55.816 95.135 1.00 40.70 C -ATOM 8260 C PHE C 240 64.160 55.421 95.574 1.00 37.16 C -ATOM 8261 O PHE C 240 64.866 56.236 96.162 1.00 38.65 O -ATOM 8262 CB PHE C 240 61.697 55.089 95.963 1.00 45.73 C -ATOM 8263 CG PHE C 240 61.884 55.378 97.432 1.00 37.00 C -ATOM 8264 CD1 PHE C 240 61.441 56.603 97.956 1.00 35.75 C -ATOM 8265 CD2 PHE C 240 62.583 54.475 98.246 1.00 33.50 C -ATOM 8266 CE1 PHE C 240 61.671 56.920 99.300 1.00 36.03 C -ATOM 8267 CE2 PHE C 240 62.799 54.784 99.594 1.00 38.36 C -ATOM 8268 CZ PHE C 240 62.345 56.004 100.117 1.00 39.65 C -ATOM 8269 H PHE C 240 61.886 54.874 93.406 1.00 47.31 H -ATOM 8270 HA PHE C 240 62.644 56.884 95.322 1.00 48.84 H -ATOM 8271 HB2 PHE C 240 60.707 55.424 95.657 1.00 54.87 H -ATOM 8272 HB3 PHE C 240 61.758 54.015 95.792 1.00 54.87 H -ATOM 8273 HD1 PHE C 240 60.927 57.309 97.322 1.00 42.90 H -ATOM 8274 HD2 PHE C 240 62.966 53.552 97.838 1.00 40.20 H -ATOM 8275 HE1 PHE C 240 61.327 57.860 99.704 1.00 43.24 H -ATOM 8276 HE2 PHE C 240 63.321 54.088 100.233 1.00 46.03 H -ATOM 8277 HZ PHE C 240 62.514 56.233 101.158 1.00 47.59 H -ATOM 8278 N ALA C 241 64.626 54.236 95.180 1.00 35.80 N -ATOM 8279 CA ALA C 241 65.990 53.794 95.461 1.00 35.09 C -ATOM 8280 C ALA C 241 67.017 54.802 94.943 1.00 34.51 C -ATOM 8281 O ALA C 241 67.959 55.182 95.634 1.00 37.76 O -ATOM 8282 CB ALA C 241 66.201 52.427 94.810 1.00 43.02 C -ATOM 8283 H ALA C 241 63.997 53.604 94.706 1.00 42.96 H -ATOM 8284 HA ALA C 241 66.119 53.700 96.539 1.00 42.11 H -ATOM 8285 HB1 ALA C 241 67.131 51.991 95.171 1.00 51.63 H -ATOM 8286 HB2 ALA C 241 65.372 51.763 95.048 1.00 51.63 H -ATOM 8287 HB3 ALA C 241 66.265 52.517 93.727 1.00 51.63 H -ATOM 8288 N THR C 242 66.787 55.312 93.741 1.00 33.68 N -ATOM 8289 CA THR C 242 67.623 56.340 93.126 1.00 36.91 C -ATOM 8290 C THR C 242 67.561 57.637 93.922 1.00 37.50 C -ATOM 8291 O THR C 242 68.577 58.275 94.141 1.00 37.17 O -ATOM 8292 CB THR C 242 67.194 56.579 91.678 1.00 40.07 C -ATOM 8293 OG1 THR C 242 67.251 55.370 90.961 1.00 38.89 O -ATOM 8294 CG2 THR C 242 68.108 57.575 90.969 1.00 49.01 C -ATOM 8295 H THR C 242 66.012 54.933 93.217 1.00 40.42 H -ATOM 8296 HA THR C 242 68.659 56.001 93.116 1.00 44.30 H -ATOM 8297 HB THR C 242 66.173 56.959 91.653 1.00 48.08 H -ATOM 8298 HG1 THR C 242 66.551 54.795 91.275 1.00 46.67 H -ATOM 8299 HG21 THR C 242 67.840 57.632 89.915 1.00 58.81 H -ATOM 8300 HG22 THR C 242 67.995 58.567 91.403 1.00 58.81 H -ATOM 8301 HG23 THR C 242 69.147 57.263 91.056 1.00 58.81 H -ATOM 8302 N THR C 243 66.403 58.012 94.444 1.00 35.93 N -ATOM 8303 CA THR C 243 66.250 59.237 95.232 1.00 34.93 C -ATOM 8304 C THR C 243 67.020 59.152 96.544 1.00 36.49 C -ATOM 8305 O THR C 243 67.778 60.054 96.878 1.00 38.19 O -ATOM 8306 CB THR C 243 64.771 59.517 95.493 1.00 37.96 C -ATOM 8307 OG1 THR C 243 64.080 59.573 94.269 1.00 37.07 O -ATOM 8308 CG2 THR C 243 64.574 60.864 96.179 1.00 44.54 C -ATOM 8309 H THR C 243 65.595 57.428 94.293 1.00 43.12 H -ATOM 8310 HA THR C 243 66.659 60.074 94.667 1.00 41.92 H -ATOM 8311 HB THR C 243 64.343 58.730 96.113 1.00 45.55 H -ATOM 8312 HG1 THR C 243 64.088 58.700 93.874 1.00 44.49 H -ATOM 8313 HG21 THR C 243 63.513 61.041 96.342 1.00 53.45 H -ATOM 8314 HG22 THR C 243 65.079 60.872 97.143 1.00 53.45 H -ATOM 8315 HG23 THR C 243 64.981 61.663 95.562 1.00 53.45 H -ATOM 8316 N VAL C 244 66.920 58.031 97.259 1.00 37.43 N -ATOM 8317 CA VAL C 244 67.749 57.772 98.446 1.00 36.05 C -ATOM 8318 C VAL C 244 69.228 57.768 98.058 1.00 38.29 C -ATOM 8319 O VAL C 244 70.069 58.335 98.756 1.00 41.28 O -ATOM 8320 CB VAL C 244 67.332 56.445 99.101 1.00 38.89 C -ATOM 8321 CG1 VAL C 244 68.231 56.068 100.274 1.00 41.89 C -ATOM 8322 CG2 VAL C 244 65.900 56.525 99.630 1.00 38.20 C -ATOM 8323 H VAL C 244 66.267 57.322 96.960 1.00 44.92 H -ATOM 8324 HA VAL C 244 67.601 58.572 99.170 1.00 43.26 H -ATOM 8325 HB VAL C 244 67.384 55.649 98.360 1.00 46.67 H -ATOM 8326 HG11 VAL C 244 67.864 55.153 100.738 1.00 50.27 H -ATOM 8327 HG12 VAL C 244 69.249 55.891 99.934 1.00 50.27 H -ATOM 8328 HG13 VAL C 244 68.227 56.870 101.010 1.00 50.27 H -ATOM 8329 HG21 VAL C 244 65.626 55.581 100.098 1.00 45.83 H -ATOM 8330 HG22 VAL C 244 65.814 57.324 100.363 1.00 45.83 H -ATOM 8331 HG23 VAL C 244 65.198 56.711 98.820 1.00 45.83 H -ATOM 8332 N SER C 245 69.559 57.207 96.896 1.00 39.32 N -ATOM 8333 CA SER C 245 70.916 57.271 96.350 1.00 42.87 C -ATOM 8334 C SER C 245 71.349 58.715 96.117 1.00 43.12 C -ATOM 8335 O SER C 245 72.491 59.062 96.394 1.00 44.92 O -ATOM 8336 CB SER C 245 71.056 56.464 95.058 1.00 41.94 C -ATOM 8337 OG SER C 245 70.632 55.131 95.253 1.00 43.39 O -ATOM 8338 H SER C 245 68.836 56.749 96.361 1.00 47.19 H -ATOM 8339 HA SER C 245 71.601 56.833 97.076 1.00 51.44 H -ATOM 8340 HB2 SER C 245 70.489 56.918 94.248 1.00 50.33 H -ATOM 8341 HB3 SER C 245 72.106 56.459 94.767 1.00 50.33 H -ATOM 8342 HG SER C 245 69.689 55.118 95.426 1.00 52.07 H -ATOM 8343 N ASP C 246 70.441 59.598 95.720 1.00 37.90 N -ATOM 8344 CA ASP C 246 70.749 61.002 95.479 1.00 46.46 C -ATOM 8345 C ASP C 246 71.241 61.702 96.755 1.00 46.18 C -ATOM 8346 O ASP C 246 72.283 62.339 96.716 1.00 46.69 O -ATOM 8347 CB ASP C 246 69.531 61.719 94.867 1.00 47.69 C -ATOM 8348 CG ASP C 246 69.928 62.812 93.866 1.00 52.97 C -ATOM 8349 OD1 ASP C 246 70.825 62.578 93.036 1.00 51.07 O -ATOM 8350 OD2 ASP C 246 69.343 63.919 93.894 1.00 47.74 O -ATOM 8351 H ASP C 246 69.520 59.267 95.474 1.00 45.48 H -ATOM 8352 HA ASP C 246 71.570 61.027 94.763 1.00 55.75 H -ATOM 8353 HB2 ASP C 246 68.922 60.993 94.331 1.00 57.23 H -ATOM 8354 HB3 ASP C 246 68.918 62.143 95.661 1.00 57.23 H -ATOM 8355 N ARG C 247 70.592 61.518 97.914 1.00 44.86 N -ATOM 8356 CA ARG C 247 71.137 62.015 99.201 1.00 39.84 C -ATOM 8357 C ARG C 247 72.333 61.205 99.699 1.00 40.27 C -ATOM 8358 O ARG C 247 73.161 61.722 100.439 1.00 44.81 O -ATOM 8359 CB ARG C 247 70.042 62.095 100.280 1.00 44.57 C -ATOM 8360 CG ARG C 247 69.162 63.355 100.202 1.00 44.96 C -ATOM 8361 CD ARG C 247 69.959 64.634 100.482 1.00 39.33 C -ATOM 8362 NE ARG C 247 69.093 65.814 100.673 1.00 46.63 N -ATOM 8363 CZ ARG C 247 69.445 67.079 100.512 1.00 57.26 C -ATOM 8364 NH1 ARG C 247 68.598 68.040 100.706 1.00 55.43 N -ATOM 8365 NH2 ARG C 247 70.638 67.430 100.151 1.00 62.78 N -ATOM 8366 H ARG C 247 69.730 60.995 97.897 1.00 53.83 H -ATOM 8367 HA ARG C 247 71.541 63.014 99.039 1.00 47.81 H -ATOM 8368 HB2 ARG C 247 69.408 61.211 100.216 1.00 53.49 H -ATOM 8369 HB3 ARG C 247 70.509 62.080 101.264 1.00 53.49 H -ATOM 8370 HG2 ARG C 247 68.698 63.420 99.220 1.00 53.95 H -ATOM 8371 HG3 ARG C 247 68.377 63.259 100.950 1.00 53.95 H -ATOM 8372 HD2 ARG C 247 70.553 64.488 101.381 1.00 47.20 H -ATOM 8373 HD3 ARG C 247 70.630 64.813 99.645 1.00 47.20 H -ATOM 8374 HE ARG C 247 68.138 65.655 100.951 1.00 55.95 H -ATOM 8375 HH11 ARG C 247 67.679 67.846 101.075 1.00 66.51 H -ATOM 8376 HH12 ARG C 247 68.876 68.995 100.547 1.00 66.51 H -ATOM 8377 HH21 ARG C 247 71.358 66.728 100.083 1.00 75.33 H -ATOM 8378 HH22 ARG C 247 70.865 68.406 100.038 1.00 75.33 H -ATOM 8379 N SER C 248 72.503 59.974 99.236 1.00 39.27 N -ATOM 8380 CA SER C 248 73.722 59.211 99.513 1.00 45.88 C -ATOM 8381 C SER C 248 74.945 59.787 98.795 1.00 46.60 C -ATOM 8382 O SER C 248 76.042 59.741 99.343 1.00 51.17 O -ATOM 8383 CB SER C 248 73.554 57.736 99.152 1.00 48.05 C -ATOM 8384 OG SER C 248 72.404 57.200 99.781 1.00 47.83 O -ATOM 8385 H SER C 248 71.803 59.600 98.613 1.00 47.12 H -ATOM 8386 HA SER C 248 73.924 59.259 100.582 1.00 55.06 H -ATOM 8387 HB2 SER C 248 73.486 57.612 98.072 1.00 57.66 H -ATOM 8388 HB3 SER C 248 74.431 57.188 99.495 1.00 57.66 H -ATOM 8389 HG SER C 248 71.623 57.685 99.506 1.00 57.40 H -ATOM 8390 N ARG C 249 74.794 60.395 97.613 1.00 43.57 N -ATOM 8391 CA ARG C 249 75.930 60.986 96.890 1.00 45.06 C -ATOM 8392 C ARG C 249 76.656 62.066 97.711 1.00 48.90 C -ATOM 8393 O ARG C 249 77.845 61.882 97.955 1.00 54.52 O -ATOM 8394 CB ARG C 249 75.519 61.461 95.489 1.00 44.10 C -ATOM 8395 CG ARG C 249 75.281 60.287 94.530 1.00 48.26 C -ATOM 8396 CD ARG C 249 75.034 60.775 93.098 1.00 43.42 C -ATOM 8397 NE ARG C 249 76.261 61.318 92.485 1.00 32.99 N -ATOM 8398 CZ ARG C 249 76.370 61.919 91.318 1.00 32.97 C -ATOM 8399 NH1 ARG C 249 77.533 62.300 90.883 1.00 43.15 N -ATOM 8400 NH2 ARG C 249 75.343 62.149 90.556 1.00 29.56 N -ATOM 8401 H ARG C 249 73.882 60.393 97.181 1.00 52.29 H -ATOM 8402 HA ARG C 249 76.675 60.203 96.749 1.00 54.07 H -ATOM 8403 HB2 ARG C 249 74.606 62.054 95.530 1.00 52.93 H -ATOM 8404 HB3 ARG C 249 76.319 62.084 95.091 1.00 52.93 H -ATOM 8405 HG2 ARG C 249 76.141 59.619 94.538 1.00 57.91 H -ATOM 8406 HG3 ARG C 249 74.409 59.725 94.861 1.00 57.91 H -ATOM 8407 HD2 ARG C 249 74.686 59.930 92.505 1.00 52.10 H -ATOM 8408 HD3 ARG C 249 74.251 61.532 93.113 1.00 52.10 H -ATOM 8409 HE ARG C 249 77.126 61.176 92.983 1.00 39.58 H -ATOM 8410 HH11 ARG C 249 78.358 62.133 91.438 1.00 51.78 H -ATOM 8411 HH12 ARG C 249 77.614 62.758 89.988 1.00 51.78 H -ATOM 8412 HH21 ARG C 249 74.436 61.820 90.849 1.00 35.47 H -ATOM 8413 HH22 ARG C 249 75.471 62.562 89.645 1.00 35.47 H -ATOM 8414 N PRO C 250 75.988 63.092 98.274 1.00 52.74 N -ATOM 8415 CA PRO C 250 76.611 64.029 99.204 1.00 51.09 C -ATOM 8416 C PRO C 250 77.328 63.358 100.363 1.00 52.14 C -ATOM 8417 O PRO C 250 78.390 63.820 100.758 1.00 60.13 O -ATOM 8418 CB PRO C 250 75.479 64.916 99.719 1.00 50.19 C -ATOM 8419 CG PRO C 250 74.536 64.961 98.526 1.00 51.16 C -ATOM 8420 CD PRO C 250 74.657 63.559 97.945 1.00 47.11 C -ATOM 8421 HA PRO C 250 77.324 64.647 98.658 1.00 61.30 H -ATOM 8422 HB2 PRO C 250 74.975 64.444 100.561 1.00 60.23 H -ATOM 8423 HB3 PRO C 250 75.834 65.908 99.995 1.00 60.23 H -ATOM 8424 HG2 PRO C 250 73.514 65.189 98.825 1.00 61.40 H -ATOM 8425 HG3 PRO C 250 74.895 65.689 97.800 1.00 61.40 H -ATOM 8426 HD2 PRO C 250 73.923 62.904 98.413 1.00 56.54 H -ATOM 8427 HD3 PRO C 250 74.503 63.619 96.869 1.00 56.54 H -ATOM 8428 N LEU C 251 76.808 62.247 100.888 1.00 53.80 N -ATOM 8429 CA LEU C 251 77.508 61.512 101.936 1.00 57.97 C -ATOM 8430 C LEU C 251 78.799 60.900 101.414 1.00 58.94 C -ATOM 8431 O LEU C 251 79.820 61.075 102.062 1.00 66.55 O -ATOM 8432 CB LEU C 251 76.611 60.454 102.582 1.00 57.65 C -ATOM 8433 CG LEU C 251 75.435 61.047 103.364 1.00 58.87 C -ATOM 8434 CD1 LEU C 251 74.500 59.931 103.799 1.00 57.11 C -ATOM 8435 CD2 LEU C 251 75.891 61.761 104.634 1.00 60.97 C -ATOM 8436 H LEU C 251 75.944 61.880 100.519 1.00 64.56 H -ATOM 8437 HA LEU C 251 77.811 62.221 102.706 1.00 69.56 H -ATOM 8438 HB2 LEU C 251 76.230 59.789 101.809 1.00 69.18 H -ATOM 8439 HB3 LEU C 251 77.216 59.862 103.268 1.00 69.18 H -ATOM 8440 HG LEU C 251 74.881 61.742 102.736 1.00 70.64 H -ATOM 8441 HD11 LEU C 251 73.622 60.385 104.255 1.00 68.53 H -ATOM 8442 HD12 LEU C 251 74.175 59.350 102.939 1.00 68.53 H -ATOM 8443 HD13 LEU C 251 74.989 59.279 104.520 1.00 68.53 H -ATOM 8444 HD21 LEU C 251 75.026 62.112 105.194 1.00 73.16 H -ATOM 8445 HD22 LEU C 251 76.455 61.072 105.260 1.00 73.16 H -ATOM 8446 HD23 LEU C 251 76.506 62.624 104.386 1.00 73.16 H -ATOM 8447 N ASN C 252 78.811 60.274 100.240 1.00 52.22 N -ATOM 8448 CA ASN C 252 80.074 59.849 99.640 1.00 56.71 C -ATOM 8449 C ASN C 252 81.013 61.041 99.434 1.00 60.54 C -ATOM 8450 O ASN C 252 82.192 60.940 99.741 1.00 66.65 O -ATOM 8451 CB ASN C 252 79.822 59.102 98.322 1.00 56.10 C -ATOM 8452 CG ASN C 252 79.552 57.625 98.520 1.00 61.88 C -ATOM 8453 OD1 ASN C 252 79.356 57.128 99.617 1.00 62.80 O -ATOM 8454 ND2 ASN C 252 79.571 56.857 97.459 1.00 64.29 N -ATOM 8455 H ASN C 252 77.950 60.172 99.724 1.00 62.66 H -ATOM 8456 HA ASN C 252 80.585 59.179 100.330 1.00 68.05 H -ATOM 8457 HB2 ASN C 252 78.993 59.547 97.774 1.00 67.31 H -ATOM 8458 HB3 ASN C 252 80.711 59.181 97.700 1.00 67.31 H -ATOM 8459 HD21 ASN C 252 79.418 55.868 97.579 1.00 77.15 H -ATOM 8460 HD22 ASN C 252 79.753 57.250 96.548 1.00 77.15 H -ATOM 8461 N ASP C 253 80.507 62.188 98.988 1.00 65.19 N -ATOM 8462 CA ASP C 253 81.331 63.376 98.751 1.00 65.77 C -ATOM 8463 C ASP C 253 81.976 63.887 100.047 1.00 64.52 C -ATOM 8464 O ASP C 253 83.192 64.064 100.130 1.00 59.86 O -ATOM 8465 CB ASP C 253 80.494 64.480 98.083 1.00 64.71 C -ATOM 8466 CG ASP C 253 79.796 64.065 96.779 1.00 64.46 C -ATOM 8467 OD1 ASP C 253 80.238 63.113 96.100 1.00 64.39 O -ATOM 8468 OD2 ASP C 253 78.829 64.755 96.397 1.00 56.68 O -ATOM 8469 H ASP C 253 79.535 62.205 98.717 1.00 78.23 H -ATOM 8470 HA ASP C 253 82.138 63.108 98.069 1.00 78.92 H -ATOM 8471 HB2 ASP C 253 79.744 64.835 98.788 1.00 77.65 H -ATOM 8472 HB3 ASP C 253 81.155 65.318 97.867 1.00 77.65 H -ATOM 8473 N LYS C 254 81.162 64.061 101.090 1.00 63.74 N -ATOM 8474 CA LYS C 254 81.619 64.467 102.420 1.00 80.10 C -ATOM 8475 C LYS C 254 82.558 63.432 103.010 1.00 72.83 C -ATOM 8476 O LYS C 254 83.604 63.802 103.527 1.00 74.26 O -ATOM 8477 CB LYS C 254 80.423 64.727 103.352 1.00 74.06 C -ATOM 8478 CG LYS C 254 79.751 66.064 103.009 1.00 75.43 C -ATOM 8479 CD LYS C 254 78.704 66.474 104.052 1.00 70.49 C -ATOM 8480 CE LYS C 254 78.175 67.867 103.691 1.00 72.17 C -ATOM 8481 NZ LYS C 254 77.321 68.448 104.760 1.00 73.22 N -ATOM 8482 H LYS C 254 80.177 63.897 100.947 1.00 76.49 H -ATOM 8483 HA LYS C 254 82.202 65.382 102.330 1.00 96.12 H -ATOM 8484 HB2 LYS C 254 79.702 63.913 103.284 1.00 88.88 H -ATOM 8485 HB3 LYS C 254 80.787 64.780 104.377 1.00 88.88 H -ATOM 8486 HG2 LYS C 254 80.518 66.837 102.972 1.00 90.52 H -ATOM 8487 HG3 LYS C 254 79.284 65.999 102.028 1.00 90.52 H -ATOM 8488 HD2 LYS C 254 77.890 65.750 104.058 1.00 84.58 H -ATOM 8489 HD3 LYS C 254 79.171 66.502 105.035 1.00 84.58 H -ATOM 8490 HE2 LYS C 254 79.027 68.522 103.512 1.00 86.61 H -ATOM 8491 HE3 LYS C 254 77.619 67.796 102.758 1.00 86.61 H -ATOM 8492 HZ1 LYS C 254 76.977 