From 00235046b88ed82975261c03315c90deefd6a790 Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Mon, 20 Jan 2025 14:47:21 +1100 Subject: [PATCH 1/8] add nobatch --- openff/evaluator/_tests/test_server.py | 62 +++++++++++--------------- openff/evaluator/client/client.py | 3 ++ openff/evaluator/server/server.py | 23 ++++++++++ 3 files changed, 52 insertions(+), 36 deletions(-) diff --git a/openff/evaluator/_tests/test_server.py b/openff/evaluator/_tests/test_server.py index 58ff827c..ce8bcbc6 100644 --- a/openff/evaluator/_tests/test_server.py +++ b/openff/evaluator/_tests/test_server.py @@ -3,6 +3,8 @@ """ import tempfile +import os +import pytest from time import sleep from openff.units import unit @@ -106,7 +108,8 @@ def test_launch_batch(): assert len(batch.unsuccessful_properties) == 1 -def test_same_component_batching(): +@pytest.fixture +def c_o_dataset(): thermodynamic_state = ThermodynamicState( temperature=1.0 * unit.kelvin, pressure=1.0 * unit.atmosphere ) @@ -134,16 +137,25 @@ def test_same_component_batching(): value=0.0 * unit.kilojoule / unit.mole, ), ) + return data_set + +@pytest.fixture +def dataset_submission(c_o_dataset): options = RequestOptions() submission = EvaluatorClient._Submission() - submission.dataset = data_set + submission.dataset = c_o_dataset submission.options = options + return submission + + +def test_same_component_batching(dataset_submission, tmp_path): + os.chdir(tmp_path) with DaskLocalCluster() as calculation_backend: server = EvaluatorServer(calculation_backend) - batches = server._batch_by_same_component(submission, "") + batches = server._batch_by_same_component(dataset_submission, "") assert len(batches) == 2 @@ -151,44 +163,22 @@ def test_same_component_batching(): assert len(batches[1].queued_properties) == 2 -def test_shared_component_batching(): - thermodynamic_state = ThermodynamicState( - temperature=1.0 * unit.kelvin, pressure=1.0 * unit.atmosphere - ) - - data_set = PhysicalPropertyDataSet() - data_set.add_properties( - Density( - thermodynamic_state=thermodynamic_state, - substance=Substance.from_components("O", "C"), - value=0.0 * unit.kilogram / unit.meter**3, - ), - EnthalpyOfVaporization( - thermodynamic_state=thermodynamic_state, - substance=Substance.from_components("O", "C"), - value=0.0 * unit.kilojoule / unit.mole, - ), - Density( - thermodynamic_state=thermodynamic_state, - substance=Substance.from_components("O", "CO"), - value=0.0 * unit.kilogram / unit.meter**3, - ), - EnthalpyOfVaporization( - thermodynamic_state=thermodynamic_state, - substance=Substance.from_components("O", "CO"), - value=0.0 * unit.kilojoule / unit.mole, - ), - ) +def test_shared_component_batching(dataset_submission, tmp_path): + os.chdir(tmp_path) + with DaskLocalCluster() as calculation_backend: + server = EvaluatorServer(calculation_backend) + batches = server._batch_by_shared_component(dataset_submission, "") - options = RequestOptions() + assert len(batches) == 1 + assert len(batches[0].queued_properties) == 4 - submission = EvaluatorClient._Submission() - submission.dataset = data_set - submission.options = options +def test_nobatching(dataset_submission, tmp_path): + os.chdir(tmp_path) with DaskLocalCluster() as calculation_backend: server = EvaluatorServer(calculation_backend) - batches = server._batch_by_shared_component(submission, "") + batches = server._no_batch(dataset_submission, "") assert len(batches) == 1 assert len(batches[0].queued_properties) == 4 + assert batches[0].id == "batch_0000" diff --git a/openff/evaluator/client/client.py b/openff/evaluator/client/client.py index 30dad9e7..d2956ca2 100644 --- a/openff/evaluator/client/client.py +++ b/openff/evaluator/client/client.py @@ -83,6 +83,8 @@ class BatchMode(Enum): common component will be batched together. E.g.The densities of 80:20 and 20:80 mixtures of ethanol and water, and the pure densities of ethanol and water would be batched together. + * NoBatch: No batching will be performed. Each property will be estimated in a + single, sequentially-increasing batch. Properties will only be marked as estimated by the server when all properties in a single batch are completed. @@ -90,6 +92,7 @@ class BatchMode(Enum): SameComponents = "SameComponents" SharedComponents = "SharedComponents" + NoBatch = "NoBatch" class Request(AttributeClass): diff --git a/openff/evaluator/server/server.py b/openff/evaluator/server/server.py index b6483e17..361f0814 100644 --- a/openff/evaluator/server/server.py +++ b/openff/evaluator/server/server.py @@ -266,6 +266,27 @@ def _query_request_status(self, client_request_id): request_results.exceptions.extend(batch.exceptions) return request_results, None + + def _no_batch(self, submission, force_field_id): + """Returns a single Batch.""" + + reserved_batch_ids = { + *self._queued_batches.keys(), + *self._finished_batches.keys(), + } + batch = Batch() + batch.force_field_id = force_field_id + batch.enable_data_caching = self._enable_data_caching + batch.queued_properties = list(submission.dataset.properties) + batch.options = RequestOptions.parse_json(submission.options.json()) + batch.parameter_gradient_keys = copy.deepcopy(submission.parameter_gradient_keys) + + n_batchs = len(reserved_batch_ids) + batch.id = f"batch_{n_batchs:04d}" + while batch.id in reserved_batch_ids: + n_batchs += 1 + batch.id = f"batch_{n_batchs:04d}" + return [batch] def _batch_by_same_component(self, submission, force_field_id): """Batches a set of requested properties based on which substance they were @@ -434,6 +455,8 @@ def _prepare_batches(self, submission, request_id): batches = self._batch_by_same_component(submission, force_field_id) elif batch_mode == BatchMode.SharedComponents: batches = self._batch_by_shared_component(submission, force_field_id) + elif batch_mode == BatchMode.NoBatch: + batches = self._no_batch(submission, force_field_id) else: raise NotImplementedError() From 1ff28269e6bbcd7febc822118f4418a0d523e8e1 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 20 Jan 2025 03:49:18 +0000 Subject: [PATCH 2/8] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- openff/evaluator/_tests/test_server.py | 4 ++-- openff/evaluator/server/server.py | 6 ++++-- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/openff/evaluator/_tests/test_server.py b/openff/evaluator/_tests/test_server.py index ce8bcbc6..4caa9f40 100644 --- a/openff/evaluator/_tests/test_server.py +++ b/openff/evaluator/_tests/test_server.py @@ -2,11 +2,11 @@ Units tests for the openff.evaluator.server module. """ -import tempfile import os -import pytest +import tempfile from time import sleep +import pytest from openff.units import unit from openff.evaluator._tests.utils import create_dummy_property diff --git a/openff/evaluator/server/server.py b/openff/evaluator/server/server.py index 361f0814..352fe73b 100644 --- a/openff/evaluator/server/server.py +++ b/openff/evaluator/server/server.py @@ -266,7 +266,7 @@ def _query_request_status(self, client_request_id): request_results.exceptions.extend(batch.exceptions) return request_results, None - + def _no_batch(self, submission, force_field_id): """Returns a single Batch.""" @@ -279,7 +279,9 @@ def _no_batch(self, submission, force_field_id): batch.enable_data_caching = self._enable_data_caching batch.queued_properties = list(submission.dataset.properties) batch.options = RequestOptions.parse_json(submission.options.json()) - batch.parameter_gradient_keys = copy.deepcopy(submission.parameter_gradient_keys) + batch.parameter_gradient_keys = copy.deepcopy( + submission.parameter_gradient_keys + ) n_batchs = len(reserved_batch_ids) batch.id = f"batch_{n_batchs:04d}" From 3d9f043756a9e3273c07cad14fdf92a5fcd87fa3 Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Tue, 21 Jan 2025 12:01:53 +1100 Subject: [PATCH 3/8] add fix --- openff/evaluator/layers/layers.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/openff/evaluator/layers/layers.py b/openff/evaluator/layers/layers.py index 92d260e5..581c5851 100644 --- a/openff/evaluator/layers/layers.py +++ b/openff/evaluator/layers/layers.py @@ -5,6 +5,7 @@ import abc import collections import logging +import math from os import path from openff.units import unit @@ -305,6 +306,9 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac returned_output.physical_property.__class__.__name__ ][layer_name] + input_uncertainty = matches[0].uncertainty + if input_uncertainty == UNDEFINED: + input_uncertainty = math.inf * matches[0].value.unit if ( options.absolute_tolerance != UNDEFINED and options.absolute_tolerance < uncertainty @@ -312,7 +316,7 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac continue elif ( options.relative_tolerance != UNDEFINED - and options.relative_tolerance * uncertainty < uncertainty + and options.relative_tolerance * input_uncertainty < uncertainty ): continue From 5ae8e0f4fd26c335cf2f83c79c560b9a3d2014e8 Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Tue, 21 Jan 2025 12:02:07 +1100 Subject: [PATCH 4/8] add helper test functions --- openff/evaluator/_tests/utils.py | 59 ++++++++++++++++++++++++++++++++ 1 file changed, 59 insertions(+) diff --git a/openff/evaluator/_tests/utils.py b/openff/evaluator/_tests/utils.py index d33c32e0..80788fb7 100644 --- a/openff/evaluator/_tests/utils.py +++ b/openff/evaluator/_tests/utils.py @@ -1,9 +1,13 @@ import os +import pathlib +import shutil import uuid from contextlib import contextmanager from openff.units import unit +from openff.utilities.utilities import get_data_dir_path +from openff.toolkit import ForceField from openff.evaluator.datasets import ( CalculationSource, PhysicalPropertyDataSet, @@ -238,3 +242,58 @@ def build_tip3p_smirnoff_force_field(): ) return SmirnoffForceFieldSource.from_object(smirnoff_force_field_with_tip3p) + + +def _write_force_field(force_field: str = "openff-2.0.0.offxml"): + """ + Write a force field file to disk. + """ + ff = ForceField(force_field) + with open("force-field.json", "w") as file: + file.write(SmirnoffForceFieldSource.from_object(ff).json()) + + +def _copy_property_working_data( + source_directory: str, + uuid_prefix: str | list[str], + destination_directory: str = ".", + include_data_files: bool = False, +): + """ + Copy test data from one directory to another. + This is typically working data in a *Layer directory. + + Parameters + ---------- + source_directory : str + The directory to copy data from. + This should be relative to to the data directory. + For tests, the path will typically start with `test`. + uuid_prefix : str or list[str] + The prefix of the UUID/s to copy. + destination_directory : str + The directory to copy data to. + This should be relative to the current working directory. + Default is the current working directory. + """ + if isinstance(uuid_prefix, str): + uuid_prefix = [uuid_prefix] + + # locate our saved test data + data_directory = pathlib.Path( + get_data_dir_path( + source_directory, "openff.evaluator" + ) + ) + abs_path = data_directory.resolve() + destination_directory = pathlib.Path(destination_directory) + + # copy data files over from data_directory + for path in abs_path.iterdir(): + if path.name.startswith(tuple(uuid_prefix)) and path.is_dir(): + dest_dir = destination_directory / path.name + shutil.copytree(path, dest_dir) + + if include_data_files: + for path in abs_path.glob("data*.json"): + shutil.copy(path, destination_directory) From d1a94cb7807ed040ff847722150a328610505d42 Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Tue, 21 Jan 2025 12:22:06 +1100 Subject: [PATCH 5/8] add test data --- .../_tests/test_full_workflows/conftest.py | 56 + .../test_full_workflows/test_simulation.py | 187 + .../0|decorrelate_observables_output.json | 1 + .../0|decorrelate_trajectory_output.json | 1 + .../uncorrelated_trajectory.dcd | 1 + .../1|add_component_observables_output.json | 1 + ...|build_coordinates_component_0_output.json | 1 + .../output.pdb | 6150 +++++++++++ ...|build_coordinates_component_1_output.json | 1 + .../output.pdb | 774 ++ .../1|build_coordinates_mixture_output.json | 1 + .../1_build_coordinates_mixture/output.pdb | 3463 +++++++ .../1|calculate_excess_observable_output.json | 1 + .../0|average_density_output.json | 1 + ...extract_observable_component_0_output.json | 1 + ...duction_simulation_component_0_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 9232 +++++++++++++++++ .../input.pdb | 6148 +++++++++++ .../openmm_statistics.csv | 501 + .../output.pdb | 6148 +++++++++++ .../trajectory.dcd | 1 + .../1|weight_by_mole_fraction_0_output.json | 1 + ...|conditional_group_component_0_output.json | 1 + .../checkpoint.json | 1 + ...extract_observable_component_1_output.json | 1 + ...duction_simulation_component_1_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 2320 +++++ .../input.pdb | 772 ++ .../openmm_statistics.csv | 501 + .../output.pdb | 772 ++ .../trajectory.dcd | 1 + .../1|weight_by_mole_fraction_1_output.json | 1 + ...|conditional_group_component_1_output.json | 1 + .../checkpoint.json | 1 + .../1|extract_observable_mixture_output.json | 1 + ...|production_simulation_mixture_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 5776 +++++++++++ .../1_production_simulation_mixture/input.pdb | 3461 ++++++ .../openmm_statistics.csv | 501 + .../output.pdb | 3461 ++++++ .../trajectory.dcd | 1 + .../1|conditional_group_mixture_output.json | 1 + .../checkpoint.json | 1 + ...relate_observables_component_0_output.json | 1 + ...relate_observables_component_1_output.json | 1 + ...ecorrelate_observables_mixture_output.json | 1 + ...rrelate_trajectory_component_0_output.json | 1 + .../uncorrelated_trajectory.dcd | 1 + ...rrelate_trajectory_component_1_output.json | 1 + .../uncorrelated_trajectory.dcd | 1 + ...decorrelate_trajectory_mixture_output.json | 1 + .../uncorrelated_trajectory.dcd | 1 + ...nergy_minimisation_component_0_output.json | 1 + .../minimised.pdb | 6148 +++++++++++ ...nergy_minimisation_component_1_output.json | 1 + .../minimised.pdb | 772 ++ .../1|energy_minimisation_mixture_output.json | 1 + .../minimised.pdb | 3461 ++++++ ...bration_simulation_component_0_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 9232 +++++++++++++++++ .../input.pdb | 6148 +++++++++++ .../openmm_statistics.csv | 21 + .../output.pdb | 6148 +++++++++++ .../trajectory.dcd | 1 + ...bration_simulation_component_1_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 2320 +++++ .../input.pdb | 772 ++ .../openmm_statistics.csv | 21 + .../output.pdb | 772 ++ .../trajectory.dcd | 1 + ...uilibration_simulation_mixture_output.json | 1 + .../checkpoint.json | 1 + .../checkpoint_state.xml | 5776 +++++++++++ .../input.pdb | 3461 ++++++ .../openmm_statistics.csv | 21 + .../output.pdb | 3461 ++++++ .../trajectory.dcd | 1 + .../simulation/dhmix-density-CCCO/README.md | 5 + .../d3e0369bce4a4fbfbd22e4dd80f21c2b | 1 + .../simulation/dhmix-density-CCCO/test-sim.py | 135 + 85 files changed, 98948 insertions(+) create mode 100644 openff/evaluator/_tests/test_full_workflows/conftest.py create mode 100644 openff/evaluator/_tests/test_full_workflows/test_simulation.py create mode 100644 openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/0_decorrelate_observables/0|decorrelate_observables_output.json create mode 100644 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openff.evaluator.properties import Density, EnthalpyOfMixing +from openff.evaluator.substances import Substance +from openff.evaluator.thermodynamics import ThermodynamicState + +@pytest.fixture +def dummy_enthalpy_of_mixing(): + thermodynamic_state = ThermodynamicState( + temperature=298.15 * unit.kelvin, + pressure=101.325 * unit.kilopascal, + ) + + return EnthalpyOfMixing( + thermodynamic_state=thermodynamic_state, + phase=PropertyPhase.Liquid, + value=1.0 * EnthalpyOfMixing.default_unit(), + uncertainty=1.0 * EnthalpyOfMixing.default_unit(), + source=MeasurementSource(doi=" "), + substance=Substance.from_components("CCCO", "O"), + ) + +@pytest.fixture +def dummy_density(): + thermodynamic_state = ThermodynamicState( + temperature=298.15 * unit.kelvin, + pressure=101.325 * unit.kilopascal, + ) + + return Density( + thermodynamic_state=thermodynamic_state, + phase=PropertyPhase.Liquid, + value=1.0 * Density.default_unit(), + uncertainty=1.0 * Density.default_unit(), + source=MeasurementSource(doi=" "), + substance=Substance.from_components("CCCO"), + ) + +@pytest.fixture +def dummy_dataset(dummy_density, dummy_enthalpy_of_mixing): + dataset = PhysicalPropertyDataSet() + dataset.add_properties( + dummy_density, + dummy_enthalpy_of_mixing + ) + + for i, prop in enumerate(dataset.properties): + prop.id = f"{i}" + return dataset diff --git a/openff/evaluator/_tests/test_full_workflows/test_simulation.py b/openff/evaluator/_tests/test_full_workflows/test_simulation.py new file mode 100644 index 00000000..849a445e --- /dev/null +++ b/openff/evaluator/_tests/test_full_workflows/test_simulation.py @@ -0,0 +1,187 @@ +import os +import pathlib +import shutil + +import pytest + +from openff.utilities.utilities import get_data_dir_path + +from openff.evaluator.attributes.attributes import UNDEFINED +from openff.evaluator.layers.simulation import SimulationLayer +from openff.evaluator.storage.localfile import LocalFileStorage +from openff.evaluator.backends.dask import DaskLocalCluster +from openff.evaluator.properties import Density, EnthalpyOfMixing +from openff.evaluator.server.server import Batch, EvaluatorServer +from openff.evaluator.client import EvaluatorClient, RequestOptions, BatchMode +from openff.evaluator.forcefield import SmirnoffForceFieldSource +from openff.evaluator._tests.utils import _write_force_field, _copy_property_working_data + +from openff.evaluator.workflow import Workflow + +from openff.utilities.utilities import get_data_dir_path + + +def _get_simulation_request_options( + n_molecules: int = 256, + +): + dhmix_schema = EnthalpyOfMixing.default_simulation_schema( + n_molecules=n_molecules, + relative_tolerance=0.2, + ) + density_schema = Density.default_simulation_schema( + n_molecules=n_molecules, + relative_tolerance=0.2, + ) + + options = RequestOptions() + options.calculation_layers = ["SimulationLayer"] + + options.add_schema( + "SimulationLayer", + "Density", + density_schema, + ) + options.add_schema( + "SimulationLayer", + "EnthalpyOfMixing", + dhmix_schema, + ) + return options + +class TestSimulationLayer: + + @pytest.fixture + def dhmix_density_CCCO(self, tmp_path_factory): + path = tmp_path_factory.mktemp("dhmix-density-CCCO") + path.mkdir(exist_ok=True, parents=True) + + _copy_property_working_data( + "test/workflows/simulation/dhmix-density-CCCO", + uuid_prefix=["0", "1"], + destination_directory=path + ) + return path + + def test_simulation(self, dummy_enthalpy_of_mixing, dhmix_density_CCCO): + """ + Test direct execution of an EnthalpyOfMixing protocol + """ + os.chdir(dhmix_density_CCCO) + + _write_force_field() + schema = EnthalpyOfMixing.default_simulation_schema( + n_molecules=256, + relative_tolerance=0.2, + ) + + metadata = Workflow.generate_default_metadata( + dummy_enthalpy_of_mixing, "force-field.json" + ) + metadata.update( + SimulationLayer._get_workflow_metadata( + ".", + dummy_enthalpy_of_mixing, + "force-field.json", + [], + LocalFileStorage(), + schema, + ) + ) + + + workflow_schema = schema.workflow_schema + workflow_schema.replace_protocol_types( + {"BaseBuildSystem": "BuildSmirnoffSystem"} + ) + uuid_prefix = "1" + workflow = Workflow.from_schema( + workflow_schema, metadata=metadata, unique_id=uuid_prefix + ) + workflow_graph = workflow.to_graph() + protocol_graph = workflow_graph._protocol_graph + + previous_output_paths = [] + + for name, protocol in workflow_graph.protocols.items(): + path = name.replace("|", "_") + if "conditional" not in name: + output = protocol_graph._execute_protocol( + path, + protocol, + True, + *previous_output_paths, + available_resources=None, + safe_exceptions=False, + ) + previous_output_paths.append(output) + + # delete existing output so we can re-create it + pattern = "*conditional*/*conditional*output.json" + for file in pathlib.Path(".").rglob(pattern): + file.unlink() + + for name, protocol in workflow_graph.protocols.items(): + path = name.replace("|", "_") + if "conditional" in name: + output = protocol_graph._execute_protocol( + path, + protocol, + True, + *previous_output_paths, + available_resources=None, + safe_exceptions=False, + ) + previous_output_paths.append(output) + + + def test_simulation_with_server(self, dummy_dataset, dhmix_density_CCCO): + """ + Test the full workflow with a server + """ + force_field_path = "openff-2.1.0.offxml" + force_field_source = SmirnoffForceFieldSource.from_path( + force_field_path + ) + + os.chdir(dhmix_density_CCCO) + options = _get_simulation_request_options( + n_molecules=256, + ) + options.batch_mode = BatchMode.NoBatch + + batch_path = pathlib.Path("SimulationLayer") / "batch_0000" + batch_path.mkdir(parents=True, exist_ok=True) + _copy_property_working_data( + "test/workflows/simulation/dhmix-density-CCCO", + uuid_prefix="0", + destination_directory=batch_path + ) + _copy_property_working_data( + "test/workflows/simulation/dhmix-density-CCCO", + uuid_prefix="1", + destination_directory=batch_path + ) + + with DaskLocalCluster(number_of_workers=1) as calculation_backend: + server = EvaluatorServer( + calculation_backend=calculation_backend, + working_directory=".", + delete_working_files=False + ) + with server: + client = EvaluatorClient() + request, error = client.request_estimate( + dummy_dataset, + force_field_source, + options + ) + + assert error is None + results, exception = request.results(synchronous=True, polling_interval=30) + + assert exception is None + assert len(results.queued_properties) == 0 + assert len(results.estimated_properties) == 2 + assert len(results.unsuccessful_properties) == 0 + assert len(results.exceptions) == 0 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/0_decorrelate_observables/0|decorrelate_observables_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/0_decorrelate_observables/0|decorrelate_observables_output.json new file mode 100644 index 00000000..f51b6eb9 --- /dev/null +++ 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b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_0/1|build_coordinates_component_0_output.json @@ -0,0 +1 @@ +{".output_number_of_molecules": 256, ".output_substance": {"components": [{"smiles": "CCCO", "role": {"value": "solv", "@type": "openff.evaluator.substances.components.Component.Role"}, "@type": "openff.evaluator.substances.components.Component"}], "amounts": {"CCCO{solv}": [{"value": 1.0, "@type": "openff.evaluator.substances.amounts.MoleFraction"}]}, "@type": "openff.evaluator.substances.substances.Substance"}, ".assigned_residue_names": {"CCCO{solv}": "UFX"}, ".coordinate_file_path": "1_build_coordinates_component_0/output.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_0/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_0/output.pdb new file mode 100644 index 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6.293 21.702 29.354 1.00 0.00 H +ATOM 35 H7 UFX A 3 5.160 21.754 30.719 1.00 0.00 H +ATOM 36 H8 UFX A 3 7.765 22.952 30.697 1.00 0.00 H +ATOM 37 C1 UFX A 4 5.141 23.464 25.073 1.00 0.00 C +ATOM 38 C2 UFX A 4 5.238 22.776 23.722 1.00 0.00 C +ATOM 39 C3 UFX A 4 5.632 23.833 22.687 1.00 0.00 C +ATOM 40 O1 UFX A 4 4.703 24.839 22.622 1.00 0.00 O +ATOM 41 H1 UFX A 4 6.166 23.769 25.331 1.00 0.00 H +ATOM 42 H2 UFX A 4 4.433 24.315 25.031 1.00 0.00 H +ATOM 43 H3 UFX A 4 4.730 22.744 25.801 1.00 0.00 H +ATOM 44 H4 UFX A 4 5.978 21.985 23.800 1.00 0.00 H +ATOM 45 H5 UFX A 4 4.273 22.359 23.414 1.00 0.00 H +ATOM 46 H6 UFX A 4 5.878 23.328 21.748 1.00 0.00 H +ATOM 47 H7 UFX A 4 6.577 24.279 23.073 1.00 0.00 H +ATOM 48 H8 UFX A 4 3.972 24.693 21.948 1.00 0.00 H +ATOM 49 C1 UFX A 5 14.089 28.374 6.627 1.00 0.00 C +ATOM 50 C2 UFX A 5 15.167 28.985 7.505 1.00 0.00 C +ATOM 51 C3 UFX A 5 14.508 29.423 8.817 1.00 0.00 C +ATOM 52 O1 UFX A 5 13.521 30.348 8.595 1.00 0.00 O +ATOM 53 H1 UFX A 5 13.778 27.447 7.130 1.00 0.00 H +ATOM 54 H2 UFX A 5 13.255 29.087 6.476 1.00 0.00 H +ATOM 55 H3 UFX A 5 14.523 28.177 5.632 1.00 0.00 H +ATOM 56 H4 UFX A 5 15.935 28.234 7.666 1.00 0.00 H +ATOM 57 H5 UFX A 5 15.604 29.878 7.044 1.00 0.00 H +ATOM 58 H6 UFX A 5 15.293 29.701 9.527 1.00 0.00 H +ATOM 59 H7 UFX A 5 14.018 28.506 9.216 1.00 0.00 H +ATOM 60 H8 UFX A 5 13.828 31.305 8.623 1.00 0.00 H +ATOM 61 C1 UFX A 6 15.863 25.300 2.599 1.00 0.00 C +ATOM 62 C2 UFX A 6 15.574 25.764 1.183 1.00 0.00 C +ATOM 63 C3 UFX A 6 14.068 25.620 0.941 1.00 0.00 C +ATOM 64 O1 UFX A 6 13.662 24.320 1.087 1.00 0.00 O +ATOM 65 H1 UFX A 6 15.381 26.034 3.263 1.00 0.00 H +ATOM 66 H2 UFX A 6 15.495 24.267 2.757 1.00 0.00 H +ATOM 67 H3 UFX A 6 16.956 25.274 2.740 1.00 0.00 H +ATOM 68 H4 UFX A 6 15.904 26.796 1.093 1.00 0.00 H +ATOM 69 H5 UFX A 6 16.086 25.140 0.443 1.00 0.00 H +ATOM 70 H6 UFX A 6 13.817 26.112 -0.003 1.00 0.00 H +ATOM 71 H7 UFX A 6 13.586 26.211 1.754 1.00 0.00 H +ATOM 72 H8 UFX A 6 13.681 23.776 0.242 1.00 0.00 H +ATOM 73 C1 UFX A 7 22.051 7.232 19.513 1.00 0.00 C +ATOM 74 C2 UFX A 7 21.734 7.529 20.968 1.00 0.00 C +ATOM 75 C3 UFX A 7 22.096 6.288 21.788 1.00 0.00 C +ATOM 76 O1 UFX A 7 21.380 5.193 21.378 1.00 0.00 O +ATOM 77 H1 UFX A 7 23.146 7.143 19.454 1.00 0.00 H +ATOM 78 H2 UFX A 7 21.523 6.320 19.174 1.00 0.00 H +ATOM 79 H3 UFX A 7 21.672 8.066 18.898 1.00 0.00 H +ATOM 80 H4 UFX A 7 22.312 8.399 21.268 1.00 0.00 H +ATOM 81 H5 UFX A 7 20.665 7.719 21.115 1.00 0.00 H +ATOM 82 H6 UFX A 7 22.041 6.542 22.851 1.00 0.00 H +ATOM 83 H7 UFX A 7 23.167 6.089 21.555 1.00 0.00 H +ATOM 84 H8 UFX A 7 20.511 5.054 21.862 1.00 0.00 H +ATOM 85 C1 UFX A 8 27.275 23.840 18.267 1.00 0.00 C +ATOM 86 C2 UFX A 8 26.385 24.942 17.721 1.00 0.00 C +ATOM 87 C3 UFX A 8 25.985 24.556 16.294 1.00 0.00 C +ATOM 88 O1 UFX A 8 27.084 24.416 15.488 1.00 0.00 O +ATOM 89 H1 UFX A 8 26.633 22.953 18.366 1.00 0.00 H +ATOM 90 H2 UFX A 8 28.146 23.673 17.602 1.00 0.00 H +ATOM 91 H3 UFX A 8 27.677 24.168 19.241 1.00 0.00 H +ATOM 92 H4 UFX A 8 25.523 25.033 18.376 1.00 0.00 H +ATOM 93 H5 UFX A 8 26.917 25.898 17.665 1.00 0.00 H +ATOM 94 H6 UFX A 8 25.207 25.244 15.951 1.00 0.00 H +ATOM 95 H7 UFX A 8 25.512 23.551 16.387 1.00 0.00 H +ATOM 96 H8 UFX A 8 27.361 25.253 15.006 1.00 0.00 H +ATOM 97 C1 UFX A 9 6.246 31.866 9.310 1.00 0.00 C +ATOM 98 C2 UFX A 9 7.519 31.567 10.082 1.00 0.00 C +ATOM 99 C3 UFX A 9 7.498 30.084 10.462 1.00 0.00 C +ATOM 100 O1 UFX A 9 6.411 29.784 11.241 1.00 0.00 O +ATOM 101 H1 UFX A 9 6.329 31.313 8.363 1.00 0.00 H +ATOM 102 H2 UFX A 9 5.353 31.582 9.900 1.00 0.00 H +ATOM 103 H3 UFX A 9 6.186 32.956 9.146 1.00 0.00 H +ATOM 104 H4 UFX A 9 8.364 31.813 9.445 1.00 0.00 H +ATOM 105 H5 UFX A 9 7.570 32.144 11.013 1.00 0.00 H +ATOM 106 H6 UFX A 9 8.479 29.811 10.861 1.00 0.00 H +ATOM 107 H7 UFX A 9 7.376 29.539 9.498 1.00 0.00 H +ATOM 108 H8 UFX A 9 6.567 29.864 12.230 1.00 0.00 H +ATOM 109 C1 UFX A 10 31.279 13.817 10.266 1.00 0.00 C +ATOM 110 C2 UFX A 10 31.894 13.478 8.920 1.00 0.00 C +ATOM 111 C3 UFX A 10 31.550 14.611 7.949 1.00 0.00 C +ATOM 112 O1 UFX A 10 30.194 14.752 7.808 1.00 0.00 O +ATOM 113 H1 UFX A 10 31.820 14.701 10.633 1.00 0.00 H +ATOM 114 H2 UFX A 10 30.189 13.987 10.167 1.00 0.00 H +ATOM 115 H3 UFX A 10 31.406 12.949 10.935 1.00 0.00 H +ATOM 116 H4 UFX A 10 32.967 13.371 9.058 1.00 0.00 H +ATOM 117 H5 UFX A 10 31.475 12.553 8.507 1.00 0.00 H +ATOM 118 H6 UFX A 10 32.129 14.473 7.031 1.00 0.00 H +ATOM 119 H7 UFX A 10 31.930 15.537 8.438 1.00 0.00 H +ATOM 120 H8 UFX A 10 29.791 14.213 7.062 1.00 0.00 H +ATOM 121 C1 UFX A 11 30.471 30.879 25.933 1.00 0.00 C +ATOM 122 C2 UFX A 11 29.936 32.239 26.343 1.00 0.00 C +ATOM 123 C3 UFX A 11 28.454 32.072 26.694 1.00 0.00 C +ATOM 124 O1 UFX A 11 27.738 31.603 25.623 1.00 0.00 O +ATOM 125 H1 UFX A 11 30.446 30.257 26.840 1.00 0.00 H +ATOM 126 H2 UFX A 11 29.874 30.456 25.102 1.00 0.00 H +ATOM 127 H3 UFX A 11 31.498 31.010 25.552 1.00 0.00 H +ATOM 128 H4 UFX A 11 30.518 32.588 27.191 1.00 0.00 H +ATOM 129 H5 UFX A 11 29.999 32.961 25.521 1.00 0.00 H +ATOM 130 H6 UFX A 11 28.098 32.997 27.157 1.00 0.00 H +ATOM 131 H7 UFX A 11 28.430 31.283 27.480 1.00 0.00 H +ATOM 132 H8 UFX A 11 27.347 32.317 25.034 1.00 0.00 H +ATOM 133 C1 UFX A 12 17.851 14.421 6.027 1.00 0.00 C +ATOM 134 C2 UFX A 12 19.052 14.072 6.888 1.00 0.00 C +ATOM 135 C3 UFX A 12 18.545 13.290 8.103 1.00 0.00 C +ATOM 136 O1 UFX A 12 17.656 14.030 8.838 1.00 0.00 O +ATOM 137 H1 UFX A 12 17.473 13.467 5.633 1.00 0.00 H +ATOM 138 H2 UFX A 12 17.094 14.976 6.616 1.00 0.00 H +ATOM 139 H3 UFX A 12 18.185 15.097 5.222 1.00 0.00 H +ATOM 140 H4 UFX A 12 19.740 13.487 6.284 1.00 0.00 H +ATOM 141 H5 UFX A 12 19.553 14.972 7.264 1.00 0.00 H +ATOM 142 H6 UFX A 12 19.406 12.880 8.639 1.00 0.00 H +ATOM 143 H7 UFX A 12 17.985 12.426 7.678 1.00 0.00 H +ATOM 144 H8 UFX A 12 18.071 14.577 9.572 1.00 0.00 H +ATOM 145 C1 UFX A 13 18.070 24.715 6.326 1.00 0.00 C +ATOM 146 C2 UFX A 13 17.167 25.605 7.161 1.00 0.00 C +ATOM 147 C3 UFX A 13 15.729 25.106 6.990 1.00 0.00 C +ATOM 148 O1 UFX A 13 15.336 25.160 5.678 1.00 0.00 O +ATOM 149 H1 UFX A 13 18.039 23.723 6.799 1.00 0.00 H +ATOM 150 H2 UFX A 13 17.739 24.702 5.269 1.00 0.00 H +ATOM 151 H3 UFX A 13 19.086 25.144 6.335 1.00 0.00 H +ATOM 152 H4 UFX A 13 17.499 25.545 8.194 1.00 0.00 H +ATOM 153 H5 UFX A 13 17.196 26.645 6.817 1.00 0.00 H +ATOM 154 H6 UFX A 13 15.092 25.619 7.716 1.00 0.00 H +ATOM 155 H7 UFX A 13 15.758 24.032 7.283 1.00 0.00 H +ATOM 156 H8 UFX A 13 14.893 26.020 5.407 1.00 0.00 H +ATOM 157 C1 UFX A 14 9.366 13.391 15.645 1.00 0.00 C +ATOM 158 C2 UFX A 14 7.886 13.619 15.393 1.00 0.00 C +ATOM 159 C3 UFX A 14 7.646 15.130 15.347 1.00 0.00 C +ATOM 160 O1 UFX A 14 8.004 15.728 16.527 1.00 0.00 O +ATOM 161 H1 UFX A 14 9.886 13.750 14.745 1.00 0.00 H +ATOM 162 H2 UFX A 14 9.691 13.910 16.568 1.00 0.00 H +ATOM 163 H3 UFX A 14 9.528 12.313 15.812 1.00 0.00 H +ATOM 164 H4 UFX A 14 7.627 13.136 14.454 1.00 0.00 H +ATOM 165 H5 UFX A 14 7.272 13.214 16.205 1.00 0.00 H +ATOM 166 H6 UFX A 14 6.627 15.312 14.992 1.00 0.00 H +ATOM 167 H7 UFX A 14 8.337 15.510 14.560 1.00 0.00 H +ATOM 168 H8 UFX A 14 7.265 15.799 17.203 1.00 0.00 H +ATOM 169 C1 UFX A 15 25.139 0.435 24.702 1.00 0.00 C +ATOM 170 C2 UFX A 15 25.314 1.929 24.905 1.00 0.00 C +ATOM 171 C3 UFX A 15 24.010 2.477 25.493 1.00 0.00 C +ATOM 172 O1 UFX A 15 22.951 2.251 24.654 1.00 0.00 O +ATOM 173 H1 UFX A 15 25.059 -0.000 25.709 1.00 0.00 H +ATOM 174 H2 UFX A 15 24.256 0.225 24.068 1.00 0.00 H +ATOM 175 H3 UFX A 15 26.019 0.053 24.157 1.00 0.00 H +ATOM 176 H4 UFX A 15 26.158 2.082 25.572 1.00 0.00 H +ATOM 177 H5 UFX A 15 25.487 2.447 23.955 1.00 0.00 H +ATOM 178 H6 UFX A 15 24.176 3.511 25.809 1.00 0.00 H +ATOM 179 H7 UFX A 15 23.835 1.879 26.416 1.00 0.00 H +ATOM 180 H8 UFX A 15 22.770 2.990 23.997 1.00 0.00 H +ATOM 181 C1 UFX A 16 20.243 26.813 3.623 1.00 0.00 C +ATOM 182 C2 UFX A 16 21.513 27.518 3.180 1.00 0.00 C +ATOM 183 C3 UFX A 16 21.601 28.844 3.941 1.00 0.00 C +ATOM 184 O1 UFX A 16 20.520 29.643 3.677 1.00 0.00 O +ATOM 185 H1 UFX A 16 20.398 26.543 4.678 1.00 0.00 H +ATOM 186 H2 UFX A 16 19.359 27.462 3.466 1.00 0.00 H +ATOM 187 H3 UFX A 16 20.100 25.923 2.986 1.00 0.00 H +ATOM 188 H4 UFX A 16 22.354 26.865 3.400 1.00 0.00 H +ATOM 189 H5 UFX A 16 21.490 27.755 2.111 1.00 0.00 H +ATOM 190 H6 UFX A 16 22.589 29.280 3.770 1.00 0.00 H +ATOM 191 H7 UFX A 16 21.551 28.564 5.018 1.00 0.00 H +ATOM 192 H8 UFX A 16 20.640 30.272 2.902 1.00 0.00 H +ATOM 193 C1 UFX A 17 28.181 25.464 32.023 1.00 0.00 C +ATOM 194 C2 UFX A 17 27.926 26.686 31.158 1.00 0.00 C +ATOM 195 C3 UFX A 17 27.043 27.649 31.958 1.00 0.00 C +ATOM 196 O1 UFX A 17 25.848 27.068 32.291 1.00 0.00 O +ATOM 197 H1 UFX A 17 28.801 25.811 32.863 1.00 0.00 H +ATOM 198 H2 UFX A 17 27.226 25.007 32.348 1.00 0.00 H +ATOM 199 H3 UFX A 17 28.703 24.708 31.411 1.00 0.00 H +ATOM 200 H4 UFX A 17 28.887 27.127 30.908 1.00 0.00 H +ATOM 201 H5 UFX A 17 27.382 26.425 30.244 1.00 0.00 H +ATOM 202 H6 UFX A 17 26.996 28.603 31.426 1.00 0.00 H +ATOM 203 H7 UFX A 17 27.599 27.832 32.906 1.00 0.00 H +ATOM 204 H8 UFX A 17 25.110 27.210 31.624 1.00 0.00 H +ATOM 205 C1 UFX A 18 23.352 4.311 8.318 1.00 0.00 C +ATOM 206 C2 UFX A 18 24.021 3.470 7.246 1.00 0.00 C +ATOM 207 C3 UFX A 18 23.067 2.328 6.884 1.00 0.00 C +ATOM 208 O1 UFX A 18 22.792 1.543 7.973 1.00 0.00 O +ATOM 209 H1 UFX A 18 22.486 4.786 7.834 1.00 0.00 H +ATOM 210 H2 UFX A 18 23.072 3.686 9.189 1.00 0.00 H +ATOM 211 H3 UFX A 18 24.080 5.055 8.681 1.00 0.00 H +ATOM 212 H4 UFX A 18 24.228 4.113 6.395 1.00 0.00 H +ATOM 213 H5 UFX A 18 24.950 3.017 7.611 1.00 0.00 H +ATOM 214 H6 UFX A 18 23.452 1.819 5.995 1.00 0.00 H +ATOM 215 H7 UFX A 18 22.116 2.827 6.587 1.00 0.00 H +ATOM 216 H8 UFX A 18 23.412 0.763 8.097 1.00 0.00 H +ATOM 217 C1 UFX A 19 22.881 3.333 31.523 1.00 0.00 C +ATOM 218 C2 UFX A 19 22.438 4.189 30.350 1.00 0.00 C +ATOM 219 C3 UFX A 19 22.282 5.628 30.853 1.00 0.00 C +ATOM 220 O1 UFX A 19 21.349 5.707 31.854 1.00 0.00 O +ATOM 221 H1 UFX A 19 23.895 3.673 31.779 1.00 0.00 H +ATOM 222 H2 UFX A 19 22.168 3.423 32.366 1.00 0.00 H +ATOM 223 H3 UFX A 19 22.868 2.277 31.206 1.00 0.00 H +ATOM 224 H4 UFX A 19 23.192 4.109 29.571 1.00 0.00 H +ATOM 225 H5 UFX A 19 21.463 3.870 29.964 1.00 0.00 H +ATOM 226 H6 UFX A 19 22.136 6.286 29.991 1.00 0.00 H +ATOM 227 H7 UFX A 19 23.269 5.887 31.298 1.00 0.00 H +ATOM 228 H8 UFX A 19 20.412 5.891 31.542 1.00 0.00 H +ATOM 229 C1 UFX A 20 16.496 2.227 6.251 1.00 0.00 C +ATOM 230 C2 UFX A 20 16.793 2.907 4.926 1.00 0.00 C +ATOM 231 C3 UFX A 20 17.984 3.846 5.139 1.00 0.00 C +ATOM 232 O1 UFX A 20 17.707 4.796 6.088 1.00 0.00 O +ATOM 233 H1 UFX A 20 17.358 1.576 6.457 1.00 0.00 H +ATOM 234 H2 UFX A 20 16.320 2.977 7.047 1.00 0.00 H +ATOM 235 H3 UFX A 20 15.561 1.652 6.144 1.00 0.00 H +ATOM 236 H4 UFX A 20 17.009 2.135 4.193 1.00 0.00 H +ATOM 237 H5 UFX A 20 15.949 3.520 4.590 1.00 0.00 H +ATOM 238 H6 UFX A 20 18.323 4.208 4.164 1.00 0.00 H +ATOM 239 H7 UFX A 20 18.795 3.199 5.546 1.00 0.00 H +ATOM 240 H8 UFX A 20 17.314 5.647 5.728 1.00 0.00 H +ATOM 241 C1 UFX A 21 27.488 16.668 5.241 1.00 0.00 C +ATOM 242 C2 UFX A 21 28.017 18.019 5.690 1.00 0.00 C +ATOM 243 C3 UFX A 21 27.995 18.045 7.221 1.00 0.00 C +ATOM 244 O1 UFX A 21 26.725 17.868 7.704 1.00 0.00 O +ATOM 245 H1 UFX A 21 28.235 15.928 5.564 1.00 0.00 H +ATOM 246 H2 UFX A 21 26.482 16.480 5.663 1.00 0.00 H +ATOM 247 H3 UFX A 21 27.374 16.686 4.144 1.00 0.00 H +ATOM 248 H4 UFX A 21 29.022 18.135 5.294 1.00 0.00 H +ATOM 249 H5 UFX A 21 27.378 18.837 5.339 1.00 0.00 H +ATOM 250 H6 UFX A 21 28.533 18.933 7.563 1.00 0.00 H +ATOM 251 H7 UFX A 21 28.595 17.160 7.534 1.00 0.00 H +ATOM 252 H8 UFX A 21 26.208 18.717 7.848 1.00 0.00 H +ATOM 253 C1 UFX A 22 30.387 9.982 8.556 1.00 0.00 C +ATOM 254 C2 UFX A 22 29.144 10.192 7.709 1.00 0.00 C +ATOM 255 C3 UFX A 22 28.987 11.697 7.474 1.00 0.00 C +ATOM 256 O1 UFX A 22 28.852 12.374 8.658 1.00 0.00 O +ATOM 257 H1 UFX A 22 31.238 10.277 7.925 1.00 0.00 H +ATOM 258 H2 UFX A 22 30.323 10.562 9.497 1.00 0.00 H +ATOM 259 H3 UFX A 22 30.436 8.917 8.842 1.00 0.00 H +ATOM 260 H4 UFX A 22 29.276 9.646 6.778 1.00 0.00 H +ATOM 261 H5 UFX A 22 28.242 9.844 8.224 1.00 0.00 H +ATOM 262 H6 UFX A 22 28.206 11.855 6.725 1.00 0.00 H +ATOM 263 H7 UFX A 22 29.949 12.021 7.015 1.00 0.00 H +ATOM 264 H8 UFX A 22 27.904 12.493 8.969 1.00 0.00 H +ATOM 265 C1 UFX A 23 22.096 10.937 22.207 1.00 0.00 C +ATOM 266 C2 UFX A 23 21.940 12.412 21.882 1.00 0.00 C +ATOM 267 C3 UFX A 23 22.462 12.635 20.460 1.00 0.00 C +ATOM 268 O1 UFX A 23 23.781 12.280 20.351 1.00 0.00 O +ATOM 269 H1 UFX A 23 21.397 10.406 21.545 1.00 0.00 H +ATOM 270 H2 UFX A 23 23.147 10.615 22.075 1.00 0.00 H +ATOM 271 H3 UFX A 23 21.849 10.788 23.272 1.00 0.00 H +ATOM 272 H4 UFX A 23 20.889 12.668 21.975 1.00 0.00 H +ATOM 273 H5 UFX A 23 22.540 13.037 22.553 1.00 0.00 H +ATOM 274 H6 UFX A 23 22.197 13.649 20.145 1.00 0.00 H +ATOM 275 H7 UFX A 23 21.876 11.933 19.823 1.00 0.00 H +ATOM 276 H8 UFX A 23 24.433 13.025 20.528 1.00 0.00 H +ATOM 277 C1 UFX A 24 6.176 9.580 2.729 1.00 0.00 C +ATOM 278 C2 UFX A 24 4.819 10.171 3.067 1.00 0.00 C +ATOM 279 C3 UFX A 24 3.907 9.024 3.511 1.00 0.00 C +ATOM 280 O1 UFX A 24 3.764 8.087 2.521 1.00 0.00 O +ATOM 281 H1 UFX A 24 6.594 9.217 3.680 1.00 0.00 H +ATOM 282 H2 UFX A 24 6.079 8.783 1.967 1.00 0.00 H +ATOM 283 H3 UFX A 24 6.799 10.374 2.282 1.00 0.00 H +ATOM 284 H4 UFX A 24 4.959 10.908 3.852 1.00 0.00 H +ATOM 285 H5 UFX A 24 4.354 10.638 2.191 1.00 0.00 H +ATOM 286 H6 UFX A 24 2.987 9.448 3.924 1.00 0.00 H +ATOM 287 H7 UFX A 24 4.447 8.534 4.354 1.00 0.00 H +ATOM 288 H8 UFX A 24 2.987 8.244 1.903 1.00 0.00 H +ATOM 289 C1 UFX A 25 7.343 31.829 4.438 1.00 0.00 C +ATOM 290 C2 UFX A 25 6.898 31.021 3.232 1.00 0.00 C +ATOM 291 C3 UFX A 25 7.940 29.924 2.994 1.00 0.00 C +ATOM 292 O1 UFX A 25 9.179 30.456 2.755 1.00 0.00 O +ATOM 293 H1 UFX A 25 7.268 31.152 5.302 1.00 0.00 H +ATOM 294 H2 UFX A 25 8.366 32.227 4.288 1.00 0.00 H +ATOM 295 H3 UFX A 25 6.674 32.701 4.538 1.00 0.00 H +ATOM 296 H4 UFX A 25 5.915 30.611 3.447 1.00 0.00 H +ATOM 297 H5 UFX A 25 6.859 31.637 2.327 1.00 0.00 H +ATOM 298 H6 UFX A 25 7.550 29.228 2.246 1.00 0.00 H +ATOM 299 H7 UFX A 25 7.999 29.367 3.958 1.00 0.00 H +ATOM 300 H8 UFX A 25 9.383 30.628 1.786 1.00 0.00 H +ATOM 301 C1 UFX A 26 29.899 24.822 12.228 1.00 0.00 C +ATOM 302 C2 UFX A 26 31.291 24.256 12.447 1.00 0.00 C +ATOM 303 C3 UFX A 26 32.023 25.179 13.426 1.00 0.00 C +ATOM 304 O1 UFX A 26 32.121 26.453 12.931 1.00 0.00 O +ATOM 305 H1 UFX A 26 29.374 24.717 13.189 1.00 0.00 H +ATOM 306 H2 UFX A 26 29.953 25.871 11.877 1.00 0.00 H +ATOM 307 H3 UFX A 26 29.411 24.243 11.426 1.00 0.00 H +ATOM 308 H4 UFX A 26 31.186 23.248 12.839 1.00 0.00 H +ATOM 309 H5 UFX A 26 31.870 24.240 11.517 1.00 0.00 H +ATOM 310 H6 UFX A 26 32.956 24.696 13.732 1.00 0.00 H +ATOM 311 H7 UFX A 26 31.369 25.223 14.327 1.00 0.00 H +ATOM 312 H8 UFX A 26 32.954 26.634 12.398 1.00 0.00 H +ATOM 313 C1 UFX A 27 11.982 17.591 23.063 1.00 0.00 C +ATOM 314 C2 UFX A 27 12.440 16.847 24.304 1.00 0.00 C +ATOM 315 C3 UFX A 27 13.599 17.635 24.922 1.00 0.00 C +ATOM 316 O1 UFX A 27 14.647 17.749 24.046 1.00 0.00 O +ATOM 317 H1 UFX A 27 11.546 18.536 23.419 1.00 0.00 H +ATOM 318 H2 UFX A 27 12.826 17.742 22.362 1.00 0.00 H +ATOM 319 H3 UFX A 27 11.240 16.967 22.537 1.00 0.00 H +ATOM 320 H4 UFX A 27 11.594 16.769 24.981 1.00 0.00 H +ATOM 321 H5 UFX A 27 12.817 15.848 24.059 1.00 0.00 H +ATOM 322 H6 UFX A 27 13.824 17.214 25.906 1.00 0.00 H +ATOM 323 H7 UFX A 27 13.195 18.659 25.091 1.00 0.00 H +ATOM 324 H8 UFX A 27 15.331 17.016 24.110 1.00 0.00 H +ATOM 325 C1 UFX A 28 20.859 27.369 25.911 1.00 0.00 C +ATOM 326 C2 UFX A 28 20.085 28.537 26.494 1.00 0.00 C +ATOM 327 C3 UFX A 28 18.648 28.070 26.742 1.00 0.00 C +ATOM 328 O1 UFX A 28 18.049 27.661 25.579 1.00 0.00 O +ATOM 329 H1 UFX A 28 20.922 26.617 26.711 1.00 0.00 H +ATOM 330 H2 UFX A 28 20.364 26.987 24.996 1.00 0.00 H +ATOM 331 H3 UFX A 28 21.856 27.730 25.605 1.00 0.00 H +ATOM 332 H4 UFX A 28 20.578 28.842 27.413 1.00 0.00 H +ATOM 333 H5 UFX A 28 20.040 29.379 25.795 1.00 0.00 H +ATOM 334 H6 UFX A 28 18.125 28.836 27.321 1.00 0.00 H +ATOM 335 H7 UFX A 28 18.743 27.174 27.397 1.00 0.00 H +ATOM 336 H8 UFX A 28 17.553 28.382 25.085 1.00 0.00 H +ATOM 337 C1 UFX A 29 23.636 28.128 17.172 1.00 0.00 C +ATOM 338 C2 UFX A 29 23.330 29.417 17.914 1.00 0.00 C +ATOM 339 C3 UFX A 29 23.051 30.503 16.871 1.00 0.00 C +ATOM 340 O1 UFX A 29 24.132 30.695 16.050 1.00 0.00 O +ATOM 341 H1 UFX A 29 22.700 27.834 16.675 1.00 0.00 H +ATOM 342 H2 UFX A 29 24.475 28.274 16.463 1.00 0.00 H +ATOM 343 H3 UFX A 29 23.968 27.375 17.906 1.00 0.00 H +ATOM 344 H4 UFX A 29 22.471 29.239 18.556 1.00 0.00 H +ATOM 345 H5 UFX A 29 24.184 29.749 18.513 1.00 0.00 H +ATOM 346 H6 UFX A 29 22.658 31.386 17.382 1.00 0.00 H +ATOM 347 H7 UFX A 29 22.226 30.096 16.242 1.00 0.00 H +ATOM 348 H8 UFX A 29 24.779 31.397 16.365 1.00 0.00 H +ATOM 349 C1 UFX A 30 21.549 5.955 13.580 1.00 0.00 C +ATOM 350 C2 UFX A 30 20.705 4.695 13.508 1.00 0.00 C +ATOM 351 C3 UFX A 30 21.215 3.728 14.579 1.00 0.00 C +ATOM 352 O1 UFX A 30 22.532 3.408 14.375 1.00 0.00 O +ATOM 353 H1 UFX A 30 21.310 6.425 14.546 1.00 0.00 H +ATOM 354 H2 UFX A 30 22.624 5.714 13.469 1.00 0.00 H +ATOM 355 H3 UFX A 30 21.279 6.604 12.729 1.00 0.00 H +ATOM 356 H4 UFX A 30 19.668 4.975 13.672 1.00 0.00 H +ATOM 357 H5 UFX A 30 20.810 4.196 12.538 1.00 0.00 H +ATOM 358 H6 UFX A 30 20.513 2.894 14.661 1.00 0.00 H +ATOM 359 H7 UFX A 30 21.157 4.297 15.535 1.00 0.00 H +ATOM 360 H8 UFX A 30 22.684 2.594 13.805 1.00 0.00 H +ATOM 361 C1 UFX A 31 9.987 22.111 11.905 1.00 0.00 C +ATOM 362 C2 UFX A 31 8.478 22.285 11.914 1.00 0.00 C +ATOM 363 C3 UFX A 31 7.891 21.329 10.872 1.00 0.00 C +ATOM 364 O1 UFX A 31 8.374 21.599 9.619 1.00 0.00 O +ATOM 365 H1 UFX A 31 10.177 21.097 12.287 1.00 0.00 H +ATOM 366 H2 UFX A 31 10.395 22.274 10.888 1.00 0.00 H +ATOM 367 H3 UFX A 31 10.430 22.886 12.553 1.00 0.00 H +ATOM 368 H4 UFX A 31 8.121 22.066 12.916 1.00 0.00 H +ATOM 369 H5 UFX A 31 8.189 23.302 11.626 1.00 0.00 H +ATOM 370 H6 UFX A 31 6.803 21.311 10.988 1.00 0.00 H +ATOM 371 H7 UFX A 31 8.265 20.320 11.161 1.00 0.00 H +ATOM 372 H8 UFX A 31 7.823 22.251 9.087 1.00 0.00 H +ATOM 373 C1 UFX A 32 29.653 27.781 27.848 1.00 0.00 C +ATOM 374 C2 UFX A 32 29.501 28.051 26.361 1.00 0.00 C +ATOM 375 C3 UFX A 32 28.957 26.777 25.708 1.00 0.00 C +ATOM 376 O1 UFX A 32 29.807 25.718 25.895 1.00 0.00 O +ATOM 377 H1 UFX A 32 28.632 27.656 28.239 1.00 0.00 H +ATOM 378 H2 UFX A 32 30.295 26.896 28.023 1.00 0.00 H +ATOM 379 H3 UFX A 32 30.167 28.643 28.306 1.00 0.00 H +ATOM 380 H4 UFX A 32 28.825 28.892 26.239 1.00 0.00 H +ATOM 381 H5 UFX A 32 30.466 28.273 25.892 1.00 0.00 H +ATOM 382 H6 UFX A 32 28.676 27.006 24.676 1.00 0.00 H +ATOM 383 H7 UFX A 32 28.016 26.548 26.259 1.00 0.00 H +ATOM 384 H8 UFX A 32 30.493 25.597 25.172 1.00 0.00 H +ATOM 385 C1 UFX A 33 7.422 31.386 26.076 1.00 0.00 C +ATOM 386 C2 UFX A 33 6.695 31.447 27.407 1.00 0.00 C +ATOM 387 C3 UFX A 33 6.155 30.046 27.709 1.00 0.00 C +ATOM 388 O1 UFX A 33 5.289 29.624 26.735 1.00 0.00 O +ATOM 389 H1 UFX A 33 8.307 30.754 26.242 1.00 0.00 H +ATOM 390 H2 UFX A 33 6.755 30.998 25.281 1.00 0.00 H +ATOM 391 H3 UFX A 33 7.699 32.414 25.784 1.00 0.00 H +ATOM 392 H4 UFX A 33 7.401 31.783 28.161 1.00 0.00 H +ATOM 393 H5 UFX A 33 5.837 32.127 27.366 1.00 0.00 H +ATOM 394 H6 UFX A 33 5.785 30.028 28.739 1.00 0.00 H +ATOM 395 H7 UFX A 33 7.046 29.378 27.672 1.00 0.00 H +ATOM 396 H8 UFX A 33 4.324 29.851 26.903 1.00 0.00 H +ATOM 397 C1 UFX A 34 4.532 29.219 22.422 1.00 0.00 C +ATOM 398 C2 UFX A 34 5.055 27.905 21.871 1.00 0.00 C +ATOM 399 C3 UFX A 34 6.183 27.428 22.791 1.00 0.00 C +ATOM 400 O1 UFX A 34 7.205 28.341 22.841 1.00 0.00 O +ATOM 401 H1 UFX A 34 4.053 28.977 23.382 1.00 0.00 H +ATOM 402 H2 UFX A 34 5.351 29.958 22.521 1.00 0.00 H +ATOM 403 H3 UFX A 34 3.812 29.638 21.698 1.00 0.00 H +ATOM 404 H4 UFX A 34 4.229 27.200 21.841 1.00 0.00 H +ATOM 405 H5 UFX A 34 5.480 28.029 20.869 1.00 0.00 H +ATOM 406 H6 UFX A 34 6.451 26.405 22.515 1.00 0.00 H +ATOM 407 H7 UFX A 34 5.729 27.383 23.807 1.00 0.00 H +ATOM 408 H8 UFX A 34 7.928 28.201 22.158 1.00 0.00 H +ATOM 409 C1 UFX A 35 15.880 28.518 30.790 1.00 0.00 C +ATOM 410 C2 UFX A 35 16.534 28.134 32.105 1.00 0.00 C +ATOM 411 C3 UFX A 35 16.816 26.629 32.066 1.00 0.00 C +ATOM 412 O1 UFX A 35 15.661 25.910 31.904 1.00 0.00 O +ATOM 413 H1 UFX A 35 16.648 28.377 30.016 1.00 0.00 H +ATOM 414 H2 UFX A 35 14.970 27.912 30.613 1.00 0.00 H +ATOM 415 H3 UFX A 35 15.552 29.570 30.859 1.00 0.00 H +ATOM 416 H4 UFX A 35 17.446 28.717 32.210 1.00 0.00 H +ATOM 417 H5 UFX A 35 15.869 28.321 32.956 1.00 0.00 H +ATOM 418 H6 UFX A 35 17.443 26.368 32.923 1.00 0.00 H +ATOM 419 H7 UFX A 35 17.434 26.474 31.152 1.00 0.00 H +ATOM 420 H8 UFX A 35 15.213 25.635 32.761 1.00 0.00 H +ATOM 421 C1 UFX A 36 19.567 4.013 1.164 1.00 0.00 C +ATOM 422 C2 UFX A 36 21.059 4.285 1.115 1.00 0.00 C +ATOM 423 C3 UFX A 36 21.307 5.651 1.762 1.00 0.00 C +ATOM 424 O1 UFX A 36 20.640 6.646 1.097 1.00 0.00 O +ATOM 425 H1 UFX A 36 19.315 3.890 2.227 1.00 0.00 H +ATOM 426 H2 UFX A 36 19.002 4.832 0.677 1.00 0.00 H +ATOM 427 H3 UFX A 36 19.362 3.097 0.584 1.00 0.00 H +ATOM 428 H4 UFX A 36 21.565 3.484 1.648 1.00 0.00 H +ATOM 429 H5 UFX A 36 21.425 4.340 0.084 1.00 0.00 H +ATOM 430 H6 UFX A 36 22.384 5.785 1.896 1.00 0.00 H +ATOM 431 H7 UFX A 36 20.860 5.575 2.780 1.00 0.00 H +ATOM 432 H8 UFX A 36 21.165 7.086 0.362 1.00 0.00 H +ATOM 433 C1 UFX A 37 21.671 3.475 26.862 1.00 0.00 C +ATOM 434 C2 UFX A 37 21.061 2.086 26.802 1.00 0.00 C +ATOM 435 C3 UFX A 37 20.956 1.559 28.236 1.00 0.00 C +ATOM 436 O1 UFX A 37 22.188 1.491 28.833 1.00 0.00 O +ATOM 437 H1 UFX A 37 20.927 4.112 27.362 1.00 0.00 H +ATOM 438 H2 UFX A 37 22.646 3.453 27.388 1.00 0.00 H +ATOM 439 H3 UFX A 37 21.874 3.811 25.831 1.00 0.00 H +ATOM 440 H4 UFX A 37 20.088 2.167 26.326 1.00 0.00 H +ATOM 441 H5 UFX A 37 21.697 1.391 26.243 1.00 0.00 H +ATOM 442 H6 UFX A 37 20.361 0.641 28.229 1.00 0.00 H +ATOM 443 H7 UFX A 37 20.364 2.326 28.785 