69.354 104.483 1.00 87.87 H -ATOM 8493 HZ2 LYS C 254 76.521 67.868 104.962 1.00 87.87 H -ATOM 8494 HZ3 LYS C 254 77.844 68.581 105.612 1.00 87.87 H -ATOM 8495 N VAL C 255 82.247 62.146 102.888 1.00 69.21 N -ATOM 8496 CA VAL C 255 83.157 61.081 103.309 1.00 72.93 C -ATOM 8497 C VAL C 255 84.474 61.218 102.560 1.00 73.67 C -ATOM 8498 O VAL C 255 85.513 61.240 103.202 1.00 73.89 O -ATOM 8499 CB VAL C 255 82.537 59.682 103.125 1.00 76.54 C -ATOM 8500 CG1 VAL C 255 83.571 58.553 103.228 1.00 82.66 C -ATOM 8501 CG2 VAL C 255 81.502 59.422 104.225 1.00 75.79 C -ATOM 8502 H VAL C 255 81.375 61.899 102.444 1.00 83.05 H -ATOM 8503 HA VAL C 255 83.380 61.214 104.367 1.00 87.51 H -ATOM 8504 HB VAL C 255 82.059 59.615 102.149 1.00 91.85 H -ATOM 8505 HG11 VAL C 255 83.072 57.588 103.171 1.00 99.19 H -ATOM 8506 HG12 VAL C 255 84.279 58.604 102.402 1.00 99.19 H -ATOM 8507 HG13 VAL C 255 84.104 58.618 104.174 1.00 99.19 H -ATOM 8508 HG21 VAL C 255 81.060 58.437 104.079 1.00 90.95 H -ATOM 8509 HG22 VAL C 255 81.976 59.451 105.206 1.00 90.95 H -ATOM 8510 HG23 VAL C 255 80.708 60.166 104.189 1.00 90.95 H -ATOM 8511 N ASN C 256 84.471 61.385 101.242 1.00 69.29 N -ATOM 8512 CA ASN C 256 85.695 61.489 100.458 1.00 77.28 C -ATOM 8513 C ASN C 256 86.567 62.653 100.923 1.00 73.69 C -ATOM 8514 O ASN C 256 87.743 62.464 101.227 1.00 79.95 O -ATOM 8515 CB ASN C 256 85.343 61.615 98.967 1.00 74.11 C -ATOM 8516 CG ASN C 256 84.905 60.306 98.349 1.00 74.75 C -ATOM 8517 OD1 ASN C 256 84.733 59.289 99.004 1.00 78.17 O -ATOM 8518 ND2 ASN C 256 84.773 60.280 97.046 1.00 75.99 N -ATOM 8519 H ASN C 256 83.591 61.367 100.749 1.00 83.15 H -ATOM 8520 HA ASN C 256 86.282 60.582 100.600 1.00 92.73 H -ATOM 8521 HB2 ASN C 256 84.562 62.359 98.814 1.00 88.94 H -ATOM 8522 HB3 ASN C 256 86.229 61.950 98.429 1.00 88.94 H -ATOM 8523 HD21 ASN C 256 84.520 59.409 96.605 1.00 91.19 H -ATOM 8524 HD22 ASN C 256 84.943 61.108 96.496 1.00 91.19 H -ATOM 8525 N GLU C 257 86.010 63.852 101.033 1.00 72.48 N -ATOM 8526 CA GLU C 257 86.785 65.003 101.489 1.00 82.94 C -ATOM 8527 C GLU C 257 87.222 64.844 102.942 1.00 78.86 C -ATOM 8528 O GLU C 257 88.409 64.929 103.238 1.00 75.90 O -ATOM 8529 CB GLU C 257 85.975 66.288 101.280 1.00 82.94 C -ATOM 8530 CG GLU C 257 85.806 66.623 99.791 1.00 81.73 C -ATOM 8531 CD GLU C 257 87.151 66.737 99.058 1.00 72.20 C -ATOM 8532 OE1 GLU C 257 88.070 67.409 99.572 1.00 66.79 O -ATOM 8533 OE2 GLU C 257 87.301 66.141 97.971 1.00 66.73 O -ATOM 8534 H GLU C 257 85.043 63.974 100.770 1.00 86.97 H -ATOM 8535 HA GLU C 257 87.705 65.066 100.909 1.00 99.53 H -ATOM 8536 HB2 GLU C 257 84.992 66.176 101.737 1.00 99.53 H -ATOM 8537 HB3 GLU C 257 86.484 67.113 101.775 1.00 99.53 H -ATOM 8538 HG2 GLU C 257 85.191 65.855 99.324 1.00 98.08 H -ATOM 8539 HG3 GLU C 257 85.269 67.566 99.709 1.00 98.08 H -ATOM 8540 N LYS C 258 86.309 64.526 103.860 1.00 74.78 N -ATOM 8541 CA LYS C 258 86.664 64.410 105.273 1.00 85.50 C -ATOM 8542 C LYS C 258 87.685 63.295 105.484 1.00 82.15 C -ATOM 8543 O LYS C 258 88.685 63.512 106.155 1.00 79.77 O -ATOM 8544 CB LYS C 258 85.406 64.249 106.139 1.00 80.83 C -ATOM 8545 CG LYS C 258 84.576 65.549 106.156 1.00 79.93 C -ATOM 8546 CD LYS C 258 83.375 65.438 107.108 1.00 87.40 C -ATOM 8547 CE LYS C 258 82.472 66.684 107.124 1.00 86.08 C -ATOM 8548 NZ LYS C 258 82.983 67.783 107.989 1.00 87.79 N -ATOM 8549 H LYS C 258 85.348 64.398 103.581 1.00 89.74 H -ATOM 8550 HA LYS C 258 87.166 65.327 105.581 1.00102.60 H -ATOM 8551 HB2 LYS C 258 84.803 63.419 105.772 1.00 97.00 H -ATOM 8552 HB3 LYS C 258 85.714 64.019 107.159 1.00 97.00 H -ATOM 8553 HG2 LYS C 258 85.210 66.380 106.461 1.00 95.91 H -ATOM 8554 HG3 LYS C 258 84.210 65.759 105.152 1.00 95.91 H -ATOM 8555 HD2 LYS C 258 82.779 64.595 106.761 1.00104.88 H -ATOM 8556 HD3 LYS C 258 83.711 65.208 108.119 1.00104.88 H -ATOM 8557 HE2 LYS C 258 82.356 67.035 106.099 1.00103.30 H -ATOM 8558 HE3 LYS C 258 81.486 66.386 107.476 1.00103.30 H -ATOM 8559 HZ1 LYS C 258 82.388 68.594 107.914 1.00105.35 H -ATOM 8560 HZ2 LYS C 258 82.990 67.539 108.967 1.00105.35 H -ATOM 8561 HZ3 LYS C 258 83.910 68.078 107.718 1.00105.35 H -ATOM 8562 N THR C 259 87.530 62.140 104.844 1.00 77.77 N -ATOM 8563 CA THR C 259 88.551 61.082 104.902 1.00 81.47 C -ATOM 8564 C THR C 259 89.862 61.540 104.284 1.00 81.61 C -ATOM 8565 O THR C 259 90.909 61.220 104.826 1.00 85.12 O -ATOM 8566 CB THR C 259 88.132 59.770 104.235 1.00 81.38 C -ATOM 8567 OG1 THR C 259 87.786 59.970 102.893 1.00 78.69 O -ATOM 8568 CG2 THR C 259 86.976 59.088 104.963 1.00 88.20 C -ATOM 8569 H THR C 259 86.721 62.022 104.251 1.00 93.33 H -ATOM 8570 HA THR C 259 88.755 60.853 105.947 1.00 97.77 H -ATOM 8571 HB THR C 259 88.985 59.092 104.258 1.00 97.65 H -ATOM 8572 HG1 THR C 259 86.964 60.465 102.902 1.00 94.43 H -ATOM 8573 HG21 THR C 259 86.632 58.232 104.385 1.00105.84 H -ATOM 8574 HG22 THR C 259 87.325 58.732 105.931 1.00105.84 H -ATOM 8575 HG23 THR C 259 86.148 59.774 105.129 1.00105.84 H -ATOM 8576 N THR C 260 89.849 62.342 103.220 1.00 76.69 N -ATOM 8577 CA THR C 260 91.077 62.923 102.671 1.00 79.33 C -ATOM 8578 C THR C 260 91.756 63.818 103.694 1.00 85.23 C -ATOM 8579 O THR C 260 92.930 63.629 103.984 1.00 80.99 O -ATOM 8580 CB THR C 260 90.812 63.725 101.397 1.00 73.84 C -ATOM 8581 OG1 THR C 260 90.246 62.884 100.427 1.00 75.37 O -ATOM 8582 CG2 THR C 260 92.092 64.317 100.820 1.00 76.47 C -ATOM 8583 H THR C 260 88.966 62.578 102.792 1.00 92.03 H -ATOM 8584 HA THR C 260 91.766 62.116 102.425 1.00 95.19 H -ATOM 8585 HB THR C 260 90.117 64.539 101.601 1.00 88.61 H -ATOM 8586 HG1 THR C 260 89.355 62.688 100.723 1.00 90.45 H -ATOM 8587 HG21 THR C 260 91.892 64.731 99.834 1.00 91.76 H -ATOM 8588 HG22 THR C 260 92.455 65.118 101.460 1.00 91.76 H -ATOM 8589 HG23 THR C 260 92.857 63.548 100.735 1.00 91.76 H -ATOM 8590 N LEU C 261 91.028 64.744 104.309 1.00 78.22 N -ATOM 8591 CA LEU C 261 91.578 65.613 105.348 1.00 87.54 C -ATOM 8592 C LEU C 261 92.114 64.793 106.534 1.00 87.62 C -ATOM 8593 O LEU C 261 93.220 65.011 107.028 1.00 88.13 O -ATOM 8594 CB LEU C 261 90.484 66.593 105.800 1.00 86.31 C -ATOM 8595 CG LEU C 261 89.947 67.523 104.695 1.00 93.89 C -ATOM 8596 CD1 LEU C 261 88.757 68.314 105.226 1.00 93.67 C -ATOM 8597 CD2 LEU C 261 91.008 68.495 104.194 1.00 99.90 C -ATOM 8598 H LEU C 261 90.054 64.838 104.059 1.00 93.86 H -ATOM 8599 HA LEU C 261 92.416 66.175 104.936 1.00105.05 H -ATOM 8600 HB2 LEU C 261 89.652 66.015 106.201 1.00103.57 H -ATOM 8601 HB3 LEU C 261 90.880 67.204 106.610 1.00103.57 H -ATOM 8602 HG LEU C 261 89.612 66.938 103.841 1.00112.67 H -ATOM 8603 HD11 LEU C 261 88.357 68.947 104.435 1.00112.41 H -ATOM 8604 HD12 LEU C 261 87.974 67.631 105.551 1.00112.41 H -ATOM 8605 HD13 LEU C 261 89.065 68.937 106.063 1.00112.41 H -ATOM 8606 HD21 LEU C 261 90.569 69.166 103.457 1.00119.89 H -ATOM 8607 HD22 LEU C 261 91.398 69.082 105.023 1.00119.89 H -ATOM 8608 HD23 LEU C 261 91.822 67.949 103.720 1.00119.89 H -ATOM 8609 N LEU C 262 91.376 63.769 106.948 1.00 83.67 N -ATOM 8610 CA LEU C 262 91.825 62.840 107.967 1.00 87.30 C -ATOM 8611 C LEU C 262 93.097 62.113 107.539 1.00 84.98 C -ATOM 8612 O LEU C 262 94.023 62.008 108.329 1.00 86.65 O -ATOM 8613 CB LEU C 262 90.693 61.867 108.291 1.00 81.20 C -ATOM 8614 CG LEU C 262 89.550 62.542 109.064 1.00 88.89 C -ATOM 8615 CD1 LEU C 262 88.331 61.630 109.069 1.00 97.62 C -ATOM 8616 CD2 LEU C 262 89.957 62.833 110.506 1.00 98.85 C -ATOM 8617 H LEU C 262 90.474 63.620 106.520 1.00100.40 H -ATOM 8618 HA LEU C 262 92.075 63.405 108.864 1.00104.76 H -ATOM 8619 HB2 LEU C 262 90.316 61.448 107.359 1.00 97.44 H -ATOM 8620 HB3 LEU C 262 91.087 61.045 108.888 1.00 97.44 H -ATOM 8621 HG LEU C 262 89.272 63.484 108.592 1.00106.66 H -ATOM 8622 HD11 LEU C 262 87.532 62.081 109.652 1.00117.14 H -ATOM 8623 HD12 LEU C 262 87.977 61.492 108.051 1.00117.14 H -ATOM 8624 HD13 LEU C 262 88.590 60.665 109.496 1.00117.14 H -ATOM 8625 HD21 LEU C 262 89.100 63.192 111.073 1.00118.62 H -ATOM 8626 HD22 LEU C 262 90.339 61.928 110.975 1.00118.62 H -ATOM 8627 HD23 LEU C 262 90.732 63.598 110.532 1.00118.62 H -ATOM 8628 N ASN C 263 93.218 61.702 106.284 1.00 84.52 N -ATOM 8629 CA ASN C 263 94.442 61.114 105.756 1.00 84.70 C -ATOM 8630 C ASN C 263 95.554 62.143 105.503 1.00 92.50 C -ATOM 8631 O ASN C 263 96.675 61.756 105.191 1.00 95.01 O -ATOM 8632 CB ASN C 263 94.114 60.268 104.522 1.00 84.16 C -ATOM 8633 CG ASN C 263 93.341 59.011 104.872 1.00 86.29 C -ATOM 8634 OD1 ASN C 263 93.328 58.536 105.999 1.00 85.68 O -ATOM 8635 ND2 ASN C 263 92.681 58.417 103.909 1.00 90.83 N -ATOM 8636 H ASN C 263 92.440 61.831 105.654 1.00101.43 H -ATOM 8637 HA ASN C 263 94.850 60.445 106.512 1.00101.64 H -ATOM 8638 HB2 ASN C 263 93.541 60.865 103.814 1.00100.99 H -ATOM 8639 HB3 ASN C 263 95.037 59.957 104.035 1.00100.99 H -ATOM 8640 HD21 ASN C 263 92.194 57.559 104.120 1.00109.00 H -ATOM 8641 HD22 ASN C 263 92.714 58.781 102.970 1.00109.00 H -ATOM 8642 N ASP C 264 95.299 63.431 105.716 1.00 86.88 N -ATOM 8643 CA ASP C 264 96.322 64.469 105.865 1.00 85.28 C -ATOM 8644 C ASP C 264 96.636 64.784 107.341 1.00 96.20 C -ATOM 8645 O ASP C 264 97.510 65.597 107.642 1.00101.16 O -ATOM 8646 CB ASP C 264 95.921 65.716 105.071 1.00 88.16 C -ATOM 8647 CG ASP C 264 96.091 65.561 103.553 1.00 84.92 C -ATOM 8648 OD1 ASP C 264 96.531 64.500 103.060 1.00 87.74 O -ATOM 8649 OD2 ASP C 264 95.843 66.556 102.838 1.00 92.33 O -ATOM 8650 H ASP C 264 94.347 63.693 105.926 1.00104.25 H -ATOM 8651 HA ASP C 264 97.262 64.109 105.448 1.00102.34 H -ATOM 8652 HB2 ASP C 264 94.888 65.977 105.297 1.00105.80 H -ATOM 8653 HB3 ASP C 264 96.546 66.550 105.389 1.00105.80 H -ATOM 8654 N THR C 265 95.950 64.124 108.274 1.00 89.41 N -ATOM 8655 CA THR C 265 96.240 64.150 109.719 1.00 96.09 C -ATOM 8656 C THR C 265 97.310 63.134 110.089 1.00 96.19 C -ATOM 8657 O THR C 265 98.247 63.505 110.821 1.00 97.00 O -ATOM 8658 CB THR C 265 94.981 63.867 110.532 1.00 97.61 C -ATOM 8659 OG1 THR C 265 93.930 64.542 109.903 1.00 98.65 O -ATOM 8660 CG2 THR C 265 95.072 64.350 111.975 1.00102.40 C -ATOM 8661 H THR C 265 95.232 63.488 107.959 1.00107.29 H -ATOM 8662 HA THR C 265 96.607 65.139 109.992 1.00115.30 H -ATOM 8663 HB THR C 265 94.757 62.801 110.521 1.00117.14 H -ATOM 8664 HG1 THR C 265 93.993 64.243 108.994 1.00118.38 H -ATOM 8665 HG21 THR C 265 94.138 64.131 112.490 1.00122.88 H -ATOM 8666 HG22 THR C 265 95.882 63.834 112.487 1.00122.88 H -ATOM 8667 HG23 THR C 265 95.255 65.423 112.001 1.00122.88 H -TER 8668 THR C 265 -MASTER 770 0 0 14 42 0 0 6 4379 3 0 89 -END diff --git a/tests/structure/data/alphabet/README.rst b/tests/structure/data/alphabet/README.rst new file mode 100644 index 000000000..957108467 --- /dev/null +++ b/tests/structure/data/alphabet/README.rst @@ -0,0 +1,18 @@ +Structural alphabet sequences +============================== + +This directory contains structural alphabet sequences for the test structure files +from the `tests/structure/data/` directory, generated with the respective reference +implementation. + +3Di sequences +------------- + +The 3Di sequences in `i3d.fasta` were generated with `foldseek` according to +`these instructions `_: + +.. code-block:: console + + $ foldseek createdb --chain-name-mode 1 tests/structure/data/*.cif /tmp/biotite_3di + $ foldseek lndb /tmp/biotite_3di_h /tmp/biotite_3di_ss_h + $ foldseek convert2fasta /tmp/biotite_3di_ss tests/structure/data/alphabet/i3d.fasta \ No newline at end of file diff --git a/tests/structure/data/alphabet/i3d.fasta b/tests/structure/data/alphabet/i3d.fasta new file mode 100644 index 000000000..a931e9059 --- /dev/null +++ b/tests/structure/data/alphabet/i3d.fasta @@ -0,0 +1,216 @@ +>1aki_A THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE LYSOZYME AT 1.5 ANGSTROMS RESOLUTION +DADDLQRVLVLCVVLPPACQVHDHSLLVSQQLCQPPVRAQADWDADPQQWIQGGSNRHIQQEDAPQPRGDNGNNPVVYHSVVSSDPRCPSVVSRVSVVCVPPVHVVVRVSSVVPPPPDPSVVSCPPHDD +>1crr_MODEL_21_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEAAEDFDQPQCVVLLVVCVAVNDRDPPPCLPDFDWDWHWDCLVHDRYTYTYGDHHPPDDDDDVNLVCLLPGFFYLQEYEQAVCVRVVVSVPVQVSSCVNVVHLDTQHAYEYEPPPDHPRNDDVVVVVVVVVVSVYHYWYYYSVPRPGSCVRVSSRVVSVVVD +>1crr_MODEL_22_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEALEEWDAQLCLVQLLVCVPVVDGDNCPPQADFDWRKDWDAAPNRIYIYGYGNGGDHPDDDPVSLVVLVVHFQYAQEYAQLVCVRVVVSQVVQVSSCVNVVHLQTLYAYEYEPPPDDRGPHPVVVCVVRCVVSPHYYWYYYSNPRPGSCVRVRSRVVSVVVD +>1crr_MODEL_23_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEALEAFDDPQCLVLLQVCVAVVDGDPDDALLDADWDWHWDQQDPGIYTYGYHDHGDHPPDDDVSLVVLQVGFFYELEAAQLPCVRVVVVQVVQPSSCVSVVHLDTLYAYEYENPPDDNGNNPPPPVCVRCVVSVHHYWYAYSNPRPGSCCRVSSRVVSVVPD +>1crr_MODEL_24_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEAEEDWAQFLCLVLLLVCVPVVDGDGCPDQADFDWRWHWDAAPHDIYIYTYGDGHDHDDDDVVSLVCLQVHFFYQLRAAQQPVVRVVRVVVVQVSSCVSVVHLQTQYEDEHEPPPDDDGNHDPPVQCCVQVVSVHHYWYAYSPPRRGSVCRVNVRVVSVVPD +>1crr_MODEL_25_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEAQEAWDLPQCRVLLLVCVAVNDRDPCPPLPDFDWRWDWDCLPPNIYIYGYGDGRDDDPDDPPSLVVLQVHQFYAQEAAQAPCVRVVVVVVVQPSSCVSVVHLDTQYEYEYEPPPDDRGRRDVVNVCVVVVVSPYHYWYYYSVPRRGSCCRVSVRCVSVVVD +>1crr_MODEL_26_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEQLEAFDPPLCLPLLQCCQPVNDRDPPPDAQDADWHWDWDAQPNPIYIYIYGSGGDDDDPDDVSLVCLQPHFNYAHEAAFAPCVRVVVVQVVQVSSCVSVVHQQTLHAYEYENPPDDDGNDDPVRVCVVCVVSVHYYWYAYSVPRRGSCVRVNSRVVSVVPD +>1crr_MODEL_27_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEEQEDWDQPLCLVQLVVCVPVPAGDPDPDQADADFDKDWDALDPRIYIYRYGSGGPHDDPPCVSLVCLQVHFFYAYEAEQLPVVRVVVCLPVVVCSCVSVVHLDTLYAHEYENPPDPDGNRDPPVVCCRQVVSPHHYFYAYSNVRHGSSVRVSSRCVSVVVD +>1crr_MODEL_28_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEAEEAWAAPLCPVLLVVCVPVVDRDDPDQLQDADWDWDFDPLVDDTYIYTYGDHRHDCPPPDVSLLSLQVHQQYALEAAQAPVVRVVRVVVVQPSSCVRVVHRDGQHAYEHEPPPDDDGPHDPVVQCCVQVVSVHYYYYAYSPPRRGSSVRVSVRVVSVVPD +>1crr_MODEL_29_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEALEEFAQPQCLVLLLCCVPVNDRDDRVQLQDFDKDWDWDQQPNPIYIYIYGNGRHDPDDDCVSLVCLQVHFNYALEAAQVDCVRVVVSVVVQVSSCVNVVHLDTQYEYEHENPPDDPGPRDPVNVCVPCVVSVYYYFYYYSVPRHGSCVRVNSSVVSVVVD +>1crr_MODEL_30_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEALEAWDQPQCPVLLQVCVPVVAGDPCPPLVDFDWGWDWDPQVDDIYTYTYGDDHDDPPDPVVSLVVLQGGFNYALEAAQQDVVRVVRVVVVQVSSCVSVVHLDTQYEYEYEDPVDDDGPHDPVRQCCVQVVSVHHYFYAYSNHTPRSCVRVNSRVVVVVVD +>1crr_MODEL_31_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEALEEFDLPLCQVLLLVCVAPNDRDPCDPQANWDWDWHWDPLPPDIYTYTYGYDGHDDDDDDVSLVVLQVGFQYEQEYAQLVCVRVVVCVPVVVSSCVNVVDLQTLYAYEHEDPPDDRGDHPVPVSCVVQVVSVHHYFYAYRNVGGRSSVRVSSRVVSVVPD +>1crr_MODEL_32_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEQLEAWDQPQCLVQLQVCQPVNDGDPPPPLQDFDWGKDWDDQPPDIYIYTYGDDHDDPPPRVVSLVCLQVGFNYAYEAEQVPCVRVVVVVCVQPSSCVNVVHQDTQHAYEYENCPDDHGNDDPVNVCVVCVVSVHYYFYYYSVVRHRSSVRVNSSCVSVVVD +>1crr_MODEL_33_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEQLEAFDQPQQPVLLLVCLVPNAGDPPPDLPDFDWDKDWDCLDNRIHIYTYGDGRQPPDDDDVSLVRLQGGFLYALRAAQAPVVRVVRVQCVQPSSCVNVVHLQTLYADEHEPPPDPDGPHPVVVVCVVQVVSPHYYYYYYRRPRRRSSVRVNSRVVSVVVD +>1crr_MODEL_34_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEEQEAWDPQLCLVQLQVCVVPNAGDNPPPLQDFDFGWDQDAFPNHTYTYGYGSGHDHDPDDPPSLQVLQVGFFYAQEAEFAPRVRVVRCVVRQPSSCVNVVHLDTQHAYEHENPPDDHGNDPVVVSCVVVVVSPYHYYYYYSHPRRCSCVRVRSRVVSVVVD +>1crr_MODEL_35_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEFEAAEAFDDPLQPPLLQVCQAPNARDPCPDLPDAFWGWHWDAQVNRIYTYTYGDGRDCPDDNVDNLVCLLGGFLYALRAEQQDVVRVVRVQCVQVSSCVSVVHNQGLYAYEHEPPPDPDGPHPVVNSVVRCVVSPHHYYYAYNNVGRRSCVSVNSSVVSVVVD +>1crr_MODEL_36_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEALEDFDLPQCLVQLLVCVVVVAGDDDDPQQDFDWRWDWDDQPPHTYIYTYGNGGDNPDDDDVSLVVLQVHFNYALEAAQQDVVRVVVVVVVQVSSCVSVVHLDTQYAYEHENPPDDPGNHDPVVVCVVCVVSVHYYFYYYSNPRGRSSVRVNSRVVSVVVD +>1crr_MODEL_37_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEALEAFDQPLCPVQLQVCVVVNDGDDDDQLQDADWGWDFDDQDPDTHIYTYGDGRDDPPPPDVSLVVLQVHQNYAHEAEFAPCVRVVVVLCVLVSSCVSVVPLQGLYAYEHEPPVDPDGNDDPVNVVVVCVVSPHDYFYAYSVHRPRSSVRVNVSVVSVVVD +>1crr_MODEL_38_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEALEAFDAPLCPPLLQVCVPVNDRDPPPPQPDFDWGKDWDALPPHIYIYTYGDGGDDPDDCVVSLVVLQVHFFYAHEAAQLDVVRVVRVVVVQVSSCVSVVHLQTLYEHEYENPPDDNGNHDPPVQCVVCVVSVHHYFYYYSVVRHGSNCRVSVRVVSVVVD +>1crr_MODEL_39_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DAEAEQLEAFDQPQCPVQLVVCLVPNAGDPDPPLPDFDWDKDFDQQVNRTYIYTYGDHRDDDPDDPPSLQVLQVGFQYAHEAAQVPVVRVVVVVVVLVVSCVNVVHLDGLYAYEHEPPPDDDGNRPVVVVCVVCVVSVHYYWYAYSNHRPGSCVRVSSRVVSVVVD +>1crr_MODEL_40_A THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR SPECTROSCOPY +DEEAEALEEFDAPLCVVQLVVCQPVNDRDPDDDLVDFDWAWHWDAQPPHIYIYIYGDHRDDDDDDDVSLVCLQVGFQYALEAAQAPCVSVVVSVVVLVSSCVNVVHLQTLYAYEHEPCPDPHGNCPPVNCCVSAVVSPHHYYYYYSVVRPCSCVRVNSRVVSVVVD +>1dix_A CRYSTAL STRUCTURE OF RNASE LE +DDDPQLAWWKKWKWWFVLQVDQAPDHWAFAVVDRADRFIATQAIAGHHLVQHGAWQQPPPPFDDCVVVVVCVVVCQHHHGGRHPPHYNCVVRLRRRCRTGVVSLCVQQVDPNSRVVLSSVVCVVQRLQVLCVVLVHHLPWFWAFPVSSQVSSCVVPVEGKDFAWDAGHVGFTATTMIIWMGGSNSPDTDHDSDDHDHDRDTIHTRHGD +>1f2n_A RICE YELLOW MOTTLE VIRUS +DDDFKDKDWDKAFQWFQKFALPAQFWDKAFPAQLSGVVSLLVQLQFFKKAWPKKKKWWAFDDDPPDFWKKKKAKALFQPDDTDSADVSSVPHHQIFMDTLHDANVCVCCNPPHCCPRIGMRIDDRDPGDIATHANDAPVVDDRVVRSRHTRIMMIMGINDNDNHIDGGTTMMITIMMMGGHGDDSVPGD +>1f2n_B RICE YELLOW MOTTLE VIRUS +DDDQKAKDKDKAFQWFQKFAQPALWWDKAFPAQLSGVVSLLVQLQFFKKAWDKKKKWKAFDDDPPDFWKKWKAKALFLVDDTDSADVSRVPHHQIFMGGRRFANVQVVCNPPRDPDSHGMRIDPRVPQDMATHANDAPNVDDRVVRSSHGRIMMTMGINHRDNHIDGGITMMITIIMMGGHGDDSVVGD +>1f2n_C RICE YELLOW MOTTLE VIRUS +DDDDDDDDDPDDDDDDPADPDDDPGDQKDKDWAKAFQWFQKFAQPALFWDKAFPAQLSGVVSVVNQLQFFKKAWDKKKKWKAFPDDPVDAWKKWKAKDLFQPDDTDSADVSSVVGHQIFMGGLRFANCCVVCNPPHCCVGIGMRIDDRVPGDMATHANDAPNPDPSVVSSSHTRIMMIMGINHRDNHMDGGTTMMITIIMMGGHGDDSVVGD +>1gya_MODEL_1_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDFDEDPAEDAAQFKFKADFDPDDDDDFFAKKFKAFVVPRHGAFMTGHPPDGDHPDLCWDADDSGMIIGHGDDPVSWGWMWIFTGGPVPDSPDIHTYGYYYDDD +>1gya_MODEL_2_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEAEAEDAFPFKWKADDDPDFDDDFFWKKWKAFVPPRGTQFITADPPDGDHDDLCWYADNGQMIIHGGAHQVSWTWMKMWTGGNPPDTDDIGTYGGDYDDD +>1gya_MODEL_3_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDQEDPAEDEAFDKDKADDDPDFDDDWFFKKWKAFVPPTGTQAITADPPDGPDPDLCWYADPRGMTIHHGDDVVSWTWMKIFTGTNVPHRPDIGTYGYDYDDD +>1gya_MODEL_4_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDDDEDAFQFKDKDAFDPDFDDDFFAKWFKAFPPRRHGCFMGDDPPDGRDPDLCWYADPRQMIMRGGHHQVSWGKMKIFTGGPVPDRPGIHTYTYHYDDD +>1gya_MODEL_5_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDFFEDEAEDAAFFKDKADDDPAFDDDFAWKWFKAFDPVRGTQFMTADPPDGHDPDQCWYADRRQMIIHGTDGQVSFGWMWIFGGGHVPDRPDIHTYGYHYDDD +>1gya_MODEL_6_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDFFEDAAEDAAQFKGKFDDDPDADDQFFQKKFKAQVPPGHTQAIGDDPPDGDDPDLCWYADPRHMIIHHGHHPVSWTWMKMFTGGPVPDSPDIGTYTYDHDDD +>1gya_MODEL_7_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDQEDPAEDAAFFKDKADDDPDFDDDFFFKKFKAFVVVRHGDFMTQPPPDTDDDDLCWYADRRRMIMGGTHGQVSWTWMKMFTGGNVPDRPDITTYTYGYDDD +>1gya_MODEL_8_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDDAEDAAFAKDKADDDQDADDDFFFKKFKAFVPPGHTQAITDDPPDGHDPDLCWYADRGRMTIHHGDHVVSWGWMKIFTGGNVPDRPDIGTYGHYYDDD +>1gya_MODEL_9_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDEAEDAAFFKGKAADDPDADDVWFFKKFKAQVVVRGGLFMTDDPPDGDAPDLLWHADNRNMTIHGGDDPVSWTWMKIFTGTPVPDRPDIGTYGYYHDDD +>1gya_MODEL_10_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDAADPAEDAAFFKDKFDFDPDADDDWFQKWFKFFPPVTGGAFMGDHPPDGDHPDLCWYADPRQMTMHHGDHPVSFGWMWIFTGGPVPDRPDIHTYGYYYDDD +>1gya_MODEL_11_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDDAEDAAQDKDKFDFDPDADDDFFFKKFKAQVPPGHTQFITDDPPDGDHPDLCWYADPRRMIMHGGDDQVSWGWMKIFTGTPVPDRPDIGTYTYYYDDD +>1gya_MODEL_12_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDDAEDAFQGKDKAADDPDADDDFFFKKFKAQVVVRHTQAMGDDPPDGHAPDQCWHADRRQMITHGGDDPVSFTWMKIFTGGPVPDRPDIGTYTYDYDDD +>1gya_MODEL_13_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDQEDEAEDAQPWKDKAAFDPDFDDDFAFKWFKFFDPVRGGQFMGDDPPDGDDDDLCWYADRRQMIIHGGQRPVSFGWMKIFGGGNVPDRPDIGTYGGYYDDD +>1gya_MODEL_14_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDEWEDAFQFKTKAQFDPDDDDDFFFKKFKAFVPVRHGQFIGDPPPDTDDDDLCWYADPNNMIMRGTHHVVSFGWMWIFGGGNVPDSPDIGTYGGDYDDD +>1gya_MODEL_15_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDEAEDAAFFWDKAAFDPDFDDPWFFKKFKAFDPVGGTQAIGDDPPDGDAPDQCWHADRGRMTIHGTGGQVSWGWMKMFTGTPVPDRPDIGTYGYHYDDD +>1gya_MODEL_16_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFADDAEDAAQDKDKFDDDPPFDDDFFFKKFKAQVPVRHTDAIGDDPPDGDDPDQQWYADRRRMIMGGTHDPVSWTWMKMFTGGNVPDRPDIHTYGGDYDDD +>1gya_MODEL_17_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDFFADEAEDAAQFKDKDDDDPDFDDDQWFWKFKAQVVVRHGQFIGDDPPDGDDPDLCWYADNGQMTMHGGGHQVNFTWMKIFTGGNVPDGPDIHTYTYDYDDD +>1gya_MODEL_18_A N-GLYCAN AND POLYPEPTIDE NMR SOLUTION STRUCTURES OF THE ADHESION DOMAIN OF HUMAN CD2 +DDDDFEDPAEDAAQGKDKADDDPDADDDFFFKKWKAFVPPGGTQAITDPPDDGRAPDQCWHADRRRMIMGGGDDPVSFGWMKIFTGGNVPDRPDIGTYGYYYDDD +>1igy_A STRUCTURE OF IMMUNOGLOBULIN +DDKAKPAQEAEEAWQAKDKIKMFDPWFQFQAKWKWWDAPPDDIHTAAGGQWHGDPPHDPQWTWHDGTGMIMIIGRTADLVRFTKMWMWRDRDPPIDIHPIHGYQYDDDWDFWDKDWDWFDPVVLVVWKTKIKMKTAQTPDPPKDKAKDLADGHRDDQKDKDWDDQDSPSRGIIIMIMHMDTSCVSVVHFKIKTWMDDPVDPDIDIDIGTDDPD +>1igy_B STRUCTURE OF IMMUNOGLOBULIN +DDWAKDDAEEDEQFAKDKMKTFDDDDQQLQWKKWKWWAADVGDIGTAWIAGNPRPDIDGDDVQPPQKDWDADSVRGIIMIMHGGHHQVVFTWMWMAIDVPGPHIHDTDTYGHDPDDFWAWDKDWFAPQCDPCPPQKDKTKIKTWFGPDDDKDKDKPNVPDDDDKAWDDWDDDPRMTITMMMHIGGRPCPQPPWMWIWMAGVVVGDTDIHTRDHDDPDPPPPDDDDPPDKDKDKAFFALCQLQVQVHWTWIKMKIWAAAPAWPQQDKWKDFPNDIDDFPPQWPWFDCPPNHTMTMGGGTDHSVSLVVWTWIWIFTDTDPDPDRDTGIDTHDDDDWFFWPKDKADFDPVPDPDFKGKIKIKTWFTDDQNKDKFKAFLHDGDDDWDKDGWDQDDVRGTMIMIIDMDGNVSQVVFSKMKMKMADVVDDSRIDIDIDTD +>1igy_C STRUCTURE OF IMMUNOGLOBULIN +DAKAKPAQEAEEAWQAKDKIKMFGPWFQFQAKWKWWDAPPDDIHTAAGRQWHGDPPHDPQWTWHDGTGMIMIIGRTAALVRFTKMWMWRDRDPPIDIHPIHGYQYDDDWDFWDKDWDWFDPVVLVVWKTKIKMKTAQTPDPPKDKAKDLADGHRDDQKDKDWDDQDSPSRGIIIMIMGMDTNCVSVVHFKMKTWMDDDVDPDIDIDIGGNPPD +>1igy_D STRUCTURE OF IMMUNOGLOBULIN +DDWAKDDAEEDEQFAKDKMKTFDDDDQQLQWKKFKWWAADVGDIGTAWIAGRPRPDIDGDDVQPPQKDWDADSVRGIIMIMHGGHHQVVFTWMWMAIDVPGPHIHDTDTYGHDPDDFDAWDKDWFAPQCDDCPPQKDKTKIKTWFGPDDDKDKDKPNVPADPDKAWDDWDDDPRMIITMMMHIGGRPCPVPPWMWIWMAGVVVGDTDIHTRDHPDDDDDQPQDDDDQDKDKDKAFFALVQLQDQVHWTWTKMKIWAAAPAWDQQDKWKDFANDIDDFPPQWPWFDCPSNHTMTMGGGTDHSVSLVVWTWIWIFTDTDSDPDRDIGIDTHDDDDWFFWPKDKAFFDPVPDPDFKGKIKIKTWFTDDQSKDKFKAFLHDGDDDWDKDGWDQDDVGGTMIMIIDMDGPVSQVVFSKMKMKMADVVDDSRTDIDIDTD +>1l2y_MODEL_1_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNVVNVDHGDD +>1l2y_MODEL_2_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNPVNPDHGDD +>1l2y_MODEL_3_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNVVVVDHGPD +>1l2y_MODEL_4_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNVVNPDDGDD +>1l2y_MODEL_5_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNPVNVDHGDD +>1l2y_MODEL_6_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNPVNVDHGPD +>1l2y_MODEL_7_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPAPVNVDHGPD +>1l2y_MODEL_8_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCVNPVNPDDGPD +>1l2y_MODEL_9_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNPVNVDDGDD +>1l2y_MODEL_10_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNPVNPDDGDD +>1l2y_MODEL_11_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVVPNCVVVDHGDD +>1l2y_MODEL_12_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNPVNPDDGPD +>1l2y_MODEL_13_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVHPPNPDDGDD +>1l2y_MODEL_14_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCCVCPNVVNPDHGDD +>1l2y_MODEL_15_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNPDDGDD +>1l2y_MODEL_16_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQCVCVVCPNVVVVDHGDD +>1l2y_MODEL_17_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DVQVVCVVCPAPVNVDHGDD +>1l2y_MODEL_18_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPAVVNPDHGDD +>1l2y_MODEL_19_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNVDHGDD +>1l2y_MODEL_20_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNVVVVDHGPD +>1l2y_MODEL_21_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCVNCVVVDHGDD +>1l2y_MODEL_22_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNPDHGPD +>1l2y_MODEL_23_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVVVNCVVVDHGPD +>1l2y_MODEL_24_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNVVNVDDGDD +>1l2y_MODEL_25_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DVQVVCVVCVNCVVVDHGDD +>1l2y_MODEL_26_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPAVVNVDHGPD +>1l2y_MODEL_27_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNVVNVDHGPD +>1l2y_MODEL_28_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNPDHGDD +>1l2y_MODEL_29_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNPVNVDDGDD +>1l2y_MODEL_30_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPHPVNPDDGDD +>1l2y_MODEL_31_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNVDHGDD +>1l2y_MODEL_32_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCVNPVNPDDGDD +>1l2y_MODEL_33_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNVVNPDHGPD +>1l2y_MODEL_34_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNPPNPDDGDD +>1l2y_MODEL_35_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPAVVNPDHGPD +>1l2y_MODEL_36_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DQQVVCVVCPNVVVVDHGDD +>1l2y_MODEL_37_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNVDHGPD +>1l2y_MODEL_38_A NMR Structure of Trp-Cage Miniprotein Construct TC5b +DCQVVCVVCPNVVNVDDGDD +>1o1z_A Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) (TM1621) from Thermotoga maritima at 1.60 A resolution +DDDDAQEAAEQALVVVDPGVFLVRQLVLVVLPHLGYEWEWDAALVGFTWTDPDQADCPPQNDGGGRNRHHPVRVCVSVVNGIDGPVVSPVRDDLSGAYEYEYPDLSNVVVVVVVCPVGPRYEYEYCPVVSCQVRVPPHAYEYEDDPPSCPDVVSNLVVCVVRVHQEYEYELVLVVDVVSLVSLQVSVVVNRAYEYDDDDDVVSCVVCVNSHRYYHYSNSNVVVVVD +>2axd_MODEL_1_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPPCCVVVPPVNVLLVVLLVLLLQQLCVVVVVPDGDPVVSQVVNPPVVSVSSVVSNVVSVVVSVVVPVPDPDDDDD +>2axd_MODEL_2_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPDDCVNVPVVVVVLVVLLVLLLLLLCVVVVVDDGDNVVSPVVDDPVCVVSSVVSNVVSVVCSVVVHDPDDPPDDD +>2axd_MODEL_3_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DVDVPCVDDVVVVLLVVLLVLLLLLLVVVVVVPPRPNVVSVVPRDPVPVVSNVVSNVVSVVVSVCVVPDDPPDDDD +>2axd_MODEL_4_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPDDCVVDPPPVVLLVQLLVQLLLVLCVVVVVDDGPPVVLVVSQDPVPVVSSVVSNVVSVVCSVCVVVPDCPPPDD +>2axd_MODEL_5_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DVDDDCVVPVVNCVLVVLLVLLLLLLVVVCPVPDGDNVVSLVVDDPVPSVSNVVSNVVNVVLVVVVVNPPPPDDPD +>2axd_MODEL_6_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DDDDPVCDDVVVCLLVVLLVLLLLLLCVVVVVPPGPVCVSVVSQDPVPNVSNVVSNVVSVCVSVLVPGNDPNDDDD +>2axd_MODEL_7_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DQDPVCCDDPVNCLLVVLLVVLLLVLCCVPVVDDRPNVCNVVSDDPVCPVSNVVSNVVSVVVSVCVVVPPDDDDDD +>2axd_MODEL_8_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPPVVLVDDVCNVVLVVLLVLLLLVLCVVVPVPDGDPVVSVVVDDPVVVVSSVVSNVVSPVCSVCVPPPDPDDDDD +>2axd_MODEL_9_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DDDDVVVPDCVPVLLVVLLVLLLQVLCVVVVVDDGDPVVLVVSDDPVCVVSSVVSNVVNVVCVVVPVPVDDDPPDD +>2axd_MODEL_10_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DQCDPCSPPPVVVLLVVLLVLLLLLLCVVVVVPDRDNVVSLVVRDPVPNVSNVVSNVVSNVCSVVVCPDDDDDDDD +>2axd_MODEL_11_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPPCCVVDPPVVVLLVVLLVLLLVVLVCVCVVPDDDPVVSLVVDDVVPNVSSVVSNVVSVVCSVVVVVDPDDDDDD +>2axd_MODEL_12_S solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit +DPDPCVVPDCNVCLLVVLLVLLLLQLCVVVVVDDGDPPVSQVPRDPVPPVSSVVSNVVSPVVSVVVVNVDDDPDDD +>2d0f_A Crystal Structure of Thermoactinomyces vulgaris R-47 Alpha-Amylase 1 (TVAI) Mutant D356N complexed with P2, a pullulan model