1.00 0.00 H +ATOM 444 H8 UFX A 37 22.661 0.611 28.722 1.00 0.00 H +ATOM 445 C1 UFX A 38 4.870 4.022 12.889 1.00 0.00 C +ATOM 446 C2 UFX A 38 3.653 4.822 12.462 1.00 0.00 C +ATOM 447 C3 UFX A 38 2.543 3.830 12.104 1.00 0.00 C +ATOM 448 O1 UFX A 38 2.925 3.002 11.081 1.00 0.00 O +ATOM 449 H1 UFX A 38 4.594 3.528 13.832 1.00 0.00 H +ATOM 450 H2 UFX A 38 5.167 3.306 12.096 1.00 0.00 H +ATOM 451 H3 UFX A 38 5.716 4.718 13.021 1.00 0.00 H +ATOM 452 H4 UFX A 38 3.370 5.470 13.288 1.00 0.00 H +ATOM 453 H5 UFX A 38 3.858 5.421 11.568 1.00 0.00 H +ATOM 454 H6 UFX A 38 1.610 4.384 11.966 1.00 0.00 H +ATOM 455 H7 UFX A 38 2.415 3.198 13.012 1.00 0.00 H +ATOM 456 H8 UFX A 38 2.695 3.335 10.161 1.00 0.00 H +ATOM 457 C1 UFX A 39 12.431 17.836 3.834 1.00 0.00 C +ATOM 458 C2 UFX A 39 11.264 18.124 2.907 1.00 0.00 C +ATOM 459 C3 UFX A 39 11.794 18.117 1.470 1.00 0.00 C +ATOM 460 O1 UFX A 39 12.764 19.068 1.292 1.00 0.00 O +ATOM 461 H1 UFX A 39 12.731 16.797 3.630 1.00 0.00 H +ATOM 462 H2 UFX A 39 13.251 18.563 3.671 1.00 0.00 H +ATOM 463 H3 UFX A 39 12.090 17.970 4.875 1.00 0.00 H +ATOM 464 H4 UFX A 39 10.510 17.358 3.067 1.00 0.00 H +ATOM 465 H5 UFX A 39 10.837 19.116 3.094 1.00 0.00 H +ATOM 466 H6 UFX A 39 10.944 18.146 0.783 1.00 0.00 H +ATOM 467 H7 UFX A 39 12.280 17.122 1.346 1.00 0.00 H +ATOM 468 H8 UFX A 39 12.424 19.963 0.985 1.00 0.00 H +ATOM 469 C1 UFX A 40 17.049 8.104 25.242 1.00 0.00 C +ATOM 470 C2 UFX A 40 16.325 9.392 24.892 1.00 0.00 C +ATOM 471 C3 UFX A 40 17.362 10.377 24.345 1.00 0.00 C +ATOM 472 O1 UFX A 40 18.337 10.640 25.272 1.00 0.00 O +ATOM 473 H1 UFX A 40 17.392 7.679 24.287 1.00 0.00 H +ATOM 474 H2 UFX A 40 17.877 8.299 25.952 1.00 0.00 H +ATOM 475 H3 UFX A 40 16.339 7.436 25.759 1.00 0.00 H +ATOM 476 H4 UFX A 40 15.559 9.158 24.157 1.00 0.00 H +ATOM 477 H5 UFX A 40 15.870 9.851 25.776 1.00 0.00 H +ATOM 478 H6 UFX A 40 16.837 11.240 23.925 1.00 0.00 H +ATOM 479 H7 UFX A 40 17.847 9.846 23.495 1.00 0.00 H +ATOM 480 H8 UFX A 40 18.149 11.426 25.869 1.00 0.00 H +ATOM 481 C1 UFX A 41 20.163 20.279 30.064 1.00 0.00 C +ATOM 482 C2 UFX A 41 21.509 19.584 29.960 1.00 0.00 C +ATOM 483 C3 UFX A 41 22.405 20.129 31.075 1.00 0.00 C +ATOM 484 O1 UFX A 41 22.580 21.483 30.957 1.00 0.00 O +ATOM 485 H1 UFX A 41 19.714 19.931 31.006 1.00 0.00 H +ATOM 486 H2 UFX A 41 20.285 21.379 30.023 1.00 0.00 H +ATOM 487 H3 UFX A 41 19.556 19.994 29.188 1.00 0.00 H +ATOM 488 H4 UFX A 41 21.343 18.514 30.056 1.00 0.00 H +ATOM 489 H5 UFX A 41 22.002 19.803 29.006 1.00 0.00 H +ATOM 490 H6 UFX A 41 23.310 19.518 31.127 1.00 0.00 H +ATOM 491 H7 UFX A 41 21.837 19.950 32.017 1.00 0.00 H +ATOM 492 H8 UFX A 41 23.377 21.758 30.410 1.00 0.00 H +ATOM 493 C1 UFX A 42 8.381 8.458 22.806 1.00 0.00 C +ATOM 494 C2 UFX A 42 9.337 8.912 21.718 1.00 0.00 C +ATOM 495 C3 UFX A 42 8.587 8.862 20.384 1.00 0.00 C +ATOM 496 O1 UFX A 42 8.150 7.593 20.106 1.00 0.00 O +ATOM 497 H1 UFX A 42 7.603 9.233 22.869 1.00 0.00 H +ATOM 498 H2 UFX A 42 7.973 7.454 22.575 1.00 0.00 H +ATOM 499 H3 UFX A 42 8.946 8.363 23.748 1.00 0.00 H +ATOM 500 H4 UFX A 42 9.669 9.918 21.961 1.00 0.00 H +ATOM 501 H5 UFX A 42 10.200 8.242 21.635 1.00 0.00 H +ATOM 502 H6 UFX A 42 9.199 9.350 19.619 1.00 0.00 H +ATOM 503 H7 UFX A 42 7.685 9.498 20.534 1.00 0.00 H +ATOM 504 H8 UFX A 42 8.794 7.033 19.574 1.00 0.00 H +ATOM 505 C1 UFX A 43 13.453 27.906 25.812 1.00 0.00 C +ATOM 506 C2 UFX A 43 13.601 28.518 27.194 1.00 0.00 C +ATOM 507 C3 UFX A 43 14.997 29.142 27.282 1.00 0.00 C +ATOM 508 O1 UFX A 43 15.976 28.201 27.092 1.00 0.00 O +ATOM 509 H1 UFX A 43 13.450 28.749 25.106 1.00 0.00 H +ATOM 510 H2 UFX A 43 14.266 27.179 25.616 1.00 0.00 H +ATOM 511 H3 UFX A 43 12.507 27.340 25.783 1.00 0.00 H +ATOM 512 H4 UFX A 43 12.816 29.258 27.320 1.00 0.00 H +ATOM 513 H5 UFX A 43 13.531 27.758 27.980 1.00 0.00 H +ATOM 514 H6 UFX A 43 15.057 29.737 28.198 1.00 0.00 H +ATOM 515 H7 UFX A 43 15.051 29.853 26.427 1.00 0.00 H +ATOM 516 H8 UFX A 43 16.303 27.759 27.933 1.00 0.00 H +ATOM 517 C1 UFX A 44 8.909 12.273 19.880 1.00 0.00 C +ATOM 518 C2 UFX A 44 7.481 12.761 19.710 1.00 0.00 C +ATOM 519 C3 UFX A 44 7.533 14.134 19.035 1.00 0.00 C +ATOM 520 O1 UFX A 44 8.237 15.035 19.791 1.00 0.00 O +ATOM 521 H1 UFX A 44 9.290 12.093 18.864 1.00 0.00 H +ATOM 522 H2 UFX A 44 9.511 13.011 20.445 1.00 0.00 H +ATOM 523 H3 UFX A 44 8.891 11.349 20.483 1.00 0.00 H +ATOM 524 H4 UFX A 44 6.945 12.031 19.109 1.00 0.00 H +ATOM 525 H5 UFX A 44 6.982 12.890 20.677 1.00 0.00 H +ATOM 526 H6 UFX A 44 6.518 14.421 18.745 1.00 0.00 H +ATOM 527 H7 UFX A 44 8.107 13.972 18.093 1.00 0.00 H +ATOM 528 H8 UFX A 44 7.681 15.562 20.442 1.00 0.00 H +ATOM 529 C1 UFX A 45 27.753 16.276 27.301 1.00 0.00 C +ATOM 530 C2 UFX A 45 26.598 15.413 27.775 1.00 0.00 C +ATOM 531 C3 UFX A 45 27.171 14.324 28.686 1.00 0.00 C +ATOM 532 O1 UFX A 45 28.080 13.544 28.020 1.00 0.00 O +ATOM 533 H1 UFX A 45 28.128 16.798 28.193 1.00 0.00 H +ATOM 534 H2 UFX A 45 28.526 15.658 26.804 1.00 0.00 H +ATOM 535 H3 UFX A 45 27.372 16.980 26.541 1.00 0.00 H +ATOM 536 H4 UFX A 45 25.893 16.053 28.299 1.00 0.00 H +ATOM 537 H5 UFX A 45 26.099 14.912 26.938 1.00 0.00 H +ATOM 538 H6 UFX A 45 26.342 13.805 29.176 1.00 0.00 H +ATOM 539 H7 UFX A 45 27.726 14.873 29.481 1.00 0.00 H +ATOM 540 H8 UFX A 45 27.690 12.732 27.574 1.00 0.00 H +ATOM 541 C1 UFX A 46 11.640 30.493 31.851 1.00 0.00 C +ATOM 542 C2 UFX A 46 11.057 31.847 31.488 1.00 0.00 C +ATOM 543 C3 UFX A 46 11.295 32.073 29.992 1.00 0.00 C +ATOM 544 O1 UFX A 46 12.632 32.056 29.692 1.00 0.00 O +ATOM 545 H1 UFX A 46 11.020 29.747 31.333 1.00 0.00 H +ATOM 546 H2 UFX A 46 12.710 30.438 31.569 1.00 0.00 H +ATOM 547 H3 UFX A 46 11.594 30.377 32.948 1.00 0.00 H +ATOM 548 H4 UFX A 46 9.999 31.834 31.735 1.00 0.00 H +ATOM 549 H5 UFX A 46 11.559 32.659 32.026 1.00 0.00 H +ATOM 550 H6 UFX A 46 10.730 32.955 29.677 1.00 0.00 H +ATOM 551 H7 UFX A 46 10.832 31.193 29.489 1.00 0.00 H +ATOM 552 H8 UFX A 46 13.082 32.954 29.729 1.00 0.00 H +ATOM 553 C1 UFX A 47 18.820 5.224 25.252 1.00 0.00 C +ATOM 554 C2 UFX A 47 19.976 5.839 24.484 1.00 0.00 C +ATOM 555 C3 UFX A 47 20.774 6.711 25.458 1.00 0.00 C +ATOM 556 O1 UFX A 47 19.995 7.708 25.986 1.00 0.00 O +ATOM 557 H1 UFX A 47 19.272 4.529 25.975 1.00 0.00 H +ATOM 558 H2 UFX A 47 18.205 6.010 25.732 1.00 0.00 H +ATOM 559 H3 UFX A 47 18.164 4.702 24.534 1.00 0.00 H +ATOM 560 H4 UFX A 47 20.577 5.030 24.076 1.00 0.00 H +ATOM 561 H5 UFX A 47 19.622 6.489 23.676 1.00 0.00 H +ATOM 562 H6 UFX A 47 21.704 7.019 24.971 1.00 0.00 H +ATOM 563 H7 UFX A 47 21.053 6.031 26.294 1.00 0.00 H +ATOM 564 H8 UFX A 47 20.005 8.569 25.468 1.00 0.00 H +ATOM 565 C1 UFX A 48 15.558 15.878 21.153 1.00 0.00 C +ATOM 566 C2 UFX A 48 14.965 15.029 20.043 1.00 0.00 C +ATOM 567 C3 UFX A 48 15.241 15.737 18.713 1.00 0.00 C +ATOM 568 O1 UFX A 48 14.674 16.985 18.686 1.00 0.00 O +ATOM 569 H1 UFX A 48 16.649 15.839 21.013 1.00 0.00 H +ATOM 570 H2 UFX A 48 15.153 16.908 21.118 1.00 0.00 H +ATOM 571 H3 UFX A 48 15.251 15.448 22.121 1.00 0.00 H +ATOM 572 H4 UFX A 48 15.429 14.047 20.085 1.00 0.00 H +ATOM 573 H5 UFX A 48 13.878 14.935 20.145 1.00 0.00 H +ATOM 574 H6 UFX A 48 14.979 15.060 17.895 1.00 0.00 H +ATOM 575 H7 UFX A 48 16.346 15.874 18.682 1.00 0.00 H +ATOM 576 H8 UFX A 48 13.740 17.015 18.317 1.00 0.00 H +ATOM 577 C1 UFX A 49 3.837 20.042 25.064 1.00 0.00 C +ATOM 578 C2 UFX A 49 3.981 18.557 25.345 1.00 0.00 C +ATOM 579 C3 UFX A 49 5.432 18.298 25.761 1.00 0.00 C +ATOM 580 O1 UFX A 49 6.307 18.662 24.771 1.00 0.00 O +ATOM 581 H1 UFX A 49 3.967 20.548 26.032 1.00 0.00 H +ATOM 582 H2 UFX A 49 4.572 20.371 24.302 1.00 0.00 H +ATOM 583 H3 UFX A 49 2.836 20.220 24.637 1.00 0.00 H +ATOM 584 H4 UFX A 49 3.279 18.295 26.132 1.00 0.00 H +ATOM 585 H5 UFX A 49 3.784 17.957 24.450 1.00 0.00 H +ATOM 586 H6 UFX A 49 5.511 17.273 26.136 1.00 0.00 H +ATOM 587 H7 UFX A 49 5.611 18.976 26.627 1.00 0.00 H +ATOM 588 H8 UFX A 49 6.537 17.929 24.123 1.00 0.00 H +ATOM 589 C1 UFX A 50 6.841 25.867 12.103 1.00 0.00 C +ATOM 590 C2 UFX A 50 5.501 26.577 12.166 1.00 0.00 C +ATOM 591 C3 UFX A 50 4.860 26.490 10.778 1.00 0.00 C +ATOM 592 O1 UFX A 50 5.648 27.085 9.827 1.00 0.00 O +ATOM 593 H1 UFX A 50 6.613 24.802 11.944 1.00 0.00 H +ATOM 594 H2 UFX A 50 7.477 26.297 11.305 1.00 0.00 H +ATOM 595 H3 UFX A 50 7.370 26.037 13.057 1.00 0.00 H +ATOM 596 H4 UFX A 50 4.896 26.088 12.925 1.00 0.00 H +ATOM 597 H5 UFX A 50 5.619 27.639 12.406 1.00 0.00 H +ATOM 598 H6 UFX A 50 3.825 26.838 10.847 1.00 0.00 H +ATOM 599 H7 UFX A 50 4.823 25.401 10.543 1.00 0.00 H +ATOM 600 H8 UFX A 50 5.456 28.059 9.671 1.00 0.00 H +ATOM 601 C1 UFX A 51 28.264 16.371 10.943 1.00 0.00 C +ATOM 602 C2 UFX A 51 28.766 17.665 10.327 1.00 0.00 C +ATOM 603 C3 UFX A 51 30.168 17.406 9.770 1.00 0.00 C +ATOM 604 O1 UFX A 51 31.031 17.006 10.757 1.00 0.00 O +ATOM 605 H1 UFX A 51 28.129 15.670 10.106 1.00 0.00 H +ATOM 606 H2 UFX A 51 28.973 16.000 11.709 1.00 0.00 H +ATOM 607 H3 UFX A 51 27.314 16.579 11.463 1.00 0.00 H +ATOM 608 H4 UFX A 51 28.067 17.961 9.549 1.00 0.00 H +ATOM 609 H5 UFX A 51 28.852 18.460 11.076 1.00 0.00 H +ATOM 610 H6 UFX A 51 30.472 18.269 9.171 1.00 0.00 H +ATOM 611 H7 UFX A 51 30.048 16.549 9.068 1.00 0.00 H +ATOM 612 H8 UFX A 51 31.529 17.753 11.208 1.00 0.00 H +ATOM 613 C1 UFX A 52 13.366 30.721 4.339 1.00 0.00 C +ATOM 614 C2 UFX A 52 11.922 30.876 3.898 1.00 0.00 C +ATOM 615 C3 UFX A 52 11.493 32.316 4.198 1.00 0.00 C +ATOM 616 O1 UFX A 52 11.595 32.599 5.535 1.00 0.00 O +ATOM 617 H1 UFX A 52 13.959 31.357 3.664 1.00 0.00 H +ATOM 618 H2 UFX A 52 13.483 30.995 5.406 1.00 0.00 H +ATOM 619 H3 UFX A 52 13.644 29.657 4.252 1.00 0.00 H +ATOM 620 H4 UFX A 52 11.867 30.647 2.838 1.00 0.00 H +ATOM 621 H5 UFX A 52 11.256 30.212 4.461 1.00 0.00 H +ATOM 622 H6 UFX A 52 10.521 32.496 3.729 1.00 0.00 H +ATOM 623 H7 UFX A 52 12.234 32.955 3.666 1.00 0.00 H +ATOM 624 H8 UFX A 52 10.763 32.417 6.068 1.00 0.00 H +ATOM 625 C1 UFX A 53 4.321 5.576 22.598 1.00 0.00 C +ATOM 626 C2 UFX A 53 5.580 6.105 21.934 1.00 0.00 C +ATOM 627 C3 UFX A 53 6.742 5.194 22.341 1.00 0.00 C +ATOM 628 O1 UFX A 53 6.914 5.183 23.700 1.00 0.00 O +ATOM 629 H1 UFX A 53 4.117 4.602 22.130 1.00 0.00 H +ATOM 630 H2 UFX A 53 4.456 5.509 23.696 1.00 0.00 H +ATOM 631 H3 UFX A 53 3.506 6.297 22.422 1.00 0.00 H +ATOM 632 H4 UFX A 53 5.418 6.104 20.859 1.00 0.00 H +ATOM 633 H5 UFX A 53 5.821 7.117 22.276 1.00 0.00 H +ATOM 634 H6 UFX A 53 7.616 5.451 21.735 1.00 0.00 H +ATOM 635 H7 UFX A 53 6.427 4.169 22.038 1.00 0.00 H +ATOM 636 H8 UFX A 53 7.554 5.876 24.048 1.00 0.00 H +ATOM 637 C1 UFX A 54 31.283 2.424 10.669 1.00 0.00 C +ATOM 638 C2 UFX A 54 29.836 2.553 11.108 1.00 0.00 C +ATOM 639 C3 UFX A 54 29.372 1.178 11.598 1.00 0.00 C +ATOM 640 O1 UFX A 54 29.466 0.237 10.606 1.00 0.00 O +ATOM 641 H1 UFX A 54 31.861 2.222 11.583 1.00 0.00 H +ATOM 642 H2 UFX A 54 31.393 1.631 9.903 1.00 0.00 H +ATOM 643 H3 UFX A 54 31.587 3.371 10.191 1.00 0.00 H +ATOM 644 H4 UFX A 54 29.787 3.303 11.892 1.00 0.00 H +ATOM 645 H5 UFX A 54 29.186 2.840 10.273 1.00 0.00 H +ATOM 646 H6 UFX A 54 28.396 1.289 12.080 1.00 0.00 H +ATOM 647 H7 UFX A 54 30.097 0.894 12.394 1.00 0.00 H +ATOM 648 H8 UFX A 54 28.638 0.132 10.046 1.00 0.00 H +ATOM 649 C1 UFX A 55 15.598 20.887 7.593 1.00 0.00 C +ATOM 650 C2 UFX A 55 17.067 20.604 7.331 1.00 0.00 C +ATOM 651 C3 UFX A 55 17.156 19.302 6.530 1.00 0.00 C +ATOM 652 O1 UFX A 55 16.605 18.253 7.219 1.00 0.00 O +ATOM 653 H1 UFX A 55 15.152 21.107 6.613 1.00 0.00 H +ATOM 654 H2 UFX A 55 15.118 20.029 8.105 1.00 0.00 H +ATOM 655 H3 UFX A 55 15.528 21.747 8.281 1.00 0.00 H +ATOM 656 H4 UFX A 55 17.480 21.448 6.785 1.00 0.00 H +ATOM 657 H5 UFX A 55 17.621 20.453 8.264 1.00 0.00 H +ATOM 658 H6 UFX A 55 18.185 19.175 6.181 1.00 0.00 H +ATOM 659 H7 UFX A 55 16.526 19.473 5.627 1.00 0.00 H +ATOM 660 H8 UFX A 55 17.251 17.746 7.798 1.00 0.00 H +ATOM 661 C1 UFX A 56 11.905 5.070 10.945 1.00 0.00 C +ATOM 662 C2 UFX A 56 12.512 6.280 10.257 1.00 0.00 C +ATOM 663 C3 UFX A 56 11.407 6.957 9.441 1.00 0.00 C +ATOM 664 O1 UFX A 56 10.891 6.106 8.498 1.00 0.00 O +ATOM 665 H1 UFX A 56 11.189 5.466 11.680 1.00 0.00 H +ATOM 666 H2 UFX A 56 11.436 4.392 10.206 1.00 0.00 H +ATOM 667 H3 UFX A 56 12.718 4.501 11.427 1.00 0.00 H +ATOM 668 H4 UFX A 56 12.912 6.937 11.024 1.00 0.00 H +ATOM 669 H5 UFX A 56 13.305 5.990 9.559 1.00 0.00 H +ATOM 670 H6 UFX A 56 11.777 7.922 9.084 1.00 0.00 H +ATOM 671 H7 UFX A 56 10.595 7.170 10.173 1.00 0.00 H +ATOM 672 H8 UFX A 56 11.347 6.145 7.603 1.00 0.00 H +ATOM 673 C1 UFX A 57 13.948 21.696 2.356 1.00 0.00 C +ATOM 674 C2 UFX A 57 15.438 21.448 2.515 1.00 0.00 C +ATOM 675 C3 UFX A 57 15.752 21.437 4.014 1.00 0.00 C +ATOM 676 O1 UFX A 57 15.424 22.631 4.601 1.00 0.00 O +ATOM 677 H1 UFX A 57 13.447 20.805 2.761 1.00 0.00 H +ATOM 678 H2 UFX A 57 13.649 22.632 2.868 1.00 0.00 H +ATOM 679 H3 UFX A 57 13.732 21.839 1.283 1.00 0.00 H +ATOM 680 H4 UFX A 57 15.672 20.498 2.042 1.00 0.00 H +ATOM 681 H5 UFX A 57 16.030 22.250 2.061 1.00 0.00 H +ATOM 682 H6 UFX A 57 16.779 21.086 4.153 1.00 0.00 H +ATOM 683 H7 UFX A 57 15.081 20.659 4.445 1.00 0.00 H +ATOM 684 H8 UFX A 57 16.166 23.308 4.620 1.00 0.00 H +ATOM 685 C1 UFX A 58 6.757 24.377 1.474 1.00 0.00 C +ATOM 686 C2 UFX A 58 8.028 24.111 2.260 1.00 0.00 C +ATOM 687 C3 UFX A 58 7.640 23.362 3.538 1.00 0.00 C +ATOM 688 O1 UFX A 58 6.775 24.099 4.304 1.00 0.00 O +ATOM 689 H1 UFX A 58 6.392 23.392 1.145 1.00 0.00 H +ATOM 690 H2 UFX A 58 6.021 24.927 2.092 1.00 0.00 H +ATOM 691 H3 UFX A 58 7.006 25.029 0.620 1.00 0.00 H +ATOM 692 H4 UFX A 58 8.696 23.527 1.632 1.00 0.00 H +ATOM 693 H5 UFX A 58 8.517 25.044 2.562 1.00 0.00 H +ATOM 694 H6 UFX A 58 8.552 23.008 4.027 1.00 0.00 H +ATOM 695 H7 UFX A 58 7.087 22.460 3.189 1.00 0.00 H +ATOM 696 H8 UFX A 58 7.217 24.692 4.985 1.00 0.00 H +ATOM 697 C1 UFX A 59 18.522 21.661 16.998 1.00 0.00 C +ATOM 698 C2 UFX A 59 19.702 20.755 17.301 1.00 0.00 C +ATOM 699 C3 UFX A 59 19.245 19.720 18.332 1.00 0.00 C +ATOM 700 O1 UFX A 59 18.823 20.322 19.489 1.00 0.00 O +ATOM 701 H1 UFX A 59 17.781 21.032 16.483 1.00 0.00 H +ATOM 702 H2 UFX A 59 18.131 22.119 17.927 1.00 0.00 H +ATOM 703 H3 UFX A 59 18.875 22.489 16.359 1.00 0.00 H +ATOM 704 H4 UFX A 59 20.017 20.291 16.370 1.00 0.00 H +ATOM 705 H5 UFX A 59 20.535 21.313 17.743 1.00 0.00 H +ATOM 706 H6 UFX A 59 20.022 18.956 18.430 1.00 0.00 H +ATOM 707 H7 UFX A 59 18.358 19.226 17.874 1.00 0.00 H +ATOM 708 H8 UFX A 59 19.540 20.451 20.182 1.00 0.00 H +ATOM 709 C1 UFX A 60 31.515 8.762 20.767 1.00 0.00 C +ATOM 710 C2 UFX A 60 32.032 7.686 19.828 1.00 0.00 C +ATOM 711 C3 UFX A 60 30.922 6.645 19.653 1.00 0.00 C +ATOM 712 O1 UFX A 60 30.577 6.078 20.852 1.00 0.00 O +ATOM 713 H1 UFX A 60 30.707 9.274 20.225 1.00 0.00 H +ATOM 714 H2 UFX A 60 31.181 8.319 21.726 1.00 0.00 H +ATOM 715 H3 UFX A 60 32.348 9.444 21.006 1.00 0.00 H +ATOM 716 H4 UFX A 60 32.298 8.160 18.888 1.00 0.00 H +ATOM 717 H5 UFX A 60 32.902 7.169 20.248 1.00 0.00 H +ATOM 718 H6 UFX A 60 31.207 5.961 18.848 1.00 0.00 H +ATOM 719 H7 UFX A 60 30.039 7.221 19.293 1.00 0.00 H +ATOM 720 H8 UFX A 60 31.090 5.246 21.086 1.00 0.00 H +ATOM 721 C1 UFX A 61 11.844 2.177 30.345 1.00 0.00 C +ATOM 722 C2 UFX A 61 11.987 1.870 28.865 1.00 0.00 C +ATOM 723 C3 UFX A 61 13.472 1.633 28.577 1.00 0.00 C +ATOM 724 O1 UFX A 61 14.223 2.737 28.889 1.00 0.00 O +ATOM 725 H1 UFX A 61 12.108 1.249 30.874 1.00 0.00 H +ATOM 726 H2 UFX A 61 12.484 3.035 30.632 1.00 0.00 H +ATOM 727 H3 UFX A 61 10.801 2.480 30.539 1.00 0.00 H +ATOM 728 H4 UFX A 61 11.383 0.994 28.644 1.00 0.00 H +ATOM 729 H5 UFX A 61 11.664 2.715 28.246 1.00 0.00 H +ATOM 730 H6 UFX A 61 13.573 1.240 27.561 1.00 0.00 H +ATOM 731 H7 UFX A 61 13.775 0.818 29.274 1.00 0.00 H +ATOM 732 H8 UFX A 61 14.351 3.385 28.132 1.00 0.00 H +ATOM 733 C1 UFX A 62 12.063 32.005 10.830 1.00 0.00 C +ATOM 734 C2 UFX A 62 12.134 32.047 12.346 1.00 0.00 C +ATOM 735 C3 UFX A 62 13.611 32.011 12.747 1.00 0.00 C +ATOM 736 O1 UFX A 62 14.223 30.872 12.293 1.00 0.00 O +ATOM 737 H1 UFX A 62 12.492 32.956 10.480 1.00 0.00 H +ATOM 738 H2 UFX A 62 12.597 31.118 10.436 1.00 0.00 H +ATOM 739 H3 UFX A 62 11.006 31.896 10.534 1.00 0.00 H +ATOM 740 H4 UFX A 62 11.643 32.957 12.680 1.00 0.00 H +ATOM 741 H5 UFX A 62 11.651 31.173 12.796 1.00 0.00 H +ATOM 742 H6 UFX A 62 13.689 32.218 13.818 1.00 0.00 H +ATOM 743 H7 UFX A 62 14.077 32.872 12.214 1.00 0.00 H +ATOM 744 H8 UFX A 62 14.202 30.099 12.935 1.00 0.00 H +ATOM 745 C1 UFX A 63 26.161 7.313 8.959 1.00 0.00 C +ATOM 746 C2 UFX A 63 26.153 7.828 7.531 1.00 0.00 C +ATOM 747 C3 UFX A 63 25.649 6.698 6.629 1.00 0.00 C +ATOM 748 O1 UFX A 63 26.459 5.595 6.712 1.00 0.00 O +ATOM 749 H1 UFX A 63 25.107 7.160 9.232 1.00 0.00 H +ATOM 750 H2 UFX A 63 26.769 6.391 9.040 1.00 0.00 H +ATOM 751 H3 UFX A 63 26.646 8.071 9.599 1.00 0.00 H +ATOM 752 H4 UFX A 63 25.505 8.700 7.492 1.00 0.00 H +ATOM 753 H5 UFX A 63 27.160 8.093 7.192 1.00 0.00 H +ATOM 754 H6 UFX A 63 25.468 7.102 5.629 1.00 0.00 H +ATOM 755 H7 UFX A 63 24.657 6.412 7.049 1.00 0.00 H +ATOM 756 H8 UFX A 63 27.207 5.571 6.042 1.00 0.00 H +ATOM 757 C1 UFX A 64 29.874 8.840 4.035 1.00 0.00 C +ATOM 758 C2 UFX A 64 28.587 8.107 4.369 1.00 0.00 C +ATOM 759 C3 UFX A 64 27.440 9.120 4.298 1.00 0.00 C +ATOM 760 O1 UFX A 64 27.626 10.146 5.187 1.00 0.00 O +ATOM 761 H1 UFX A 64 29.794 9.128 2.976 1.00 0.00 H +ATOM 762 H2 UFX A 64 30.019 9.707 4.709 1.00 0.00 H +ATOM 763 H3 UFX A 64 30.720 8.155 4.212 1.00 0.00 H +ATOM 764 H4 UFX A 64 28.464 7.301 3.651 1.00 0.00 H +ATOM 765 H5 UFX A 64 28.606 7.705 5.387 1.00 0.00 H +ATOM 766 H6 UFX A 64 26.492 8.579 4.360 1.00 0.00 H +ATOM 767 H7 UFX A 64 27.501 9.555 3.274 1.00 0.00 H +ATOM 768 H8 UFX A 64 27.216 9.996 6.093 1.00 0.00 H +ATOM 769 C1 UFX A 65 20.594 4.891 10.067 1.00 0.00 C +ATOM 770 C2 UFX A 65 19.181 5.239 10.501 1.00 0.00 C +ATOM 771 C3 UFX A 65 18.981 6.742 10.282 1.00 0.00 C +ATOM 772 O1 UFX A 65 19.878 7.476 11.014 1.00 0.00 O +ATOM 773 H1 UFX A 65 20.622 5.041 8.978 1.00 0.00 H +ATOM 774 H2 UFX A 65 21.335 5.510 10.609 1.00 0.00 H +ATOM 775 H3 UFX A 65 20.793 3.842 10.344 1.00 0.00 H +ATOM 776 H4 UFX A 65 18.491 4.646 9.908 1.00 0.00 H +ATOM 777 H5 UFX A 65 19.027 5.041 11.568 1.00 0.00 H +ATOM 778 H6 UFX A 65 17.922 6.978 10.421 1.00 0.00 H +ATOM 779 H7 UFX A 65 19.215 6.911 9.206 1.00 0.00 H +ATOM 780 H8 UFX A 65 19.559 7.737 11.931 1.00 0.00 H +ATOM 781 C1 UFX A 66 23.595 24.307 12.593 1.00 0.00 C +ATOM 782 C2 UFX A 66 24.580 25.277 13.221 1.00 0.00 C +ATOM 783 C3 UFX A 66 23.781 26.274 14.065 1.00 0.00 C +ATOM 784 O1 UFX A 66 22.882 26.969 13.298 1.00 0.00 O +ATOM 785 H1 UFX A 66 23.172 23.724 13.424 1.00 0.00 H +ATOM 786 H2 UFX A 66 22.827 24.851 12.009 1.00 0.00 H +ATOM 787 H3 UFX A 66 24.144 23.668 11.880 1.00 0.00 H +ATOM 788 H4 UFX A 66 25.280 24.703 13.823 1.00 0.00 H +ATOM 789 H5 UFX A 66 25.121 25.851 12.460 1.00 0.00 H +ATOM 790 H6 UFX A 66 24.480 26.866 14.662 1.00 0.00 H +ATOM 791 H7 UFX A 66 23.195 25.648 14.776 1.00 0.00 H +ATOM 792 H8 UFX A 66 23.233 27.829 12.915 1.00 0.00 H +ATOM 793 C1 UFX A 67 2.737 6.449 25.448 1.00 0.00 C +ATOM 794 C2 UFX A 67 1.402 6.768 26.096 1.00 0.00 C +ATOM 795 C3 UFX A 67 1.240 8.291 26.109 1.00 0.00 C +ATOM 796 O1 UFX A 67 2.247 8.893 26.818 1.00 0.00 O +ATOM 797 H1 UFX A 67 2.642 6.750 24.394 1.00 0.00 H +ATOM 798 H2 UFX A 67 3.563 6.969 25.973 1.00 0.00 H +ATOM 799 H3 UFX A 67 2.925 5.367 25.552 1.00 0.00 H +ATOM 800 H4 UFX A 67 0.622 6.280 25.518 1.00 0.00 H +ATOM 801 H5 UFX A 67 1.368 6.426 27.136 1.00 0.00 H +ATOM 802 H6 UFX A 67 0.215 8.531 26.409 1.00 0.00 H +ATOM 803 H7 UFX A 67 1.350 8.603 25.046 1.00 0.00 H +ATOM 804 H8 UFX A 67 2.050 9.031 27.794 1.00 0.00 H +ATOM 805 C1 UFX A 68 5.380 32.194 15.308 1.00 0.00 C +ATOM 806 C2 UFX A 68 4.558 31.487 14.246 1.00 0.00 C +ATOM 807 C3 UFX A 68 3.825 30.323 14.919 1.00 0.00 C +ATOM 808 O1 UFX A 68 4.706 29.435 15.479 1.00 0.00 O +ATOM 809 H1 UFX A 68 4.656 32.654 15.996 1.00 0.00 H +ATOM 810 H2 UFX A 68 6.065 31.483 15.812 1.00 0.00 H +ATOM 811 H3 UFX A 68 6.014 32.948 14.812 1.00 0.00 H +ATOM 812 H4 UFX A 68 3.869 32.210 13.818 1.00 0.00 H +ATOM 813 H5 UFX A 68 5.194 31.063 13.461 1.00 0.00 H +ATOM 814 H6 UFX A 68 3.096 29.914 14.213 1.00 0.00 H +ATOM 815 H7 UFX A 68 3.248 30.787 15.751 1.00 0.00 H +ATOM 816 H8 UFX A 68 4.992 28.687 14.873 1.00 0.00 H +ATOM 817 C1 UFX A 69 20.230 14.229 2.442 1.00 0.00 C +ATOM 818 C2 UFX A 69 21.100 15.332 1.866 1.00 0.00 C +ATOM 819 C3 UFX A 69 22.393 14.689 1.356 1.00 0.00 C +ATOM 820 O1 UFX A 69 23.068 14.056 2.367 1.00 0.00 O +ATOM 821 H1 UFX A 69 19.935 13.599 1.590 1.00 0.00 H +ATOM 822 H2 UFX A 69 20.774 13.669 3.227 1.00 0.00 H +ATOM 823 H3 UFX A 69 19.357 14.695 2.931 1.00 0.00 H +ATOM 824 H4 UFX A 69 20.544 15.817 1.068 1.00 0.00 H +ATOM 825 H5 UFX A 69 21.379 16.066 2.630 1.00 0.00 H +ATOM 826 H6 UFX A 69 22.952 15.434 0.782 1.00 0.00 H +ATOM 827 H7 UFX A 69 22.063 13.905 0.637 1.00 0.00 H +ATOM 828 H8 UFX A 69 23.739 14.629 2.848 1.00 0.00 H +ATOM 829 C1 UFX A 70 18.758 22.354 10.603 1.00 0.00 C +ATOM 830 C2 UFX A 70 18.528 23.782 10.141 1.00 0.00 C +ATOM 831 C3 UFX A 70 19.773 24.229 9.369 1.00 0.00 C +ATOM 832 O1 UFX A 70 20.893 24.179 10.156 1.00 0.00 O +ATOM 833 H1 UFX A 70 18.781 21.740 9.691 1.00 0.00 H +ATOM 834 H2 UFX A 70 19.688 22.279 11.200 1.00 0.00 H +ATOM 835 H3 UFX A 70 17.928 22.068 11.272 1.00 0.00 H +ATOM 836 H4 UFX A 70 17.637 23.795 9.520 1.00 0.00 H +ATOM 837 H5 UFX A 70 18.406 24.465 10.989 1.00 0.00 H +ATOM 838 H6 UFX A 70 19.557 25.184 8.880 1.00 0.00 H +ATOM 839 H7 UFX A 70 19.901 23.472 8.562 1.00 0.00 H +ATOM 840 H8 UFX A 70 21.099 25.029 10.650 1.00 0.00 H +ATOM 841 C1 UFX A 71 22.159 23.474 19.447 1.00 0.00 C +ATOM 842 C2 UFX A 71 23.542 22.861 19.327 1.00 0.00 C +ATOM 843 C3 UFX A 71 23.682 22.298 17.909 1.00 0.00 C +ATOM 844 O1 UFX A 71 22.735 21.340 17.658 1.00 0.00 O +ATOM 845 H1 UFX A 71 22.154 24.346 18.776 1.00 0.00 H +ATOM 846 H2 UFX A 71 21.376 22.731 19.197 1.00 0.00 H +ATOM 847 H3 UFX A 71 21.997 23.764 20.500 1.00 0.00 H +ATOM 848 H4 UFX A 71 24.274 23.639 19.530 1.00 0.00 H +ATOM 849 H5 UFX A 71 23.675 22.028 20.025 1.00 0.00 H +ATOM 850 H6 UFX A 71 24.726 22.012 17.748 1.00 0.00 H +ATOM 851 H7 UFX A 71 23.472 23.158 17.234 1.00 0.00 H +ATOM 852 H8 UFX A 71 23.017 20.401 17.879 1.00 0.00 H +ATOM 853 C1 UFX A 72 14.429 22.015 18.872 1.00 0.00 C +ATOM 854 C2 UFX A 72 15.496 21.102 18.295 1.00 0.00 C +ATOM 855 C3 UFX A 72 14.964 19.667 18.348 1.00 0.00 C +ATOM 856 O1 UFX A 72 14.685 19.286 19.635 1.00 0.00 O +ATOM 857 H1 UFX A 72 13.586 21.981 18.165 1.00 0.00 H +ATOM 858 H2 UFX A 72 14.149 21.694 19.895 1.00 0.00 H +ATOM 859 H3 UFX A 72 14.851 23.030 18.961 1.00 0.00 H +ATOM 860 H4 UFX A 72 15.699 21.424 17.277 1.00 0.00 H +ATOM 861 H5 UFX A 72 16.416 21.133 18.889 1.00 0.00 H +ATOM 862 H6 UFX A 72 15.640 19.022 17.779 1.00 0.00 H +ATOM 863 H7 UFX A 72 13.998 19.695 17.795 1.00 0.00 H +ATOM 864 H8 UFX A 72 15.448 18.844 20.117 1.00 0.00 H +ATOM 865 C1 UFX A 73 4.955 9.947 20.812 1.00 0.00 C +ATOM 866 C2 UFX A 73 4.474 9.366 19.494 1.00 0.00 C +ATOM 867 C3 UFX A 73 5.671 8.691 18.817 1.00 0.00 C +ATOM 868 O1 UFX A 73 6.680 9.587 18.579 1.00 0.00 O +ATOM 869 H1 UFX A 73 5.213 9.087 21.447 1.00 0.00 H +ATOM 870 H2 UFX A 73 5.807 10.637 20.650 1.00 0.00 H +ATOM 871 H3 UFX A 73 4.137 10.549 21.245 1.00 0.00 H +ATOM 872 H4 UFX A 73 3.676 8.660 19.709 1.00 0.00 H +ATOM 873 H5 UFX A 73 4.113 10.148 18.817 1.00 0.00 H +ATOM 874 H6 UFX A 73 5.309 8.118 17.958 1.00 0.00 H +ATOM 875 H7 UFX A 73 6.049 7.956 19.563 1.00 0.00 H +ATOM 876 H8 UFX A 73 6.639 10.038 17.682 1.00 0.00 H +ATOM 877 C1 UFX A 74 6.267 1.682 25.281 1.00 0.00 C +ATOM 878 C2 UFX A 74 7.086 0.861 26.262 1.00 0.00 C +ATOM 879 C3 UFX A 74 7.426 1.760 27.454 1.00 0.00 C +ATOM 880 O1 UFX A 74 8.148 2.857 27.062 1.00 0.00 O +ATOM 881 H1 UFX A 74 5.311 1.888 25.783 1.00 0.00 H +ATOM 882 H2 UFX A 74 6.811 2.602 24.989 1.00 0.00 H +ATOM 883 H3 UFX A 74 6.130 1.089 24.361 1.00 0.00 H +ATOM 884 H4 UFX A 74 6.493 -0.000 26.556 1.00 0.00 H +ATOM 885 H5 UFX A 74 8.032 0.532 25.819 1.00 0.00 H +ATOM 886 H6 UFX A 74 7.860 1.142 28.245 1.00 0.00 H +ATOM 887 H7 UFX A 74 6.444 2.127 27.829 1.00 0.00 H +ATOM 888 H8 UFX A 74 9.145 2.733 27.084 1.00 0.00 H +ATOM 889 C1 UFX A 75 32.101 13.186 16.702 1.00 0.00 C +ATOM 890 C2 UFX A 75 31.625 11.753 16.862 1.00 0.00 C +ATOM 891 C3 UFX A 75 31.302 11.531 18.342 1.00 0.00 C +ATOM 892 O1 UFX A 75 32.404 11.736 19.130 1.00 0.00 O +ATOM 893 H1 UFX A 75 31.229 13.821 16.917 1.00 0.00 H +ATOM 894 H2 UFX A 75 32.961 13.391 17.370 1.00 0.00 H +ATOM 895 H3 UFX A 75 32.463 13.319 15.668 1.00 0.00 H +ATOM 896 H4 UFX A 75 30.753 11.616 16.229 1.00 0.00 H +ATOM 897 H5 UFX A 75 32.407 11.037 16.586 1.00 0.00 H +ATOM 898 H6 UFX A 75 30.793 10.568 18.448 1.00 0.00 H +ATOM 899 H7 UFX A 75 30.559 12.321 18.599 1.00 0.00 H +ATOM 900 H8 UFX A 75 32.958 10.916 19.300 1.00 0.00 H +ATOM 901 C1 UFX A 76 12.153 26.586 4.273 1.00 0.00 C +ATOM 902 C2 UFX A 76 11.302 25.934 3.198 1.00 0.00 C +ATOM 903 C3 UFX A 76 10.863 27.029 2.221 1.00 0.00 C +ATOM 904 O1 UFX A 76 10.133 28.000 2.855 1.00 0.00 O +ATOM 905 H1 UFX A 76 13.071 26.924 3.770 1.00 0.00 H +ATOM 906 H2 UFX A 76 11.600 27.410 4.765 1.00 0.00 H +ATOM 907 H3 UFX A 76 12.363 25.834 5.053 1.00 0.00 H +ATOM 908 H4 UFX A 76 11.902 25.170 2.711 1.00 0.00 H +ATOM 909 H5 UFX A 76 10.394 25.488 3.619 1.00 0.00 H +ATOM 910 H6 UFX A 76 10.401 26.556 1.350 1.00 0.00 H +ATOM 911 H7 UFX A 76 11.809 27.502 1.872 1.00 0.00 H +ATOM 912 H8 UFX A 76 9.140 27.842 2.863 1.00 0.00 H +ATOM 913 C1 UFX A 77 20.653 18.729 1.226 1.00 0.00 C +ATOM 914 C2 UFX A 77 22.154 18.583 1.050 1.00 0.00 C +ATOM 915 C3 UFX A 77 22.809 18.821 2.414 1.00 0.00 C +ATOM 916 O1 UFX A 77 22.525 20.073 2.892 1.00 0.00 O +ATOM 917 H1 UFX A 77 20.338 17.887 1.860 1.00 0.00 H +ATOM 918 H2 UFX A 77 20.402 19.716 1.661 1.00 0.00 H +ATOM 919 H3 UFX A 77 20.181 18.692 0.229 1.00 0.00 H +ATOM 920 H4 UFX A 77 22.352 17.584 0.671 1.00 0.00 H +ATOM 921 H5 UFX A 77 22.553 19.334 0.359 1.00 0.00 H +ATOM 922 H6 UFX A 77 23.866 18.548 2.346 1.00 0.00 H +ATOM 923 H7 UFX A 77 22.327 18.087 3.099 1.00 0.00 H +ATOM 924 H8 UFX A 77 23.190 20.782 2.635 1.00 0.00 H +ATOM 925 C1 UFX A 78 27.824 29.251 1.016 1.00 0.00 C +ATOM 926 C2 UFX A 78 28.941 29.788 1.893 1.00 0.00 C +ATOM 927 C3 UFX A 78 28.373 30.945 2.719 1.00 0.00 C +ATOM 928 O1 UFX A 78 27.903 31.949 1.913 1.00 0.00 O +ATOM 929 H1 UFX A 78 27.092 28.799 1.700 1.00 0.00 H +ATOM 930 H2 UFX A 78 27.393 30.058 0.391 1.00 0.00 H +ATOM 931 H3 UFX A 78 28.254 28.508 0.322 1.00 0.00 H +ATOM 932 H4 UFX A 78 29.296 28.975 2.521 1.00 0.00 H +ATOM 933 H5 UFX A 78 29.767 30.187 1.293 1.00 0.00 H +ATOM 934 H6 UFX A 78 29.107 31.227 3.479 1.00 0.00 H +ATOM 935 H7 UFX A 78 27.497 30.515 3.256 1.00 0.00 H +ATOM 936 H8 UFX A 78 28.577 32.659 1.689 1.00 0.00 H +ATOM 937 C1 UFX A 79 31.275 10.020 27.184 1.00 0.00 C +ATOM 938 C2 UFX A 79 30.554 9.564 25.928 1.00 0.00 C +ATOM 939 C3 UFX A 79 31.595 9.430 24.814 1.00 0.00 C +ATOM 940 O1 UFX A 79 32.223 10.624 24.571 1.00 0.00 O +ATOM 941 H1 UFX A 79 31.926 9.184 27.481 1.00 0.00 H +ATOM 942 H2 UFX A 79 31.834 10.958 26.998 1.00 0.00 H +ATOM 943 H3 UFX A 79 30.520 10.248 27.956 1.00 0.00 H +ATOM 944 H4 UFX A 79 30.066 8.618 26.146 1.00 0.00 H +ATOM 945 H5 UFX A 79 29.815 10.302 25.599 1.00 0.00 H +ATOM 946 H6 UFX A 79 31.129 8.936 23.956 1.00 0.00 H +ATOM 947 H7 UFX A 79 32.362 8.728 25.216 1.00 0.00 H +ATOM 948 H8 UFX A 79 31.787 11.193 23.867 1.00 0.00 H +ATOM 949 C1 UFX A 80 22.592 17.158 19.104 1.00 0.00 C +ATOM 950 C2 UFX A 80 24.068 16.851 19.286 1.00 0.00 C +ATOM 951 C3 UFX A 80 24.789 18.173 19.563 1.00 0.00 C +ATOM 952 O1 UFX A 80 24.631 19.054 18.526 1.00 0.00 O +ATOM 953 H1 UFX A 80 22.229 17.497 20.086 1.00 0.00 H +ATOM 954 H2 UFX A 80 22.443 17.909 18.304 1.00 0.00 H +ATOM 955 H3 UFX A 80 22.084 16.236 18.773 1.00 0.00 H +ATOM 956 H4 UFX A 80 24.166 16.152 20.112 1.00 0.00 H +ATOM 957 H5 UFX A 80 24.505 16.423 18.377 1.00 0.00 H +ATOM 958 H6 UFX A 80 25.816 17.954 19.870 1.00 0.00 H +ATOM 959 H7 UFX A 80 24.270 18.607 20.448 1.00 0.00 H +ATOM 960 H8 UFX A 80 25.344 19.005 17.819 1.00 0.00 H +ATOM 961 C1 UFX A 81 18.642 27.184 0.639 1.00 0.00 C +ATOM 962 C2 UFX A 81 18.754 28.653 1.006 1.00 0.00 C +ATOM 963 C3 UFX A 81 17.418 29.084 1.620 1.00 0.00 C +ATOM 964 O1 UFX A 81 16.385 28.912 0.736 1.00 0.00 O +ATOM 965 H1 UFX A 81 18.559 26.638 1.590 1.00 0.00 H +ATOM 966 H2 UFX A 81 17.779 27.012 -0.035 1.00 0.00 H +ATOM 967 H3 UFX A 81 19.547 26.896 0.077 1.00 0.00 H +ATOM 968 H4 UFX A 81 19.578 28.762 1.706 1.00 0.00 H +ATOM 969 H5 UFX A 81 18.925 29.277 0.122 1.00 0.00 H +ATOM 970 H6 UFX A 81 17.538 30.083 2.050 1.00 0.00 H +ATOM 971 H7 UFX A 81 17.249 28.383 2.468 1.00 0.00 H +ATOM 972 H8 UFX A 81 16.188 29.711 0.159 1.00 0.00 H +ATOM 973 C1 UFX A 82 8.057 15.375 11.920 1.00 0.00 C +ATOM 974 C2 UFX A 82 9.351 16.078 11.549 1.00 0.00 C +ATOM 975 C3 UFX A 82 10.085 16.422 12.848 1.00 0.00 C +ATOM 976 O1 UFX A 82 9.332 17.245 13.644 1.00 0.00 O +ATOM 977 H1 UFX A 82 8.351 14.412 12.363 1.00 0.00 H +ATOM 978 H2 UFX A 82 7.453 16.001 12.606 1.00 0.00 H +ATOM 979 H3 UFX A 82 7.459 15.242 11.003 1.00 0.00 H +ATOM 980 H4 UFX A 82 9.929 15.406 10.920 1.00 0.00 H +ATOM 981 H5 UFX A 82 9.161 17.018 11.021 1.00 0.00 H +ATOM 982 H6 UFX A 82 11.094 16.766 12.600 1.00 0.00 H +ATOM 983 H7 UFX A 82 10.195 15.452 13.385 1.00 0.00 H +ATOM 984 H8 UFX A 82 9.482 18.227 13.495 1.00 0.00 H +ATOM 985 C1 UFX A 83 15.406 10.187 12.004 1.00 0.00 C +ATOM 986 C2 UFX A 83 15.860 11.224 10.992 1.00 0.00 C +ATOM 987 C3 UFX A 83 15.834 12.592 11.680 1.00 0.00 C +ATOM 988 O1 UFX A 83 14.575 12.904 12.121 1.00 0.00 O +ATOM 989 H1 UFX A 83 16.191 10.150 12.773 1.00 0.00 H +ATOM 990 H2 UFX A 83 14.410 10.447 12.413 1.00 0.00 H +ATOM 991 H3 UFX A 83 15.293 9.220 11.484 1.00 0.00 H +ATOM 992 H4 UFX A 83 16.858 10.954 10.659 1.00 0.00 H +ATOM 993 H5 UFX A 83 15.178 11.275 10.135 1.00 0.00 H +ATOM 994 H6 UFX A 83 16.323 13.321 11.028 1.00 0.00 H +ATOM 995 H7 UFX A 83 16.480 12.475 12.580 1.00 0.00 H +ATOM 996 H8 UFX A 83 14.012 13.412 11.461 1.00 0.00 H +ATOM 997 C1 UFX A 84 22.813 23.323 28.200 1.00 0.00 C +ATOM 998 C2 UFX A 84 23.104 24.222 27.012 1.00 0.00 C +ATOM 999 C3 UFX A 84 22.792 23.430 25.739 1.00 0.00 C +ATOM 1000 O1 UFX A 84 23.560 22.298 25.654 1.00 0.00 O +ATOM 1001 H1 UFX A 84 21.724 23.168 28.203 1.00 0.00 H +ATOM 1002 H2 UFX A 84 23.385 22.377 28.127 1.00 0.00 H +ATOM 1003 H3 UFX A 84 23.159 23.833 29.115 1.00 0.00 H +ATOM 1004 H4 UFX A 84 22.485 25.110 27.102 1.00 0.00 H +ATOM 1005 H5 UFX A 84 24.162 24.504 26.971 1.00 0.00 H +ATOM 1006 H6 UFX A 84 22.826 24.113 24.885 1.00 0.00 H +ATOM 1007 H7 UFX A 84 21.733 23.104 25.853 1.00 0.00 H +ATOM 1008 H8 UFX A 84 24.431 22.416 25.167 1.00 0.00 H +ATOM 1009 C1 UFX A 85 30.900 3.736 27.494 1.00 0.00 C +ATOM 1010 C2 UFX A 85 30.268 3.057 26.292 1.00 0.00 C +ATOM 1011 C3 UFX A 85 28.753 3.022 26.518 1.00 0.00 C +ATOM 1012 O1 UFX A 85 28.435 2.326 27.655 1.00 0.00 O +ATOM 1013 H1 UFX A 85 30.567 4.784 27.461 1.00 0.00 H +ATOM 1014 H2 UFX A 85 30.613 3.221 28.432 1.00 0.00 H +ATOM 1015 H3 UFX A 85 31.996 3.649 27.406 1.00 0.00 H +ATOM 1016 H4 UFX A 85 30.534 3.627 25.406 1.00 0.00 H +ATOM 1017 H5 UFX A 85 30.608 2.021 26.190 1.00 0.00 H +ATOM 1018 H6 UFX A 85 28.269 2.699 25.591 1.00 0.00 H +ATOM 1019 H7 UFX A 85 28.460 4.083 26.686 1.00 0.00 H +ATOM 1020 H8 UFX A 85 28.269 1.344 27.515 1.00 0.00 H +ATOM 1021 C1 UFX A 86 26.577 26.260 21.132 1.00 0.00 C +ATOM 1022 C2 UFX A 86 25.397 27.186 21.367 1.00 0.00 C +ATOM 1023 C3 UFX A 86 24.189 26.320 21.736 1.00 0.00 C +ATOM 1024 O1 UFX A 86 23.884 25.437 20.733 1.00 0.00 O +ATOM 1025 H1 UFX A 86 26.814 25.816 22.110 1.00 0.00 H +ATOM 1026 H2 UFX A 86 26.335 25.503 20.360 1.00 0.00 H +ATOM 1027 H3 UFX A 86 27.416 26.859 20.737 1.00 0.00 H +ATOM 1028 H4 UFX A 86 25.664 27.874 22.164 1.00 0.00 H +ATOM 1029 H5 UFX A 86 25.136 27.743 20.461 1.00 0.00 H +ATOM 1030 H6 UFX A 86 23.382 26.973 22.079 1.00 0.00 H +ATOM 1031 H7 UFX A 86 24.520 25.721 22.615 1.00 0.00 H +ATOM 1032 H8 UFX A 86 23.222 25.779 20.059 1.00 0.00 H +ATOM 1033 C1 UFX A 87 13.451 24.421 9.390 1.00 0.00 C +ATOM 1034 C2 UFX A 87 12.897 23.594 10.536 1.00 0.00 C +ATOM 1035 C3 UFX A 87 13.988 23.487 11.606 1.00 0.00 C +ATOM 1036 O1 UFX A 87 15.114 22.884 11.110 1.00 0.00 O +ATOM 1037 H1 UFX A 87 13.583 25.439 9.786 1.00 0.00 H +ATOM 1038 H2 UFX A 87 14.392 23.980 9.006 1.00 0.00 H +ATOM 1039 H3 UFX A 87 12.726 24.394 8.559 1.00 0.00 H +ATOM 1040 H4 UFX A 87 12.007 24.092 10.910 1.00 0.00 H +ATOM 1041 H5 UFX A 87 12.651 22.576 10.215 1.00 0.00 H +ATOM 1042 H6 UFX A 87 13.551 23.050 12.508 1.00 0.00 H +ATOM 1043 H7 UFX A 87 14.257 24.540 11.852 1.00 0.00 H +ATOM 1044 H8 UFX A 87 15.140 21.886 11.222 1.00 0.00 H +ATOM 1045 C1 UFX A 88 26.093 11.373 23.398 1.00 0.00 C +ATOM 1046 C2 UFX A 88 24.930 11.790 24.281 1.00 0.00 C +ATOM 1047 C3 UFX A 88 24.775 10.735 25.380 1.00 0.00 C +ATOM 1048 O1 UFX A 88 24.524 9.496 24.850 1.00 0.00 O +ATOM 1049 H1 UFX A 88 26.993 11.457 24.024 1.00 0.00 H +ATOM 1050 H2 UFX A 88 25.936 10.351 22.999 1.00 0.00 H +ATOM 1051 H3 UFX A 88 26.130 12.051 22.529 1.00 0.00 H +ATOM 1052 H4 UFX A 88 25.152 12.773 24.688 1.00 0.00 H +ATOM 1053 H5 UFX A 88 23.989 11.819 23.720 1.00 0.00 H +ATOM 1054 H6 UFX A 88 24.063 11.105 26.123 1.00 0.00 H +ATOM 1055 H7 UFX A 88 25.770 10.687 25.878 1.00 0.00 H +ATOM 1056 H8 UFX A 88 23.550 9.277 24.734 1.00 0.00 H +ATOM 1057 C1 UFX A 89 9.750 26.379 15.918 1.00 0.00 C +ATOM 1058 C2 UFX A 89 9.683 25.739 14.542 1.00 0.00 C +ATOM 1059 C3 UFX A 89 8.684 24.581 14.612 1.00 0.00 C +ATOM 1060 O1 UFX A 89 9.071 23.643 15.533 1.00 0.00 O +ATOM 1061 H1 UFX A 89 8.766 26.841 16.085 1.00 0.00 H +ATOM 1062 H2 UFX A 89 10.011 25.627 16.688 1.00 0.00 H +ATOM 1063 H3 UFX A 89 10.561 27.126 15.915 1.00 0.00 H +ATOM 1064 H4 UFX A 89 9.375 26.502 13.832 1.00 0.00 H +ATOM 1065 H5 UFX A 89 10.651 25.320 14.247 1.00 0.00 H +ATOM 1066 H6 UFX A 89 8.491 24.224 13.597 1.00 0.00 H +ATOM 1067 H7 UFX A 89 7.737 25.037 14.982 1.00 0.00 H +ATOM 1068 H8 UFX A 89 9.646 22.905 15.166 1.00 0.00 H +ATOM 1069 C1 UFX A 90 7.027 10.006 32.233 1.00 0.00 C +ATOM 1070 C2 UFX A 90 6.833 8.792 31.342 1.00 0.00 C +ATOM 1071 C3 UFX A 90 6.739 7.558 32.245 1.00 0.00 C +ATOM 1072 O1 UFX A 90 7.877 7.399 32.992 1.00 0.00 O +ATOM 1073 H1 UFX A 90 6.091 10.119 32.799 1.00 0.00 H +ATOM 1074 H2 UFX A 90 7.914 9.877 32.884 1.00 0.00 H +ATOM 1075 H3 UFX A 90 7.229 10.879 31.590 1.00 0.00 H +ATOM 1076 H4 UFX A 90 5.926 8.942 30.762 1.00 0.00 H +ATOM 1077 H5 UFX A 90 7.687 8.643 30.673 1.00 0.00 H +ATOM 1078 H6 UFX A 90 6.424 6.704 31.639 1.00 0.00 H +ATOM 1079 H7 UFX A 90 5.907 7.780 32.953 1.00 0.00 H +ATOM 1080 H8 UFX A 90 8.583 6.826 32.565 1.00 0.00 H +ATOM 1081 C1 UFX A 91 17.171 11.832 1.745 1.00 0.00 C +ATOM 1082 C2 UFX A 91 17.194 11.668 3.255 1.00 0.00 C +ATOM 1083 C3 UFX A 91 17.859 10.325 3.570 1.00 0.00 C +ATOM 1084 O1 UFX A 91 17.168 9.283 3.008 1.00 0.00 O +ATOM 1085 H1 UFX A 91 18.222 11.937 1.436 1.00 0.00 H +ATOM 1086 H2 UFX A 91 16.662 10.973 1.265 1.00 0.00 H +ATOM 1087 H3 UFX A 91 16.578 12.730 1.502 1.00 0.00 H +ATOM 1088 H4 UFX A 91 17.746 12.505 3.675 1.00 0.00 H +ATOM 1089 H5 UFX A 91 16.181 11.639 3.671 1.00 0.00 H +ATOM 1090 H6 UFX A 91 18.043 10.270 4.647 1.00 0.00 H +ATOM 1091 H7 UFX A 91 18.854 10.370 3.071 1.00 0.00 H +ATOM 1092 H8 UFX A 91 16.460 8.882 3.598 1.00 0.00 H +ATOM 1093 C1 UFX A 92 31.198 3.418 16.193 1.00 0.00 C +ATOM 1094 C2 UFX A 92 30.260 2.233 16.337 1.00 0.00 C +ATOM 1095 C3 UFX A 92 29.999 1.671 14.937 1.00 0.00 C +ATOM 1096 O1 UFX A 92 29.424 2.611 14.121 1.00 0.00 O +ATOM 1097 H1 UFX A 92 32.159 3.005 15.852 1.00 0.00 H +ATOM 1098 H2 UFX A 92 30.778 4.169 15.496 1.00 0.00 H +ATOM 1099 H3 UFX A 92 31.288 3.911 17.176 1.00 0.00 H +ATOM 1100 H4 UFX A 92 30.737 1.503 16.986 1.00 0.00 H +ATOM 1101 H5 UFX A 92 29.294 2.533 16.756 1.00 0.00 H +ATOM 1102 H6 UFX A 92 29.472 0.717 15.035 1.00 0.00 H +ATOM 1103 H7 UFX A 92 31.007 1.444 14.522 1.00 0.00 H +ATOM 1104 H8 UFX A 92 28.419 2.614 14.126 1.00 0.00 H +ATOM 1105 C1 UFX A 93 28.974 4.145 7.736 1.00 0.00 C +ATOM 1106 C2 UFX A 93 28.202 3.186 6.847 1.00 0.00 C +ATOM 1107 C3 UFX A 93 28.339 1.782 7.444 1.00 0.00 C +ATOM 1108 O1 UFX A 93 29.651 1.392 7.506 1.00 0.00 O +ATOM 1109 H1 UFX A 93 28.433 4.172 8.694 1.00 0.00 H +ATOM 1110 H2 UFX A 93 30.027 3.820 7.843 1.00 0.00 H +ATOM 1111 H3 UFX A 93 28.994 5.133 7.246 1.00 0.00 H +ATOM 1112 H4 UFX A 93 27.168 3.516 6.815 1.00 0.00 H +ATOM 1113 H5 UFX A 93 28.619 3.153 5.834 1.00 0.00 H +ATOM 1114 H6 UFX A 93 27.650 1.111 6.922 1.00 0.00 H +ATOM 1115 H7 UFX A 93 27.972 1.875 8.492 1.00 0.00 H +ATOM 1116 H8 UFX A 93 29.982 0.898 6.695 1.00 0.00 H +ATOM 1117 C1 UFX A 94 17.072 16.869 27.123 1.00 0.00 C +ATOM 1118 C2 UFX A 94 17.878 17.413 25.956 1.00 0.00 C +ATOM 1119 C3 UFX A 94 18.768 16.281 25.435 1.00 0.00 C +ATOM 1120 O1 UFX A 94 19.621 15.828 26.408 1.00 0.00 O +ATOM 1121 H1 UFX A 94 16.387 16.122 26.696 1.00 0.00 H +ATOM 1122 H2 UFX A 94 17.740 16.450 27.900 1.00 0.00 H +ATOM 1123 H3 UFX A 94 16.528 17.708 27.590 1.00 0.00 H +ATOM 1124 H4 UFX A 94 17.181 17.764 25.201 1.00 0.00 H +ATOM 1125 H5 UFX A 94 18.538 18.230 26.269 1.00 0.00 H +ATOM 1126 H6 UFX A 94 19.222 16.598 24.492 1.00 0.00 H +ATOM 1127 H7 UFX A 94 18.068 15.448 25.195 1.00 0.00 H +ATOM 1128 H8 UFX A 94 20.512 16.292 26.435 1.00 0.00 H +ATOM 1129 C1 UFX A 95 4.041 9.803 7.248 1.00 0.00 C +ATOM 1130 C2 UFX A 95 5.318 10.592 7.480 1.00 0.00 C +ATOM 1131 C3 UFX A 95 4.922 12.024 7.854 1.00 0.00 C +ATOM 1132 O1 UFX A 95 4.194 12.617 6.855 1.00 0.00 O +ATOM 1133 H1 UFX A 95 3.547 9.731 8.228 1.00 0.00 H +ATOM 1134 H2 UFX A 95 3.411 10.294 6.480 1.00 0.00 H +ATOM 1135 H3 UFX A 95 4.313 8.811 6.850 1.00 0.00 H +ATOM 1136 H4 UFX A 95 5.875 10.103 8.273 1.00 0.00 H +ATOM 1137 H5 UFX A 95 5.927 10.647 6.571 1.00 0.00 H +ATOM 1138 H6 UFX A 95 5.815 12.556 8.195 1.00 0.00 H +ATOM 1139 H7 UFX A 95 4.249 11.917 8.735 1.00 0.00 H +ATOM 1140 H8 UFX A 95 4.740 13.122 6.180 1.00 0.00 H +ATOM 1141 C1 UFX A 96 22.386 30.965 20.276 1.00 0.00 C +ATOM 1142 C2 UFX A 96 22.279 32.017 21.365 1.00 0.00 C +ATOM 1143 C3 UFX A 96 23.631 32.088 22.081 1.00 0.00 C +ATOM 1144 O1 UFX A 96 23.962 30.882 22.642 1.00 0.00 O +ATOM 1145 H1 UFX A 96 23.096 31.364 19.537 1.00 0.00 H +ATOM 1146 H2 UFX A 96 22.704 29.992 20.699 1.00 0.00 H +ATOM 1147 H3 UFX A 96 21.384 30.810 19.842 1.00 0.00 H +ATOM 1148 H4 UFX A 96 22.016 32.961 20.896 1.00 0.00 H +ATOM 1149 H5 UFX A 96 21.526 31.746 22.113 1.00 0.00 H +ATOM 1150 H6 UFX A 96 23.629 32.957 22.746 1.00 0.00 H +ATOM 1151 H7 UFX A 96 24.374 32.295 21.277 1.00 0.00 H +ATOM 1152 H8 UFX A 96 23.654 30.762 23.591 1.00 0.00 H +ATOM 1153 C1 UFX A 97 19.875 14.096 28.493 1.00 0.00 C +ATOM 1154 C2 UFX A 97 20.598 15.070 29.406 1.00 0.00 C +ATOM 1155 C3 UFX A 97 19.609 15.520 30.486 1.00 0.00 C +ATOM 1156 O1 UFX A 97 18.516 16.136 29.935 1.00 0.00 O +ATOM 1157 H1 UFX A 97 19.671 13.204 29.102 1.00 0.00 H +ATOM 1158 H2 UFX A 97 18.958 14.556 28.076 1.00 0.00 H +ATOM 1159 H3 UFX A 97 20.534 13.869 27.637 1.00 0.00 H +ATOM 1160 H4 UFX A 97 21.458 14.559 29.829 1.00 0.00 H +ATOM 1161 H5 UFX A 97 20.921 15.966 28.864 1.00 0.00 H +ATOM 1162 H6 UFX A 97 20.156 16.079 31.250 1.00 0.00 H +ATOM 1163 H7 UFX A 97 19.253 14.579 30.963 1.00 0.00 H +ATOM 1164 H8 UFX A 97 18.601 17.132 29.833 1.00 0.00 H +ATOM 1165 C1 UFX A 98 27.067 20.313 14.768 1.00 0.00 C +ATOM 1166 C2 UFX A 98 25.770 19.613 15.133 1.00 0.00 C +ATOM 1167 C3 UFX A 98 26.115 18.183 15.560 1.00 0.00 C +ATOM 1168 O1 UFX A 98 26.735 17.497 14.549 1.00 0.00 O +ATOM 1169 H1 UFX A 98 27.634 20.409 15.706 1.00 0.00 H +ATOM 1170 H2 UFX A 98 27.613 19.747 13.988 1.00 0.00 H +ATOM 1171 H3 UFX A 98 26.820 21.297 14.334 1.00 0.00 H +ATOM 1172 H4 UFX A 98 25.298 20.175 15.935 1.00 0.00 H +ATOM 1173 H5 UFX A 98 25.094 19.544 14.273 1.00 0.00 H +ATOM 1174 H6 UFX A 98 25.222 17.722 15.992 1.00 0.00 H +ATOM 1175 H7 UFX A 98 26.854 18.297 16.385 1.00 0.00 H +ATOM 1176 H8 UFX A 98 26.115 16.989 13.943 1.00 0.00 H +ATOM 1177 C1 UFX A 99 22.316 13.969 25.512 1.00 0.00 C +ATOM 1178 C2 UFX A 99 23.001 14.708 26.647 1.00 0.00 C +ATOM 1179 C3 UFX A 99 23.786 13.680 27.468 1.00 0.00 C +ATOM 1180 O1 UFX A 99 22.958 12.717 27.984 1.00 0.00 O +ATOM 1181 H1 UFX A 99 23.121 13.611 24.853 1.00 0.00 H +ATOM 1182 H2 UFX A 99 21.680 13.150 25.903 1.00 0.00 H +ATOM 1183 H3 UFX A 99 21.643 14.674 24.995 1.00 0.00 H +ATOM 1184 H4 UFX A 99 23.650 15.464 26.214 1.00 0.00 H +ATOM 1185 H5 UFX A 99 22.274 15.177 27.319 1.00 0.00 H +ATOM 1186 H6 UFX A 99 24.424 14.213 28.179 1.00 0.00 H +ATOM 1187 H7 UFX A 99 24.461 13.180 26.737 1.00 0.00 H +ATOM 1188 H8 UFX A 99 22.594 12.921 28.898 1.00 0.00 H +ATOM 1189 C1 UFX A 100 13.276 20.585 15.255 1.00 0.00 C +ATOM 1190 C2 UFX A 100 12.085 19.788 14.754 1.00 0.00 C +ATOM 1191 C3 UFX A 100 10.855 20.698 14.811 1.00 0.00 C +ATOM 1192 O1 UFX A 100 10.611 21.126 16.089 1.00 0.00 O +ATOM 1193 H1 UFX A 100 13.450 21.373 14.507 1.00 0.00 H +ATOM 1194 H2 UFX A 100 13.080 20.987 16.269 1.00 0.00 H +ATOM 1195 H3 UFX A 100 14.138 19.903 15.344 1.00 0.00 H +ATOM 1196 H4 UFX A 100 12.303 19.460 13.741 1.00 0.00 H +ATOM 1197 H5 UFX A 100 11.883 18.922 15.394 1.00 0.00 H +ATOM 1198 H6 UFX A 100 10.029 20.203 14.291 1.00 0.00 H +ATOM 1199 H7 UFX A 100 11.129 21.593 14.207 1.00 0.00 H +ATOM 1200 H8 UFX A 100 9.993 20.537 16.620 1.00 0.00 H +ATOM 1201 C1 UFX A 101 23.575 2.089 21.550 1.00 0.00 C +ATOM 1202 C2 UFX A 101 24.727 2.075 20.560 1.00 0.00 C +ATOM 1203 C3 UFX A 101 25.351 0.677 20.589 1.00 0.00 C +ATOM 1204 O1 UFX A 101 25.820 0.365 21.839 1.00 0.00 O +ATOM 1205 H1 UFX A 101 22.813 1.412 21.138 1.00 0.00 H +ATOM 1206 H2 UFX A 101 23.921 1.789 22.559 1.00 0.00 H +ATOM 1207 H3 UFX A 101 23.204 3.124 21.636 1.00 0.00 H +ATOM 1208 H4 UFX A 101 24.331 2.324 19.580 1.00 0.00 H +ATOM 1209 H5 UFX A 101 25.509 2.789 20.842 1.00 0.00 H +ATOM 1210 H6 UFX A 101 26.062 0.594 19.762 1.00 0.00 H +ATOM 1211 H7 UFX A 101 24.511 -0.021 20.367 1.00 0.00 H +ATOM 1212 H8 UFX A 101 26.779 0.615 22.002 1.00 0.00 H +ATOM 1213 C1 UFX A 102 19.054 1.313 17.213 1.00 0.00 C +ATOM 1214 C2 UFX A 102 17.855 2.098 17.717 1.00 0.00 C +ATOM 1215 C3 UFX A 102 17.219 1.299 18.858 1.00 0.00 C +ATOM 1216 O1 UFX A 102 16.809 0.063 18.433 1.00 0.00 O +ATOM 1217 H1 UFX A 102 19.788 1.323 18.032 1.00 0.00 H +ATOM 1218 H2 UFX A 102 18.755 0.290 16.912 1.00 0.00 H +ATOM 1219 H3 UFX A 102 19.440 1.811 16.307 1.00 0.00 H +ATOM 1220 H4 UFX A 102 18.206 3.072 18.047 1.00 0.00 H +ATOM 1221 H5 UFX A 102 17.096 2.217 16.936 1.00 0.00 H +ATOM 1222 H6 UFX A 102 16.468 1.926 19.347 1.00 0.00 H +ATOM 1223 H7 UFX A 102 18.040 1.141 19.594 1.00 0.00 H +ATOM 1224 H8 UFX A 102 15.861 0.025 18.101 1.00 0.00 H +ATOM 1225 C1 UFX A 103 14.338 7.762 26.993 1.00 0.00 C +ATOM 1226 C2 UFX A 103 13.208 7.967 27.987 1.00 0.00 C +ATOM 1227 C3 UFX A 103 13.685 7.458 29.350 1.00 0.00 C +ATOM 1228 O1 UFX A 103 14.013 6.128 29.299 1.00 0.00 O +ATOM 1229 H1 UFX A 103 15.142 8.446 27.304 1.00 0.00 H +ATOM 1230 H2 UFX A 103 14.655 6.701 26.973 1.00 0.00 H +ATOM 1231 H3 UFX A 103 13.961 8.000 25.984 1.00 0.00 H +ATOM 1232 H4 UFX A 103 12.967 9.026 28.008 1.00 0.00 H +ATOM 1233 H5 UFX A 103 12.321 7.386 27.712 1.00 0.00 H +ATOM 1234 H6 UFX A 103 12.957 7.757 30.109 1.00 0.00 H +ATOM 1235 H7 UFX A 103 14.623 8.023 29.558 1.00 0.00 H +ATOM 1236 H8 UFX A 103 13.258 5.501 29.516 1.00 0.00 H +ATOM 1237 C1 UFX A 104 29.652 7.352 16.302 1.00 0.00 C +ATOM 1238 C2 UFX A 104 28.809 8.485 16.858 1.00 0.00 C +ATOM 1239 C3 UFX A 104 27.337 8.093 16.703 1.00 0.00 C +ATOM 1240 O1 UFX A 104 27.012 7.885 15.387 1.00 0.00 O +ATOM 1241 H1 UFX A 104 29.497 6.498 16.978 1.00 0.00 H +ATOM 1242 H2 UFX A 104 29.371 7.131 15.254 1.00 0.00 H +ATOM 1243 H3 UFX A 104 30.706 7.678 16.286 1.00 0.00 H +ATOM 1244 H4 UFX A 104 29.084 8.630 17.899 1.00 0.00 H +ATOM 1245 H5 UFX A 104 28.961 9.413 16.296 1.00 0.00 H +ATOM 1246 H6 UFX A 104 26.723 8.811 17.253 1.00 0.00 H +ATOM 1247 H7 UFX A 104 27.241 7.114 17.226 1.00 0.00 H +ATOM 1248 H8 UFX A 104 26.674 8.698 14.904 1.00 0.00 H +ATOM 1249 C1 UFX A 105 12.043 4.622 25.685 1.00 0.00 C +ATOM 1250 C2 UFX A 105 10.562 4.945 25.604 1.00 0.00 C +ATOM 1251 C3 UFX A 105 9.932 4.000 24.577 1.00 0.00 C +ATOM 1252 O1 UFX A 105 10.501 4.157 23.340 1.00 0.00 O +ATOM 1253 H1 UFX A 105 12.111 3.616 26.123 1.00 0.00 H +ATOM 1254 H2 UFX A 105 12.515 4.692 24.685 1.00 0.00 H +ATOM 1255 H3 UFX A 105 12.530 5.382 26.320 1.00 0.00 H +ATOM 1256 H4 UFX A 105 10.135 4.813 26.595 1.00 0.00 H +ATOM 1257 H5 UFX A 105 10.391 5.969 25.255 1.00 0.00 H +ATOM 1258 H6 UFX A 105 8.844 4.095 24.634 1.00 0.00 H +ATOM 1259 H7 UFX A 105 10.188 2.975 24.931 1.00 0.00 H +ATOM 1260 H8 UFX A 105 10.046 4.832 22.751 1.00 0.00 H +ATOM 1261 C1 UFX A 106 3.358 20.167 28.628 1.00 0.00 C +ATOM 1262 C2 UFX A 106 2.553 21.328 29.185 1.00 0.00 C +ATOM 1263 C3 UFX A 106 1.143 20.816 29.491 1.00 0.00 C +ATOM 1264 O1 UFX A 106 0.531 20.336 28.362 1.00 0.00 O +ATOM 1265 H1 UFX A 106 3.472 19.453 29.456 1.00 0.00 H +ATOM 1266 H2 UFX A 106 2.854 19.729 27.744 1.00 0.00 H +ATOM 1267 H3 UFX A 106 4.331 20.554 28.280 1.00 0.00 H +ATOM 1268 H4 UFX A 106 3.057 21.690 30.076 1.00 0.00 H +ATOM 1269 H5 UFX A 106 2.456 22.138 28.453 1.00 