oligosaccharide +DALDFEFDQLFWDDDCFFVFWPCLAAAQQDKIKGKIKGFPHRADWKWKWKAWPVVRDIDIWTWAWDQAFVQNGMTIIMTIDGGGQTKMFIKMWTGRVNQIWIQALLGIGRDDDPALTAIDHHPFDAFVCLLQFAEEEDLQQFEFQQDQVLAQDFQNDDDPPATAHEDEAPDDLCDDPRHHSFRYGDQGALNGVQVCVLLVCPLQNGAEYEYQDQADDRTSRQLQAQDLPWGHSSRPTVVSLLVSLVSSCDPPSHPGHAYEYAQNQFWHFCCHLLNNPPCPDPAAHLLRDCPHPSVQQFAAPPGPPRGQADVPPPRTTGGAPPDPPDVSLQQCFDDCNHSLNVQCAPPHNHAEYEYDLLQQRYHNNGRHPDPRSLVSQLVRLCRNCVSPVRRAYEYEDQEQCLVQAVNSRGHLEYAPNQQAQQLLLQDQLCAGQQLHHHHDFLVVSVSSNSVSCSSHHQSHQSNHEHENHEQATFQSCVSNVNDVLLLQLSLLDLLQARHHRYYHPPSQLSDGAHGPPRRSHRDDVVSSHCVRVSSVSSSLSSVVSSVDPQSSRFDKAWFDRDRVQRKTWIWGDHPPKIKIKIFGSAQAKDKDWTQSVSVVDDAQDKWAFSVVRDMFGHHPSTTIGIAGHSHMTITMD +>3o5r_A Complex of Fk506 with the Fk1 domain mutant A19T of FKBP51 +DVLVCQVVPFDQQDPVPPSQKTKDWDFAADDQDAADAFKKWWKWKWKDWPVGDTDDTPVVVVGTDIDGAPPPPAFQNVNRVSRRHHAFIKMKMWGFCNRHVAQVFDPPRGHGRITMIMIMHTHDIDHD +>5eil_A Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid +DDPLQVQLCCLLVQNPVSNVVSVVVPHDLCRADQQQDGSLLSNLQNLRLVSNVVSVVVPRQQCRQGNQQDGSLLNNLLVLNQNSNVVSLVSPHDQCRQTNQGDGSLLNNLLNLNQNNNVVSVVSPRDQCRATNVRDGSLRSNVVNVNVVSVVVSVVD +>5eil_B Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid +DDPLQVVLLVLLVQVPVVNVVSVVVPHDLCRADPQQDGSLLSNLQNLNLVSNVVSVVVPHQQCRQGNQQDGSLLNNLLNQNLNSNVVSVVSPHDQCRQGNQGDGSLLNNLLNLNQSVNVVSVVSPHAQCRATNVRDGSLNNNVVNVNVVNNVVSVPHD +>5eil_C Computational design of a high-affinity metalloprotein homotrimer containing a metal chelating non-canonical amino acid +DDPLQVQLLVLLVLPPVSNVVSVVVVHDLCRADPQQDGSLLSNLQNLNLVSNVVSVVVPRDQCGQGNQQDGSLLNNLLVQNQNSNVVSVVSPRDQCRQTNQGDGSLLNNLLNLNVVNNVVSVVSPHQQPRATNVRDGSLNSNVVNVNVVSNVVSVPVD +>5h73_A Crystal structure of human DHODH with 18F +DLLVCLQPPDLVVCVVVDFVVVSLVVVQVCLLVLVAPQDDDDQDVQQWDDAQNAIFSHQEEADEDSAAQLRRQVSRVSLPGREYEYHQAWAAADQFDDPPFKDDQVVQLKIFGQRGGHHNHLVRSLVSLVVCQVVQVVCRVVRYFYEYEYDYDQPDPDGLVRLLVCCQRCLLSGQEYEDEQAFQNRPPSVVCLAQVNVLVSVVSNVVSLVPDDVNSRHQYEYEEALPDDPVSLLSNLVSCVVRVRQAYEFHDFDQDQDPDRDGPCSPPGGGMAADVCQVSRLVVLLVNCVSNVLPHAYEGEGHDQALVSQLSSQLSAHPHYYYDSNCSNRNSVSSSRNSVRVVVVCVVVVHSHSVRNRNNVVD +>5ugo_A DNA polymerase beta nick complex with imidodiphosphate +DLPVLLLVQLQVVLLLCCQPVVNNVSNVLSNVLSVQVVPPPDNDDALVVSCVTDSRHDVSRVQRRVCNVPVDGPVVVVCCVDQLSVQRSVLCLQFPDGNVNSNVCVVVVQRDLVSCVVPLVPDDPLRNVSSVQVPLLPDKAFVVVVVVVVVVLQVQVCVVPVQKDKDWAEVVQLPDRIGSATEIEIEGQCFAPVHNNDPCSVVSSVVSCVVVQFFDFFSDDDRFKTWGWGFDDDDPPDDGRRIGIYMYGYAHVQQQLLQRVVRNADPVLVVVLQVLQVVLQWGGDSGAIFGADPVRDTDDGDDDDHNVVSCVSSVHGDDRSNVRPD +>5zng_A The crystal complex of immune receptor RGA5A_S of Pia from rice (Oryzae sativa) with rice blast (Magnaporthe oryzae) effector protein AVR1-CO39 +DVQAFFKKKWKKFAPQQDPVSLVVLQVLLCPFPFWDHWDQDDPNSGMITTIGGPGDVVVSQVRRCVVRVDMDTDDMDGD +>5zng_C The crystal complex of immune receptor RGA5A_S of Pia from rice (Oryzae sativa) with rice blast (Magnaporthe oryzae) effector protein AVR1-CO39 +DPAFKKKFKDDPHDTPDIDGDHAQDWDDDPNDIWGQHNQRAIPPQQDPVRIGMGMHTDPVHD +>7gsa_A PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000260a +DQVVVVLVVCVVVVCLVVVVVVLVVPADDADQVLCPDPVNPQQAPDPPFAFHPVFAQFQPDPPRRDHRWGWQQDVVLRWIAIFHAAGDPVCLLVVVSSCVVLQFQEEEEEEDCDAPRDGLHDPSADPDQPDWDADPVQQKIKGWDDWDDDDQWIKTWMWIARNVVRDIDIHIYIYGYPAHSDFGDPACVVVLVSLVVCVVVCRGPPVGGHHYYYYRSRAAVVLLSVLLVSLLSVLVPDPHNSPRDSSVSSSSSSVITPCHHPDSRSVSSSSNSNVVVCPVVPPD diff --git a/tests/structure/data/ids.txt b/tests/structure/data/ids.txt index 3ca623952..e905de2f8 100644 --- a/tests/structure/data/ids.txt +++ b/tests/structure/data/ids.txt @@ -16,6 +16,4 @@ 5eil 4p5j 1crr -7gsa -8crb -3bww \ No newline at end of file +7gsa \ No newline at end of file diff --git a/tests/structure/test_3di.py b/tests/structure/test_3di.py deleted file mode 100644 index 4278f3dbf..000000000 --- a/tests/structure/test_3di.py +++ /dev/null @@ -1,65 +0,0 @@ -import pathlib -import pytest -import biotite.structure.alphabet as strucalph -import biotite.structure.io.pdb as pdb -from tests.util import data_dir - - -@pytest.mark.parametrize( - "pdb_id, chain_id, ref_3di", - [ - ( - "3bww", - "A", - "DKDFFEAAEDDLVCLVVLLPPPACPQRQAYEDALVVQVPDDPVSVVSVVNSLVHHAYAYEYEAQQL" - "LDDPQGDVVSLVSVLVCCVVSVPQEYEYENDPPDADALDVVSLVSSLVSQLVSCVSSVGAYAYEDA" - "ADQDHDPRHPDDVLVSRQSNCVSNVHAHAYELVRLVRCCVRPVPDDSLVSLVRHPLQRHQHYEYQV" - "VSVVSVLVNLVDHQAHHYYYHDYPDDVVVNSVVRVVSRVSNVVSCVVVVHYIDMD", - ), - ( - "8crb", - "A", - "DWAKDKDWADEDAAQAKTKIKMATPPDLLQDFFKFKWFDAPPDDIDGQAPGACPSPPLADDVHHHH" - "GKGWHDDSVRRMIMIMGGNDDQVVFGKMKMFTADDADPQVVVPDGDDTDDMHDIDTYGHPPDDFFA" - "WDKDKDQDDPVPCPVQKPKIKMKTDDGDDDDKDKAWLVNPGDPQKDDFDWDADPVRGIIDMIIGMD" - "GNVCFQVGFTKIWMAGVVVRDIDIDGGHD", - ), - ( - "8crb", - "B", - "DAAKDFDQQEEEAAQAKDKGWIFAADVPPVPDAFWKWWDAPPDDIDTAADPNQAGDPVDHSQKGWD" - "ADHGITIIMGGRDDNSRQGFIWRAQPDDPDHNGHTDDTHGYYHCPDDQDDKDKDWDDAAVVVLVVL" - "FGKTKIKIDDGDDPPKDKFKDLQNHTDDAQWDWDDWDLDPVRTIMTMIIRRDGVVSCVVSQKMKMW" - "IDDDVHTDIDMDGNVVHD", - ), - ( - "8crb", - "C", - "DPCVLVVLVLQLVLVVLLLVVVVVVLVVCVVVLFKDWQDPVHDWQLACVSPDHDCPDCCSVPGSNN" - "VQQCPKPLDDVTATNQSVQQIDDGDLDHDDDDDTIQGCPPPVRCSVVVVVVSVVSVVVSVVSCVVS" - "VVVVVVD", - ), - ], -) -def test_to_3di(pdb_id, chain_id, ref_3di): - """ - Check if the 3di sequence of a chain is correctly generated, by comparing the result - to a reference sequence generated with *foldseek*. - """ - path = pathlib.Path(data_dir("structure")) / f"{pdb_id}.pdb" - file = pdb.PDBFile.read(path) - atoms = file.get_structure(model=1) - chain = atoms[atoms.chain_id == chain_id] - - test_3di, _ = strucalph.to_3di(chain) - - # We filtered one chain -> There should be only one 3di sequence - assert len(test_3di) == 1 - assert str(test_3di[0]) == ref_3di - - -def test_missing(): - """ - Test if missing or non-peptide residues within a chain are correctly handled. - """ - pass diff --git a/tests/structure/test_i3d.py b/tests/structure/test_i3d.py new file mode 100644 index 000000000..011490d7f --- /dev/null +++ b/tests/structure/test_i3d.py @@ -0,0 +1,83 @@ +import re +from pathlib import Path +import numpy as np +import pytest +import biotite.sequence.io.fasta as fasta +import biotite.structure as struc +import biotite.structure.alphabet as strucalph +import biotite.structure.io.pdbx as pdbx +from tests.util import data_dir + + +def _get_ref_3di_sequence(pdb_id, chain_id): + """ + Get the reference 3di sequence for the first model of the structure with the given + PDB ID and chain ID. + """ + ref_3di_file = fasta.FastaFile.read( + Path(data_dir("structure")) / "alphabet" / "i3d.fasta" + ) + for header, seq_string in ref_3di_file.items(): + # The first model of a structure is also the first sequence to appear + # and thus to be matched + if re.match(rf"^{pdb_id}(_MODEL_\d+)?_{chain_id}", header): + ref_3di_sequence = strucalph.I3DSequence(seq_string) + break + else: + raise ValueError( + f"Reference 3Di sequence not found for {pdb_id} chain {chain_id}" + ) + return ref_3di_sequence + + +@pytest.mark.parametrize( + "path", Path(data_dir("structure")).glob("*.bcif"), ids=lambda path: path.stem +) +def test_to_3di(path): + """ + Check if the 3di sequence of a chain is correctly generated, by comparing the result + to a reference sequence generated with *foldseek*. + """ + if ( + path.stem + in [ + "1dix" # `get_chain_starts()` does not work properly here with `use_author_fields=True` + ] + ): + pytest.skip("Miscellaneous issues") + + pdbx_file = pdbx.BinaryCIFFile.read(path) + if np.any( + pdbx_file.block["atom_site"]["label_alt_id"].mask.array + == pdbx.MaskValue.PRESENT + ): + # There is some inconsistency in how foldseek and Biotite handle altloc IDs + # -> skip these cases for the sake of simplicity + pytest.skip("Structure contains altlocs") + atoms = pdbx.get_structure(pdbx_file, model=1) + atoms = atoms[struc.filter_amino_acids(atoms)] + if len(atoms) == 0: + pytest.skip("Structure contains no peptide chains") + test_3di, chain_starts = strucalph.to_3di(atoms) + + ref_3di = [ + _get_ref_3di_sequence(path.stem, chain_id) + for chain_id in atoms.chain_id[chain_starts] + ] + + for test, ref, chain_id in zip(test_3di, ref_3di, atoms.chain_id[chain_starts]): + assert str(test) == str(ref), f"3Di sequence of chain {chain_id} does not match" + + +def test_missing(): + """ + Test if missing or non-peptide residues within a chain are correctly handled. + """ + pass + + +def test_empty(): + """ + Test if an empty structure is correctly handled. + """ + pass From 220b70dfb83ddc6904d228308e1bc703acfe7698 Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 16:49:46 +0200 Subject: [PATCH 09/16] Add 3Di substitution matrix --- doc/references.bib | 16 +++++- src/biotite/sequence/align/matrix.py | 52 ++++++++++++------- .../sequence/align/matrix_data/3Di.mat | 25 +++++++++ tests/sequence/align/test_matrix.py | 32 +++++++++++- 4 files changed, 105 insertions(+), 20 deletions(-) create mode 100644 src/biotite/sequence/align/matrix_data/3Di.mat diff --git a/doc/references.bib b/doc/references.bib index 4a08c984c..c83f89f40 100644 --- a/doc/references.bib +++ b/doc/references.bib @@ -742,7 +742,7 @@ @article{Steele2021 eprint = {2001.05304}, primaryclass = {cs}, doi = {10.48550/arXiv.2001.05304}, - archiveprefix = {arxiv} + archiveprefix = {arXiv} } @article{Steinegger2017, @@ -838,6 +838,20 @@ @article{VanHerk1992 doi = {10.1016/0167-8655(92)90069-C} } +@article{VanKempen2024, + title = {Fast and Accurate Protein Structure Search with {{Foldseek}}}, + author = {{van Kempen}, Michel and Kim, Stephanie S. and Tumescheit, Charlotte and Mirdita, Milot and Lee, Jeongjae and Gilchrist, Cameron L. M. and Söding, Johannes and Steinegger, Martin}, + year = {2024}, + month = feb, + journal = {Nature Biotechnology}, + volume = {42}, + number = {2}, + pages = {243--246}, + publisher = {Nature Publishing Group}, + issn = {1546-1696}, + doi = {10.1038/s41587-023-01773-0} +} + @article{Westbrook2015, title = {The Chemical Component Dictionary: Complete Descriptions of Constituent Molecules in Experimentally Determined {{3D}} Macromolecules in the {{Protein Data Bank}}}, shorttitle = {The Chemical Component Dictionary}, diff --git a/src/biotite/sequence/align/matrix.py b/src/biotite/sequence/align/matrix.py index 2a7d23437..7c80fa1fc 100644 --- a/src/biotite/sequence/align/matrix.py +++ b/src/biotite/sequence/align/matrix.py @@ -2,14 +2,17 @@ # under the 3-Clause BSD License. Please see 'LICENSE.rst' for further # information. +__all__ = ["SubstitutionMatrix"] __name__ = "biotite.sequence.align" __author__ = "Patrick Kunzmann" -import os +import functools +from pathlib import Path import numpy as np from biotite.sequence.seqtypes import NucleotideSequence, ProteinSequence -__all__ = ["SubstitutionMatrix"] +# Directory of matrix files +_DB_DIR = Path(__file__).parent / "matrix_data" class SubstitutionMatrix(object): @@ -59,6 +62,10 @@ class SubstitutionMatrix(object): - **RBLOSUM_** - **CorBLOSUM_** + - Structural alphabet substitution matrices + + - **3Di** - For 3Di alphabet from ``foldseek`` :footcite:`VanKempen2024` + A list of all available matrix names is returned by :meth:`list_db()`. @@ -124,9 +131,6 @@ class SubstitutionMatrix(object): >>> matrix = SubstitutionMatrix(alph, alph, "BLOSUM50") """ - # Directory of matrix files - _db_dir = os.path.join(os.path.dirname(os.path.realpath(__file__)), "matrix_data") - def __init__(self, alphabet1, alphabet2, score_matrix): self._alph1 = alphabet1 self._alph2 = alphabet2 @@ -350,7 +354,7 @@ def dict_from_db(matrix_name): matrix_dict : dict A dictionary representing the substitution matrix. """ - filename = SubstitutionMatrix._db_dir + os.sep + matrix_name + ".mat" + filename = _DB_DIR / f"{matrix_name}.mat" with open(filename, "r") as f: return SubstitutionMatrix.dict_from_str(f.read()) @@ -364,11 +368,10 @@ def list_db(): db_list : list List of matrix names in the internal database. """ - files = os.listdir(SubstitutionMatrix._db_dir) - # Remove '.mat' from files - return [file[:-4] for file in sorted(files)] + return [path.stem for path in _DB_DIR.glob("*.mat")] @staticmethod + @functools.cache def std_protein_matrix(): """ Get the default :class:`SubstitutionMatrix` for protein sequence @@ -379,9 +382,12 @@ def std_protein_matrix(): matrix : SubstitutionMatrix Default matrix. """ - return _matrix_blosum62 + return SubstitutionMatrix( + ProteinSequence.alphabet, ProteinSequence.alphabet, "BLOSUM62" + ) @staticmethod + @functools.cache def std_nucleotide_matrix(): """ Get the default :class:`SubstitutionMatrix` for DNA sequence @@ -392,13 +398,23 @@ def std_nucleotide_matrix(): matrix : SubstitutionMatrix Default matrix. """ - return _matrix_nuc + return SubstitutionMatrix( + NucleotideSequence.alphabet_amb, NucleotideSequence.alphabet_amb, "NUC" + ) + + @staticmethod + @functools.cache + def std_3di_matrix(): + """ + Get the default :class:`SubstitutionMatrix` for 3Di sequence + alignments. + Returns + ------- + matrix : SubstitutionMatrix + Default matrix. + """ + # Import inside function to avoid circular import + from biotite.structure.alphabet.i3d import I3DSequence -# Preformatted BLOSUM62 and NUC substitution matrix from NCBI -_matrix_blosum62 = SubstitutionMatrix( - ProteinSequence.alphabet, ProteinSequence.alphabet, "BLOSUM62" -) -_matrix_nuc = SubstitutionMatrix( - NucleotideSequence.alphabet_amb, NucleotideSequence.alphabet_amb, "NUC" -) + return SubstitutionMatrix(I3DSequence.alphabet, I3DSequence.alphabet, "3Di") diff --git a/src/biotite/sequence/align/matrix_data/3Di.mat b/src/biotite/sequence/align/matrix_data/3Di.mat new file mode 100644 index 000000000..93fe4e97b --- /dev/null +++ b/src/biotite/sequence/align/matrix_data/3Di.mat @@ -0,0 +1,25 @@ +# 3Di bit/2 +# Background (precomputed optional): 0.0489372 0.0306991 0.101049 0.0329671 0.0276149 0.0416262 0.0452521 0.030876 0.0297251 0.0607036 0.0150238 0.0215826 0.0783843 0.0512926 0.0264886 0.0610702 0.0201311 0.215998 0.0310265 0.0295417 0.00001 +# Lambda (precomputed optional): 0.351568 + A C D E F G H I K L M N P Q R S T V W Y X +A 6 -3 1 2 3 -2 -2 -7 -3 -3 -10 -5 -1 1 -4 -7 -5 -6 0 -2 0 +C -3 6 -2 -8 -5 -4 -4 -12 -13 1 -14 0 0 1 -1 0 -8 1 -7 -9 0 +D 1 -2 4 -3 0 1 1 -3 -5 -4 -5 -2 1 -1 -1 -4 -2 -3 -2 -2 0 +E 2 -8 -3 9 -2 -7 -4 -12 -10 -7 -17 -8 -6 -3 -8 -10 -10 -13 -6 -3 0 +F 3 -5 0 -2 7 -3 -3 -5 1 -3 -9 -5 -2 2 -5 -8 -3 -7 4 -4 0 +G -2 -4 1 -7 -3 6 3 0 -7 -7 -1 -2 -2 -4 3 -3 4 -6 -4 -2 0 +H -2 -4 1 -4 -3 3 6 -4 -7 -6 -6 0 -1 -3 1 -3 -1 -5 -5 3 0 +I -7 -12 -3 -12 -5 0 -4 8 -5 -11 7 -7 -6 -6 -3 -9 6 -12 -5 -8 0 +K -3 -13 -5 -10 1 -7 -7 -5 9 -11 -8 -12 -6 -5 -9 -14 -5 -15 5 -8 0 +L -3 1 -4 -7 -3 -7 -6 -11 -11 6 -16 -3 -2 2 -4 -4 -9 0 -8 -9 0 +M -10 -14 -5 -17 -9 -1 -6 7 -8 -16 10 -9 -9 -10 -5 -10 3 -16 -6 -9 0 +N -5 0 -2 -8 -5 -2 0 -7 -12 -3 -9 7 0 -2 2 3 -4 0 -8 -5 0 +P -1 0 1 -6 -2 -2 -1 -6 -6 -2 -9 0 4 0 0 -2 -4 0 -4 -5 0 +Q 1 1 -1 -3 2 -4 -3 -6 -5 2 -10 -2 0 5 -2 -4 -5 -1 -2 -5 0 +R -4 -1 -1 -8 -5 3 1 -3 -9 -4 -5 2 0 -2 6 2 0 -1 -6 -3 0 +S -7 0 -4 -10 -8 -3 -3 -9 -14 -4 -10 3 -2 -4 2 6 -6 0 -11 -9 0 +T -5 -8 -2 -10 -3 4 -1 6 -5 -9 3 -4 -4 -5 0 -6 8 -9 -5 -5 0 +V -6 1 -3 -13 -7 -6 -5 -12 -15 0 -16 0 0 -1 -1 0 -9 3 -10 -11 0 +W 0 -7 -2 -6 4 -4 -5 -5 5 -8 -6 -8 -4 -2 -6 -11 -5 -10 8 -6 0 +Y -2 -9 -2 -3 -4 -2 3 -8 -8 -9 -9 -5 -5 -5 -3 -9 -5 -11 -6 9 0 +X 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \ No newline at end of file diff --git a/tests/sequence/align/test_matrix.py b/tests/sequence/align/test_matrix.py index 570878945..ca10133bb 100644 --- a/tests/sequence/align/test_matrix.py +++ b/tests/sequence/align/test_matrix.py @@ -6,6 +6,7 @@ import pytest import biotite.sequence as seq import biotite.sequence.align as align +import biotite.structure.alphabet as strucalph @pytest.mark.parametrize( @@ -13,7 +14,7 @@ [ entry for entry in align.SubstitutionMatrix.list_db() - if entry not in ["NUC", "GONNET"] + if entry not in ["NUC", "GONNET", "3Di"] ], ) def test_matrices(db_entry): @@ -25,6 +26,35 @@ def test_matrices(db_entry): align.SubstitutionMatrix(alph1, alph2, db_entry) +@pytest.mark.parametrize( + "matrix_name, alphabet", + [ + ("3Di", strucalph.I3DSequence.alphabet), + ], +) +def test_structural_alphabet_matrices(matrix_name, alphabet): + """ + Test for exceptions when reading structural alphabet matrix files. + """ + align.SubstitutionMatrix(alphabet, alphabet, matrix_name) + + +@pytest.mark.parametrize( + "method_name", + [ + "std_protein_matrix", + "std_nucleotide_matrix", + "std_3di_matrix", + ], +) +def test_default_matrices(method_name): + """ + Test for exceptions when using the static methods for getting default matrices. + """ + matrix = getattr(align.SubstitutionMatrix, method_name)() + assert isinstance(matrix, align.SubstitutionMatrix) + + def test_matrix_str(): """ Test conversion of substitution matrix to string via a small From 218a967e247b7de341d0c1d8cca58976973788cd Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 16:58:46 +0200 Subject: [PATCH 10/16] Properly handle missing atoms --- src/biotite/structure/alphabet/i3d.py | 52 +++++++++------------- src/biotite/structure/util.py | 62 ++++++++++++++++++++++++++- 2 files changed, 82 insertions(+), 32 deletions(-) diff --git a/src/biotite/structure/alphabet/i3d.py b/src/biotite/structure/alphabet/i3d.py index 2833c63d3..944acdad8 100644 --- a/src/biotite/structure/alphabet/i3d.py +++ b/src/biotite/structure/alphabet/i3d.py @@ -10,24 +10,29 @@ __author__ = "Martin Larralde" __all__ = ["I3DSequence", "to_3di"] -import numpy as np from biotite.sequence.alphabet import LetterAlphabet from biotite.sequence.sequence import Sequence from biotite.structure.alphabet.encoder import Encoder from biotite.structure.chains import get_chain_starts +from biotite.structure.util import coord_for_atom_name_per_residue class I3DSequence(Sequence): """ - Representation of a structure sequence (in 3di alphabet). + Representation of a structure in 3Di structural alphabet. :footcite:`VanKempen2024` Parameters ---------- sequence : iterable object, optional - The initial 3Di sequence. + The 3Di sequence. This may either be a list or a string. May take upper or lower case letters. By default the sequence is empty. + + References + ---------- + + .. footbibliography:: """ alphabet = LetterAlphabet( @@ -75,6 +80,7 @@ def __repr__(self): def to_3di(atoms): r""" Encode each chain in the given structure to the 3Di structure alphabet. + :footcite:`VanKempen2024` Parameters ---------- @@ -90,6 +96,11 @@ def to_3di(atoms): chain_start_indices : ndarray, shape=(n,), dtype=int The atom index where each chain starts. + + References + ---------- + + .. footbibliography:: """ sequences = [] chain_start_indices = get_chain_starts(atoms, add_exclusive_stop=True) @@ -98,33 +109,12 @@ def to_3di(atoms): stop = chain_start_indices[i + 1] chain = atoms[start:stop] sequence = I3DSequence() - sequence.code = _encode_atoms(chain).filled() + sequence.code = ( + Encoder() + .encode( + *coord_for_atom_name_per_residue(chain, ["CA", "CB", "N", "C"]), + ) + .filled() + ) sequences.append(sequence) return sequences, chain_start_indices[:-1] - - -def _encode_atoms(atoms): - ca_atoms = atoms[atoms.atom_name == "CA"] - cb_atoms = atoms[atoms.atom_name == "CB"] - n_atoms = atoms[atoms.atom_name == "N"] - c_atoms = atoms[atoms.atom_name == "C"] - - r = atoms.res_id.max() - - ca = np.zeros((r + 1, 3), dtype=np.float32) - ca.fill(np.nan) - cb = ca.copy() - n = ca.copy() - c = ca.copy() - - ca[ca_atoms.res_id, :] = ca_atoms.coord - cb[cb_atoms.res_id, :] = cb_atoms.coord - n[n_atoms.res_id, :] = n_atoms.coord - c[c_atoms.res_id, :] = c_atoms.coord - - ca = ca[ca_atoms.res_id] - cb = cb[ca_atoms.res_id] - n = n[ca_atoms.res_id] - c = c[ca_atoms.res_id] - - return Encoder().encode(ca, cb, n, c) diff --git a/src/biotite/structure/util.py b/src/biotite/structure/util.py index cabbdc8f5..43816adfe 100644 --- a/src/biotite/structure/util.py +++ b/src/biotite/structure/util.py @@ -8,9 +8,18 @@ __name__ = "biotite.structure" __author__ = "Patrick Kunzmann" -__all__ = ["vector_dot", "norm_vector", "distance", "matrix_rotate"] +__all__ = [ + "vector_dot", + "norm_vector", + "distance", + "matrix_rotate", + "coord_for_atom_name_per_residue", +] import numpy as np +from biotite.structure.atoms import AtomArray +from biotite.structure.error import BadStructureError +from biotite.structure.residues import get_residue_masks, get_residue_starts def vector_dot(v1, v2): @@ -94,3 +103,54 @@ def matrix_rotate(v, matrix): if orig_ndim > 2: v = v.reshape(*orig_shape) return v + + +def coord_for_atom_name_per_residue(atoms, atom_names): + """ + Get the coordinates of a specific atom for every residue. + + If a residue does not contain the specified atom, the coordinates are `NaN`. + If a residue contains multiple atoms with the specified name, an exception is + raised. + + Parameters + ---------- + atoms : AtomArray, shape=(n,) or AtomArrayStack, shape=(m,n) + The atom array or stack to get the residue-wise coordinates from. + atom_names : list of str, length=k + + Returns + ------- + coord: ndarray, shape=(k, m, r, 3) or shape=(k, r, 3) + The coordinates of the specified atom for each residue. + """ + residue_starts = get_residue_starts(atoms) + all_residue_masks = get_residue_masks(atoms, residue_starts) + + if isinstance(atoms, AtomArray): + coord = np.full( + (len(atom_names), len(residue_starts), 3), + np.nan, + dtype=np.float32, + ) + else: + coord = np.full( + (len(atom_names), atoms.stack_depth(), len(residue_starts), 3), + np.nan, + dtype=np.float32, + ) + + for i, atom_name in enumerate(atom_names): + atom_mask_for_name = atoms.atom_name == atom_name + all_residue_masks_for_specified_atom = all_residue_masks & atom_mask_for_name + number_of_specified_atoms_per_residue = np.count_nonzero( + all_residue_masks_for_specified_atom, axis=-1 + ) + if np.any(number_of_specified_atoms_per_residue > 1): + raise BadStructureError(f"Multiple '{atom_name}' atoms per residue") + residues_with_specified_atom = number_of_specified_atoms_per_residue == 1 + coord[i, ..., residues_with_specified_atom, :] = atoms.coord[ + ..., atom_mask_for_name, : + ] + + return coord From ef0a25c1db8127e371b622efe0a7ac96d5901ebe Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 17:17:11 +0200 Subject: [PATCH 11/16] Organize functionalities in `structure.alphabet` --- doc/apidoc.json | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/doc/apidoc.json b/doc/apidoc.json index b68573551..9b398bcf6 100644 --- a/doc/apidoc.json +++ b/doc/apidoc.json @@ -356,7 +356,6 @@ "set_component", "list_assemblies", "get_assembly" - ], "CIF format" : [ "CIFFile", @@ -382,5 +381,13 @@ "StringArrayEncoding", "TypeCode" ] + }, + "biotite.structure.alphabet" : { + "Structural alphabets": [ + "I3DSequence" + ], + "Conversion Function": [ + "to_3di" + ] } } From edda6902a536d6f262f7e9c7ea1f864f8193cd2c Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 17:25:07 +0200 Subject: [PATCH 12/16] Add doctest --- src/biotite/structure/alphabet/i3d.py | 21 ++++++++++++++++----- tests/test_doctest.py | 1 + 2 files changed, 17 insertions(+), 5 deletions(-) diff --git a/src/biotite/structure/alphabet/i3d.py b/src/biotite/structure/alphabet/i3d.py index 944acdad8..1f295d1e1 100644 --- a/src/biotite/structure/alphabet/i3d.py +++ b/src/biotite/structure/alphabet/i3d.py @@ -19,7 +19,8 @@ class I3DSequence(Sequence): """ - Representation of a structure in 3Di structural alphabet. :footcite:`VanKempen2024` + Representation of a structure in the 3Di structural alphabet. + :footcite:`VanKempen2024` Parameters ---------- @@ -29,10 +30,15 @@ class I3DSequence(Sequence): May take upper or lower case letters. By default the sequence is empty. + See also + -------- + to_3di : Create 3Di sequences from a structure. + References ---------- .. footbibliography:: + """ alphabet = LetterAlphabet( @@ -78,22 +84,20 @@ def __repr__(self): def to_3di(atoms): - r""" + """ Encode each chain in the given structure to the 3Di structure alphabet. :footcite:`VanKempen2024` Parameters ---------- atoms : AtomArray - The atom array to encode. All atoms must be part of - a single chain. + The atom array to encode. May contain multiple chains. Returns ------- sequences : list of Sequence, length=n The encoded 3Di sequence for each peptide chain in the structure. - chain_start_indices : ndarray, shape=(n,), dtype=int The atom index where each chain starts. @@ -101,6 +105,13 @@ def to_3di(atoms): ---------- .. footbibliography:: + + Examples + -------- + + >>> sequences, chain_starts = to_3di(atom_array) + >>> print(sequences[0]) + DQQVVCVVCPNVVNVDHGDD """ sequences = [] chain_start_indices = get_chain_starts(atoms, add_exclusive_stop=True) diff --git a/tests/test_doctest.py b/tests/test_doctest.py index 8293210b6..98875124e 100644 --- a/tests/test_doctest.py +++ b/tests/test_doctest.py @@ -68,6 +68,7 @@ "biotite.structure.io.mol", ["biotite.structure", "biotite.structure.info"] ), pytest.param("biotite.structure.info", ["biotite.structure"]), + pytest.param("biotite.structure.alphabet", ["biotite.structure"]), pytest.param( "biotite.database.entrez", [], From 5f34d28109b558cff28195f205230a654996faba Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Wed, 16 Oct 2024 10:10:21 +0200 Subject: [PATCH 13/16] Test structures with missing atoms/residues --- tests/structure/test_i3d.py | 43 ++++++++++++++++++++++++++++++------- 1 file changed, 35 insertions(+), 8 deletions(-) diff --git a/tests/structure/test_i3d.py b/tests/structure/test_i3d.py index 011490d7f..e08d94544 100644 --- a/tests/structure/test_i3d.py +++ b/tests/structure/test_i3d.py @@ -69,15 +69,42 @@ def test_to_3di(path): assert str(test) == str(ref), f"3Di sequence of chain {chain_id} does not match" -def test_missing(): +def test_missing_residues(): """ - Test if missing or non-peptide residues within a chain are correctly handled. + Like, `test_to_protein_blocks()`, but in some residues backbone atoms are missing. + Expect that these and adjacent residues get the unknown symbol 'Z' in the + PB sequence. """ - pass + PDB_ID = "1aki" + N_DELETIONS = 5 + MAX_MISMATCH_PERCENTAGE = 0.1 + UKNOWN_SYMBOL = strucalph.I3DSequence.unknown_symbol + pdbx_file = pdbx.BinaryCIFFile.read(Path(data_dir("structure")) / f"{PDB_ID}.bcif") + atoms = pdbx.get_structure(pdbx_file, model=1) + atoms = atoms[struc.filter_amino_acids(atoms)] -def test_empty(): - """ - Test if an empty structure is correctly handled. - """ - pass + rng = np.random.default_rng(1) + del_backbone_residue_ids = rng.choice( + np.unique(atoms.res_id), N_DELETIONS, replace=False + ) + atoms = atoms[ + ~np.isin(atoms.res_id, del_backbone_residue_ids) + | ~np.isin(atoms.atom_name, ("N", "CA", "CB", "C")) + ] + test_sequences, _ = strucalph.to_3di(atoms) + + ref_sequence = _get_ref_3di_sequence(PDB_ID, atoms.chain_id[0]) + for res_id in del_backbone_residue_ids: + seq_index = res_id - atoms.res_id[0] + # Convert the PDB symbol for residue and adjacent ones to 'Z' + start_index = max(0, seq_index - 1) + end_index = min(len(ref_sequence), seq_index + 1) + ref_sequence[start_index : end_index + 1] = UKNOWN_SYMBOL + + assert len(test_sequences) == 1 + # 3Di sequences are quite complex, i.e. removing backbone atoms at some position + # might alter the symbols in remote positions + # -> Allow for mismatches + n_mismatches = np.count_nonzero(test_sequences[0].code != ref_sequence.code) + assert n_mismatches / len(ref_sequence) <= MAX_MISMATCH_PERCENTAGE From 1f487ccac12f53114b3b3e2279e6a11133b9a33e Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 18:33:23 +0200 Subject: [PATCH 14/16] Make `dihedral_backbone()` more robust against missing atoms --- src/biotite/structure/geometry.py | 173 +++++++++++------------------- src/biotite/structure/util.py | 13 ++- 2 files changed, 69 insertions(+), 117 deletions(-) diff --git a/src/biotite/structure/geometry.py b/src/biotite/structure/geometry.py index cc5c59f4e..8f64fbfb8 100644 --- a/src/biotite/structure/geometry.py +++ b/src/biotite/structure/geometry.py @@ -25,10 +25,12 @@ import numpy as np from biotite.structure.atoms import AtomArray, AtomArrayStack, coord from biotite.structure.box import coord_to_fraction, fraction_to_coord, is_orthogonal -from biotite.structure.chains import chain_iter -from biotite.structure.error import BadStructureError -from biotite.structure.filter import filter_peptide_backbone -from biotite.structure.util import norm_vector, vector_dot +from biotite.structure.filter import filter_amino_acids +from biotite.structure.util import ( + coord_for_atom_name_per_residue, + norm_vector, + vector_dot, +) def displacement(atoms1, atoms2, box=None): @@ -480,139 +482,84 @@ def index_dihedral(*args, **kwargs): def dihedral_backbone(atom_array): """ - Measure the characteristic backbone dihedral angles of a protein - structure. + Measure the characteristic backbone dihedral angles of a chain. Parameters ---------- - atom_array: AtomArray or AtomArrayStack - The protein structure. A complete backbone, without gaps, - is required here. - Chain transitions are allowed, the angles at the transition are - `NaN`. - The order of the backbone atoms for each residue must be - (N, CA, C). + atoms: AtomArray or AtomArrayStack + The protein structure to measure the dihedral angles for. + For missing backbone atoms the corresponding angles are `NaN`. Returns ------- phi, psi, omega : ndarray - An array containing the 3 backbone dihedral angles for every - CA. 