0.00 H +ATOM 1270 H6 UFX A 106 0.605 21.585 30.053 1.00 0.00 H +ATOM 1271 H7 UFX A 106 1.291 19.953 30.180 1.00 0.00 H +ATOM 1272 H8 UFX A 106 -0.007 21.016 27.854 1.00 0.00 H +ATOM 1273 C1 UFX A 107 2.600 29.546 11.025 1.00 0.00 C +ATOM 1274 C2 UFX A 107 1.489 29.271 12.022 1.00 0.00 C +ATOM 1275 C3 UFX A 107 1.781 27.924 12.689 1.00 0.00 C +ATOM 1276 O1 UFX A 107 1.828 26.911 11.767 1.00 0.00 O +ATOM 1277 H1 UFX A 107 3.512 29.699 11.621 1.00 0.00 H +ATOM 1278 H2 UFX A 107 2.691 28.714 10.299 1.00 0.00 H +ATOM 1279 H3 UFX A 107 2.332 30.446 10.445 1.00 0.00 H +ATOM 1280 H4 UFX A 107 1.473 30.086 12.741 1.00 0.00 H +ATOM 1281 H5 UFX A 107 0.515 29.187 11.527 1.00 0.00 H +ATOM 1282 H6 UFX A 107 1.094 27.793 13.530 1.00 0.00 H +ATOM 1283 H7 UFX A 107 2.804 28.029 13.118 1.00 0.00 H +ATOM 1284 H8 UFX A 107 0.950 26.451 11.603 1.00 0.00 H +ATOM 1285 C1 UFX A 108 24.286 5.495 16.015 1.00 0.00 C +ATOM 1286 C2 UFX A 108 25.426 5.166 15.068 1.00 0.00 C +ATOM 1287 C3 UFX A 108 25.654 3.652 15.118 1.00 0.00 C +ATOM 1288 O1 UFX A 108 25.977 3.238 16.384 1.00 0.00 O +ATOM 1289 H1 UFX A 108 23.386 5.042 15.574 1.00 0.00 H +ATOM 1290 H2 UFX A 108 24.502 5.122 17.035 1.00 0.00 H +ATOM 1291 H3 UFX A 108 24.201 6.593 16.089 1.00 0.00 H +ATOM 1292 H4 UFX A 108 25.146 5.504 14.074 1.00 0.00 H +ATOM 1293 H5 UFX A 108 26.360 5.648 15.380 1.00 0.00 H +ATOM 1294 H6 UFX A 108 26.346 3.376 14.317 1.00 0.00 H +ATOM 1295 H7 UFX A 108 24.666 3.203 14.864 1.00 0.00 H +ATOM 1296 H8 UFX A 108 26.962 3.224 16.583 1.00 0.00 H +ATOM 1297 C1 UFX A 109 15.464 31.265 24.273 1.00 0.00 C +ATOM 1298 C2 UFX A 109 15.474 30.171 23.221 1.00 0.00 C +ATOM 1299 C3 UFX A 109 14.255 30.379 22.317 1.00 0.00 C +ATOM 1300 O1 UFX A 109 13.088 30.314 23.032 1.00 0.00 O +ATOM 1301 H1 UFX A 109 15.648 32.206 23.734 1.00 0.00 H +ATOM 1302 H2 UFX A 109 14.506 31.265 24.830 1.00 0.00 H +ATOM 1303 H3 UFX A 109 16.259 31.048 25.007 1.00 0.00 H +ATOM 1304 H4 UFX A 109 16.407 30.244 22.669 1.00 0.00 H +ATOM 1305 H5 UFX A 109 15.381 29.177 23.672 1.00 0.00 H +ATOM 1306 H6 UFX A 109 14.342 29.713 21.454 1.00 0.00 H +ATOM 1307 H7 UFX A 109 14.352 31.422 21.936 1.00 0.00 H +ATOM 1308 H8 UFX A 109 12.680 29.397 23.089 1.00 0.00 H +ATOM 1309 C1 UFX A 110 32.037 10.221 14.357 1.00 0.00 C +ATOM 1310 C2 UFX A 110 31.665 9.901 12.920 1.00 0.00 C +ATOM 1311 C3 UFX A 110 30.197 10.287 12.719 1.00 0.00 C +ATOM 1312 O1 UFX A 110 29.378 9.590 13.569 1.00 0.00 O +ATOM 1313 H1 UFX A 110 32.000 11.317 14.443 1.00 0.00 H +ATOM 1314 H2 UFX A 110 31.353 9.709 15.063 1.00 0.00 H +ATOM 1315 H3 UFX A 110 33.048 9.826 14.551 1.00 0.00 H +ATOM 1316 H4 UFX A 110 32.328 10.464 12.269 1.00 0.00 H +ATOM 1317 H5 UFX A 110 31.754 8.829 12.711 1.00 0.00 H +ATOM 1318 H6 UFX A 110 29.963 10.230 11.652 1.00 0.00 H +ATOM 1319 H7 UFX A 110 30.138 11.361 13.009 1.00 0.00 H +ATOM 1320 H8 UFX A 110 29.028 8.724 13.198 1.00 0.00 H +ATOM 1321 C1 UFX A 111 29.020 13.313 23.397 1.00 0.00 C +ATOM 1322 C2 UFX A 111 27.910 14.095 24.076 1.00 0.00 C +ATOM 1323 C3 UFX A 111 28.041 15.560 23.650 1.00 0.00 C +ATOM 1324 O1 UFX A 111 29.255 16.080 24.015 1.00 0.00 O +ATOM 1325 H1 UFX A 111 28.791 13.334 22.321 1.00 0.00 H +ATOM 1326 H2 UFX A 111 30.010 13.748 23.636 1.00 0.00 H +ATOM 1327 H3 UFX A 111 29.018 12.286 23.799 1.00 0.00 H +ATOM 1328 H4 UFX A 111 26.960 13.665 23.771 1.00 0.00 H +ATOM 1329 H5 UFX A 111 28.005 14.062 25.167 1.00 0.00 H +ATOM 1330 H6 UFX A 111 27.152 16.103 23.985 1.00 0.00 H +ATOM 1331 H7 UFX A 111 28.010 15.541 22.536 1.00 0.00 H +ATOM 1332 H8 UFX A 111 29.270 16.516 24.921 1.00 0.00 H +ATOM 1333 C1 UFX A 112 20.723 7.839 5.693 1.00 0.00 C +ATOM 1334 C2 UFX A 112 20.321 7.568 7.132 1.00 0.00 C +ATOM 1335 C3 UFX A 112 21.360 8.229 8.041 1.00 0.00 C +ATOM 1336 O1 UFX A 112 22.614 7.724 7.815 1.00 0.00 O +ATOM 1337 H1 UFX A 112 20.605 8.922 5.545 1.00 0.00 H +ATOM 1338 H2 UFX A 112 21.755 7.485 5.501 1.00 0.00 H +ATOM 1339 H3 UFX A 112 20.059 7.258 5.031 1.00 0.00 H +ATOM 1340 H4 UFX A 112 19.326 7.977 7.285 1.00 0.00 H +ATOM 1341 H5 UFX A 112 20.325 6.495 7.356 1.00 0.00 H +ATOM 1342 H6 UFX A 112 20.995 8.197 9.072 1.00 0.00 H +ATOM 1343 H7 UFX A 112 21.374 9.300 7.734 1.00 0.00 H +ATOM 1344 H8 UFX A 112 22.859 6.936 8.388 1.00 0.00 H +ATOM 1345 C1 UFX A 113 17.633 24.646 28.183 1.00 0.00 C +ATOM 1346 C2 UFX A 113 19.126 24.558 28.445 1.00 0.00 C +ATOM 1347 C3 UFX A 113 19.417 25.305 29.750 1.00 0.00 C +ATOM 1348 O1 UFX A 113 19.046 26.621 29.664 1.00 0.00 O +ATOM 1349 H1 UFX A 113 17.151 24.059 28.979 1.00 0.00 H +ATOM 1350 H2 UFX A 113 17.300 25.702 28.162 1.00 0.00 H +ATOM 1351 H3 UFX A 113 17.430 24.228 27.183 1.00 0.00 H +ATOM 1352 H4 UFX A 113 19.395 23.507 28.508 1.00 0.00 H +ATOM 1353 H5 UFX A 113 19.703 25.046 27.652 1.00 0.00 H +ATOM 1354 H6 UFX A 113 20.451 25.103 30.045 1.00 0.00 H +ATOM 1355 H7 UFX A 113 18.761 24.825 30.511 1.00 0.00 H +ATOM 1356 H8 UFX A 113 19.768 27.242 29.342 1.00 0.00 H +ATOM 1357 C1 UFX A 114 27.952 7.760 20.792 1.00 0.00 C +ATOM 1358 C2 UFX A 114 26.966 8.650 21.525 1.00 0.00 C +ATOM 1359 C3 UFX A 114 25.554 8.215 21.123 1.00 0.00 C +ATOM 1360 O1 UFX A 114 25.360 8.336 19.772 1.00 0.00 O +ATOM 1361 H1 UFX A 114 27.819 6.751 21.210 1.00 0.00 H +ATOM 1362 H2 UFX A 114 27.781 7.802 19.698 1.00 0.00 H +ATOM 1363 H3 UFX A 114 28.970 8.149 20.969 1.00 0.00 H +ATOM 1364 H4 UFX A 114 27.139 8.537 22.592 1.00 0.00 H +ATOM 1365 H5 UFX A 114 27.079 9.701 21.236 1.00 0.00 H +ATOM 1366 H6 UFX A 114 24.833 8.722 21.771 1.00 0.00 H +ATOM 1367 H7 UFX A 114 25.504 7.129 21.369 1.00 0.00 H +ATOM 1368 H8 UFX A 114 24.990 9.223 19.478 1.00 0.00 H +ATOM 1369 C1 UFX A 115 19.735 28.028 22.338 1.00 0.00 C +ATOM 1370 C2 UFX A 115 20.503 29.168 22.984 1.00 0.00 C +ATOM 1371 C3 UFX A 115 19.509 30.295 23.276 1.00 0.00 C +ATOM 1372 O1 UFX A 115 18.910 30.742 22.127 1.00 0.00 O +ATOM 1373 H1 UFX A 115 19.060 27.639 23.114 1.00 0.00 H +ATOM 1374 H2 UFX A 115 19.199 28.378 21.434 1.00 0.00 H +ATOM 1375 H3 UFX A 115 20.460 27.267 22.003 1.00 0.00 H +ATOM 1376 H4 UFX A 115 20.968 28.789 23.890 1.00 0.00 H +ATOM 1377 H5 UFX A 115 21.267 29.571 22.310 1.00 0.00 H +ATOM 1378 H6 UFX A 115 20.005 31.047 23.897 1.00 0.00 H +ATOM 1379 H7 UFX A 115 18.716 29.827 23.903 1.00 0.00 H +ATOM 1380 H8 UFX A 115 19.384 31.503 21.674 1.00 0.00 H +ATOM 1381 C1 UFX A 116 5.397 11.931 28.303 1.00 0.00 C +ATOM 1382 C2 UFX A 116 4.208 11.522 27.453 1.00 0.00 C +ATOM 1383 C3 UFX A 116 2.977 12.261 27.984 1.00 0.00 C +ATOM 1384 O1 UFX A 116 2.731 11.944 29.294 1.00 0.00 O +ATOM 1385 H1 UFX A 116 5.571 12.996 28.088 1.00 0.00 H +ATOM 1386 H2 UFX A 116 5.201 11.732 29.375 1.00 0.00 H +ATOM 1387 H3 UFX A 116 6.261 11.307 28.017 1.00 0.00 H +ATOM 1388 H4 UFX A 116 4.427 11.783 26.421 1.00 0.00 H +ATOM 1389 H5 UFX A 116 4.006 10.448 27.534 1.00 0.00 H +ATOM 1390 H6 UFX A 116 2.152 12.118 27.280 1.00 0.00 H +ATOM 1391 H7 UFX A 116 3.249 13.341 27.950 1.00 0.00 H +ATOM 1392 H8 UFX A 116 2.114 11.162 29.429 1.00 0.00 H +ATOM 1393 C1 UFX A 117 28.236 13.980 1.954 1.00 0.00 C +ATOM 1394 C2 UFX A 117 28.454 12.607 2.563 1.00 0.00 C +ATOM 1395 C3 UFX A 117 29.543 12.736 3.631 1.00 0.00 C +ATOM 1396 O1 UFX A 117 30.720 13.187 3.091 1.00 0.00 O +ATOM 1397 H1 UFX A 117 27.802 14.601 2.751 1.00 0.00 H +ATOM 1398 H2 UFX A 117 29.187 14.388 1.556 1.00 0.00 H +ATOM 1399 H3 UFX A 117 27.552 13.875 1.095 1.00 0.00 H +ATOM 1400 H4 UFX A 117 27.509 12.272 2.983 1.00 0.00 H +ATOM 1401 H5 UFX A 117 28.809 11.887 1.817 1.00 0.00 H +ATOM 1402 H6 UFX A 117 29.589 11.802 4.200 1.00 0.00 H +ATOM 1403 H7 UFX A 117 29.175 13.524 4.327 1.00 0.00 H +ATOM 1404 H8 UFX A 117 31.344 12.464 2.780 1.00 0.00 H +ATOM 1405 C1 UFX A 118 31.938 0.612 22.746 1.00 0.00 C +ATOM 1406 C2 UFX A 118 31.629 2.051 23.117 1.00 0.00 C +ATOM 1407 C3 UFX A 118 30.294 2.426 22.467 1.00 0.00 C +ATOM 1408 O1 UFX A 118 30.354 2.309 21.102 1.00 0.00 O +ATOM 1409 H1 UFX A 118 31.177 -0.002 23.250 1.00 0.00 H +ATOM 1410 H2 UFX A 118 31.941 0.482 21.646 1.00 0.00 H +ATOM 1411 H3 UFX A 118 32.957 0.374 23.096 1.00 0.00 H +ATOM 1412 H4 UFX A 118 31.587 2.117 24.201 1.00 0.00 H +ATOM 1413 H5 UFX A 118 32.388 2.739 22.728 1.00 0.00 H +ATOM 1414 H6 UFX A 118 29.970 3.392 22.864 1.00 0.00 H +ATOM 1415 H7 UFX A 118 29.569 1.663 22.833 1.00 0.00 H +ATOM 1416 H8 UFX A 118 30.633 3.146 20.621 1.00 0.00 H +ATOM 1417 C1 UFX A 119 26.828 17.669 30.907 1.00 0.00 C +ATOM 1418 C2 UFX A 119 25.355 18.000 31.062 1.00 0.00 C +ATOM 1419 C3 UFX A 119 24.610 16.695 31.357 1.00 0.00 C +ATOM 1420 O1 UFX A 119 24.770 15.789 30.341 1.00 0.00 O +ATOM 1421 H1 UFX A 119 27.172 17.346 31.901 1.00 0.00 H +ATOM 1422 H2 UFX A 119 26.978 16.899 30.125 1.00 0.00 H +ATOM 1423 H3 UFX A 119 27.354 18.577 30.564 1.00 0.00 H +ATOM 1424 H4 UFX A 119 25.255 18.719 31.871 1.00 0.00 H +ATOM 1425 H5 UFX A 119 24.936 18.415 30.138 1.00 0.00 H +ATOM 1426 H6 UFX A 119 23.583 16.936 31.645 1.00 0.00 H +ATOM 1427 H7 UFX A 119 25.111 16.274 32.259 1.00 0.00 H +ATOM 1428 H8 UFX A 119 24.067 15.833 29.624 1.00 0.00 H +ATOM 1429 C1 UFX A 120 26.059 4.273 4.081 1.00 0.00 C +ATOM 1430 C2 UFX A 120 25.223 3.066 3.694 1.00 0.00 C +ATOM 1431 C3 UFX A 120 23.887 3.579 3.148 1.00 0.00 C +ATOM 1432 O1 UFX A 120 23.215 4.318 4.086 1.00 0.00 O +ATOM 1433 H1 UFX A 120 26.299 4.790 3.140 1.00 0.00 H +ATOM 1434 H2 UFX A 120 25.514 4.914 4.801 1.00 0.00 H +ATOM 1435 H3 UFX A 120 26.966 3.916 4.597 1.00 0.00 H +ATOM 1436 H4 UFX A 120 25.776 2.498 2.951 1.00 0.00 H +ATOM 1437 H5 UFX A 120 25.001 2.435 4.562 1.00 0.00 H +ATOM 1438 H6 UFX A 120 23.346 2.739 2.703 1.00 0.00 H +ATOM 1439 H7 UFX A 120 24.159 4.268 2.316 1.00 0.00 H +ATOM 1440 H8 UFX A 120 22.586 3.790 4.665 1.00 0.00 H +ATOM 1441 C1 UFX A 121 23.886 14.328 15.092 1.00 0.00 C +ATOM 1442 C2 UFX A 121 23.250 14.880 16.356 1.00 0.00 C +ATOM 1443 C3 UFX A 121 23.728 14.023 17.532 1.00 0.00 C +ATOM 1444 O1 UFX A 121 23.364 12.711 17.374 1.00 0.00 O +ATOM 1445 H1 UFX A 121 24.964 14.522 15.186 1.00 0.00 H +ATOM 1446 H2 UFX A 121 23.647 13.253 14.970 1.00 0.00 H +ATOM 1447 H3 UFX A 121 23.447 14.851 14.226 1.00 0.00 H +ATOM 1448 H4 UFX A 121 23.554 15.918 16.459 1.00 0.00 H +ATOM 1449 H5 UFX A 121 22.158 14.809 16.321 1.00 0.00 H +ATOM 1450 H6 UFX A 121 23.425 14.509 18.465 1.00 0.00 H +ATOM 1451 H7 UFX A 121 24.840 14.065 17.489 1.00 0.00 H +ATOM 1452 H8 UFX A 121 22.474 12.470 17.775 1.00 0.00 H +ATOM 1453 C1 UFX A 122 17.543 11.178 21.019 1.00 0.00 C +ATOM 1454 C2 UFX A 122 18.938 10.592 20.892 1.00 0.00 C +ATOM 1455 C3 UFX A 122 18.912 9.563 19.759 1.00 0.00 C +ATOM 1456 O1 UFX A 122 18.017 8.558 20.018 1.00 0.00 O +ATOM 1457 H1 UFX A 122 17.371 11.752 20.097 1.00 0.00 H +ATOM 1458 H2 UFX A 122 16.794 10.378 21.178 1.00 0.00 H +ATOM 1459 H3 UFX A 122 17.517 11.821 21.916 1.00 0.00 H +ATOM 1460 H4 UFX A 122 19.628 11.407 20.687 1.00 0.00 H +ATOM 1461 H5 UFX A 122 19.239 10.067 21.805 1.00 0.00 H +ATOM 1462 H6 UFX A 122 19.940 9.261 19.536 1.00 0.00 H +ATOM 1463 H7 UFX A 122 18.536 10.120 18.870 1.00 0.00 H +ATOM 1464 H8 UFX A 122 18.402 7.767 20.504 1.00 0.00 H +ATOM 1465 C1 UFX A 123 25.456 0.824 10.453 1.00 0.00 C +ATOM 1466 C2 UFX A 123 25.481 2.213 11.066 1.00 0.00 C +ATOM 1467 C3 UFX A 123 24.355 2.288 12.101 1.00 0.00 C +ATOM 1468 O1 UFX A 123 23.132 2.066 11.524 1.00 0.00 O +ATOM 1469 H1 UFX A 123 25.743 0.132 11.258 1.00 0.00 H +ATOM 1470 H2 UFX A 123 24.459 0.602 10.025 1.00 0.00 H +ATOM 1471 H3 UFX A 123 26.173 0.801 9.615 1.00 0.00 H +ATOM 1472 H4 UFX A 123 26.459 2.365 11.515 1.00 0.00 H +ATOM 1473 H5 UFX A 123 25.289 2.988 10.315 1.00 0.00 H +ATOM 1474 H6 UFX A 123 24.469 3.213 12.675 1.00 0.00 H +ATOM 1475 H7 UFX A 123 24.549 1.444 12.802 1.00 0.00 H +ATOM 1476 H8 UFX A 123 22.663 2.894 11.200 1.00 0.00 H +ATOM 1477 C1 UFX A 124 25.567 17.893 22.772 1.00 0.00 C +ATOM 1478 C2 UFX A 124 24.166 17.363 23.018 1.00 0.00 C +ATOM 1479 C3 UFX A 124 24.294 15.934 23.553 1.00 0.00 C +ATOM 1480 O1 UFX A 124 24.938 15.121 22.657 1.00 0.00 O +ATOM 1481 H1 UFX A 124 26.035 17.985 23.763 1.00 0.00 H +ATOM 1482 H2 UFX A 124 26.126 17.223 22.089 1.00 0.00 H +ATOM 1483 H3 UFX A 124 25.486 18.868 22.262 1.00 0.00 H +ATOM 1484 H4 UFX A 124 23.677 18.023 23.730 1.00 0.00 H +ATOM 1485 H5 UFX A 124 23.585 17.315 22.090 1.00 0.00 H +ATOM 1486 H6 UFX A 124 23.312 15.602 23.902 1.00 0.00 H +ATOM 1487 H7 UFX A 124 24.946 16.018 24.452 1.00 0.00 H +ATOM 1488 H8 UFX A 124 24.334 14.647 22.010 1.00 0.00 H +ATOM 1489 C1 UFX A 125 16.555 6.184 21.469 1.00 0.00 C +ATOM 1490 C2 UFX A 125 17.657 5.144 21.386 1.00 0.00 C +ATOM 1491 C3 UFX A 125 17.191 4.045 20.427 1.00 0.00 C +ATOM 1492 O1 UFX A 125 16.038 3.452 20.871 1.00 0.00 O +ATOM 1493 H1 UFX A 125 16.505 6.654 20.476 1.00 0.00 H +ATOM 1494 H2 UFX A 125 15.598 5.718 21.777 1.00 0.00 H +ATOM 1495 H3 UFX A 125 16.821 6.911 22.256 1.00 0.00 H +ATOM 1496 H4 UFX A 125 18.559 5.638 21.032 1.00 0.00 H +ATOM 1497 H5 UFX A 125 17.842 4.675 22.358 1.00 0.00 H +ATOM 1498 H6 UFX A 125 18.036 3.382 20.217 1.00 0.00 H +ATOM 1499 H7 UFX A 125 16.948 4.572 19.477 1.00 0.00 H +ATOM 1500 H8 UFX A 125 16.177 2.649 21.459 1.00 0.00 H +ATOM 1501 C1 UFX A 126 11.800 7.451 23.654 1.00 0.00 C +ATOM 1502 C2 UFX A 126 12.872 8.222 22.905 1.00 0.00 C +ATOM 1503 C3 UFX A 126 13.926 7.218 22.430 1.00 0.00 C +ATOM 1504 O1 UFX A 126 14.495 6.556 23.486 1.00 0.00 O +ATOM 1505 H1 UFX A 126 11.299 6.821 22.904 1.00 0.00 H +ATOM 1506 H2 UFX A 126 12.245 6.865 24.483 1.00 0.00 H +ATOM 1507 H3 UFX A 126 11.107 8.176 24.114 1.00 0.00 H +ATOM 1508 H4 UFX A 126 12.396 8.737 22.074 1.00 0.00 H +ATOM 1509 H5 UFX A 126 13.377 8.945 23.555 1.00 0.00 H +ATOM 1510 H6 UFX A 126 14.608 7.726 21.742 1.00 0.00 H +ATOM 1511 H7 UFX A 126 13.362 6.466 21.833 1.00 0.00 H +ATOM 1512 H8 UFX A 126 15.320 6.992 23.861 1.00 0.00 H +ATOM 1513 C1 UFX A 127 2.887 6.482 29.491 1.00 0.00 C +ATOM 1514 C2 UFX A 127 3.834 7.046 30.535 1.00 0.00 C +ATOM 1515 C3 UFX A 127 3.368 8.466 30.871 1.00 0.00 C +ATOM 1516 O1 UFX A 127 3.381 9.270 29.761 1.00 0.00 O +ATOM 1517 H1 UFX A 127 1.915 6.368 29.993 1.00 0.00 H +ATOM 1518 H2 UFX A 127 2.841 7.144 28.604 1.00 0.00 H +ATOM 1519 H3 UFX A 127 3.288 5.514 29.144 1.00 0.00 H +ATOM 1520 H4 UFX A 127 3.805 6.392 31.402 1.00 0.00 H +ATOM 1521 H5 UFX A 127 4.858 7.119 30.152 1.00 0.00 H +ATOM 1522 H6 UFX A 127 3.926 8.820 31.742 1.00 0.00 H +ATOM 1523 H7 UFX A 127 2.306 8.356 31.187 1.00 0.00 H +ATOM 1524 H8 UFX A 127 4.242 9.767 29.612 1.00 0.00 H +ATOM 1525 C1 UFX A 128 11.769 9.979 17.932 1.00 0.00 C +ATOM 1526 C2 UFX A 128 12.795 11.008 18.372 1.00 0.00 C +ATOM 1527 C3 UFX A 128 12.037 12.254 18.839 1.00 0.00 C +ATOM 1528 O1 UFX A 128 11.269 12.777 17.831 1.00 0.00 O +ATOM 1529 H1 UFX A 128 11.231 9.679 18.843 1.00 0.00 H +ATOM 1530 H2 UFX A 128 11.103 10.397 17.153 1.00 0.00 H +ATOM 1531 H3 UFX A 128 12.304 9.131 17.471 1.00 0.00 H +ATOM 1532 H4 UFX A 128 13.389 10.571 19.170 1.00 0.00 H +ATOM 1533 H5 UFX A 128 13.443 11.311 17.543 1.00 0.00 H +ATOM 1534 H6 UFX A 128 12.744 12.934 19.322 1.00 0.00 H +ATOM 1535 H7 UFX A 128 11.342 11.892 19.630 1.00 0.00 H +ATOM 1536 H8 UFX A 128 11.729 13.471 17.269 1.00 0.00 H +ATOM 1537 C1 UFX A 129 6.502 5.001 26.837 1.00 0.00 C +ATOM 1538 C2 UFX A 129 6.230 6.433 26.412 1.00 0.00 C +ATOM 1539 C3 UFX A 129 7.532 7.224 26.572 1.00 0.00 C +ATOM 1540 O1 UFX A 129 7.969 7.208 27.871 1.00 0.00 O +ATOM 1541 H1 UFX A 129 7.196 4.590 26.090 1.00 0.00 H +ATOM 1542 H2 UFX A 129 6.906 4.968 27.868 1.00 0.00 H +ATOM 1543 H3 UFX A 129 5.543 4.456 26.853 1.00 0.00 H +ATOM 1544 H4 UFX A 129 5.886 6.419 25.382 1.00 0.00 H +ATOM 1545 H5 UFX A 129 5.478 6.908 27.053 1.00 0.00 H +ATOM 1546 H6 UFX A 129 7.405 8.206 26.107 1.00 0.00 H +ATOM 1547 H7 UFX A 129 8.284 6.670 25.963 1.00 0.00 H +ATOM 1548 H8 UFX A 129 7.633 7.968 28.436 1.00 0.00 H +ATOM 1549 C1 UFX A 130 29.041 22.120 6.188 1.00 0.00 C +ATOM 1550 C2 UFX A 130 28.161 21.516 7.268 1.00 0.00 C +ATOM 1551 C3 UFX A 130 27.318 22.644 7.869 1.00 0.00 C +ATOM 1552 O1 UFX A 130 28.109 23.620 8.418 1.00 0.00 O +ATOM 1553 H1 UFX A 130 28.360 22.445 5.388 1.00 0.00 H +ATOM 1554 H2 UFX A 130 29.653 22.947 6.598 1.00 0.00 H +ATOM 1555 H3 UFX A 130 29.746 21.345 5.841 1.00 0.00 H +ATOM 1556 H4 UFX A 130 27.545 20.748 6.808 1.00 0.00 H +ATOM 1557 H5 UFX A 130 28.757 21.085 8.079 1.00 0.00 H +ATOM 1558 H6 UFX A 130 26.557 22.204 8.520 1.00 0.00 H +ATOM 1559 H7 UFX A 130 26.783 23.099 7.004 1.00 0.00 H +ATOM 1560 H8 UFX A 130 28.325 23.488 9.391 1.00 0.00 H +ATOM 1561 C1 UFX A 131 9.842 19.423 25.614 1.00 0.00 C +ATOM 1562 C2 UFX A 131 9.440 20.886 25.661 1.00 0.00 C +ATOM 1563 C3 UFX A 131 8.017 20.999 25.105 1.00 0.00 C +ATOM 1564 O1 UFX A 131 7.951 20.548 23.812 1.00 0.00 O +ATOM 1565 H1 UFX A 131 9.195 18.908 26.339 1.00 0.00 H +ATOM 1566 H2 UFX A 131 9.746 19.022 24.586 1.00 0.00 H +ATOM 1567 H3 UFX A 131 10.908 19.347 25.887 1.00 0.00 H +ATOM 1568 H4 UFX A 131 9.501 21.219 26.694 1.00 0.00 H +ATOM 1569 H5 UFX A 131 10.089 21.503 25.029 1.00 0.00 H +ATOM 1570 H6 UFX A 131 7.647 22.011 25.293 1.00 0.00 H +ATOM 1571 H7 UFX A 131 7.407 20.307 25.728 1.00 0.00 H +ATOM 1572 H8 UFX A 131 8.101 21.254 23.112 1.00 0.00 H +ATOM 1573 C1 UFX A 132 15.930 6.249 17.541 1.00 0.00 C +ATOM 1574 C2 UFX A 132 14.767 7.201 17.758 1.00 0.00 C +ATOM 1575 C3 UFX A 132 15.320 8.628 17.742 1.00 0.00 C +ATOM 1576 O1 UFX A 132 16.251 8.813 18.731 1.00 0.00 O +ATOM 1577 H1 UFX A 132 16.277 6.425 16.513 1.00 0.00 H +ATOM 1578 H2 UFX A 132 16.720 6.416 18.300 1.00 0.00 H +ATOM 1579 H3 UFX A 132 15.566 5.217 17.683 1.00 0.00 H +ATOM 1580 H4 UFX A 132 14.044 7.035 16.964 1.00 0.00 H +ATOM 1581 H5 UFX A 132 14.295 7.043 18.734 1.00 0.00 H +ATOM 1582 H6 UFX A 132 14.481 9.329 17.719 1.00 0.00 H +ATOM 1583 H7 UFX A 132 15.850 8.723 16.767 1.00 0.00 H +ATOM 1584 H8 UFX A 132 15.878 9.146 19.603 1.00 0.00 H +ATOM 1585 C1 UFX A 133 6.893 13.744 31.066 1.00 0.00 C +ATOM 1586 C2 UFX A 133 8.078 13.191 30.293 1.00 0.00 C +ATOM 1587 C3 UFX A 133 9.277 13.145 31.245 1.00 0.00 C +ATOM 1588 O1 UFX A 133 9.585 14.393 31.720 1.00 0.00 O +ATOM 1589 H1 UFX A 133 6.645 12.987 31.824 1.00 0.00 H +ATOM 1590 H2 UFX A 133 7.137 14.732 31.504 1.00 0.00 H +ATOM 1591 H3 UFX A 133 6.062 13.907 30.359 1.00 0.00 H +ATOM 1592 H4 UFX A 133 7.809 12.203 29.928 1.00 0.00 H +ATOM 1593 H5 UFX A 133 8.350 13.841 29.454 1.00 0.00 H +ATOM 1594 H6 UFX A 133 10.085 12.588 30.762 1.00 0.00 H +ATOM 1595 H7 UFX A 133 8.935 12.535 32.113 1.00 0.00 H +ATOM 1596 H8 UFX A 133 10.254 14.900 31.167 1.00 0.00 H +ATOM 1597 C1 UFX A 134 5.635 4.585 17.973 1.00 0.00 C +ATOM 1598 C2 UFX A 134 7.122 4.769 17.731 1.00 0.00 C +ATOM 1599 C3 UFX A 134 7.464 4.103 16.395 1.00 0.00 C +ATOM 1600 O1 UFX A 134 7.168 2.765 16.415 1.00 0.00 O +ATOM 1601 H1 UFX A 134 5.125 5.181 17.202 1.00 0.00 H +ATOM 1602 H2 UFX A 134 5.362 3.512 17.942 1.00 0.00 H +ATOM 1603 H3 UFX A 134 5.401 4.943 18.991 1.00 0.00 H +ATOM 1604 H4 UFX A 134 7.331 5.836 17.720 1.00 0.00 H +ATOM 1605 H5 UFX A 134 7.720 4.277 18.506 1.00 0.00 H +ATOM 1606 H6 UFX A 134 8.487 4.376 16.120 1.00 0.00 H +ATOM 1607 H7 UFX A 134 6.788 4.581 15.651 1.00 0.00 H +ATOM 1608 H8 UFX A 134 7.921 2.171 16.714 1.00 0.00 H +ATOM 1609 C1 UFX A 135 16.354 11.809 16.777 1.00 0.00 C +ATOM 1610 C2 UFX A 135 16.060 11.861 15.288 1.00 0.00 C +ATOM 1611 C3 UFX A 135 14.549 11.692 15.104 1.00 0.00 C +ATOM 1612 O1 UFX A 135 14.115 10.496 15.613 1.00 0.00 O +ATOM 1613 H1 UFX A 135 15.897 12.712 17.208 1.00 0.00 H +ATOM 1614 H2 UFX A 135 15.965 10.872 17.222 1.00 0.00 H +ATOM 1615 H3 UFX A 135 17.449 11.796 16.915 1.00 0.00 H +ATOM 1616 H4 UFX A 135 16.412 12.816 14.909 1.00 0.00 H +ATOM 1617 H5 UFX A 135 16.549 11.040 14.753 1.00 0.00 H +ATOM 1618 H6 UFX A 135 14.298 11.902 14.060 1.00 0.00 H +ATOM 1619 H7 UFX A 135 14.090 12.500 15.718 1.00 0.00 H +ATOM 1620 H8 UFX A 135 14.112 9.735 14.956 1.00 0.00 H +ATOM 1621 C1 UFX A 136 7.524 10.244 15.278 1.00 0.00 C +ATOM 1622 C2 UFX A 136 8.546 9.150 15.530 1.00 0.00 C +ATOM 1623 C3 UFX A 136 8.149 7.936 14.685 1.00 0.00 C +ATOM 1624 O1 UFX A 136 6.901 7.481 15.021 1.00 0.00 O +ATOM 1625 H1 UFX A 136 7.660 10.551 14.230 1.00 0.00 H +ATOM 1626 H2 UFX A 136 6.500 9.882 15.494 1.00 0.00 H +ATOM 1627 H3 UFX A 136 7.722 11.073 15.979 1.00 0.00 H +ATOM 1628 H4 UFX A 136 9.525 9.535 15.256 1.00 0.00 H +ATOM 1629 H5 UFX A 136 8.546 8.834 16.578 1.00 0.00 H +ATOM 1630 H6 UFX A 136 8.964 7.207 14.716 1.00 0.00 H +ATOM 1631 H7 UFX A 136 8.092 8.317 13.639 1.00 0.00 H +ATOM 1632 H8 UFX A 136 6.889 6.777 15.738 1.00 0.00 H +ATOM 1633 C1 UFX A 137 9.395 5.148 1.603 1.00 0.00 C +ATOM 1634 C2 UFX A 137 9.958 6.480 2.065 1.00 0.00 C +ATOM 1635 C3 UFX A 137 8.784 7.355 2.512 1.00 0.00 C +ATOM 1636 O1 UFX A 137 7.899 7.565 1.487 1.00 0.00 O +ATOM 1637 H1 UFX A 137 8.985 4.664 2.501 1.00 0.00 H +ATOM 1638 H2 UFX A 137 8.637 5.297 0.808 1.00 0.00 H +ATOM 1639 H3 UFX A 137 10.214 4.561 1.155 1.00 0.00 H +ATOM 1640 H4 UFX A 137 10.655 6.287 2.876 1.00 0.00 H +ATOM 1641 H5 UFX A 137 10.467 7.006 1.249 1.00 0.00 H +ATOM 1642 H6 UFX A 137 9.180 8.245 3.010 1.00 0.00 H +ATOM 1643 H7 UFX A 137 8.255 6.756 3.288 1.00 0.00 H +ATOM 1644 H8 UFX A 137 8.083 8.385 0.934 1.00 0.00 H +ATOM 1645 C1 UFX A 138 0.932 7.791 15.889 1.00 0.00 C +ATOM 1646 C2 UFX A 138 0.887 7.668 14.376 1.00 0.00 C +ATOM 1647 C3 UFX A 138 2.094 8.421 13.809 1.00 0.00 C +ATOM 1648 O1 UFX A 138 2.064 9.745 14.160 1.00 0.00 O +ATOM 1649 H1 UFX A 138 1.818 7.225 16.213 1.00 0.00 H +ATOM 1650 H2 UFX A 138 0.962 8.855 16.195 1.00 0.00 H +ATOM 1651 H3 UFX A 138 -0.000 7.368 16.300 1.00 0.00 H +ATOM 1652 H4 UFX A 138 0.911 6.611 14.124 1.00 0.00 H +ATOM 1653 H5 UFX A 138 -0.014 8.132 13.961 1.00 0.00 H +ATOM 1654 H6 UFX A 138 2.177 8.196 12.742 1.00 0.00 H +ATOM 1655 H7 UFX A 138 2.980 7.966 14.308 1.00 0.00 H +ATOM 1656 H8 UFX A 138 1.594 10.344 13.504 1.00 0.00 H +ATOM 1657 C1 UFX A 139 17.248 18.213 1.461 1.00 0.00 C +ATOM 1658 C2 UFX A 139 16.613 18.086 2.834 1.00 0.00 C +ATOM 1659 C3 UFX A 139 17.348 16.974 3.588 1.00 0.00 C +ATOM 1660 O1 UFX A 139 17.253 15.776 2.929 1.00 0.00 O +ATOM 1661 H1 UFX A 139 18.267 18.590 1.632 1.00 0.00 H +ATOM 1662 H2 UFX A 139 17.229 17.242 0.928 1.00 0.00 H +ATOM 1663 H3 UFX A 139 16.643 18.916 0.862 1.00 0.00 H +ATOM 1664 H4 UFX A 139 16.701 19.046 3.336 1.00 0.00 H +ATOM 1665 H5 UFX A 139 15.559 17.793 2.765 1.00 0.00 H +ATOM 1666 H6 UFX A 139 17.025 16.987 4.633 1.00 0.00 H +ATOM 1667 H7 UFX A 139 18.420 17.275 3.575 1.00 0.00 H +ATOM 1668 H8 UFX A 139 16.467 15.210 3.197 1.00 0.00 H +ATOM 1669 C1 UFX A 140 23.754 0.906 17.050 1.00 0.00 C +ATOM 1670 C2 UFX A 140 22.337 1.403 16.824 1.00 0.00 C +ATOM 1671 C3 UFX A 140 22.067 2.523 17.833 1.00 0.00 C +ATOM 1672 O1 UFX A 140 22.194 2.074 19.122 1.00 0.00 O +ATOM 1673 H1 UFX A 140 24.416 1.736 16.760 1.00 0.00 H +ATOM 1674 H2 UFX A 140 23.895 0.586 18.101 1.00 0.00 H +ATOM 1675 H3 UFX A 140 23.913 0.014 16.422 1.00 0.00 H +ATOM 1676 H4 UFX A 140 22.262 1.752 15.798 1.00 0.00 H +ATOM 1677 H5 UFX A 140 21.600 0.613 17.007 1.00 0.00 H +ATOM 1678 H6 UFX A 140 21.123 3.010 17.572 1.00 0.00 H +ATOM 1679 H7 UFX A 140 22.877 3.269 17.661 1.00 0.00 H +ATOM 1680 H8 UFX A 140 21.345 1.727 19.532 1.00 0.00 H +ATOM 1681 C1 UFX A 141 7.100 24.746 17.658 1.00 0.00 C +ATOM 1682 C2 UFX A 141 6.772 24.362 19.090 1.00 0.00 C +ATOM 1683 C3 UFX A 141 6.169 25.590 19.778 1.00 0.00 C +ATOM 1684 O1 UFX A 141 7.047 26.642 19.778 1.00 0.00 O +ATOM 1685 H1 UFX A 141 6.134 24.924 17.163 1.00 0.00 H +ATOM 1686 H2 UFX A 141 7.768 25.629 17.632 1.00 0.00 H +ATOM 1687 H3 UFX A 141 7.654 23.914 17.193 1.00 0.00 H +ATOM 1688 H4 UFX A 141 6.076 23.527 19.063 1.00 0.00 H +ATOM 1689 H5 UFX A 141 7.672 24.082 19.648 1.00 0.00 H +ATOM 1690 H6 UFX A 141 5.766 25.285 20.748 1.00 0.00 H +ATOM 1691 H7 UFX A 141 5.302 25.882 19.143 1.00 0.00 H +ATOM 1692 H8 UFX A 141 7.645 26.691 20.584 1.00 0.00 H +ATOM 1693 C1 UFX A 142 27.132 7.800 0.641 1.00 0.00 C +ATOM 1694 C2 UFX A 142 25.942 7.653 1.572 1.00 0.00 C +ATOM 1695 C3 UFX A 142 24.675 7.631 0.712 1.00 0.00 C +ATOM 1696 O1 UFX A 142 24.546 8.786 -0.015 1.00 0.00 O +ATOM 1697 H1 UFX A 142 27.180 6.868 0.060 1.00 0.00 H +ATOM 1698 H2 UFX A 142 27.024 8.701 0.006 1.00 0.00 H +ATOM 1699 H3 UFX A 142 28.036 7.951 1.255 1.00 0.00 H +ATOM 1700 H4 UFX A 142 26.067 6.732 2.135 1.00 0.00 H +ATOM 1701 H5 UFX A 142 25.858 8.504 2.257 1.00 0.00 H +ATOM 1702 H6 UFX A 142 23.828 7.350 1.343 1.00 0.00 H +ATOM 1703 H7 UFX A 142 24.831 6.800 -0.013 1.00 0.00 H +ATOM 1704 H8 UFX A 142 24.023 9.513 0.441 1.00 0.00 H +ATOM 1705 C1 UFX A 143 30.024 21.558 26.972 1.00 0.00 C +ATOM 1706 C2 UFX A 143 29.971 20.135 26.445 1.00 0.00 C +ATOM 1707 C3 UFX A 143 28.505 19.799 26.152 1.00 0.00 C +ATOM 1708 O1 UFX A 143 27.736 19.896 27.283 1.00 0.00 O +ATOM 1709 H1 UFX A 143 29.730 22.204 26.132 1.00 0.00 H +ATOM 1710 H2 UFX A 143 29.367 21.673 27.857 1.00 0.00 H +ATOM 1711 H3 UFX A 143 31.053 21.764 27.311 1.00 0.00 H +ATOM 1712 H4 UFX A 143 30.587 20.084 25.551 1.00 0.00 H +ATOM 1713 H5 UFX A 143 30.329 19.416 27.190 1.00 0.00 H +ATOM 1714 H6 UFX A 143 28.466 18.850 25.609 1.00 0.00 H +ATOM 1715 H7 UFX A 143 28.161 20.591 25.449 1.00 0.00 H +ATOM 1716 H8 UFX A 143 27.653 19.043 27.809 1.00 0.00 H +ATOM 1717 C1 UFX A 144 8.625 12.477 5.615 1.00 0.00 C +ATOM 1718 C2 UFX A 144 7.992 13.818 5.287 1.00 0.00 C +ATOM 1719 C3 UFX A 144 9.086 14.726 4.719 1.00 0.00 C +ATOM 1720 O1 UFX A 144 10.101 14.909 5.622 1.00 0.00 O +ATOM 1721 H1 UFX A 144 8.912 12.034 4.650 1.00 0.00 H +ATOM 1722 H2 UFX A 144 9.483 12.607 6.304 1.00 0.00 H +ATOM 1723 H3 UFX A 144 7.880 11.862 6.147 1.00 0.00 H +ATOM 1724 H4 UFX A 144 7.193 13.646 4.571 1.00 0.00 H +ATOM 1725 H5 UFX A 144 7.595 14.305 6.184 1.00 0.00 H +ATOM 1726 H6 UFX A 144 8.618 15.628 4.315 1.00 0.00 H +ATOM 1727 H7 UFX A 144 9.510 14.164 3.855 1.00 0.00 H +ATOM 1728 H8 UFX A 144 9.988 15.704 6.226 1.00 0.00 H +ATOM 1729 C1 UFX A 145 32.041 30.543 7.939 1.00 0.00 C +ATOM 1730 C2 UFX A 145 31.096 29.365 7.780 1.00 0.00 C +ATOM 1731 C3 UFX A 145 31.865 28.094 8.153 1.00 0.00 C +ATOM 1732 O1 UFX A 145 32.956 27.916 7.342 1.00 0.00 O +ATOM 1733 H1 UFX A 145 32.248 30.622 9.016 1.00 0.00 H +ATOM 1734 H2 UFX A 145 32.956 30.396 7.331 1.00 0.00 H +ATOM 1735 H3 UFX A 145 31.541 31.445 7.547 1.00 0.00 H +ATOM 1736 H4 UFX A 145 30.242 29.530 8.432 1.00 0.00 H +ATOM 1737 H5 UFX A 145 30.762 29.254 6.743 1.00 0.00 H +ATOM 1738 H6 UFX A 145 31.157 27.263 8.216 1.00 0.00 H +ATOM 1739 H7 UFX A 145 32.245 28.277 9.184 1.00 0.00 H +ATOM 1740 H8 UFX A 145 32.781 27.369 6.517 1.00 0.00 H +ATOM 1741 C1 UFX A 146 27.417 30.851 17.793 1.00 0.00 C +ATOM 1742 C2 UFX A 146 28.777 30.407 17.284 1.00 0.00 C +ATOM 1743 C3 UFX A 146 29.463 29.621 18.406 1.00 0.00 C +ATOM 1744 O1 UFX A 146 29.625 30.392 19.527 1.00 0.00 O +ATOM 1745 H1 UFX A 146 26.826 29.933 17.920 1.00 0.00 H +ATOM 1746 H2 UFX A 146 27.520 31.433 18.730 1.00 0.00 H +ATOM 1747 H3 UFX A 146 26.971 31.529 17.045 1.00 0.00 H +ATOM 1748 H4 UFX A 146 28.622 29.800 16.397 1.00 0.00 H +ATOM 1749 H5 UFX A 146 29.417 31.264 17.046 1.00 0.00 H +ATOM 1750 H6 UFX A 146 30.361 29.146 18.001 1.00 0.00 H +ATOM 1751 H7 UFX A 146 28.750 28.805 18.665 1.00 0.00 H +ATOM 1752 H8 UFX A 146 30.495 30.892 19.572 1.00 0.00 H +ATOM 1753 C1 UFX A 147 26.800 21.492 22.715 1.00 0.00 C +ATOM 1754 C2 UFX A 147 26.056 21.487 21.392 1.00 0.00 C +ATOM 1755 C3 UFX A 147 26.875 20.659 20.398 1.00 0.00 C +ATOM 1756 O1 UFX A 147 28.126 21.190 20.217 1.00 0.00 O +ATOM 1757 H1 UFX A 147 26.764 20.457 23.087 1.00 0.00 H +ATOM 1758 H2 UFX A 147 27.833 21.870 22.584 1.00 0.00 H +ATOM 1759 H3 UFX A 147 26.289 22.192 23.398 1.00 0.00 H +ATOM 1760 H4 UFX A 147 25.070 21.062 21.561 1.00 0.00 H +ATOM 1761 H5 UFX A 147 25.964 22.498 20.978 1.00 0.00 H +ATOM 1762 H6 UFX A 147 26.274 20.497 19.498 1.00 0.00 H +ATOM 1763 H7 UFX A 147 27.005 19.666 20.886 1.00 0.00 H +ATOM 1764 H8 UFX A 147 28.196 21.854 19.466 1.00 0.00 H +ATOM 1765 C1 UFX A 148 30.069 25.647 21.972 1.00 0.00 C +ATOM 1766 C2 UFX A 148 31.264 26.229 21.238 1.00 0.00 C +ATOM 1767 C3 UFX A 148 32.001 27.158 22.207 1.00 0.00 C +ATOM 1768 O1 UFX A 148 31.190 28.175 22.637 1.00 0.00 O +ATOM 1769 H1 UFX A 148 30.483 24.995 22.755 1.00 0.00 H +ATOM 1770 H2 UFX A 148 29.425 26.452 22.375 1.00 0.00 H +ATOM 1771 H3 UFX A 148 29.457 25.083 21.247 1.00 0.00 H +ATOM 1772 H4 UFX A 148 31.890 25.405 20.907 1.00 0.00 H +ATOM 1773 H5 UFX A 148 30.952 26.833 20.378 1.00 0.00 H +ATOM 1774 H6 UFX A 148 32.956 27.447 21.757 1.00 0.00 H +ATOM 1775 H7 UFX A 148 32.237 26.525 23.092 1.00 0.00 H +ATOM 1776 H8 UFX A 148 31.224 29.007 22.075 1.00 0.00 H +ATOM 1777 C1 UFX A 149 5.802 27.026 32.233 1.00 0.00 C +ATOM 1778 C2 UFX A 149 7.301 26.927 32.017 1.00 0.00 C +ATOM 1779 C3 UFX A 149 7.602 25.534 31.455 1.00 0.00 C +ATOM 1780 O1 UFX A 149 7.200 24.550 32.321 1.00 0.00 O +ATOM 1781 H1 UFX A 149 5.348 27.002 31.232 1.00 0.00 H +ATOM 1782 H2 UFX A 149 5.445 26.207 32.890 1.00 0.00 H +ATOM 1783 H3 UFX A 149 5.588 27.971 32.760 1.00 0.00 H +ATOM 1784 H4 UFX A 149 7.594 27.715 31.329 1.00 0.00 H +ATOM 1785 H5 UFX A 149 7.851 27.026 32.959 1.00 0.00 H +ATOM 1786 H6 UFX A 149 8.645 25.506 31.129 1.00 0.00 H +ATOM 1787 H7 UFX A 149 6.972 25.448 30.540 1.00 0.00 H +ATOM 1788 H8 UFX A 149 7.902 24.255 32.976 1.00 0.00 H +ATOM 1789 C1 UFX A 150 17.282 16.889 16.358 1.00 0.00 C +ATOM 1790 C2 UFX A 150 18.359 16.811 15.290 1.00 0.00 C +ATOM 1791 C3 UFX A 150 19.228 18.067 15.409 1.00 0.00 C +ATOM 1792 O1 UFX A 150 18.487 19.205 15.227 1.00 0.00 O +ATOM 1793 H1 UFX A 150 17.805 16.803 17.322 1.00 0.00 H +ATOM 1794 H2 UFX A 150 16.703 17.828 16.262 1.00 0.00 H +ATOM 1795 H3 UFX A 150 16.573 16.060 16.197 1.00 0.00 H +ATOM 1796 H4 UFX A 150 18.932 15.902 15.456 1.00 0.00 H +ATOM 1797 H5 UFX A 150 17.928 16.805 14.283 1.00 0.00 H +ATOM 1798 H6 UFX A 150 20.108 17.945 14.771 1.00 0.00 H +ATOM 1799 H7 UFX A 150 19.588 18.071 16.463 1.00 0.00 H +ATOM 1800 H8 UFX A 150 18.441 19.529 14.277 1.00 0.00 H +ATOM 1801 C1 UFX A 151 1.253 8.325 9.653 1.00 0.00 C +ATOM 1802 C2 UFX A 151 2.080 7.267 8.946 1.00 0.00 C +ATOM 1803 C3 UFX A 151 1.125 6.174 8.458 1.00 0.00 C +ATOM 1804 O1 UFX A 151 0.447 5.601 9.502 1.00 0.00 O +ATOM 1805 H1 UFX A 151 0.633 8.795 8.876 1.00 0.00 H +ATOM 1806 H2 UFX A 151 0.655 7.875 10.470 1.00 0.00 H +ATOM 1807 H3 UFX A 151 1.941 9.047 10.124 1.00 0.00 H +ATOM 1808 H4 UFX A 151 2.606 7.745 8.124 1.00 0.00 H +ATOM 1809 H5 UFX A 151 2.797 6.795 9.627 1.00 0.00 H +ATOM 1810 H6 UFX A 151 1.675 5.498 7.797 1.00 0.00 H +ATOM 1811 H7 UFX A 151 0.375 6.706 7.828 1.00 0.00 H +ATOM 1812 H8 UFX A 151 0.896 4.796 9.903 1.00 0.00 H +ATOM 1813 C1 UFX A 152 14.962 19.114 11.275 1.00 0.00 C +ATOM 1814 C2 UFX A 152 14.231 17.790 11.412 1.00 0.00 C +ATOM 1815 C3 UFX A 152 15.007 16.742 10.609 1.00 0.00 C +ATOM 1816 O1 UFX A 152 15.084 17.085 9.285 1.00 0.00 O +ATOM 1817 H1 UFX A 152 15.921 18.986 11.797 1.00 0.00 H +ATOM 1818 H2 UFX A 152 15.082 19.387 10.208 1.00 0.00 H +ATOM 1819 H3 UFX A 152 14.343 19.901 11.737 1.00 0.00 H +ATOM 1820 H4 UFX A 152 14.184 17.540 12.469 1.00 0.00 H +ATOM 1821 H5 UFX A 152 13.221 17.842 10.993 1.00 0.00 H +ATOM 1822 H6 UFX A 152 14.600 15.753 10.839 1.00 0.00 H +ATOM 1823 H7 UFX A 152 16.043 16.770 11.019 1.00 0.00 H +ATOM 1824 H8 UFX A 152 14.338 16.727 8.714 1.00 0.00 H +ATOM 1825 C1 UFX A 153 19.480 0.858 9.930 1.00 0.00 C +ATOM 1826 C2 UFX A 153 18.851 0.978 8.553 1.00 0.00 C +ATOM 1827 C3 UFX A 153 19.930 1.478 7.588 1.00 0.00 C +ATOM 1828 O1 UFX A 153 20.417 2.699 7.975 1.00 0.00 O +ATOM 1829 H1 UFX A 153 20.218 0.045 9.857 1.00 0.00 H +ATOM 1830 H2 UFX A 153 19.928 1.822 10.243 1.00 0.00 H +ATOM 1831 H3 UFX A 153 18.683 0.627 10.657 1.00 0.00 H +ATOM 1832 H4 UFX A 153 18.474 -0.001 8.270 1.00 0.00 H +ATOM 1833 H5 UFX A 153 18.038 1.711 8.545 1.00 0.00 H +ATOM 1834 H6 UFX A 153 19.548 1.402 6.566 1.00 0.00 H +ATOM 1835 H7 UFX A 153 20.764 0.745 7.680 1.00 0.00 H +ATOM 1836 H8 UFX A 153 19.935 3.488 7.582 1.00 0.00 H +ATOM 1837 C1 UFX A 154 20.302 1.390 22.841 1.00 0.00 C +ATOM 1838 C2 UFX A 154 18.913 1.891 23.195 1.00 0.00 C +ATOM 1839 C3 UFX A 154 17.985 0.676 23.282 1.00 0.00 C +ATOM 1840 O1 UFX A 154 17.936 -0.001 22.091 1.00 0.00 O +ATOM 1841 H1 UFX A 154 20.646 0.811 23.711 1.00 0.00 H +ATOM 1842 H2 UFX A 154 20.278 0.795 21.907 1.00 0.00 H +ATOM 1843 H3 UFX A 154 20.947 2.263 22.645 1.00 0.00 H +ATOM 1844 H4 UFX A 154 18.978 2.422 24.140 1.00 0.00 H +ATOM 1845 H5 UFX A 154 18.514 2.553 22.418 1.00 0.00 H +ATOM 1846 H6 UFX A 154 17.029 0.995 23.706 1.00 0.00 H +ATOM 1847 H7 UFX A 154 18.462 -0.000 24.028 1.00 0.00 H +ATOM 1848 H8 UFX A 154 17.209 0.300 21.466 1.00 0.00 H +ATOM 1849 C1 UFX A 155 22.435 31.257 27.514 1.00 0.00 C +ATOM 1850 C2 UFX A 155 23.489 32.126 26.852 1.00 0.00 C +ATOM 1851 C3 UFX A 155 24.725 31.256 26.606 1.00 0.00 C +ATOM 1852 O1 UFX A 155 25.221 30.751 27.779 1.00 0.00 O +ATOM 1853 H1 UFX A 155 22.134 30.517 26.759 1.00 0.00 H +ATOM 1854 H2 UFX A 155 22.831 30.796 28.440 1.00 0.00 H +ATOM 1855 H3 UFX A 155 21.592 31.903 27.816 1.00 0.00 H +ATOM 1856 H4 UFX A 155 23.072 32.514 25.926 1.00 0.00 H +ATOM 1857 H5 UFX A 155 23.795 32.954 27.502 1.00 0.00 H +ATOM 1858 H6 UFX A 155 25.424 31.812 25.974 1.00 0.00 H +ATOM 1859 H7 UFX A 155 24.357 30.394 26.003 1.00 0.00 H +ATOM 1860 H8 UFX A 155 25.918 31.324 28.222 1.00 0.00 H +ATOM 1861 C1 UFX A 156 26.275 9.357 28.451 1.00 0.00 C +ATOM 1862 C2 UFX A 156 24.801 9.236 28.107 1.00 0.00 C +ATOM 1863 C3 UFX A 156 24.286 7.925 28.708 1.00 0.00 C +ATOM 1864 O1 UFX A 156 24.961 6.846 28.203 1.00 0.00 O +ATOM 1865 H1 UFX A 156 26.322 9.488 29.542 1.00 0.00 H +ATOM 1866 H2 UFX A 156 26.834 8.468 28.097 1.00 0.00 H +ATOM 1867 H3 UFX A 156 26.687 10.227 27.913 1.00 0.00 H +ATOM 1868 H4 UFX A 156 24.288 10.102 28.518 1.00 0.00 H +ATOM 1869 H5 UFX A 156 24.643 9.185 27.024 1.00 0.00 H +ATOM 1870 H6 UFX A 156 23.195 7.907 28.625 1.00 0.00 H +ATOM 1871 H7 UFX A 156 24.528 7.989 29.794 1.00 0.00 H +ATOM 1872 H8 UFX A 156 24.549 6.438 27.382 1.00 0.00 H +ATOM 1873 C1 UFX A 157 12.944 24.925 26.451 1.00 0.00 C +ATOM 1874 C2 UFX A 157 13.793 23.700 26.744 1.00 0.00 C +ATOM 1875 C3 UFX A 157 13.595 23.336 28.218 1.00 0.00 C +ATOM 1876 O1 UFX A 157 13.976 24.363 29.041 1.00 0.00 O +ATOM 1877 H1 UFX A 157 11.898 24.597 26.540 1.00 0.00 H +ATOM 1878 H2 UFX A 157 13.199 25.753 27.140 1.00 0.00 H +ATOM 1879 H3 UFX A 157 13.180 25.276 25.432 1.00 0.00 H +ATOM 1880 H4 UFX A 157 13.472 22.902 26.080 1.00 0.00 H +ATOM 1881 H5 UFX A 157 14.859 23.905 26.597 1.00 0.00 H +ATOM 1882 H6 UFX A 157 14.054 22.360 28.402 1.00 0.00 H +ATOM 1883 H7 UFX A 157 12.495 23.205 28.339 1.00 0.00 H +ATOM 1884 H8 UFX A 157 14.936 24.332 29.335 1.00 0.00 H +ATOM 1885 C1 UFX A 158 8.654 29.076 13.902 1.00 0.00 C +ATOM 1886 C2 UFX A 158 8.299 30.550 13.817 1.00 0.00 C +ATOM 1887 C3 UFX A 158 9.209 31.308 14.787 1.00 0.00 C +ATOM 1888 O1 UFX A 158 9.039 30.871 16.075 1.00 0.00 O +ATOM 1889 H1 UFX A 158 9.671 28.985 13.492 1.00 0.00 H +ATOM 1890 H2 UFX A 158 8.574 28.713 14.946 1.00 0.00 H +ATOM 1891 H3 UFX A 158 7.919 28.506 13.310 1.00 0.00 H +ATOM 1892 H4 UFX A 158 8.442 30.871 12.789 1.00 0.00 H +ATOM 1893 H5 UFX A 158 7.264 30.733 14.127 1.00 0.00 H +ATOM 1894 H6 UFX A 158 9.092 32.381 14.611 1.00 0.00 H +ATOM 1895 H7 UFX A 158 10.246 31.039 14.481 1.00 0.00 H +ATOM 1896 H8 UFX A 158 8.343 31.371 16.600 1.00 0.00 H +ATOM 1897 C1 UFX A 159 16.050 2.265 26.106 1.00 0.00 C +ATOM 1898 C2 UFX A 159 14.863 3.048 25.573 1.00 0.00 C +ATOM 1899 C3 UFX A 159 15.074 3.252 24.070 1.00 0.00 C +ATOM 1900 O1 UFX A 159 16.228 3.946 23.818 1.00 0.00 O +ATOM 1901 H1 UFX A 159 15.981 1.265 25.655 1.00 0.00 H +ATOM 1902 H2 UFX A 159 17.000 2.783 25.868 1.00 0.00 H +ATOM 1903 H3 UFX A 159 15.976 2.228 27.206 1.00 0.00 H +ATOM 1904 H4 UFX A 159 13.962 2.477 25.785 1.00 0.00 H +ATOM 1905 H5 UFX A 159 14.796 4.040 26.033 1.00 0.00 H +ATOM 1906 H6 UFX A 159 14.152 3.655 23.639 1.00 0.00 H +ATOM 1907 H7 UFX A 159 15.206 2.227 23.655 1.00 0.00 H +ATOM 1908 H8 UFX A 159 16.116 4.944 23.769 1.00 0.00 H +ATOM 1909 C1 UFX A 160 16.379 0.597 14.942 1.00 0.00 C +ATOM 1910 C2 UFX A 160 17.200 1.611 14.164 1.00 0.00 C +ATOM 1911 C3 UFX A 160 18.261 0.843 13.370 1.00 0.00 C +ATOM 1912 O1 UFX A 160 19.085 0.129 14.201 1.00 0.00 O +ATOM 1913 H1 UFX A 160 15.827 0.013 14.191 1.00 0.00 H +ATOM 1914 H2 UFX A 160 17.032 -0.027 15.583 1.00 0.00 H +ATOM 1915 H3 UFX A 160 15.700 1.145 15.618 1.00 0.00 H +ATOM 1916 H4 UFX A 160 16.525 2.162 13.514 1.00 0.00 H +ATOM 1917 H5 UFX A 160 17.726 2.301 14.832 1.00 0.00 H +ATOM 1918 H6 UFX A 160 18.743 1.533 12.672 1.00 0.00 H +ATOM 1919 H7 UFX A 160 17.689 0.107 12.759 1.00 0.00 H +ATOM 1920 H8 UFX A 160 19.907 0.622 14.502 1.00 0.00 H +ATOM 1921 C1 UFX A 161 26.112 11.674 30.977 1.00 0.00 C +ATOM 1922 C2 UFX A 161 25.136 12.206 32.011 1.00 0.00 C +ATOM 1923 C3 UFX A 161 23.965 11.222 32.098 1.00 0.00 C +ATOM 1924 O1 UFX A 161 23.328 11.097 30.891 1.00 0.00 O +ATOM 1925 H1 UFX A 161 26.529 10.749 31.401 1.00 0.00 H +ATOM 1926 H2 UFX A 161 25.606 11.515 30.004 1.00 0.00 H +ATOM 1927 H3 UFX A 161 26.891 12.438 30.809 1.00 0.00 H +ATOM 1928 H4 UFX A 161 25.664 12.296 32.957 1.00 0.00 H +ATOM 1929 H5 UFX A 161 24.726 13.178 31.715 1.00 0.00 H +ATOM 1930 H6 UFX A 161 23.344 11.493 32.957 1.00 0.00 H +ATOM 1931 H7 UFX A 161 24.431 10.237 32.331 1.00 0.00 H +ATOM 1932 H8 UFX A 161 22.565 11.735 30.750 1.00 0.00 H +ATOM 1933 C1 UFX A 162 20.261 21.467 24.629 1.00 0.00 C +ATOM 1934 C2 UFX A 162 20.448 22.277 23.358 1.00 0.00 C +ATOM 1935 C3 UFX A 162 21.231 21.413 22.364 1.00 0.00 C +ATOM 1936 O1 UFX A 162 22.456 21.061 22.866 1.00 0.00 O +ATOM 1937 H1 UFX A 162 19.591 20.636 24.362 1.00 0.00 H +ATOM 1938 H2 UFX A 162 21.238 21.127 25.025 1.00 0.00 H +ATOM 1939 H3 UFX A 162 19.817 22.124 25.397 1.00 0.00 H +ATOM 1940 H4 UFX A 162 19.465 22.543 22.981 1.00 0.00 H +ATOM 1941 H5 UFX A 162 21.038 23.182 23.541 1.00 0.00 H +ATOM 1942 H6 UFX A 162 21.222 21.908 21.388 1.00 0.00 H +ATOM 1943 H7 UFX A 162 20.634 20.478 22.261 1.00 0.00 H +ATOM 1944 H8 UFX A 162 23.201 21.698 22.643 1.00 0.00 H +ATOM 1945 C1 UFX A 163 16.972 7.143 29.548 1.00 0.00 C +ATOM 1946 C2 UFX A 163 18.179 6.291 29.896 1.00 0.00 C +ATOM 1947 C3 UFX A 163 18.618 5.561 28.623 1.00 0.00 C +ATOM 1948 O1 UFX A 163 17.618 4.759 28.139 1.00 0.00 O +ATOM 1949 H1 UFX A 163 17.338 7.924 28.865 1.00 0.00 H +ATOM 1950 H2 UFX A 163 16.168 6.523 29.106 1.00 0.00 H +ATOM 1951 H3 UFX A 163 16.567 7.569 30.482 1.00 0.00 H +ATOM 1952 H4 UFX A 163 18.956 6.949 30.277 1.00 0.00 H +ATOM 1953 H5 UFX A 163 17.932 5.529 30.643 1.00 0.00 H +ATOM 1954 H6 UFX A 163 19.585 5.084 28.809 1.00 0.00 H +ATOM 1955 H7 UFX A 163 18.791 6.365 27.872 1.00 0.00 H +ATOM 1956 H8 UFX A 163 17.630 3.815 28.485 1.00 0.00 H +ATOM 1957 C1 UFX A 164 9.725 27.510 24.633 1.00 0.00 C +ATOM 1958 C2 UFX A 164 10.361 26.290 23.991 1.00 0.00 C +ATOM 1959 C3 UFX A 164 9.253 25.496 23.294 1.00 0.00 C +ATOM 1960 O1 UFX A 164 8.292 25.094 24.185 1.00 0.00 O +ATOM 1961 H1 UFX A 164 9.379 28.143 23.803 1.00 0.00 H +ATOM 1962 H2 UFX A 164 8.908 27.211 25.319 1.00 0.00 H +ATOM 1963 H3 UFX A 164 10.487 28.016 25.248 1.00 0.00 H +ATOM 1964 H4 UFX A 164 11.117 26.635 23.291 1.00 0.00 H +ATOM 1965 H5 UFX A 164 10.815 25.631 24.740 1.00 0.00 H +ATOM 1966 H6 UFX A 164 9.713 24.716 22.681 1.00 0.00 H +ATOM 1967 H7 UFX A 164 8.774 26.219 22.595 1.00 0.00 H +ATOM 1968 H8 UFX A 164 8.451 24.190 24.595 1.00 0.00 H +ATOM 1969 C1 UFX A 165 10.479 24.733 19.241 1.00 0.00 C +ATOM 1970 C2 UFX A 165 11.995 24.823 19.278 1.00 0.00 C +ATOM 1971 C3 UFX A 165 12.476 25.189 17.871 1.00 0.00 C +ATOM 1972 O1 UFX A 165 12.096 24.245 16.953 1.00 0.00 O +ATOM 1973 H1 UFX A 165 10.119 25.756 19.059 1.00 0.00 H +ATOM 1974 H2 UFX A 165 10.147 24.013 18.468 1.00 0.00 H +ATOM 1975 H3 UFX A 165 10.131 24.341 20.212 1.00 0.00 H +ATOM 1976 H4 UFX A 165 12.269 25.576 20.012 1.00 0.00 H +ATOM 1977 H5 UFX A 165 12.448 23.860 19.539 1.00 0.00 H +ATOM 1978 H6 UFX A 165 13.542 25.430 17.918 1.00 0.00 H +ATOM 1979 H7 UFX A 165 11.939 26.132 17.618 1.00 0.00 H +ATOM 1980 H8 UFX A 165 12.763 23.507 16.808 1.00 0.00 H +ATOM 1981 C1 UFX A 166 25.907 4.184 28.217 1.00 0.00 C +ATOM 1982 C2 UFX A 166 25.657 2.709 28.474 1.00 0.00 C +ATOM 1983 C3 UFX A 166 26.168 2.386 29.882 1.00 0.00 C +ATOM 1984 O1 UFX A 166 27.508 2.648 29.997 1.00 0.00 O +ATOM 1985 H1 UFX A 166 25.247 4.729 28.908 1.00 0.00 H +ATOM 1986 H2 UFX A 166 26.978 4.430 28.356 1.00 0.00 H +ATOM 1987 H3 UFX A 166 25.666 4.398 27.162 1.00 0.00 H +ATOM 1988 H4 UFX A 166 24.590 2.527 28.377 1.00 0.00 H +ATOM 1989 H5 UFX A 166 26.211 2.078 27.771 1.00 0.00 H +ATOM 1990 H6 UFX A 166 25.838 1.379 30.151 1.00 0.00 H +ATOM 1991 H7 UFX A 166 25.632 3.095 30.554 1.00 0.00 H +ATOM 1992 H8 UFX A 166 28.108 1.872 29.782 1.00 0.00 H +ATOM 1993 C1 UFX A 167 10.161 4.998 20.288 1.00 0.00 C +ATOM 1994 C2 UFX A 167 10.762 5.174 18.905 1.00 0.00 C +ATOM 1995 C3 UFX A 167 12.191 5.698 19.078 1.00 0.00 C +ATOM 1996 O1 UFX A 167 12.205 6.899 19.738 1.00 0.00 O +ATOM 1997 H1 UFX A 167 10.725 4.181 20.762 1.00 0.00 H +ATOM 1998 H2 UFX A 167 10.209 5.946 20.860 1.00 0.00 H +ATOM 1999 H3 UFX A 167 9.093 4.750 20.173 1.00 0.00 H +ATOM 2000 H4 UFX A 167 10.740 4.210 18.404 1.00 0.00 H +ATOM 2001 H5 UFX A 167 10.210 5.916 18.317 1.00 0.00 H +ATOM 2002 H6 UFX A 167 12.697 5.662 18.109 1.00 0.00 H +ATOM 2003 H7 UFX A 167 12.695 4.953 19.736 1.00 0.00 H +ATOM 2004 H8 UFX A 167 12.159 7.707 19.141 1.00 0.00 H +ATOM 2005 C1 UFX A 168 13.509 2.070 19.867 1.00 0.00 C +ATOM 2006 C2 UFX A 168 13.132 0.994 18.865 1.00 0.00 C +ATOM 2007 C3 UFX A 168 11.739 1.327 18.322 1.00 0.00 C +ATOM 2008 O1 UFX A 168 10.808 1.361 19.327 1.00 0.00 O +ATOM 2009 H1 UFX A 168 13.627 2.997 19.287 1.00 0.00 H +ATOM 2010 H2 UFX A 168 12.742 2.152 20.663 1.00 0.00 H +ATOM 2011 H3 UFX A 168 14.449 1.771 20.362 1.00 0.00 H +ATOM 2012 H4 UFX A 168 13.884 0.988 18.080 1.00 0.00 H +ATOM 2013 H5 UFX A 168 13.073 0.007 19.337 1.00 0.00 H +ATOM 2014 H6 UFX A 168 11.527 0.668 17.475 1.00 0.00 H +ATOM 2015 H7 UFX A 168 11.826 2.361 17.916 1.00 0.00 H +ATOM 2016 H8 UFX A 168 10.348 0.485 19.503 1.00 0.00 H +ATOM 2017 C1 UFX A 169 22.512 31.469 5.770 1.00 0.00 C +ATOM 2018 C2 UFX A 169 21.059 31.883 5.628 1.00 0.00 C +ATOM 2019 C3 UFX A 169 20.249 31.117 6.679 1.00 0.00 C +ATOM 2020 O1 UFX A 169 20.357 29.763 6.501 1.00 0.00 O +ATOM 2021 H1 UFX A 169 22.844 31.855 6.745 1.00 0.00 H +ATOM 2022 H2 UFX A 169 22.617 30.369 5.681 1.00 0.00 H +ATOM 2023 H3 UFX A 169 23.083 31.911 4.935 1.00 0.00 H +ATOM 2024 H4 UFX A 169 21.000 32.959 5.773 1.00 0.00 H +ATOM 2025 H5 UFX A 169 20.657 31.614 4.645 1.00 0.00 H +ATOM 2026 H6 UFX A 169 19.237 31.531 6.710 1.00 0.00 H +ATOM 2027 H7 UFX A 169 20.732 31.363 7.652 1.00 0.00 H +ATOM 2028 H8 UFX A 169 19.654 29.359 5.907 1.00 0.00 H +ATOM 2029 C1 UFX A 170 3.942 10.013 15.907 1.00 0.00 C +ATOM 2030 C2 UFX A 170 3.389 11.424 16.011 1.00 0.00 C +ATOM 2031 C3 UFX A 170 4.575 12.393 15.997 1.00 0.00 C +ATOM 2032 O1 UFX A 170 5.424 12.157 17.047 1.00 0.00 O +ATOM 2033 H1 UFX A 170 4.382 9.934 14.902 1.00 0.00 H +ATOM 2034 H2 UFX A 170 4.672 9.817 16.716 1.00 0.00 H +ATOM 2035 H3 UFX A 170 3.110 9.303 16.049 1.00 0.00 H +ATOM 2036 H4 UFX A 170 2.720 11.586 15.170 1.00 0.00 H +ATOM 2037 H5 UFX A 170 2.852 11.577 16.954 1.00 0.00 H +ATOM 2038 H6 UFX A 170 4.192 13.412 15.894 1.00 0.00 H +ATOM 2039 H7 UFX A 170 5.131 12.157 15.061 1.00 0.00 H +ATOM 2040 H8 UFX A 170 5.220 12.681 17.879 1.00 0.00 H +ATOM 2041 C1 UFX A 171 5.386 22.465 15.218 1.00 0.00 C +ATOM 2042 C2 UFX A 171 4.241 23.220 14.567 1.00 0.00 C +ATOM 2043 C3 UFX A 171 3.572 22.279 13.561 1.00 0.00 C +ATOM 2044 O1 UFX A 171 4.455 21.871 12.596 1.00 0.00 O +ATOM 2045 H1 UFX A 171 4.923 21.667 15.816 1.00 0.00 H +ATOM 2046 H2 UFX A 171 6.088 22.080 14.452 1.00 0.00 H +ATOM 2047 H3 UFX A 171 5.956 23.172 15.844 1.00 0.00 H +ATOM 2048 H4 UFX A 171 3.556 23.532 15.351 1.00 0.00 H +ATOM 2049 H5 UFX A 171 4.598 24.094 14.011 1.00 0.00 H +ATOM 2050 H6 UFX A 171 2.643 22.741 13.214 1.00 0.00 H +ATOM 2051 H7 UFX A 171 3.287 21.378 14.152 1.00 0.00 H +ATOM 2052 H8 UFX A 171 4.484 22.455 11.779 1.00 0.00 H +ATOM 2053 C1 UFX A 172 16.954 21.852 25.797 1.00 0.00 C +ATOM 2054 C2 UFX A 172 16.911 21.831 27.315 1.00 0.00 C +ATOM 2055 C3 UFX A 172 16.550 20.408 27.753 1.00 0.00 C +ATOM 2056 O1 UFX A 172 15.331 20.028 27.256 1.00 0.00 O +ATOM 2057 H1 UFX A 172 17.810 21.224 25.509 1.00 0.00 H +ATOM 2058 H2 UFX A 172 15.994 21.498 25.372 1.00 0.00 H +ATOM 2059 H3 UFX A 172 17.081 22.897 25.468 1.00 0.00 H +ATOM 2060 H4 UFX A 172 17.887 22.136 27.683 1.00 0.00 H +ATOM 2061 H5 UFX A 172 16.136 22.500 27.705 1.00 0.00 H +ATOM 2062 H6 UFX A 172 16.688 20.330 28.835 1.00 0.00 H +ATOM 2063 H7 UFX A 172 17.319 19.756 27.279 1.00 0.00 H +ATOM 2064 H8 UFX A 172 14.551 20.231 27.856 1.00 0.00 H +ATOM 2065 C1 UFX A 173 10.252 9.437 29.830 1.00 0.00 C +ATOM 2066 C2 UFX A 173 10.396 8.437 30.963 1.00 0.00 C +ATOM 2067 C3 UFX A 173 10.220 7.034 30.375 1.00 0.00 C +ATOM 2068 O1 UFX A 173 8.988 6.889 29.793 1.00 0.00 O +ATOM 2069 H1 UFX A 173 11.118 9.277 29.172 1.00 0.00 H +ATOM 2070 H2 UFX A 173 9.282 9.303 29.310 1.00 0.00 H +ATOM 2071 H3 UFX A 173 10.244 10.452 30.262 1.00 0.00 H +ATOM 2072 H4 UFX A 173 11.379 8.572 31.408 1.00 0.00 H +ATOM 2073 H5 UFX