'phi' is not defined at the N-terminus, 'psi' and 'omega' - are not defined at the C-terminus. In these places the arrays - have *NaN* values. If an :class:`AtomArrayStack` is given, the - output angles are 2-dimensional, the first dimension corresponds - to the model number. - - Raises - ------ - BadStructureError - If the amount of backbone atoms is not equal to amount of - residues times 3 (for N, CA and C). - - See Also - -------- - dihedral - - Examples - -------- - - >>> phi, psi, omega = dihedral_backbone(atom_array) - >>> print(np.stack([np.rad2deg(phi), np.rad2deg(psi)]).T) - [[ nan -56.145] - [ -43.980 -51.309] - [ -66.466 -30.898] - [ -65.219 -45.945] - [ -64.747 -30.346] - [ -73.136 -43.425] - [ -64.882 -43.255] - [ -59.509 -25.698] - [ -77.989 -8.823] - [ 110.784 8.079] - [ 55.244 -124.371] - [ -57.983 -28.766] - [ -81.834 19.125] - [-124.057 13.401] - [ 67.931 25.218] - [-143.952 131.297] - [ -70.100 160.068] - [ -69.484 145.669] - [ -77.264 124.223] - [ -78.100 nan]] + An array containing the 3 backbone dihedral angles for every CA atom. + `phi` is not defined at the N-terminus, `psi` and `omega` are not defined at the + C-terminus. + In these places the arrays have *NaN* values. + If an :class:`AtomArrayStack` is given, the output angles are 2-dimensional, + the first dimension corresponds to the model number. """ - bb_filter = filter_peptide_backbone(atom_array) - backbone = atom_array[..., bb_filter] - - if ( - backbone.array_length() % 3 != 0 - or (backbone.atom_name[0::3] != "N").any() - or (backbone.atom_name[1::3] != "CA").any() - or (backbone.atom_name[2::3] != "C").any() - ): - raise BadStructureError( - "The backbone is invalid, must be repeats of (N, CA, C), " - "maybe a backbone atom is missing" - ) - phis = [] - psis = [] - omegas = [] - for chain_bb in chain_iter(backbone): - phi, psi, omega = _dihedral_backbone(chain_bb) - phis.append(phi) - psis.append(psi) - omegas.append(omega) - return ( - np.concatenate(phis, axis=-1), - np.concatenate(psis, axis=-1), - np.concatenate(omegas, axis=-1), - ) + amino_acid_mask = filter_amino_acids(atom_array) + # Coordinates for dihedral angle calculation + coord_n, coord_ca, coord_c = coord_for_atom_name_per_residue( + atom_array, + ("N", "CA", "C"), + amino_acid_mask, + ) + n_residues = coord_n.shape[-2] -def _dihedral_backbone(chain_bb): - bb_coord = chain_bb.coord # Coordinates for dihedral angle calculation # Dim 0: Model index (only for atom array stacks) # Dim 1: Angle index # Dim 2: X, Y, Z coordinates # Dim 3: Atoms involved in dihedral angle - if isinstance(chain_bb, AtomArray): - angle_coord_shape = (len(bb_coord) // 3, 3, 4) - elif isinstance(chain_bb, AtomArrayStack): - angle_coord_shape = (bb_coord.shape[0], bb_coord.shape[1] // 3, 3, 4) - phi_coord = np.full(angle_coord_shape, np.nan) - psi_coord = np.full(angle_coord_shape, np.nan) - omega_coord = np.full(angle_coord_shape, np.nan) - - # Indices for coordinates of CA atoms - ca_i = np.arange(bb_coord.shape[-2] // 3) * 3 + 1 + if isinstance(atom_array, AtomArray): + angle_coord_shape: tuple[int, ...] = (n_residues, 3, 4) + elif isinstance(atom_array, AtomArrayStack): + angle_coord_shape = (atom_array.stack_depth(), n_residues, 3, 4) + coord_for_phi = np.full(angle_coord_shape, np.nan, dtype=np.float32) + coord_for_psi = np.full(angle_coord_shape, np.nan, dtype=np.float32) + coord_for_omg = np.full(angle_coord_shape, np.nan, dtype=np.float32) + # fmt: off - phi_coord [..., 1:, :, 0] = bb_coord[..., ca_i[1: ]-2, :] - phi_coord [..., 1:, :, 1] = bb_coord[..., ca_i[1: ]-1, :] - phi_coord [..., 1:, :, 2] = bb_coord[..., ca_i[1: ], :] - phi_coord [..., 1:, :, 3] = bb_coord[..., ca_i[1: ]+1, :] - psi_coord [..., :-1, :, 0] = bb_coord[..., ca_i[:-1]-1, :] - psi_coord [..., :-1, :, 1] = bb_coord[..., ca_i[:-1], :] - psi_coord [..., :-1, :, 2] = bb_coord[..., ca_i[:-1]+1, :] - psi_coord [..., :-1, :, 3] = bb_coord[..., ca_i[:-1]+2, :] - omega_coord[..., :-1, :, 0] = bb_coord[..., ca_i[:-1], :] - omega_coord[..., :-1, :, 1] = bb_coord[..., ca_i[:-1]+1, :] - omega_coord[..., :-1, :, 2] = bb_coord[..., ca_i[:-1]+2, :] - omega_coord[..., :-1, :, 3] = bb_coord[..., ca_i[:-1]+3, :] + coord_for_phi[..., 1:, :, 0] = coord_c[..., 0:-1, :] + coord_for_phi[..., 1:, :, 1] = coord_n[..., 1:, :] + coord_for_phi[..., 1:, :, 2] = coord_ca[..., 1:, :] + coord_for_phi[..., 1:, :, 3] = coord_c[..., 1:, :] + + coord_for_psi[..., 0:-1, :, 0] = coord_n[..., 0:-1, :] + coord_for_psi[..., 0:-1, :, 1] = coord_ca[..., 0:-1, :] + coord_for_psi[..., 0:-1, :, 2] = coord_c[..., 0:-1, :] + coord_for_psi[..., 0:-1, :, 3] = coord_n[..., 1:, :] + + coord_for_omg[..., 0:-1, :, 0] = coord_ca[..., 0:-1, :] + coord_for_omg[..., 0:-1, :, 1] = coord_c[..., 0:-1, :] + coord_for_omg[..., 0:-1, :, 2] = coord_n[..., 1:, :] + coord_for_omg[..., 0:-1, :, 3] = coord_ca[..., 1:, :] # fmt: on phi = dihedral( - phi_coord[..., 0], phi_coord[..., 1], phi_coord[..., 2], phi_coord[..., 3] + coord_for_phi[..., 0], + coord_for_phi[..., 1], + coord_for_phi[..., 2], + coord_for_phi[..., 3], ) psi = dihedral( - psi_coord[..., 0], psi_coord[..., 1], psi_coord[..., 2], psi_coord[..., 3] + coord_for_psi[..., 0], + coord_for_psi[..., 1], + coord_for_psi[..., 2], + coord_for_psi[..., 3], ) - omega = dihedral( - omega_coord[..., 0], - omega_coord[..., 1], - omega_coord[..., 2], - omega_coord[..., 3], + omg = dihedral( + coord_for_omg[..., 0], + coord_for_omg[..., 1], + coord_for_omg[..., 2], + coord_for_omg[..., 3], ) - return phi, psi, omega + return phi, psi, omg def centroid(atoms): diff --git a/src/biotite/structure/util.py b/src/biotite/structure/util.py index 43816adfe..018426061 100644 --- a/src/biotite/structure/util.py +++ b/src/biotite/structure/util.py @@ -105,7 +105,7 @@ def matrix_rotate(v, matrix): return v -def coord_for_atom_name_per_residue(atoms, atom_names): +def coord_for_atom_name_per_residue(atoms, atom_names, mask=None): """ Get the coordinates of a specific atom for every residue. @@ -118,6 +118,9 @@ def coord_for_atom_name_per_residue(atoms, atom_names): atoms : AtomArray, shape=(n,) or AtomArrayStack, shape=(m,n) The atom array or stack to get the residue-wise coordinates from. atom_names : list of str, length=k + The atom names to get the coordinates for. + mask : ndarray, shape=(n,), dtype=bool, optional + A boolean mask to further select valid atoms from `atoms`. Returns ------- @@ -141,8 +144,10 @@ def coord_for_atom_name_per_residue(atoms, atom_names): ) for i, atom_name in enumerate(atom_names): - atom_mask_for_name = atoms.atom_name == atom_name - all_residue_masks_for_specified_atom = all_residue_masks & atom_mask_for_name + specified_atom_mask = atoms.atom_name == atom_name + if mask is not None: + specified_atom_mask &= mask + all_residue_masks_for_specified_atom = all_residue_masks & specified_atom_mask number_of_specified_atoms_per_residue = np.count_nonzero( all_residue_masks_for_specified_atom, axis=-1 ) @@ -150,7 +155,7 @@ def coord_for_atom_name_per_residue(atoms, atom_names): raise BadStructureError(f"Multiple '{atom_name}' atoms per residue") residues_with_specified_atom = number_of_specified_atoms_per_residue == 1 coord[i, ..., residues_with_specified_atom, :] = atoms.coord[ - ..., atom_mask_for_name, : + ..., specified_atom_mask, : ] return coord From e0eb20df7816acefb5ce180e2efbcb495888bd06 Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Tue, 15 Oct 2024 18:34:35 +0200 Subject: [PATCH 15/16] Add Protein Blocks alphabet --- doc/apidoc.json | 6 +- src/biotite/sequence/align/matrix.py | 45 ++++++ .../sequence/align/matrix_data/PB.license | 21 +++ src/biotite/sequence/align/matrix_data/PB.mat | 18 +++ src/biotite/structure/alphabet/__init__.py | 1 + src/biotite/structure/alphabet/pb.license | 21 +++ src/biotite/structure/alphabet/pb.py | 143 ++++++++++++++++++ tests/sequence/align/test_matrix.py | 3 +- tests/structure/data/alphabet/1ay7.bcif | Bin 0 -> 213446 bytes tests/structure/data/alphabet/README.rst | 9 +- tests/structure/data/alphabet/pb.fasta | 2 + tests/structure/test_i3d.py | 2 + tests/structure/test_pb.py | 76 ++++++++++ 13 files changed, 343 insertions(+), 4 deletions(-) create mode 100644 src/biotite/sequence/align/matrix_data/PB.license create mode 100644 src/biotite/sequence/align/matrix_data/PB.mat create mode 100644 src/biotite/structure/alphabet/pb.license create mode 100644 src/biotite/structure/alphabet/pb.py create mode 100644 tests/structure/data/alphabet/1ay7.bcif create mode 100644 tests/structure/data/alphabet/pb.fasta create mode 100644 tests/structure/test_pb.py diff --git a/doc/apidoc.json b/doc/apidoc.json index 9b398bcf6..8352ffdd8 100644 --- a/doc/apidoc.json +++ b/doc/apidoc.json @@ -384,10 +384,12 @@ }, "biotite.structure.alphabet" : { "Structural alphabets": [ - "I3DSequence" + "I3DSequence", + "ProteinBlocksAlphabet" ], "Conversion Function": [ - "to_3di" + "to_3di", + "to_protein_blocks" ] } } diff --git a/src/biotite/sequence/align/matrix.py b/src/biotite/sequence/align/matrix.py index 7c80fa1fc..f2f15c235 100644 --- a/src/biotite/sequence/align/matrix.py +++ b/src/biotite/sequence/align/matrix.py @@ -65,6 +65,7 @@ class SubstitutionMatrix(object): - Structural alphabet substitution matrices - **3Di** - For 3Di alphabet from ``foldseek`` :footcite:`VanKempen2024` + - **PB** - For Protein Blocks alphabet from *PBexplore* :footcite:`Barnoud2017` A list of all available matrix names is returned by :meth:`list_db()`. @@ -408,6 +409,7 @@ def std_3di_matrix(): """ Get the default :class:`SubstitutionMatrix` for 3Di sequence alignments. + :footcite:`VanKempen2024` Returns ------- @@ -418,3 +420,46 @@ def std_3di_matrix(): from biotite.structure.alphabet.i3d import I3DSequence return SubstitutionMatrix(I3DSequence.alphabet, I3DSequence.alphabet, "3Di") + + @staticmethod + @functools.cache + def std_protein_blocks_matrix(unknown_match=200, unkown_mismatch=-200): + """ + Get the default :class:`SubstitutionMatrix` for Protein Blocks sequences. + + The matrix is adapted from *PBxplore* :footcite:`Barnoud2017`. + + Parameters + ---------- + unknown_match, unkown_mismatch : int, optional + The match and mismatch score for undefined symbols. + The default values were chose arbitrarily. + + Returns + ------- + matrix : SubstitutionMatrix + Default matrix. + + References + ---------- + + .. footbibliography:: + + """ + from biotite.structure.alphabet.pb import ProteinBlocksSequence + + alphabet = ProteinBlocksSequence.alphabet + unknown_symbol = ProteinBlocksSequence.unknown_symbol + matrix_dict = SubstitutionMatrix.dict_from_db("PB") + # Add match/mismatch scores for undefined symbols residues + for symbol in alphabet: + if symbol == unknown_symbol: + continue + matrix_dict[symbol, unknown_symbol] = unkown_mismatch + matrix_dict[unknown_symbol, symbol] = unkown_mismatch + matrix_dict[unknown_symbol, unknown_symbol] = unknown_match + return SubstitutionMatrix( + alphabet, + alphabet, + matrix_dict, + ) diff --git a/src/biotite/sequence/align/matrix_data/PB.license b/src/biotite/sequence/align/matrix_data/PB.license new file mode 100644 index 000000000..688633bfa --- /dev/null +++ b/src/biotite/sequence/align/matrix_data/PB.license @@ -0,0 +1,21 @@ +The MIT License (MIT) + +Copyright (c) 2013 Poulain, A. G. de Brevern + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. \ No newline at end of file diff --git a/src/biotite/sequence/align/matrix_data/PB.mat b/src/biotite/sequence/align/matrix_data/PB.mat new file mode 100644 index 000000000..abb8dc293 --- /dev/null +++ b/src/biotite/sequence/align/matrix_data/PB.mat @@ -0,0 +1,18 @@ +# PB substitution matrix, adapted from PBxplore + a b c d e f g h i j k l m n o p +a 516 -59 113 -105 -411 -177 -27 -361 47 -103 -644 -259 -599 -372 -124 -83 +b -59 541 -146 -210 -155 -310 -97 90 182 -128 -30 29 -745 -242 -165 22 +c 113 -146 360 -14 -333 -240 49 -438 -269 -282 -688 -682 -608 -455 -147 6 +d -105 -210 -14 221 5 -131 -349 -278 -253 -173 -585 -670 -1573 -1048 -691 -497 +e -411 -155 -333 5 520 185 186 138 -378 -70 -112 -514 -1136 -469 -617 -632 +f -177 -310 -240 -131 185 459 -99 -45 -445 83 -214 -88 -547 -629 -406 -552 +g -27 -97 49 -349 186 -99 665 -99 -89 -118 -409 -138 -124 172 128 254 +h -361 90 -438 -278 138 -45 -99 632 -205 316 192 -108 -712 -359 95 -399 +i 47 182 -269 -253 -378 -445 -89 -205 696 186 8 15 -709 -269 -169 226 +j -103 -128 -282 -173 -70 83 -118 316 186 768 196 5 -398 -340 -117 -104 +k -644 -30 -688 -585 -112 -214 -409 192 8 196 568 -65 -270 -231 -471 -382 +l -259 29 -682 -670 -514 -88 -138 -108 15 5 -65 533 -131 8 -11 -316 +m -599 -745 -608 -1573 -1136 -547 -124 -712 -709 -398 -270 -131 241 -4 -190 -155 +n -372 -242 -455 -1048 -469 -629 172 -359 -269 -340 -231 8 -4 703 88 146 +o -124 -165 -147 -691 -617 -406 128 95 -169 -117 -471 -11 -190 88 716 58 +p -83 22 6 -497 -632 -552 254 -399 226 -104 -382 -316 -155 146 58 609 \ No newline at end of file diff --git a/src/biotite/structure/alphabet/__init__.py b/src/biotite/structure/alphabet/__init__.py index 1e1678822..baafab6e1 100644 --- a/src/biotite/structure/alphabet/__init__.py +++ b/src/biotite/structure/alphabet/__init__.py @@ -10,3 +10,4 @@ __author__ = "Martin Larralde, Patrick Kunzmann" from .i3d import * +from .pb import * diff --git a/src/biotite/structure/alphabet/pb.license b/src/biotite/structure/alphabet/pb.license new file mode 100644 index 000000000..688633bfa --- /dev/null +++ b/src/biotite/structure/alphabet/pb.license @@ -0,0 +1,21 @@ +The MIT License (MIT) + +Copyright (c) 2013 Poulain, A. G. de Brevern + +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in all +copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE +SOFTWARE. \ No newline at end of file diff --git a/src/biotite/structure/alphabet/pb.py b/src/biotite/structure/alphabet/pb.py new file mode 100644 index 000000000..e2c527cca --- /dev/null +++ b/src/biotite/structure/alphabet/pb.py @@ -0,0 +1,143 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +Conversion of structures into the *Protein Blocks* structural alphabet. +""" + +__name__ = "biotite.structure.alphabet" +__author__ = "Patrick Kunzmann" +__all__ = ["ProteinBlocksSequence", "to_protein_blocks"] + +import numpy as np +from biotite.sequence.alphabet import LetterAlphabet +from biotite.sequence.sequence import Sequence +from biotite.structure.chains import get_chain_starts +from biotite.structure.geometry import dihedral_backbone + +# PB reference angles, adapted from PBxplore +PB_ANGLES = np.array( + [ + [41.14, 75.53, 13.92, -99.80, 131.88, -96.27, 122.08, -99.68], + [108.24, -90.12, 119.54, -92.21, -18.06, -128.93, 147.04, -99.90], + [-11.61, -105.66, 94.81, -106.09, 133.56, -106.93, 135.97, -100.63], + [141.98, -112.79, 132.20, -114.79, 140.11, -111.05, 139.54, -103.16], + [133.25, -112.37, 137.64, -108.13, 133.00, -87.30, 120.54, 77.40], + [116.40, -105.53, 129.32, -96.68, 140.72, -74.19, -26.65, -94.51], + [0.40, -81.83, 4.91, -100.59, 85.50, -71.65, 130.78, 84.98], + [119.14, -102.58, 130.83, -67.91, 121.55, 76.25, -2.95, -90.88], + [130.68, -56.92, 119.26, 77.85, 10.42, -99.43, 141.40, -98.01], + [114.32, -121.47, 118.14, 82.88, -150.05, -83.81, 23.35, -85.82], + [117.16, -95.41, 140.40, -59.35, -29.23, -72.39, -25.08, -76.16], + [139.20, -55.96, -32.70, -68.51, -26.09, -74.44, -22.60, -71.74], + [-39.62, -64.73, -39.52, -65.54, -38.88, -66.89, -37.76, -70.19], + [-35.34, -65.03, -38.12, -66.34, -29.51, -89.10, -2.91, 77.90], + [-45.29, -67.44, -27.72, -87.27, 5.13, 77.49, 30.71, -93.23], + [-27.09, -86.14, 0.30, 59.85, 21.51, -96.30, 132.67, -92.91], + ] +) # fmt: skip + + +class ProteinBlocksSequence(Sequence): + """ + Representation of a structure in the *Protein Blocks* structural alphabet. + :footcite:`Brevern2000` + + Parameters + ---------- + sequence : iterable object, optional + The *Protein Blocks* sequence. + This may either be a list or a string. + May take upper or lower case letters. + By default the sequence is empty. + + See also + -------- + to_protein_blocks : Create *Protein Blocks* sequences from a structure. + + References + ---------- + + .. footbibliography:: + + """ + + alphabet = LetterAlphabet("abcdefghijklmnopZ") + unknown_symbol = "Z" + + def get_alphabet(self): + return ProteinBlocksSequence.alphabet + + +def to_protein_blocks(atoms): + """ + Encode each chain in the given structure to the *Protein Blocks* structural + alphabet. + :footcite:`Brevern2000` + + Parameters + ---------- + atoms : AtomArray + The atom array to encode. + May contain multiple chains. + + Returns + ------- + sequences : list of Sequence, length=n + The encoded *Protein Blocks* sequence for each peptide chain in the structure. + chain_start_indices : ndarray, shape=(n,), dtype=int + The atom index where each chain starts. + + References + ---------- + + .. footbibliography:: + + Examples + -------- + + >>> sequences, chain_starts = to_protein_blocks(atom_array) + >>> print(sequences[0]) + ZZmmmmmnopjmnopacdZZ + """ + sequences = [] + chain_start_indices = get_chain_starts(atoms, add_exclusive_stop=True) + for i in range(len(chain_start_indices) - 1): + start = chain_start_indices[i] + stop = chain_start_indices[i + 1] + chain = atoms[start:stop] + sequences.append(_to_protein_blocks(chain)) + return sequences, chain_start_indices[:-1] + + +def _to_protein_blocks(chain): + phi, psi, _ = dihedral_backbone(chain) + + pb_angles = np.full((len(phi), 8), np.nan) + pb_angles[2:-2, 0] = psi[:-4] + pb_angles[2:-2, 1] = phi[1:-3] + pb_angles[2:-2, 2] = psi[1:-3] + pb_angles[2:-2, 3] = phi[2:-2] + pb_angles[2:-2, 4] = psi[2:-2] + pb_angles[2:-2, 5] = phi[3:-1] + pb_angles[2:-2, 6] = psi[3:-1] + pb_angles[2:-2, 7] = phi[4:] + pb_angles = np.rad2deg(pb_angles) + + # Angle RMSD of all reference angles with all actual angles + rmsda = np.sum( + ((PB_ANGLES[:, np.newaxis] - pb_angles[np.newaxis, :] + 180) % 360 - 180) ** 2, + axis=-1, + ) + # Where RMSDA is NaN, (missing atoms/residues or chain ends) set symbol to unknown + pb_seq_code = np.full(len(pb_angles), ProteinBlocksSequence.alphabet.encode("Z")) + pb_available_mask = ~np.isnan(rmsda).any(axis=0) + # Chose PB, where the RMSDA to the reference angle is lowest + # Due to the definition of Biotite symbol codes + # the index of the chosen PB is directly the symbol code + pb_seq_code[pb_available_mask] = np.argmin(rmsda[:, pb_available_mask], axis=0) + # Put the array of symbol codes into actual sequence objects + pb_sequence = ProteinBlocksSequence() + pb_sequence.code = pb_seq_code + return pb_sequence diff --git a/tests/sequence/align/test_matrix.py b/tests/sequence/align/test_matrix.py index ca10133bb..2745af8cb 100644 --- a/tests/sequence/align/test_matrix.py +++ b/tests/sequence/align/test_matrix.py @@ -14,7 +14,7 @@ [ entry for entry in align.SubstitutionMatrix.list_db() - if entry not in ["NUC", "GONNET", "3Di"] + if entry not in ["NUC", "GONNET", "3Di", "PB"] ], ) def test_matrices(db_entry): @@ -45,6 +45,7 @@ def test_structural_alphabet_matrices(matrix_name, alphabet): "std_protein_matrix", "std_nucleotide_matrix", "std_3di_matrix", + "std_protein_blocks_matrix", ], ) def test_default_matrices(method_name): diff --git a/tests/structure/data/alphabet/1ay7.bcif b/tests/structure/data/alphabet/1ay7.bcif new file mode 100644 index 0000000000000000000000000000000000000000..3ce454e2efa7a3ff3de0bcafdaecc79b329776a3 GIT binary patch literal 213446 zcmeD^2Vfi3*|#)3vI7Z(nhhn(&SHaXE4GPaJC-vXphC7}TSS(OB!`#|Hl+h76euk% zh3vgZQUYO>)dFdu?GFv4rDc^pGiyQ|aV`tFogXPe*SarsK%O<4>4S+msP^*KH6RZ}NVn>=;B-R8HIyF9H+e0Sfp zy2D|EFRm;#HP2e#YV$kVJzl57x1X4O^Gdg^)3Ms>aQnSIYg#?7?oPMwZhUmP)4mej z<)*dVgPrd7yKh~&#Obzgu=u_3$>jCgdN!gf%xGZf{7u~Xb>%&N2X}U*zo*MVulI4+ zSHhLt5H@?-+I$Yb@U36o%zbNBrNia7t%i}cJKe+@pSQIMefbvd6`ENIosV1`*Y|^7Uy*iN^u;_8vI<}^Ay2wGkcyP;Ads0&9~&4 zwO-G)_>Oq?o2|BPyVGxN^|;$S-cA8FFjxe!b#`Z~--_O)9YmWuJ7G1gUG|n`li?{j z0IcFTU|}F^x)m;Ojt+mjU*e(#tu!s(=z 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sequences in `i3d.fasta` were generated with `foldseek` according to $ foldseek createdb --chain-name-mode 1 tests/structure/data/*.cif /tmp/biotite_3di $ foldseek lndb /tmp/biotite_3di_h /tmp/biotite_3di_ss_h - $ foldseek convert2fasta /tmp/biotite_3di_ss tests/structure/data/alphabet/i3d.fasta \ No newline at end of file + $ foldseek convert2fasta /tmp/biotite_3di_ss tests/structure/data/alphabet/i3d.fasta + +Protein Blocks sequences +------------------------ + +Only one sequence is available in `pb.fasta`, that is taken from +`https://pbxplore.readthedocs.io/en/latest/PBassign.html`. +`1ay7.bcif` contains the corresponding structure. \ No newline at end of file diff --git a/tests/structure/data/alphabet/pb.fasta b/tests/structure/data/alphabet/pb.fasta new file mode 100644 index 000000000..3d7cb3f8c --- /dev/null +++ b/tests/structure/data/alphabet/pb.fasta @@ -0,0 +1,2 @@ +>1ay7 +ZZdddfklpcbfklmmmmmmmmnopafklgoiaklmmmmmmmmpacddddddehkllmmmmnnommmmmmmmmmmmmmnopacddddZZ \ No newline at end of file diff --git a/tests/structure/test_i3d.py b/tests/structure/test_i3d.py index e08d94544..402554608 100644 --- a/tests/structure/test_i3d.py +++ b/tests/structure/test_i3d.py @@ -84,6 +84,7 @@ def test_missing_residues(): atoms = pdbx.get_structure(pdbx_file, model=1) atoms = atoms[struc.filter_amino_acids(atoms)] + # Randomly delete some backbone atoms rng = np.random.default_rng(1) del_backbone_residue_ids = rng.choice( np.unique(atoms.res_id), N_DELETIONS, replace=False @@ -94,6 +95,7 @@ def test_missing_residues(): ] test_sequences, _ = strucalph.to_3di(atoms) + # Apply the same deletions to the reference sequence ref_sequence = _get_ref_3di_sequence(PDB_ID, atoms.chain_id[0]) for res_id in del_backbone_residue_ids: seq_index = res_id - atoms.res_id[0] diff --git a/tests/structure/test_pb.py b/tests/structure/test_pb.py new file mode 100644 index 000000000..5ecb57348 --- /dev/null +++ b/tests/structure/test_pb.py @@ -0,0 +1,76 @@ +from pathlib import Path +import numpy as np +import pytest +import biotite.sequence.io.fasta as fasta +import biotite.structure as struc +import biotite.structure.alphabet as strucalph +import biotite.structure.io.pdbx as pdbx +from tests.util import data_dir + + +@pytest.fixture +def reference_sequence(): + """ + Get the reference Protein Blocks sequence for the alphabet example structure. + """ + _, seq_string = next( + fasta.FastaFile.read_iter(Path(data_dir("structure")) / "alphabet" / "pb.fasta") + ) + return strucalph.ProteinBlocksSequence(seq_string) + + +@pytest.fixture +def reference_chain(): + pdbx_file = pdbx.BinaryCIFFile.read( + Path(data_dir("structure")) / "alphabet" / "1ay7.bcif" + ) + atoms = pdbx.get_structure(pdbx_file, model=1) + atoms = atoms[struc.filter_amino_acids(atoms)] + chain = atoms[atoms.chain_id == "B"] + return chain + + +def test_to_protein_blocks(reference_chain, reference_sequence): + """ + Test the structure conversion to protein blocks based on a reference example from + the PBexplore documentation + (https://pbxplore.readthedocs.io/en/latest/intro_PB.html). + """ + test_pb_sequences, _ = strucalph.to_protein_blocks(reference_chain) + + assert len(test_pb_sequences) == 1 + assert str(test_pb_sequences[0]) == str(reference_sequence) + + +def test_missing_residues(reference_chain, reference_sequence): + """ + Like, `test_to_protein_blocks()`, but in some residues backbone atoms are missing. + Expect that these and adjacent residues get the unknown symbol 'Z' in the + PB sequence. + """ + N_DELETIONS = 5 + # The 'Z' symbol + UKNOWN_SYMBOL = strucalph.ProteinBlocksSequence.unknown_symbol + + # Randomly delete some backbone atoms + rng = np.random.default_rng(1) + del_backbone_residue_ids = rng.choice( + np.unique(reference_chain.res_id), N_DELETIONS, replace=False + ) + reference_chain = reference_chain[ + ~np.isin(reference_chain.res_id, del_backbone_residue_ids) + | ~np.isin(reference_chain.atom_name, ("N", "CA", "C")) + ] + + # Apply the same deletions to the reference sequence + for res_id in del_backbone_residue_ids: + seq_index = res_id - reference_chain.res_id[0] + # Convert the PB symbol for residue and adjacent ones to 'Z' + start_index = max(0, seq_index - 2) + end_index = min(len(reference_sequence), seq_index + 2) + reference_sequence[start_index : end_index + 1] = UKNOWN_SYMBOL + + test_pb_sequences, _ = strucalph.to_protein_blocks(reference_chain) + + assert len(test_pb_sequences) == 1 + assert str(test_pb_sequences[0]) == str(reference_sequence) From fa5621b08a0cff2070e47d86fa8e9ae10beb48a7 Mon Sep 17 00:00:00 2001 From: Patrick Kunzmann Date: Thu, 17 Oct 2024 11:11:07 +0200 Subject: [PATCH 16/16] Add support for CLePAPS structural alphabet --- doc/apidoc.json | 6 +- doc/references.bib | 15 ++ src/biotite/sequence/align/matrix.py | 43 +++++- src/biotite/structure/alphabet/__init__.py | 1 + src/biotite/structure/alphabet/clepaps.py | 156 ++++++++++++++++++++ tests/sequence/align/test_matrix.py | 1 + tests/structure/data/alphabet/1cew.bcif | Bin 0 -> 199166 bytes tests/structure/data/alphabet/1mol.bcif | Bin 0 -> 169550 bytes tests/structure/data/alphabet/README.rst | 8 +- tests/structure/data/alphabet/clepaps.fasta | 4 + tests/structure/test_clepaps.py | 82 ++++++++++ 11 files changed, 312 insertions(+), 4 deletions(-) create mode 100644 src/biotite/structure/alphabet/clepaps.py create mode 100644 tests/structure/data/alphabet/1cew.bcif create mode 100644 tests/structure/data/alphabet/1mol.bcif create mode 100644 tests/structure/data/alphabet/clepaps.fasta create mode 100644 tests/structure/test_clepaps.py diff --git a/doc/apidoc.json b/doc/apidoc.json index 8352ffdd8..0d3eb7798 100644 --- a/doc/apidoc.json +++ b/doc/apidoc.json @@ -385,11 +385,13 @@ "biotite.structure.alphabet" : { "Structural alphabets": [ "I3DSequence", - "ProteinBlocksAlphabet" + "ProteinBlocksAlphabet", + "ClepapsAlphabet" ], "Conversion Function": [ "to_3di", - "to_protein_blocks" + "to_protein_blocks", + "to_clepaps" ] } } diff --git a/doc/references.bib b/doc/references.bib index c83f89f40..bfa6b180f 100644 --- a/doc/references.bib +++ b/doc/references.bib @@ -852,6 +852,21 @@ @article{VanKempen2024 doi = {10.1038/s41587-023-01773-0} } +@article{Wang2008, + title = {{{CLePAPS}}: {{FAST PAIR ALIGNMENT OF PROTEIN STRUCTURES BASED ON CONFORMATIONAL LETTERS}}}, + shorttitle = {{{CLePAPS}}}, + author = {Wang, Sheng and Zheng, Wei-Mou}, + year = {2008}, + month = apr, + journal = {Journal of Bioinformatics and Computational Biology}, + volume = {06}, + number = {02}, + pages = {347--366}, + publisher = {World Scientific Publishing Co.