A 173 9.619 8.574 31.723 1.00 0.00 H +ATOM 2074 H6 UFX A 173 10.495 6.298 31.136 1.00 0.00 H +ATOM 2075 H7 UFX A 173 10.980 6.962 29.564 1.00 0.00 H +ATOM 2076 H8 UFX A 173 8.272 6.540 30.406 1.00 0.00 H +ATOM 2077 C1 UFX A 174 4.660 26.989 27.817 1.00 0.00 C +ATOM 2078 C2 UFX A 174 3.765 25.887 27.278 1.00 0.00 C +ATOM 2079 C3 UFX A 174 3.136 26.391 25.976 1.00 0.00 C +ATOM 2080 O1 UFX A 174 2.391 27.522 26.187 1.00 0.00 O +ATOM 2081 H1 UFX A 174 5.489 27.084 27.101 1.00 0.00 H +ATOM 2082 H2 UFX A 174 4.090 27.930 27.947 1.00 0.00 H +ATOM 2083 H3 UFX A 174 5.013 26.691 28.819 1.00 0.00 H +ATOM 2084 H4 UFX A 174 4.378 25.004 27.119 1.00 0.00 H +ATOM 2085 H5 UFX A 174 2.948 25.658 27.970 1.00 0.00 H +ATOM 2086 H6 UFX A 174 2.632 25.554 25.484 1.00 0.00 H +ATOM 2087 H7 UFX A 174 3.997 26.678 25.330 1.00 0.00 H +ATOM 2088 H8 UFX A 174 1.422 27.354 26.395 1.00 0.00 H +ATOM 2089 C1 UFX A 175 8.562 28.893 7.129 1.00 0.00 C +ATOM 2090 C2 UFX A 175 9.440 30.112 6.910 1.00 0.00 C +ATOM 2091 C3 UFX A 175 10.894 29.689 7.138 1.00 0.00 C +ATOM 2092 O1 UFX A 175 11.082 29.215 8.410 1.00 0.00 O +ATOM 2093 H1 UFX A 175 8.803 28.195 6.314 1.00 0.00 H +ATOM 2094 H2 UFX A 175 8.735 28.460 8.134 1.00 0.00 H +ATOM 2095 H3 UFX A 175 7.507 29.214 7.099 1.00 0.00 H +ATOM 2096 H4 UFX A 175 9.273 30.468 5.897 1.00 0.00 H +ATOM 2097 H5 UFX A 175 9.213 30.906 7.629 1.00 0.00 H +ATOM 2098 H6 UFX A 175 11.550 30.502 6.814 1.00 0.00 H +ATOM 2099 H7 UFX A 175 11.061 28.838 6.439 1.00 0.00 H +ATOM 2100 H8 UFX A 175 11.353 29.911 9.082 1.00 0.00 H +ATOM 2101 C1 UFX A 176 11.253 6.620 15.494 1.00 0.00 C +ATOM 2102 C2 UFX A 176 11.697 7.828 14.689 1.00 0.00 C +ATOM 2103 C3 UFX A 176 12.844 7.386 13.775 1.00 0.00 C +ATOM 2104 O1 UFX A 176 13.903 6.907 14.501 1.00 0.00 O +ATOM 2105 H1 UFX A 176 10.808 5.921 14.771 1.00 0.00 H +ATOM 2106 H2 UFX A 176 12.107 6.183 16.050 1.00 0.00 H +ATOM 2107 H3 UFX A 176 10.521 6.955 16.248 1.00 0.00 H +ATOM 2108 H4 UFX A 176 10.842 8.188 14.124 1.00 0.00 H +ATOM 2109 H5 UFX A 176 12.082 8.624 15.336 1.00 0.00 H +ATOM 2110 H6 UFX A 176 13.057 8.191 13.066 1.00 0.00 H +ATOM 2111 H7 UFX A 176 12.434 6.534 13.187 1.00 0.00 H +ATOM 2112 H8 UFX A 176 14.590 7.598 14.750 1.00 0.00 H +ATOM 2113 C1 UFX A 177 8.053 16.742 29.702 1.00 0.00 C +ATOM 2114 C2 UFX A 177 9.229 17.054 28.793 1.00 0.00 C +ATOM 2115 C3 UFX A 177 9.889 18.337 29.307 1.00 0.00 C +ATOM 2116 O1 UFX A 177 9.011 19.389 29.294 1.00 0.00 O +ATOM 2117 H1 UFX A 177 8.485 16.486 30.680 1.00 0.00 H +ATOM 2118 H2 UFX A 177 7.354 17.600 29.748 1.00 0.00 H +ATOM 2119 H3 UFX A 177 7.491 15.898 29.266 1.00 0.00 H +ATOM 2120 H4 UFX A 177 9.909 16.207 28.821 1.00 0.00 H +ATOM 2121 H5 UFX A 177 8.904 17.242 27.764 1.00 0.00 H +ATOM 2122 H6 UFX A 177 10.836 18.479 28.778 1.00 0.00 H +ATOM 2123 H7 UFX A 177 10.140 18.128 30.372 1.00 0.00 H +ATOM 2124 H8 UFX A 177 9.011 19.927 28.445 1.00 0.00 H +ATOM 2125 C1 UFX A 178 27.660 28.332 11.856 1.00 0.00 C +ATOM 2126 C2 UFX A 178 28.556 29.513 11.530 1.00 0.00 C +ATOM 2127 C3 UFX A 178 29.886 28.961 11.008 1.00 0.00 C +ATOM 2128 O1 UFX A 178 30.498 28.168 11.943 1.00 0.00 O +ATOM 2129 H1 UFX A 178 27.428 27.852 10.894 1.00 0.00 H +ATOM 2130 H2 UFX A 178 28.156 27.648 12.573 1.00 0.00 H +ATOM 2131 H3 UFX A 178 26.753 28.712 12.357 1.00 0.00 H +ATOM 2132 H4 UFX A 178 28.049 30.125 10.789 1.00 0.00 H +ATOM 2133 H5 UFX A 178 28.777 30.109 12.422 1.00 0.00 H +ATOM 2134 H6 UFX A 178 30.474 29.790 10.604 1.00 0.00 H +ATOM 2135 H7 UFX A 178 29.611 28.308 10.148 1.00 0.00 H +ATOM 2136 H8 UFX A 178 31.131 28.652 12.555 1.00 0.00 H +ATOM 2137 C1 UFX A 179 29.470 16.335 14.574 1.00 0.00 C +ATOM 2138 C2 UFX A 179 30.593 16.903 13.726 1.00 0.00 C +ATOM 2139 C3 UFX A 179 31.467 15.734 13.261 1.00 0.00 C +ATOM 2140 O1 UFX A 179 31.998 15.055 14.327 1.00 0.00 O +ATOM 2141 H1 UFX A 179 28.842 15.745 13.890 1.00 0.00 H +ATOM 2142 H2 UFX A 179 29.875 15.737 15.413 1.00 0.00 H +ATOM 2143 H3 UFX A 179 28.913 17.175 15.022 1.00 0.00 H +ATOM 2144 H4 UFX A 179 30.148 17.436 12.890 1.00 0.00 H +ATOM 2145 H5 UFX A 179 31.232 17.580 14.305 1.00 0.00 H +ATOM 2146 H6 UFX A 179 32.172 16.101 12.510 1.00 0.00 H +ATOM 2147 H7 UFX A 179 30.768 15.040 12.741 1.00 0.00 H +ATOM 2148 H8 UFX A 179 32.896 15.387 14.632 1.00 0.00 H +ATOM 2149 C1 UFX A 180 8.367 4.078 32.259 1.00 0.00 C +ATOM 2150 C2 UFX A 180 7.405 3.089 31.627 1.00 0.00 C +ATOM 2151 C3 UFX A 180 6.290 3.890 30.948 1.00 0.00 C +ATOM 2152 O1 UFX A 180 5.615 4.670 31.851 1.00 0.00 O +ATOM 2153 H1 UFX A 180 8.847 4.611 31.424 1.00 0.00 H +ATOM 2154 H2 UFX A 180 7.834 4.755 32.955 1.00 0.00 H +ATOM 2155 H3 UFX A 180 9.099 3.514 32.862 1.00 0.00 H +ATOM 2156 H4 UFX A 180 7.962 2.484 30.917 1.00 0.00 H +ATOM 2157 H5 UFX A 180 6.935 2.447 32.380 1.00 0.00 H +ATOM 2158 H6 UFX A 180 5.688 3.207 30.341 1.00 0.00 H +ATOM 2159 H7 UFX A 180 6.813 4.576 30.244 1.00 0.00 H +ATOM 2160 H8 UFX A 180 4.815 4.230 32.271 1.00 0.00 H +ATOM 2161 C1 UFX A 181 22.292 8.535 3.180 1.00 0.00 C +ATOM 2162 C2 UFX A 181 22.805 9.693 4.017 1.00 0.00 C +ATOM 2163 C3 UFX A 181 21.986 10.935 3.650 1.00 0.00 C +ATOM 2164 O1 UFX A 181 22.115 11.240 2.320 1.00 0.00 O +ATOM 2165 H1 UFX A 181 21.270 8.335 3.533 1.00 0.00 H +ATOM 2166 H2 UFX A 181 22.338 8.780 2.101 1.00 0.00 H +ATOM 2167 H3 UFX A 181 22.959 7.670 3.338 1.00 0.00 H +ATOM 2168 H4 UFX A 181 22.692 9.427 5.065 1.00 0.00 H +ATOM 2169 H5 UFX A 181 23.855 9.916 3.797 1.00 0.00 H +ATOM 2170 H6 UFX A 181 22.219 11.731 4.363 1.00 0.00 H +ATOM 2171 H7 UFX A 181 20.925 10.643 3.821 1.00 0.00 H +ATOM 2172 H8 UFX A 181 22.863 11.875 2.105 1.00 0.00 H +ATOM 2173 C1 UFX A 182 29.564 16.919 17.853 1.00 0.00 C +ATOM 2174 C2 UFX A 182 30.970 16.378 18.041 1.00 0.00 C +ATOM 2175 C3 UFX A 182 30.906 15.263 19.089 1.00 0.00 C +ATOM 2176 O1 UFX A 182 30.433 15.732 20.287 1.00 0.00 O +ATOM 2177 H1 UFX A 182 28.985 16.106 17.390 1.00 0.00 H +ATOM 2178 H2 UFX A 182 29.141 17.257 18.819 1.00 0.00 H +ATOM 2179 H3 UFX A 182 29.618 17.808 17.202 1.00 0.00 H +ATOM 2180 H4 UFX A 182 31.321 16.013 17.079 1.00 0.00 H +ATOM 2181 H5 UFX A 182 31.650 17.147 18.422 1.00 0.00 H +ATOM 2182 H6 UFX A 182 31.869 14.745 19.108 1.00 0.00 H +ATOM 2183 H7 UFX A 182 30.155 14.539 18.697 1.00 0.00 H +ATOM 2184 H8 UFX A 182 31.142 16.058 20.920 1.00 0.00 H +ATOM 2185 C1 UFX A 183 3.839 23.110 19.207 1.00 0.00 C +ATOM 2186 C2 UFX A 183 2.354 22.797 19.245 1.00 0.00 C +ATOM 2187 C3 UFX A 183 1.616 23.937 18.537 1.00 0.00 C +ATOM 2188 O1 UFX A 183 1.845 25.139 19.156 1.00 0.00 O +ATOM 2189 H1 UFX A 183 4.135 23.048 18.149 1.00 0.00 H +ATOM 2190 H2 UFX A 183 4.042 24.102 19.656 1.00 0.00 H +ATOM 2191 H3 UFX A 183 4.367 22.366 19.827 1.00 0.00 H +ATOM 2192 H4 UFX A 183 2.199 21.842 18.750 1.00 0.00 H +ATOM 2193 H5 UFX A 183 1.978 22.752 20.273 1.00 0.00 H +ATOM 2194 H6 UFX A 183 0.571 23.646 18.399 1.00 0.00 H +ATOM 2195 H7 UFX A 183 2.075 23.994 17.524 1.00 0.00 H +ATOM 2196 H8 UFX A 183 1.181 25.376 19.872 1.00 0.00 H +ATOM 2197 C1 UFX A 184 19.501 17.863 9.083 1.00 0.00 C +ATOM 2198 C2 UFX A 184 20.991 18.152 9.121 1.00 0.00 C +ATOM 2199 C3 UFX A 184 21.221 19.296 10.113 1.00 0.00 C +ATOM 2200 O1 UFX A 184 20.546 20.427 9.734 1.00 0.00 O +ATOM 2201 H1 UFX A 184 19.246 17.457 10.073 1.00 0.00 H +ATOM 2202 H2 UFX A 184 18.930 18.778 8.830 1.00 0.00 H +ATOM 2203 H3 UFX A 184 19.309 17.135 8.277 1.00 0.00 H +ATOM 2204 H4 UFX A 184 21.503 17.242 9.422 1.00 0.00 H +ATOM 2205 H5 UFX A 184 21.361 18.485 8.145 1.00 0.00 H +ATOM 2206 H6 UFX A 184 22.296 19.398 10.285 1.00 0.00 H +ATOM 2207 H7 UFX A 184 20.770 18.945 11.069 1.00 0.00 H +ATOM 2208 H8 UFX A 184 21.070 21.053 9.148 1.00 0.00 H +ATOM 2209 C1 UFX A 185 8.496 15.113 24.016 1.00 0.00 C +ATOM 2210 C2 UFX A 185 9.199 15.423 25.326 1.00 0.00 C +ATOM 2211 C3 UFX A 185 8.431 14.717 26.447 1.00 0.00 C +ATOM 2212 O1 UFX A 185 7.132 15.151 26.512 1.00 0.00 O +ATOM 2213 H1 UFX A 185 8.637 14.036 23.844 1.00 0.00 H +ATOM 2214 H2 UFX A 185 7.429 15.408 24.064 1.00 0.00 H +ATOM 2215 H3 UFX A 185 8.959 15.721 23.221 1.00 0.00 H +ATOM 2216 H4 UFX A 185 10.223 15.070 25.249 1.00 0.00 H +ATOM 2217 H5 UFX A 185 9.186 16.496 25.545 1.00 0.00 H +ATOM 2218 H6 UFX A 185 9.018 14.781 27.368 1.00 0.00 H +ATOM 2219 H7 UFX A 185 8.406 13.643 26.151 1.00 0.00 H +ATOM 2220 H8 UFX A 185 6.980 15.931 27.126 1.00 0.00 H +ATOM 2221 C1 UFX A 186 26.983 29.126 23.836 1.00 0.00 C +ATOM 2222 C2 UFX A 186 27.958 29.317 22.687 1.00 0.00 C +ATOM 2223 C3 UFX A 186 27.984 30.808 22.339 1.00 0.00 C +ATOM 2224 O1 UFX A 186 26.744 31.255 21.965 1.00 0.00 O +ATOM 2225 H1 UFX A 186 27.435 29.628 24.703 1.00 0.00 H +ATOM 2226 H2 UFX A 186 25.984 29.528 23.574 1.00 0.00 H +ATOM 2227 H3 UFX A 186 26.855 28.043 24.006 1.00 0.00 H +ATOM 2228 H4 UFX A 186 28.931 28.956 23.008 1.00 0.00 H +ATOM 2229 H5 UFX A 186 27.634 28.777 21.790 1.00 0.00 H +ATOM 2230 H6 UFX A 186 28.805 30.990 21.640 1.00 0.00 H +ATOM 2231 H7 UFX A 186 28.248 31.323 23.291 1.00 0.00 H +ATOM 2232 H8 UFX A 186 26.557 31.199 20.979 1.00 0.00 H +ATOM 2233 C1 UFX A 187 12.972 15.898 14.907 1.00 0.00 C +ATOM 2234 C2 UFX A 187 13.640 15.050 13.839 1.00 0.00 C +ATOM 2235 C3 UFX A 187 15.143 15.029 14.130 1.00 0.00 C +ATOM 2236 O1 UFX A 187 15.673 16.292 14.107 1.00 0.00 O +ATOM 2237 H1 UFX A 187 13.087 15.343 15.850 1.00 0.00 H +ATOM 2238 H2 UFX A 187 13.421 16.910 14.942 1.00 0.00 H +ATOM 2239 H3 UFX A 187 11.912 16.030 14.633 1.00 0.00 H +ATOM 2240 H4 UFX A 187 13.203 14.055 13.877 1.00 0.00 H +ATOM 2241 H5 UFX A 187 13.506 15.481 12.840 1.00 0.00 H +ATOM 2242 H6 UFX A 187 15.615 14.285 13.481 1.00 0.00 H +ATOM 2243 H7 UFX A 187 15.231 14.652 15.175 1.00 0.00 H +ATOM 2244 H8 UFX A 187 16.020 16.587 13.211 1.00 0.00 H +ATOM 2245 C1 UFX A 188 1.606 19.980 12.341 1.00 0.00 C +ATOM 2246 C2 UFX A 188 0.632 19.842 11.184 1.00 0.00 C +ATOM 2247 C3 UFX A 188 1.451 19.712 9.896 1.00 0.00 C +ATOM 2248 O1 UFX A 188 2.243 20.812 9.696 1.00 0.00 O +ATOM 2249 H1 UFX A 188 2.129 19.015 12.414 1.00 0.00 H +ATOM 2250 H2 UFX A 188 2.293 20.834 12.175 1.00 0.00 H +ATOM 2251 H3 UFX A 188 1.031 20.208 13.254 1.00 0.00 H +ATOM 2252 H4 UFX A 188 0.017 18.965 11.366 1.00 0.00 H +ATOM 2253 H5 UFX A 188 -0.000 20.730 11.082 1.00 0.00 H +ATOM 2254 H6 UFX A 188 0.777 19.435 9.080 1.00 0.00 H +ATOM 2255 H7 UFX A 188 2.127 18.843 10.069 1.00 0.00 H +ATOM 2256 H8 UFX A 188 1.818 21.544 9.154 1.00 0.00 H +ATOM 2257 C1 UFX A 189 16.584 11.696 29.890 1.00 0.00 C +ATOM 2258 C2 UFX A 189 17.362 12.931 30.306 1.00 0.00 C +ATOM 2259 C3 UFX A 189 16.516 13.695 31.329 1.00 0.00 C +ATOM 2260 O1 UFX A 189 15.311 14.074 30.795 1.00 0.00 O +ATOM 2261 H1 UFX A 189 16.537 11.053 30.781 1.00 0.00 H +ATOM 2262 H2 UFX A 189 15.584 11.975 29.503 1.00 0.00 H +ATOM 2263 H3 UFX A 189 17.122 11.210 29.059 1.00 0.00 H +ATOM 2264 H4 UFX A 189 18.311 12.606 30.725 1.00 0.00 H +ATOM 2265 H5 UFX A 189 17.537 13.602 29.458 1.00 0.00 H +ATOM 2266 H6 UFX A 189 17.129 14.487 31.770 1.00 0.00 H +ATOM 2267 H7 UFX A 189 16.304 12.959 32.137 1.00 0.00 H +ATOM 2268 H8 UFX A 189 15.309 14.981 30.364 1.00 0.00 H +ATOM 2269 C1 UFX A 190 18.829 11.073 14.505 1.00 0.00 C +ATOM 2270 C2 UFX A 190 20.339 11.051 14.351 1.00 0.00 C +ATOM 2271 C3 UFX A 190 20.931 11.979 15.416 1.00 0.00 C +ATOM 2272 O1 UFX A 190 20.476 13.263 15.269 1.00 0.00 O +ATOM 2273 H1 UFX A 190 18.616 10.593 15.471 1.00 0.00 H +ATOM 2274 H2 UFX A 190 18.442 12.109 14.441 1.00 0.00 H +ATOM 2275 H3 UFX A 190 18.386 10.516 13.662 1.00 0.00 H +ATOM 2276 H4 UFX A 190 20.675 10.025 14.472 1.00 0.00 H +ATOM 2277 H5 UFX A 190 20.650 11.435 13.373 1.00 0.00 H +ATOM 2278 H6 UFX A 190 22.016 11.840 15.437 1.00 0.00 H +ATOM 2279 H7 UFX A 190 20.536 11.596 16.385 1.00 0.00 H +ATOM 2280 H8 UFX A 190 21.046 13.846 14.682 1.00 0.00 H +ATOM 2281 C1 UFX A 191 6.696 24.758 8.684 1.00 0.00 C +ATOM 2282 C2 UFX A 191 7.905 25.606 8.334 1.00 0.00 C +ATOM 2283 C3 UFX A 191 9.156 24.849 8.789 1.00 0.00 C +ATOM 2284 O1 UFX A 191 9.135 24.619 10.140 1.00 0.00 O +ATOM 2285 H1 UFX A 191 6.756 23.865 8.043 1.00 0.00 H +ATOM 2286 H2 UFX A 191 6.686 24.515 9.765 1.00 0.00 H +ATOM 2287 H3 UFX A 191 5.786 25.349 8.483 1.00 0.00 H +ATOM 2288 H4 UFX A 191 7.898 25.774 7.260 1.00 0.00 H +ATOM 2289 H5 UFX A 191 7.891 26.565 8.864 1.00 0.00 H +ATOM 2290 H6 UFX A 191 10.038 25.358 8.389 1.00 0.00 H +ATOM 2291 H7 UFX A 191 9.095 23.858 8.283 1.00 0.00 H +ATOM 2292 H8 UFX A 191 9.570 25.335 10.695 1.00 0.00 H +ATOM 2293 C1 UFX A 192 26.564 14.659 20.320 1.00 0.00 C +ATOM 2294 C2 UFX A 192 27.806 14.081 19.664 1.00 0.00 C +ATOM 2295 C3 UFX A 192 27.577 12.579 19.471 1.00 0.00 C +ATOM 2296 O1 UFX A 192 27.359 11.950 20.669 1.00 0.00 O +ATOM 2297 H1 UFX A 192 25.759 14.571 19.576 1.00 0.00 H +ATOM 2298 H2 UFX A 192 26.338 14.130 21.267 1.00 0.00 H +ATOM 2299 H3 UFX A 192 26.769 15.710 20.585 1.00 0.00 H +ATOM 2300 H4 UFX A 192 27.956 14.595 18.719 1.00 0.00 H +ATOM 2301 H5 UFX A 192 28.689 14.198 20.301 1.00 0.00 H +ATOM 2302 H6 UFX A 192 28.380 12.180 18.844 1.00 0.00 H +ATOM 2303 H7 UFX A 192 26.635 12.503 18.881 1.00 0.00 H +ATOM 2304 H8 UFX A 192 28.187 11.597 21.115 1.00 0.00 H +ATOM 2305 C1 UFX A 193 26.386 22.525 28.051 1.00 0.00 C +ATOM 2306 C2 UFX A 193 26.894 23.751 28.788 1.00 0.00 C +ATOM 2307 C3 UFX A 193 27.589 24.657 27.767 1.00 0.00 C +ATOM 2308 O1 UFX A 193 28.642 24.016 27.167 1.00 0.00 O +ATOM 2309 H1 UFX A 193 25.593 22.883 27.378 1.00 0.00 H +ATOM 2310 H2 UFX A 193 27.213 22.019 27.514 1.00 0.00 H +ATOM 2311 H3 UFX A 193 26.003 21.806 28.795 1.00 0.00 H +ATOM 2312 H4 UFX A 193 26.043 24.241 29.254 1.00 0.00 H +ATOM 2313 H5 UFX A 193 27.637 23.485 29.548 1.00 0.00 H +ATOM 2314 H6 UFX A 193 27.804 25.619 28.241 1.00 0.00 H +ATOM 2315 H7 UFX A 193 26.824 24.846 26.979 1.00 0.00 H +ATOM 2316 H8 UFX A 193 29.526 24.138 27.629 1.00 0.00 H +ATOM 2317 C1 UFX A 194 1.060 15.889 29.171 1.00 0.00 C +ATOM 2318 C2 UFX A 194 2.153 16.874 28.798 1.00 0.00 C +ATOM 2319 C3 UFX A 194 3.348 16.071 28.276 1.00 0.00 C +ATOM 2320 O1 UFX A 194 3.820 15.204 29.226 1.00 0.00 O +ATOM 2321 H1 UFX A 194 0.726 15.435 28.226 1.00 0.00 H +ATOM 2322 H2 UFX A 194 1.434 15.144 29.901 1.00 0.00 H +ATOM 2323 H3 UFX A 194 0.248 16.443 29.671 1.00 0.00 H +ATOM 2324 H4 UFX A 194 1.755 17.549 28.045 1.00 0.00 H +ATOM 2325 H5 UFX A 194 2.496 17.443 29.669 1.00 0.00 H +ATOM 2326 H6 UFX A 194 4.072 16.766 27.840 1.00 0.00 H +ATOM 2327 H7 UFX A 194 2.941 15.457 27.440 1.00 0.00 H +ATOM 2328 H8 UFX A 194 4.542 15.579 29.816 1.00 0.00 H +ATOM 2329 C1 UFX A 195 5.307 9.617 24.657 1.00 0.00 C +ATOM 2330 C2 UFX A 195 5.707 10.880 23.915 1.00 0.00 C +ATOM 2331 C3 UFX A 195 6.956 11.447 24.595 1.00 0.00 C +ATOM 2332 O1 UFX A 195 6.715 11.748 25.910 1.00 0.00 O +ATOM 2333 H1 UFX A 195 6.109 8.888 24.468 1.00 0.00 H +ATOM 2334 H2 UFX A 195 5.157 9.826 25.734 1.00 0.00 H +ATOM 2335 H3 UFX A 195 4.336 9.274 24.261 1.00 0.00 H +ATOM 2336 H4 UFX A 195 5.892 10.616 22.877 1.00 0.00 H +ATOM 2337 H5 UFX A 195 4.926 11.646 23.974 1.00 0.00 H +ATOM 2338 H6 UFX A 195 7.360 12.251 23.972 1.00 0.00 H +ATOM 2339 H7 UFX A 195 7.699 10.617 24.576 1.00 0.00 H +ATOM 2340 H8 UFX A 195 6.402 12.688 26.075 1.00 0.00 H +ATOM 2341 C1 UFX A 196 5.496 27.226 6.517 1.00 0.00 C +ATOM 2342 C2 UFX A 196 5.358 28.403 5.568 1.00 0.00 C +ATOM 2343 C3 UFX A 196 4.678 27.899 4.292 1.00 0.00 C +ATOM 2344 O1 UFX A 196 5.416 26.913 3.691 1.00 0.00 O +ATOM 2345 H1 UFX A 196 4.472 26.952 6.811 1.00 0.00 H +ATOM 2346 H2 UFX A 196 6.045 26.394 6.033 1.00 0.00 H +ATOM 2347 H3 UFX A 196 6.102 27.546 7.382 1.00 0.00 H +ATOM 2348 H4 UFX A 196 4.771 29.170 6.067 1.00 0.00 H +ATOM 2349 H5 UFX A 196 6.336 28.806 5.282 1.00 0.00 H +ATOM 2350 H6 UFX A 196 4.412 28.761 3.674 1.00 0.00 H +ATOM 2351 H7 UFX A 196 3.724 27.437 4.635 1.00 0.00 H +ATOM 2352 H8 UFX A 196 6.078 27.239 3.010 1.00 0.00 H +ATOM 2353 C1 UFX A 197 12.469 11.425 22.448 1.00 0.00 C +ATOM 2354 C2 UFX A 197 13.942 11.596 22.771 1.00 0.00 C +ATOM 2355 C3 UFX A 197 14.544 12.540 21.725 1.00 0.00 C +ATOM 2356 O1 UFX A 197 14.410 12.031 20.460 1.00 0.00 O +ATOM 2357 H1 UFX A 197 12.003 12.406 22.626 1.00 0.00 H +ATOM 2358 H2 UFX A 197 12.334 11.064 21.409 1.00 0.00 H +ATOM 2359 H3 UFX A 197 12.056 10.646 23.112 1.00 0.00 H +ATOM 2360 H4 UFX A 197 14.021 12.000 23.777 1.00 0.00 H +ATOM 2361 H5 UFX A 197 14.482 10.645 22.704 1.00 0.00 H +ATOM 2362 H6 UFX A 197 15.554 12.814 22.042 1.00 0.00 H +ATOM 2363 H7 UFX A 197 13.924 13.464 21.778 1.00 0.00 H +ATOM 2364 H8 UFX A 197 15.181 11.466 20.150 1.00 0.00 H +ATOM 2365 C1 UFX A 198 22.494 23.912 6.968 1.00 0.00 C +ATOM 2366 C2 UFX A 198 23.794 24.474 7.516 1.00 0.00 C +ATOM 2367 C3 UFX A 198 23.444 25.636 8.450 1.00 0.00 C +ATOM 2368 O1 UFX A 198 22.764 26.623 7.786 1.00 0.00 O +ATOM 2369 H1 UFX A 198 21.974 23.461 7.826 1.00 0.00 H +ATOM 2370 H2 UFX A 198 21.902 24.705 6.471 1.00 0.00 H +ATOM 2371 H3 UFX A 198 22.738 23.164 6.194 1.00 0.00 H +ATOM 2372 H4 UFX A 198 24.313 23.674 8.037 1.00 0.00 H +ATOM 2373 H5 UFX A 198 24.427 24.875 6.717 1.00 0.00 H +ATOM 2374 H6 UFX A 198 24.348 25.937 8.988 1.00 0.00 H +ATOM 2375 H7 UFX A 198 22.746 25.203 9.203 1.00 0.00 H +ATOM 2376 H8 UFX A 198 23.346 27.338 7.386 1.00 0.00 H +ATOM 2377 C1 UFX A 199 17.621 26.772 11.479 1.00 0.00 C +ATOM 2378 C2 UFX A 199 17.911 26.385 12.918 1.00 0.00 C +ATOM 2379 C3 UFX A 199 19.089 27.235 13.403 1.00 0.00 C +ATOM 2380 O1 UFX A 199 20.206 27.021 12.639 1.00 0.00 O +ATOM 2381 H1 UFX A 199 17.250 27.807 11.512 1.00 0.00 H +ATOM 2382 H2 UFX A 199 18.527 26.657 10.851 1.00 0.00 H +ATOM 2383 H3 UFX A 199 16.865 26.076 11.078 1.00 0.00 H +ATOM 2384 H4 UFX A 199 17.012 26.563 13.502 1.00 0.00 H +ATOM 2385 H5 UFX A 199 18.210 25.334 13.000 1.00 0.00 H +ATOM 2386 H6 UFX A 199 19.198 27.099 14.483 1.00 0.00 H +ATOM 2387 H7 UFX A 199 18.772 28.290 13.238 1.00 0.00 H +ATOM 2388 H8 UFX A 199 20.811 26.292 12.973 1.00 0.00 H +ATOM 2389 C1 UFX A 200 15.405 14.078 24.660 1.00 0.00 C +ATOM 2390 C2 UFX A 200 14.825 14.147 26.062 1.00 0.00 C +ATOM 2391 C3 UFX A 200 13.809 13.010 26.204 1.00 0.00 C +ATOM 2392 O1 UFX A 200 12.798 13.126 25.285 1.00 0.00 O +ATOM 2393 H1 UFX A 200 15.989 13.148 24.619 1.00 0.00 H +ATOM 2394 H2 UFX A 200 14.600 14.118 23.900 1.00 0.00 H +ATOM 2395 H3 UFX A 200 16.036 14.969 24.501 1.00 0.00 H +ATOM 2396 H4 UFX A 200 15.644 14.053 26.769 1.00 0.00 H +ATOM 2397 H5 UFX A 200 14.289 15.088 26.230 1.00 0.00 H +ATOM 2398 H6 UFX A 200 13.513 12.934 27.254 1.00 0.00 H +ATOM 2399 H7 UFX A 200 14.375 12.083 25.957 1.00 0.00 H +ATOM 2400 H8 UFX A 200 12.002 13.653 25.600 1.00 0.00 H +ATOM 2401 C1 UFX A 201 22.741 32.040 10.010 1.00 0.00 C +ATOM 2402 C2 UFX A 201 23.787 31.086 9.461 1.00 0.00 C +ATOM 2403 C3 UFX A 201 23.093 29.754 9.163 1.00 0.00 C +ATOM 2404 O1 UFX A 201 22.535 29.218 10.294 1.00 0.00 O +ATOM 2405 H1 UFX A 201 22.049 32.242 9.179 1.00 0.00 H +ATOM 2406 H2 UFX A 201 22.239 31.605 10.896 1.00 0.00 H +ATOM 2407 H3 UFX A 201 23.252 32.956 10.352 1.00 0.00 H +ATOM 2408 H4 UFX A 201 24.213 31.533 8.567 1.00 0.00 H +ATOM 2409 H5 UFX A 201 24.575 30.888 10.195 1.00 0.00 H +ATOM 2410 H6 UFX A 201 23.785 29.116 8.605 1.00 0.00 H +ATOM 2411 H7 UFX A 201 22.258 30.010 8.471 1.00 0.00 H +ATOM 2412 H8 UFX A 201 23.138 28.598 10.807 1.00 0.00 H +ATOM 2413 C1 UFX A 202 29.216 29.870 30.922 1.00 0.00 C +ATOM 2414 C2 UFX A 202 30.702 30.152 30.791 1.00 0.00 C +ATOM 2415 C3 UFX A 202 31.449 28.834 31.014 1.00 0.00 C +ATOM 2416 O1 UFX A 202 31.191 28.318 32.257 1.00 0.00 O +ATOM 2417 H1 UFX A 202 28.952 29.228 30.069 1.00 0.00 H +ATOM 2418 H2 UFX A 202 28.989 29.404 31.901 1.00 0.00 H +ATOM 2419 H3 UFX A 202 28.676 30.832 30.896 1.00 0.00 H +ATOM 2420 H4 UFX A 202 30.880 30.559 29.799 1.00 0.00 H +ATOM 2421 H5 UFX A 202 31.046 30.858 31.555 1.00 0.00 H +ATOM 2422 H6 UFX A 202 32.501 28.980 30.750 1.00 0.00 H +ATOM 2423 H7 UFX A 202 31.021 28.128 30.266 1.00 0.00 H +ATOM 2424 H8 UFX A 202 31.831 28.610 32.975 1.00 0.00 H +ATOM 2425 C1 UFX A 203 13.380 2.829 14.280 1.00 0.00 C +ATOM 2426 C2 UFX A 203 12.834 1.430 14.504 1.00 0.00 C +ATOM 2427 C3 UFX A 203 11.356 1.434 14.103 1.00 0.00 C +ATOM 2428 O1 UFX A 203 10.639 2.330 14.853 1.00 0.00 O +ATOM 2429 H1 UFX A 203 13.365 2.989 13.192 1.00 0.00 H +ATOM 2430 H2 UFX A 203 12.782 3.578 14.836 1.00 0.00 H +ATOM 2431 H3 UFX A 203 14.404 2.872 14.689 1.00 0.00 H +ATOM 2432 H4 UFX A 203 13.418 0.741 13.901 1.00 0.00 H +ATOM 2433 H5 UFX A 203 12.887 1.142 15.560 1.00 0.00 H +ATOM 2434 H6 UFX A 203 10.994 0.402 14.090 1.00 0.00 H +ATOM 2435 H7 UFX A 203 11.343 1.798 13.050 1.00 0.00 H +ATOM 2436 H8 UFX A 203 10.238 1.949 15.692 1.00 0.00 H +ATOM 2437 C1 UFX A 204 10.397 23.839 5.870 1.00 0.00 C +ATOM 2438 C2 UFX A 204 11.217 22.870 6.702 1.00 0.00 C +ATOM 2439 C3 UFX A 204 12.672 22.966 6.235 1.00 0.00 C +ATOM 2440 O1 UFX A 204 12.792 22.643 4.908 1.00 0.00 O +ATOM 2441 H1 UFX A 204 10.738 24.846 6.155 1.00 0.00 H +ATOM 2442 H2 UFX A 204 10.520 23.630 4.789 1.00 0.00 H +ATOM 2443 H3 UFX A 204 9.331 23.683 6.105 1.00 0.00 H +ATOM 2444 H4 UFX A 204 11.106 23.146 7.747 1.00 0.00 H +ATOM 2445 H5 UFX A 204 10.892 21.834 6.551 1.00 0.00 H +ATOM 2446 H6 UFX A 204 13.302 22.410 6.935 1.00 0.00 H +ATOM 2447 H7 UFX A 204 12.940 24.042 6.339 1.00 0.00 H +ATOM 2448 H8 UFX A 204 12.972 21.671 4.727 1.00 0.00 H +ATOM 2449 C1 UFX A 205 16.763 22.865 22.302 1.00 0.00 C +ATOM 2450 C2 UFX A 205 17.364 21.471 22.315 1.00 0.00 C +ATOM 2451 C3 UFX A 205 16.248 20.477 21.977 1.00 0.00 C +ATOM 2452 O1 UFX A 205 15.229 20.543 22.891 1.00 0.00 O +ATOM 2453 H1 UFX A 205 16.488 23.067 21.256 1.00 0.00 H +ATOM 2454 H2 UFX A 205 15.902 22.928 22.996 1.00 0.00 H +ATOM 2455 H3 UFX A 205 17.522 23.574 22.673 1.00 0.00 H +ATOM 2456 H4 UFX A 205 18.168 21.445 21.584 1.00 0.00 H +ATOM 2457 H5 UFX A 205 17.748 21.208 23.306 1.00 0.00 H +ATOM 2458 H6 UFX A 205 16.695 19.493 21.809 1.00 0.00 H +ATOM 2459 H7 UFX A 205 15.840 20.821 21.000 1.00 0.00 H +ATOM 2460 H8 UFX A 205 15.323 19.917 23.671 1.00 0.00 H +ATOM 2461 C1 UFX A 206 12.483 19.664 30.611 1.00 0.00 C +ATOM 2462 C2 UFX A 206 11.362 20.449 31.267 1.00 0.00 C +ATOM 2463 C3 UFX A 206 11.769 21.926 31.277 1.00 0.00 C +ATOM 2464 O1 UFX A 206 12.931 22.118 31.978 1.00 0.00 O +ATOM 2465 H1 UFX A 206 12.498 19.978 29.557 1.00 0.00 H +ATOM 2466 H2 UFX A 206 13.445 19.845 31.130 1.00 0.00 H +ATOM 2467 H3 UFX A 206 12.263 18.588 30.717 1.00 0.00 H +ATOM 2468 H4 UFX A 206 10.454 20.281 30.694 1.00 0.00 H +ATOM 2469 H5 UFX A 206 11.212 20.143 32.308 1.00 0.00 H +ATOM 2470 H6 UFX A 206 10.905 22.524 31.582 1.00 0.00 H +ATOM 2471 H7 UFX A 206 11.979 22.176 30.212 1.00 0.00 H +ATOM 2472 H8 UFX A 206 12.805 22.318 32.955 1.00 0.00 H +ATOM 2473 C1 UFX A 207 10.532 9.716 26.455 1.00 0.00 C +ATOM 2474 C2 UFX A 207 11.109 11.069 26.831 1.00 0.00 C +ATOM 2475 C3 UFX A 207 10.045 12.130 26.535 1.00 0.00 C +ATOM 2476 O1 UFX A 207 9.700 12.133 25.209 1.00 0.00 O +ATOM 2477 H1 UFX A 207 9.714 9.526 27.166 1.00 0.00 H +ATOM 2478 H2 UFX A 207 10.198 9.711 25.399 1.00 0.00 H +ATOM 2479 H3 UFX A 207 11.333 8.961 26.538 1.00 0.00 H +ATOM 2480 H4 UFX A 207 11.374 11.040 27.885 1.00 0.00 H +ATOM 2481 H5 UFX A 207 11.991 11.312 26.228 1.00 0.00 H +ATOM 2482 H6 UFX A 207 10.372 13.082 26.962 1.00 0.00 H +ATOM 2483 H7 UFX A 207 9.147 11.807 27.110 1.00 0.00 H +ATOM 2484 H8 UFX A 207 10.241 12.756 24.636 1.00 0.00 H +ATOM 2485 C1 UFX A 208 11.609 28.386 11.394 1.00 0.00 C +ATOM 2486 C2 UFX A 208 12.022 27.034 11.947 1.00 0.00 C +ATOM 2487 C3 UFX A 208 13.424 27.181 12.544 1.00 0.00 C +ATOM 2488 O1 UFX A 208 14.330 27.584 11.598 1.00 0.00 O +ATOM 2489 H1 UFX A 208 11.495 29.048 12.265 1.00 0.00 H +ATOM 2490 H2 UFX A 208 12.355 28.756 10.663 1.00 0.00 H +ATOM 2491 H3 UFX A 208 10.660 28.262 10.844 1.00 0.00 H +ATOM 2492 H4 UFX A 208 11.290 26.738 12.693 1.00 0.00 H +ATOM 2493 H5 UFX A 208 12.081 26.277 11.156 1.00 0.00 H +ATOM 2494 H6 UFX A 208 13.665 26.271 13.101 1.00 0.00 H +ATOM 2495 H7 UFX A 208 13.336 28.005 13.290 1.00 0.00 H +ATOM 2496 H8 UFX A 208 14.796 26.835 11.116 1.00 0.00 H +ATOM 2497 C1 UFX A 209 12.148 28.956 16.242 1.00 0.00 C +ATOM 2498 C2 UFX A 209 13.340 29.761 16.728 1.00 0.00 C +ATOM 2499 C3 UFX A 209 12.808 31.052 17.357 1.00 0.00 C +ATOM 2500 O1 UFX A 209 12.096 31.793 16.450 1.00 0.00 O +ATOM 2501 H1 UFX A 209 11.603 28.646 17.146 1.00 0.00 H +ATOM 2502 H2 UFX A 209 11.528 29.554 15.546 1.00 0.00 H +ATOM 2503 H3 UFX A 209 12.523 28.091 15.670 1.00 0.00 H +ATOM 2504 H4 UFX A 209 13.887 29.154 17.444 1.00 0.00 H +ATOM 2505 H5 UFX A 209 13.997 30.048 15.898 1.00 0.00 H +ATOM 2506 H6 UFX A 209 13.633 31.559 17.867 1.00 0.00 H +ATOM 2507 H7 UFX A 209 12.095 30.718 18.145 1.00 0.00 H +ATOM 2508 H8 UFX A 209 12.640 32.464 15.936 1.00 0.00 H +ATOM 2509 C1 UFX A 210 31.581 25.018 17.338 1.00 0.00 C +ATOM 2510 C2 UFX A 210 31.121 26.459 17.206 1.00 0.00 C +ATOM 2511 C3 UFX A 210 29.654 26.443 16.767 1.00 0.00 C +ATOM 2512 O1 UFX A 210 29.500 25.803 15.565 1.00 0.00 O +ATOM 2513 H1 UFX A 210 31.019 24.597 18.185 1.00 0.00 H +ATOM 2514 H2 UFX A 210 31.418 24.465 16.392 1.00 0.00 H +ATOM 2515 H3 UFX A 210 32.669 25.016 17.523 1.00 0.00 H +ATOM 2516 H4 UFX A 210 31.253 26.943 18.170 1.00 0.00 H +ATOM 2517 H5 UFX A 210 31.688 26.993 16.436 1.00 0.00 H +ATOM 2518 H6 UFX A 210 29.257 27.460 16.838 1.00 0.00 H +ATOM 2519 H7 UFX A 210 29.128 25.834 17.537 1.00 0.00 H +ATOM 2520 H8 UFX A 210 29.562 26.401 14.760 1.00 0.00 H +ATOM 2521 C1 UFX A 211 4.459 10.019 11.978 1.00 0.00 C +ATOM 2522 C2 UFX A 211 5.759 9.235 11.999 1.00 0.00 C +ATOM 2523 C3 UFX A 211 5.409 7.747 11.924 1.00 0.00 C +ATOM 2524 O1 UFX A 211 4.628 7.364 12.984 1.00 0.00 O +ATOM 2525 H1 UFX A 211 4.027 9.863 10.979 1.00 0.00 H +ATOM 2526 H2 UFX A 211 3.789 9.690 12.796 1.00 0.00 H +ATOM 2527 H3 UFX A 211 4.691 11.082 12.165 1.00 0.00 H +ATOM 2528 H4 UFX A 211 6.359 9.556 11.151 1.00 0.00 H +ATOM 2529 H5 UFX A 211 6.311 9.396 12.932 1.00 0.00 H +ATOM 2530 H6 UFX A 211 6.329 7.178 11.761 1.00 0.00 H +ATOM 2531 H7 UFX A 211 4.792 7.640 11.003 1.00 0.00 H +ATOM 2532 H8 UFX A 211 5.138 7.033 13.784 1.00 0.00 H +ATOM 2533 C1 UFX A 212 24.486 26.838 4.787 1.00 0.00 C +ATOM 2534 C2 UFX A 212 25.560 26.873 3.715 1.00 0.00 C +ATOM 2535 C3 UFX A 212 24.867 26.761 2.354 1.00 0.00 C +ATOM 2536 O1 UFX A 212 24.158 25.593 2.251 1.00 0.00 O +ATOM 2537 H1 UFX A 212 23.907 27.766 4.668 1.00 0.00 H +ATOM 2538 H2 UFX A 212 23.865 25.925 4.691 1.00 0.00 H +ATOM 2539 H3 UFX A 212 24.979 26.783 5.773 1.00 0.00 H +ATOM 2540 H4 UFX A 212 26.107 27.807 3.819 1.00 0.00 H +ATOM 2541 H5 UFX A 212 26.246 26.024 3.805 1.00 0.00 H +ATOM 2542 H6 UFX A 212 25.602 26.962 1.570 1.00 0.00 H +ATOM 2543 H7 UFX A 212 24.132 27.598 2.334 1.00 0.00 H +ATOM 2544 H8 UFX A 212 24.673 24.821 1.866 1.00 0.00 H +ATOM 2545 C1 UFX A 213 18.721 31.909 11.262 1.00 0.00 C +ATOM 2546 C2 UFX A 213 18.330 31.553 9.839 1.00 0.00 C +ATOM 2547 C3 UFX A 213 18.019 30.054 9.800 1.00 0.00 C +ATOM 2548 O1 UFX A 213 19.107 29.309 10.175 1.00 0.00 O +ATOM 2549 H1 UFX A 213 17.813 31.776 11.868 1.00 0.00 H +ATOM 2550 H2 UFX A 213 19.567 31.282 11.605 1.00 0.00 H +ATOM 2551 H3 UFX A 213 19.075 32.954 11.274 1.00 0.00 H +ATOM 2552 H4 UFX A 213 17.468 32.156 9.566 1.00 0.00 H +ATOM 2553 H5 UFX A 213 19.152 31.735 9.138 1.00 0.00 H +ATOM 2554 H6 UFX A 213 17.568 29.815 8.833 1.00 0.00 H +ATOM 2555 H7 UFX A 213 17.231 29.902 10.573 1.00 0.00 H +ATOM 2556 H8 UFX A 213 19.708 29.034 9.418 1.00 0.00 H +ATOM 2557 C1 UFX A 214 23.557 27.085 28.743 1.00 0.00 C +ATOM 2558 C2 UFX A 214 24.215 27.949 27.682 1.00 0.00 C +ATOM 2559 C3 UFX A 214 25.727 27.912 27.919 1.00 0.00 C +ATOM 2560 O1 UFX A 214 26.049 28.391 29.162 1.00 0.00 O +ATOM 2561 H1 UFX A 214 23.868 26.052 28.529 1.00 0.00 H +ATOM 2562 H2 UFX A 214 23.845 27.423 29.758 1.00 0.00 H +ATOM 2563 H3 UFX A 214 22.464 27.211 28.665 1.00 0.00 H +ATOM 2564 H4 UFX A 214 23.945 27.550 26.708 1.00 0.00 H +ATOM 2565 H5 UFX A 214 23.897 28.995 27.761 1.00 0.00 H +ATOM 2566 H6 UFX A 214 26.227 28.380 27.067 1.00 0.00 H +ATOM 2567 H7 UFX A 214 25.997 26.831 27.901 1.00 0.00 H +ATOM 2568 H8 UFX A 214 26.236 29.378 29.197 1.00 0.00 H +ATOM 2569 C1 UFX A 215 22.286 11.925 7.589 1.00 0.00 C +ATOM 2570 C2 UFX A 215 23.243 10.849 8.069 1.00 0.00 C +ATOM 2571 C3 UFX A 215 24.602 11.509 8.319 1.00 0.00 C +ATOM 2572 O1 UFX A 215 25.096 12.081 7.175 1.00 0.00 O +ATOM 2573 H1 UFX A 215 22.138 12.603 8.443 1.00 0.00 H +ATOM 2574 H2 UFX A 215 22.690 12.439 6.694 1.00 0.00 H +ATOM 2575 H3 UFX A 215 21.344 11.441 7.280 1.00 0.00 H +ATOM 2576 H4 UFX A 215 22.830 10.411 8.974 1.00 0.00 H +ATOM 2577 H5 UFX A 215 23.390 10.073 7.310 1.00 0.00 H +ATOM 2578 H6 UFX A 215 25.251 10.791 8.830 1.00 0.00 H +ATOM 2579 H7 UFX A 215 24.397 12.333 9.040 1.00 0.00 H +ATOM 2580 H8 UFX A 215 25.678 11.478 6.621 1.00 0.00 H +ATOM 2581 C1 UFX A 216 10.354 19.452 9.803 1.00 0.00 C +ATOM 2582 C2 UFX A 216 11.319 18.560 9.042 1.00 0.00 C +ATOM 2583 C3 UFX A 216 12.605 19.358 8.805 1.00 0.00 C +ATOM 2584 O1 UFX A 216 12.361 20.492 8.076 1.00 0.00 O +ATOM 2585 H1 UFX A 216 10.800 19.604 10.796 1.00 0.00 H +ATOM 2586 H2 UFX A 216 10.182 20.400 9.256 1.00 0.00 H +ATOM 2587 H3 UFX A 216 9.380 18.938 9.863 1.00 0.00 H +ATOM 2588 H4 UFX A 216 11.496 17.670 9.639 1.00 0.00 H +ATOM 2589 H5 UFX A 216 10.920 18.282 8.060 1.00 0.00 H +ATOM 2590 H6 UFX A 216 13.371 18.679 8.418 1.00 0.00 H +ATOM 2591 H7 UFX A 216 12.937 19.680 9.818 1.00 0.00 H +ATOM 2592 H8 UFX A 216 12.445 20.379 7.081 1.00 0.00 H +ATOM 2593 C1 UFX A 217 21.051 9.280 30.460 1.00 0.00 C +ATOM 2594 C2 UFX A 217 19.908 10.024 29.794 1.00 0.00 C +ATOM 2595 C3 UFX A 217 19.670 9.387 28.422 1.00 0.00 C +ATOM 2596 O1 UFX A 217 20.789 9.469 27.634 1.00 0.00 O +ATOM 2597 H1 UFX A 217 20.676 8.265 30.662 1.00 0.00 H +ATOM 2598 H2 UFX A 217 21.953 9.288 29.817 1.00 0.00 H +ATOM 2599 H3 UFX A 217 21.318 9.812 31.389 1.00 0.00 H +ATOM 2600 H4 UFX A 217 19.035 9.944 30.437 1.00 0.00 H +ATOM 2601 H5 UFX A 217 20.156 11.078 29.628 1.00 0.00 H +ATOM 2602 H6 UFX A 217 18.743 9.790 28.005 1.00 0.00 H +ATOM 2603 H7 UFX A 217 19.491 8.307 28.631 1.00 0.00 H +ATOM 2604 H8 UFX A 217 20.838 10.291 27.059 1.00 0.00 H +ATOM 2605 C1 UFX A 218 32.148 11.796 31.760 1.00 0.00 C +ATOM 2606 C2 UFX A 218 30.899 10.934 31.805 1.00 0.00 C +ATOM 2607 C3 UFX A 218 30.530 10.569 30.364 1.00 0.00 C +ATOM 2608 O1 UFX A 218 30.285 11.689 29.614 1.00 0.00 O +ATOM 2609 H1 UFX A 218 32.956 11.141 31.400 1.00 0.00 H +ATOM 2610 H2 UFX A 218 31.990 12.683 31.115 1.00 0.00 H +ATOM 2611 H3 UFX A 218 32.347 12.174 32.777 1.00 0.00 H +ATOM 2612 H4 UFX A 218 31.119 10.055 32.405 1.00 0.00 H +ATOM 2613 H5 UFX A 218 30.050 11.478 32.233 1.00 0.00 H +ATOM 2614 H6 UFX A 218 29.744 9.809 30.386 1.00 0.00 H +ATOM 2615 H7 UFX A 218 31.441 10.083 29.946 1.00 0.00 H +ATOM 2616 H8 UFX A 218 29.326 11.989 29.607 1.00 0.00 H +ATOM 2617 C1 UFX A 219 4.114 13.953 21.433 1.00 0.00 C +ATOM 2618 C2 UFX A 219 4.827 15.288 21.308 1.00 0.00 C +ATOM 2619 C3 UFX A 219 5.863 15.373 22.432 1.00 0.00 C +ATOM 2620 O1 UFX A 219 5.270 15.286 23.664 1.00 0.00 O +ATOM 2621 H1 UFX A 219 4.868 13.185 21.204 1.00 0.00 H +ATOM 2622 H2 UFX A 219 3.670 13.838 22.441 1.00 0.00 H +ATOM 2623 H3 UFX A 219 3.278 13.937 20.713 1.00 0.00 H +ATOM 2624 H4 UFX A 219 5.287 15.333 20.325 1.00 0.00 H +ATOM 2625 H5 UFX A 219 4.134 16.127 21.437 1.00 0.00 H +ATOM 2626 H6 UFX A 219 6.503 16.242 22.254 1.00 0.00 H +ATOM 2627 H7 UFX A 219 6.501 14.468 22.307 1.00 0.00 H +ATOM 2628 H8 UFX A 219 5.006 16.168 24.067 1.00 0.00 H +ATOM 2629 C1 UFX A 220 21.607 18.330 25.348 1.00 0.00 C +ATOM 2630 C2 UFX A 220 21.962 18.878 26.719 1.00 0.00 C +ATOM 2631 C3 UFX A 220 23.489 18.907 26.831 1.00 0.00 C +ATOM 2632 O1 UFX A 220 24.023 17.653 26.689 1.00 0.00 O +ATOM 2633 H1 UFX A 220 21.946 19.084 24.623 1.00 0.00 H +ATOM 2634 H2 UFX A 220 22.072 17.337 25.190 1.00 0.00 H +ATOM 2635 H3 UFX A 220 20.515 18.180 25.306 1.00 0.00 H +ATOM 2636 H4 UFX A 220 21.528 19.870 26.807 1.00 0.00 H +ATOM 2637 H5 UFX A 220 21.587 18.232 27.520 1.00 0.00 H +ATOM 2638 H6 UFX A 220 23.763 19.459 27.734 1.00 0.00 H +ATOM 2639 H7 UFX A 220 23.832 19.513 25.961 1.00 0.00 H +ATOM 2640 H8 UFX A 220 24.136 17.144 27.548 1.00 0.00 H +ATOM 2641 C1 UFX A 221 5.847 16.590 8.930 1.00 0.00 C +ATOM 2642 C2 UFX A 221 7.083 17.391 8.560 1.00 0.00 C +ATOM 2643 C3 UFX A 221 7.868 16.586 7.520 1.00 0.00 C +ATOM 2644 O1 UFX A 221 8.246 15.366 8.016 1.00 0.00 O +ATOM 2645 H1 UFX A 221 5.217 16.571 8.028 1.00 0.00 H +ATOM 2646 H2 UFX A 221 6.126 15.579 9.285 1.00 0.00 H +ATOM 2647 H3 UFX A 221 5.344 17.096 9.773 1.00 0.00 H +ATOM 2648 H4 UFX A 221 6.757 18.352 8.171 1.00 0.00 H +ATOM 2649 H5 UFX A 221 7.740 17.539 9.425 1.00 0.00 H +ATOM 2650 H6 UFX A 221 8.661 17.220 7.114 1.00 0.00 H +ATOM 2651 H7 UFX A 221 7.145 16.398 6.694 1.00 0.00 H +ATOM 2652 H8 UFX A 221 9.147 15.354 8.461 1.00 0.00 H +ATOM 2653 C1 UFX A 222 2.564 22.460 2.936 1.00 0.00 C +ATOM 2654 C2 UFX A 222 4.041 22.111 2.973 1.00 0.00 C +ATOM 2655 C3 UFX A 222 4.168 20.594 2.807 1.00 0.00 C +ATOM 2656 O1 UFX A 222 3.516 19.926 3.811 1.00 0.00 O +ATOM 2657 H1 UFX A 222 2.226 22.241 1.913 1.00 0.00 H +ATOM 2658 H2 UFX A 222 2.007 21.891 3.707 1.00 0.00 H +ATOM 2659 H3 UFX A 222 2.453 23.528 3.187 1.00 0.00 H +ATOM 2660 H4 UFX A 222 4.534 22.651 2.170 1.00 0.00 H +ATOM 2661 H5 UFX A 222 4.493 22.374 3.936 1.00 0.00 H +ATOM 2662 H6 UFX A 222 5.222 20.345 2.655 1.00 0.00 H +ATOM 2663 H7 UFX A 222 3.637 20.361 1.856 1.00 0.00 H +ATOM 2664 H8 UFX A 222 4.083 19.718 4.615 1.00 0.00 H +ATOM 2665 C1 UFX A 223 26.198 6.254 31.692 1.00 0.00 C +ATOM 2666 C2 UFX A 223 27.282 6.822 30.793 1.00 0.00 C +ATOM 2667 C3 UFX A 223 28.612 6.186 31.205 1.00 0.00 C +ATOM 2668 O1 UFX A 223 28.913 6.464 32.513 1.00 0.00 O +ATOM 2669 H1 UFX A 223 26.115 5.189 31.431 1.00 0.00 H +ATOM 2670 H2 UFX A 223 26.446 6.421 32.758 1.00 0.00 H +ATOM 2671 H3 UFX A 223 25.260 6.801 31.494 1.00 0.00 H +ATOM 2672 H4 UFX A 223 27.021 6.589 29.764 1.00 0.00 H +ATOM 2673 H5 UFX A 223 27.383 7.905 30.919 1.00 0.00 H +ATOM 2674 H6 UFX A 223 29.370 6.446 30.460 1.00 0.00 H +ATOM 2675 H7 UFX A 223 28.445 5.088 31.130 1.00 0.00 H +ATOM 2676 H8 UFX A 223 29.458 7.296 32.652 1.00 0.00 H +ATOM 2677 C1 UFX A 224 12.528 20.943 23.575 1.00 0.00 C +ATOM 2678 C2 UFX A 224 13.391 22.172 23.355 1.00 0.00 C +ATOM 2679 C3 UFX A 224 12.484 23.403 23.441 1.00 0.00 C +ATOM 2680 O1 UFX A 224 11.497 23.362 22.490 1.00 0.00 O +ATOM 2681 H1 UFX A 224 12.189 20.994 24.621 1.00 0.00 H +ATOM 2682 H2 UFX A 224 11.691 20.916 22.850 1.00 0.00 H +ATOM 2683 H3 UFX A 224 13.144 20.047 23.385 1.00 0.00 H +ATOM 2684 H4 UFX A 224 14.164 22.182 24.119 1.00 0.00 H +ATOM 2685 H5 UFX A 224 13.848 22.170 22.359 1.00 0.00 H +ATOM 2686 H6 UFX A 224 13.110 24.299 23.461 1.00 0.00 H +ATOM 2687 H7 UFX A 224 11.988 23.329 24.436 1.00 0.00 H +ATOM 2688 H8 UFX A 224 11.734 23.803 21.619 1.00 0.00 H +ATOM 2689 C1 UFX A 225 31.529 14.375 27.800 1.00 0.00 C +ATOM 2690 C2 UFX A 225 31.884 15.219 26.589 1.00 0.00 C +ATOM 2691 C3 UFX A 225 31.163 14.625 25.376 1.00 0.00 C +ATOM 2692 O1 UFX A 225 31.544 13.327 25.156 1.00 0.00 O +ATOM 2693 H1 UFX A 225 30.456 14.539 27.980 1.00 0.00 H +ATOM 2694 H2 UFX A 225 31.781 13.311 27.624 1.00 0.00 H +ATOM 2695 H3 UFX A 225 32.145 14.711 28.651 1.00 0.00 H +ATOM 2696 H4 UFX A 225 31.573 16.241 26.789 1.00 0.00 H +ATOM 2697 H5 UFX A 225 32.959 15.189 26.379 1.00 0.00 H +ATOM 2698 H6 UFX A 225 31.263 15.318 24.535 1.00 0.00 H +ATOM 2699 H7 UFX A 225 30.085 14.610 25.659 1.00 0.00 H +ATOM 2700 H8 UFX A 225 32.326 13.219 24.534 1.00 0.00 H +ATOM 2701 C1 UFX A 226 21.704 14.828 5.291 1.00 0.00 C +ATOM 2702 C2 UFX A 226 22.392 15.218 6.587 1.00 0.00 C +ATOM 2703 C3 UFX A 226 22.613 16.733 6.562 1.00 0.00 C +ATOM 2704 O1 UFX A 226 23.395 17.105 5.500 1.00 0.00 O +ATOM 2705 H1 UFX A 226 20.701 15.278 5.333 1.00 0.00 H +ATOM 2706 H2 UFX A 226 22.294 15.165 4.416 1.00 0.00 H +ATOM 2707 H3 UFX A 226 21.659 13.727 5.239 1.00 0.00 H +ATOM 2708 H4 UFX A 226 21.753 14.912 7.412 1.00 0.00 H +ATOM 2709 H5 UFX A 226 23.376 14.744 6.679 1.00 0.00 H +ATOM 2710 H6 UFX A 226 22.944 17.054 7.554 1.00 0.00 H +ATOM 2711 H7 UFX A 226 21.602 17.171 6.398 1.00 0.00 H +ATOM 2712 H8 UFX A 226 24.381 17.132 5.693 1.00 0.00 H +ATOM 2713 C1 UFX A 227 10.032 23.839 28.977 1.00 0.00 C +ATOM 2714 C2 UFX A 227 8.829 24.513 28.341 1.00 0.00 C +ATOM 2715 C3 UFX A 227 9.267 25.064 26.981 1.00 0.00 C +ATOM 2716 O1 UFX A 227 10.283 25.974 27.115 1.00 0.00 O +ATOM 2717 H1 UFX A 227 10.251 22.959 28.354 1.00 0.00 H +ATOM 2718 H2 UFX A 227 10.884 24.543 29.049 1.00 0.00 H +ATOM 2719 H3 UFX A 227 9.766 23.556 30.010 1.00 0.00 H +ATOM 2720 H4 UFX A 227 8.040 23.772 28.246 1.00 0.00 H +ATOM 2721 H5 UFX A 227 8.479 25.360 28.941 1.00 0.00 H +ATOM 2722 H6 UFX A 227 8.379 25.394 26.435 1.00 0.00 H +ATOM 2723 H7 UFX A 227 9.679 24.187 26.432 1.00 0.00 H +ATOM 2724 H8 UFX A 227 9.982 26.928 27.218 1.00 0.00 H +ATOM 2725 C1 UFX A 228 2.070 25.783 8.504 1.00 0.00 C +ATOM 2726 C2 UFX A 228 2.757 24.724 7.662 1.00 0.00 C +ATOM 2727 C3 UFX A 228 2.075 24.701 6.291 1.00 0.00 C +ATOM 2728 O1 UFX A 228 0.742 24.402 6.402 1.00 0.00 O +ATOM 2729 H1 UFX A 228 2.310 26.748 8.034 1.00 0.00 H +ATOM 2730 H2 UFX A 228 0.981 25.591 8.565 1.00 0.00 H +ATOM 2731 H3 UFX A 228 2.462 25.718 9.533 1.00 0.00 H +ATOM 2732 H4 UFX A 228 3.810 24.983 7.589 1.00 0.00 H +ATOM 2733 H5 UFX A 228 2.646 23.726 8.100 1.00 0.00 H +ATOM 2734 H6 UFX A 228 2.666 24.074 5.616 1.00 0.00 H +ATOM 2735 H7 UFX A 228 2.150 25.746 5.913 1.00 0.00 H +ATOM 2736 H8 UFX A 228 0.525 23.422 6.341 1.00 0.00 H +ATOM 2737 C1 UFX A 229 14.844 1.175 2.109 1.00 0.00 C +ATOM 2738 C2 UFX A 229 15.268 2.034 0.931 1.00 0.00 C +ATOM 2739 C3 UFX A 229 16.646 2.620 1.251 1.00 0.00 C +ATOM 2740 O1 UFX A 229 16.610 3.388 2.385 1.00 0.00 O +ATOM 2741 H1 UFX A 229 15.537 0.321 2.127 1.00 0.00 H +ATOM 2742 H2 UFX A 229 14.858 1.763 3.048 1.00 0.00 H +ATOM 2743 H3 UFX A 229 13.801 0.856 1.949 1.00 0.00 H +ATOM 2744 H4 UFX A 229 15.289 1.403 0.046 1.00 0.00 H +ATOM 2745 H5 UFX A 229 14.582 2.874 0.777 1.00 0.00 H +ATOM 2746 H6 UFX A 229 17.043 3.094 0.348 1.00 0.00 H +ATOM 2747 H7 UFX A 229 17.293 1.740 1.468 1.00 0.00 H +ATOM 2748 H8 UFX A 229 16.416 4.362 2.228 1.00 0.00 H +ATOM 2749 C1 UFX A 230 11.231 27.780 21.213 1.00 0.00 C +ATOM 2750 C2 UFX A 230 11.433 28.737 20.051 1.00 0.00 C +ATOM 2751 C3 UFX A 230 10.060 29.018 19.433 1.00 0.00 C +ATOM 2752 O1 UFX A 230 9.472 27.866 18.979 1.00 0.00 O +ATOM 2753 H1 UFX A 230 10.670 28.342 21.973 1.00 0.00 H +ATOM 2754 H2 UFX A 230 10.710 26.862 20.879 1.00 0.00 H +ATOM 2755 H3 UFX A 230 12.223 27.467 21.581 1.00 0.00 H +ATOM 2756 H4 UFX A 230 11.900 29.639 20.435 1.00 0.00 H +ATOM 2757 H5 UFX A 230 12.060 28.294 19.269 1.00 0.00 H +ATOM 2758 H6 UFX A 230 10.162 29.836 18.713 1.00 0.00 H +ATOM 2759 H7 UFX A 230 9.437 29.399 20.273 1.00 0.00 H +ATOM 2760 H8 UFX A 230 9.673 27.641 18.020 1.00 0.00 H +ATOM 2761 C1 UFX A 231 6.145 4.495 7.997 1.00 0.00 C +ATOM 2762 C2 UFX A 231 5.844 5.866 7.417 1.00 0.00 C +ATOM 2763 C3 UFX A 231 6.968 6.813 7.845 1.00 0.00 C +ATOM 2764 O1 UFX A 231 7.050 6.903 9.210 1.00 0.00 O +ATOM 2765 H1 UFX A 231 7.050 4.140 7.481 1.00 0.00 H +ATOM 2766 H2 UFX A 231 6.268 4.553 9.096 1.00 0.00 H +ATOM 2767 H3 UFX A 231 5.279 3.839 7.807 1.00 0.00 H +ATOM 2768 H4 UFX A 231 5.783 5.767 6.336 1.00 0.00 H +ATOM 2769 H5 UFX A 231 4.905 6.271 7.810 1.00 0.00 H +ATOM 2770 H6 UFX A 231 6.862 7.753 7.295 1.00 0.00 H +ATOM 2771 H7 UFX A 231 7.906 6.330 7.488 1.00 0.00 H +ATOM 2772 H8 UFX A 231 6.500 7.640 9.617 1.00 0.00 H +ATOM 2773 C1 UFX A 232 20.046 8.106 16.444 1.00 0.00 C +ATOM 2774 C2 UFX A 232 19.015 7.367 17.279 1.00 0.00 C +ATOM 2775 C3 UFX A 232 19.115 5.878 16.935 1.00 0.00 C +ATOM 2776 O1 UFX A 232 18.868 5.656 15.605 1.00 0.00 O +ATOM 2777 H1 UFX A 232 21.028 7.778 16.814 1.00 0.00 H +ATOM 2778 H2 UFX A 232 19.898 7.899 15.365 1.00 0.00 H +ATOM 2779 H3 UFX A 232 19.894 9.190 16.583 1.00 0.00 H +ATOM 2780 H4 UFX A 232 19.231 7.559 18.326 1.00 0.00 H +ATOM 2781 H5 UFX A 232 17.996 7.691 17.040 1.00 0.00 H +ATOM 2782 H6 UFX A 232 18.509 5.313 17.649 1.00 0.00 H +ATOM 2783 H7 UFX A 232 20.178 5.607 17.124 1.00 0.00 H +ATOM 2784 H8 UFX A 232 17.906 5.473 15.380 1.00 0.00 H +ATOM 2785 C1 UFX A 233 19.235 3.384 31.578 1.00 0.00 C +ATOM 2786 C2 UFX A 233 19.568 1.904 31.520 1.00 0.00 C +ATOM 2787 C3 UFX A 233 18.475 1.210 30.702 1.00 0.00 C +ATOM 2788 O1 UFX A 233 17.241 1.378 31.274 1.00 0.00 O +ATOM 2789 H1 UFX A 233 19.346 3.760 30.550 1.00 0.00 H +ATOM 2790 H2 UFX A 233 18.219 3.542 31.989 1.00 0.00 H +ATOM 2791 H3 UFX A 233 19.940 3.872 32.273 1.00 0.00 H +ATOM 2792 H4 UFX A 233 20.548 1.797 31.064 1.00 0.00 H +ATOM 2793 H5 UFX A 233 19.567 1.452 32.518 1.00 0.00 H +ATOM 2794 H6 UFX A 233 18.788 0.181 30.501 1.00 0.00 H +ATOM 2795 H7 UFX A 233 18.462 1.743 29.724 1.00 0.00 H +ATOM 2796 H8 UFX A 233 16.978 0.659 31.925 1.00 0.00 H +ATOM 2797 C1 UFX A 234 11.233 19.860 18.675 1.00 0.00 C +ATOM 2798 C2 UFX A 234 10.874 21.256 19.150 1.00 0.00 C +ATOM 2799 C3 UFX A 234 9.916 21.114 20.337 1.00 0.00 C +ATOM 2800 O1 UFX A 234 8.775 20.446 19.980 1.00 0.00 O +ATOM 2801 H1 UFX A 234 11.824 19.407 19.484 1.00 0.00 H +ATOM 2802 H2 UFX A 234 10.320 19.282 18.429 1.00 0.00 H +ATOM 2803 H3 UFX A 234 11.813 19.949 17.741 1.00 0.00 H +ATOM 2804 H4 UFX A 234 11.794 21.764 19.427 1.00 0.00 H +ATOM 2805 H5 UFX A 234 10.350 21.824 18.373 1.00 0.00 H +ATOM 2806 H6 UFX A 234 9.787 22.096 20.802 1.00 0.00 H +ATOM 2807 H7 UFX A 234 10.458 20.475 21.072 1.00 0.00 H +ATOM 2808 H8 UFX A 234 8.025 21.035 19.660 1.00 0.00 H +ATOM 2809 C1 UFX A 235 9.890 17.118 20.005 1.00 0.00 C +ATOM 2810 C2 UFX A 235 11.286 16.803 19.497 1.00 0.00 C +ATOM 2811 C3 UFX A 235 11.341 15.307 19.176 1.00 0.00 C +ATOM 2812 O1 UFX A 235 11.077 14.548 20.287 1.00 0.00 O +ATOM 2813 H1 UFX A 235 9.215 16.970 19.149 1.00 0.00 H +ATOM 2814 H2 UFX A 235 9.634 16.478 20.873 1.00 0.00 H +ATOM 2815 H3 UFX A 235 9.877 18.161 20.364 1.00 0.00 H +ATOM 2816 H4 UFX A 235 11.470 17.416 18.619 1.00 0.00 H +ATOM 2817 H5 UFX A 235 12.046 17.002 20.261 1.00 0.00 H +ATOM 2818 H6 UFX A 235 12.274 15.097 18.646 1.00 0.00 H +ATOM 2819 H7 UFX A 235 10.510 15.135 18.453 1.00 0.00 H +ATOM 2820 H8 UFX A 235 11.887 14.293 20.823 1.00 0.00 H +ATOM 2821 C1 UFX A 236 16.439 4.302 12.009 1.00 0.00 C +ATOM 2822 C2 UFX A 236 16.393 5.683 12.637 1.00 0.00 C +ATOM 2823 C3 UFX A 236 15.192 6.426 12.046 1.00 0.00 C +ATOM 2824 O1 UFX A 236 15.301 6.547 10.685 1.00 0.00 O +ATOM 2825 H1 UFX A 236 15.548 3.771 12.376 1.00 0.00 H +ATOM 2826 H2 UFX A 236 16.476 4.374 10.904 1.00 0.00 H +ATOM 2827 H3 UFX A 236 17.373 3.807 12.326 1.00 0.00 H +ATOM 2828 H4 UFX A 236 16.306 5.560 13.714 1.00 0.00 H +ATOM 2829 H5 UFX A 236 17.289 6.265 12.397 1.00 0.00 H +ATOM 2830 H6 UFX A 236 15.038 7.350 12.611 1.00 0.00 H +ATOM 2831 H7 UFX A 236 14.315 5.769 12.250 1.00 0.00 H +ATOM 2832 H8 UFX A 236 15.761 7.385 10.373 1.00 0.00 H +ATOM 2833 C1 UFX A 237 29.110 5.923 12.667 1.00 0.00 C +ATOM 2834 C2 UFX A 237 30.435 6.618 12.407 1.00 0.00 C +ATOM 2835 C3 UFX A 237 31.343 5.632 11.667 1.00 0.00 C +ATOM 2836 O1 UFX A 237 31.559 4.500 12.408 1.00 0.00 O +ATOM 2837 H1 UFX A 237 28.648 5.773 11.680 1.00 0.00 H +ATOM 2838 H2 UFX A 237 29.265 4.976 13.221 1.00 0.00 H +ATOM 2839 H3 UFX A 237 28.497 6.573 13.315 1.00 0.00 H +ATOM 2840 H4 UFX A 237 30.237 7.510 11.820 1.00 0.00 H +ATOM 2841 H5 UFX A 237 30.938 6.888 13.342 1.00 0.00 H +ATOM 2842 H6 UFX A 237 32.230 6.169 11.317 1.00 0.00 H +ATOM 2843 H7 UFX A 237 30.767 5.331 10.762 1.00 0.00 H +ATOM 2844 H8 UFX A 237 32.366 4.537 13.005 1.00 0.00 H +ATOM 2845 C1 UFX A 238 13.417 11.850 31.090 1.00 0.00 C +ATOM 2846 C2 UFX A 238 13.678 10.366 30.902 1.00 0.00 C +ATOM 2847 C3 UFX A 238 13.933 9.757 32.283 1.00 0.00 C +ATOM 2848 O1 UFX A 238 15.015 10.337 32.892 1.00 0.00 O +ATOM 2849 H1 UFX A 238 12.462 11.924 31.630 1.00 0.00 H +ATOM 2850 H2 UFX A 238 14.258 12.331 31.627 1.00 0.00 H +ATOM 2851 H3 UFX A 238 13.365 12.322 30.094 1.00 0.00 H +ATOM 2852 H4 UFX A 238 12.808 9.930 30.418 1.00 0.00 H +ATOM 2853 H5 UFX A 238 14.573 10.188 30.295 1.00 0.00 H +ATOM 2854 H6 UFX A 238 13.947 8.667 32.188 1.00 0.00 H +ATOM 2855 H7 UFX A 238 13.034 10.020 32.886 1.00 0.00 H +ATOM 2856 H8 UFX A 238 15.892 9.881 32.713 1.00 0.00 H +ATOM 2857 C1 UFX A 239 1.617 27.350 22.021 1.00 0.00 C +ATOM 2858 C2 UFX A 239 0.603 27.858 21.011 1.00 0.00 C +ATOM 2859 C3 UFX A 239 1.376 28.456 19.832 1.00 0.00 C +ATOM 2860 O1 UFX A 239 2.176 29.493 20.236 1.00 0.00 O +ATOM 2861 H1 UFX A 239 2.129 26.505 21.538 1.00 0.00 H +ATOM 2862 H2 UFX A 239 2.310 28.161 22.323 1.00 0.00 H +ATOM 2863 H3 UFX A 239 1.076 27.039 22.931 1.00 0.00 H +ATOM 2864 H4 UFX A 239 -0.017 27.019 20.708 1.00 0.00 H +ATOM 2865 H5 UFX A 239 -0.020 28.654 21.432 1.00 0.00 H +ATOM 2866 H6 UFX A 239 0.672 28.664 19.022 1.00 0.00 H +ATOM 2867 H7 UFX A 239 2.046 27.639 19.480 1.00 0.00 H +ATOM 2868 H8 UFX A 239 1.743 30.399 20.196 1.00 0.00 H +ATOM 2869 C1 UFX A 240 13.867 11.571 7.531 1.00 0.00 C +ATOM 2870 C2 UFX A 240 15.070 12.494 7.606 1.00 0.00 C +ATOM 2871 C3 UFX A 240 14.625 13.788 8.293 1.00 0.00 C +ATOM 2872 O1 UFX A 240 13.620 14.404 7.593 1.00 0.00 O +ATOM 2873 H1 UFX A 240 13.633 11.294 8.570 1.00 0.00 H +ATOM 2874 H2 UFX A 240 13.023 12.067 7.014 1.00 0.00 H +ATOM 2875 H3 