}, + issn = {0219-7200}, + doi = {10.1142/S0219720008003461} +} + @article{Westbrook2015, title = {The Chemical Component Dictionary: Complete Descriptions of Constituent Molecules in Experimentally Determined {{3D}} Macromolecules in the {{Protein Data Bank}}}, shorttitle = {The Chemical Component Dictionary}, diff --git a/src/biotite/sequence/align/matrix.py b/src/biotite/sequence/align/matrix.py index f2f15c235..fd5f02e9a 100644 --- a/src/biotite/sequence/align/matrix.py +++ b/src/biotite/sequence/align/matrix.py @@ -66,6 +66,7 @@ class SubstitutionMatrix(object): - **3Di** - For 3Di alphabet from ``foldseek`` :footcite:`VanKempen2024` - **PB** - For Protein Blocks alphabet from *PBexplore* :footcite:`Barnoud2017` + - **CLESUM** - For CLePAPS alphabet :footcite:`Wang2008` A list of all available matrix names is returned by :meth:`list_db()`. @@ -451,7 +452,47 @@ def std_protein_blocks_matrix(unknown_match=200, unkown_mismatch=-200): alphabet = ProteinBlocksSequence.alphabet unknown_symbol = ProteinBlocksSequence.unknown_symbol matrix_dict = SubstitutionMatrix.dict_from_db("PB") - # Add match/mismatch scores for undefined symbols residues + for symbol in alphabet: + if symbol == unknown_symbol: + continue + matrix_dict[symbol, unknown_symbol] = unkown_mismatch + matrix_dict[unknown_symbol, symbol] = unkown_mismatch + matrix_dict[unknown_symbol, unknown_symbol] = unknown_match + return SubstitutionMatrix( + alphabet, + alphabet, + matrix_dict, + ) + + @staticmethod + @functools.cache + def std_clepaps_matrix(unknown_match=200, unkown_mismatch=-200): + """ + Get the default :class:`SubstitutionMatrix` for *CLePAPS* sequences. + + Parameters + ---------- + unknown_match, unkown_mismatch : int, optional + The match and mismatch score for undefined symbols. + The default values were chose arbitrarily. + + Returns + ------- + matrix : SubstitutionMatrix + Default matrix. + + References + ---------- + + .. footbibliography:: + + """ + from biotite.structure.alphabet.pb import ProteinBlocksSequence + + alphabet = ProteinBlocksSequence.alphabet + unknown_symbol = ProteinBlocksSequence.unknown_symbol + matrix_dict = SubstitutionMatrix.dict_from_db("CLESUM") + # Add match/mismatch scores for undefined symbols for symbol in alphabet: if symbol == unknown_symbol: continue diff --git a/src/biotite/structure/alphabet/__init__.py b/src/biotite/structure/alphabet/__init__.py index baafab6e1..f517b9ed9 100644 --- a/src/biotite/structure/alphabet/__init__.py +++ b/src/biotite/structure/alphabet/__init__.py @@ -9,5 +9,6 @@ __name__ = "biotite.structure.alphabet" __author__ = "Martin Larralde, Patrick Kunzmann" +from .clepaps import * from .i3d import * from .pb import * diff --git a/src/biotite/structure/alphabet/clepaps.py b/src/biotite/structure/alphabet/clepaps.py new file mode 100644 index 000000000..70bc01f2d --- /dev/null +++ b/src/biotite/structure/alphabet/clepaps.py @@ -0,0 +1,156 @@ +# This source code is part of the Biotite package and is distributed +# under the 3-Clause BSD License. Please see 'LICENSE.rst' for further +# information. + +""" +Conversion of structures into the *Protein Blocks* structural alphabet. +""" + +__name__ = "biotite.structure.alphabet" +__author__ = "Patrick Kunzmann" +__all__ = ["ClepapsSequence", "to_clepaps"] + +import numpy as np +from biotite.sequence.alphabet import LetterAlphabet +from biotite.sequence.sequence import Sequence +from biotite.structure.chains import get_chain_starts +from biotite.structure.filter import filter_amino_acids +from biotite.structure.geometry import angle, dihedral +from biotite.structure.util import coord_for_atom_name_per_residue + +# CLePAPS reference angles +CLEPAPS_CENTERS = np.array( + [ + [ 1.02, -2. , 1.55], + [ 1.06, -2.94, 1.34], + [ 1.01, -1.88, 1.14], + [ 0.79, -2.3 , 1.03], + [ 1.02, -2.98, 0.95], + [ 1.09, -2.72, 0.91], + [ 1.49, 2.09, 1.05], + [ 1.55, 0.88, 1.55], + [ 1.52, 0.83, 1.52], + [ 1.58, 1.05, 1.55], + [ 1.48, 0.7 , 1.43], + [ 1.4 , 0.75, 0.84], + [ 1.47, 1.64, 1.44], + [ 1.12, 0.14, 1.49], + [ 1.54, -1.89, 1.48], + [ 1.24, -2.98, 1.49], + [ 0.86, -0.37, 1.01], + ] +) # fmt: skip + + +class ClepapsSequence(Sequence): + """ + Representation of a structure in the *CLePAPS* structural alphabet. + :footcite:`Wang2008` + + Parameters + ---------- + sequence : iterable object, optional + The *CLePAPS* sequence. + This may either be a list or a string. + May take upper or lower case letters. + By default the sequence is empty. + + See also + -------- + to_clepaps : Create *CLePAPS* sequences from a structure. + + References + ---------- + + .. footbibliography:: + + """ + + alphabet = LetterAlphabet("ABCDEFGHIJKLMNOPQR") + unknown_symbol = "R" + + def get_alphabet(self): + return ClepapsSequence.alphabet + + +def to_clepaps(atoms): + """ + Encode each chain in the given structure to the *CLePAPS* structural + alphabet. + :footcite:`Wang2008` + + Parameters + ---------- + atoms : AtomArray + The atom array to encode. + May contain multiple chains. + + Returns + ------- + sequences : list of Sequence, length=n + The encoded *CLePAPS* sequence for each peptide chain in the structure. + chain_start_indices : ndarray, shape=(n,), dtype=int + The atom index where each chain starts. + + References + ---------- + + .. footbibliography:: + + Examples + -------- + + >>> sequences, chain_starts = to_clepaps(atom_array) + >>> print(sequences[0]) + """ + sequences = [] + chain_start_indices = get_chain_starts(atoms, add_exclusive_stop=True) + for i in range(len(chain_start_indices) - 1): + start = chain_start_indices[i] + stop = chain_start_indices[i + 1] + chain = atoms[start:stop] + sequences.append(_to_clepaps(chain)) + return sequences, chain_start_indices[:-1] + + +def _to_clepaps(chain): + amino_acid_mask = filter_amino_acids(chain) + + # Coordinates for dihedral angle calculation + (coord_ca,) = coord_for_atom_name_per_residue( + chain, + ("CA",), + amino_acid_mask, + ) + + bending = angle(coord_ca[:-2], coord_ca[1:-1], coord_ca[2:]) + theta_1 = bending[:-1] + theta_2 = bending[1:] + tau = dihedral(coord_ca[:-3], coord_ca[1:-2], coord_ca[2:-1], coord_ca[3:]) + clepaps_angles = np.stack([theta_1, tau, theta_2], axis=-1) + + # Angle RMSD of all reference angles with all actual angles + rmsda = np.sum( + (CLEPAPS_CENTERS[:, np.newaxis] - clepaps_angles[np.newaxis, :]) ** 2, + axis=-1, + ) + # Where RMSDA is NaN, (missing atoms/residues or chain ends) set symbol to unknown + clepaps_seq_code = np.full( + len(clepaps_angles), + ClepapsSequence.alphabet.encode(ClepapsSequence.unknown_symbol), + ) + available_mask = ~np.isnan(rmsda).any(axis=0) + # Chose symbol, where the RMSDA to the reference angle is lowest + # Due to the definition of Biotite symbol codes + # the index of the chosen PB is directly the symbol code + clepaps_seq_code[available_mask] = np.argmin(rmsda[:, available_mask], axis=0) + # Put the array of symbol codes into actual sequence objects + clepaps_sequence = ClepapsSequence() + # Since every symbols comprises 4 residues, the sequence length is shortened by 3 + # By definition of CLePAPS, the first two and the last residue are undefined + clepaps_sequence.code = np.full( + coord_ca.shape[0], + ClepapsSequence.alphabet.encode(ClepapsSequence.unknown_symbol), + ) + clepaps_sequence.code[2:-1] = clepaps_seq_code + return clepaps_sequence diff --git a/tests/sequence/align/test_matrix.py b/tests/sequence/align/test_matrix.py index 2745af8cb..02a1cbae3 100644 --- a/tests/sequence/align/test_matrix.py +++ b/tests/sequence/align/test_matrix.py @@ -46,6 +46,7 @@ def test_structural_alphabet_matrices(matrix_name, alphabet): "std_nucleotide_matrix", "std_3di_matrix", "std_protein_blocks_matrix", + "std_clepaps_matrix", ], ) def test_default_matrices(method_name): diff --git a/tests/structure/data/alphabet/1cew.bcif b/tests/structure/data/alphabet/1cew.bcif new file mode 100644 index 0000000000000000000000000000000000000000..f19f878e88b429e9829adbbe7ea31c5b72b53b1c GIT binary patch literal 199166 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z9zW<4c?`>g>WXY&v#pgO`Yq*xtixroFl7`+nFr)(mhW%nBN0PRaZS8*)xZ#agS;U|;y_WxZnxa|KI zjO#zhXg>jo__s&%_}gQs`}&L-J*fBp<8$g_=6`igU8(l3eAfG4`Pr!)QhB5bNEMMP zBPTcXC34zL)sbo-)kA84)EGIrrx0ZKK+TY6O*t;7u1H@a7YnF6Qct8_NWGC`GU|sk z5NQyyMW%412;=~RzCoIXGz&Qqq%BB0F>6eF4^j+rs>Kx*K8HZZkm8VTAjKm+M*0Hi5n546O;!RPr4fB(Q~{R5}R&KSe?!X5`uS5-%&gx(zV9Q7W)`16;qiZBz5ecV|G;U@!U_HZ zrxl<6MP3-s_MR{sIihJMNb literal 0 HcmV?d00001 diff --git a/tests/structure/data/alphabet/README.rst b/tests/structure/data/alphabet/README.rst index 50fe5bc94..afb292bd2 100644 --- a/tests/structure/data/alphabet/README.rst +++ b/tests/structure/data/alphabet/README.rst @@ -22,4 +22,10 @@ Protein Blocks sequences Only one sequence is available in `pb.fasta`, that is taken from `https://pbxplore.readthedocs.io/en/latest/PBassign.html`. -`1ay7.bcif` contains the corresponding structure. \ No newline at end of file +`1ay7.bcif` contains the corresponding structure. + +CLePAPS sequences +----------------- + +The CLePAPS sequences in `clepaps.fasta` were taken from +`presentation slides `_. diff --git a/tests/structure/data/alphabet/clepaps.fasta b/tests/structure/data/alphabet/clepaps.fasta new file mode 100644 index 000000000..7edd7291c --- /dev/null +++ b/tests/structure/data/alphabet/clepaps.fasta @@ -0,0 +1,4 @@ +>1mol_A +RRFEDECCGAIHHHHHHHHHHHHHHHOMICQEECBLDFQNBFEEEEFEQNNGCPLDDEEEDEEENOGCEDEEEEEEPKKOGFEDPLDEQBGCCR +>1cew_I +RRCECECAJGBIHHHHHHHHIHHHIGGBLDFFCPLDPLEEFEDPOLCEEEEEEDEFDEAGCAKLAJGKHHIMNGKLQQQDEEEDEEEEEBPKKOGEEDPLEEER diff --git a/tests/structure/test_clepaps.py b/tests/structure/test_clepaps.py new file mode 100644 index 000000000..a9d74cb7a --- /dev/null +++ b/tests/structure/test_clepaps.py @@ -0,0 +1,82 @@ +from pathlib import Path +import numpy as np +import pytest +import biotite.sequence.io.fasta as fasta +import biotite.structure as struc +import biotite.structure.alphabet as strucalph +import biotite.structure.io.pdbx as pdbx +from tests.util import data_dir + + +def _get_ref_3di_sequence(pdb_id, chain_id): + """ + Get the reference CLePAPS sequence for the the structure with the given + PDB ID and chain ID. + """ + ref_3di_file = fasta.FastaFile.read( + Path(data_dir("structure")) / "alphabet" / "clepaps.fasta" + ) + return strucalph.ClepapsSequence(ref_3di_file[f"{pdb_id.lower()}_{chain_id}"]) + + +@pytest.mark.parametrize("pdb_id, chain_id", [("1mol", "A"), ("1cew", "I")]) +def test_to_clepaps(pdb_id, chain_id): + """ + Test the structure conversion to CLePAPS based on a reference example from + presentation slides. + """ + pdbx_file = pdbx.BinaryCIFFile.read( + Path(data_dir("structure")) / "alphabet" / f"{pdb_id}.bcif" + ) + atoms = pdbx.get_structure(pdbx_file, model=1) + atoms = atoms[struc.filter_amino_acids(atoms)] + chain = atoms[atoms.chain_id == chain_id] + test_sequences, _ = strucalph.to_clepaps(chain) + + ref_sequence = _get_ref_3di_sequence(pdb_id, chain_id) + + # Only a single chain was used as input -> expect only one sequence + assert len(test_sequences) == 1 + assert str(test_sequences[0]) == str(ref_sequence) + + +@pytest.mark.parametrize("pdb_id, chain_id", [("1mol", "A"), ("1cew", "I")]) +def test_missing_residues(pdb_id, chain_id): + """ + Like, `test_to_clepaps()`, but in some residues backbone atoms are missing. + Expect that these and adjacent residues get the unknown symbol 'R' in the + CLePAPs sequence. + """ + N_DELETIONS = 5 + # The 'R' symbol + UKNOWN_SYMBOL = strucalph.ClepapsSequence.unknown_symbol + + pdbx_file = pdbx.BinaryCIFFile.read( + Path(data_dir("structure")) / "alphabet" / f"{pdb_id}.bcif" + ) + atoms = pdbx.get_structure(pdbx_file, model=1) + atoms = atoms[struc.filter_amino_acids(atoms)] + chain = atoms[atoms.chain_id == chain_id] + + # Randomly delete some backbone atoms + rng = np.random.default_rng(1) + del_backbone_residue_ids = rng.choice( + np.unique(chain.res_id), N_DELETIONS, replace=False + ) + chain = chain[ + ~np.isin(chain.res_id, del_backbone_residue_ids) | ~(chain.atom_name == "CA") + ] + + test_sequences = strucalph.to_clepaps(chain) + + # Apply the same deletions to the reference sequence + ref_sequence, _ = strucalph.to_clepaps(chain) + for res_id in del_backbone_residue_ids: + seq_index = res_id - chain.res_id[0] + # Convert the symbol for residue and adjacent ones to 'R' + start_index = max(0, seq_index - 2) + end_index = min(len(ref_sequence), seq_index + 1) + ref_sequence[start_index : end_index + 1] = UKNOWN_SYMBOL + + assert len(test_sequences) == 1 + assert str(test_sequences[0]) == str(ref_sequence)