UFX A 240 14.141 10.692 6.922 1.00 0.00 H +ATOM 2876 H4 UFX A 240 15.851 11.984 8.164 1.00 0.00 H +ATOM 2877 H5 UFX A 240 15.435 12.761 6.608 1.00 0.00 H +ATOM 2878 H6 UFX A 240 15.511 14.390 8.514 1.00 0.00 H +ATOM 2879 H7 UFX A 240 14.199 13.466 9.270 1.00 0.00 H +ATOM 2880 H8 UFX A 240 13.931 15.070 6.909 1.00 0.00 H +ATOM 2881 C1 UFX A 241 18.999 15.929 19.694 1.00 0.00 C +ATOM 2882 C2 UFX A 241 18.450 14.640 19.109 1.00 0.00 C +ATOM 2883 C3 UFX A 241 19.563 13.589 19.166 1.00 0.00 C +ATOM 2884 O1 UFX A 241 20.661 13.986 18.447 1.00 0.00 O +ATOM 2885 H1 UFX A 241 19.168 15.729 20.763 1.00 0.00 H +ATOM 2886 H2 UFX A 241 19.919 16.242 19.162 1.00 0.00 H +ATOM 2887 H3 UFX A 241 18.254 16.727 19.537 1.00 0.00 H +ATOM 2888 H4 UFX A 241 17.583 14.347 19.695 1.00 0.00 H +ATOM 2889 H5 UFX A 241 18.170 14.763 18.057 1.00 0.00 H +ATOM 2890 H6 UFX A 241 19.136 12.614 18.915 1.00 0.00 H +ATOM 2891 H7 UFX A 241 19.866 13.546 20.237 1.00 0.00 H +ATOM 2892 H8 UFX A 241 20.662 13.693 17.486 1.00 0.00 H +ATOM 2893 C1 UFX A 242 3.669 18.000 18.847 1.00 0.00 C +ATOM 2894 C2 UFX A 242 3.579 19.276 19.665 1.00 0.00 C +ATOM 2895 C3 UFX A 242 4.812 19.337 20.572 1.00 0.00 C +ATOM 2896 O1 UFX A 242 4.865 18.258 21.414 1.00 0.00 O +ATOM 2897 H1 UFX A 242 4.529 18.130 18.174 1.00 0.00 H +ATOM 2898 H2 UFX A 242 3.765 17.116 19.507 1.00 0.00 H +ATOM 2899 H3 UFX A 242 2.725 17.878 18.289 1.00 0.00 H +ATOM 2900 H4 UFX A 242 3.538 20.115 18.975 1.00 0.00 H +ATOM 2901 H5 UFX A 242 2.695 19.278 20.312 1.00 0.00 H +ATOM 2902 H6 UFX A 242 4.855 20.327 21.036 1.00 0.00 H +ATOM 2903 H7 UFX A 242 5.683 19.262 19.882 1.00 0.00 H +ATOM 2904 H8 UFX A 242 4.412 18.394 22.301 1.00 0.00 H +ATOM 2905 C1 UFX A 243 31.993 6.859 31.346 1.00 0.00 C +ATOM 2906 C2 UFX A 243 32.060 5.866 30.199 1.00 0.00 C +ATOM 2907 C3 UFX A 243 32.086 6.663 28.891 1.00 0.00 C +ATOM 2908 O1 UFX A 243 30.964 7.439 28.758 1.00 0.00 O +ATOM 2909 H1 UFX A 243 32.953 7.395 31.340 1.00 0.00 H +ATOM 2910 H2 UFX A 243 31.121 7.533 31.231 1.00 0.00 H +ATOM 2911 H3 UFX A 243 31.839 6.298 32.283 1.00 0.00 H +ATOM 2912 H4 UFX A 243 32.956 5.265 30.328 1.00 0.00 H +ATOM 2913 H5 UFX A 243 31.175 5.221 30.173 1.00 0.00 H +ATOM 2914 H6 UFX A 243 32.312 5.978 28.069 1.00 0.00 H +ATOM 2915 H7 UFX A 243 32.956 7.352 28.989 1.00 0.00 H +ATOM 2916 H8 UFX A 243 30.201 6.995 28.278 1.00 0.00 H +ATOM 2917 C1 UFX A 244 9.569 19.523 5.391 1.00 0.00 C +ATOM 2918 C2 UFX A 244 8.286 19.922 4.685 1.00 0.00 C +ATOM 2919 C3 UFX A 244 7.250 18.823 4.939 1.00 0.00 C +ATOM 2920 O1 UFX A 244 7.679 17.614 4.458 1.00 0.00 O +ATOM 2921 H1 UFX A 244 9.348 19.564 6.468 1.00 0.00 H +ATOM 2922 H2 UFX A 244 9.907 18.523 5.056 1.00 0.00 H +ATOM 2923 H3 UFX A 244 10.359 20.239 5.106 1.00 0.00 H +ATOM 2924 H4 UFX A 244 7.967 20.882 5.083 1.00 0.00 H +ATOM 2925 H5 UFX A 244 8.429 19.994 3.601 1.00 0.00 H +ATOM 2926 H6 UFX A 244 6.275 19.174 4.591 1.00 0.00 H +ATOM 2927 H7 UFX A 244 7.188 18.735 6.048 1.00 0.00 H +ATOM 2928 H8 UFX A 244 7.408 17.418 3.510 1.00 0.00 H +ATOM 2929 C1 UFX A 245 6.743 29.485 18.047 1.00 0.00 C +ATOM 2930 C2 UFX A 245 6.513 30.848 18.677 1.00 0.00 C +ATOM 2931 C3 UFX A 245 5.071 30.890 19.189 1.00 0.00 C +ATOM 2932 O1 UFX A 245 4.174 30.701 18.170 1.00 0.00 O +ATOM 2933 H1 UFX A 245 6.696 28.759 18.872 1.00 0.00 H +ATOM 2934 H2 UFX A 245 5.995 29.288 17.254 1.00 0.00 H +ATOM 2935 H3 UFX A 245 7.731 29.491 17.558 1.00 0.00 H +ATOM 2936 H4 UFX A 245 7.235 30.973 19.479 1.00 0.00 H +ATOM 2937 H5 UFX A 245 6.624 31.654 17.943 1.00 0.00 H +ATOM 2938 H6 UFX A 245 4.942 31.789 19.798 1.00 0.00 H +ATOM 2939 H7 UFX A 245 4.981 30.016 19.875 1.00 0.00 H +ATOM 2940 H8 UFX A 245 3.863 31.544 17.722 1.00 0.00 H +ATOM 2941 C1 UFX A 246 27.488 26.377 6.437 1.00 0.00 C +ATOM 2942 C2 UFX A 246 28.710 25.546 6.091 1.00 0.00 C +ATOM 2943 C3 UFX A 246 29.794 26.498 5.577 1.00 0.00 C +ATOM 2944 O1 UFX A 246 29.373 27.177 4.463 1.00 0.00 O +ATOM 2945 H1 UFX A 246 27.776 26.996 7.299 1.00 0.00 H +ATOM 2946 H2 UFX A 246 27.160 26.976 5.565 1.00 0.00 H +ATOM 2947 H3 UFX A 246 26.659 25.691 6.681 1.00 0.00 H +ATOM 2948 H4 UFX A 246 29.023 25.019 6.988 1.00 0.00 H +ATOM 2949 H5 UFX A 246 28.496 24.830 5.290 1.00 0.00 H +ATOM 2950 H6 UFX A 246 30.734 25.946 5.491 1.00 0.00 H +ATOM 2951 H7 UFX A 246 29.930 27.248 6.390 1.00 0.00 H +ATOM 2952 H8 UFX A 246 29.589 26.728 3.591 1.00 0.00 H +ATOM 2953 C1 UFX A 247 25.518 5.129 19.547 1.00 0.00 C +ATOM 2954 C2 UFX A 247 26.834 4.951 18.811 1.00 0.00 C +ATOM 2955 C3 UFX A 247 27.377 3.561 19.153 1.00 0.00 C +ATOM 2956 O1 UFX A 247 27.586 3.426 20.501 1.00 0.00 O +ATOM 2957 H1 UFX A 247 24.817 4.413 19.093 1.00 0.00 H +ATOM 2958 H2 UFX A 247 25.653 4.973 20.635 1.00 0.00 H +ATOM 2959 H3 UFX A 247 25.184 6.173 19.415 1.00 0.00 H +ATOM 2960 H4 UFX A 247 26.641 5.063 17.747 1.00 0.00 H +ATOM 2961 H5 UFX A 247 27.580 5.684 19.137 1.00 0.00 H +ATOM 2962 H6 UFX A 247 28.227 3.346 18.499 1.00 0.00 H +ATOM 2963 H7 UFX A 247 26.563 2.854 18.872 1.00 0.00 H +ATOM 2964 H8 UFX A 247 28.508 3.679 20.811 1.00 0.00 H +ATOM 2965 C1 UFX A 248 27.133 12.183 14.088 1.00 0.00 C +ATOM 2966 C2 UFX A 248 27.416 11.900 12.624 1.00 0.00 C +ATOM 2967 C3 UFX A 248 28.153 13.112 12.047 1.00 0.00 C +ATOM 2968 O1 UFX A 248 27.398 14.251 12.153 1.00 0.00 O +ATOM 2969 H1 UFX A 248 28.112 12.205 14.588 1.00 0.00 H +ATOM 2970 H2 UFX A 248 26.567 13.129 14.203 1.00 0.00 H +ATOM 2971 H3 UFX A 248 26.488 11.378 14.480 1.00 0.00 H +ATOM 2972 H4 UFX A 248 28.015 10.994 12.567 1.00 0.00 H +ATOM 2973 H5 UFX A 248 26.491 11.775 12.051 1.00 0.00 H +ATOM 2974 H6 UFX A 248 28.520 12.856 11.049 1.00 0.00 H +ATOM 2975 H7 UFX A 248 29.047 13.246 12.698 1.00 0.00 H +ATOM 2976 H8 UFX A 248 26.809 14.441 11.361 1.00 0.00 H +ATOM 2977 C1 UFX A 249 3.912 32.245 23.639 1.00 0.00 C +ATOM 2978 C2 UFX A 249 3.852 31.391 24.893 1.00 0.00 C +ATOM 2979 C3 UFX A 249 2.457 30.764 24.966 1.00 0.00 C +ATOM 2980 O1 UFX A 249 1.481 31.725 25.021 1.00 0.00 O +ATOM 2981 H1 UFX A 249 3.853 31.545 22.792 1.00 0.00 H +ATOM 2982 H2 UFX A 249 3.099 32.997 23.637 1.00 0.00 H +ATOM 2983 H3 UFX A 249 4.863 32.805 23.645 1.00 0.00 H +ATOM 2984 H4 UFX A 249 4.634 30.639 24.825 1.00 0.00 H +ATOM 2985 H5 UFX A 249 3.988 31.994 25.797 1.00 0.00 H +ATOM 2986 H6 UFX A 249 2.452 30.012 25.760 1.00 0.00 H +ATOM 2987 H7 UFX A 249 2.332 30.221 24.002 1.00 0.00 H +ATOM 2988 H8 UFX A 249 1.221 32.008 25.950 1.00 0.00 H +ATOM 2989 C1 UFX A 250 1.035 15.340 21.441 1.00 0.00 C +ATOM 2990 C2 UFX A 250 0.582 16.516 22.289 1.00 0.00 C +ATOM 2991 C3 UFX A 250 1.834 17.191 22.858 1.00 0.00 C +ATOM 2992 O1 UFX A 250 2.560 16.323 23.631 1.00 0.00 O +ATOM 2993 H1 UFX A 250 1.560 15.774 20.577 1.00 0.00 H +ATOM 2994 H2 UFX A 250 1.668 14.650 22.032 1.00 0.00 H +ATOM 2995 H3 UFX A 250 0.142 14.769 21.135 1.00 0.00 H +ATOM 2996 H4 UFX A 250 0.010 17.187 21.655 1.00 0.00 H +ATOM 2997 H5 UFX A 250 -0.028 16.188 23.138 1.00 0.00 H +ATOM 2998 H6 UFX A 250 1.540 18.137 23.323 1.00 0.00 H +ATOM 2999 H7 UFX A 250 2.456 17.444 21.969 1.00 0.00 H +ATOM 3000 H8 UFX A 250 2.319 16.326 24.606 1.00 0.00 H +ATOM 3001 C1 UFX A 251 29.847 19.542 22.692 1.00 0.00 C +ATOM 3002 C2 UFX A 251 30.556 18.592 21.743 1.00 0.00 C +ATOM 3003 C3 UFX A 251 30.997 19.397 20.517 1.00 0.00 C +ATOM 3004 O1 UFX A 251 29.923 19.963 19.879 1.00 0.00 O +ATOM 3005 H1 UFX A 251 30.616 20.240 23.053 1.00 0.00 H +ATOM 3006 H2 UFX A 251 29.005 20.051 22.182 1.00 0.00 H +ATOM 3007 H3 UFX A 251 29.409 18.950 23.513 1.00 0.00 H +ATOM 3008 H4 UFX A 251 31.400 18.158 22.271 1.00 0.00 H +ATOM 3009 H5 UFX A 251 29.885 17.800 21.391 1.00 0.00 H +ATOM 3010 H6 UFX A 251 31.659 18.774 19.909 1.00 0.00 H +ATOM 3011 H7 UFX A 251 31.616 20.229 20.924 1.00 0.00 H +ATOM 3012 H8 UFX A 251 29.519 19.397 19.154 1.00 0.00 H +ATOM 3013 C1 UFX A 252 21.127 21.416 5.181 1.00 0.00 C +ATOM 3014 C2 UFX A 252 21.614 20.083 5.720 1.00 0.00 C +ATOM 3015 C3 UFX A 252 22.928 20.331 6.466 1.00 0.00 C +ATOM 3016 O1 UFX A 252 23.880 20.862 5.634 1.00 0.00 O +ATOM 3017 H1 UFX A 252 20.863 22.021 6.060 1.00 0.00 H +ATOM 3018 H2 UFX A 252 21.903 21.889 4.546 1.00 0.00 H +ATOM 3019 H3 UFX A 252 20.255 21.231 4.531 1.00 0.00 H +ATOM 3020 H4 UFX A 252 20.843 19.684 6.374 1.00 0.00 H +ATOM 3021 H5 UFX A 252 21.824 19.374 4.911 1.00 0.00 H +ATOM 3022 H6 UFX A 252 23.200 19.421 7.008 1.00 0.00 H +ATOM 3023 H7 UFX A 252 22.687 21.105 7.229 1.00 0.00 H +ATOM 3024 H8 UFX A 252 24.462 20.184 5.175 1.00 0.00 H +ATOM 3025 C1 UFX A 253 19.723 14.210 11.376 1.00 0.00 C +ATOM 3026 C2 UFX A 253 19.102 15.432 12.028 1.00 0.00 C +ATOM 3027 C3 UFX A 253 20.232 16.408 12.368 1.00 0.00 C +ATOM 3028 O1 UFX A 253 21.137 15.842 13.229 1.00 0.00 O +ATOM 3029 H1 UFX A 253 20.124 14.552 10.411 1.00 0.00 H +ATOM 3030 H2 UFX A 253 20.497 13.765 12.033 1.00 0.00 H +ATOM 3031 H3 UFX A 253 18.937 13.446 11.249 1.00 0.00 H +ATOM 3032 H4 UFX A 253 18.390 15.861 11.328 1.00 0.00 H +ATOM 3033 H5 UFX A 253 18.597 15.175 12.966 1.00 0.00 H +ATOM 3034 H6 UFX A 253 19.792 17.361 12.674 1.00 0.00 H +ATOM 3035 H7 UFX A 253 20.760 16.587 11.404 1.00 0.00 H +ATOM 3036 H8 UFX A 253 20.940 15.991 14.203 1.00 0.00 H +ATOM 3037 C1 UFX A 254 22.792 13.108 12.142 1.00 0.00 C +ATOM 3038 C2 UFX A 254 24.139 12.407 12.169 1.00 0.00 C +ATOM 3039 C3 UFX A 254 23.886 10.919 12.426 1.00 0.00 C +ATOM 3040 O1 UFX A 254 23.245 10.721 13.621 1.00 0.00 O +ATOM 3041 H1 UFX A 254 22.273 12.733 11.248 1.00 0.00 H +ATOM 3042 H2 UFX A 254 22.233 12.919 13.079 1.00 0.00 H +ATOM 3043 H3 UFX A 254 22.968 14.196 12.091 1.00 0.00 H +ATOM 3044 H4 UFX A 254 24.626 12.578 11.213 1.00 0.00 H +ATOM 3045 H5 UFX A 254 24.770 12.778 12.984 1.00 0.00 H +ATOM 3046 H6 UFX A 254 24.822 10.373 12.274 1.00 0.00 H +ATOM 3047 H7 UFX A 254 23.188 10.599 11.619 1.00 0.00 H +ATOM 3048 H8 UFX A 254 23.855 10.583 14.408 1.00 0.00 H +ATOM 3049 C1 UFX A 255 13.702 13.095 3.763 1.00 0.00 C +ATOM 3050 C2 UFX A 255 12.340 12.886 4.401 1.00 0.00 C +ATOM 3051 C3 UFX A 255 12.100 11.378 4.509 1.00 0.00 C +ATOM 3052 O1 UFX A 255 12.123 10.780 3.276 1.00 0.00 O +ATOM 3053 H1 UFX A 255 14.438 12.726 4.492 1.00 0.00 H +ATOM 3054 H2 UFX A 255 13.762 12.575 2.786 1.00 0.00 H +ATOM 3055 H3 UFX A 255 13.829 14.171 3.558 1.00 0.00 H +ATOM 3056 H4 UFX A 255 12.348 13.369 5.374 1.00 0.00 H +ATOM 3057 H5 UFX A 255 11.538 13.302 3.781 1.00 0.00 H +ATOM 3058 H6 UFX A 255 11.210 11.208 5.122 1.00 0.00 H +ATOM 3059 H7 UFX A 255 12.971 10.986 5.083 1.00 0.00 H +ATOM 3060 H8 UFX A 255 11.229 10.721 2.820 1.00 0.00 H +ATOM 3061 C1 UFX A 256 27.639 8.632 25.201 1.00 0.00 C +ATOM 3062 C2 UFX A 256 26.914 7.355 25.586 1.00 0.00 C +ATOM 3063 C3 UFX A 256 26.357 6.728 24.305 1.00 0.00 C +ATOM 3064 O1 UFX A 256 25.483 7.576 23.675 1.00 0.00 O +ATOM 3065 H1 UFX A 256 28.515 8.319 24.614 1.00 0.00 H +ATOM 3066 H2 UFX A 256 26.965 9.312 24.643 1.00 0.00 H +ATOM 3067 H3 UFX A 256 27.929 9.160 26.125 1.00 0.00 H +ATOM 3068 H4 UFX A 256 27.626 6.701 26.083 1.00 0.00 H +ATOM 3069 H5 UFX A 256 26.065 7.557 26.248 1.00 0.00 H +ATOM 3070 H6 UFX A 256 25.988 5.725 24.537 1.00 0.00 H +ATOM 3071 H7 UFX A 256 27.238 6.604 23.635 1.00 0.00 H +ATOM 3072 H8 UFX A 256 24.522 7.468 23.947 1.00 0.00 H +TER 3073 UFX A 256 +ENDMDL +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 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+CONECT 2858 2857 2859 2864 2865 +CONECT 2859 2858 2860 2866 2867 +CONECT 2860 2859 2868 +CONECT 2861 2857 +CONECT 2862 2857 +CONECT 2863 2857 +CONECT 2864 2858 +CONECT 2865 2858 +CONECT 2866 2859 +CONECT 2867 2859 +CONECT 2868 2860 +CONECT 2869 2870 2873 2874 2875 +CONECT 2870 2869 2871 2876 2877 +CONECT 2871 2870 2872 2878 2879 +CONECT 2872 2871 2880 +CONECT 2873 2869 +CONECT 2874 2869 +CONECT 2875 2869 +CONECT 2876 2870 +CONECT 2877 2870 +CONECT 2878 2871 +CONECT 2879 2871 +CONECT 2880 2872 +CONECT 2881 2882 2885 2886 2887 +CONECT 2882 2881 2883 2888 2889 +CONECT 2883 2882 2884 2890 2891 +CONECT 2884 2883 2892 +CONECT 2885 2881 +CONECT 2886 2881 +CONECT 2887 2881 +CONECT 2888 2882 +CONECT 2889 2882 +CONECT 2890 2883 +CONECT 2891 2883 +CONECT 2892 2884 +CONECT 2893 2894 2897 2898 2899 +CONECT 2894 2893 2895 2900 2901 +CONECT 2895 2894 2896 2902 2903 +CONECT 2896 2895 2904 +CONECT 2897 2893 +CONECT 2898 2893 +CONECT 2899 2893 +CONECT 2900 2894 +CONECT 2901 2894 +CONECT 2902 2895 +CONECT 2903 2895 +CONECT 2904 2896 +CONECT 2905 2906 2909 2910 2911 +CONECT 2906 2905 2907 2912 2913 +CONECT 2907 2906 2908 2914 2915 +CONECT 2908 2907 2916 +CONECT 2909 2905 +CONECT 2910 2905 +CONECT 2911 2905 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2907 +CONECT 2916 2908 +CONECT 2917 2918 2921 2922 2923 +CONECT 2918 2917 2919 2924 2925 +CONECT 2919 2918 2920 2926 2927 +CONECT 2920 2919 2928 +CONECT 2921 2917 +CONECT 2922 2917 +CONECT 2923 2917 +CONECT 2924 2918 +CONECT 2925 2918 +CONECT 2926 2919 +CONECT 2927 2919 +CONECT 2928 2920 +CONECT 2929 2930 2933 2934 2935 +CONECT 2930 2929 2931 2936 2937 +CONECT 2931 2930 2932 2938 2939 +CONECT 2932 2931 2940 +CONECT 2933 2929 +CONECT 2934 2929 +CONECT 2935 2929 +CONECT 2936 2930 +CONECT 2937 2930 +CONECT 2938 2931 +CONECT 2939 2931 +CONECT 2940 2932 +CONECT 2941 2942 2945 2946 2947 +CONECT 2942 2941 2943 2948 2949 +CONECT 2943 2942 2944 2950 2951 +CONECT 2944 2943 2952 +CONECT 2945 2941 +CONECT 2946 2941 +CONECT 2947 2941 +CONECT 2948 2942 +CONECT 2949 2942 +CONECT 2950 2943 +CONECT 2951 2943 +CONECT 2952 2944 +CONECT 2953 2954 2957 2958 2959 +CONECT 2954 2953 2955 2960 2961 +CONECT 2955 2954 2956 2962 2963 +CONECT 2956 2955 2964 +CONECT 2957 2953 +CONECT 2958 2953 +CONECT 2959 2953 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2955 +CONECT 2963 2955 +CONECT 2964 2956 +CONECT 2965 2966 2969 2970 2971 +CONECT 2966 2965 2967 2972 2973 +CONECT 2967 2966 2968 2974 2975 +CONECT 2968 2967 2976 +CONECT 2969 2965 +CONECT 2970 2965 +CONECT 2971 2965 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2967 +CONECT 2975 2967 +CONECT 2976 2968 +CONECT 2977 2978 2981 2982 2983 +CONECT 2978 2977 2979 2984 2985 +CONECT 2979 2978 2980 2986 2987 +CONECT 2980 2979 2988 +CONECT 2981 2977 +CONECT 2982 2977 +CONECT 2983 2977 +CONECT 2984 2978 +CONECT 2985 2978 +CONECT 2986 2979 +CONECT 2987 2979 +CONECT 2988 2980 +CONECT 2989 2990 2993 2994 2995 +CONECT 2990 2989 2991 2996 2997 +CONECT 2991 2990 2992 2998 2999 +CONECT 2992 2991 3000 +CONECT 2993 2989 +CONECT 2994 2989 +CONECT 2995 2989 +CONECT 2996 2990 +CONECT 2997 2990 +CONECT 2998 2991 +CONECT 2999 2991 +CONECT 3000 2992 +CONECT 3001 3002 3005 3006 3007 +CONECT 3002 3001 3003 3008 3009 +CONECT 3003 3002 3004 3010 3011 +CONECT 3004 3003 3012 +CONECT 3005 3001 +CONECT 3006 3001 +CONECT 3007 3001 +CONECT 3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/1|build_coordinates_component_1_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/1|build_coordinates_component_1_output.json new file mode 100644 index 00000000..e4a970e7 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/1|build_coordinates_component_1_output.json @@ -0,0 +1 @@ +{".output_number_of_molecules": 256, ".output_substance": {"components": [{"smiles": "O", "role": {"value": "solv", "@type": "openff.evaluator.substances.components.Component.Role"}, "@type": "openff.evaluator.substances.components.Component"}], "amounts": {"O{solv}": [{"value": 1.0, "@type": "openff.evaluator.substances.amounts.MoleFraction"}]}, "@type": "openff.evaluator.substances.substances.Substance"}, ".assigned_residue_names": {"O{solv}": "HOH"}, ".coordinate_file_path": "1_build_coordinates_component_1/output.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/output.pdb new file mode 100644 index 00000000..5f8a90b7 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_component_1/output.pdb @@ -0,0 +1,774 @@ +REMARK 1 CREATED WITH MDTraj 1.10.2, 2025-01-20 +CRYST1 24.056 24.056 24.056 90.00 90.00 90.00 P 1 1 +MODEL 0 +ATOM 1 O HOH A 1 7.256 7.239 8.805 1.00 0.00 O +ATOM 2 H1 HOH A 1 7.581 6.470 8.293 1.00 0.00 H +ATOM 3 H2 HOH A 1 6.320 7.451 8.594 1.00 0.00 H +ATOM 4 O HOH A 2 3.972 14.882 5.026 1.00 0.00 O +ATOM 5 H1 HOH A 2 3.729 14.271 4.300 1.00 0.00 H +ATOM 6 H2 HOH A 2 3.207 15.421 5.323 1.00 0.00 H +ATOM 7 O HOH A 3 3.934 15.791 21.026 1.00 0.00 O +ATOM 8 H1 HOH A 3 3.082 16.237 21.210 1.00 0.00 H +ATOM 9 H2 HOH A 3 3.892 15.243 20.212 1.00 0.00 H +ATOM 10 O HOH A 4 3.844 15.175 16.670 1.00 0.00 O +ATOM 11 H1 HOH A 4 2.867 15.226 16.626 1.00 0.00 H +ATOM 12 H2 HOH A 4 4.270 15.690 15.950 1.00 0.00 H +ATOM 13 O HOH A 5 8.879 19.588 4.789 1.00 0.00 O +ATOM 14 H1 HOH A 5 9.821 19.760 4.584 1.00 0.00 H +ATOM 15 H2 HOH A 5 8.758 18.741 5.272 1.00 0.00 H +ATOM 16 O HOH A 6 10.073 17.778 0.486 1.00 0.00 O +ATOM 17 H1 HOH A 6 10.577 17.240 1.131 1.00 0.00 H +ATOM 18 H2 HOH A 6 9.399 17.244 0.011 1.00 0.00 H +ATOM 19 O HOH A 7 14.524 4.325 14.418 1.00 0.00 O +ATOM 20 H1 HOH A 7 14.807 3.626 13.793 1.00 0.00 H +ATOM 21 H2 HOH A 7 15.173 5.061 14.461 1.00 0.00 H +ATOM 22 O HOH A 8 17.692 17.606 12.567 1.00 0.00 O +ATOM 23 H1 HOH A 8 17.646 17.340 11.626 1.00 0.00 H +ATOM 24 H2 HOH A 8 18.008 16.873 13.139 1.00 0.00 H +ATOM 25 O HOH A 9 4.719 20.818 6.780 1.00 0.00 O +ATOM 26 H1 HOH A 9 5.556 21.012 6.310 1.00 0.00 H +ATOM 27 H2 HOH A 9 4.515 19.857 6.785 1.00 0.00 H +ATOM 28 O HOH A 10 21.757 9.088 5.554 1.00 0.00 O +ATOM 29 H1 HOH A 10 21.890 8.398 4.870 1.00 0.00 H +ATOM 30 H2 HOH A 10 21.706 9.987 5.162 1.00 0.00 H +ATOM 31 O HOH A 11 18.954 21.553 17.182 1.00 0.00 O +ATOM 32 H1 HOH A 11 18.227 22.141 17.474 1.00 0.00 H +ATOM 33 H2 HOH A 11 19.793 21.747 17.652 1.00 0.00 H +ATOM 34 O HOH A 12 12.158 9.908 4.308 1.00 0.00 O +ATOM 35 H1 HOH A 12 12.205 10.376 5.167 1.00 0.00 H +ATOM 36 H2 HOH A 12 11.937 10.518 3.571 1.00 0.00 H +ATOM 37 O HOH A 13 10.667 17.475 3.981 1.00 0.00 O +ATOM 38 H1 HOH A 13 9.708 17.289 3.919 1.00 0.00 H +ATOM 39 H2 HOH A 13 10.908 17.870 4.847 1.00 0.00 H +ATOM 40 O HOH A 14 5.900 9.204 10.155 1.00 0.00 O +ATOM 41 H1 HOH A 14 6.007 10.050 10.635 1.00 0.00 H +ATOM 42 H2 HOH A 14 5.040 8.775 10.356 1.00 0.00 H +ATOM 43 O HOH A 15 16.492 0.751 17.131 1.00 0.00 O +ATOM 44 H1 HOH A 15 16.737 0.434 16.238 1.00 0.00 H +ATOM 45 H2 HOH A 15 16.342 0.007 17.755 1.00 0.00 H +ATOM 46 O HOH A 16 14.587 19.429 0.785 1.00 0.00 O +ATOM 47 H1 HOH A 16 14.444 20.341 1.111 1.00 0.00 H +ATOM 48 H2 HOH A 16 14.394 18.759 1.476 1.00 0.00 H +ATOM 49 O HOH A 17 18.714 17.750 21.682 1.00 0.00 O +ATOM 50 H1 HOH A 17 19.630 17.467 21.485 1.00 0.00 H +ATOM 51 H2 HOH A 17 18.423 18.482 21.097 1.00 0.00 H +ATOM 52 O HOH A 18 15.586 1.532 5.423 1.00 0.00 O +ATOM 53 H1 HOH A 18 15.648 0.632 5.043 1.00 0.00 H +ATOM 54 H2 HOH A 18 14.724 1.957 5.222 1.00 0.00 H +ATOM 55 O HOH A 19 15.703 3.083 21.155 1.00 0.00 O +ATOM 56 H1 HOH A 19 15.672 2.105 21.157 1.00 0.00 H +ATOM 57 H2 HOH A 19 14.814 3.477 21.019 1.00 0.00 H +ATOM 58 O HOH A 20 11.945 1.553 3.252 1.00 0.00 O +ATOM 59 H1 HOH A 20 11.381 0.913 2.771 1.00 0.00 H +ATOM 60 H2 HOH A 20 11.625 1.709 4.166 1.00 0.00 H +ATOM 61 O HOH A 21 18.887 11.644 4.124 1.00 0.00 O +ATOM 62 H1 HOH A 21 18.349 12.214 3.538 1.00 0.00 H +ATOM 63 H2 HOH A 21 19.418 12.170 4.760 1.00 0.00 H +ATOM 64 O HOH A 22 19.774 6.799 5.369 1.00 0.00 O +ATOM 65 H1 HOH A 22 20.307 6.807 4.547 1.00 0.00 H +ATOM 66 H2 HOH A 22 20.331 6.922 6.168 1.00 0.00 H +ATOM 67 O HOH A 23 16.011 8.091 14.363 1.00 0.00 O +ATOM 68 H1 HOH A 23 15.983 7.113 14.328 1.00 0.00 H +ATOM 69 H2 HOH A 23 15.111 8.484 14.348 1.00 0.00 H +ATOM 70 O HOH A 24 3.365 6.035 1.577 1.00 0.00 O +ATOM 71 H1 HOH A 24 2.935 5.155 1.576 1.00 0.00 H +ATOM 72 H2 HOH A 24 2.724 6.756 1.759 1.00 0.00 H +ATOM 73 O HOH A 25 5.040 20.838 1.317 1.00 0.00 O +ATOM 74 H1 HOH A 25 5.573 20.656 2.118 1.00 0.00 H +ATOM 75 H2 HOH A 25 4.531 21.674 1.397 1.00 0.00 H +ATOM 76 O HOH A 26 21.009 17.187 8.545 1.00 0.00 O +ATOM 77 H1 HOH A 26 20.070 17.391 8.736 1.00 0.00 H +ATOM 78 H2 HOH A 26 21.184 16.221 8.559 1.00 0.00 H +ATOM 79 O HOH A 27 8.483 11.434 16.106 1.00 0.00 O +ATOM 80 H1 HOH A 27 8.350 11.430 17.076 1.00 0.00 H +ATOM 81 H2 HOH A 27 7.802 11.972 15.646 1.00 0.00 H +ATOM 82 O HOH A 28 13.194 18.591 16.929 1.00 0.00 O +ATOM 83 H1 HOH A 28 12.265 18.402 17.175 1.00 0.00 H +ATOM 84 H2 HOH A 28 13.808 18.454 17.683 1.00 0.00 H +ATOM 85 O HOH A 29 16.210 20.340 11.567 1.00 0.00 O +ATOM 86 H1 HOH A 29 15.959 19.405 11.714 1.00 0.00 H +ATOM 87 H2 HOH A 29 16.162 20.867 12.394 1.00 0.00 H +ATOM 88 O HOH A 30 14.453 2.463 9.605 1.00 0.00 O +ATOM 89 H1 HOH A 30 14.908 3.298 9.840 1.00 0.00 H +ATOM 90 H2 HOH A 30 13.478 2.573 9.571 1.00 0.00 H +ATOM 91 O HOH A 31 5.352 14.716 7.501 1.00 0.00 O +ATOM 92 H1 HOH A 31 5.261 13.748 7.383 1.00 0.00 H +ATOM 93 H2 HOH A 31 6.241 15.036 7.234 1.00 0.00 H +ATOM 94 O HOH A 32 20.106 19.674 18.242 1.00 0.00 O +ATOM 95 H1 HOH A 32 21.036 19.450 18.032 1.00 0.00 H +ATOM 96 H2 HOH A 32 19.582 18.878 18.478 1.00 0.00 H +ATOM 97 O HOH A 33 3.546 21.193 17.852 1.00 0.00 O +ATOM 98 H1 HOH A 33 4.150 21.326 18.611 1.00 0.00 H +ATOM 99 H2 HOH A 33 3.990 20.732 17.107 1.00 0.00 H +ATOM 100 O HOH A 34 2.879 19.526 15.189 1.00 0.00 O +ATOM 101 H1 HOH A 34 2.854 19.093 14.311 1.00 0.00 H +ATOM 102 H2 HOH A 34 2.186 19.175 15.790 1.00 0.00 H +ATOM 103 O HOH A 35 14.008 3.297 0.596 1.00 0.00 O +ATOM 104 H1 HOH A 35 14.004 4.167 0.147 1.00 0.00 H +ATOM 105 H2 HOH A 35 14.919 2.953 0.722 1.00 0.00 H +ATOM 106 O HOH A 36 14.203 1.551 18.325 1.00 0.00 O +ATOM 107 H1 HOH A 36 15.081 1.983 18.346 1.00 0.00 H +ATOM 108 H2 HOH A 36 14.261 0.617 18.027 1.00 0.00 H +ATOM 109 O HOH A 37 1.834 2.430 8.235 1.00 0.00 O +ATOM 110 H1 HOH A 37 1.727 1.744 7.544 1.00 0.00 H +ATOM 111 H2 HOH A 37 1.658 3.331 7.888 1.00 0.00 H +ATOM 112 O HOH A 38 7.454 12.152 1.323 1.00 0.00 O +ATOM 113 H1 HOH A 38 7.667 13.106 1.265 1.00 0.00 H +ATOM 114 H2 HOH A 38 8.224 11.589 1.091 1.00 0.00 H +ATOM 115 O HOH A 39 10.095 6.209 17.443 1.00 0.00 O +ATOM 116 H1 HOH A 39 10.951 6.090 17.903 1.00 0.00 H +ATOM 117 H2 HOH A 39 10.153 5.968 16.493 1.00 0.00 H +ATOM 118 O HOH A 40 14.921 13.675 20.406 1.00 0.00 O +ATOM 119 H1 HOH A 40 14.873 13.571 21.379 1.00 0.00 H +ATOM 120 H2 HOH A 40 14.585 12.880 19.936 1.00 0.00 H +ATOM 121 O HOH A 41 4.923 6.502 14.461 1.00 0.00 O +ATOM 122 H1 HOH A 41 5.901 6.460 14.500 1.00 0.00 H +ATOM 123 H2 HOH A 41 4.517 5.609 14.475 1.00 0.00 H +ATOM 124 O HOH A 42 9.201 19.473 17.817 1.00 0.00 O +ATOM 125 H1 HOH A 42 9.733 19.561 18.634 1.00 0.00 H +ATOM 126 H2 HOH A 42 9.352 18.610 17.373 1.00 0.00 H +ATOM 127 O HOH A 43 5.775 9.545 13.580 1.00 0.00 O +ATOM 128 H1 HOH A 43 5.435 9.468 12.665 1.00 0.00 H +ATOM 129 H2 HOH A 43 5.800 8.676 14.036 1.00 0.00 H +ATOM 130 O HOH A 44 18.612 9.880 18.330 1.00 0.00 O +ATOM 131 H1 HOH A 44 17.688 9.559 18.378 1.00 0.00 H +ATOM 132 H2 HOH A 44 18.660 10.860 18.345 1.00 0.00 H +ATOM 133 O HOH A 45 12.532 3.224 17.594 1.00 0.00 O +ATOM 134 H1 HOH A 45 13.403 3.564 17.888 1.00 0.00 H +ATOM 135 H2 HOH A 45 12.210 2.497 18.169 1.00 0.00 H +ATOM 136 O HOH A 46 9.865 9.867 13.612 1.00 0.00 O +ATOM 137 H1 HOH A 46 10.387 10.147 14.391 1.00 0.00 H +ATOM 138 H2 HOH A 46 10.126 8.974 13.297 1.00 0.00 H +ATOM 139 O HOH A 47 1.969 12.942 17.761 1.00 0.00 O +ATOM 140 H1 HOH A 47 2.802 12.788 18.254 1.00 0.00 H +ATOM 141 H2 HOH A 47 2.136 13.158 16.818 1.00 0.00 H +ATOM 142 O HOH A 48 2.996 16.888 7.384 1.00 0.00 O +ATOM 143 H1 HOH A 48 3.564 16.406 8.020 1.00 0.00 H +ATOM 144 H2 HOH A 48 3.233 17.839 7.329 1.00 0.00 H +ATOM 145 O HOH A 49 20.003 10.799 6.424 1.00 0.00 O +ATOM 146 H1 HOH A 49 19.091 11.078 6.649 1.00 0.00 H +ATOM 147 H2 HOH A 49 20.675 11.392 6.824 1.00 0.00 H +ATOM 148 O HOH A 50 8.296 21.585 2.608 1.00 0.00 O +ATOM 149 H1 HOH A 50 7.762 22.055 3.280 1.00 0.00 H +ATOM 150 H2 HOH A 50 7.750 20.971 2.070 1.00 0.00 H +ATOM 151 O HOH A 51 4.176 3.499 15.453 1.00 0.00 O +ATOM 152 H1 HOH A 51 3.725 3.322 14.601 1.00 0.00 H +ATOM 153 H2 HOH A 51 5.146 3.596 15.340 1.00 0.00 H +ATOM 154 O HOH A 52 20.086 1.753 7.618 1.00 0.00 O +ATOM 155 H1 HOH A 52 20.786 1.218 7.191 1.00 0.00 H +ATOM 156 H2 HOH A 52 19.707 2.418 7.003 1.00 0.00 H +ATOM 157 O HOH A 53 11.108 13.755 4.950 1.00 0.00 O +ATOM 158 H1 HOH A 53 11.988 14.169 5.069 1.00 0.00 H +ATOM 159 H2 HOH A 53 11.167 12.901 4.469 1.00 0.00 H +ATOM 160 O HOH A 54 8.117 4.480 7.139 1.00 0.00 O +ATOM 161 H1 HOH A 54 8.175 3.513 7.286 1.00 0.00 H +ATOM 162 H2 HOH A 54 8.701 4.775 6.406 1.00 0.00 H +ATOM 163 O HOH A 55 9.595 14.999 2.012 1.00 0.00 O +ATOM 164 H1 HOH A 55 9.101 15.237 2.824 1.00 0.00 H +ATOM 165 H2 HOH A 55 10.550 15.214 2.089 1.00 0.00 H +ATOM 166 O HOH A 56 4.525 16.357 2.176 1.00 0.00 O +ATOM 167 H1 HOH A 56 5.488 16.516 2.255 1.00 0.00 H +ATOM 168 H2 HOH A 56 4.179 16.633 1.300 1.00 0.00 H +ATOM 169 O HOH A 57 0.001 8.657 18.692 1.00 0.00 O +ATOM 170 H1 HOH A 57 0.477 9.190 18.023 1.00 0.00 H +ATOM 171 H2 HOH A 57 0.373 8.780 19.592 1.00 0.00 H +ATOM 172 O HOH A 58 12.187 12.956 11.708 1.00 0.00 O +ATOM 173 H1 HOH A 58 12.994 12.407 11.790 1.00 0.00 H +ATOM 174 H2 HOH A 58 12.201 13.509 10.896 1.00 0.00 H +ATOM 175 O HOH A 59 20.255 5.167 13.421 1.00 0.00 O +ATOM 176 H1 HOH A 59 20.078 4.225 13.620 1.00 0.00 H +ATOM 177 H2 HOH A 59 21.217 5.353 13.355 1.00 0.00 H +ATOM 178 O HOH A 60 8.549 0.946 19.546 1.00 0.00 O +ATOM 179 H1 HOH A 60 9.510 1.130 19.577 1.00 0.00 H +ATOM 180 H2 HOH A 60 8.016 1.760 19.681 1.00 0.00 H +ATOM 181 O HOH A 61 8.129 21.435 7.267 1.00 0.00 O +ATOM 182 H1 HOH A 61 7.400 20.840 7.538 1.00 0.00 H +ATOM 183 H2 HOH A 61 8.974 21.205 7.712 1.00 0.00 H +ATOM 184 O HOH A 62 18.234 5.000 4.249 1.00 0.00 O +ATOM 185 H1 HOH A 62 18.533 4.202 3.767 1.00 0.00 H +ATOM 186 H2 HOH A 62 17.264 4.995 4.400 1.00 0.00 H +ATOM 187 O HOH A 63 18.556 6.303 2.425 1.00 0.00 O +ATOM 188 H1 HOH A 63 17.673 5.948 2.196 1.00 0.00 H +ATOM 189 H2 HOH A 63 19.275 5.680 2.184 1.00 0.00 H +ATOM 190 O HOH A 64 13.400 3.954 6.845 1.00 0.00 O +ATOM 191 H1 HOH A 64 13.797 3.794 7.726 1.00 0.00 H +ATOM 192 H2 HOH A 64 12.777 3.240 6.589 1.00 0.00 H +ATOM 193 O HOH A 65 16.725 17.277 9.085 1.00 0.00 O +ATOM 194 H1 HOH A 65 15.852 17.702 9.215 1.00 0.00 H +ATOM 195 H2 HOH A 65 16.877 16.547 9.724 1.00 0.00 H +ATOM 196 O HOH A 66 2.079 4.473 17.985 1.00 0.00 O +ATOM 197 H1 HOH A 66 1.824 4.615 17.050 1.00 0.00 H +ATOM 198 H2 HOH A 66 1.301 4.275 18.550 1.00 0.00 H +ATOM 199 O HOH A 67 3.046 20.742 9.797 1.00 0.00 O +ATOM 200 H1 HOH A 67 2.914 20.947 8.849 1.00 0.00 H +ATOM 201 H2 HOH A 67 2.196 20.563 10.255 1.00 0.00 H +ATOM 202 O HOH A 68 15.183 8.943 1.514 1.00 0.00 O +ATOM 203 H1 HOH A 68 15.804 9.515 2.010 1.00 0.00 H +ATOM 204 H2 HOH A 68 14.280 8.962 1.898 1.00 0.00 H +ATOM 205 O HOH A 69 12.179 16.279 5.678 1.00 0.00 O +ATOM 206 H1 HOH A 69 12.226 16.008 6.617 1.00 0.00 H +ATOM 207 H2 HOH A 69 13.013 16.700 5.375 1.00 0.00 H +ATOM 208 O HOH A 70 16.723 15.182 12.427 1.00 0.00 O +ATOM 209 H1 HOH A 70 17.512 15.021 11.871 1.00 0.00 H +ATOM 210 H2 HOH A 70 16.321 14.344 12.744 1.00 0.00 H +ATOM 211 O HOH A 71 10.241 14.872 13.053 1.00 0.00 O +ATOM 212 H1 HOH A 71 9.862 14.080 13.487 1.00 0.00 H +ATOM 213 H2 HOH A 71 11.017 14.648 12.495 1.00 0.00 H +ATOM 214 O HOH A 72 3.188 5.123 12.039 1.00 0.00 O +ATOM 215 H1 HOH A 72 3.995 5.590 11.741 1.00 0.00 H +ATOM 216 H2 HOH A 72 2.453 5.746 12.229 1.00 0.00 H +ATOM 217 O HOH A 73 4.273 0.282 18.112 1.00 0.00 O +ATOM 218 H1 HOH A 73 5.004 0.611 17.550 1.00 0.00 H +ATOM 219 H2 HOH A 73 4.042 0.918 18.824 1.00 0.00 H +ATOM 220 O HOH A 74 8.395 17.184 1.936 1.00 0.00 O +ATOM 221 H1 HOH A 74 7.573 16.812 1.555 1.00 0.00 H +ATOM 222 H2 HOH A 74 8.222 18.000 2.454 1.00 0.00 H +ATOM 223 O HOH A 75 14.489 12.599 1.370 1.00 0.00 O +ATOM 224 H1 HOH A 75 14.756 12.257 0.492 1.00 0.00 H +ATOM 225 H2 HOH A 75 14.355 13.572 1.358 1.00 0.00 H +ATOM 226 O HOH A 76 19.169 20.941 0.495 1.00 0.00 O +ATOM 227 H1 HOH A 76 20.025 21.045 0.958 1.00 0.00 H +ATOM 228 H2 HOH A 76 18.846 20.014 0.526 1.00 0.00 H +ATOM 229 O HOH A 77 20.449 6.527 17.879 1.00 0.00 O +ATOM 230 H1 HOH A 77 19.507 6.369 17.664 1.00 0.00 H +ATOM 231 H2 HOH A 77 20.996 5.722 17.746 1.00 0.00 H +ATOM 232 O HOH A 78 16.423 11.257 12.910 1.00 0.00 O +ATOM 233 H1 HOH A 78 17.166 10.618 12.910 1.00 0.00 H +ATOM 234 H2 HOH A 78 16.739 12.186 12.869 1.00 0.00 H +ATOM 235 O HOH A 79 12.555 18.921 0.232 1.00 0.00 O +ATOM 236 H1 HOH A 79 11.789 19.529 0.275 1.00 0.00 H +ATOM 237 H2 HOH A 79 12.283 18.003 0.015 1.00 0.00 H +ATOM 238 O HOH A 80 5.967 10.597 8.401 1.00 0.00 O +ATOM 239 H1 HOH A 80 6.293 11.520 8.384 1.00 0.00 H +ATOM 240 H2 HOH A 80 4.986 10.555 8.438 1.00 0.00 H +ATOM 241 O HOH A 81 10.637 6.779 7.511 1.00 0.00 O +ATOM 242 H1 HOH A 81 10.009 7.482 7.776 1.00 0.00 H +ATOM 243 H2 HOH A 81 11.142 6.430 8.277 1.00 0.00 H +ATOM 244 O HOH A 82 14.943 15.593 18.545 1.00 0.00 O +ATOM 245 H1 HOH A 82 14.027 15.844 18.307 1.00 0.00 H +ATOM 246 H2 HOH A 82 15.464 16.365 18.857 1.00 0.00 H +ATOM 247 O HOH A 83 20.449 1.770 18.426 1.00 0.00 O +ATOM 248 H1 HOH A 83 20.502 2.724 18.641 1.00 0.00 H +ATOM 249 H2 HOH A 83 20.099 1.244 19.177 1.00 0.00 H +ATOM 250 O HOH A 84 17.009 18.846 14.255 1.00 0.00 O +ATOM 251 H1 HOH A 84 17.846 18.512 14.639 1.00 0.00 H +ATOM 252 H2 HOH A 84 17.025 19.820 14.133 1.00 0.00 H +ATOM 253 O HOH A 85 9.146 16.097 6.454 1.00 0.00 O +ATOM 254 H1 HOH A 85 8.625 16.273 5.644 1.00 0.00 H +ATOM 255 H2 HOH A 85 8.587 16.116 7.261 1.00 0.00 H +ATOM 256 O HOH A 86 17.814 7.178 16.471 1.00 0.00 O +ATOM 257 H1 HOH A 86 17.034 6.606 16.316 1.00 0.00 H +ATOM 258 H2 HOH A 86 17.562 8.122 16.569 1.00 0.00 H +ATOM 259 O HOH A 87 5.057 17.862 9.138 1.00 0.00 O +ATOM 260 H1 HOH A 87 5.915 17.551 9.494 1.00 0.00 H +ATOM 261 H2 HOH A 87 5.176 18.501 8.402 1.00 0.00 H +ATOM 262 O HOH A 88 5.779 4.617 22.060 1.00 0.00 O +ATOM 263 H1 HOH A 88 6.124 3.836 21.579 1.00 0.00 H +ATOM 264 H2 HOH A 88 4.814 4.734 21.924 1.00 0.00 H +ATOM 265 O HOH A 89 16.647 22.042 21.176 1.00 0.00 O +ATOM 266 H1 HOH A 89 17.003 21.129 21.178 1.00 0.00 H +ATOM 267 H2 HOH A 89 15.665 22.052 21.152 1.00 0.00 H +ATOM 268 O HOH A 90 11.229 7.790 1.972 1.00 0.00 O +ATOM 269 H1 HOH A 90 10.778 7.183 1.350 1.00 0.00 H +ATOM 270 H2 HOH A 90 11.642 7.306 2.720 1.00 0.00 H +ATOM 271 O HOH A 91 20.536 2.283 10.127 1.00 0.00 O +ATOM 272 H1 HOH A 91 21.234 1.599 10.055 1.00 0.00 H +ATOM 273 H2 HOH A 91 20.098 2.267 11.006 1.00 0.00 H +ATOM 274 O HOH A 92 7.771 19.756 0.244 1.00 0.00 O +ATOM 275 H1 HOH A 92 7.145 19.072 0.559 1.00 0.00 H +ATOM 276 H2 HOH A 92 8.644 19.373 0.009 1.00 0.00 H +ATOM 277 O HOH A 93 19.004 0.932 4.284 1.00 0.00 O +ATOM 278 H1 HOH A 93 19.736 1.526 4.547 1.00 0.00 H +ATOM 279 H2 HOH A 93 18.264 0.953 4.930 1.00 0.00 H +ATOM 280 O HOH A 94 12.306 11.391 17.710 1.00 0.00 O +ATOM 281 H1 HOH A 94 12.999 12.006 18.025 1.00 0.00 H +ATOM 282 H2 HOH A 94 12.647 10.475 17.610 1.00 0.00 H +ATOM 283 O HOH A 95 2.910 6.528 4.459 1.00 0.00 O +ATOM 284 H1 HOH A 95 2.680 7.349 3.977 1.00 0.00 H +ATOM 285 H2 HOH A 95 3.832 6.547 4.796 1.00 0.00 H +ATOM 286 O HOH A 96 15.582 22.056 15.163 1.00 0.00 O +ATOM 287 H1 HOH A 96 15.381 21.861 14.225 1.00 0.00 H +ATOM 288 H2 HOH A 96 16.212 21.408 15.546 1.00 0.00 H +ATOM 289 O HOH A 97 13.580 10.052 20.002 1.00 0.00 O +ATOM 290 H1 HOH A 97 13.457 10.236 20.956 1.00 0.00 H +ATOM 291 H2 HOH A 97 13.373 9.118 19.779 1.00 0.00 H +ATOM 292 O HOH A 98 18.179 12.712 10.747 1.00 0.00 O +ATOM 293 H1 HOH A 98 17.330 13.169 10.569 1.00 0.00 H +ATOM 294 H2 HOH A 98 18.818 13.295 11.212 1.00 0.00 H +ATOM 295 O HOH A 99 15.330 9.179 18.370 1.00 0.00 O +ATOM 296 H1 HOH A 99 14.680 9.798 17.978 1.00 0.00 H +ATOM 297 H2 HOH A 99 15.731 8.592 17.692 1.00 0.00 H +ATOM 298 O HOH A 100 7.160 13.781 10.338 1.00 0.00 O +ATOM 299 H1 HOH A 100 7.775 14.398 10.786 1.00 0.00 H +ATOM 300 H2 HOH A 100 7.433 13.599 9.413 1.00 0.00 H +ATOM 301 O HOH A 101 17.145 -0.007 13.869 1.00 0.00 O +ATOM 302 H1 HOH A 101 16.272 0.388 14.070 1.00 0.00 H +ATOM 303 H2 HOH A 101 17.870 0.441 14.358 1.00 0.00 H +ATOM 304 O HOH A 102 11.168 0.864 12.524 1.00 0.00 O +ATOM 305 H1 HOH A 102 11.784 0.189 12.876 1.00 0.00 H +ATOM 306 H2 HOH A 102 11.597 1.435 11.850 1.00 0.00 H +ATOM 307 O HOH A 103 9.362 4.416 18.919 1.00 0.00 O +ATOM 308 H1 HOH A 103 8.818 3.616 18.768 1.00 0.00 H +ATOM 309 H2 HOH A 103 8.809 5.221 19.021 1.00 0.00 H +ATOM 310 O HOH A 104 19.536 4.957 10.996 1.00 0.00 O +ATOM 311 H1 HOH A 104 18.951 4.420 10.422 1.00 0.00 H +ATOM 312 H2 HOH A 104 20.284 4.430 11.351 1.00 0.00 H +ATOM 313 O HOH A 105 7.128 4.599 17.731 1.00 0.00 O +ATOM 314 H1 HOH A 105 6.459 4.412 17.041 1.00 0.00 H +ATOM 315 H2 HOH A 105 6.772 4.455 18.635 1.00 0.00 H +ATOM 316 O HOH A 106 1.309 14.485 19.791 1.00 0.00 O +ATOM 317 H1 HOH A 106 1.884 14.889 19.109 1.00 0.00 H +ATOM 318 H2 HOH A 106 1.828 14.133 20.546 1.00 0.00 H +ATOM 319 O HOH A 107 1.256 19.772 8.006 1.00 0.00 O +ATOM 320 H1 HOH A 107 1.792 19.587 7.207 1.00 0.00 H +ATOM 321 H2 HOH A 107 1.282 19.027 8.645 1.00 0.00 H +ATOM 322 O HOH A 108 17.597 2.706 10.693 1.00 0.00 O +ATOM 323 H1 HOH A 108 16.790 3.198 10.949 1.00 0.00 H +ATOM 324 H2 HOH A 108 17.423 1.745 10.593 1.00 0.00 H +ATOM 325 O HOH A 109 10.134 21.037 15.675 1.00 0.00 O +ATOM 326 H1 HOH A 109 9.482 21.580 16.163 1.00 0.00 H +ATOM 327 H2 HOH A 109 10.035 20.080 15.873 1.00 0.00 H +ATOM 328 O HOH A 110 20.981 7.120 9.238 1.00 0.00 O +ATOM 329 H1 HOH A 110 21.933 6.921 9.116 1.00 0.00 H +ATOM 330 H2 HOH A 110 20.485 6.344 9.577 1.00 0.00 H +ATOM 331 O HOH A 111 19.059 9.713 16.137 1.00 0.00 O +ATOM 332 H1 HOH A 111 19.609 10.358 15.646 1.00 0.00 H +ATOM 333 H2 HOH A 111 19.597 8.977 16.501 1.00 0.00 H +ATOM 334 O HOH A 112 0.678 18.201 19.121 1.00 0.00 O +ATOM 335 H1 HOH A 112 0.633 17.407 18.549 1.00 0.00 H +ATOM 336 H2 HOH A 112 0.005 18.871 18.871 1.00 0.00 H +ATOM 337 O HOH A 113 14.088 4.498 4.824 1.00 0.00 O +ATOM 338 H1 HOH A 113 14.922 4.706 5.293 1.00 0.00 H +ATOM 339 H2 HOH A 113 14.238 3.910 4.052 1.00 0.00 H +ATOM 340 O HOH A 114 12.833 17.613 20.278 1.00 0.00 O +ATOM 341 H1 HOH A 114 13.723 17.251 20.088 1.00 0.00 H +ATOM 342 H2 HOH A 114 12.130 17.130 19.792 1.00 0.00 H +ATOM 343 O HOH A 115 17.741 5.055 14.807 1.00 0.00 O +ATOM 344 H1 HOH A 115 18.333 5.756 14.464 1.00 0.00 H +ATOM 345 H2 HOH A 115 18.205 4.194 14.896 1.00 0.00 H +ATOM 346 O HOH A 116 1.462 22.062 11.990 1.00 0.00 O +ATOM 347 H1 HOH A 116 0.975 21.252 12.244 1.00 0.00 H +ATOM 348 H2 HOH A 116 2.432 21.914 11.966 1.00 0.00 H +ATOM 349 O HOH A 117 13.940 20.236 15.525 1.00 0.00 O +ATOM 350 H1 HOH A 117 13.871 20.911 16.231 1.00 0.00 H +ATOM 351 H2 HOH A 117 13.097 20.136 15.031 1.00 0.00 H +ATOM 352 O HOH A 118 0.001 7.874 8.179 1.00 0.00 O +ATOM 353 H1 HOH A 118 0.022 6.989 7.759 1.00 0.00 H +ATOM 354 H2 HOH A 118 0.690 7.967 8.872 1.00 0.00 H +ATOM 355 O HOH A 119 2.373 8.109 20.418 1.00 0.00 O +ATOM 356 H1 HOH A 119 2.718 7.860 19.536 1.00 0.00 H +ATOM 357 H2 HOH A 119 2.576 9.043 20.640 1.00 0.00 H +ATOM 358 O HOH A 120 19.449 8.208 1.306 1.00 0.00 O +ATOM 359 H1 HOH A 120 19.758 8.898 0.683 1.00 0.00 H +ATOM 360 H2 HOH A 120 20.191 7.821 1.820 1.00 0.00 H +ATOM 361 O HOH A 121 21.881 0.765 15.479 1.00 0.00 O +ATOM 362 H1 HOH A 121 21.265 0.018 15.331 1.00 0.00 H +ATOM 363 H2 HOH A 121 21.420 1.554 15.836 1.00 0.00 H +ATOM 364 O HOH A 122 17.195 11.743 20.826 1.00 0.00 O +ATOM 365 H1 HOH A 122 18.023 11.256 21.016 1.00 0.00 H +ATOM 366 H2 HOH A 122 16.623 11.260 20.192 1.00 0.00 H +ATOM 367 O HOH A 123 16.992 1.924 2.225 1.00 0.00 O +ATOM 368 H1 HOH A 123 16.250 1.295 2.112 1.00 0.00 H +ATOM 369 H2 HOH A 123 16.696 2.857 2.148 1.00 0.00 H +ATOM 370 O HOH A 124 15.298 9.686 11.196 1.00 0.00 O +ATOM 371 H1 HOH A 124 16.004 10.313 10.938 1.00 0.00 H +ATOM 372 H2 HOH A 124 15.289 9.521 12.164 1.00 0.00 H +ATOM 373 O HOH A 125 12.892 6.544 14.168 1.00 0.00 O +ATOM 374 H1 HOH A 125 12.395 7.333 13.868 1.00 0.00 H +ATOM 375 H2 HOH A 125 13.710 6.789 14.652 1.00 0.00 H +ATOM 376 O HOH A 126 16.907 1.250 7.882 1.00 0.00 O +ATOM 377 H1 HOH A 126 16.977 0.296 7.672 1.00 0.00 H +ATOM 378 H2 HOH A 126 16.015 1.606 7.677 1.00 0.00 H +ATOM 379 O HOH A 127 17.165 12.096 15.467 1.00 0.00 O +ATOM 380 H1 HOH A 127 18.079 11.977 15.796 1.00 0.00 H +ATOM 381 H2 HOH A 127 16.756 11.243 15.206 1.00 0.00 H +ATOM 382 O HOH A 128 10.458 3.290 14.140 1.00 0.00 O +ATOM 383 H1 HOH A 128 11.360 2.927 14.025 1.00 0.00 H +ATOM 384 H2 HOH A 128 10.470 4.256 14.316 1.00 0.00 H +ATOM 385 O HOH A 129 7.644 4.740 15.094 1.00 0.00 O +ATOM 386 H1 HOH A 129 8.567 5.064 15.136 1.00 0.00 H +ATOM 387 H2 HOH A 129 7.599 3.760 15.082 1.00 0.00 H +ATOM 388 O HOH A 130 3.301 5.386 20.470 1.00 0.00 O +ATOM 389 H1 HOH A 130 2.342 5.495 20.303 1.00 0.00 H +ATOM 390 H2 HOH A 130 3.733 4.840 19.778 1.00 0.00 H +ATOM 391 O HOH A 131 7.751 6.887 11.876 1.00 0.00 O +ATOM 392 H1 HOH A 131 7.114 6.199 12.160 1.00 0.00 H +ATOM 393 H2 HOH A 131 7.346 7.524 11.248 1.00 0.00 H +ATOM 394 O HOH A 132 4.584 3.386 17.770 1.00 0.00 O +ATOM 395 H1 HOH A 132 5.070 3.016 18.536 1.00 0.00 H +ATOM 396 H2 HOH A 132 3.685 3.000 17.687 1.00 0.00 H +ATOM 397 O HOH A 133 19.383 15.313 4.349 1.00 0.00 O +ATOM 398 H1 HOH A 133 18.411 15.407 4.426 1.00 0.00 H +ATOM 399 H2 HOH A 133 19.670 14.380 4.453 1.00 0.00 H +ATOM 400 O HOH A 134 6.240 13.556 17.001 1.00 0.00 O +ATOM 401 H1 HOH A 134 5.479 13.916 17.500 1.00 0.00 H +ATOM 402 H2 HOH A 134 6.720 12.868 17.510 1.00 0.00 H +ATOM 403 O HOH A 135 21.905 10.814 15.902 1.00 0.00 O +ATOM 404 H1 HOH A 135 21.718 10.538 14.981 1.00 0.00 H +ATOM 405 H2 HOH A 135 21.833 11.786 16.015 1.00 0.00 H +ATOM 406 O HOH A 136 10.020 4.869 12.268 1.00 0.00 O +ATOM 407 H1 HOH A 136 10.912 5.254 12.391 1.00 0.00 H +ATOM 408 H2 HOH A 136 10.059 3.912 12.052 1.00 0.00 H +ATOM 409 O HOH A 137 4.890 9.208 20.833 1.00 0.00 O +ATOM 410 H1 HOH A 137 4.915 8.377 20.315 1.00 0.00 H +ATOM 411 H2 HOH A 137 5.391 9.132 21.673 1.00 0.00 H +ATOM 412 O HOH A 138 4.869 2.474 12.249 1.00 0.00 O +ATOM 413 H1 HOH A 138 4.941 2.385 11.277 1.00 0.00 H +ATOM 414 H2 HOH A 138 4.533 3.358 12.513 1.00 0.00 H +ATOM 415 O HOH A 139 9.990 8.068 10.601 1.00 0.00 O +ATOM 416 H1 HOH A 139 9.182 8.112 10.051 1.00 0.00 H +ATOM 417 H2 HOH A 139 10.797 7.932 10.058 1.00 0.00 H +ATOM 418 O HOH A 140 5.848 5.530 9.826 1.00 0.00 O +ATOM 419 H1 HOH A 140 4.930 5.845 9.693 1.00 0.00 H +ATOM 420 H2 HOH A 140 5.921 4.557 9.723 1.00 0.00 H +ATOM 421 O HOH A 141 5.741 3.813 0.464 1.00 0.00 O +ATOM 422 H1 HOH A 141 4.922 4.135 0.894 1.00 0.00 H +ATOM 423 H2 HOH A 141 6.547 4.181 0.887 1.00 0.00 H +ATOM 424 O HOH A 142 1.011 5.594 10.301 1.00 0.00 O +ATOM 425 H1 HOH A 142 0.040 5.666 10.196 1.00 0.00 H +ATOM 426 H2 HOH A 142 1.421 5.085 9.568 1.00 0.00 H +ATOM 427 O HOH A 143 11.555 11.929 1.118 1.00 0.00 O +ATOM 428 H1 HOH A 143 12.172 11.258 1.475 1.00 0.00 H +ATOM 429 H2 HOH A 143 11.492 12.716 1.702 1.00 0.00 H +ATOM 430 O HOH A 144 15.489 0.943 11.730 1.00 0.00 O +ATOM 431 H1 HOH A 144 14.733 0.427 11.382 1.00 0.00 H +ATOM 432 H2 HOH A 144 16.280 0.380 11.879 1.00 0.00 H +ATOM 433 O HOH A 145 4.912 17.602 11.585 1.00 0.00 O +ATOM 434 H1 HOH A 145 5.162 16.655 11.591 1.00 0.00 H +ATOM 435 H2 HOH A 145 3.938 17.724 11.604 1.00 0.00 H +ATOM 436 O HOH A 146 17.707 4.808 0.163 1.00 0.00 O +ATOM 437 H1 HOH A 146 17.897 4.085 0.797 1.00 0.00 H +ATOM 438 H2 HOH A 146 18.495 5.371 0.003 1.00 0.00 H +ATOM 439 O HOH A 147 19.718 14.237 18.408 1.00 0.00 O +ATOM 440 H1 HOH A 147 20.102 14.491 17.544 1.00 0.00 H +ATOM 441 H2 HOH A 147 20.155 13.441 18.783 1.00 0.00 H +ATOM 442 O HOH A 148 18.443 7.861 21.582 1.00 0.00 O +ATOM 443 H1 HOH A 148 19.272 8.152 22.015 1.00 0.00 H +ATOM 444 H2 HOH A 148 17.647 8.180 22.061 1.00 0.00 H +ATOM 445 O HOH A 149 5.233 8.686 3.738 1.00 0.00 O +ATOM 446 H1 HOH A 149 5.000 9.064 2.865 1.00 0.00 H +ATOM 447 H2 HOH A 149 5.701 9.336 4.306 1.00 0.00 H +ATOM 448 O HOH A 150 21.831 19.684 5.029 1.00 0.00 O +ATOM 449 H1 HOH A 150 21.709 19.152 4.216 1.00 0.00 H +ATOM 450 H2 HOH A 150 21.348 20.538 4.984 1.00 0.00 H +ATOM 451 O HOH A 151 19.772 19.729 12.912 1.00 0.00 O +ATOM 452 H1 HOH A 151 19.920 20.695 12.845 1.00 0.00 H +ATOM 453 H2 HOH A 151 18.826 19.495 12.794 1.00 0.00 H +ATOM 454 O HOH A 152 18.640 12.767 13.817 1.00 0.00 O +ATOM 455 H1 HOH A 152 19.440 12.256 14.058 1.00 0.00 H +ATOM 456 H2 HOH A 152 18.737 13.721 14.031 1.00 0.00 H +ATOM 457 O HOH A 153 20.836 18.415 14.421 1.00 0.00 O +ATOM 458 H1 HOH A 153 21.421 18.705 15.151 1.00 0.00 H +ATOM 459 H2 HOH A 153 21.119 17.552 14.046 1.00 0.00 H +ATOM 460 O HOH A 154 12.730 11.708 9.403 1.00 0.00 O +ATOM 461 H1 HOH A 154 11.766 11.645 9.242 1.00 0.00 H +ATOM 462 H2 HOH A 154 13.067 10.937 9.909 1.00 0.00 H +ATOM 463 O HOH A 155 0.951 4.200 5.848 1.00 0.00 O +ATOM 464 H1 HOH A 155 0.521 3.345 5.643 1.00 0.00 H +ATOM 465 H2 HOH A 155 0.860 4.842 5.110 1.00 0.00 H +ATOM 466 O HOH A 156 9.615 11.722 6.764 1.00 0.00 O +ATOM 467 H1 HOH A 156 9.285 11.065 7.411 1.00 0.00 H +ATOM 468 H2 HOH A 156 9.735 12.608 7.170 1.00 0.00 H +ATOM 469 O HOH A 157 12.574 0.715 16.095 1.00 0.00 O +ATOM 470 H1 HOH A 157 11.725 0.296 15.844 1.00 0.00 H +ATOM 471 H2 HOH A 157 13.306 0.063 16.138 1.00 0.00 H +ATOM 472 O HOH A 158 16.346 20.379 17.601 1.00 0.00 O +ATOM 473 H1 HOH A 158 16.391 21.020 18.340 1.00 0.00 H +ATOM 474 H2 HOH A 158 17.234 20.189 17.227 1.00 0.00 H +ATOM 475 O HOH A 159 17.365 4.803 19.228 1.00 0.00 O +ATOM 476 H1 HOH A 159 18.204 5.297 19.323 1.00 0.00 H +ATOM 477 H2 HOH A 159 16.589 5.341 19.497 1.00 0.00 H +ATOM 478 O HOH A 160 8.511 16.104 18.711 1.00 0.00 O +ATOM 479 H1 HOH A 160 9.038 16.919 18.839 1.00 0.00 H +ATOM 480 H2 HOH A 160 8.844 15.566 17.960 1.00 0.00 H +ATOM 481 O HOH A 161 5.269 20.710 9.766 1.00 0.00 O +ATOM 482 H1 HOH A 161 5.296 19.855 10.243 1.00 0.00 H +ATOM 483 H2 HOH A 161 6.075 21.247 9.928 1.00 0.00 H +ATOM 484 O HOH A 162 9.980 2.137 15.980 1.00 0.00 O +ATOM 485 H1 HOH A 162 10.920 2.340 16.165 1.00 0.00 H +ATOM 486 H2 HOH A 162 9.884 1.383 15.359 1.00 0.00 H +ATOM 487 O HOH A 163 12.194 0.577 9.502 1.00 0.00 O +ATOM 488 H1 HOH A 163 11.425 0.003 9.699 1.00 0.00 H +ATOM 489 H2 HOH A 163 12.937 0.419 10.124 1.00 0.00 H +ATOM 490 O HOH A 164 16.720 7.998 19.563 1.00 0.00 O +ATOM 491 H1 HOH A 164 16.745 8.740 20.202 1.00 0.00 H +ATOM 492 H2 HOH A 164 17.432 7.344 19.732 1.00 0.00 H +ATOM 493 O HOH A 165 12.894 6.797 0.012 1.00 0.00 O +ATOM 494 H1 HOH A 165 12.470 7.679 0.034 1.00 0.00 H +ATOM 495 H2 HOH A 165 13.154 6.493 0.909 1.00 0.00 H +ATOM 496 O HOH A 166 14.000 14.961 16.186 1.00 0.00 O +ATOM 497 H1 HOH A 166 13.419 14.834 15.409 1.00 0.00 H +ATOM 498 H2 HOH A 166 14.051 14.153 16.742 1.00 0.00 H +ATOM 499 O HOH A 167 11.115 4.469 20.253 1.00 0.00 O +ATOM 500 H1 HOH A 167 11.373 3.757 20.874 1.00 0.00 H +ATOM 501 H2 HOH A 167 11.533 4.356 19.372 1.00 0.00 H +ATOM 502 O HOH A 168 5.862 18.037 16.380 1.00 0.00 O +ATOM 503 H1 HOH A 168 6.221 17.127 16.338 1.00 0.00 H +ATOM 504 H2 HOH A 168 6.573 18.706 16.482 1.00 0.00 H +ATOM 505 O HOH A 169 7.166 16.502 13.347 1.00 0.00 O +ATOM 506 H1 HOH A 169 8.116 16.570 13.119 1.00 0.00 H +ATOM 507 H2 HOH A 169 6.727 15.764 12.872 1.00 0.00 H +ATOM 508 O HOH A 170 17.673 2.643 18.748 1.00 0.00 O +ATOM 509 H1 HOH A 170 16.899 2.652 19.347 1.00 0.00 H +ATOM 510 H2 HOH A 170 18.036 1.738 18.630 1.00 0.00 H +ATOM 511 O HOH A 171 7.378 3.524 12.656 1.00 0.00 O +ATOM 512 H1 HOH A 171 8.070 4.140 12.974 1.00 0.00 H +ATOM 513 H2 HOH A 171 6.688 3.987 12.132 1.00 0.00 H +ATOM 514 O HOH A 172 8.734 0.697 12.702 1.00 0.00 O +ATOM 515 H1 HOH A 172 8.688 1.674 12.667 1.00 0.00 H +ATOM 516 H2 HOH A 172 7.842 0.288 12.719 1.00 0.00 H +ATOM 517 O HOH A 173 14.780 20.086 3.891 1.00 0.00 O +ATOM 518 H1 HOH A 173 13.995 19.609 4.231 1.00 0.00 H +ATOM 519 H2 HOH A 173 14.533 20.790 3.253 1.00 0.00 H +ATOM 520 O HOH A 174 3.167 7.592 11.198 1.00 0.00 O +ATOM 521 H1 HOH A 174 2.667 8.324 10.783 1.00 0.00 H +ATOM 522 H2 HOH A 174 3.750 7.910 11.921 1.00 0.00 H +ATOM 523 O HOH A 175 1.666 15.179 9.199 1.00 0.00 O +ATOM 524 H1 HOH A 175 2.543 14.999 9.595 1.00 0.00 H +ATOM 525 H2 HOH A 175 1.605 16.091 8.841 1.00 0.00 H +ATOM 526 O HOH A 176 11.370 14.197 17.827 1.00 0.00 O +ATOM 527 H1 HOH A 176 12.287 14.116 18.161 1.00 0.00 H +ATOM 528 H2 HOH A 176 11.002 15.094 17.981 1.00 0.00 H +ATOM 529 O HOH A 177 6.567 6.303 20.408 1.00 0.00 O +ATOM 530 H1 HOH A 177 7.204 5.755 20.911 1.00 0.00 H +ATOM 531 H2 HOH A 177 5.732 6.444 20.905 1.00 0.00 H +ATOM 532 O HOH A 178 2.789 18.457 17.828 1.00 0.00 O +ATOM 533 H1 HOH A 178 3.755 18.617 17.815 1.00 0.00 H +ATOM 534 H2 HOH A 178 2.286 19.273 18.044 1.00 0.00 H +ATOM 535 O HOH A 179 6.673 19.796 4.843 1.00 0.00 O +ATOM 536 H1 HOH A 179 6.130 18.986 4.753 1.00 0.00 H +ATOM 537 H2 HOH A 179 6.513 20.427 4.108 1.00 0.00 H +ATOM 538 O HOH A 180 8.576 4.678 10.278 1.00 0.00 O +ATOM 539 H1 HOH A 180 8.641 5.655 10.254 1.00 0.00 H +ATOM 540 H2 HOH A 180 8.211 4.315 9.442 1.00 0.00 H +ATOM 541 O HOH A 181 6.194 12.048 19.567 1.00 0.00 O +ATOM 542 H1 HOH A 181 5.458 12.675 19.408 1.00 0.00 H +ATOM 543 H2 HOH A 181 5.884 11.116 19.580 1.00 0.00 H +ATOM 544 O HOH A 182 19.657 19.766 7.499 1.00 0.00 O +ATOM 545 H1 HOH A 182 20.410 19.560 8.090 1.00 0.00 H +ATOM 546 H2 HOH A 182 19.871 20.492 6.873 1.00 0.00 H +ATOM 547 O HOH A 183 20.723 11.321 9.358 1.00 0.00 O +ATOM 548 H1 HOH A 183 19.844 10.890 9.345 1.00 0.00 H +ATOM 549 H2 HOH A 183 21.393 10.772 9.820 1.00 0.00 H +ATOM 550 O HOH A 184 4.208 2.846 21.123 1.00 0.00 O +ATOM 551 H1 HOH A 184 3.650 2.685 21.912 1.00 0.00 H +ATOM 552 H2 HOH A 184 4.716 2.046 20.864 1.00 0.00 H +ATOM 553 O HOH A 185 15.314 6.039 1.443 1.00 0.00 O +ATOM 554 H1 HOH A 185 15.461 5.233 1.980 1.00 0.00 H +ATOM 555 H2 HOH A 185 15.031 6.800 1.994 1.00 0.00 H +ATOM 556 O HOH A 186 20.230 10.708 12.040 1.00 0.00 O +ATOM 557 H1 HOH A 186 20.005 9.772 12.220 1.00 0.00 H +ATOM 558 H2 HOH A 186 21.201 10.853 12.010 1.00 0.00 H +ATOM 559 O HOH A 187 2.103 16.464 12.835 1.00 0.00 O +ATOM 560 H1 HOH A 187 1.814 16.086 13.691 1.00 0.00 H +ATOM 561 H2 HOH A 187 2.726 15.870 12.364 1.00 0.00 H +ATOM 562 O HOH A 188 13.162 11.937 6.386 1.00 0.00 O +ATOM 563 H1 HOH A 188 13.903 11.477 6.831 1.00 0.00 H +ATOM 564 H2 HOH A 188 13.362 12.885 6.227 1.00 0.00 H +ATOM 565 O HOH A 189 6.248 10.223 17.092 1.00 0.00 O +ATOM 566 H1 HOH A 189 6.542 9.290 17.049 1.00 0.00 H +ATOM 567 H2 HOH A 189 5.343 10.305 17.465 1.00 0.00 H +ATOM 568 O HOH A 190 19.777 21.524 15.039 1.00 0.00 O +ATOM 569 H1 HOH A 190 18.879 21.882 14.881 1.00 0.00 H +ATOM 570 H2 HOH A 190 19.760 20.559 15.220 1.00 0.00 H +ATOM 571 O HOH A 191 9.414 10.305 9.985 1.00 0.00 O +ATOM 572 H1 HOH A 191 10.293 10.087 9.612 1.00 0.00 H +ATOM 573 H2 HOH A 191 9.144 11.225 9.772 1.00 0.00 H +ATOM 574 O HOH A 192 0.883 13.519 7.468 1.00 0.00 O +ATOM 575 H1 HOH A 192 -0.000 13.423 7.057 1.00 0.00 H +ATOM 576 H2 HOH A 192 1.306 14.373 7.233 1.00 0.00 H +ATOM 577 O HOH A 193 11.382 8.461 20.760 1.00 0.00 O +ATOM 578 H1 HOH A 193 11.105 8.021 19.930 1.00 0.00 H +ATOM 579 H2 HOH A 193 10.631 8.575 21.382 1.00 0.00 H +ATOM 580 O HOH A 194 14.520 8.217 9.729 1.00 0.00 O +ATOM 581 H1 HOH A 194 13.964 7.971 10.496 1.00 0.00 H +ATOM 582 H2 HOH A 194 14.189 9.025 9.280 1.00 0.00 H +ATOM 583 O HOH A 195 5.710 16.963 5.667 1.00 0.00 O +ATOM 584 H1 HOH A 195 4.805 16.778 5.991 1.00 0.00 H +ATOM 585 H2 HOH A 195 6.340 17.113 6.405 1.00 0.00 H +ATOM 586 O HOH A 196 18.076 8.751 13.931 1.00 0.00 O +ATOM 587 H1 HOH A 196 18.990 8.583 14.241 1.00 0.00 H +ATOM 588 H2 HOH A 196 17.971 8.552 12.975 1.00 0.00 H +ATOM 589 O HOH A 197 18.170 16.863 19.258 1.00 0.00 O +ATOM 590 H1 HOH A 197 18.403 15.978 18.911 1.00 0.00 H +ATOM 591 H2 HOH A 197 17.458 16.817 19.932 1.00 0.00 H +ATOM 592 O HOH A 198 1.725 10.565 19.189 1.00 0.00 O +ATOM 593 H1 HOH A 198 1.192 11.352 19.423 1.00 0.00 H +ATOM 594 H2 HOH A 198 2.686 10.766 19.167 1.00 0.00 H +ATOM 595 O HOH A 199 4.987 6.174 17.300 1.00 0.00 O +ATOM 596 H1 HOH A 199 4.108 6.541 17.069 1.00 0.00 H +ATOM 597 H2 HOH A 199 4.969 5.693 18.155 1.00 0.00 H +ATOM 598 O HOH A 200 3.406 19.358 3.386 1.00 0.00 O +ATOM 599 H1 HOH A 200 3.138 18.485 3.031 1.00 0.00 H +ATOM 600 H2 HOH A 200 4.379 19.425 3.496 1.00 0.00 H +ATOM 601 O HOH A 201 8.445 7.421 14.941 1.00 0.00 O +ATOM 602 H1 HOH A 201 7.917 7.883 14.257 1.00 0.00 H +ATOM 603 H2 HOH A 201 9.394 7.368 14.697 1.00 0.00 H +ATOM 604 O HOH A 202 15.811 17.397 4.285 1.00 0.00 O +ATOM 605 H1 HOH A 202 14.864 17.598 4.432 1.00 0.00 H +ATOM 606 H2 HOH A 202 16.027 16.465 4.506 1.00 0.00 H +ATOM 607 O HOH A 203 11.913 18.745 7.709 1.00 0.00 O +ATOM 608 H1 HOH A 203 11.196 18.077 7.715 1.00 0.00 H +ATOM 609 H2 HOH A 203 12.801 18.329 7.749 1.00 0.00 H +ATOM 610 O HOH A 204 9.700 9.318 17.269 1.00 0.00 O +ATOM 611 H1 HOH A 204 10.283 8.856 17.905 1.00 0.00 H +ATOM 612 H2 HOH A 204 9.191 8.687 16.714 1.00 0.00 H +ATOM 613 O HOH A 205 15.367 22.056 5.669 1.00 0.00 O +ATOM 614 H1 HOH A 205 15.292 21.401 6.393 1.00 0.00 H +ATOM 615 H2 HOH A 205 14.577 22.048 5.085 1.00 0.00 H +ATOM 616 O HOH A 206 21.038 20.326 21.764 1.00 0.00 O +ATOM 617 H1 HOH A 206 20.443 19.567 21.591 1.00 0.00 H +ATOM 618 H2 HOH A 206 20.541 21.126 22.040 1.00 0.00 H +ATOM 619 O HOH A 207 8.202 0.519 10.069 1.00 0.00 O +ATOM 620 H1 HOH A 207 7.501 1.167 9.850 1.00 0.00 H +ATOM 621 H2 HOH A 207 9.099 0.910 9.991 1.00 0.00 H +ATOM 622 O HOH A 208 7.035 15.701 4.261 1.00 0.00 O +ATOM 623 H1 HOH A 208 7.467 16.461 3.820 1.00 0.00 H +ATOM 624 H2 HOH A 208 7.068 14.890 3.707 1.00 0.00 H +ATOM 625 O HOH A 209 11.193 13.841 15.370 1.00 0.00 O +ATOM 626 H1 HOH A 209 10.910 14.766 15.519 1.00 0.00 H +ATOM 627 H2 HOH A 209 10.561 13.197 15.759 1.00 0.00 H +ATOM 628 O HOH A 210 12.614 21.656 8.848 1.00 0.00 O +ATOM 629 H1 HOH A 210 11.898 21.955 8.249 1.00 0.00 H +ATOM 630 H2 HOH A 210 12.260 21.221 9.654 1.00 0.00 H +ATOM 631 O HOH A 211 7.717 13.707 21.130 1.00 0.00 O +ATOM 632 H1 HOH A 211 7.782 14.215 20.295 1.00 0.00 H +ATOM 633 H2 HOH A 211 6.872 13.880 21.598 1.00 0.00 H +ATOM 634 O HOH A 212 7.033 7.202 18.456 1.00 0.00 O +ATOM 635 H1 HOH A 212 6.170 7.664 18.468 1.00 0.00 H +ATOM 636 H2 HOH A 212 7.783 7.828 18.362 1.00 0.00 H +ATOM 637 O HOH A 213 8.256 18.307 7.710 1.00 0.00 O +ATOM 638 H1 HOH A 213 8.924 19.012 7.583 1.00 0.00 H +ATOM 639 H2 HOH A 213 7.341 18.663 7.691 1.00 0.00 H +ATOM 640 O HOH A 214 7.443 19.984 11.239 1.00 0.00 O +ATOM 641 H1 HOH A 214 7.717 19.254 10.647 1.00 0.00 H +ATOM 642 H2 HOH A 214 8.192 20.579 11.459 1.00 0.00 H +ATOM 643 O HOH A 215 21.099 17.921 11.584 1.00 0.00 O +ATOM 644 H1 HOH A 215 20.749 17.010 11.499 1.00 0.00 H +ATOM 645 H2 HOH A 215 20.517 18.579 11.145 1.00 0.00 H +ATOM 646 O HOH A 216 3.695 5.653 7.202 1.00 0.00 O +ATOM 647 H1 HOH A 216 4.356 4.932 7.248 1.00 0.00 H +ATOM 648 H2 HOH A 216 2.830 5.337 6.862 1.00 0.00 H +ATOM 649 O HOH A 217 17.198 18.526 2.216 1.00 0.00 O +ATOM 650 H1 HOH A 217 17.132 17.677 1.733 1.00 0.00 H +ATOM 651 H2 HOH A 217 16.321 18.838 2.531 1.00 0.00 H +ATOM 652 O HOH A 218 13.062 21.195 6.515 1.00 0.00 O +ATOM 653 H1 HOH A 218 13.113 20.219 6.578 1.00 0.00 H +ATOM 654 H2 HOH A 218 12.522 21.484 5.748 1.00 0.00 H +ATOM 655 O HOH A 219 17.183 18.831 18.897 1.00 0.00 O +ATOM 656 H1 HOH A 219 16.968 19.382 19.678 1.00 0.00 H +ATOM 657 H2 HOH A 219 16.390 18.377 18.540 1.00 0.00 H +ATOM 658 O HOH A 220 15.769 7.315 4.794 1.00 0.00 O +ATOM 659 H1 HOH A 220 14.932 7.453 5.284 1.00 0.00 H +ATOM 660 H2 HOH A 220 15.670 6.651 4.078 1.00 0.00 H +ATOM 661 O HOH A 221 7.690 12.997 5.977 1.00 0.00 O +ATOM 662 H1 HOH A 221 8.016 13.813 6.411 1.00 0.00 H +ATOM 663 H2 HOH A 221 7.099 12.480 6.566 1.00 0.00 H +ATOM 664 O HOH A 222 12.960 6.106 19.883 1.00 0.00 O +ATOM 665 H1 HOH A 222 13.360 5.321 20.310 1.00 0.00 H +ATOM 666 H2 HOH A 222 13.446 6.930 20.102 1.00 0.00 H +ATOM 667 O HOH A 223 21.072 7.353 20.949 1.00 0.00 O +ATOM 668 H1 HOH A 223 22.041 7.223 21.006 1.00 0.00 H +ATOM 669 H2 HOH A 223 20.589 6.498 20.934 1.00 0.00 H +ATOM 670 O HOH A 224 3.521 8.987 13.976 1.00 0.00 O +ATOM 671 H1 HOH A 224 3.549 8.758 14.928 1.00 0.00 H +ATOM 672 H2 HOH A 224 3.628 9.951 13.828 1.00 0.00 H +ATOM 673 O HOH A 225 15.477 11.815 17.574 1.00 0.00 O +ATOM 674 H1 HOH A 225 16.289 11.271 17.636 1.00 0.00 H +ATOM 675 H2 HOH A 225 15.574 12.543 16.922 1.00 0.00 H +ATOM 676 O HOH A 226 19.033 -0.007 10.754 1.00 0.00 O +ATOM 677 H1 HOH A 226 19.908 0.088 11.183 1.00 0.00 H +ATOM 678 H2 HOH A 226 19.065 0.227 9.801 1.00 0.00 H +ATOM 679 O HOH A 227 5.376 11.610 5.506 1.00 0.00 O +ATOM 680 H1 HOH A 227 5.778 11.520 4.618 1.00 0.00 H +ATOM 681 H2 HOH A 227 4.402 11.730 5.456 1.00 0.00 H +ATOM 682 O HOH A 228 2.256 14.638 2.313 1.00 0.00 O +ATOM 683 H1 HOH A 228 2.621 15.053 1.504 1.00 0.00 H +ATOM 684 H2 HOH A 228 2.629 13.743 2.465 1.00 0.00 H +ATOM 685 O HOH A 229 19.032 4.077 21.012 1.00 0.00 O +ATOM 686 H1 HOH A 229 18.069 3.993 21.169 1.00 0.00 H +ATOM 687 H2 HOH A 229 19.396 3.296 20.542 1.00 0.00 H +ATOM 688 O HOH A 230 8.549 14.984 15.699 1.00 0.00 O +ATOM 689 H1 HOH A 230 7.991 15.724 15.383 1.00 0.00 H +ATOM 690 H2 HOH A 230 8.026 14.166 15.843 1.00 0.00 H +ATOM 691 O HOH A 231 21.176 9.527 17.933 1.00 0.00 O +ATOM 692 H1 HOH A 231 20.808 10.202 18.540 1.00 0.00 H +ATOM 693 H2 HOH A 231 22.055 9.206 18.231 1.00 0.00 H +ATOM 694 O HOH A 232 0.952 7.859 5.388 1.00 0.00 O +ATOM 695 H1 HOH A 232 1.127 6.956 5.723 1.00 0.00 H +ATOM 696 H2 HOH A 232 0.002 7.995 5.180 1.00 0.00 H +ATOM 697 O HOH A 233 14.201 11.450 3.407 1.00 0.00 O +ATOM 698 H1 HOH A 233 14.866 12.044 3.812 1.00 0.00 H +ATOM 699 H2 HOH A 233 14.228 10.550 3.799 1.00 0.00 H +ATOM 700 O HOH A 234 5.656 17.068 19.601 1.00 0.00 O +ATOM 701 H1 HOH A 234 6.142 16.222 19.685 1.00 0.00 H +ATOM 702 H2 HOH A 234 4.862 16.980 19.030 1.00 0.00 H +ATOM 703 O HOH A 235 1.235 17.609 4.835 1.00 0.00 O +ATOM 704 H1 HOH A 235 0.944 17.222 5.687 1.00 0.00 H +ATOM 705 H2 HOH A 235 2.122 17.283 4.569 1.00 0.00 H +ATOM 706 O HOH A 236 10.783 1.142 0.271 1.00 0.00 O +ATOM 707 H1 HOH A 236 9.807 1.092 0.211 1.00 0.00 H +ATOM 708 H2 HOH A 236 11.167 0.327 0.661 1.00 0.00 H +ATOM 709 O HOH A 237 6.461 19.217 13.587 1.00 0.00 O +ATOM 710 H1 HOH A 237 6.221 18.418 14.100 1.00 0.00 H +ATOM 711 H2 HOH A 237 7.275 19.644 13.933 1.00 0.00 H +ATOM 712 O HOH A 238 3.722 3.891 5.383 1.00 0.00 O +ATOM 713 H1 HOH A 238 3.103 3.419 5.977 1.00 0.00 H +ATOM 714 H2 HOH A 238 3.406 3.896 4.454 1.00 0.00 H +ATOM 715 O HOH A 239 12.188 4.332 10.687 1.00 0.00 O +ATOM 716 H1 HOH A 239 11.623 3.550 10.516 1.00 0.00 H +ATOM 717 H2 HOH A 239 13.049 4.081 11.087 1.00 0.00 H +ATOM 718 O HOH A 240 13.117 0.908 21.017 1.00 0.00 O +ATOM 719 H1 HOH A 240 12.209 0.695 21.315 1.00 0.00 H +ATOM 720 H2 HOH A 240 13.233 1.869 20.853 1.00 0.00 H +ATOM 721 O HOH A 241 6.957 13.174 13.597 1.00 0.00 O +ATOM 722 H1 HOH A 241 7.662 13.854 13.599 1.00 0.00 H +ATOM 723 H2 HOH A 241 6.061 13.575 13.604 1.00 0.00 H +ATOM 724 O HOH A 242 8.000 10.591 12.547 1.00 0.00 O +ATOM 725 H1 HOH A 242 7.597 9.800 12.133 1.00 0.00 H +ATOM 726 H2 HOH A 242 7.540 10.845 13.376 1.00 0.00 H +ATOM 727 O HOH A 243 10.989 3.718 8.186 1.00 0.00 O +ATOM 728 H1 HOH A 243 10.191 4.285 8.164 1.00 0.00 H +ATOM 729 H2 HOH A 243 10.765 2.766 8.101 1.00 0.00 H +ATOM 730 O HOH A 244 21.085 3.718 8.426 1.00 0.00 O +ATOM 731 H1 HOH A 244 20.181 4.091 8.365 1.00 0.00 H +ATOM 732 H2 HOH A 244 21.773 4.418 8.399 1.00 0.00 H +ATOM 733 O HOH A 245 9.790 6.569 21.944 1.00 0.00 O +ATOM 734 H1 HOH A 245 9.208 5.799 21.782 1.00 0.00 H +ATOM 735 H2 HOH A 245 10.724 6.379 21.709 1.00 0.00 H +ATOM 736 O HOH A 246 0.016 19.617 13.762 1.00 0.00 O +ATOM 737 H1 HOH A 246 0.028 20.439 14.295 1.00 0.00 H +ATOM 738 H2 HOH A 246 0.260 18.830 14.297 1.00 0.00 H +ATOM 739 O HOH A 247 10.609 7.896 4.842 1.00 0.00 O +ATOM 740 H1 HOH A 247 11.576 7.852 4.990 1.00 0.00 H +ATOM 741 H2 HOH A 247 10.376 8.545 4.143 1.00 0.00 H +ATOM 742 O HOH A 248 11.615 9.417 11.739 1.00 0.00 O +ATOM 743 H1 HOH A 248 12.106 10.264 11.767 1.00 0.00 H +ATOM 744 H2 HOH A 248 12.220 8.644 11.714 1.00 0.00 H +ATOM 745 O HOH A 249 2.159 12.070 13.487 1.00 0.00 O +ATOM 746 H1 HOH A 249 1.351 11.607 13.791 1.00 0.00 H +ATOM 747 H2 HOH A 249 2.366 12.851 14.046 1.00 0.00 H +ATOM 748 O HOH A 250 21.407 4.410 20.541 1.00 0.00 O +ATOM 749 H1 HOH A 250 21.994 4.002 19.872 1.00 0.00 H +ATOM 750 H2 HOH A 250 21.380 3.888 21.372 1.00 0.00 H +ATOM 751 O HOH A 251 5.396 13.345 2.394 1.00 0.00 O +ATOM 752 H1 HOH A 251 5.516 13.318 3.365 1.00 0.00 H +ATOM 753 H2 HOH A 251 5.057 14.215 2.090 1.00 0.00 H +ATOM 754 O HOH A 252 4.038 20.536 12.564 1.00 0.00 O +ATOM 755 H1 HOH A 252 4.379 20.456 13.478 1.00 0.00 H +ATOM 756 H2 HOH A 252 3.490 19.762 12.309 1.00 0.00 H +ATOM 757 O HOH A 253 19.862 18.129 3.516 1.00 0.00 O +ATOM 758 H1 HOH A 253 19.828 17.171 3.313 1.00 0.00 H +ATOM 759 H2 HOH A 253 18.965 18.527 3.551 1.00 0.00 H +ATOM 760 O HOH A 254 17.708 2.598 13.330 1.00 0.00 O +ATOM 761 H1 HOH A 254 16.881 2.813 13.810 1.00 0.00 H +ATOM 762 H2 HOH A 254 18.037 3.361 12.807 1.00 0.00 H +ATOM 763 O HOH A 255 18.689 8.214 8.349 1.00 0.00 O +ATOM 764 H1 HOH A 255 17.718 8.279 8.238 1.00 0.00 H +ATOM 765 H2 HOH A 255 19.017 7.304 8.176 1.00 0.00 H +ATOM 766 O HOH A 256 1.453 21.176 16.248 1.00 0.00 O +ATOM 767 H1 HOH A 256 1.353 21.220 17.221 1.00 0.00 H +ATOM 768 H2 HOH A 256 1.648 22.057 15.859 1.00 0.00 H +TER 769 HOH A 256 +ENDMDL +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/1|build_coordinates_mixture_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/1|build_coordinates_mixture_output.json new file mode 100644 index 00000000..08254e80 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/1|build_coordinates_mixture_output.json @@ -0,0 +1 @@ +{".output_number_of_molecules": 256, ".output_substance": {"components": [{"smiles": "CCCO", "role": {"value": "solv", "@type": "openff.evaluator.substances.components.Component.Role"}, "@type": "openff.evaluator.substances.components.Component"}, {"smiles": "O", "role": {"value": "solv", "@type": "openff.evaluator.substances.components.Component.Role"}, "@type": "openff.evaluator.substances.components.Component"}], "amounts": {"CCCO{solv}": [{"value": 0.5, "@type": "openff.evaluator.substances.amounts.MoleFraction"}], "O{solv}": [{"value": 0.5, "@type": "openff.evaluator.substances.amounts.MoleFraction"}]}, "@type": "openff.evaluator.substances.substances.Substance"}, ".assigned_residue_names": {"CCCO{solv}": "HMW", "O{solv}": "HOH"}, ".coordinate_file_path": "1_build_coordinates_mixture/output.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/output.pdb new file mode 100644 index 00000000..f8996839 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_build_coordinates_mixture/output.pdb @@ -0,0 +1,3463 @@ +REMARK 1 CREATED WITH MDTraj 1.10.2, 2025-01-20 +CRYST1 30.546 30.546 30.546 90.00 90.00 90.00 P 1 1 +MODEL 0 +ATOM 1 C1 HMW A 1 8.485 8.371 10.253 1.00 0.00 C +ATOM 2 C2 HMW A 1 9.831 8.804 10.806 1.00 0.00 C +ATOM 3 C3 HMW A 1 10.272 10.054 10.039 1.00 0.00 C +ATOM 4 O1 HMW A 1 10.391 9.799 8.697 1.00 0.00 O +ATOM 5 H1 HMW A 1 7.773 9.161 10.533 1.00 0.00 H +ATOM 6 H2 HMW A 1 8.544 8.209 9.158 1.00 0.00 H +ATOM 7 H3 HMW A 1 8.220 7.399 10.703 1.00 0.00 H +ATOM 8 H4 HMW A 1 9.711 8.999 11.868 1.00 0.00 H +ATOM 9 H5 HMW A 1 10.596 8.036 10.649 1.00 0.00 H +ATOM 10 H6 HMW A 1 11.147 10.481 10.538 1.00 0.00 H +ATOM 11 H7 HMW A 1 9.438 10.781 10.166 1.00 0.00 H +ATOM 12 H8 HMW A 1 11.305 9.501 8.405 1.00 0.00 H +ATOM 13 C1 HMW A 2 6.656 18.740 6.602 1.00 0.00 C +ATOM 14 C2 HMW A 2 5.382 18.680 7.427 1.00 0.00 C +ATOM 15 C3 HMW A 2 4.226 18.350 6.479 1.00 0.00 C +ATOM 16 O1 HMW A 2 4.093 19.303 5.503 1.00 0.00 O +ATOM 17 H1 HMW A 2 6.839 17.713 6.252 1.00 0.00 H +ATOM 18 H2 HMW A 2 6.552 19.468 5.773 1.00 0.00 H +ATOM 19 H3 HMW A 2 7.471 19.107 7.247 1.00 0.00 H +ATOM 20 H4 HMW A 2 5.513 17.919 8.191 1.00 0.00 H +ATOM 21 H5 HMW A 2 5.159 19.646 7.892 1.00 0.00 H +ATOM 22 H6 HMW A 2 3.336 18.129 7.076 1.00 0.00 H +ATOM 23 H7 HMW A 2 4.525 17.401 5.977 1.00 0.00 H +ATOM 24 H8 HMW A 2 3.469 20.056 5.734 1.00 0.00 H +ATOM 25 C1 HMW A 3 5.920 19.213 25.614 1.00 0.00 C +ATOM 26 C2 HMW A 3 6.207 20.097 26.816 1.00 0.00 C +ATOM 27 C3 HMW A 3 4.867 20.451 27.467 1.00 0.00 C +ATOM 28 O1 HMW A 3 4.049 21.119 26.593 1.00 0.00 O +ATOM 29 H1 HMW A 3 5.525 18.270 26.019 1.00 0.00 H +ATOM 30 H2 HMW A 3 5.219 19.713 24.918 1.00 0.00 H +ATOM 31 H3 HMW A 3 6.863 19.062 25.062 1.00 0.00 H +ATOM 32 H4 HMW A 3 6.855 19.546 27.491 1.00 0.00 H +ATOM 33 H5 HMW A 3 6.685 21.037 26.519 1.00 0.00 H +ATOM 34 H6 HMW A 3 5.062 20.936 28.428 1.00 0.00 H +ATOM 35 H7 HMW A 3 4.384 19.471 27.688 1.00 0.00 H +ATOM 36 H8 HMW A 3 4.136 22.120 26.618 1.00 0.00 H +ATOM 37 C1 HMW A 4 6.313 20.986 21.131 1.00 0.00 C +ATOM 38 C2 HMW A 4 6.094 19.581 20.599 1.00 0.00 C +ATOM 39 C3 HMW A 4 4.799 19.587 19.783 1.00 0.00 C +ATOM 40 O1 HMW A 4 3.726 19.957 20.552 1.00 0.00 O +ATOM 41 H1 HMW A 4 6.517 21.615 20.252 1.00 0.00 H +ATOM 42 H2 HMW A 4 5.435 21.327 21.714 1.00 0.00 H +ATOM 43 H3 HMW A 4 7.168 20.964 21.829 1.00 0.00 H +ATOM 44 H4 HMW A 4 6.956 19.312 19.995 1.00 0.00 H +ATOM 45 H5 HMW A 4 5.965 18.858 21.413 1.00 0.00 H +ATOM 46 H6 HMW A 4 4.717 18.636 19.249 1.00 0.00 H +ATOM 47 H7 HMW A 4 4.944 20.380 19.014 1.00 0.00 H +ATOM 48 H8 HMW A 4 3.245 19.195 20.997 1.00 0.00 H +ATOM 49 C1 HMW A 5 10.889 24.372 7.410 1.00 0.00 C +ATOM 50 C2 HMW A 5 12.292 24.883 7.683 1.00 0.00 C +ATOM 51 C3 HMW A 5 12.168 26.202 8.451 1.00 0.00 C +ATOM 52 O1 HMW A 5 11.474 27.137 7.728 1.00 0.00 O +ATOM 53 H1 HMW A 5 10.466 24.109 8.391 1.00 0.00 H +ATOM 54 H2 HMW A 5 10.291 25.133 6.871 1.00 0.00 H +ATOM 55 H3 HMW A 5 10.961 23.495 6.745 1.00 0.00 H +ATOM 56 H4 HMW A 5 12.820 24.126 8.256 1.00 0.00 H +ATOM 57 H5 HMW A 5 12.831 25.095 6.753 1.00 0.00 H +ATOM 58 H6 HMW A 5 13.160 26.493 8.809 1.00 0.00 H +ATOM 59 H7 HMW A 5 11.557 25.958 9.350 1.00 0.00 H +ATOM 60 H8 HMW A 5 12.044 27.724 7.144 1.00 0.00 H +ATOM 61 C1 HMW A 6 14.552 24.314 0.754 1.00 0.00 C +ATOM 62 C2 HMW A 6 13.553 23.228 1.113 1.00 0.00 C +ATOM 63 C3 HMW A 6 14.342 22.003 1.584 1.00 0.00 C +ATOM 64 O1 HMW A 6 15.183 21.545 0.604 1.00 0.00 O +ATOM 65 H1 HMW A 6 15.029 24.611 1.700 1.00 0.00 H +ATOM 66 H2 HMW A 6 15.276 23.948 0.000 1.00 0.00 H +ATOM 67 H3 HMW A 6 14.003 25.151 0.289 1.00 0.00 H +ATOM 68 H4 HMW A 6 12.899 23.616 1.889 1.00 0.00 H +ATOM 69 H5 HMW A 6 12.962 22.922 0.242 1.00 0.00 H +ATOM 70 H6 HMW A 6 13.642 21.279 2.011 1.00 0.00 H +ATOM 71 H7 HMW A 6 14.979 22.373 2.420 1.00 0.00 H +ATOM 72 H8 HMW A 6 14.784 20.848 -0.000 1.00 0.00 H +ATOM 73 C1 HMW A 7 17.961 4.338 18.898 1.00 0.00 C +ATOM 74 C2 HMW A 7 18.723 5.650 18.928 1.00 0.00 C +ATOM 75 C3 HMW A 7 17.818 6.732 18.331 1.00 0.00 C +ATOM 76 O1 HMW A 7 17.470 6.434 17.039 1.00 0.00 O +ATOM 77 H1 HMW A 7 17.128 4.455 19.607 1.00 0.00 H +ATOM 78 H2 HMW A 7 17.624 4.102 17.869 1.00 0.00 H +ATOM 79 H3 HMW A 7 18.648 3.529 19.200 1.00 0.00 H +ATOM 80 H4 HMW A 7 18.987 5.863 19.960 1.00 0.00 H +ATOM 81 H5 HMW A 7 19.628 5.604 18.311 1.00 0.00 H +ATOM 82 H6 HMW A 7 18.278 7.709 18.505 1.00 0.00 H +ATOM 83 H7 HMW A 7 16.886 6.697 18.941 1.00 0.00 H +ATOM 84 H8 HMW A 7 18.091 6.805 16.341 1.00 0.00 H +ATOM 85 C1 HMW A 8 23.543 20.861 14.328 1.00 0.00 C +ATOM 86 C2 HMW A 8 23.755 21.171 15.799 1.00 0.00 C +ATOM 87 C3 HMW A 8 24.725 22.353 15.893 1.00 0.00 C +ATOM 88 O1 HMW A 8 25.930 22.056 15.311 1.00 0.00 O +ATOM 89 H1 HMW A 8 23.004 21.725 13.911 1.00 0.00 H +ATOM 90 H2 HMW A 8 24.510 20.669 13.824 1.00 0.00 H +ATOM 91 H3 HMW A 8 22.954 19.932 14.251 1.00 0.00 H +ATOM 92 H4 HMW A 8 22.788 21.402 16.237 1.00 0.00 H +ATOM 93 H5 HMW A 8 24.215 20.328 16.326 1.00 0.00 H +ATOM 94 H6 HMW A 8 24.752 22.702 16.929 1.00 0.00 H +ATOM 95 H7 HMW A 8 24.255 23.162 15.289 1.00 0.00 H +ATOM 96 H8 HMW A 8 26.612 21.662 15.934 1.00 0.00 H +ATOM 97 C1 HMW A 9 6.410 27.689 8.010 1.00 0.00 C +ATOM 98 C2 HMW A 9 7.726 27.663 8.766 1.00 0.00 C +ATOM 99 C3 HMW A 9 8.455 26.369 8.391 1.00 0.00 C +ATOM 100 O1 HMW A 9 7.715 25.265 8.723 1.00 0.00 O +ATOM 101 H1 HMW A 9 6.673 27.792 6.947 1.00 0.00 H +ATOM 102 H2 HMW A 9 5.816 26.779 8.223 1.00 0.00 H +ATOM 103 H3 HMW A 9 5.818 28.547 8.372 1.00 0.00 H +ATOM 104 H4 HMW A 9 8.293 28.546 8.486 1.00 0.00 H +ATOM 105 H5 HMW A 9 7.567 27.646 9.850 1.00 0.00 H +ATOM 106 H6 HMW A 9 9.475 26.416 8.784 1.00 0.00 H +ATOM 107 H7 HMW A 9 8.534 26.393 7.279 1.00 0.00 H +ATOM 108 H8 HMW A 9 7.893 24.901 9.643 1.00 0.00 H +ATOM 109 C1 HMW A 10 27.752 12.387 5.620 1.00 0.00 C +ATOM 110 C2 HMW A 10 27.563 13.196 6.891 1.00 0.00 C +ATOM 111 C3 HMW A 10 26.818 12.316 7.899 1.00 0.00 C +ATOM 112 O1 HMW A 10 25.595 11.931 7.417 1.00 0.00 O +ATOM 113 H1 HMW A 10 28.447 11.574 5.879 1.00 0.00 H +ATOM 114 H2 HMW A 10 26.779 12.020 5.240 1.00 0.00 H +ATOM 115 H3 HMW A 10 28.167 13.052 4.843 1.00 0.00 H +ATOM 116 H4 HMW A 10 28.545 13.489 7.252 1.00 0.00 H +ATOM 117 H5 HMW A 10 26.947 14.085 6.714 1.00 0.00 H +ATOM 118 H6 HMW A 10 26.829 12.814 8.873 1.00 0.00 H +ATOM 119 H7 HMW A 10 27.440 11.397 7.997 1.00 0.00 H +ATOM 120 H8 HMW A 10 24.837 12.549 7.649 1.00 0.00 H +ATOM 121 C1 HMW A 11 24.057 27.578 24.646 1.00 0.00 C +ATOM 122 C2 HMW A 11 25.252 27.605 23.710 1.00 0.00 C +ATOM 123 C3 HMW A 11 24.721 27.609 22.273 1.00 0.00 C +ATOM 124 O1 HMW A 11 23.965 26.495 22.018 1.00 0.00 O +ATOM 125 H1 HMW A 11 23.549 28.546 24.517 1.00 0.00 H +ATOM 126 H2 HMW A 11 23.402 26.713 24.423 1.00 0.00 H +ATOM 127 H3 HMW A 11 24.426 27.441 25.677 1.00 0.00 H +ATOM 128 H4 HMW A 11 25.834 28.495 23.932 1.00 0.00 H +ATOM 129 H5 HMW A 11 25.874 26.710 23.826 1.00 0.00 H +ATOM 130 H6 HMW A 11 25.555 27.805 21.593 1.00 0.00 H +ATOM 131 H7 HMW A 11 24.041 28.490 22.218 1.00 0.00 H +ATOM 132 H8 HMW A 11 24.479 25.714 21.648 1.00 0.00 H +ATOM 133 C1 HMW A 12 15.503 13.678 9.429 1.00 0.00 C +ATOM 134 C2 HMW A 12 15.346 12.919 8.124 1.00 0.00 C +ATOM 135 C3 HMW A 12 16.599 12.060 7.928 1.00 0.00 C +ATOM 136 O1 HMW A 12 17.729 12.834 7.872 1.00 0.00 O +ATOM 137 H1 HMW A 12 15.475 12.921 10.226 1.00 0.00 H +ATOM 138 H2 HMW A 12 16.439 14.271 9.428 1.00 0.00 H +ATOM 139 H3 HMW A 12 14.671 14.398 9.515 1.00 0.00 H +ATOM 140 H4 HMW A 12 14.445 12.315 8.193 1.00 0.00 H +ATOM 141 H5 HMW A 12 15.277 13.599 7.268 1.00 0.00 H +ATOM 142 H6 HMW A 12 16.428 11.377 7.091 1.00 0.00 H +ATOM 143 H7 HMW A 12 16.669 11.436 8.848 1.00 0.00 H +ATOM 144 H8 HMW A 12 17.990 13.130 6.949 1.00 0.00 H +ATOM 145 C1 HMW A 13 15.046 23.305 6.962 1.00 0.00 C +ATOM 146 C2 HMW A 13 14.048 22.326 6.370 1.00 0.00 C +ATOM 147 C3 HMW A 13 14.173 22.395 4.845 1.00 0.00 C +ATOM 148 O1 HMW A 13 13.907 23.656 4.380 1.00 0.00 O +ATOM 149 H1 HMW A 13 16.042 22.904 6.725 1.00 0.00 H +ATOM 150 H2 HMW A 13 14.882 24.324 6.559 1.00 0.00 H +ATOM 151 H3 HMW A 13 14.873 23.362 8.050 1.00 0.00 H +ATOM 152 H4 HMW A 13 14.280 21.336 6.754 1.00 0.00 H +ATOM 153 H5 HMW A 13 13.018 22.596 6.627 1.00 0.00 H +ATOM 154 H6 HMW A 13 13.594 21.576 4.409 1.00 0.00 H +ATOM 155 H7 HMW A 13 15.246 22.183 4.633 1.00 0.00 H +ATOM 156 H8 HMW A 13 12.944 23.821 4.141 1.00 0.00 H +ATOM 157 C1 HMW A 14 6.494 12.747 13.709 1.00 0.00 C +ATOM 158 C2 HMW A 14 6.638 11.271 13.385 1.00 0.00 C +ATOM 159 C3 HMW A 14 8.032 10.826 13.836 1.00 0.00 C +ATOM 160 O1 HMW A 14 9.014 11.533 13.192 1.00 0.00 O +ATOM 161 H1 HMW A 14 6.490 12.817 14.807 1.00 0.00 H +ATOM 162 H2 HMW A 14 7.309 13.333 13.241 1.00 0.00 H +ATOM 163 H3 HMW A 14 5.549 13.109 13.270 1.00 0.00 H +ATOM 164 H4 HMW A 14 5.850 10.734 13.906 1.00 0.00 H +ATOM 165 H5 HMW A 14 6.568 11.087 12.307 1.00 0.00 H +ATOM 166 H6 HMW A 14 8.089 9.736 13.774 1.00 0.00 H +ATOM 167 H7 HMW A 14 8.086 11.094 14.916 1.00 0.00 H +ATOM 168 H8 HMW A 14 9.340 11.116 12.338 1.00 0.00 H +ATOM 169 C1 HMW A 15 19.025 23.113 1.968 1.00 0.00 C +ATOM 170 C2 HMW A 15 17.893 23.967 1.425 1.00 0.00 C +ATOM 171 C3 HMW A 15 17.562 25.029 2.478 1.00 0.00 C +ATOM 172 O1 HMW A 15 17.174 24.454 3.660 1.00 0.00 O +ATOM 173 H1 HMW A 15 19.905 23.771 2.017 1.00 0.00 H +ATOM 174 H2 HMW A 15 18.753 22.679 2.950 1.00 0.00 H +ATOM 175 H3 HMW A 15 19.182 22.266 1.279 1.00 0.00 H +ATOM 176 H4 HMW A 15 18.225 24.410 0.490 1.00 0.00 H +ATOM 177 H5 HMW A 15 16.986 23.375 1.259 1.00 0.00 H +ATOM 178 H6 HMW A 15 16.876 25.758 2.036 1.00 0.00 H +ATOM 179 H7 HMW A 15 18.523 25.559 2.667 1.00 0.00 H +ATOM 180 H8 HMW A 15 16.185 24.299 3.747 1.00 0.00 H +ATOM 181 C1 HMW A 16 21.476 22.720 25.352 1.00 0.00 C +ATOM 182 C2 HMW A 16 21.719 23.362 26.706 1.00 0.00 C +ATOM 183 C3 HMW A 16 22.456 22.343 27.581 1.00 0.00 C +ATOM 184 O1 HMW A 16 21.717 21.200 27.744 1.00 0.00 O +ATOM 185 H1 HMW A 16 22.467 22.593 24.894 1.00 0.00 H +ATOM 186 H2 HMW A 16 20.924 21.766 25.463 1.00 0.00 H +ATOM 187 H3 HMW A 16 20.831 23.392 24.760 1.00 0.00 H +ATOM 188 H4 HMW A 16 22.305 24.263 26.550 1.00 0.00 H +ATOM 189 H5 HMW A 16 20.778 23.607 27.210 1.00 0.00 H +ATOM 190 H6 HMW A 16 22.794 22.844 28.492 1.00 0.00 H +ATOM 191 H7 HMW A 16 23.367 22.068 27.002 1.00 0.00 H +ATOM 192 H8 HMW A 16 21.111 21.201 28.546 1.00 0.00 H +ATOM 193 C1 HMW A 17 17.674 3.037 5.308 1.00 0.00 C +ATOM 194 C2 HMW A 17 18.227 1.750 4.722 1.00 0.00 C +ATOM 195 C3 HMW A 17 18.898 0.969 5.856 1.00 0.00 C +ATOM 196 O1 HMW A 17 19.919 1.689 6.421 1.00 0.00 O +ATOM 197 H1 HMW A 17 16.863 2.737 5.987 1.00 0.00 H +ATOM 198 H2 HMW A 17 18.474 3.612 5.816 1.00 0.00 H +ATOM 199 H3 HMW A 17 17.308 3.666 4.480 1.00 0.00 H +ATOM 200 H4 HMW A 17 17.401 1.199 4.282 1.00 0.00 H +ATOM 201 H5 HMW A 17 18.992 1.949 3.964 1.00 0.00 H +ATOM 202 H6 HMW A 17 19.144 -0.033 5.494 1.00 0.00 H +ATOM 203 H7 HMW A 17 18.108 0.850 6.633 1.00 0.00 H +ATOM 204 H8 HMW A 17 20.821 1.536 6.005 1.00 0.00 H +ATOM 205 C1 HMW A 18 19.729 3.899 26.599 1.00 0.00 C +ATOM 206 C2 HMW A 18 18.669 4.431 27.548 1.00 0.00 C +ATOM 207 C3 HMW A 18 18.185 5.778 27.001 1.00 0.00 C +ATOM 208 O1 HMW A 18 19.214 6.679 26.914 1.00 0.00 O +ATOM 209 H1 HMW A 18 19.206 3.670 25.659 1.00 0.00 H +ATOM 210 H2 HMW A 18 20.547 4.635 26.472 1.00 0.00 H +ATOM 211 H3 HMW A 18 20.178 2.999 27.051 1.00 0.00 H +ATOM 212 H4 HMW A 18 17.867 3.700 27.600 1.00 0.00 H +ATOM 213 H5 HMW A 18 19.079 4.612 28.548 1.00 0.00 H +ATOM 214 H6 HMW A 18 17.304 6.090 27.569 1.00 0.00 H +ATOM 215 H7 HMW A 18 17.844 5.563 25.963 1.00 0.00 H +ATOM 216 H8 HMW A 18 19.345 7.248 27.732 1.00 0.00 H +ATOM 217 C1 HMW A 19 13.587 1.259 4.239 1.00 0.00 C +ATOM 218 C2 HMW A 19 14.670 2.019 4.984 1.00 0.00 C +ATOM 219 C3 HMW A 19 14.051 3.316 5.513 1.00 0.00 C +ATOM 220 O1 HMW A 19 13.570 4.092 4.491 1.00 0.00 O +ATOM 221 H1 HMW A 19 12.853 0.953 4.999 1.00 0.00 H +ATOM 222 H2 HMW A 19 13.146 1.887 3.440 1.00 0.00 H +ATOM 223 H3 HMW A 19 14.051 0.391 3.741 1.00 0.00 H +ATOM 224 H4 HMW A 19 15.034 1.384 5.787 1.00 0.00 H +ATOM 225 H5 HMW A 19 15.496 2.297 4.320 1.00 0.00 H +ATOM 226 H6 HMW A 19 14.761 3.789 6.198 1.00 0.00 H +ATOM 227 H7 HMW A 19 13.177 2.993 6.123 1.00 0.00 H +ATOM 228 H8 HMW A 19 14.228 4.754 4.120 1.00 0.00 H +ATOM 229 C1 HMW A 20 25.083 15.750 5.306 1.00 0.00 C +ATOM 230 C2 HMW A 20 23.836 16.610 5.409 1.00 0.00 C +ATOM 231 C3 HMW A 20 22.622 15.700 5.192 1.00 0.00 C +ATOM 232 O1 HMW A 20 22.663 15.100 3.960 1.00 0.00 O +ATOM 233 H1 HMW A 20 25.057 15.073 6.173 1.00 0.00 H +ATOM 234 H2 HMW A 20 25.112 15.213 4.338 1.00 0.00 H +ATOM 235 H3 HMW A 20 25.965 16.414 5.328 1.00 0.00 H +ATOM 236 H4 HMW A 20 23.827 17.073 6.391 1.00 0.00 H +ATOM 237 H5 HMW A 20 23.812 17.379 4.629 1.00 0.00 H +ATOM 238 H6 HMW A 20 21.716 16.262 5.436 1.00 0.00 H +ATOM 239 H7 HMW A 20 22.723 14.896 5.956 1.00 0.00 H +ATOM 240 H8 HMW A 20 22.202 15.611 3.228 1.00 0.00 H +ATOM 241 C1 HMW A 21 27.481 8.962 5.027 1.00 0.00 C +ATOM 242 C2 HMW A 21 27.915 8.432 6.382 1.00 0.00 C +ATOM 243 C3 HMW A 21 26.651 8.086 7.176 1.00 0.00 C +ATOM 244 O1 HMW A 21 25.855 9.188 7.350 1.00 0.00 O +ATOM 245 H1 HMW A 21 27.021 8.112 4.503 1.00 0.00 H +ATOM 246 H2 HMW A 21 26.794 9.823 5.144 1.00 0.00 H +ATOM 247 H3 HMW A 21 28.374 9.338 4.499 1.00 0.00 H +ATOM 248 H4 HMW A 21 28.543 7.561 6.217 1.00 0.00 H +ATOM 249 H5 HMW A 21 28.464 9.189 6.953 1.00 0.00 H +ATOM 250 H6 HMW A 21 26.943 7.542 8.079 1.00 0.00 H +ATOM 251 H7 HMW A 21 26.091 7.371 6.531 1.00 0.00 H +ATOM 252 H8 HMW A 21 26.038 9.710 8.189 1.00 0.00 H +ATOM 253 C1 HMW A 22 19.764 9.515 16.902 1.00 0.00 C +ATOM 254 C2 HMW A 22 18.952 10.217 17.976 1.00 0.00 C +ATOM 255 C3 HMW A 22 18.971 11.717 17.671 1.00 0.00 C +ATOM 256 O1 HMW A 22 20.249 12.210 17.671 1.00 0.00 O +ATOM 257 H1 HMW A 22 19.200 9.638 15.966 1.00 0.00 H +ATOM 258 H2 HMW A 22 20.789 9.934 16.848 1.00 0.00 H +ATOM 259 H3 HMW A 22 19.870 8.454 17.183 1.00 0.00 H +ATOM 260 H4 HMW A 22 17.945 9.809 17.955 1.00 0.00 H +ATOM 261 H5 HMW A 22 19.393 10.078 18.969 1.00 0.00 H +ATOM 262 H6 HMW A 22 18.250 12.216 18.326 1.00 0.00 H +ATOM 263 H7 HMW A 22 18.581 11.807 16.631 1.00 0.00 H +ATOM 264 H8 HMW A 22 20.566 12.556 18.560 1.00 0.00 H +ATOM 265 C1 HMW A 23 10.590 3.007 11.661 1.00 0.00 C +ATOM 266 C2 HMW A 23 9.284 2.877 12.424 1.00 0.00 C +ATOM 267 C3 HMW A 23 9.594 3.042 13.914 1.00 0.00 C +ATOM 268 O1 HMW A 23 10.474 2.085 14.349 1.00 0.00 O +ATOM 269 H1 HMW A 23 10.911 4.051 11.786 1.00 0.00 H +ATOM 270 H2 HMW A 23 11.335 2.277 12.031 1.00 0.00 H +ATOM 271 H3 HMW A 23 10.400 2.758 10.603 1.00 0.00 H +ATOM 272 H4 HMW A 23 8.605 3.644 12.062 1.00 0.00 H +ATOM 273 H5 HMW A 23 8.836 1.886 12.290 1.00 0.00 H +ATOM 274 H6 HMW A 23 8.651 3.128 14.461 1.00 0.00 H +ATOM 275 H7 HMW A 23 10.109 4.027 13.996 1.00 0.00 H +ATOM 276 H8 HMW A 23 10.045 1.248 14.702 1.00 0.00 H +ATOM 277 C1 HMW A 24 4.776 7.017 2.221 1.00 0.00 C +ATOM 278 C2 HMW A 24 5.042 8.450 2.643 1.00 0.00 C +ATOM 279 C3 HMW A 24 3.723 9.043 3.146 1.00 0.00 C +ATOM 280 O1 HMW A 24 2.764 9.027 2.168 1.00 0.00 O +ATOM 281 H1 HMW A 24 4.533 6.469 3.144 1.00 0.00 H +ATOM 282 H2 HMW A 24 3.966 6.974 1.467 1.00 0.00 H +ATOM 283 H3 HMW A 24 5.684 6.623 1.735 1.00 0.00 H +ATOM 284 H4 HMW A 24 5.804 8.436 3.418 1.00 0.00 H +ATOM 285 H5 HMW A 24 5.376 9.063 1.799 1.00 0.00 H +ATOM 286 H6 HMW A 24 3.930 10.009 3.617 1.00 0.00 H +ATOM 287 H7 HMW A 24 3.384 8.354 3.953 1.00 0.00 H +ATOM 288 H8 HMW A 24 2.727 9.856 1.600 1.00 0.00 H +ATOM 289 C1 HMW A 25 6.319 25.541 1.934 1.00 0.00 C +ATOM 290 C2 HMW A 25 6.952 26.898 2.185 1.00 0.00 C +ATOM 291 C3 HMW A 25 6.287 27.502 3.425 1.00 0.00 C +ATOM 292 O1 HMW A 25 4.937 27.655 3.242 1.00 0.00 O +ATOM 293 H1 HMW A 25 6.622 24.904 2.778 1.00 0.00 H +ATOM 294 H2 HMW A 25 5.220 25.633 1.834 1.00 0.00 H +ATOM 295 H3 HMW A 25 6.694 25.156 0.971 1.00 0.00 H +ATOM 296 H4 HMW A 25 8.019 26.750 2.327 1.00 0.00 H +ATOM 297 H5 HMW A 25 6.776 27.585 1.351 1.00 0.00 H +ATOM 298 H6 HMW A 25 6.847 28.393 3.724 1.00 0.00 H +ATOM 299 H7 HMW A 25 6.428 26.744 4.229 1.00 0.00 H +ATOM 300 H8 HMW A 25 4.663 28.546 2.866 1.00 0.00 H +ATOM 301 C1 HMW A 26 26.780 20.473 11.611 1.00 0.00 C +ATOM 302 C2 HMW A 26 26.472 21.473 10.511 1.00 0.00 C +ATOM 303 C3 HMW A 26 27.658 22.436 10.408 1.00 0.00 C +ATOM 304 O1 HMW A 26 27.862 23.104 11.587 1.00 0.00 O +ATOM 305 H1 HMW A 26 27.624 19.871 11.246 1.00 0.00 H +ATOM 306 H2 HMW A 26 27.000 20.994 12.564 1.00 0.00 H +ATOM 307 H3 HMW A 26 25.880 19.859 11.785 1.00 0.00 H +ATOM 308 H4 HMW A 26 26.314 20.920 9.589 1.00 0.00 H +ATOM 309 H5 HMW A 26 25.584 22.071 10.747 1.00 0.00 H +ATOM 310 H6 HMW A 26 27.535 23.048 9.510 1.00 0.00 H +ATOM 311 H7 HMW A 26 28.546 21.785 10.238 1.00 0.00 H +ATOM 312 H8 HMW A 26 27.374 23.978 11.665 1.00 0.00 H +ATOM 313 C1 HMW A 27 10.241 14.446 22.531 1.00 0.00 C +ATOM 314 C2 HMW A 27 9.938 15.562 21.548 1.00 0.00 C +ATOM 315 C3 HMW A 27 11.083 15.614 20.532 1.00 0.00 C +ATOM 316 O1 HMW A 27 12.283 15.859 21.146 1.00 0.00 O +ATOM 317 H1 HMW A 27 10.174 13.510 21.957 1.00 0.00 H +ATOM 318 H2 HMW A 27 11.232 14.596 23.003 1.00 0.00 H +ATOM 319 H3 HMW A 27 9.494 14.485 23.343 1.00 0.00 H +ATOM 320 H4 HMW A 27 8.984 15.345 21.076 1.00 0.00 H +ATOM 321 H5 HMW A 27 9.897 16.537 22.046 1.00 0.00 H +ATOM 322 H6 HMW A 27 10.798 16.288 19.719 1.00 0.00 H +ATOM 323 H7 HMW A 27 11.135 14.588 20.101 1.00 0.00 H +ATOM 324 H8 HMW A 27 12.527 16.832 21.220 1.00 0.00 H +ATOM 325 C1 HMW A 28 18.083 23.781 22.714 1.00 0.00 C +ATOM 326 C2 HMW A 28 18.899 22.775 21.922 1.00 0.00 C +ATOM 327 C3 HMW A 28 18.248 22.624 20.544 1.00 0.00 C +ATOM 328 O1 HMW A 28 16.956 22.181 20.649 1.00 0.00 O +ATOM 329 H1 HMW A 28 18.221 24.748 22.210 1.00 0.00 H +ATOM 330 H2 HMW A 28 17.021 23.469 22.768 1.00 0.00 H +ATOM 331 H3 HMW A 28 18.462 23.798 23.750 1.00 0.00 H +ATOM 332 H4 HMW A 28 19.918 23.149 21.854 1.00 0.00 H +ATOM 333 H5 HMW A 28 18.893 21.788 22.398 1.00 0.00 H +ATOM 334 H6 HMW A 28 18.918 22.044 19.903 1.00 0.00 H +ATOM 335 H7 HMW A 28 18.212 23.657 20.127 1.00 0.00 H +ATOM 336 H8 HMW A 28 16.851 21.182 20.624 1.00 0.00 H +ATOM 337 C1 HMW A 29 18.973 25.871 15.248 1.00 0.00 C +ATOM 338 C2 HMW A 29 19.252 26.240 13.802 1.00 0.00 C +ATOM 339 C3 HMW A 29 20.763 26.436 13.652 1.00 0.00 C +ATOM 340 O1 HMW A 29 21.220 27.434 14.473 1.00 0.00 O +ATOM 341 H1 HMW A 29 19.421 24.878 15.400 1.00 0.00 H +ATOM 342 H2 HMW A 29 19.381 26.639 15.935 1.00 0.00 H +ATOM 343 H3 HMW A 29 17.880 25.857 15.399 1.00 0.00 H +ATOM 344 H4 HMW A 29 18.881 25.435 13.172 1.00 0.00 H +ATOM 345 H5 HMW A 29 18.769 27.184 13.527 1.00 0.00 H +ATOM 346 H6 HMW A 29 21.000 26.527 12.588 1.00 0.00 H +ATOM 347 H7 HMW A 29 21.216 25.482 14.006 1.00 0.00 H +ATOM 348 H8 HMW A 29 21.228 28.349 14.059 1.00 0.00 H +ATOM 349 C1 HMW A 30 17.105 3.527 12.638 1.00 0.00 C +ATOM 350 C2 HMW A 30 17.580 4.965 12.743 1.00 0.00 C +ATOM 351 C3 HMW A 30 17.976 5.222 14.199 1.00 0.00 C +ATOM 352 O1 HMW A 30 16.916 5.029 15.046 1.00 0.00 O +ATOM 353 H1 HMW A 30 17.990 2.901 12.822 1.00 0.00 H +ATOM 354 H2 HMW A 30 16.280 3.333 13.352 1.00 0.00 H +ATOM 355 H3 HMW A 30 16.693 3.370 11.627 1.00 0.00 H +ATOM 356 H4 HMW A 30 18.419 5.093 12.064 1.00 0.00 H +ATOM 357 H5 HMW A 30 16.782 5.672 12.491 1.00 0.00 H +ATOM 358 H6 HMW A 30 18.484 6.189 14.259 1.00 0.00 H +ATOM 359 H7 HMW A 30 18.735 4.441 14.435 1.00 0.00 H +ATOM 360 H8 HMW A 30 16.366 5.851 15.225 1.00 0.00 H +ATOM 361 C1 HMW A 31 10.023 17.440 10.338 1.00 0.00 C +ATOM 362 C2 HMW A 31 8.658 16.840 10.623 1.00 0.00 C +ATOM 363 C3 HMW A 31 7.619 17.647 9.840 1.00 0.00 C +ATOM 364 O1 HMW A 31 7.626 18.965 10.216 1.00 0.00 O +ATOM 365 H1 HMW A 31 10.227 17.240 9.276 1.00 0.00 H +ATOM 366 H2 HMW A 31 10.037 18.520 10.586 1.00 0.00 H +ATOM 367 H3 HMW A 31 10.762 16.953 10.998 1.00 0.00 H +ATOM 368 H4 HMW A 31 8.679 15.797 10.317 1.00 0.00 H +ATOM 369 H5 HMW A 31 8.399 16.914 11.685 1.00 0.00 H +ATOM 370 H6 HMW A 31 6.659 17.126 9.890 1.00 0.00 H +ATOM 371 H7 HMW A 31 7.958 17.604 8.779 1.00 0.00 H +ATOM 372 H8 HMW A 31 6.994 19.192 10.963 1.00 0.00 H +ATOM 373 C1 HMW A 32 26.596 22.461 23.103 1.00 0.00 C +ATOM 374 C2 HMW A 32 25.998 23.821 22.787 1.00 0.00 C +ATOM 375 C3 HMW A 32 27.115 24.703 22.222 1.00 0.00 C +ATOM 376 O1 HMW A 32 28.137 24.852 23.122 1.00 0.00 O +ATOM 377 H1 HMW A 32 26.867 22.017 22.134 1.00 0.00 H +ATOM 378 H2 HMW A 32 27.458 22.562 23.790 1.00 0.00 H +ATOM 379 H3 HMW A 32 25.835 21.862 23.632 1.00 0.00 H +ATOM 380 H4 HMW A 32 25.192 23.676 22.073 1.00 0.00 H +ATOM 381 H5 HMW A 32 25.617 24.312 23.689 1.00 0.00 H +ATOM 382 H6 HMW A 32 26.670 25.621 21.826 1.00 0.00 H +ATOM 383 H7 HMW A 32 27.520 24.136 21.352 1.00 0.00 H +ATOM 384 H8 HMW A 32 28.047 25.645 23.733 1.00 0.00 H +ATOM 385 C1 HMW A 33 6.521 26.027 22.020 1.00 0.00 C +ATOM 386 C2 HMW A 33 6.197 27.403 22.573 1.00 0.00 C +ATOM 387 C3 HMW A 33 5.295 27.214 23.797 1.00 0.00 C +ATOM 388 O1 HMW A 33 4.132 26.570 23.465 1.00 0.00 O +ATOM 389 H1 HMW A 33 7.145 25.533 22.779 1.00 0.00 H +ATOM 390 H2 HMW A 33 5.593 25.466 21.792 1.00 0.00 H +ATOM 391 H3 HMW A 33 7.058 26.154 21.064 1.00 0.00 H +ATOM 392 H4 HMW A 33 7.133 27.891 22.829 1.00 0.00 H +ATOM 393 H5 HMW A 33 5.642 28.008 21.848 1.00 0.00 H +ATOM 394 H6 HMW A 33 5.197 28.175 24.311 1.00 0.00 H +ATOM 395 H7 HMW A 33 5.865 26.539 24.476 1.00 0.00 H +ATOM 396 H8 HMW A 33 3.374 27.178 23.207 1.00 0.00 H +ATOM 397 C1 HMW A 34 3.216 25.833 20.260 1.00 0.00 C +ATOM 398 C2 HMW A 34 2.713 24.492 19.757 1.00 0.00 C +ATOM 399 C3 HMW A 34 3.887 23.509 19.792 1.00 0.00 C +ATOM 400 O1 HMW A 34 4.919 23.936 18.998 1.00 0.00 O +ATOM 401 H1 HMW A 34 3.454 25.688 21.324 1.00 0.00 H +ATOM 402 H2 HMW A 34 4.086 26.175 19.665 1.00 0.00 H +ATOM 403 H3 HMW A 34 2.418 26.581 20.115 1.00 0.00 H +ATOM 404 H4 HMW A 34 1.897 24.176 20.402 1.00 0.00 H +ATOM 405 H5 HMW A 34 2.369 24.555 18.719 1.00 0.00 H +ATOM 406 H6 HMW A 34 3.505 22.501 19.603 1.00 0.00 H +ATOM 407 H7 HMW A 34 4.250 23.528 20.845 1.00 0.00 H +ATOM 408 H8 HMW A 34 4.885 23.604 18.050 1.00 0.00 H +ATOM 409 C1 HMW A 35 12.778 24.122 27.611 1.00 0.00 C +ATOM 410 C2 HMW A 35 13.992 23.717 26.794 1.00 0.00 C +ATOM 411 C3 HMW A 35 15.238 24.227 27.523 1.00 0.00 C +ATOM 412 O1 HMW A 35 15.213 25.591 27.658 1.00 0.00 O +ATOM 413 H1 HMW A 35 12.836 23.545 28.546 1.00 0.00 H +ATOM 414 H2 HMW A 35 12.764 25.217 27.778 1.00 0.00 H +ATOM 415 H3 HMW A 35 11.871 23.877 27.032 1.00 0.00 H +ATOM 416 H4 HMW A 35 13.989 22.634 26.701 1.00 0.00 H +ATOM 417 H5 HMW A 35 13.980 24.179 25.801 1.00 0.00 H +ATOM 418 H6 HMW A 35 16.123 23.796 27.046 1.00 0.00 H +ATOM 419 H7 HMW A 35 15.174 23.792 28.546 1.00 0.00 H +ATOM 420 H8 HMW A 35 15.649 26.096 26.906 1.00 0.00 H +ATOM 421 C1 HMW A 36 17.342 6.172 0.756 1.00 0.00 C +ATOM 422 C2 HMW A 36 17.278 4.798 1.398 1.00 0.00 C +ATOM 423 C3 HMW A 36 18.663 4.485 1.973 1.00 0.00 C +ATOM 424 O1 HMW A 36 19.622 4.487 0.994 1.00 0.00 O +ATOM 425 H1 HMW A 36 17.492 6.885 1.580 1.00 0.00 H +ATOM 426 H2 HMW A 36 18.147 6.213 -0.004 1.00 0.00 H +ATOM 427 H3 HMW A 36 16.393 6.352 0.223 1.00 0.00 H +ATOM 428 H4 HMW A 36 16.512 4.822 2.168 1.00 0.00 H +ATOM 429 H5 HMW A 36 17.046 4.020 0.661 1.00 0.00 H +ATOM 430 H6 HMW A 36 18.590 3.584 2.589 1.00 0.00 H +ATOM 431 H7 HMW A 36 18.889 5.332 2.661 1.00 0.00 H +ATOM 432 H8 HMW A 36 19.783 3.595 0.562 1.00 0.00 H +ATOM 433 C1 HMW A 37 20.323 3.602 22.381 1.00 0.00 C +ATOM 434 C2 HMW A 37 19.229 2.630 22.784 1.00 0.00 C +ATOM 435 C3 HMW A 37 19.887 1.471 23.538 1.00 0.00 C +ATOM 436 O1 HMW A 37 20.807 0.824 22.754 1.00 0.00 O +ATOM 437 H1 HMW A 37 20.706 4.034 23.317 1.00 0.00 H +ATOM 438 H2 HMW A 37 21.106 3.089 21.789 1.00 0.00 H +ATOM 439 H3 HMW A 37 19.881 4.371 21.724 1.00 0.00 H +ATOM 440 H4 HMW A 37 18.514 3.166 23.403 1.00 0.00 H +ATOM 441 H5 HMW A 37 18.724 2.207 21.908 1.00 0.00 H +ATOM 442 H6 HMW A 37 19.103 0.856 23.987 1.00 0.00 H +ATOM 443 H7 HMW A 37 20.444 1.950 24.376 1.00 0.00 H +ATOM 444 H8 HMW A 37 20.439 0.052 22.226 1.00 0.00 H +ATOM 445 C1 HMW A 38 3.518 2.380 10.166 1.00 0.00 C +ATOM 446 C2 HMW A 38 3.578 3.600 11.069 1.00 0.00 C +ATOM 447 C3 HMW A 38 2.619 4.650 10.501 1.00 0.00 C +ATOM 448 O1 HMW A 38 2.970 5.008 9.225 1.00 0.00 O +ATOM 449 H1 HMW A 38 2.508 1.962 10.290 1.00 0.00 H +ATOM 450 H2 HMW A 38 3.748 2.656 9.118 1.00 0.00 H +ATOM 451 H3 HMW A 38 4.300 1.671 10.488 1.00 0.00 H +ATOM 452 H4 HMW A 38 3.296 3.291 12.072 1.00 0.00 H +ATOM 453 H5 HMW A 38 4.580 4.043 11.080 1.00 0.00 H +ATOM 454 H6 HMW A 38 2.516 5.460 11.229 1.00 0.00 H +ATOM 455 H7 HMW A 38 1.631 4.138 10.441 1.00 0.00 H +ATOM 456 H8 HMW A 38 3.597 5.791 9.166 1.00 0.00 H +ATOM 457 C1 HMW A 39 9.397 16.804 2.186 1.00 0.00 C +ATOM 458 C2 HMW A 39 9.488 15.346 2.601 1.00 0.00 C +ATOM 459 C3 HMW A 39 10.951 15.047 2.940 1.00 0.00 C +ATOM 460 O1 HMW A 39 11.768 15.266 1.861 1.00 0.00 O +ATOM 461 H1 HMW A 39 9.622 17.391 3.088 1.00 0.00 H +ATOM 462 H2 HMW A 39 10.089 17.017 1.347 1.00 0.00 H +ATOM 463 H3 HMW A 39 8.377 16.996 1.813 1.00 0.00 H +ATOM 464 H4 HMW A 39 8.834 15.199 3.456 1.00 0.00 H +ATOM 465 H5 HMW A 39 9.197 14.676 1.784 1.00 0.00 H +ATOM 466 H6 HMW A 39 11.007 14.059 3.407 1.00 0.00 H +ATOM 467 H7 HMW A 39 11.227 15.793 3.720 1.00 0.00 H +ATOM 468 H8 HMW A 39 11.914 14.463 1.274 1.00 0.00 H +ATOM 469 C1 HMW A 40 14.912 10.772 23.374 1.00 0.00 C +ATOM 470 C2 HMW A 40 13.720 9.852 23.566 1.00 0.00 C +ATOM 471 C3 HMW A 40 13.823 8.729 22.530 1.00 0.00 C +ATOM 472 O1 HMW A 40 13.815 9.227 21.253 1.00 0.00 O +ATOM 473 H1 HMW A 40 15.797 10.184 23.657 1.00 0.00 H +ATOM 474 H2 HMW A 40 14.955 11.146 22.332 1.00 0.00 H +ATOM 475 H3 HMW A 40 14.778 11.654 24.023 1.00 0.00 H +ATOM 476 H4 HMW A 40 13.749 9.472 24.584 1.00 0.00 H +ATOM 477 H5 HMW A 40 12.774 10.376 23.388 1.00 0.00 H +ATOM 478 H6 HMW A 40 13.077 7.965 22.766 1.00 0.00 H +ATOM 479 H7 HMW A 40 14.824 8.270 22.700 1.00 0.00 H +ATOM 480 H8 HMW A 40 12.903 9.300 20.837 1.00 0.00 H +ATOM 481 C1 HMW A 41 18.442 18.072 27.870 1.00 0.00 C +ATOM 482 C2 HMW A 41 18.525 18.575 26.439 1.00 0.00 C +ATOM 483 C3 HMW A 41 18.390 17.366 25.509 1.00 0.00 C +ATOM 484 O1 HMW A 41 19.387 16.453 25.730 1.00 0.00 O +ATOM 485 H1 HMW A 41 17.414 17.705 28.003 1.00 0.00 H +ATOM 486 H2 HMW A 41 19.208 17.293 28.057 1.00 0.00 H +ATOM 487 H3 HMW A 41 18.671 18.912 28.547 1.00 0.00 H +ATOM 488 H4 HMW A 41 17.725 19.295 26.290 1.00 0.00 H +ATOM 489 H5 HMW A 41 19.495 19.041 26.232 1.00 0.00 H +ATOM 490 H6 HMW A 41 18.269 17.725 24.483 1.00 0.00 H +ATOM 491 H7 HMW A 41 17.429 16.883 25.800 1.00 0.00 H +ATOM 492 H8 HMW A 41 20.209 16.584 25.167 1.00 0.00 H +ATOM 493 C1 HMW A 42 7.157 9.417 20.651 1.00 0.00 C +ATOM 494 C2 HMW A 42 6.106 10.119 19.811 1.00 0.00 C +ATOM 495 C3 HMW A 42 4.751 9.477 20.124 1.00 0.00 C +ATOM 496 O1 HMW A 42 4.754 8.139 19.827 1.00 0.00 O +ATOM 497 H1 HMW A 42 6.935 9.680 21.696 1.00 0.00 H +ATOM 498 H2 HMW A 42 7.143 8.325 20.466 1.00 0.00 H +ATOM 499 H3 HMW A 42 8.151 9.779 20.337 1.00 0.00 H +ATOM 500 H4 HMW A 42 6.124 11.176 20.063 1.00 0.00 H +ATOM 501 H5 HMW A 42 6.292 9.986 18.739 1.00 0.00 H +ATOM 502 H6 HMW A 42 3.963 10.081 19.665 1.00 0.00 H +ATOM 503 H7 HMW A 42 4.634 9.571 21.227 1.00 0.00 H +ATOM 504 H8 HMW A 42 4.457 7.914 18.894 1.00 0.00 H +ATOM 505 C1 HMW A 43 11.304 25.576 23.184 1.00 0.00 C +ATOM 506 C2 HMW A 43 10.361 24.509 22.658 1.00 0.00 C +ATOM 507 C3 HMW A 43 11.046 23.150 22.834 1.00 0.00 C +ATOM 508 O1 HMW A 43 12.228 23.095 22.143 1.00 0.00 O +ATOM 509 H1 HMW A 43 11.372 25.412 24.270 1.00 0.00 H +ATOM 510 H2 HMW A 43 12.287 25.516 22.675 1.00 0.00 H +ATOM 511 H3 HMW A 43 10.880 26.565 22.942 1.00 0.00 H +ATOM 512 H4 HMW A 43 9.433 24.573 23.221 1.00 0.00 H +ATOM 513 H5 HMW A 43 10.161 24.639 21.589 1.00 0.00 H +ATOM 514 H6 HMW A 43 10.317 22.361 22.627 1.00 0.00 H +ATOM 515 H7 HMW A 43 11.293 23.089 23.919 1.00 0.00 H +ATOM 516 H8 HMW A 43 12.149 22.746 21.204 1.00 0.00 H +ATOM 517 C1 HMW A 44 7.877 14.349 18.174 1.00 0.00 C +ATOM 518 C2 HMW A 44 9.037 13.421 17.862 1.00 0.00 C +ATOM 519 C3 HMW A 44 8.636 12.556 16.663 1.00 0.00 C +ATOM 520 O1 HMW A 44 7.517 11.813 16.937 1.00 0.00 O +ATOM 521 H1 HMW A 44 7.802 15.038 17.319 1.00 0.00 H +ATOM 522 H2 HMW A 44 6.948 13.772 18.347 1.00 0.00 H +ATOM 523 H3 HMW A 44 8.101 14.882 19.114 1.00 0.00 H +ATOM 524 H4 HMW A 44 9.910 14.032 17.649 1.00 0.00 H +ATOM 525 H5 HMW A 44 9.247 12.744 18.698 1.00 0.00 H +ATOM 526 H6 HMW A 44 9.517 12.010 16.315 1.00 0.00 H +ATOM 527 H7 HMW A 44 8.364 13.281 15.862 1.00 0.00 H +ATOM 528 H8 HMW A 44 7.701 10.903 17.320 1.00 0.00 H +ATOM 529 C1 HMW A 45 23.856 11.812 25.206 1.00 0.00 C +ATOM 530 C2 HMW A 45 25.037 12.562 24.617 1.00 0.00 C +ATOM 531 C3 HMW A 45 24.876 14.043 24.971 1.00 0.00 C +ATOM 532 O1 HMW A 45 23.711 14.553 24.461 1.00 0.00 O +ATOM 533 H1 HMW A 45 23.972 11.873 26.298 1.00 0.00 H +ATOM 534 H2 HMW A 45 22.900 12.242 24.847 1.00 0.00 H +ATOM 535 H3 HMW A 45 23.891 10.770 24.846 1.00 0.00 H +ATOM 536 H4 HMW A 45 25.947 12.139 25.036 1.00 0.00 H +ATOM 537 H5 HMW A 45 25.057 12.486 23.524 1.00 0.00 H +ATOM 538 H6 HMW A 45 25.799 14.568 24.711 1.00 0.00 H +ATOM 539 H7 HMW A 45 24.790 14.067 26.082 1.00 0.00 H +ATOM 540 H8 HMW A 45 23.794 14.954 23.543 1.00 0.00 H +ATOM 541 C1 HMW A 46 16.249 6.458 21.664 1.00 0.00 C +ATOM 542 C2 HMW A 46 15.233 5.360 21.928 1.00 0.00 C +ATOM 543 C3 HMW A 46 15.950 4.227 22.668 1.00 0.00 C +ATOM 544 O1 HMW A 46 16.985 3.722 21.924 1.00 0.00 O +ATOM 545 H1 HMW A 46 16.517 6.866 22.650 1.00 0.00 H +ATOM 546 H2 HMW A 46 17.120 6.061 21.108 1.00 0.00 H +ATOM 547 H3 HMW A 46 15.778 7.218 21.018 1.00 0.00 H +ATOM 548 H4 HMW A 46 14.425 5.784 22.518 1.00 0.00 H +ATOM 549 H5 HMW A 46 14.839 4.944 20.994 1.00 0.00 H +ATOM 550 H6 HMW A 46 15.202 3.511 23.020 1.00 0.00 H +ATOM 551 H7 HMW A 46 16.394 4.706 23.570 1.00 0.00 H +ATOM 552 H8 HMW A 46 16.738 2.952 21.328 1.00 0.00 H +ATOM 553 C1 HMW A 47 14.336 13.491 18.470 1.00 0.00 C +ATOM 554 C2 HMW A 47 13.027 13.522 17.702 1.00 0.00 C +ATOM 555 C3 HMW A 47 12.622 12.075 17.409 1.00 0.00 C +ATOM 556 O1 HMW A 47 13.574 11.432 16.661 1.00 0.00 O +ATOM 557 H1 HMW A 47 14.105 13.041 19.446 1.00 0.00 H +ATOM 558 H2 HMW A 47 15.108 12.931 17.907 1.00 0.00 H +ATOM 559 H3 HMW A 47 14.705 14.526 18.570 1.00 0.00 H +ATOM 560 H4 HMW A 47 12.290 14.035 18.314 1.00 0.00 H +ATOM 561 H5 HMW A 47 13.137 14.033 16.739 1.00 0.00 H +ATOM 562 H6 HMW A 47 11.601 12.070 17.016 1.00 0.00 H +ATOM 563 H7 HMW A 47 12.590 11.575 18.404 1.00 0.00 H +ATOM 564 H8 HMW A 47 13.441 11.495 15.667 1.00 0.00 H +ATOM 565 C1 HMW A 48 5.204 16.183 22.492 1.00 0.00 C +ATOM 566 C2 HMW A 48 3.895 15.911 21.773 1.00 0.00 C +ATOM 567 C3 HMW A 48 3.980 14.510 21.159 1.00 0.00 C +ATOM 568 O1 HMW A 48 5.017 14.419 20.268 1.00 0.00 O +ATOM 569 H1 HMW A 48 5.234 15.484 23.341 1.00 0.00 H +ATOM 570 H2 HMW A 48 6.063 16.063 21.802 1.00 0.00 H +ATOM 571 H3 HMW A 48 5.207 17.235 22.823 1.00 0.00 H +ATOM 572 H4 HMW A 48 3.090 15.989 22.499 1.00 0.00 H +ATOM 573 H5 HMW A 48 3.731 16.619 20.953 1.00 0.00 H +ATOM 574 H6 HMW A 48 2.989 14.228 20.791 1.00 0.00 H +ATOM 575 H7 HMW A 48 4.215 13.834 22.012 1.00 0.00 H +ATOM 576 H8 HMW A 48 4.776 14.639 19.318 1.00 0.00 H +ATOM 577 C1 HMW A 49 3.918 22.153 9.855 1.00 0.00 C +ATOM 578 C2 HMW A 49 3.342 22.447 8.481 1.00 0.00 C +ATOM 579 C3 HMW A 49 4.476 22.980 7.602 1.00 0.00 C +ATOM 580 O1 HMW A 49 5.016 24.126 8.126 1.00 0.00 O +ATOM 581 H1 HMW A 49 4.613 21.311 9.718 1.00 0.00 H +ATOM 582 H2 HMW A 49 4.406 23.053 10.277 1.00 0.00 H +ATOM 583 H3 HMW A 49 3.087 21.895 10.533 1.00 0.00 H +ATOM 584 H4 HMW A 49 2.921 21.525 8.089 1.00 0.00 H +ATOM 585 H5 HMW A 49 2.569 23.223 8.527 1.00 0.00 H +ATOM 586 H6 HMW A 49 4.124 23.030 6.568 1.00 0.00 H +ATOM 587 H7 HMW A 49 5.266 22.196 7.640 1.00 0.00 H +ATOM 588 H8 HMW A 49 4.590 24.977 7.803 1.00 0.00 H +ATOM 589 C1 HMW A 50 22.952 16.642 9.466 1.00 0.00 C +ATOM 590 C2 HMW A 50 23.404 15.295 8.930 1.00 0.00 C +ATOM 591 C3 HMW A 50 24.645 14.869 9.721 1.00 0.00 C +ATOM 592 O1 HMW A 50 25.660 15.779 9.583 1.00 0.00 O +ATOM 593 H1 HMW A 50 22.604 16.458 10.493 1.00 0.00 H +ATOM 594 H2 HMW A 50 23.775 17.381 9.413 1.00 0.00 H +ATOM 595 H3 HMW A 50 22.143 17.020 8.818 1.00 0.00 H +ATOM 596 H4 HMW A 50 22.583 14.593 9.050 1.00 0.00 H +ATOM 597 H5 HMW A 50 23.694 15.358 7.875 1.00 0.00 H +ATOM 598 H6 HMW A 50 24.878 13.829 9.472 1.00 0.00 H +ATOM 599 H7 HMW A 50 24.327 14.885 10.788 1.00 0.00 H +ATOM 600 H8 HMW A 50 26.288 15.596 8.821 1.00 0.00 H +ATOM 601 C1 HMW A 51 10.073 27.753 4.222 1.00 0.00 C +ATOM 602 C2 HMW A 51 11.454 27.570 3.619 1.00 0.00 C +ATOM 603 C3 HMW A 51 11.278 26.997 2.210 1.00 0.00 C +ATOM 604 O1 HMW A 51 10.629 25.790 2.240 1.00 0.00 O +ATOM 605 H1 HMW A 51 9.588 28.546 3.635 1.00 0.00 H +ATOM 606 H2 HMW A 51 9.509 26.799 4.209 1.00 0.00 H +ATOM 607 H3 HMW A 51 10.191 28.038 5.282 1.00 0.00 H +ATOM 608 H4 HMW A 51 11.946 28.538 3.607 1.00 0.00 H +ATOM 609 H5 HMW A 51 12.051 26.852 4.192 1.00 0.00 H +ATOM 610 H6 HMW A 51 12.243 27.024 1.698 1.00 0.00 H +ATOM 611 H7 HMW A 51 10.610 27.719 1.686 1.00 0.00 H +ATOM 612 H8 HMW A 51 11.233 24.990 2.309 1.00 0.00 H +ATOM 613 C1 HMW A 52 4.357 3.597 18.757 1.00 0.00 C +ATOM 614 C2 HMW A 52 5.240 4.671 19.366 1.00 0.00 C +ATOM 615 C3 HMW A 52 6.565 4.678 18.598 1.00 0.00 C +ATOM 616 O1 HMW A 52 7.197 3.465 18.683 1.00 0.00 O +ATOM 617 H1 HMW A 52 4.113 3.944 17.742 1.00 0.00 H +ATOM 618 H2 HMW A 52 4.869 2.614 18.767 1.00 0.00 H +ATOM 619 H3 HMW A 52 3.455 3.491 19.384 1.00 0.00 H +ATOM 620 H4 HMW A 52 4.717 5.620 19.286 1.00 0.00 H +ATOM 621 H5 HMW A 52 5.470 4.455 20.415 1.00 0.00 H +ATOM 622 H6 HMW A 52 7.141 5.556 18.903 1.00 0.00 H +ATOM 623 H7 HMW A 52 6.281 4.829 17.532 1.00 0.00 H +ATOM 624 H8 HMW A 52 7.836 3.377 19.454 1.00 0.00 H +ATOM 625 C1 HMW A 53 27.202 2.000 8.711 1.00 0.00 C +ATOM 626 C2 HMW A 53 26.391 3.097 9.378 1.00 0.00 C +ATOM 627 C3 HMW A 53 26.534 4.365 8.532 1.00 0.00 C +ATOM 628 O1 HMW A 53 27.844 4.757 8.439 1.00 0.00 O +ATOM 629 H1 HMW A 53 26.694 1.784 7.760 1.00 0.00 H +ATOM 630 H2 HMW A 53 28.255 2.316 8.578 1.00 0.00 H +ATOM 631 H3 HMW A 53 27.215 1.122 9.380 1.00 0.00 H +ATOM 632 H4 HMW A 53 25.359 2.762 9.440 1.00 0.00 H +ATOM 633 H5 HMW A 53 26.772 3.327 10.380 1.00 0.00 H +ATOM 634 H6 HMW A 53 25.821 5.111 8.895 1.00 0.00 H +ATOM 635 H7 HMW A 53 26.204 4.070 7.510 1.00 0.00 H +ATOM 636 H8 HMW A 53 28.142 5.400 9.152 1.00 0.00 H +ATOM 637 C1 HMW A 54 15.530 18.105 6.537 1.00 0.00 C +ATOM 638 C2 HMW A 54 14.062 18.074 6.923 1.00 0.00 C +ATOM 639 C3 HMW A 54 13.706 16.631 7.292 1.00 0.00 C +ATOM 640 O1 HMW A 54 13.919 15.780 6.240 1.00 0.00 O +ATOM 641 H1 HMW A 54 16.090 17.884 7.458 1.00 0.00 H +ATOM 642 H2 HMW A 54 15.737 17.385 5.721 1.00 0.00 H +ATOM 643 H3 HMW A 54 15.765 19.108 6.143 1.00 0.00 H +ATOM 644 H4 HMW A 54 13.919 18.755 7.757 1.00 0.00 H +ATOM 645 H5 HMW A 54 13.419 18.366 6.085 1.00 0.00 H +ATOM 646 H6 HMW A 54 12.707 16.620 7.740 1.00 0.00 H +ATOM 647 H7 HMW A 54 14.425 16.351 8.096 1.00 0.00 H +ATOM 648 H8 HMW A 54 13.124 15.646 5.639 1.00 0.00 H +ATOM 649 C1 HMW A 55 11.192 5.351 9.853 1.00 0.00 C +ATOM 650 C2 HMW A 55 11.169 6.286 8.656 1.00 0.00 C +ATOM 651 C3 HMW A 55 11.189 5.425 7.390 1.00 0.00 C +ATOM 652 O1 HMW A 55 12.314 4.644 7.336 1.00 0.00 O +ATOM 653 H1 HMW A 55 10.232 4.816 9.838 1.00 0.00 H +ATOM 654 H2 HMW A 55 12.067 4.673 9.803 1.00 0.00 H +ATOM 655 H3 HMW A 55 11.312 5.959 10.766 1.00 0.00 H +ATOM 656 H4 HMW A 55 10.270 6.893 8.722 1.00 0.00 H +ATOM 657 H5 HMW A 55 12.055 6.929 8.630 1.00 0.00 H +ATOM 658 H6 HMW A 55 10.994 6.068 6.526 1.00 0.00 H +ATOM 659 H7 HMW A 55 10.315 4.741 7.490 1.00 0.00 H +ATOM 660 H8 HMW A 55 13.095 5.063 6.863 1.00 0.00 H +ATOM 661 C1 HMW A 56 11.849 18.747 4.062 1.00 0.00 C +ATOM 662 C2 HMW A 56 12.778 18.379 2.919 1.00 0.00 C +ATOM 663 C3 HMW A 56 14.151 18.058 3.516 1.00 0.00 C +ATOM 664 O1 HMW A 56 14.665 19.134 4.192 1.00 0.00 O +ATOM 665 H1 HMW A 56 11.713 17.828 4.650 1.00 0.00 H +ATOM 666 H2 HMW A 56 12.270 19.582 4.656 1.00 0.00 H +ATOM 667 H3 HMW A 56 10.898 19.108 3.636 1.00 0.00 H +ATOM 668 H4 HMW A 56 12.350 17.526 2.399 1.00 0.00 H +ATOM 669 H5 HMW A 56 12.910 19.215 2.223 1.00 0.00 H +ATOM 670 H6 HMW A 56 14.780 17.623 2.733 1.00 0.00 H +ATOM 671 H7 HMW A 56 13.961 17.256 4.265 1.00 0.00 H +ATOM 672 H8 HMW A 56 15.235 19.747 3.637 1.00 0.00 H +ATOM 673 C1 HMW A 57 6.436 21.529 3.100 1.00 0.00 C +ATOM 674 C2 HMW A 57 5.284 20.714 2.538 1.00 0.00 C +ATOM 675 C3 HMW A 57 5.222 20.970 1.030 1.00 0.00 C +ATOM 676 O1 HMW A 57 5.019 22.297 0.757 1.00 0.00 O +ATOM 677 H1 HMW A 57 7.352 21.085 2.683 1.00 0.00 H +ATOM 678 H2 HMW A 57 6.319 22.601 2.846 1.00 0.00 H +ATOM 679 H3 HMW A 57 6.407 21.458 4.201 1.00 0.00 H +ATOM 680 H4 HMW A 57 5.469 19.668 2.768 1.00 0.00 H +ATOM 681 H5 HMW A 57 4.324 21.028 2.963 1.00 0.00 H +ATOM 682 H6 HMW A 57 4.518 20.262 0.583 1.00 0.00 H +ATOM 683 H7 HMW A 57 6.235 20.705 0.649 1.00 0.00 H +ATOM 684 H8 HMW A 57 4.054 22.566 0.673 1.00 0.00 H +ATOM 685 C1 HMW A 58 1.529 12.398 22.332 1.00 0.00 C +ATOM 686 C2 HMW A 58 0.911 11.314 23.197 1.00 0.00 C +ATOM 687 C3 HMW A 58 0.639 11.917 24.578 1.00 0.00 C +ATOM 688 O1 HMW A 58 1.795 12.363 25.163 1.00 0.00 O +ATOM 689 H1 HMW A 58 0.742 13.151 22.181 1.00 0.00 H +ATOM 690 H2 HMW A 58 2.438 12.811 22.811 1.00 0.00 H +ATOM 691 H3 HMW A 58 1.851 11.942 21.380 1.00 0.00 H +ATOM 692 H4 HMW A 58 -0.002 10.977 22.712 1.00 0.00 H +ATOM 693 H5 HMW A 58 1.596 10.471 23.336 1.00 0.00 H +ATOM 694 H6 HMW A 58 0.036 11.210 25.156 1.00 0.00 H +ATOM 695 H7 HMW A 58 -0.000 12.808 24.385 1.00 0.00 H +ATOM 696 H8 HMW A 58 2.266 11.685 25.736 1.00 0.00 H +ATOM 697 C1 HMW A 59 14.660 16.477 13.542 1.00 0.00 C +ATOM 698 C2 HMW A 59 15.171 17.842 13.117 1.00 0.00 C +ATOM 699 C3 HMW A 59 16.583 17.658 12.553 1.00 0.00 C +ATOM 700 O1 HMW A 59 17.429 17.126 13.491 1.00 0.00 O +ATOM 701 H1 HMW A 59 14.539 15.896 12.615 1.00 0.00 H +ATOM 702 H2 HMW A 59 15.356 16.004 14.262 1.00 0.00 H +ATOM 703 H3 HMW A 59 13.701 16.614 14.070 1.00 0.00 H +ATOM 704 H4 HMW A 59 14.485 18.242 12.375 1.00 0.00 H +ATOM 705 H5 HMW A 59 15.245 18.527 13.968 1.00 0.00 H +ATOM 706 H6 HMW A 59 16.896 18.594 12.082 1.00 0.00 H +ATOM 707 H7 HMW A 59 16.474 16.905 11.739 1.00 0.00 H +ATOM 708 H8 HMW A 59 17.919 17.804 14.048 1.00 0.00 H +ATOM 709 C1 HMW A 60 27.649 5.156 17.386 1.00 0.00 C +ATOM 710 C2 HMW A 60 26.609 6.197 17.762 1.00 0.00 C +ATOM 711 C3 HMW A 60 27.276 7.573 17.682 1.00 0.00 C +ATOM 712 O1 HMW A 60 28.341 7.662 18.540 1.00 0.00 O +ATOM 713 H1 HMW A 60 27.871 5.320 16.322 1.00 0.00 H +ATOM 714 H2 HMW A 60 28.543 5.243 18.034 1.00 0.00 H +ATOM 715 H3 HMW A 60 27.220 4.155 17.569 1.00 0.00 H +ATOM 716 H4 HMW A 60 25.777 6.106 17.069 1.00 0.00 H +ATOM 717 H5 HMW A 60 26.258 6.062 18.791 1.00 0.00 H +ATOM 718 H6 HMW A 60 26.503 8.342 17.775 1.00 0.00 H +ATOM 719 H7 HMW A 60 27.679 7.640 16.645 1.00 0.00 H +ATOM 720 H8 HMW A 60 28.115 8.009 19.455 1.00 0.00 H +ATOM 721 C1 HMW A 61 12.778 1.409 24.513 1.00 0.00 C +ATOM 722 C2 HMW A 61 11.529 0.783 23.920 1.00 0.00 C +ATOM 723 C3 HMW A 61 10.537 1.911 23.622 1.00 0.00 C +ATOM 724 O1 HMW A 61 10.207 2.599 24.761 1.00 0.00 O +ATOM 725 H1 HMW A 61 13.233 2.002 23.706 1.00 0.00 H +ATOM 726 H2 HMW A 61 12.528 2.014 25.407 1.00 0.00 H +ATOM 727 H3 HMW A 61 13.445 0.598 24.854 1.00 0.00 H +ATOM 728 H4 HMW A 61 11.816 0.246 23.020 1.00 0.00 H +ATOM 729 H5 HMW A 61 11.046 0.101 24.627 1.00 0.00 H +ATOM 730 H6 HMW A 61 9.709 1.503 23.035 1.00 0.00 H +ATOM 731 H7 HMW A 61 11.089 2.616 22.959 1.00 0.00 H +ATOM 732 H8 HMW A 61 9.401 2.244 25.247 1.00 0.00 H +ATOM 733 C1 HMW A 62 22.036 9.871 7.768 1.00 0.00 C +ATOM 734 C2 HMW A 62 23.247 9.016 7.439 1.00 0.00 C +ATOM 735 C3 HMW A 62 22.743 7.630 7.028 1.00 0.00 C +ATOM 736 O1 HMW A 62 22.029 7.039 8.038 1.00 0.00 O +ATOM 737 H1 HMW A 62 21.500 10.016 6.818 1.00 0.00 H +ATOM 738 H2 HMW A 62 21.414 9.387 8.547 1.00 0.00 H +ATOM 739 H3 HMW A 62 22.389 10.826 8.191 1.00 0.00 H +ATOM 740 H4 HMW A 62 23.795 9.504 6.638 1.00 0.00 H +ATOM 741 H5 HMW A 62 23.895 8.884 8.312 1.00 0.00 H +ATOM 742 H6 HMW A 62 23.583 7.059 6.620 1.00 0.00 H +ATOM 743 H7 HMW A 62 22.037 7.815 6.187 1.00 0.00 H +ATOM 744 H8 HMW A 62 22.574 6.473 8.663 1.00 0.00 H +ATOM 745 C1 HMW A 63 24.178 6.371 3.024 1.00 0.00 C +ATOM 746 C2 HMW A 63 24.342 7.839 2.673 1.00 0.00 C +ATOM 747 C3 HMW A 63 23.005 8.536 2.939 1.00 0.00 C +ATOM 748 O1 HMW A 63 22.001 7.995 2.179 1.00 0.00 O +ATOM 749 H1 HMW A 63 24.032 6.334 4.114 1.00 0.00 H +ATOM 750 H2 HMW A 63 23.336 5.924 2.459 1.00 0.00 H +ATOM 751 H3 HMW A 63 25.090 5.835 2.712 1.00 0.00 H +ATOM 752 H4 HMW A 63 25.142 8.244 3.288 1.00 0.00 H +ATOM 753 H5 HMW A 63 24.578 7.975 1.612 1.00 0.00 H +ATOM 754 H6 HMW A 63 23.153 9.617 2.862 1.00 0.00 H +ATOM 755 H7 HMW A 63 22.770 8.314 4.005 1.00 0.00 H +ATOM 756 H8 HMW A 63 21.864 8.437 1.287 1.00 0.00 H +ATOM 757 C1 HMW A 64 15.290 5.486 8.615 1.00 0.00 C +ATOM 758 C2 HMW A 64 16.643 5.553 9.302 1.00 0.00 C +ATOM 759 C3 HMW A 64 17.588 4.598 8.567 1.00 0.00 C +ATOM 760 O1 HMW A 64 17.122 3.310 8.602 1.00 0.00 O +ATOM 761 H1 HMW A 64 15.436 5.920 7.615 1.00 0.00 H +ATOM 762 H2 HMW A 64 14.916 4.444 8.585 1.00 0.00 H +ATOM 763 H3 HMW A 64 14.567 6.066 9.214 1.00 0.00 H +ATOM 764 H4 HMW A 64 16.990 6.582 9.261 1.00 0.00 H +ATOM 765 H5 HMW A 64 16.582 5.217 10.343 1.00 0.00 H +ATOM 766 H6 HMW A 64 18.606 4.763 8.933 1.00 0.00 H +ATOM 767 H7 HMW A 64 17.566 4.930 7.504 1.00 0.00 H +ATOM 768 H8 HMW A 64 17.447 2.766 9.382 1.00 0.00 H +ATOM 769 C1 HMW A 65 21.434 23.314 11.965 1.00 0.00 C +ATOM 770 C2 HMW A 65 20.584 22.235 11.319 1.00 0.00 C +ATOM 771 C3 HMW A 65 20.609 21.007 12.234 1.00 0.00 C +ATOM 772 O1 HMW A 65 21.886 20.540 12.406 1.00 0.00 O +ATOM 773 H1 HMW A 65 20.902 23.611 12.881 1.00 0.00 H +ATOM 774 H2 HMW A 65 22.458 22.941 12.162 1.00 0.00 H +ATOM 775 H3 HMW A 65 21.532 24.152 11.254 1.00 0.00 H +ATOM 776 H4 HMW A 65 19.579 22.629 11.193 1.00 0.00 H +ATOM 777 H5 HMW A 65 20.991 21.928 10.349 1.00 0.00 H +ATOM 778 H6 HMW A 65 19.866 20.289 11.877 1.00 0.00 H +ATOM 779 H7 HMW A 65 20.256 21.377 13.224 1.00 0.00 H +ATOM 780 H8 HMW A 65 22.172 19.843 11.741 1.00 0.00 H +ATOM 781 C1 HMW A 66 1.900 7.527 20.782 1.00 0.00 C +ATOM 782 C2 HMW A 66 2.563 6.280 21.340 1.00 0.00 C +ATOM 783 C3 HMW A 66 1.715 5.786 22.516 1.00 0.00 C +ATOM 784 O1 HMW A 66 1.627 6.735 23.501 1.00 0.00 O +ATOM 785 H1 HMW A 66 0.947 7.194 20.346 1.00 0.00 H +ATOM 786 H2 HMW A 66 1.770 8.291 21.574 1.00 0.00 H +ATOM 787 H3 HMW A 66 2.570 7.967 20.024 1.00 0.00 H +ATOM 788 H4 HMW A 66 2.621 5.545 20.542 1.00 0.00 H +ATOM 789 H5 HMW A 66 3.565 6.496 21.727 1.00 0.00 H +ATOM 790 H6 HMW A 66 2.076 4.798 22.816 1.00 0.00 H +ATOM 791 H7 HMW A 66 0.692 5.647 22.097 1.00 0.00 H +ATOM 792 H8 HMW A 66 2.340 6.677 24.206 1.00 0.00 H +ATOM 793 C1 HMW A 67 4.108 27.475 12.948 1.00 0.00 C +ATOM 794 C2 HMW A 67 5.101 26.713 13.807 1.00 0.00 C +ATOM 795 C3 HMW A 67 4.869 25.217 13.575 1.00 0.00 C +ATOM 796 O1 HMW A 67 3.593 24.851 13.918 1.00 0.00 O +ATOM 797 H1 HMW A 67 4.401 27.285 11.905 1.00 0.00 H +ATOM 798 H2 HMW A 67 3.070 27.158 13.171 1.00 0.00 H +ATOM 799 H3 HMW A 67 4.175 28.546 13.206 1.00 0.00 H +ATOM 800 H4 HMW A 67 6.102 27.020 13.517 1.00 0.00 H +ATOM 801 H5 HMW A 67 4.942 26.908 14.874 1.00 0.00 H +ATOM 802 H6 HMW A 67 5.684 24.660 14.046 1.00 0.00 H +ATOM 803 H7 HMW A 67 4.970 25.075 12.475 1.00 0.00 H +ATOM 804 H8 HMW A 67 3.484 24.551 14.871 1.00 0.00 H +ATOM 805 C1 HMW A 68 18.781 12.390 2.906 1.00 0.00 C +ATOM 806 C2 HMW A 68 20.139 11.718 3.010 1.00 0.00 C +ATOM 807 C3 HMW A 68 20.110 10.790 4.228 1.00 0.00 C +ATOM 808 O1 HMW A 68 19.858 11.489 5.380 1.00 0.00 O +ATOM 809 H1 HMW A 68 18.066 11.592 2.659 1.00 0.00 H +ATOM 810 H2 HMW A 68 18.533 12.919 3.848 1.00 0.00 H +ATOM 811 H3 HMW A 68 18.833 13.157 2.115 1.00 0.00 H +ATOM 812 H4 HMW A 68 20.315 11.172 2.087 1.00 0.00 H +ATOM 813 H5 HMW A 68 20.939 12.448 3.173 1.00 0.00 H +ATOM 814 H6 HMW A 68 21.010 10.169 4.216 1.00 0.00 H +ATOM 815 H7 HMW A 68 19.244 10.112 4.056 1.00 0.00 H +ATOM 816 H8 HMW A 68 20.677 11.819 5.860 1.00 0.00 H +ATOM 817 C1 HMW A 69 18.645 21.234 9.127 1.00 0.00 C +ATOM 818 C2 HMW A 69 17.713 20.405 8.262 1.00 0.00 C +ATOM 819 C3 HMW A 69 16.289 20.598 8.791 1.00 0.00 C +ATOM 820 O1 HMW A 69 16.182 20.191 10.095 1.00 0.00 O +ATOM 821 H1 HMW A 69 18.391 22.285 8.927 1.00 0.00 H +ATOM 822 H2 HMW A 69 18.538 20.959 10.195 1.00 0.00 H +ATOM 823 H3 HMW A 69 19.685 21.000 8.841 1.00 0.00 H +ATOM 824 H4 HMW A 69 17.816 20.746 7.235 1.00 0.00 H +ATOM 825 H5 HMW A 69 17.946 19.337 8.329 1.00 0.00 H +ATOM 826 H6 HMW A 69 15.588 20.154 8.078 1.00 0.00 H +ATOM 827 H7 HMW A 69 16.119 21.699 8.772 1.00 0.00 H +ATOM 828 H8 HMW A 69 15.919 19.229 10.216 1.00 0.00 H +ATOM 829 C1 HMW A 70 19.075 19.600 17.642 1.00 0.00 C +ATOM 830 C2 HMW A 70 20.074 19.849 16.526 1.00 0.00 C +ATOM 831 C3 HMW A 70 21.090 18.704 16.543 1.00 0.00 C +ATOM 832 O1 HMW A 70 21.751 18.642 17.742 1.00 0.00 O +ATOM 833 H1 HMW A 70 18.515 18.699 17.353 1.00 0.00 H +ATOM 834 H2 HMW A 70 19.593 19.495 18.616 1.00 0.00 H +ATOM 835 H3 HMW A 70 18.419 20.484 17.725 1.00 0.00 H +ATOM 836 H4 HMW A 70 19.526 19.894 15.588 1.00 0.00 H +ATOM 837 H5 HMW A 70 20.628 20.782 16.682 1.00 0.00 H +ATOM 838 H6 HMW A 70 21.708 18.770 15.643 1.00 0.00 H +ATOM 839 H7 HMW A 70 20.482 17.775 16.453 1.00 0.00 H +ATOM 840 H8 HMW A 70 22.602 19.176 17.781 1.00 0.00 H +ATOM 841 C1 HMW A 71 14.112 18.852 16.422 1.00 0.00 C +ATOM 842 C2 HMW A 71 12.921 19.186 17.301 1.00 0.00 C +ATOM 843 C3 HMW A 71 12.583 17.941 18.126 1.00 0.00 C +ATOM 844 O1 HMW A 71 12.271 16.878 17.318 1.00 0.00 O +ATOM 845 H1 HMW A 71 14.962 18.706 17.105 1.00 0.00 H +ATOM 846 H2 HMW A 71 13.901 17.963 15.796 1.00 0.00 H +ATOM 847 H3 HMW A 71 14.280 19.695 15.730 1.00 0.00 H +ATOM 848 H4 HMW A 71 13.193 20.030 17.930 1.00 0.00 H +ATOM 849 H5 HMW A 71 12.036 19.434 16.704 1.00 0.00 H +ATOM 850 H6 HMW A 71 11.847 18.214 18.887 1.00 0.00 H +ATOM 851 H7 HMW A 71 13.526 17.683 18.661 1.00 0.00 H +ATOM 852 H8 HMW A 71 11.294 16.792 17.096 1.00 0.00 H +ATOM 853 C1 HMW A 72 2.995 6.403 16.108 1.00 0.00 C +ATOM 854 C2 HMW A 72 3.614 7.680 15.567 1.00 0.00 C +ATOM 855 C3 HMW A 72 4.933 7.308 14.884 1.00 0.00 C +ATOM 856 O1 HMW A 72 5.802 6.718 15.765 1.00 0.00 O +ATOM 857 H1 HMW A 72 2.719 5.804 15.228 1.00 0.00 H +ATOM 858 H2 HMW A 72 3.701 5.880 16.783 1.00 0.00 H +ATOM 859 H3 HMW A 72 2.115 6.673 16.715 1.00 0.00 H +ATOM 860 H4 HMW A 72 2.908 8.128 14.873 1.00 0.00 H +ATOM 861 H5 HMW A 72 3.849 8.385 16.372 1.00 0.00 H +ATOM 862 H6 HMW A 72 5.303 8.181 14.339 1.00 0.00 H +ATOM 863 H7 HMW A 72 4.660 6.541 14.124 1.00 0.00 H +ATOM 864 H8 HMW A 72 6.418 7.355 16.238 1.00 0.00 H +ATOM 865 C1 HMW A 73 7.041 1.527 23.081 1.00 0.00 C +ATOM 866 C2 HMW A 73 6.000 0.642 22.419 1.00 0.00 C +ATOM 867 C3 HMW A 73 4.983 1.553 21.725 1.00 0.00 C +ATOM 868 O1 HMW A 73 4.368 2.387 22.623 1.00 0.00 O +ATOM 869 H1 HMW A 73 7.587 2.018 22.262 1.00 0.00 H +ATOM 870 H2 HMW A 73 6.560 2.246 23.774 1.00 0.00 H +ATOM 871 H3 HMW A 73 7.701 0.890 23.693 1.00 0.00 H +ATOM 872 H4 HMW A 73 6.512 -0.008 21.714 1.00 0.00 H +ATOM 873 H5 HMW A 73 5.455 0.042 23.155 1.00 0.00 H +ATOM 874 H6 HMW A 73 4.332 0.937 21.099 1.00 0.00 H +ATOM 875 H7 HMW A 73 5.586 2.191 21.040 1.00 0.00 H +ATOM 876 H8 HMW A 73 3.520 2.023 23.022 1.00 0.00 H +ATOM 877 C1 HMW A 74 27.984 11.207 15.416 1.00 0.00 C +ATOM 878 C2 HMW A 74 26.559 10.786 15.729 1.00 0.00 C +ATOM 879 C3 HMW A 74 25.740 10.912 14.442 1.00 0.00 C +ATOM 880 O1 HMW A 74 25.743 12.200 13.973 1.00 0.00 O +ATOM 881 H1 HMW A 74 28.382 10.443 14.731 1.00 0.00 H +ATOM 882 H2 HMW A 74 28.006 12.228 14.986 1.00 0.00 H +ATOM 883 H3 HMW A 74 28.551 11.248 16.362 1.00 0.00 H +ATOM 884 H4 HMW A 74 26.584 9.764 16.098 1.00 0.00 H +ATOM 885 H5 HMW A 74 26.100 11.444 16.476 1.00 0.00 H +ATOM 886 H6 HMW A 74 24.762 10.449 14.602 1.00 0.00 H +ATOM 887 H7 HMW A 74 26.278 10.286 13.693 1.00 0.00 H +ATOM 888 H8 HMW A 74 24.989 12.772 14.312 1.00 0.00 H +ATOM 889 C1 HMW A 75 9.666 20.602 1.462 1.00 0.00 C +ATOM 890 C2 HMW A 75 10.645 21.599 2.055 1.00 0.00 C +ATOM 891 C3 HMW A 75 9.841 22.614 2.873 1.00 0.00 C +ATOM 892 O1 HMW A 75 8.932 23.277 2.091 1.00 0.00 O +ATOM 893 H1 HMW A 75 9.252 20.040 2.313 1.00 0.00 H +ATOM 894 H2 HMW A 75 8.889 21.120 0.867 1.00 0.00 H +ATOM 895 H3 HMW A 75 10.216 19.947 0.765 1.00 0.00 H +ATOM 896 H4 HMW A 75 11.354 21.050 2.669 1.00 0.00 H +ATOM 897 H5 HMW A 75 11.176 22.155 1.274 1.00 0.00 H +ATOM 898 H6 HMW A 75 10.538 23.231 3.448 1.00 0.00 H +ATOM 899 H7 HMW A 75 9.265 22.004 3.606 1.00 0.00 H +ATOM 900 H8 HMW A 75 9.272 24.128 1.680 1.00 0.00 H +ATOM 901 C1 HMW A 76 20.052 17.141 1.670 1.00 0.00 C +ATOM 902 C2 HMW A 76 19.227 16.600 2.824 1.00 0.00 C +ATOM 903 C3 HMW A 76 17.957 17.448 2.930 1.00 0.00 C +ATOM 904 O1 HMW A 76 18.255 18.766 3.160 1.00 0.00 O +ATOM 905 H1 HMW A 76 19.474 16.929 0.759 1.00 0.00 H +ATOM 906 H2 HMW A 76 20.262 18.219 1.810 1.00 0.00 H +ATOM 907 H3 HMW A 76 21.027 16.625 1.669 1.00 0.00 H +ATOM 908 H4 HMW A 76 19.004 15.556 2.618 1.00 0.00 H +ATOM 909 H5 HMW A 76 19.761 16.689 3.777 1.00 0.00 H +ATOM 910 H6 HMW A 76 17.272 16.968 3.635 1.00 0.00 H +ATOM 911 H7 HMW A 76 17.483 17.387 1.923 1.00 0.00 H +ATOM 912 H8 HMW A 76 18.306 19.022 4.131 1.00 0.00 H +ATOM 913 C1 HMW A 77 25.839 26.341 2.061 1.00 0.00 C +ATOM 914 C2 HMW A 77 24.535 26.920 1.542 1.00 0.00 C +ATOM 915 C3 HMW A 77 23.412 25.944 1.903 1.00 0.00 C +ATOM 916 O1 HMW A 77 23.621 24.713 1.337 1.00 0.00 O +ATOM 917 H1 HMW A 77 25.765 26.362 3.158 1.00 0.00 H +ATOM 918 H2 HMW A 77 26.004 25.322 1.657 1.00 0.00 H +ATOM 919 H3 HMW A 77 26.669 26.967 1.692 1.00 0.00 H +ATOM 920 H4 HMW A 77 24.393 27.894 2.003 1.00 0.00 H +ATOM 921 H5 HMW A 77 24.545 27.020 0.450 1.00 0.00 H +ATOM 922 H6 HMW A 77 22.451 26.424 1.696 1.00 0.00 H +ATOM 923 H7 HMW A 77 23.482 25.817 3.007 1.00 0.00 H +ATOM 924 H8 HMW A 77 23.209 24.591 0.429 1.00 0.00 H +ATOM 925 C1 HMW A 78 25.030 7.847 23.431 1.00 0.00 C +ATOM 926 C2 HMW A 78 26.011 8.869 22.883 1.00 0.00 C +ATOM 927 C3 HMW A 78 27.259 8.116 22.415 1.00 0.00 C +ATOM 928 O1 HMW A 78 27.844 7.429 23.447 1.00 0.00 O +ATOM 929 H1 HMW A 78 24.710 7.242 22.569 1.00 0.00 H +ATOM 930 H2 HMW A 78 25.499 7.243 24.233 1.00 0.00 H +ATOM 931 H3 HMW A 78 24.186 8.387 23.891 1.00 0.00 H +ATOM 932 H4 HMW A 78 25.525 9.398 22.068 1.00 0.00 H +ATOM 933 H5 HMW A 78 26.327 9.578 23.657 1.00 0.00 H +ATOM 934 H6 HMW A 78 27.898 8.808 21.860 1.00 0.00 H +ATOM 935 H7 HMW A 78 26.886 7.361 21.685 1.00 0.00 H +ATOM 936 H8 HMW A 78 28.546 7.944 23.950 1.00 0.00 H +ATOM 937 C1 HMW A 79 23.627 12.715 16.495 1.00 0.00 C +ATOM 938 C2 HMW A 79 22.619 13.850 16.463 1.00 0.00 C +ATOM 939 C3 HMW A 79 22.900 14.690 15.214 1.00 0.00 C +ATOM 940 O1 HMW A 79 24.170 15.206 15.236 1.00 0.00 O +ATOM 941 H1 HMW A 79 23.383 12.069 15.639 1.00 0.00 H +ATOM 942 H2 HMW A 79 24.662 13.107 16.461 1.00 0.00 H +ATOM 943 H3 HMW A 79 23.520 12.183 17.456 1.00 0.00 H +ATOM 944 H4 HMW A 79 21.623 13.415 16.446 1.00 0.00 H +ATOM 945 H5 HMW A 79 22.727 14.509 17.332 1.00 0.00 H +ATOM 946 H6 HMW A 79 22.081 15.402 15.079 1.00 0.00 H +ATOM 947 H7 HMW A 79 22.850 13.971 14.364 1.00 0.00 H +ATOM 948 H8 HMW A 79 24.247 16.114 15.660 1.00 0.00 H +ATOM 949 C1 HMW A 80 6.761 14.297 10.747 1.00 0.00 C +ATOM 950 C2 HMW A 80 7.710 13.160 10.413 1.00 0.00 C +ATOM 951 C3 HMW A 80 7.047 12.298 9.335 1.00 0.00 C +ATOM 952 O1 HMW A 80 5.854 11.783 9.772 1.00 0.00 O +ATOM 953 H1 HMW A 80 6.714 14.927 9.847 1.00 0.00 H +ATOM 954 H2 HMW A 80 5.771 13.905 11.054 1.00 0.00 H +ATOM 955 H3 HMW A 80 7.167 14.846 11.614 1.00 0.00 H +ATOM 956 H4 HMW A 80 8.646 13.593 10.070 1.00 0.00 H +ATOM 957 H5 HMW A 80 7.889 12.517 11.282 1.00 0.00 H +ATOM 958 H6 HMW A 80 7.783 11.582 8.958 1.00 0.00 H +ATOM 959 H7 HMW A 80 6.818 13.001 8.502 1.00 0.00 H +ATOM 960 H8 HMW A 80 5.921 10.883 10.215 1.00 0.00 H +ATOM 961 C1 HMW A 81 25.123 1.980 27.857 1.00 0.00 C +ATOM 962 C2 HMW A 81 24.578 0.647 27.378 1.00 0.00 C +ATOM 963 C3 HMW A 81 23.304 0.924 26.574 1.00 0.00 C +ATOM 964 O1 HMW A 81 22.359 1.555 27.340 1.00 0.00 O +ATOM 965 H1 HMW A 81 25.449 2.517 26.954 1.00 0.00 H +ATOM 966 H2 HMW A 81 24.357 2.533 28.436 1.00 0.00 H +ATOM 967 H3 HMW A 81 25.962 1.785 28.546 1.00 0.00 H +ATOM 968 H4 HMW A 81 25.344 0.167 26.774 1.00 0.00 H +ATOM 969 H5 HMW A 81 24.301 -0.000 28.218 1.00 0.00 H +ATOM 970 H6 HMW A 81 22.997 -0.000 26.075 1.00 0.00 H +ATOM 971 H7 HMW A 81 23.614 1.637 25.776 1.00 0.00 H +ATOM 972 H8 HMW A 81 21.724 0.939 27.817 1.00 0.00 H +ATOM 973 C1 HMW A 82 14.272 10.145 9.640 1.00 0.00 C +ATOM 974 C2 HMW A 82 14.299 8.703 10.115 1.00 0.00 C +ATOM 975 C3 HMW A 82 13.658 8.656 11.505 1.00 0.00 C +ATOM 976 O1 HMW A 82 14.341 9.443 12.395 1.00 0.00 O +ATOM 977 H1 HMW A 82 13.212 10.395 9.489 1.00 0.00 H +ATOM 978 H2 HMW A 82 14.774 10.808 10.371 1.00 0.00 H +ATOM 979 H3 HMW A 82 14.849 10.212 8.701 1.00 0.00 H +ATOM 980 H4 HMW A 82 13.753 8.101 9.393 1.00 0.00 H +ATOM 981 H5 HMW A 82 15.325 8.331 10.214 1.00 0.00 H +ATOM 982 H6 HMW A 82 13.509 7.610 11.786 1.00 0.00 H +ATOM 983 H7 HMW A 82 12.647 9.106 11.373 1.00 0.00 H +ATOM 984 H8 HMW A 82 15.071 8.971 12.899 1.00 0.00 H +ATOM 985 C1 HMW A 83 21.032 20.088 21.079 1.00 0.00 C +ATOM 986 C2 HMW A 83 20.940 18.857 21.964 1.00 0.00 C +ATOM 987 C3 HMW A 83 20.587 19.324 23.379 1.00 0.00 C +ATOM 988 O1 HMW A 83 21.541 20.173 23.876 1.00 0.00 O +ATOM 989 H1 HMW A 83 20.011 20.493 21.015 1.00 0.00 H +ATOM 990 H2 HMW A 83 21.761 20.814 21.491 1.00 0.00 H +ATOM 991 H3 HMW A 83 21.415 19.778 20.092 1.00 0.00 H +ATOM 992 H4 HMW A 83 20.179 18.202 21.549 1.00 0.00 H +ATOM 993 H5 HMW A 83 21.899 18.331 22.022 1.00 0.00 H +ATOM 994 H6 HMW A 83 20.344 18.447 23.986 1.00 0.00 H +ATOM 995 H7 HMW A 83 19.648 19.912 23.265 1.00 0.00 H +ATOM 996 H8 HMW A 83 22.279 19.723 24.388 1.00 0.00 H +ATOM 997 C1 HMW A 84 25.959 4.370 24.278 1.00 0.00 C +ATOM 998 C2 HMW A 84 26.050 3.485 23.048 1.00 0.00 C +ATOM 999 C3 HMW A 84 25.409 2.137 23.393 1.00 0.00 C +ATOM 1000 O1 HMW A 84 26.054 1.532 24.440 1.00 0.00 O +ATOM 1001 H1 HMW A 84 24.889 4.576 24.424 1.00 0.00 H +ATOM 1002 H2 HMW A 84 26.429 3.877 25.152 1.00 0.00 H +ATOM 1003 H3 HMW A 84 26.534 5.292 24.086 1.00 0.00 H +ATOM 1004 H4 HMW A 84 25.533 3.986 22.234 1.00 0.00 H +ATOM 1005 H5 HMW A 84 27.092 3.290 22.768 1.00 0.00 H +ATOM 1006 H6 HMW A 84 25.307 1.553 22.473 1.00 0.00 H +ATOM 1007 H7 HMW A 84 24.380 2.386 23.737 1.00 0.00 H +ATOM 1008 H8 HMW A 84 26.804 0.918 24.173 1.00 0.00 H +ATOM 1009 C1 HMW A 85 22.182 23.708 18.460 1.00 0.00 C +ATOM 1010 C2 HMW A 85 21.818 24.216 17.076 1.00 0.00 C +ATOM 1011 C3 HMW A 85 22.859 25.265 16.674 1.00 0.00 C +ATOM 1012 O1 HMW A 85 22.875 26.314 17.556 1.00 0.00 O +ATOM 1013 H1 HMW A 85 23.129 23.161 18.342 1.00 0.00 H +ATOM 1014 H2 HMW A 85 22.253 24.547 19.180 1.00 0.00 H +ATOM 1015 H3 HMW A 85 21.369 23.052 18.814 1.00 0.00 H +ATOM 1016 H4 HMW A 85 21.812 23.367 16.397 1.00 0.00 H +ATOM 1017 H5 HMW A 85 20.839 24.707 17.073 1.00 0.00 H +ATOM 1018 H6 HMW A 85 22.717 25.512 15.618 1.00 0.00 H +ATOM 1019 H7 HMW A 85 23.841 24.746 16.758 1.00 0.00 H +ATOM 1020 H8 HMW A 85 22.262 27.074 17.317 1.00 0.00 H +ATOM 1021 C1 HMW A 86 10.483 20.913 8.685 1.00 0.00 C +ATOM 1022 C2 HMW A 86 11.855 20.273 8.799 1.00 0.00 C +ATOM 1023 C3 HMW A 86 12.363 20.505 10.225 1.00 0.00 C +ATOM 1024 O1 HMW A 86 12.458 21.842 10.509 1.00 0.00 O +ATOM 1025 H1 HMW A 86 9.820 20.327 9.339 1.00 0.00 H +ATOM 1026 H2 HMW A 86 10.525 21.985 8.961 1.00 0.00 H +ATOM 1027 H3 HMW A 86 10.165 20.868 7.630 1.00 0.00 H +ATOM 1028 H4 HMW A 86 11.753 19.215 8.570 1.00 0.00 H +ATOM 1029 H5 HMW A 86 12.574 20.738 8.115 1.00 0.00 H +ATOM 1030 H6 HMW A 86 13.264 19.904 10.378 1.00 0.00 H +ATOM 1031 H7 HMW A 86 11.573 20.081 10.887 1.00 0.00 H +ATOM 1032 H8 HMW A 86 13.351 22.254 10.302 1.00 0.00 H +ATOM 1033 C1 HMW A 87 22.833 9.474 19.395 1.00 0.00 C +ATOM 1034 C2 HMW A 87 22.734 8.889 20.793 1.00 0.00 C +ATOM 1035 C3 HMW A 87 22.254 10.000 21.731 1.00 0.00 C +ATOM 1036 O1 HMW A 87 23.125 11.058 21.739 1.00 0.00 O +ATOM 1037 H1 HMW A 87 21.802 9.700 19.087 1.00 0.00 H +ATOM 1038 H2 HMW A 87 23.493 10.363 19.387 1.00 0.00 H +ATOM 1039 H3 HMW A 87 23.304 8.723 18.737 1.00 0.00 H +ATOM 1040 H4 HMW A 87 22.039 8.055 20.760 1.00 0.00 H +ATOM 1041 H5 HMW A 87 23.711 8.552 21.158 1.00 0.00 H +ATOM 1042 H6 HMW A 87 22.008 9.557 22.701 1.00 0.00 H +ATOM 1043 H7 HMW A 87 21.298 10.362 21.287 1.00 0.00 H +ATOM 1044 H8 HMW A 87 23.843 11.005 22.440 1.00 0.00 H +ATOM 1045 C1 HMW A 88 8.972 22.675 13.448 1.00 0.00 C +ATOM 1046 C2 HMW A 88 7.636 22.535 12.740 1.00 0.00 C +ATOM 1047 C3 HMW A 88 7.847 21.640 11.515 1.00 0.00 C +ATOM 1048 O1 HMW A 88 8.766 22.181 10.654 1.00 0.00 O +ATOM 1049 H1 HMW A 88 9.210 21.677 13.844 1.00 0.00 H +ATOM 1050 H2 HMW A 88 9.745 23.062 12.755 1.00 0.00 H +ATOM 1051 H3 HMW A 88 8.862 23.422 14.252 1.00 0.00 H +ATOM 1052 H4 HMW A 88 6.927 22.105 13.441 1.00 0.00 H +ATOM 1053 H5 HMW A 88 7.269 23.503 12.379 1.00 0.00 H +ATOM 1054 H6 HMW A 88 6.869 21.385 11.096 1.00 0.00 H +ATOM 1055 H7 HMW A 88 8.284 20.698 11.917 1.00 0.00 H +ATOM 1056 H8 HMW A 88 8.377 22.776 9.944 1.00 0.00 H +ATOM 1057 C1 HMW A 89 8.499 6.828 26.016 1.00 0.00 C +ATOM 1058 C2 HMW A 89 9.663 7.531 26.692 1.00 0.00 C +ATOM 1059 C3 HMW A 89 9.139 8.845 27.278 1.00 0.00 C +ATOM 1060 O1 HMW A 89 8.623 9.655 26.300 1.00 0.00 O +ATOM 1061 H1 HMW A 89 7.807 6.543 26.822 1.00 0.00 H +ATOM 1062 H2 HMW A 89 8.032 7.485 25.256 1.00 0.00 H +ATOM 1063 H3 HMW A 89 8.890 5.948 25.478 1.00 0.00 H +ATOM 1064 H4 HMW A 89 10.054 6.869 27.461 1.00 0.00 H +ATOM 1065 H5 HMW A 89 10.452 7.782 25.976 1.00 0.00 H +ATOM 1066 H6 HMW A 89 9.915 9.277 27.917 1.00 0.00 H +ATOM 1067 H7 HMW A 89 8.296 8.551 27.944 1.00 0.00 H +ATOM 1068 H8 HMW A 89 9.282 10.294 25.891 1.00 0.00 H +ATOM 1069 C1 HMW A 90 14.730 8.174 2.572 1.00 0.00 C +ATOM 1070 C2 HMW A 90 14.713 9.608 3.070 1.00 0.00 C +ATOM 1071 C3 HMW A 90 13.298 10.157 2.867 1.00 0.00 C +ATOM 1072 O1 HMW A 90 12.937 10.128 1.545 1.00 0.00 O +ATOM 1073 H1 HMW A 90 14.087 7.606 3.260 1.00 0.00 H +ATOM 1074 H2 HMW A 90 14.391 8.120 1.519 1.00 0.00 H +ATOM 1075 H3 HMW A 90 15.773 7.813 2.589 1.00 0.00 H +ATOM 1076 H4 HMW A 90 15.002 9.604 4.118 1.00 0.00 H +ATOM 1077 H5 HMW A 90 15.396 10.242 2.494 1.00 0.00 H +ATOM 1078 H6 HMW A 90 13.219 11.121 3.378 1.00 0.00 H +ATOM 1079 H7 HMW A 90 12.631 9.447 3.408 1.00 0.00 H +ATOM 1080 H8 HMW A 90 13.155 10.964 1.032 1.00 0.00 H +ATOM 1081 C1 HMW A 91 28.020 2.007 12.571 1.00 0.00 C +ATOM 1082 C2 HMW A 91 26.644 2.172 13.192 1.00 0.00 C +ATOM 1083 C3 HMW A 91 26.824 2.280 14.709 1.00 0.00 C +ATOM 1084 O1 HMW A 91 27.425 1.159 15.220 1.00 0.00 O +ATOM 1085 H1 HMW A 91 28.546 2.958 12.744 1.00 0.00 H +ATOM 1086 H2 HMW A 91 28.546 1.136 13.008 1.00 0.00 H +ATOM 1087 H3 HMW A 91 27.893 1.795 11.496 1.00 0.00 H +ATOM 1088 H4 HMW A 91 26.190 3.065 12.771 1.00 0.00 H +ATOM 1089 H5 HMW A 91 26.008 1.300 12.999 1.00 0.00 H +ATOM 1090 H6 HMW A 91 25.870 2.575 15.154 1.00 0.00 H +ATOM 1091 H7 HMW A 91 27.529 3.130 14.857 1.00 0.00 H +ATOM 1092 H8 HMW A 91 26.789 0.439 15.515 1.00 0.00 H +ATOM 1093 C1 HMW A 92 25.619 1.742 5.034 1.00 0.00 C +ATOM 1094 C2 HMW A 92 24.204 2.238 5.272 1.00 0.00 C +ATOM 1095 C3 HMW A 92 23.857 1.975 6.740 1.00 0.00 C +ATOM 1096 O1 HMW A 92 23.929 0.639 7.039 1.00 0.00 O +ATOM 1097 H1 HMW A 92 26.274 2.403 5.619 1.00 0.00 H +ATOM 1098 H2 HMW A 92 25.715 0.676 5.318 1.00 0.00 H +ATOM 1099 H3 HMW A 92 25.831 1.803 3.953 1.00 0.00 H +ATOM 1100 H4 HMW A 92 24.173 3.296 5.029 1.00 0.00 H +ATOM 1101 H5 HMW A 92 23.478 1.690 4.661 1.00 0.00 H +ATOM 1102 H6 HMW A 92 22.916 2.482 6.974 1.00 0.00 H +ATOM 1103 H7 HMW A 92 24.656 2.488 7.323 1.00 0.00 H +ATOM 1104 H8 HMW A 92 23.068 0.135 6.918 1.00 0.00 H +ATOM 1105 C1 HMW A 93 16.261 15.335 23.346 1.00 0.00 C +ATOM 1106 C2 HMW A 93 14.955 15.490 22.588 1.00 0.00 C +ATOM 1107 C3 HMW A 93 15.160 14.919 21.182 1.00 0.00 C +ATOM 1108 O1 HMW A 93 16.157 15.582 20.514 1.00 0.00 O +ATOM 1109 H1 HMW A 93 16.407 14.253 23.480 1.00 0.00 H +ATOM 1110 H2 HMW A 93 17.093 15.819 22.798 1.00 0.00 H +ATOM 1111 H3 HMW A 93 16.167 15.861 24.311 1.00 0.00 H +ATOM 1112 H4 HMW A 93 14.183 14.958 23.136 1.00 0.00 H +ATOM 1113 H5 HMW A 93 14.678 16.544 22.476 1.00 0.00 H +ATOM 1114 H6 HMW A 93 14.188 14.861 20.683 1.00 0.00 H +ATOM 1115 H7 HMW A 93 15.507 13.873 21.342 1.00 0.00 H +ATOM 1116 H8 HMW A 93 15.848 16.367 19.969 1.00 0.00 H +ATOM 1117 C1 HMW A 94 5.981 9.504 7.275 1.00 0.00 C +ATOM 1118 C2 HMW A 94 5.001 8.888 6.292 1.00 0.00 C +ATOM 1119 C3 HMW A 94 3.586 9.139 6.822 1.00 0.00 C +ATOM 1120 O1 HMW A 94 3.409 8.573 8.058 1.00 0.00 O +ATOM 1121 H1 HMW A 94 5.827 10.591 7.215 1.00 0.00 H +ATOM 1122 H2 HMW A 94 5.822 9.099 8.294 1.00 0.00 H +ATOM 1123 H3 HMW A 94 7.002 9.215 6.974 1.00 0.00 H +ATOM 1124 H4 HMW A 94 5.161 9.352 5.322 1.00 0.00 H +ATOM 1125 H5 HMW A 94 5.135 7.803 6.216 1.00 0.00 H +ATOM 1126 H6 HMW A 94 2.868 8.861 6.046 1.00 0.00 H +ATOM 1127 H7 HMW A 94 3.517 10.243 6.950 1.00 0.00 H +ATOM 1128 H8 HMW A 94 3.057 7.632 8.043 1.00 0.00 H +ATOM 1129 C1 HMW A 95 20.205 28.150 19.399 1.00 0.00 C +ATOM 1130 C2 HMW A 95 20.037 26.643 19.319 1.00 0.00 C +ATOM 1131 C3 HMW A 95 20.113 26.088 20.744 1.00 0.00 C +ATOM 1132 O1 HMW A 95 21.316 26.382 21.330 1.00 0.00 O +ATOM 1133 H1 HMW A 95 19.311 28.528 19.916 1.00 0.00 H +ATOM 1134 H2 HMW A 95 21.149 28.413 19.917 1.00 0.00 H +ATOM 1135 H3 HMW A 95 20.286 28.546 18.372 1.00 0.00 H +ATOM 1136 H4 HMW A 95 19.078 26.437 18.851 1.00 0.00 H +ATOM 1137 H5 HMW A 95 20.844 26.179 18.742 1.00 0.00 H +ATOM 1138 H6 HMW A 95 19.819 25.034 20.725 1.00 0.00 H +ATOM 1139 H7 HMW A 95 19.326 26.635 21.311 1.00 0.00 H +ATOM 1140 H8 HMW A 95 22.029 25.686 21.199 1.00 0.00 H +ATOM 1141 C1 HMW A 96 19.150 13.305 26.583 1.00 0.00 C +ATOM 1142 C2 HMW A 96 17.675 13.361 26.937 1.00 0.00 C +ATOM 1143 C3 HMW A 96 17.206 11.931 27.218 1.00 0.00 C +ATOM 1144 O1 HMW A 96 17.383 11.124 26.124 1.00 0.00 O +ATOM 1145 H1 HMW A 96 19.670 12.994 27.501 1.00 0.00 H +ATOM 1146 H2 HMW A 96 19.324 12.617 25.733 1.00 0.00 H +ATOM 1147 H3 HMW A 96 19.466 14.308 26.250 1.00 0.00 H +ATOM 1148 H4 HMW A 96 17.561 14.005 27.805 1.00 0.00 H +ATOM 1149 H5 HMW A 96 17.076 13.745 26.103 1.00 0.00 H +ATOM 1150 H6 HMW A 96 16.199 11.970 27.643 1.00 0.00 H +ATOM 1151 H7 HMW A 96 17.884 11.556 28.019 1.00 0.00 H +ATOM 1152 H8 HMW A 96 16.596 11.082 25.501 1.00 0.00 H +ATOM 1153 C1 HMW A 97 10.628 4.253 0.560 1.00 0.00 C +ATOM 1154 C2 HMW A 97 10.505 4.598 2.033 1.00 0.00 C +ATOM 1155 C3 HMW A 97 11.406 3.638 2.815 1.00 0.00 C +ATOM 1156 O1 HMW A 97 11.033 2.334 2.620 1.00 0.00 O +ATOM 1157 H1 HMW A 97 11.658 4.509 0.273 1.00 0.00 H +ATOM 1158 H2 HMW A 97 10.381 3.187 0.384 1.00 0.00 H +ATOM 1159 H3 HMW A 97 9.885 4.847 0.000 1.00 0.00 H +ATOM 1160 H4 HMW A 97 10.805 5.635 2.161 1.00 0.00 H +ATOM 1161 H5 HMW A 97 9.481 4.456 2.396 1.00 0.00 H +ATOM 1162 H6 HMW A 97 11.468 3.983 3.852 1.00 0.00 H +ATOM 1163 H7 HMW A 97 12.419 3.764 2.369 1.00 0.00 H +ATOM 1164 H8 HMW A 97 10.365 1.984 3.284 1.00 0.00 H +ATOM 1165 C1 HMW A 98 25.309 17.575 13.509 1.00 0.00 C +ATOM 1166 C2 HMW A 98 24.155 17.876 12.570 1.00 0.00 C +ATOM 1167 C3 HMW A 98 22.913 17.160 13.111 1.00 0.00 C +ATOM 1168 O1 HMW A 98 23.108 15.805 13.176 1.00 0.00 O +ATOM 1169 H1 HMW A 98 25.065 18.074 14.459 1.00 0.00 H +ATOM 1170 H2 HMW A 98 25.452 16.482 13.618 1.00 0.00 H +ATOM 1171 H3 HMW A 98 26.235 17.974 13.060 1.00 0.00 H +ATOM 1172 H4 HMW A 98 24.021 18.954 12.536 1.00 0.00 H +ATOM 1173 H5 HMW A 98 24.344 17.489 11.563 1.00 0.00 H +ATOM 1174 H6 HMW A 98 22.039 17.505 12.552 1.00 0.00 H +ATOM 1175 H7 HMW A 98 22.799 17.528 14.156 1.00 0.00 H +ATOM 1176 H8 HMW A 98 22.835 15.301 12.350 1.00 0.00 H +ATOM 1177 C1 HMW A 99 20.405 12.090 22.886 1.00 0.00 C +ATOM 1178 C2 HMW A 99 19.330 12.468 21.882 1.00 0.00 C +ATOM 1179 C3 HMW A 99 17.974 12.089 22.484 1.00 0.00 C +ATOM 1180 O1 HMW A 99 17.903 10.745 22.746 1.00 0.00 O +ATOM 1181 H1 HMW A 99 20.263 12.758 23.748 1.00 0.00 H +ATOM 1182 H2 HMW A 99 20.334 11.018 23.153 1.00 0.00 H +ATOM 1183 H3 HMW A 99 21.390 12.235 22.411 1.00 0.00 H +ATOM 1184 H4 HMW A 99 19.408 13.535 21.691 1.00 0.00 H +ATOM 1185 H5 HMW A 99 19.440 11.910 20.945 1.00 0.00 H +ATOM 1186 H6 HMW A 99 17.183 12.511 21.858 1.00 0.00 H +ATOM 1187 H7 HMW A 99 17.933 12.619 23.463 1.00 0.00 H +ATOM 1188 H8 HMW A 99 17.537 10.189 21.993 1.00 0.00 H +ATOM 1189 C1 HMW A 100 8.763 17.906 13.978 1.00 0.00 C +ATOM 1190 C2 HMW A 100 9.654 16.730 14.333 1.00 0.00 C +ATOM 1191 C3 HMW A 100 11.076 17.263 14.531 1.00 0.00 C +ATOM 1192 O1 HMW A 100 11.546 17.864 13.392 1.00 0.00 O +ATOM 1193 H1 HMW A 100 8.723 18.539 14.877 1.00 0.00 H +ATOM 1194 H2 HMW A 100 9.153 18.440 13.089 1.00 0.00 H +ATOM 1195 H3 HMW A 100 7.767 17.517 13.704 1.00 0.00 H +ATOM 1196 H4 HMW A 100 9.262 16.271 15.237 1.00 0.00 H +ATOM 1197 H5 HMW A 100 9.690 15.993 13.523 1.00 0.00 H +ATOM 1198 H6 HMW A 100 11.693 16.467 14.957 1.00 0.00 H +ATOM 1199 H7 HMW A 100 10.983 18.055 15.309 1.00 0.00 H +ATOM 1200 H8 HMW A 100 12.041 17.252 12.767 1.00 0.00 H +ATOM 1201 C1 HMW A 101 21.639 1.441 19.476 1.00 0.00 C +ATOM 1202 C2 HMW A 101 20.283 0.964 18.988 1.00 0.00 C +ATOM 1203 C3 HMW A 101 20.198 1.254 17.487 1.00 0.00 C +ATOM 1204 O1 HMW A 101 20.331 2.593 17.228 1.00 0.00 O +ATOM 1205 H1 HMW A 101 22.381 0.783 19.002 1.00 0.00 H +ATOM 1206 H2 HMW A 101 21.790 2.511 19.232 1.00 0.00 H +ATOM 1207 H3 HMW A 101 21.660 1.361 20.577 1.00 0.00 H +ATOM 1208 H4 HMW A 101 20.202 -0.098 19.204 1.00 0.00 H +ATOM 1209 H5 HMW A 101 19.466 1.510 19.473 1.00 0.00 H +ATOM 1210 H6 HMW A 101 19.308 0.761 17.085 1.00 0.00 H +ATOM 1211 H7 HMW A 101 21.082 0.741 17.042 1.00 0.00 H +ATOM 1212 H8 HMW A 101 19.466 3.105 17.206 1.00 0.00 H +ATOM 1213 C1 HMW A 102 14.093 1.672 15.359 1.00 0.00 C +ATOM 1214 C2 HMW A 102 15.366 0.888 15.623 1.00 0.00 C +ATOM 1215 C3 HMW A 102 16.277 1.755 16.496 1.00 0.00 C +ATOM 1216 O1 HMW A 102 16.590 2.934 15.872 1.00 0.00 O +ATOM 1217 H1 HMW A 102 13.584 1.760 16.329 1.00 0.00 H +ATOM 1218 H2 HMW A 102 14.325 2.654 14.901 1.00 0.00 H +ATOM 1219 H3 HMW A 102 13.487 1.115 14.624 1.00 0.00 H +ATOM 1220 H4 HMW A 102 15.091 -0.041 16.117 1.00 0.00 H +ATOM 1221 H5 HMW A 102 15.907 0.674 14.695 1.00 0.00 H +ATOM 1222 H6 HMW A 102 17.116 1.144 16.842 1.00 0.00 H +ATOM 1223 H7 HMW A 102 15.666 2.007 17.393 1.00 0.00 H +ATOM 1224 H8 HMW A 102 17.427 2.907 15.316 1.00 0.00 H +ATOM 1225 C1 HMW A 103 12.829 5.005 26.960 1.00 0.00 C +ATOM 1226 C2 HMW A 103 11.945 5.075 25.727 1.00 0.00 C +ATOM 1227 C3 HMW A 103 12.710 5.842 24.646 1.00 0.00 C +ATOM 1228 O1 HMW A 103 13.018 7.112 25.059 1.00 0.00 O +ATOM 1229 H1 HMW A 103 13.682 4.366 26.686 1.00 0.00 H +ATOM 1230 H2 HMW A 103 13.134 6.020 27.282 1.00 0.00 H +ATOM 1231 H3 HMW A 103 12.240 4.573 27.786 1.00 0.00 H +ATOM 1232 H4 HMW A 103 11.716 4.058 25.420 1.00 0.00 H +ATOM 1233 H5 HMW A 103 11.019 5.625 25.927 1.00 0.00 H +ATOM 1234 H6 HMW A 103 12.167 5.750 23.701 1.00 0.00 H +ATOM 1235 H7 HMW A 103 13.671 5.292 24.524 1.00 0.00 H +ATOM 1236 H8 HMW A 103 12.330 7.808 24.830 1.00 0.00 H +ATOM 1237 C1 HMW A 104 24.912 6.254 14.289 1.00 0.00 C +ATOM 1238 C2 HMW A 104 24.972 7.686 14.791 1.00 0.00 C +ATOM 1239 C3 HMW A 104 23.584 8.053 15.323 1.00 0.00 C +ATOM 1240 O1 HMW A 104 22.631 7.952 14.343 1.00 0.00 O +ATOM 1241 H1 HMW A 104 24.757 5.627 15.179 1.00 0.00 H +ATOM 1242 H2 HMW A 104 24.113 6.136 13.532 1.00 0.00 H +ATOM 1243 H3 HMW A 104 25.865 6.023 13.783 1.00 0.00 H +ATOM 1244 H4 HMW A 104 25.733 7.740 15.565 1.00 0.00 H +ATOM 1245 H5 HMW A 104 25.209 8.386 13.982 1.00 0.00 H +ATOM 1246 H6 HMW A 104 23.652 9.011 15.847 1.00 0.00 H +ATOM 1247 H7 HMW A 104 23.353 7.279 16.090 1.00 0.00 H +ATOM 1248 H8 HMW A 104 22.472 8.797 13.823 1.00 0.00 H +ATOM 1249 C1 HMW A 105 9.176 4.351 23.012 1.00 0.00 C +ATOM 1250 C2 HMW A 105 8.435 5.625 22.649 1.00 0.00 C +ATOM 1251 C3 HMW A 105 9.473 6.658 22.202 1.00 0.00 C +ATOM 1252 O1 HMW A 105 10.375 6.923 23.199 1.00 0.00 O +ATOM 1253 H1 HMW A 105 9.596 3.966 22.072 1.00 0.00 H +ATOM 1254 H2 HMW A 105 9.948 4.551 23.781 1.00 0.00 H +ATOM 1255 H3 HMW A 105 8.455 3.646 23.461 1.00 0.00 H +ATOM 1256 H4 HMW A 105 7.728 5.389 21.858 1.00 0.00 H +ATOM 1257 H5 HMW A 105 7.907 6.044 23.513 1.00 0.00 H +ATOM 1258 H6 HMW A 105 8.950 7.517 21.771 1.00 0.00 H +ATOM 1259 H7 HMW A 105 10.032 6.168 21.372 1.00 0.00 H +ATOM 1260 H8 HMW A 105 10.122 7.685 23.803 1.00 0.00 H +ATOM 1261 C1 HMW A 106 1.033 18.959 24.366 1.00 0.00 C +ATOM 1262 C2 HMW A 106 2.388 18.438 24.810 1.00 0.00 C +ATOM 1263 C3 HMW A 106 2.174 17.584 26.063 1.00 0.00 C +ATOM 1264 O1 HMW A 106 1.613 18.318 27.076 1.00 0.00 O +ATOM 1265 H1 HMW A 106 0.463 18.079 24.034 1.00 0.00 H +ATOM 1266 H2 HMW A 106 0.537 19.512 25.187 1.00 0.00 H +ATOM 1267 H3 HMW A 106 1.190 19.681 23.546 1.00 0.00 H +ATOM 1268 H4 HMW A 106 2.811 17.862 23.991 1.00 0.00 H +ATOM 1269 H5 HMW A 106 3.064 19.256 25.082 1.00 0.00 H +ATOM 1270 H6 HMW A 106 3.106 17.060 26.292 1.00 0.00 H +ATOM 1271 H7 HMW A 106 1.430 16.811 25.763 1.00 0.00 H +ATOM 1272 H8 HMW A 106 2.273 18.758 27.692 1.00 0.00 H +ATOM 1273 C1 HMW A 107 2.209 25.463 9.566 1.00 0.00 C +ATOM 1274 C2 HMW A 107 1.068 24.821 10.333 1.00 0.00 C +ATOM 1275 C3 HMW A 107 1.445 24.816 11.818 1.00 0.00 C +ATOM 1276 O1 HMW A 107 2.598 24.108 12.036 1.00 0.00 O +ATOM 1277 H1 HMW A 107 2.225 26.519 9.874 1.00 0.00 H +ATOM 1278 H2 HMW A 107 3.163 24.939 9.769 1.00 0.00 H +ATOM 1279 H3 HMW A 107 2.008 25.352 8.487 1.00 0.00 H +ATOM 1280 H4 HMW A 107 0.167 25.399 10.144 1.00 0.00 H +ATOM 1281 H5 HMW A 107 0.916 23.779 10.031 1.00 0.00 H +ATOM 1282 H6 HMW A 107 0.568 24.522 12.401 1.00 0.00 H +ATOM 1283 H7 HMW A 107 1.659 25.881 12.065 1.00 0.00 H +ATOM 1284 H8 HMW A 107 2.461 23.134 12.240 1.00 0.00 H +ATOM 1285 C1 HMW A 108 21.985 5.180 11.788 1.00 0.00 C +ATOM 1286 C2 HMW A 108 21.443 5.157 13.206 1.00 0.00 C +ATOM 1287 C3 HMW A 108 21.732 3.774 13.795 1.00 0.00 C +ATOM 1288 O1 HMW A 108 21.132 2.784 13.061 1.00 0.00 O +ATOM 1289 H1 HMW A 108 23.079 5.117 11.880 1.00 0.00 H +ATOM 1290 H2 HMW A 108 21.552 4.355 11.189 1.00 0.00 H +ATOM 1291 H3 HMW A 108 21.666 6.122 11.309 1.00 0.00 H +ATOM 1292 H4 HMW A 108 21.933 5.949 13.766 1.00 0.00 H +ATOM 1293 H5 HMW A 108 20.357 5.301 13.224 1.00 0.00 H +ATOM 1294 H6 HMW A 108 21.510 3.796 14.866 1.00 0.00 H +ATOM 1295 H7 HMW A 108 22.833 3.640 13.693 1.00 0.00 H +ATOM 1296 H8 HMW A 108 20.206 2.537 13.365 1.00 0.00 H +ATOM 1297 C1 HMW A 109 11.742 27.642 20.106 1.00 0.00 C +ATOM 1298 C2 HMW A 109 12.989 27.208 19.357 1.00 0.00 C +ATOM 1299 C3 HMW A 109 12.693 25.857 18.700 1.00 0.00 C +ATOM 1300 O1 HMW A 109 12.369 24.908 19.634 1.00 0.00 O +ATOM 1301 H1 HMW A 109 10.980 27.843 19.338 1.00 0.00 H +ATOM 1302 H2 HMW A 109 11.430 26.866 20.833 1.00 0.00 H +ATOM 1303 H3 HMW A 109 11.985 28.546 20.691 1.00 0.00 H +ATOM 1304 H4 HMW A 109 13.224 27.975 18.624 1.00 0.00 H +ATOM 1305 H5 HMW A 109 13.836 27.064 20.035 1.00 0.00 H +ATOM 1306 H6 HMW A 109 13.511 25.614 18.015 1.00 0.00 H +ATOM 1307 H7 HMW A 109 11.786 26.030 18.076 1.00 0.00 H +ATOM 1308 H8 HMW A 109 13.148 24.379 19.984 1.00 0.00 H +ATOM 1309 C1 HMW A 110 27.366 10.637 10.629 1.00 0.00 C +ATOM 1310 C2 HMW A 110 27.716 9.205 10.267 1.00 0.00 C +ATOM 1311 C3 HMW A 110 26.532 8.319 10.663 1.00 0.00 C +ATOM 1312 O1 HMW A 110 26.276 8.401 12.007 1.00 0.00 O +ATOM 1313 H1 HMW A 110 26.540 10.925 9.962 1.00 0.00 H +ATOM 1314 H2 HMW A 110 27.105 10.718 11.702 1.00 0.00 H +ATOM 1315 H3 HMW A 110 28.261 11.264 10.471 1.00 0.00 H +ATOM 1316 H4 HMW A 110 27.914 9.167 9.199 1.00 0.00 H +ATOM 1317 H5 HMW A 110 28.591 8.851 10.824 1.00 0.00 H +ATOM 1318 H6 HMW A 110 26.690 7.318 10.252 1.00 0.00 H +ATOM 1319 H7 HMW A 110 25.654 8.754 10.132 1.00 0.00 H +ATOM 1320 H8 HMW A 110 26.757 7.721 12.569 1.00 0.00 H +ATOM 1321 C1 HMW A 111 26.590 14.809 20.754 1.00 0.00 C +ATOM 1322 C2 HMW A 111 25.292 14.020 20.766 1.00 0.00 C +ATOM 1323 C3 HMW A 111 25.617 12.579 20.363 1.00 0.00 C +ATOM 1324 O1 HMW A 111 26.172 12.524 19.111 1.00 0.00 O +ATOM 1325 H1 HMW A 111 27.201 14.399 21.571 1.00 0.00 H +ATOM 1326 H2 HMW A 111 27.083 14.736 19.765 1.00 0.00 H +ATOM 1327 H3 HMW A 111 26.350 15.874 20.912 1.00 0.00 H +ATOM 1328 H4 HMW A 111 24.873 14.079 21.767 1.00 0.00 H +ATOM 1329 H5 HMW A 111 24.576 14.412 20.035 1.00 0.00 H +ATOM 1330 H6 HMW A 111 24.732 11.959 20.537 1.00 0.00 H +ATOM 1331 H7 HMW A 111 26.396 12.244 21.085 1.00 0.00 H +ATOM 1332 H8 HMW A 111 25.511 12.408 18.363 1.00 0.00 H +ATOM 1333 C1 HMW A 112 16.271 7.559 5.790 1.00 0.00 C +ATOM 1334 C2 HMW A 112 16.322 8.514 6.969 1.00 0.00 C +ATOM 1335 C3 HMW A 112 17.774 8.974 7.135 1.00 0.00 C +ATOM 1336 O1 HMW A 112 18.609 7.913 7.369 1.00 0.00 O +ATOM 1337 H1 HMW A 112 16.497 8.164 4.900 1.00 0.00 H +ATOM 1338 H2 HMW A 112 16.978 6.719 5.933 1.00 0.00 H +ATOM 1339 H3 HMW A 112 15.260 7.119 5.743 1.00 0.00 H +ATOM 1340 H4 HMW A 112 15.653 9.344 6.760 1.00 0.00 H +ATOM 1341 H5 HMW A 112 16.027 8.019 7.901 1.00 0.00 H +ATOM 1342 H6 HMW A 112 17.800 9.792 7.861 1.00 0.00 H +ATOM 1343 H7 HMW A 112 18.055 9.406 6.148 1.00 0.00 H +ATOM 1344 H8 HMW A 112 18.744 7.691 8.340 1.00 0.00 H +ATOM 1345 C1 HMW A 113 16.710 20.991 23.978 1.00 0.00 C +ATOM 1346 C2 HMW A 113 15.746 21.915 24.700 1.00 0.00 C +ATOM 1347 C3 HMW A 113 14.418 21.892 23.939 1.00 0.00 C +ATOM 1348 O1 HMW A 113 14.576 22.317 22.645 1.00 0.00 O +ATOM 1349 H1 HMW A 113 16.309 19.974 24.107 1.00 0.00 H +ATOM 1350 H2 HMW A 113 16.815 21.284 22.915 1.00 0.00 H +ATOM 1351 H3 HMW A 113 17.707 21.101 24.438 1.00 0.00 H +ATOM 1352 H4 HMW A 113 15.638 21.558 25.720 1.00 0.00 H +ATOM 1353 H5 HMW A 113 16.106 22.950 24.700 1.00 0.00 H +ATOM 1354 H6 HMW A 113 13.662 22.409 24.538 1.00 0.00 H +ATOM 1355 H7 HMW A 113 14.124 20.818 23.901 1.00 0.00 H +ATOM 1356 H8 HMW A 113 14.446 23.304 22.508 1.00 0.00 H +ATOM 1357 C1 HMW A 114 24.115 4.685 19.894 1.00 0.00 C +ATOM 1358 C2 HMW A 114 23.188 5.859 20.155 1.00 0.00 C +ATOM 1359 C3 HMW A 114 21.865 5.579 19.435 1.00 0.00 C +ATOM 1360 O1 HMW A 114 22.053 5.437 18.085 1.00 0.00 O +ATOM 1361 H1 HMW A 114 23.668 3.824 20.412 1.00 0.00 H +ATOM 1362 H2 HMW A 114 24.241 4.518 18.806 1.00 0.00 H +ATOM 1363 H3 HMW A 114 25.113 4.935 20.294 1.00 0.00 H +ATOM 1364 H4 HMW A 114 23.056 5.950 21.230 1.00 0.00 H +ATOM 1365 H5 HMW A 114 23.593 6.791 19.746 1.00 0.00 H +ATOM 1366 H6 HMW A 114 21.129 6.322 19.755 1.00 0.00 H +ATOM 1367 H7 HMW A 114 21.525 4.593 19.828 1.00 0.00 H +ATOM 1368 H8 HMW A 114 21.968 6.288 17.557 1.00 0.00 H +ATOM 1369 C1 HMW A 115 3.206 27.767 16.738 1.00 0.00 C +ATOM 1370 C2 HMW A 115 1.746 27.597 17.117 1.00 0.00 C +ATOM 1371 C3 HMW A 115 1.106 26.648 16.100 1.00 0.00 C +ATOM 1372 O1 HMW A 115 1.191 27.150 14.828 1.00 0.00 O +ATOM 1373 H1 HMW A 115 3.679 26.788 16.903 1.00 0.00 H +ATOM 1374 H2 HMW A 115 3.302 28.123 15.693 1.00 0.00 H +ATOM 1375 H3 HMW A 115 3.644 28.550 17.381 1.00 0.00 H +ATOM 1376 H4 HMW A 115 1.706 27.199 18.128 1.00 0.00 H +ATOM 1377 H5 HMW A 115 1.203 28.547 17.066 1.00 0.00 H +ATOM 1378 H6 HMW A 115 0.108 26.375 16.456 1.00 0.00 H +ATOM 1379 H7 HMW A 115 1.728 25.724 16.134 1.00 0.00 H +ATOM 1380 H8 HMW A 115 0.409 27.713 14.544 1.00 0.00 H +ATOM 1381 C1 HMW A 116 16.182 26.273 20.480 1.00 0.00 C +ATOM 1382 C2 HMW A 116 16.344 27.654 21.091 1.00 0.00 C +ATOM 1383 C3 HMW A 116 16.631 27.474 22.584 1.00 0.00 C +ATOM 1384 O1 HMW A 116 15.607 26.814 23.213 1.00 0.00 O +ATOM 1385 H1 HMW A 116 17.172 25.797 20.540 1.00 0.00 H +ATOM 1386 H2 HMW A 116 15.393 25.701 21.007 1.00 0.00 H +ATOM 1387 H3 HMW A 116 15.845 26.393 19.436 1.00 0.00 H +ATOM 1388 H4 HMW A 116 17.160 28.155 20.577 1.00 0.00 H +ATOM 1389 H5 HMW A 116 15.425 28.244 21.002 1.00 0.00 H +ATOM 1390 H6 HMW A 116 16.925 28.441 23.003 1.00 0.00 H +ATOM 1391 H7 HMW A 116 17.527 26.814 22.630 1.00 0.00 H +ATOM 1392 H8 HMW A 116 14.893 27.411 23.592 1.00 0.00 H +ATOM 1393 C1 HMW A 117 5.495 12.923 25.213 1.00 0.00 C +ATOM 1394 C2 HMW A 117 5.912 11.508 24.856 1.00 0.00 C +ATOM 1395 C3 HMW A 117 4.970 11.005 23.758 1.00 0.00 C +ATOM 1396 O1 HMW A 117 3.667 11.004 24.182 1.00 0.00 O +ATOM 1397 H1 HMW A 117 5.714 13.537 24.327 1.00 0.00 H +ATOM 1398 H2 HMW A 117 4.428 12.955 25.510 1.00 0.00 H +ATOM 1399 H3 HMW A 117 6.079 13.247 26.092 1.00 0.00 H +ATOM 1400 H4 HMW A 117 6.947 11.536 24.524 1.00 0.00 H +ATOM 1401 H5 HMW A 117 5.810 10.830 25.711 1.00 0.00 H +ATOM 1402 H6 HMW A 117 5.362 10.062 23.366 1.00 0.00 H +ATOM 1403 H7 HMW A 117 5.052 11.757 22.940 1.00 0.00 H +ATOM 1404 H8 HMW A 117 3.363 10.144 24.605 1.00 0.00 H +ATOM 1405 C1 HMW A 118 26.048 12.155 2.531 1.00 0.00 C +ATOM 1406 C2 HMW A 118 25.420 11.241 1.494 1.00 0.00 C +ATOM 1407 C3 HMW A 118 24.239 11.988 0.866 1.00 0.00 C +ATOM 1408 O1 HMW A 118 23.301 12.320 1.809 1.00 0.00 O +ATOM 1409 H1 HMW A 118 26.487 12.993 1.971 1.00 0.00 H +ATOM 1410 H2 HMW A 118 25.295 12.479 3.276 1.00 0.00 H +ATOM 1411 H3 HMW A 118 26.813 11.581 3.082 1.00 0.00 H +ATOM 1412 H4 HMW A 118 26.181 10.993 0.760 1.00 0.00 H +ATOM 1413 H5 HMW A 118 25.024 10.327 1.949 1.00 0.00 H +ATOM 1414 H6 HMW A 118 23.887 11.420 -0.000 1.00 0.00 H +ATOM 1415 H7 HMW A 118 24.671 12.939 0.479 1.00 0.00 H +ATOM 1416 H8 HMW A 118 22.580 11.634 1.945 1.00 0.00 H +ATOM 1417 C1 HMW A 119 25.509 0.803 19.462 1.00 0.00 C +ATOM 1418 C2 HMW A 119 26.274 2.112 19.392 1.00 0.00 C +ATOM 1419 C3 HMW A 119 27.763 1.778 19.258 1.00 0.00 C +ATOM 1420 O1 HMW A 119 28.207 1.047 20.329 1.00 0.00 O +ATOM 1421 H1 HMW A 119 25.623 0.332 18.474 1.00 0.00 H +ATOM 1422 H2 HMW A 119 25.887 0.171 20.289 1.00 0.00 H +ATOM 1423 H3 HMW A 119 24.454 1.029 19.691 1.00 0.00 H +ATOM 1424 H4 HMW A 119 25.904 2.673 18.537 1.00 0.00 H +ATOM 1425 H5 HMW A 119 26.151 2.700 20.308 1.00 0.00 H +ATOM 1426 H6 HMW A 119 28.309 2.698 19.030 1.00 0.00 H +ATOM 1427 H7 HMW A 119 27.834 1.125 18.359 1.00 0.00 H +ATOM 1428 H8 HMW A 119 28.569 1.594 21.091 1.00 0.00 H +ATOM 1429 C1 HMW A 120 22.022 14.085 27.551 1.00 0.00 C +ATOM 1430 C2 HMW A 120 21.718 15.571 27.603 1.00 0.00 C +ATOM 1431 C3 HMW A 120 22.507 16.250 26.480 1.00 0.00 C +ATOM 1432 O1 HMW A 120 23.856 16.055 26.630 1.00 0.00 O +ATOM 1433 H1 HMW A 120 21.583 13.718 26.612 1.00 0.00 H +ATOM 1434 H2 HMW A 120 23.113 13.905 27.619 1.00 0.00 H +ATOM 1435 H3 HMW A 120 21.566 13.606 28.434 1.00 0.00 H +ATOM 1436 H4 HMW A 120 20.645 15.699 27.481 1.00 0.00 H +ATOM 1437 H5 HMW A 120 22.045 16.017 28.549 1.00 0.00 H +ATOM 1438 H6 HMW A 120 22.167 17.286 26.389 1.00 0.00 H +ATOM 1439 H7 HMW A 120 22.198 15.723 25.548 1.00 0.00 H +ATOM 1440 H8 HMW A 120 24.326 16.765 27.164 1.00 0.00 H +ATOM 1441 C1 HMW A 121 21.329 3.709 3.687 1.00 0.00 C +ATOM 1442 C2 HMW A 121 20.899 4.921 4.494 1.00 0.00 C +ATOM 1443 C3 HMW A 121 21.516 4.796 5.890 1.00 0.00 C +ATOM 1444 O1 HMW A 121 21.096 3.654 6.521 1.00 0.00 O +ATOM 1445 H1 HMW A 121 22.415 3.810 3.544 1.00 0.00 H +ATOM 1446 H2 HMW A 121 21.045 2.771 4.204 1.00 0.00 H +ATOM 1447 H3 HMW A 121 20.785 3.720 2.727 1.00 0.00 H +ATOM 1448 H4 HMW A 121 21.243 5.811 3.974 1.00 0.00 H +ATOM 1449 H5 HMW A 121 19.811 4.955 4.619 1.00 0.00 H +ATOM 1450 H6 HMW A 121 21.366 5.738 6.425 1.00 0.00 H +ATOM 1451 H7 HMW A 121 22.612 4.693 5.714 1.00 0.00 H +ATOM 1452 H8 HMW A 121 20.268 3.763 7.080 1.00 0.00 H +ATOM 1453 C1 HMW A 122 19.979 13.720 12.705 1.00 0.00 C +ATOM 1454 C2 HMW A 122 19.914 13.279 14.156 1.00 0.00 C +ATOM 1455 C3 HMW A 122 20.669 11.952 14.276 1.00 0.00 C +ATOM 1456 O1 HMW A 122 20.111 10.987 13.479 1.00 0.00 O +ATOM 1457 H1 HMW A 122 21.035 13.958 12.507 1.00 0.00 H +ATOM 1458 H2 HMW A 122 19.580 12.932 12.036 1.00 0.00 H +ATOM 1459 H3 HMW A 122 19.328 14.602 12.580 1.00 0.00 H +ATOM 1460 H4 HMW A 122 20.361 14.059 14.765 1.00 0.00 H +ATOM 1461 H5 HMW A 122 18.881 13.098 14.475 1.00 0.00 H +ATOM 1462 H6 HMW A 122 20.785 11.709 15.336 1.00 0.00 H +ATOM 1463 H7 HMW A 122 21.688 12.162 13.877 1.00 0.00 H +ATOM 1464 H8 HMW A 122 19.402 10.431 13.925 1.00 0.00 H +ATOM 1465 C1 HMW A 123 15.696 10.105 19.228 1.00 0.00 C +ATOM 1466 C2 HMW A 123 14.746 9.239 18.420 1.00 0.00 C +ATOM 1467 C3 HMW A 123 15.481 8.799 17.150 1.00 0.00 C +ATOM 1468 O1 HMW A 123 15.867 9.878 16.398 1.00 0.00 O +ATOM 1469 H1 HMW A 123 16.502 9.438 19.565 1.00 0.00 H +ATOM 1470 H2 HMW A 123 16.062 10.957 18.622 1.00 0.00 H +ATOM 1471 H3 HMW A 123 15.136 10.536 20.076 1.00 0.00 H +ATOM 1472 H4 HMW A 123 14.455 8.393 19.036 1.00 0.00 H +ATOM 1473 H5 HMW A 123 13.858 9.800 18.107 1.00 0.00 H +ATOM 1474 H6 HMW A 123 14.881 8.037 16.645 1.00 0.00 H +ATOM 1475 H7 HMW A 123 16.408 8.298 17.510 1.00 0.00 H +ATOM 1476 H8 HMW A 123 15.197 10.172 15.709 1.00 0.00 H +ATOM 1477 C1 HMW A 124 19.289 0.939 9.258 1.00 0.00 C +ATOM 1478 C2 HMW A 124 20.728 0.864 9.735 1.00 0.00 C +ATOM 1479 C3 HMW A 124 21.127 2.253 10.239 1.00 0.00 C +ATOM 1480 O1 HMW A 124 21.024 3.193 9.246 1.00 0.00 O +ATOM 1481 H1 HMW A 124 18.680 1.118 10.156 1.00 0.00 H +ATOM 1482 H2 HMW A 124 19.170 1.729 8.490 1.00 0.00 H +ATOM 1483 H3 HMW A 124 19.033 -0.018 8.771 1.00 0.00 H +ATOM 1484 H4 HMW A 124 20.784 0.114 10.520 1.00 0.00 H +ATOM 1485 H5 HMW A 124 21.410 0.603 8.917 1.00 0.00 H +ATOM 1486 H6 HMW A 124 22.093 2.178 10.746 1.00 0.00 H +ATOM 1487 H7 HMW A 124 20.371 2.508 11.016 1.00 0.00 H +ATOM 1488 H8 HMW A 124 21.862 3.330 8.708 1.00 0.00 H +ATOM 1489 C1 HMW A 125 21.604 16.367 20.288 1.00 0.00 C +ATOM 1490 C2 HMW A 125 20.617 15.712 19.338 1.00 0.00 C +ATOM 1491 C3 HMW A 125 19.242 16.340 19.585 1.00 0.00 C +ATOM 1492 O1 HMW A 125 18.830 16.144 20.878 1.00 0.00 O +ATOM 1493 H1 HMW A 125 21.689 17.414 19.962 1.00 0.00 H +ATOM 1494 H2 HMW A 125 21.264 16.266 21.337 1.00 0.00 H +ATOM 1495 H3 HMW A 125 22.566 15.832 20.213 1.00 0.00 H +ATOM 1496 H4 HMW A 125 20.965 15.881 18.322 1.00 0.00 H +ATOM 1497 H5 HMW A 125 20.526 14.637 19.530 1.00 0.00 H +ATOM 1498 H6 HMW A 125 18.560 16.012 18.796 1.00 0.00 H +ATOM 1499 H7 HMW A 125 19.395 17.435 19.449 1.00 0.00 H +ATOM 1500 H8 HMW A 125 18.290 15.309 21.025 1.00 0.00 H +ATOM 1501 C1 HMW A 126 15.017 4.853 17.983 1.00 0.00 C +ATOM 1502 C2 HMW A 126 13.648 4.702 17.344 1.00 0.00 C +ATOM 1503 C3 HMW A 126 12.678 4.216 18.425 1.00 0.00 C +ATOM 1504 O1 HMW A 126 13.074 3.012 18.945 1.00 0.00 O +ATOM 1505 H1 HMW A 126 14.927 5.682 18.699 1.00 0.00 H +ATOM 1506 H2 HMW A 126 15.336 3.903 18.457 1.00 0.00 H +ATOM 1507 H3 HMW A 126 15.749 5.072 17.187 1.00 0.00 H +ATOM 1508 H4 HMW A 126 13.357 5.668 16.939 1.00 0.00 H +ATOM 1509 H5 HMW A 126 13.656 3.948 16.548 1.00 0.00 H +ATOM 1510 H6 HMW A 126 11.659 4.271 18.031 1.00 0.00 H +ATOM 1511 H7 HMW A 126 12.753 4.970 19.241 1.00 0.00 H +ATOM 1512 H8 HMW A 126 12.694 2.207 18.479 1.00 0.00 H +ATOM 1513 C1 HMW A 127 10.997 8.357 19.531 1.00 0.00 C +ATOM 1514 C2 HMW A 127 9.832 7.657 18.855 1.00 0.00 C +ATOM 1515 C3 HMW A 127 10.317 6.279 18.394 1.00 0.00 C +ATOM 1516 O1 HMW A 127 11.360 6.387 17.511 1.00 0.00 O +ATOM 1517 H1 HMW A 127 11.200 7.788 20.451 1.00 0.00 H +ATOM 1518 H2 HMW A 127 11.871 8.410 18.853 1.00 0.00 H +ATOM 1519 H3 HMW A 127 10.700 9.397 19.748 1.00 0.00 H +ATOM 1520 H4 HMW A 127 9.020 7.584 19.574 1.00 0.00 H +ATOM 1521 H5 HMW A 127 9.498 8.201 17.965 1.00 0.00 H +ATOM 1522 H6 HMW A 127 9.452 5.696 18.066 1.00 0.00 H +ATOM 1523 H7 HMW A 127 10.711 5.789 19.314 1.00 0.00 H +ATOM 1524 H8 HMW A 127 11.089 6.431 16.545 1.00 0.00 H +ATOM 1525 C1 HMW A 128 3.335 4.633 25.866 1.00 0.00 C +ATOM 1526 C2 HMW A 128 4.088 5.917 26.165 1.00 0.00 C +ATOM 1527 C3 HMW A 128 3.213 6.767 27.092 1.00 0.00 C +ATOM 1528 O1 HMW A 128 2.012 7.069 26.506 1.00 0.00 O +ATOM 1529 H1 HMW A 128 3.283 4.083 26.817 1.00 0.00 H +ATOM 1530 H2 HMW A 128 2.337 4.854 25.438 1.00 0.00 H +ATOM 1531 H3 HMW A 128 3.894 4.075 25.096 1.00 0.00 H +ATOM 1532 H4 HMW A 128 5.034 5.652 26.629 1.00 0.00 H +ATOM 1533 H5 HMW A 128 4.265 6.502 25.256 1.00 0.00 H +ATOM 1534 H6 HMW A 128 3.807 7.609 27.459 1.00 0.00 H +ATOM 1535 H7 HMW A 128 2.999 6.113 27.968 1.00 0.00 H +ATOM 1536 H8 HMW A 128 2.003 7.928 25.984 1.00 0.00 H +TER 1537 HMW A 128 +ATOM 1538 O HOH B 1 8.856 8.305 15.724 1.00 0.00 O +ATOM 1539 H1 HOH B 1 9.817 8.188 15.579 1.00 0.00 H +ATOM 1540 H2 HOH B 1 8.636 9.224 15.992 1.00 0.00 H +ATOM 1541 O HOH B 2 5.111 5.198 23.436 1.00 0.00 O +ATOM 1542 H1 HOH B 2 5.716 5.937 23.654 1.00 0.00 H +ATOM 1543 H2 HOH B 2 5.577 4.333 23.428 1.00 0.00 H +ATOM 1544 O HOH B 3 24.991 19.651 5.807 1.00 0.00 O +ATOM 1545 H1 HOH B 3 24.032 19.760 5.643 1.00 0.00 H +ATOM 1546 H2 HOH B 3 25.438 19.185 5.067 1.00 0.00 H +ATOM 1547 O HOH B 4 8.304 18.009 22.385 1.00 0.00 O +ATOM 1548 H1 HOH B 4 7.430 17.608 22.568 1.00 0.00 H +ATOM 1549 H2 HOH B 4 8.249 18.709 21.699 1.00 0.00 H +ATOM 1550 O HOH B 5 12.704 6.387 14.572 1.00 0.00 O +ATOM 1551 H1 HOH B 5 13.415 6.835 15.075 1.00 0.00 H +ATOM 1552 H2 HOH B 5 12.533 5.480 14.909 1.00 0.00 H +ATOM 1553 O HOH B 6 6.078 10.470 27.865 1.00 0.00 O +ATOM 1554 H1 HOH B 6 5.839 11.420 27.863 1.00 0.00 H +ATOM 1555 H2 HOH B 6 5.284 9.893 27.877 1.00 0.00 H +ATOM 1556 O HOH B 7 6.573 4.133 15.100 1.00 0.00 O +ATOM 1557 H1 HOH B 7 5.738 4.551 15.393 1.00 0.00 H +ATOM 1558 H2 HOH B 7 6.921 3.501 15.766 1.00 0.00 H +ATOM 1559 O HOH B 8 11.861 9.612 13.931 1.00 0.00 O +ATOM 1560 H1 HOH B 8 11.422 9.775 13.071 1.00 0.00 H +ATOM 1561 H2 HOH B 8 11.938 10.433 14.465 1.00 0.00 H +ATOM 1562 O HOH B 9 6.188 8.119 12.291 1.00 0.00 O +ATOM 1563 H1 HOH B 9 5.985 9.002 11.918 1.00 0.00 H +ATOM 1564 H2 HOH B 9 7.138 8.029 12.522 1.00 0.00 H +ATOM 1565 O HOH B 10 7.257 5.300 0.734 1.00 0.00 O +ATOM 1566 H1 HOH B 10 7.575 4.374 0.716 1.00 0.00 H +ATOM 1567 H2 HOH B 10 7.714 5.831 1.422 1.00 0.00 H +ATOM 1568 O HOH B 11 1.232 7.098 12.941 1.00 0.00 O +ATOM 1569 H1 HOH B 11 1.140 7.008 11.971 1.00 0.00 H +ATOM 1570 H2 HOH B 11 1.105 8.025 13.237 1.00 0.00 H +ATOM 1571 O HOH B 12 15.235 15.462 2.337 1.00 0.00 O +ATOM 1572 H1 HOH B 12 14.435 14.936 2.136 1.00 0.00 H +ATOM 1573 H2 HOH B 12 15.604 15.891 1.534 1.00 0.00 H +ATOM 1574 O HOH B 13 20.008 0.823 14.893 1.00 0.00 O +ATOM 1575 H1 HOH B 13 19.094 0.761 14.548 1.00 0.00 H +ATOM 1576 H2 HOH B 13 20.520 0.002 14.727 1.00 0.00 H +ATOM 1577 O HOH B 14 6.157 22.594 15.444 1.00 0.00 O +ATOM 1578 H1 HOH B 14 5.244 22.668 15.788 1.00 0.00 H +ATOM 1579 H2 HOH B 14 6.773 23.204 15.906 1.00 0.00 H +ATOM 1580 O HOH B 15 23.095 6.812 0.460 1.00 0.00 O +ATOM 1581 H1 HOH B 15 22.330 6.410 -0.000 1.00 0.00 H +ATOM 1582 H2 HOH B 15 23.941 6.619 -0.000 1.00 0.00 H +ATOM 1583 O HOH B 16 25.636 18.178 23.301 1.00 0.00 O +ATOM 1584 H1 HOH B 16 26.235 17.520 23.710 1.00 0.00 H +ATOM 1585 H2 HOH B 16 25.560 18.992 23.845 1.00 0.00 H +ATOM 1586 O HOH B 17 27.683 6.950 1.477 1.00 0.00 O +ATOM 1587 H1 HOH B 17 27.013 6.320 1.141 1.00 0.00 H +ATOM 1588 H2 HOH B 17 28.546 6.512 1.645 1.00 0.00 H +ATOM 1589 O HOH B 18 7.066 12.831 4.808 1.00 0.00 O +ATOM 1590 H1 HOH B 18 7.314 11.884 4.827 1.00 0.00 H +ATOM 1591 H2 HOH B 18 6.094 12.956 4.862 1.00 0.00 H +ATOM 1592 O HOH B 19 27.467 25.532 5.956 1.00 0.00 O +ATOM 1593 H1 HOH B 19 27.764 25.116 6.791 1.00 0.00 H +ATOM 1594 H2 HOH B 19 28.171 26.084 5.551 1.00 0.00 H +ATOM 1595 O HOH B 20 25.260 26.210 17.985 1.00 0.00 O +ATOM 1596 H1 HOH B 20 25.809 25.988 17.204 1.00 0.00 H +ATOM 1597 H2 HOH B 20 25.229 25.473 18.632 1.00 0.00 H +ATOM 1598 O HOH B 21 23.720 16.427 17.772 1.00 0.00 O +ATOM 1599 H1 HOH B 21 24.570 16.540 18.246 1.00 0.00 H +ATOM 1600 H2 HOH B 21 22.966 16.797 18.279 1.00 0.00 H +ATOM 1601 O HOH B 22 27.180 23.776 18.927 1.00 0.00 O +ATOM 1602 H1 HOH B 22 27.058 23.647 17.964 1.00 0.00 H +ATOM 1603 H2 HOH B 22 27.231 24.728 19.165 1.00 0.00 H +ATOM 1604 O HOH B 23 16.993 13.943 12.825 1.00 0.00 O +ATOM 1605 H1 HOH B 23 16.543 13.630 12.013 1.00 0.00 H +ATOM 1606 H2 HOH B 23 16.784 14.882 13.021 1.00 0.00 H +ATOM 1607 O HOH B 24 1.423 5.190 7.168 1.00 0.00 O +ATOM 1608 H1 HOH B 24 1.700 6.130 7.182 1.00 0.00 H +ATOM 1609 H2 HOH B 24 0.447 5.096 7.208 1.00 0.00 H +ATOM 1610 O HOH B 25 12.128 15.160 9.419 1.00 0.00 O +ATOM 1611 H1 HOH B 25 12.448 14.254 9.605 1.00 0.00 H +ATOM 1612 H2 HOH B 25 12.722 15.844 9.799 1.00 0.00 H +ATOM 1613 O HOH B 26 15.812 0.724 21.189 1.00 0.00 O +ATOM 1614 H1 HOH B 26 16.384 0.532 21.961 1.00 0.00 H +ATOM 1615 H2 HOH B 26 15.835 0.000 20.527 1.00 0.00 H +ATOM 1616 O HOH B 27 21.307 28.546 22.768 1.00 0.00 O +ATOM 1617 H1 HOH B 27 20.431 28.107 22.758 1.00 0.00 H +ATOM 1618 H2 HOH B 27 22.036 27.904 22.910 1.00 0.00 H +ATOM 1619 O HOH B 28 22.448 6.862 25.476 1.00 0.00 O +ATOM 1620 H1 HOH B 28 21.914 6.045 25.395 1.00 0.00 H +ATOM 1621 H2 HOH B 28 22.369 7.432 24.680 1.00 0.00 H +ATOM 1622 O HOH B 29 11.756 20.299 22.829 1.00 0.00 O +ATOM 1623 H1 HOH B 29 11.364 19.739 23.530 1.00 0.00 H +ATOM 1624 H2 HOH B 29 12.073 21.158 23.182 1.00 0.00 H +ATOM 1625 O HOH B 30 7.109 26.458 11.644 1.00 0.00 O +ATOM 1626 H1 HOH B 30 6.271 26.416 11.138 1.00 0.00 H +ATOM 1627 H2 HOH B 30 7.543 25.579 11.707 1.00 0.00 H +ATOM 1628 O HOH B 31 13.554 2.234 21.038 1.00 0.00 O +ATOM 1629 H1 HOH B 31 12.860 2.603 21.623 1.00 0.00 H +ATOM 1630 H2 HOH B 31 14.359 2.795 21.025 1.00 0.00 H +ATOM 1631 O HOH B 32 15.869 0.001 12.453 1.00 0.00 O +ATOM 1632 H1 HOH B 32 16.754 0.416 12.506 1.00 0.00 H +ATOM 1633 H2 HOH B 32 15.150 0.646 12.630 1.00 0.00 H +ATOM 1634 O HOH B 33 21.493 10.069 26.592 1.00 0.00 O +ATOM 1635 H1 HOH B 33 21.761 10.988 26.798 1.00 0.00 H +ATOM 1636 H2 HOH B 33 22.044 9.678 25.880 1.00 0.00 H +ATOM 1637 O HOH B 34 10.243 0.821 26.698 1.00 0.00 O +ATOM 1638 H1 HOH B 34 10.652 0.000 27.041 1.00 0.00 H +ATOM 1639 H2 HOH B 34 10.851 1.589 26.765 1.00 0.00 H +ATOM 1640 O HOH B 35 16.682 9.500 0.627 1.00 0.00 O +ATOM 1641 H1 HOH B 35 17.617 9.211 0.663 1.00 0.00 H +ATOM 1642 H2 HOH B 35 16.155 8.959 0.000 1.00 0.00 H +ATOM 1643 O HOH B 36 17.075 19.192 21.558 1.00 0.00 O +ATOM 1644 H1 HOH B 36 16.526 18.427 21.826 1.00 0.00 H +ATOM 1645 H2 HOH B 36 17.826 19.338 22.174 1.00 0.00 H +ATOM 1646 O HOH B 37 15.548 4.790 25.600 1.00 0.00 O +ATOM 1647 H1 HOH B 37 15.658 5.544 26.215 1.00 0.00 H +ATOM 1648 H2 HOH B 37 16.113 4.027 25.850 1.00 0.00 H +ATOM 1649 O HOH B 38 8.011 23.105 20.874 1.00 0.00 O +ATOM 1650 H1 HOH B 38 7.346 23.822 20.818 1.00 0.00 H +ATOM 1651 H2 HOH B 38 8.409 23.043 21.769 1.00 0.00 H +ATOM 1652 O HOH B 39 9.275 21.568 16.832 1.00 0.00 O +ATOM 1653 H1 HOH B 39 8.737 20.916 16.336 1.00 0.00 H +ATOM 1654 H2 HOH B 39 9.882 21.132 17.469 1.00 0.00 H +ATOM 1655 O HOH B 40 22.054 3.869 25.064 1.00 0.00 O +ATOM 1656 H1 HOH B 40 22.023 3.155 25.735 1.00 0.00 H +ATOM 1657 H2 HOH B 40 22.726 3.691 24.371 1.00 0.00 H +ATOM 1658 O HOH B 41 9.010 4.216 16.338 1.00 0.00 O +ATOM 1659 H1 HOH B 41 9.545 3.403 16.453 1.00 0.00 H +ATOM 1660 H2 HOH B 41 9.548 4.962 15.994 1.00 0.00 H +ATOM 1661 O HOH B 42 10.581 1.726 17.428 1.00 0.00 O +ATOM 1662 H1 HOH B 42 11.356 1.364 16.950 1.00 0.00 H +ATOM 1663 H2 HOH B 42 9.744 1.295 17.148 1.00 0.00 H +ATOM 1664 O HOH B 43 0.804 8.932 18.379 1.00 0.00 O +ATOM 1665 H1 HOH B 43 0.000 8.862 18.933 1.00 0.00 H +ATOM 1666 H2 HOH B 43 1.236 8.060 18.247 1.00 0.00 H +ATOM 1667 O HOH B 44 18.655 26.544 4.684 1.00 0.00 O +ATOM 1668 H1 HOH B 44 19.501 26.941 4.976 1.00 0.00 H +ATOM 1669 H2 HOH B 44 18.055 27.212 4.285 1.00 0.00 H +ATOM 1670 O HOH B 45 5.953 10.408 16.079 1.00 0.00 O +ATOM 1671 H1 HOH B 45 5.137 10.950 16.079 1.00 0.00 H +ATOM 1672 H2 HOH B 45 5.753 9.447 16.079 1.00 0.00 H +ATOM 1673 O HOH B 46 3.281 19.782 11.713 1.00 0.00 O +ATOM 1674 H1 HOH B 46 2.896 19.397 12.527 1.00 0.00 H +ATOM 1675 H2 HOH B 46 2.639 19.782 10.969 1.00 0.00 H +ATOM 1676 O HOH B 47 13.968 18.157 23.794 1.00 0.00 O +ATOM 1677 H1 HOH B 47 13.353 18.816 23.411 1.00 0.00 H +ATOM 1678 H2 HOH B 47 14.635 18.575 24.380 1.00 0.00 H +ATOM 1679 O HOH B 48 5.811 7.030 28.157 1.00 0.00 O +ATOM 1680 H1 HOH B 48 6.477 6.442 28.570 1.00 0.00 H +ATOM 1681 H2 HOH B 48 6.198 7.892 27.889 1.00 0.00 H +ATOM 1682 O HOH B 49 2.569 23.417 23.420 1.00 0.00 O +ATOM 1683 H1 HOH B 49 3.485 23.390 23.766 1.00 0.00 H +ATOM 1684 H2 HOH B 49 2.129 24.273 23.613 1.00 0.00 H +ATOM 1685 O HOH B 50 8.217 25.113 4.871 1.00 0.00 O +ATOM 1686 H1 HOH B 50 9.129 24.795 5.034 1.00 0.00 H +ATOM 1687 H2 HOH B 50 7.637 24.973 5.651 1.00 0.00 H +ATOM 1688 O HOH B 51 10.691 6.842 12.928 1.00 0.00 O +ATOM 1689 H1 HOH B 51 11.580 7.251 12.890 1.00 0.00 H +ATOM 1690 H2 HOH B 51 10.064 7.377 13.460 1.00 0.00 H +ATOM 1691 O HOH B 52 7.912 15.618 25.243 1.00 0.00 O +ATOM 1692 H1 HOH B 52 7.529 14.722 25.346 1.00 0.00 H +ATOM 1693 H2 HOH B 52 7.560 16.077 24.449 1.00 0.00 H +ATOM 1694 O HOH B 53 25.833 25.282 10.184 1.00 0.00 O +ATOM 1695 H1 HOH B 53 25.753 26.240 9.994 1.00 0.00 H +ATOM 1696 H2 HOH B 53 25.569 24.733 9.415 1.00 0.00 H +ATOM 1697 O HOH B 54 27.681 14.105 12.076 1.00 0.00 O +ATOM 1698 H1 HOH B 54 27.214 14.963 12.012 1.00 0.00 H +ATOM 1699 H2 HOH B 54 27.058 13.346 12.067 1.00 0.00 H +ATOM 1700 O HOH B 55 6.042 3.943 28.036 1.00 0.00 O +ATOM 1701 H1 HOH B 55 6.246 3.130 28.543 1.00 0.00 H +ATOM 1702 H2 HOH B 55 6.856 4.426 27.776 1.00 0.00 H +ATOM 1703 O HOH B 56 19.715 8.341 2.817 1.00 0.00 O +ATOM 1704 H1 HOH B 56 18.740 8.275 2.743 1.00 0.00 H +ATOM 1705 H2 HOH B 56 20.109 7.528 3.201 1.00 0.00 H +ATOM 1706 O HOH B 57 26.925 14.909 16.152 1.00 0.00 O +ATOM 1707 H1 HOH B 57 26.368 15.058 16.944 1.00 0.00 H +ATOM 1708 H2 HOH B 57 27.167 13.964 16.046 1.00 0.00 H +ATOM 1709 O HOH B 58 2.983 20.821 16.439 1.00 0.00 O +ATOM 1710 H1 HOH B 58 3.143 20.250 17.218 1.00 0.00 H +ATOM 1711 H2 HOH B 58 2.619 21.696 16.695 1.00 0.00 H +ATOM 1712 O HOH B 59 17.254 15.920 7.470 1.00 0.00 O +ATOM 1713 H1 HOH B 59 16.392 15.471 7.585 1.00 0.00 H +ATOM 1714 H2 HOH B 59 18.005 15.289 7.511 1.00 0.00 H +ATOM 1715 O HOH B 60 8.055 12.951 22.144 1.00 0.00 O +ATOM 1716 H1 HOH B 60 8.059 12.805 23.113 1.00 0.00 H +ATOM 1717 H2 HOH B 60 8.439 12.191 21.657 1.00 0.00 H +ATOM 1718 O HOH B 61 23.116 27.202 19.555 1.00 0.00 O +ATOM 1719 H1 HOH B 61 23.553 26.349 19.756 1.00 0.00 H +ATOM 1720 H2 HOH B 61 23.754 27.948 19.551 1.00 0.00 H +ATOM 1721 O HOH B 62 13.031 13.898 12.574 1.00 0.00 O +ATOM 1722 H1 HOH B 62 13.252 12.944 12.532 1.00 0.00 H +ATOM 1723 H2 HOH B 62 12.176 14.056 13.029 1.00 0.00 H +ATOM 1724 O HOH B 63 1.289 18.134 9.524 1.00 0.00 O +ATOM 1725 H1 HOH B 63 0.478 18.417 9.053 1.00 0.00 H +ATOM 1726 H2 HOH B 63 1.133 17.338 10.077 1.00 0.00 H +ATOM 1727 O HOH B 64 14.313 10.730 27.069 1.00 0.00 O +ATOM 1728 H1 HOH B 64 15.053 10.162 26.772 1.00 0.00 H +ATOM 1729 H2 HOH B 64 14.301 11.592 26.598 1.00 0.00 H +ATOM 1730 O HOH B 65 16.710 11.096 13.949 1.00 0.00 O +ATOM 1731 H1 HOH B 65 15.879 10.986 13.443 1.00 0.00 H +ATOM 1732 H2 HOH B 65 17.142 11.957 13.760 1.00 0.00 H +ATOM 1733 O HOH B 66 7.624 21.521 8.206 1.00 0.00 O +ATOM 1734 H1 HOH B 66 7.269 21.297 7.322 1.00 0.00 H +ATOM 1735 H2 HOH B 66 6.929 21.492 8.899 1.00 0.00 H +ATOM 1736 O HOH B 67 22.812 12.449 19.533 1.00 0.00 O +ATOM 1737 H1 HOH B 67 22.110 11.959 20.008 1.00 0.00 H +ATOM 1738 H2 HOH B 67 22.539 13.369 19.324 1.00 0.00 H +ATOM 1739 O HOH B 68 24.555 20.921 25.154 1.00 0.00 O +ATOM 1740 H1 HOH B 68 23.923 20.395 25.686 1.00 0.00 H +ATOM 1741 H2 HOH B 68 25.070 21.546 25.708 1.00 0.00 H +ATOM 1742 O HOH B 69 1.877 14.610 25.328 1.00 0.00 O +ATOM 1743 H1 HOH B 69 2.772 14.409 25.672 1.00 0.00 H +ATOM 1744 H2 HOH B 69 1.820 14.478 24.356 1.00 0.00 H +ATOM 1745 O HOH B 70 5.720 7.878 22.116 1.00 0.00 O +ATOM 1746 H1 HOH B 70 5.911 6.996 21.735 1.00 0.00 H +ATOM 1747 H2 HOH B 70 5.014 7.838 22.797 1.00 0.00 H +ATOM 1748 O HOH B 71 4.712 24.181 4.787 1.00 0.00 O +ATOM 1749 H1 HOH B 71 3.795 24.484 4.944 1.00 0.00 H +ATOM 1750 H2 HOH B 71 5.356 24.921 4.835 1.00 0.00 H +ATOM 1751 O HOH B 72 10.238 10.141 17.240 1.00 0.00 O +ATOM 1752 H1 HOH B 72 9.729 10.387 18.041 1.00 0.00 H +ATOM 1753 H2 HOH B 72 11.179 9.953 17.448 1.00 0.00 H +ATOM 1754 O HOH B 73 19.837 22.564 5.708 1.00 0.00 O +ATOM 1755 H1 HOH B 73 19.612 21.611 5.664 1.00 0.00 H +ATOM 1756 H2 HOH B 73 20.807 22.711 5.722 1.00 0.00 H +ATOM 1757 O HOH B 74 2.045 26.893 28.434 1.00 0.00 O +ATOM 1758 H1 HOH B 74 1.776 27.279 27.575 1.00 0.00 H +ATOM 1759 H2 HOH B 74 3.021 26.892 28.546 1.00 0.00 H +ATOM 1760 O HOH B 75 15.726 24.325 9.875 1.00 0.00 O +ATOM 1761 H1 HOH B 75 14.826 24.688 10.003 1.00 0.00 H +ATOM 1762 H2 HOH B 75 15.783 23.383 10.146 1.00 0.00 H +ATOM 1763 O HOH B 76 12.104 12.507 22.299 1.00 0.00 O +ATOM 1764 H1 HOH B 76 11.473 11.759 22.276 1.00 0.00 H +ATOM 1765 H2 HOH B 76 13.033 12.207 22.196 1.00 0.00 H +ATOM 1766 O HOH B 77 19.234 28.467 7.553 1.00 0.00 O +ATOM 1767 H1 HOH B 77 19.558 27.661 8.005 1.00 0.00 H +ATOM 1768 H2 HOH B 77 18.481 28.273 6.953 1.00 0.00 H +ATOM 1769 O HOH B 78 26.771 26.198 27.738 1.00 0.00 O +ATOM 1770 H1 HOH B 78 26.756 25.564 28.484 1.00 0.00 H +ATOM 1771 H2 HOH B 78 25.988 26.094 27.154 1.00 0.00 H +ATOM 1772 O HOH B 79 11.287 -0.023 12.676 1.00 0.00 O +ATOM 1773 H1 HOH B 79 10.405 0.401 12.704 1.00 0.00 H +ATOM 1774 H2 HOH B 79 11.960 0.499 13.166 1.00 0.00 H +ATOM 1775 O HOH B 80 8.949 20.022 5.436 1.00 0.00 O +ATOM 1776 H1 HOH B 80 8.372 20.796 5.269 1.00 0.00 H +ATOM 1777 H2 HOH B 80 9.901 20.260 5.397 1.00 0.00 H +ATOM 1778 O HOH B 81 14.656 18.806 20.729 1.00 0.00 O +ATOM 1779 H1 HOH B 81 15.177 19.084 19.948 1.00 0.00 H +ATOM 1780 H2 HOH B 81 14.395 17.861 20.678 1.00 0.00 H +ATOM 1781 O HOH B 82 16.075 27.622 11.387 1.00 0.00 O +ATOM 1782 H1 HOH B 82 16.399 28.546 11.380 1.00 0.00 H +ATOM 1783 H2 HOH B 82 15.162 27.557 11.743 1.00 0.00 H +ATOM 1784 O HOH B 83 10.026 18.111 27.132 1.00 0.00 O +ATOM 1785 H1 HOH B 83 9.328 18.406 26.511 1.00 0.00 H +ATOM 1786 H2 HOH B 83 9.647 17.698 27.938 1.00 0.00 H +ATOM 1787 O HOH B 84 8.566 9.259 23.645 1.00 0.00 O +ATOM 1788 H1 HOH B 84 8.710 10.008 23.031 1.00 0.00 H +ATOM 1789 H2 HOH B 84 7.639 9.225 23.969 1.00 0.00 H +ATOM 1790 O HOH B 85 10.519 23.617 10.538 1.00 0.00 O +ATOM 1791 H1 HOH B 85 9.862 24.343 10.520 1.00 0.00 H +ATOM 1792 H2 HOH B 85 11.429 23.942 10.362 1.00 0.00 H +ATOM 1793 O HOH B 86 9.759 25.414 14.517 1.00 0.00 O +ATOM 1794 H1 HOH B 86 10.509 26.043 14.522 1.00 0.00 H +ATOM 1795 H2 HOH B 86 8.893 25.876 14.518 1.00 0.00 H +ATOM 1796 O HOH B 87 25.558 23.277 13.518 1.00 0.00 O +ATOM 1797 H1 HOH B 87 25.448 22.531 12.894 1.00 0.00 H +ATOM 1798 H2 HOH B 87 26.502 23.522 13.634 1.00 0.00 H +ATOM 1799 O HOH B 88 4.184 7.473 11.654 1.00 0.00 O +ATOM 1800 H1 HOH B 88 4.376 6.516 11.743 1.00 0.00 H +ATOM 1801 H2 HOH B 88 3.375 7.636 11.122 1.00 0.00 H +ATOM 1802 O HOH B 89 22.320 23.421 2.893 1.00 0.00 O +ATOM 1803 H1 HOH B 89 21.692 22.692 2.710 1.00 0.00 H +ATOM 1804 H2 HOH B 89 21.908 24.301 2.757 1.00 0.00 H +ATOM 1805 O HOH B 90 16.843 27.218 8.428 1.00 0.00 O +ATOM 1806 H1 HOH B 90 17.207 26.398 8.035 1.00 0.00 H +ATOM 1807 H2 HOH B 90 15.875 27.155 8.577 1.00 0.00 H +ATOM 1808 O HOH B 91 21.948 25.205 23.751 1.00 0.00 O +ATOM 1809 H1 HOH B 91 22.668 24.624 24.073 1.00 0.00 H +ATOM 1810 H2 HOH B 91 21.365 24.745 23.108 1.00 0.00 H +ATOM 1811 O HOH B 92 19.968 7.500 5.397 1.00 0.00 O +ATOM 1812 H1 HOH B 92 19.910 8.478 5.416 1.00 0.00 H +ATOM 1813 H2 HOH B 92 19.081 7.080 5.390 1.00 0.00 H +ATOM 1814 O HOH B 93 10.029 18.095 7.259 1.00 0.00 O +ATOM 1815 H1 HOH B 93 9.570 18.753 7.820 1.00 0.00 H +ATOM 1816 H2 HOH B 93 9.396 17.502 6.798 1.00 0.00 H +ATOM 1817 O HOH B 94 17.091 8.096 25.426 1.00 0.00 O +ATOM 1818 H1 HOH B 94 17.399 8.907 25.880 1.00 0.00 H +ATOM 1819 H2 HOH B 94 16.476 7.573 25.986 1.00 0.00 H +ATOM 1820 O HOH B 95 27.256 9.127 26.926 1.00 0.00 O +ATOM 1821 H1 HOH B 95 27.673 8.344 27.339 1.00 0.00 H +ATOM 1822 H2 HOH B 95 27.736 9.955 27.143 1.00 0.00 H +ATOM 1823 O HOH B 96 4.578 12.455 18.082 1.00 0.00 O +ATOM 1824 H1 HOH B 96 5.495 12.128 18.182 1.00 0.00 H +ATOM 1825 H2 HOH B 96 3.929 11.719 18.044 1.00 0.00 H +ATOM 1826 O HOH B 97 22.939 27.609 10.347 1.00 0.00 O +ATOM 1827 H1 HOH B 97 22.832 27.442 11.306 1.00 0.00 H +ATOM 1828 H2 HOH B 97 23.169 28.546 10.162 1.00 0.00 H +ATOM 1829 O HOH B 98 19.102 15.472 23.624 1.00 0.00 O +ATOM 1830 H1 HOH B 98 19.135 14.615 24.097 1.00 0.00 H +ATOM 1831 H2 HOH B 98 19.813 15.546 22.950 1.00 0.00 H +ATOM 1832 O HOH B 99 23.647 0.608 14.114 1.00 0.00 O +ATOM 1833 H1 HOH B 99 24.448 0.998 14.520 1.00 0.00 H +ATOM 1834 H2 HOH B 99 23.653 0.692 13.136 1.00 0.00 H +ATOM 1835 O HOH B 100 7.298 15.153 6.755 1.00 0.00 O +ATOM 1836 H1 HOH B 100 7.628 15.108 5.834 1.00 0.00 H +ATOM 1837 H2 HOH B 100 6.319 15.208 6.792 1.00 0.00 H +ATOM 1838 O HOH B 101 2.896 18.844 2.891 1.00 0.00 O +ATOM 1839 H1 HOH B 101 3.096 19.409 2.117 1.00 0.00 H +ATOM 1840 H2 HOH B 101 3.469 18.047 2.921 1.00 0.00 H +ATOM 1841 O HOH B 102 24.475 5.508 26.903 1.00 0.00 O +ATOM 1842 H1 HOH B 102 23.530 5.258 26.964 1.00 0.00 H +ATOM 1843 H2 HOH B 102 25.034 4.757 26.608 1.00 0.00 H +ATOM 1844 O HOH B 103 11.388 19.210 20.953 1.00 0.00 O +ATOM 1845 H1 HOH B 103 10.917 20.009 20.637 1.00 0.00 H +ATOM 1846 H2 HOH B 103 10.777 18.452 21.080 1.00 0.00 H +ATOM 1847 O HOH B 104 27.598 12.310 22.927 1.00 0.00 O +ATOM 1848 H1 HOH B 104 27.149 13.081 23.332 1.00 0.00 H +ATOM 1849 H2 HOH B 104 28.437 12.092 23.387 1.00 0.00 H +ATOM 1850 O HOH B 105 0.949 9.954 7.069 1.00 0.00 O +ATOM 1851 H1 HOH B 105 1.136 9.067 7.438 1.00 0.00 H +ATOM 1852 H2 HOH B 105 0.000 10.066 6.844 1.00 0.00 H +ATOM 1853 O HOH B 106 17.042 14.786 3.787 1.00 0.00 O +ATOM 1854 H1 HOH B 106 17.797 14.939 4.392 1.00 0.00 H +ATOM 1855 H2 HOH B 106 16.565 13.954 3.999 1.00 0.00 H +ATOM 1856 O HOH B 107 7.711 22.594 25.131 1.00 0.00 O +ATOM 1857 H1 HOH B 107 8.272 21.794 25.188 1.00 0.00 H +ATOM 1858 H2 HOH B 107 6.825 22.395 24.760 1.00 0.00 H +ATOM 1859 O HOH B 108 1.994 22.392 5.368 1.00 0.00 O +ATOM 1860 H1 HOH B 108 1.895 21.826 6.161 1.00 0.00 H +ATOM 1861 H2 HOH B 108 2.865 22.265 4.934 1.00 0.00 H +ATOM 1862 O HOH B 109 13.907 1.498 0.544 1.00 0.00 O +ATOM 1863 H1 HOH B 109 12.934 1.415 0.470 1.00 0.00 H +ATOM 1864 H2 HOH B 109 14.306 0.733 1.013 1.00 0.00 H +ATOM 1865 O HOH B 110 8.581 24.610 17.365 1.00 0.00 O +ATOM 1866 H1 HOH B 110 8.443 23.806 17.906 1.00 0.00 H +ATOM 1867 H2 HOH B 110 9.351 25.133 17.677 1.00 0.00 H +ATOM 1868 O HOH B 111 4.633 5.648 6.508 1.00 0.00 O +ATOM 1869 H1 HOH B 111 3.902 5.263 7.034 1.00 0.00 H +ATOM 1870 H2 HOH B 111 4.424 5.667 5.549 1.00 0.00 H +ATOM 1871 O HOH B 112 14.100 5.220 13.333 1.00 0.00 O +ATOM 1872 H1 HOH B 112 14.285 4.258 13.332 1.00 0.00 H +ATOM 1873 H2 HOH B 112 14.885 5.743 13.604 1.00 0.00 H +ATOM 1874 O HOH B 113 17.800 0.909 26.756 1.00 0.00 O +ATOM 1875 H1 HOH B 113 16.951 1.248 27.106 1.00 0.00 H +ATOM 1876 H2 HOH B 113 18.387 1.636 26.453 1.00 0.00 H +ATOM 1877 O HOH B 114 9.482 18.041 16.918 1.00 0.00 O +ATOM 1878 H1 HOH B 114 9.650 19.005 16.948 1.00 0.00 H +ATOM 1879 H2 HOH B 114 8.523 17.834 16.954 1.00 0.00 H +ATOM 1880 O HOH B 115 11.007 14.362 14.920 1.00 0.00 O +ATOM 1881 H1 HOH B 115 10.080 14.162 14.679 1.00 0.00 H +ATOM 1882 H2 HOH B 115 11.103 14.557 15.877 1.00 0.00 H +ATOM 1883 O HOH B 116 14.419 4.788 11.200 1.00 0.00 O +ATOM 1884 H1 HOH B 116 13.757 5.510 11.181 1.00 0.00 H +ATOM 1885 H2 HOH B 116 14.005 3.907 11.074 1.00 0.00 H +ATOM 1886 O HOH B 117 26.794 5.041 11.768 1.00 0.00 O +ATOM 1887 H1 HOH B 117 26.052 5.652 11.578 1.00 0.00 H +ATOM 1888 H2 HOH B 117 27.663 5.497 11.728 1.00 0.00 H +ATOM 1889 O HOH B 118 13.203 8.831 27.038 1.00 0.00 O +ATOM 1890 H1 HOH B 118 12.322 8.414 26.945 1.00 0.00 H +ATOM 1891 H2 HOH B 118 13.922 8.246 26.713 1.00 0.00 H +ATOM 1892 O HOH B 119 -0.003 26.026 18.865 1.00 0.00 O +ATOM 1893 H1 HOH B 119 0.046 26.753 19.519 1.00 0.00 H +ATOM 1894 H2 HOH B 119 0.323 25.177 19.236 1.00 0.00 H +ATOM 1895 O HOH B 120 14.480 12.015 4.944 1.00 0.00 O +ATOM 1896 H1 HOH B 120 15.245 11.481 5.239 1.00 0.00 H +ATOM 1897 H2 HOH B 120 14.754 12.761 4.367 1.00 0.00 H +ATOM 1898 O HOH B 121 14.464 13.312 14.970 1.00 0.00 O +ATOM 1899 H1 HOH B 121 14.847 14.141 15.324 1.00 0.00 H +ATOM 1900 H2 HOH B 121 15.160 12.684 14.676 1.00 0.00 H +ATOM 1901 O HOH B 122 2.786 15.694 17.546 1.00 0.00 O +ATOM 1902 H1 HOH B 122 1.979 15.231 17.850 1.00 0.00 H +ATOM 1903 H2 HOH B 122 2.993 16.474 18.105 1.00 0.00 H +ATOM 1904 O HOH B 123 27.410 5.540 26.484 1.00 0.00 O +ATOM 1905 H1 HOH B 123 28.065 5.167 25.859 1.00 0.00 H +ATOM 1906 H2 HOH B 123 27.315 4.985 27.289 1.00 0.00 H +ATOM 1907 O HOH B 124 6.430 16.916 3.687 1.00 0.00 O +ATOM 1908 H1 HOH B 124 6.430 16.411 4.526 1.00 0.00 H +ATOM 1909 H2 HOH B 124 6.263 17.872 3.836 1.00 0.00 H +ATOM 1910 O HOH B 125 5.544 25.666 16.586 1.00 0.00 O +ATOM 1911 H1 HOH B 125 5.724 25.620 17.548 1.00 0.00 H +ATOM 1912 H2 HOH B 125 5.183 24.820 16.241 1.00 0.00 H +ATOM 1913 O HOH B 126 25.443 23.162 4.611 1.00 0.00 O +ATOM 1914 H1 HOH B 126 25.275 22.201 4.532 1.00 0.00 H +ATOM 1915 H2 HOH B 126 24.608 23.680 4.629 1.00 0.00 H +ATOM 1916 O HOH B 127 23.424 2.985 16.992 1.00 0.00 O +ATOM 1917 H1 HOH B 127 22.477 3.079 17.221 1.00 0.00 H +ATOM 1918 H2 HOH B 127 23.830 3.846 16.752 1.00 0.00 H +ATOM 1919 O HOH B 128 23.627 10.573 10.623 1.00 0.00 O +ATOM 1920 H1 HOH B 128 22.717 10.929 10.563 1.00 0.00 H +ATOM 1921 H2 HOH B 128 23.653 9.605 10.459 1.00 0.00 H +TER 1922 HOH B 128 +ENDMDL +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 +CONECT 240 232 +CONECT 241 242 245 246 247 +CONECT 242 241 243 248 249 +CONECT 243 242 244 250 251 +CONECT 244 243 252 +CONECT 245 241 +CONECT 246 241 +CONECT 247 241 +CONECT 248 242 +CONECT 249 242 +CONECT 250 243 +CONECT 251 243 +CONECT 252 244 +CONECT 253 254 257 258 259 +CONECT 254 253 255 260 261 +CONECT 255 254 256 262 263 +CONECT 256 255 264 +CONECT 257 253 +CONECT 258 253 +CONECT 259 253 +CONECT 260 254 +CONECT 261 254 +CONECT 262 255 +CONECT 263 255 +CONECT 264 256 +CONECT 265 266 269 270 271 +CONECT 266 265 267 272 273 +CONECT 267 266 268 274 275 +CONECT 268 267 276 +CONECT 269 265 +CONECT 270 265 +CONECT 271 265 +CONECT 272 266 +CONECT 273 266 +CONECT 274 267 +CONECT 275 267 +CONECT 276 268 +CONECT 277 278 281 282 283 +CONECT 278 277 279 284 285 +CONECT 279 278 280 286 287 +CONECT 280 279 288 +CONECT 281 277 +CONECT 282 277 +CONECT 283 277 +CONECT 284 278 +CONECT 285 278 +CONECT 286 279 +CONECT 287 279 +CONECT 288 280 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+CONECT 1237 1238 1241 1242 1243 +CONECT 1238 1237 1239 1244 1245 +CONECT 1239 1238 1240 1246 1247 +CONECT 1240 1239 1248 +CONECT 1241 1237 +CONECT 1242 1237 +CONECT 1243 1237 +CONECT 1244 1238 +CONECT 1245 1238 +CONECT 1246 1239 +CONECT 1247 1239 +CONECT 1248 1240 +CONECT 1249 1250 1253 1254 1255 +CONECT 1250 1249 1251 1256 1257 +CONECT 1251 1250 1252 1258 1259 +CONECT 1252 1251 1260 +CONECT 1253 1249 +CONECT 1254 1249 +CONECT 1255 1249 +CONECT 1256 1250 +CONECT 1257 1250 +CONECT 1258 1251 +CONECT 1259 1251 +CONECT 1260 1252 +CONECT 1261 1262 1265 1266 1267 +CONECT 1262 1261 1263 1268 1269 +CONECT 1263 1262 1264 1270 1271 +CONECT 1264 1263 1272 +CONECT 1265 1261 +CONECT 1266 1261 +CONECT 1267 1261 +CONECT 1268 1262 +CONECT 1269 1262 +CONECT 1270 1263 +CONECT 1271 1263 +CONECT 1272 1264 +CONECT 1273 1274 1277 1278 1279 +CONECT 1274 1273 1275 1280 1281 +CONECT 1275 1274 1276 1282 1283 +CONECT 1276 1275 1284 +CONECT 1277 1273 +CONECT 1278 1273 +CONECT 1279 1273 +CONECT 1280 1274 +CONECT 1281 1274 +CONECT 1282 1275 +CONECT 1283 1275 +CONECT 1284 1276 +CONECT 1285 1286 1289 1290 1291 +CONECT 1286 1285 1287 1292 1293 +CONECT 1287 1286 1288 1294 1295 +CONECT 1288 1287 1296 +CONECT 1289 1285 +CONECT 1290 1285 +CONECT 1291 1285 +CONECT 1292 1286 +CONECT 1293 1286 +CONECT 1294 1287 +CONECT 1295 1287 +CONECT 1296 1288 +CONECT 1297 1298 1301 1302 1303 +CONECT 1298 1297 1299 1304 1305 +CONECT 1299 1298 1300 1306 1307 +CONECT 1300 1299 1308 +CONECT 1301 1297 +CONECT 1302 1297 +CONECT 1303 1297 +CONECT 1304 1298 +CONECT 1305 1298 +CONECT 1306 1299 +CONECT 1307 1299 +CONECT 1308 1300 +CONECT 1309 1310 1313 1314 1315 +CONECT 1310 1309 1311 1316 1317 +CONECT 1311 1310 1312 1318 1319 +CONECT 1312 1311 1320 +CONECT 1313 1309 +CONECT 1314 1309 +CONECT 1315 1309 +CONECT 1316 1310 +CONECT 1317 1310 +CONECT 1318 1311 +CONECT 1319 1311 +CONECT 1320 1312 +CONECT 1321 1322 1325 1326 1327 +CONECT 1322 1321 1323 1328 1329 +CONECT 1323 1322 1324 1330 1331 +CONECT 1324 1323 1332 +CONECT 1325 1321 +CONECT 1326 1321 +CONECT 1327 1321 +CONECT 1328 1322 +CONECT 1329 1322 +CONECT 1330 1323 +CONECT 1331 1323 +CONECT 1332 1324 +CONECT 1333 1334 1337 1338 1339 +CONECT 1334 1333 1335 1340 1341 +CONECT 1335 1334 1336 1342 1343 +CONECT 1336 1335 1344 +CONECT 1337 1333 +CONECT 1338 1333 +CONECT 1339 1333 +CONECT 1340 1334 +CONECT 1341 1334 +CONECT 1342 1335 +CONECT 1343 1335 +CONECT 1344 1336 +CONECT 1345 1346 1349 1350 1351 +CONECT 1346 1345 1347 1352 1353 +CONECT 1347 1346 1348 1354 1355 +CONECT 1348 1347 1356 +CONECT 1349 1345 +CONECT 1350 1345 +CONECT 1351 1345 +CONECT 1352 1346 +CONECT 1353 1346 +CONECT 1354 1347 +CONECT 1355 1347 +CONECT 1356 1348 +CONECT 1357 1358 1361 1362 1363 +CONECT 1358 1357 1359 1364 1365 +CONECT 1359 1358 1360 1366 1367 +CONECT 1360 1359 1368 +CONECT 1361 1357 +CONECT 1362 1357 +CONECT 1363 1357 +CONECT 1364 1358 +CONECT 1365 1358 +CONECT 1366 1359 +CONECT 1367 1359 +CONECT 1368 1360 +CONECT 1369 1370 1373 1374 1375 +CONECT 1370 1369 1371 1376 1377 +CONECT 1371 1370 1372 1378 1379 +CONECT 1372 1371 1380 +CONECT 1373 1369 +CONECT 1374 1369 +CONECT 1375 1369 +CONECT 1376 1370 +CONECT 1377 1370 +CONECT 1378 1371 +CONECT 1379 1371 +CONECT 1380 1372 +CONECT 1381 1382 1385 1386 1387 +CONECT 1382 1381 1383 1388 1389 +CONECT 1383 1382 1384 1390 1391 +CONECT 1384 1383 1392 +CONECT 1385 1381 +CONECT 1386 1381 +CONECT 1387 1381 +CONECT 1388 1382 +CONECT 1389 1382 +CONECT 1390 1383 +CONECT 1391 1383 +CONECT 1392 1384 +CONECT 1393 1394 1397 1398 1399 +CONECT 1394 1393 1395 1400 1401 +CONECT 1395 1394 1396 1402 1403 +CONECT 1396 1395 1404 +CONECT 1397 1393 +CONECT 1398 1393 +CONECT 1399 1393 +CONECT 1400 1394 +CONECT 1401 1394 +CONECT 1402 1395 +CONECT 1403 1395 +CONECT 1404 1396 +CONECT 1405 1406 1409 1410 1411 +CONECT 1406 1405 1407 1412 1413 +CONECT 1407 1406 1408 1414 1415 +CONECT 1408 1407 1416 +CONECT 1409 1405 +CONECT 1410 1405 +CONECT 1411 1405 +CONECT 1412 1406 +CONECT 1413 1406 +CONECT 1414 1407 +CONECT 1415 1407 +CONECT 1416 1408 +CONECT 1417 1418 1421 1422 1423 +CONECT 1418 1417 1419 1424 1425 +CONECT 1419 1418 1420 1426 1427 +CONECT 1420 1419 1428 +CONECT 1421 1417 +CONECT 1422 1417 +CONECT 1423 1417 +CONECT 1424 1418 +CONECT 1425 1418 +CONECT 1426 1419 +CONECT 1427 1419 +CONECT 1428 1420 +CONECT 1429 1430 1433 1434 1435 +CONECT 1430 1429 1431 1436 1437 +CONECT 1431 1430 1432 1438 1439 +CONECT 1432 1431 1440 +CONECT 1433 1429 +CONECT 1434 1429 +CONECT 1435 1429 +CONECT 1436 1430 +CONECT 1437 1430 +CONECT 1438 1431 +CONECT 1439 1431 +CONECT 1440 1432 +CONECT 1441 1442 1445 1446 1447 +CONECT 1442 1441 1443 1448 1449 +CONECT 1443 1442 1444 1450 1451 +CONECT 1444 1443 1452 +CONECT 1445 1441 +CONECT 1446 1441 +CONECT 1447 1441 +CONECT 1448 1442 +CONECT 1449 1442 +CONECT 1450 1443 +CONECT 1451 1443 +CONECT 1452 1444 +CONECT 1453 1454 1457 1458 1459 +CONECT 1454 1453 1455 1460 1461 +CONECT 1455 1454 1456 1462 1463 +CONECT 1456 1455 1464 +CONECT 1457 1453 +CONECT 1458 1453 +CONECT 1459 1453 +CONECT 1460 1454 +CONECT 1461 1454 +CONECT 1462 1455 +CONECT 1463 1455 +CONECT 1464 1456 +CONECT 1465 1466 1469 1470 1471 +CONECT 1466 1465 1467 1472 1473 +CONECT 1467 1466 1468 1474 1475 +CONECT 1468 1467 1476 +CONECT 1469 1465 +CONECT 1470 1465 +CONECT 1471 1465 +CONECT 1472 1466 +CONECT 1473 1466 +CONECT 1474 1467 +CONECT 1475 1467 +CONECT 1476 1468 +CONECT 1477 1478 1481 1482 1483 +CONECT 1478 1477 1479 1484 1485 +CONECT 1479 1478 1480 1486 1487 +CONECT 1480 1479 1488 +CONECT 1481 1477 +CONECT 1482 1477 +CONECT 1483 1477 +CONECT 1484 1478 +CONECT 1485 1478 +CONECT 1486 1479 +CONECT 1487 1479 +CONECT 1488 1480 +CONECT 1489 1490 1493 1494 1495 +CONECT 1490 1489 1491 1496 1497 +CONECT 1491 1490 1492 1498 1499 +CONECT 1492 1491 1500 +CONECT 1493 1489 +CONECT 1494 1489 +CONECT 1495 1489 +CONECT 1496 1490 +CONECT 1497 1490 +CONECT 1498 1491 +CONECT 1499 1491 +CONECT 1500 1492 +CONECT 1501 1502 1505 1506 1507 +CONECT 1502 1501 1503 1508 1509 +CONECT 1503 1502 1504 1510 1511 +CONECT 1504 1503 1512 +CONECT 1505 1501 +CONECT 1506 1501 +CONECT 1507 1501 +CONECT 1508 1502 +CONECT 1509 1502 +CONECT 1510 1503 +CONECT 1511 1503 +CONECT 1512 1504 +CONECT 1513 1514 1517 1518 1519 +CONECT 1514 1513 1515 1520 1521 +CONECT 1515 1514 1516 1522 1523 +CONECT 1516 1515 1524 +CONECT 1517 1513 +CONECT 1518 1513 +CONECT 1519 1513 +CONECT 1520 1514 +CONECT 1521 1514 +CONECT 1522 1515 +CONECT 1523 1515 +CONECT 1524 1516 +CONECT 1525 1526 1529 1530 1531 +CONECT 1526 1525 1527 1532 1533 +CONECT 1527 1526 1528 1534 1535 +CONECT 1528 1527 1536 +CONECT 1529 1525 +CONECT 1530 1525 +CONECT 1531 1525 +CONECT 1532 1526 +CONECT 1533 1526 +CONECT 1534 1527 +CONECT 1535 1527 +CONECT 1536 1528 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_calculate_excess_observable/1|calculate_excess_observable_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_calculate_excess_observable/1|calculate_excess_observable_output.json new file mode 100644 index 00000000..cd510430 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_calculate_excess_observable/1|calculate_excess_observable_output.json @@ -0,0 +1 @@ +{".result": {"value": {"value": {"value": 1.1284170987356572, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "error": {"value": 0.05696176443470309, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "@type": "openff.evaluator.unit.Measurement"}, "gradients": [], "@type": "openff.evaluator.utils.observables.Observable"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/0_average_density/0|average_density_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/0_average_density/0|average_density_output.json new file mode 100644 index 00000000..dbd4961a --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/0_average_density/0|average_density_output.json @@ -0,0 +1 @@ +{".value": {"value": {"value": {"value": 0.7983553778549055, "unit": "gram / milliliter", "@type": "openff.evaluator.unit.Quantity"}, "error": {"value": 0.000551684797512758, "unit": "gram / milliliter", "@type": "openff.evaluator.unit.Quantity"}, "@type": "openff.evaluator.unit.Measurement"}, "gradients": [], "@type": "openff.evaluator.utils.observables.Observable"}, ".time_series_statistics": {"n_total_points": 500, "n_uncorrelated_points": 250, "statistical_inefficiency": 1.8244861600135363, "equilibration_index": 0, "@type": "openff.evaluator.utils.timeseries.TimeSeriesStatistics"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_extract_observable_component_0/1|extract_observable_component_0_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_extract_observable_component_0/1|extract_observable_component_0_output.json new file mode 100644 index 00000000..0235f8e3 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_extract_observable_component_0/1|extract_observable_component_0_output.json @@ -0,0 +1 @@ +{".value": {"value": {"value": {"value": 23.584361850836675, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "error": {"value": 0.055346622124868426, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "@type": "openff.evaluator.unit.Measurement"}, "gradients": [], "@type": "openff.evaluator.utils.observables.Observable"}, ".time_series_statistics": {"n_total_points": 500, "n_uncorrelated_points": 247, "statistical_inefficiency": 1.9220124202308821, "equilibration_index": 7, "@type": "openff.evaluator.utils.timeseries.TimeSeriesStatistics"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/1|production_simulation_component_0_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/1|production_simulation_component_0_output.json new file mode 100644 index 00000000..d3811a52 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/1|production_simulation_component_0_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_conditional_group_component_0/1_production_simulation_component_0/output.pdb", ".trajectory_file_path": "1_conditional_group_component_0/1_production_simulation_component_0/trajectory.dcd", ".observables": {"observables": 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1.00 0.00 C +HETATM 15 C3 UFX A 2 7.246 19.081 -2.357 1.00 0.00 C +HETATM 16 O1 UFX A 2 8.482 19.157 -3.117 1.00 0.00 O +HETATM 17 H1 UFX A 2 4.943 20.641 -1.677 1.00 0.00 H +HETATM 18 H2 UFX A 2 5.684 19.887 -0.256 1.00 0.00 H +HETATM 19 H3 UFX A 2 5.627 21.663 -0.503 1.00 0.00 H +HETATM 20 H4 UFX A 2 6.901 21.158 -2.692 1.00 0.00 H +HETATM 21 H5 UFX A 2 7.844 20.797 -1.188 1.00 0.00 H +HETATM 22 H6 UFX A 2 6.361 18.765 -2.909 1.00 0.00 H +HETATM 23 H7 UFX A 2 7.301 18.402 -1.505 1.00 0.00 H +HETATM 24 H8 UFX A 2 8.502 19.933 -3.717 1.00 0.00 H +HETATM 25 C1 UFX A 3 2.868 17.585 33.623 1.00 0.00 C +HETATM 26 C2 UFX A 3 1.972 18.168 32.607 1.00 0.00 C +HETATM 27 C3 UFX A 3 1.023 19.121 33.299 1.00 0.00 C +HETATM 28 O1 UFX A 3 0.214 19.804 32.266 1.00 0.00 O +HETATM 29 H1 UFX A 3 2.424 17.093 34.489 1.00 0.00 H +HETATM 30 H2 UFX A 3 3.449 16.800 33.139 1.00 0.00 H +HETATM 31 H3 UFX A 3 3.522 18.365 34.012 1.00 0.00 H +HETATM 32 H4 UFX A 3 2.550 18.805 31.937 1.00 0.00 H +HETATM 33 H5 UFX A 3 1.429 17.474 31.966 1.00 0.00 H +HETATM 34 H6 UFX A 3 1.490 19.742 34.063 1.00 0.00 H +HETATM 35 H7 UFX A 3 0.339 18.507 33.886 1.00 0.00 H +HETATM 36 H8 UFX A 3 -0.609 20.129 32.691 1.00 0.00 H +HETATM 37 C1 UFX A 4 11.900 16.497 17.340 1.00 0.00 C +HETATM 38 C2 UFX A 4 10.772 16.259 18.282 1.00 0.00 C +HETATM 39 C3 UFX A 4 9.760 17.300 18.029 1.00 0.00 C +HETATM 40 O1 UFX A 4 10.272 18.581 18.310 1.00 0.00 O +HETATM 41 H1 UFX A 4 12.737 15.860 17.629 1.00 0.00 H +HETATM 42 H2 UFX A 4 11.612 16.343 16.300 1.00 0.00 H +HETATM 43 H3 UFX A 4 12.362 17.448 17.606 1.00 0.00 H +HETATM 44 H4 UFX A 4 10.308 15.306 18.024 1.00 0.00 H +HETATM 45 H5 UFX A 4 11.144 16.481 19.282 1.00 0.00 H +HETATM 46 H6 UFX A 4 8.979 17.073 18.755 1.00 0.00 H +HETATM 47 H7 UFX A 4 9.314 17.214 17.038 1.00 0.00 H +HETATM 48 H8 UFX A 4 10.689 18.605 19.198 1.00 0.00 H +HETATM 49 C1 UFX A 5 -0.611 22.639 8.948 1.00 0.00 C +HETATM 50 C2 UFX A 5 -1.307 21.222 8.782 1.00 0.00 C +HETATM 51 C3 UFX A 5 -0.566 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UFX A 6 8.726 15.885 4.241 1.00 0.00 H +HETATM 71 H7 UFX A 6 10.321 16.656 4.204 1.00 0.00 H +HETATM 72 H8 UFX A 6 10.761 15.411 2.268 1.00 0.00 H +HETATM 73 C1 UFX A 7 31.198 -3.266 19.817 1.00 0.00 C +HETATM 74 C2 UFX A 7 29.841 -2.755 20.328 1.00 0.00 C +HETATM 75 C3 UFX A 7 28.737 -3.136 19.356 1.00 0.00 C +HETATM 76 O1 UFX A 7 27.497 -3.027 20.001 1.00 0.00 O +HETATM 77 H1 UFX A 7 31.086 -4.273 19.416 1.00 0.00 H +HETATM 78 H2 UFX A 7 31.566 -2.579 19.054 1.00 0.00 H +HETATM 79 H3 UFX A 7 31.899 -3.347 20.649 1.00 0.00 H +HETATM 80 H4 UFX A 7 29.602 -3.178 21.304 1.00 0.00 H +HETATM 81 H5 UFX A 7 29.773 -1.673 20.439 1.00 0.00 H +HETATM 82 H6 UFX A 7 28.930 -4.180 19.108 1.00 0.00 H +HETATM 83 H7 UFX A 7 28.813 -2.549 18.441 1.00 0.00 H +HETATM 84 H8 UFX A 7 26.755 -3.136 19.369 1.00 0.00 H +HETATM 85 C1 UFX A 8 29.746 20.934 13.742 1.00 0.00 C +HETATM 86 C2 UFX A 8 30.744 22.148 13.917 1.00 0.00 C +HETATM 87 C3 UFX A 8 32.132 21.701 14.332 1.00 0.00 C +HETATM 88 O1 UFX A 8 32.160 21.359 15.743 1.00 0.00 O +HETATM 89 H1 UFX A 8 28.746 21.360 13.660 1.00 0.00 H +HETATM 90 H2 UFX A 8 30.007 20.366 12.848 1.00 0.00 H +HETATM 91 H3 UFX A 8 29.782 20.267 14.604 1.00 0.00 H +HETATM 92 H4 UFX A 8 30.780 22.776 13.027 1.00 0.00 H +HETATM 93 H5 UFX A 8 30.349 22.754 14.732 1.00 0.00 H +HETATM 94 H6 UFX A 8 32.806 22.532 14.119 1.00 0.00 H +HETATM 95 H7 UFX A 8 32.370 20.851 13.692 1.00 0.00 H +HETATM 96 H8 UFX A 8 32.237 22.170 16.289 1.00 0.00 H +HETATM 97 C1 UFX A 9 9.180 30.449 15.199 1.00 0.00 C +HETATM 98 C2 UFX A 9 10.450 30.390 14.339 1.00 0.00 C +HETATM 99 C3 UFX A 9 10.102 30.429 12.828 1.00 0.00 C +HETATM 100 O1 UFX A 9 9.135 29.507 12.427 1.00 0.00 O +HETATM 101 H1 UFX A 9 8.648 31.386 15.034 1.00 0.00 H +HETATM 102 H2 UFX A 9 8.465 29.634 15.088 1.00 0.00 H +HETATM 103 H3 UFX A 9 9.429 30.432 16.260 1.00 0.00 H +HETATM 104 H4 UFX A 9 11.058 31.265 14.565 1.00 0.00 H +HETATM 105 H5 UFX A 9 11.040 29.489 14.511 1.00 0.00 H +HETATM 106 H6 UFX A 9 11.031 30.226 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31.620 1.00 0.00 O +HETATM 125 H1 UFX A 11 21.028 34.071 29.423 1.00 0.00 H +HETATM 126 H2 UFX A 11 22.087 32.786 29.172 1.00 0.00 H +HETATM 127 H3 UFX A 11 21.491 33.229 30.805 1.00 0.00 H +HETATM 128 H4 UFX A 11 23.371 35.281 29.332 1.00 0.00 H +HETATM 129 H5 UFX A 11 22.885 35.200 31.006 1.00 0.00 H +HETATM 130 H6 UFX A 11 25.199 34.464 30.703 1.00 0.00 H +HETATM 131 H7 UFX A 11 24.626 33.359 29.542 1.00 0.00 H +HETATM 132 H8 UFX A 11 23.379 32.295 31.377 1.00 0.00 H +HETATM 133 C1 UFX A 12 7.746 4.334 5.614 1.00 0.00 C +HETATM 134 C2 UFX A 12 8.577 5.156 6.688 1.00 0.00 C +HETATM 135 C3 UFX A 12 9.446 4.157 7.458 1.00 0.00 C +HETATM 136 O1 UFX A 12 10.153 4.766 8.478 1.00 0.00 O +HETATM 137 H1 UFX A 12 6.807 4.032 6.078 1.00 0.00 H +HETATM 138 H2 UFX A 12 7.569 5.006 4.773 1.00 0.00 H +HETATM 139 H3 UFX A 12 8.371 3.545 5.195 1.00 0.00 H +HETATM 140 H4 UFX A 12 9.234 5.847 6.158 1.00 0.00 H +HETATM 141 H5 UFX A 12 7.924 5.754 7.324 1.00 0.00 H +HETATM 142 H6 UFX A 12 10.140 3.614 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+HETATM 214 H6 UFX A 18 29.688 5.464 1.073 1.00 0.00 H +HETATM 215 H7 UFX A 18 28.669 4.710 2.444 1.00 0.00 H +HETATM 216 H8 UFX A 18 27.986 4.634 -0.388 1.00 0.00 H +HETATM 217 C1 UFX A 19 24.185 8.347 30.373 1.00 0.00 C +HETATM 218 C2 UFX A 19 23.671 6.918 30.216 1.00 0.00 C +HETATM 219 C3 UFX A 19 22.862 6.574 28.961 1.00 0.00 C +HETATM 220 O1 UFX A 19 23.778 6.423 27.845 1.00 0.00 O +HETATM 221 H1 UFX A 19 23.461 9.161 30.413 1.00 0.00 H +HETATM 222 H2 UFX A 19 24.782 8.338 31.285 1.00 0.00 H +HETATM 223 H3 UFX A 19 24.938 8.545 29.610 1.00 0.00 H +HETATM 224 H4 UFX A 19 24.444 6.149 30.236 1.00 0.00 H +HETATM 225 H5 UFX A 19 23.019 6.653 31.049 1.00 0.00 H +HETATM 226 H6 UFX A 19 22.119 7.351 28.779 1.00 0.00 H +HETATM 227 H7 UFX A 19 22.308 5.652 29.136 1.00 0.00 H +HETATM 228 H8 UFX A 19 24.051 7.326 27.575 1.00 0.00 H +HETATM 229 C1 UFX A 20 10.966 5.737 14.975 1.00 0.00 C +HETATM 230 C2 UFX A 20 10.513 5.617 13.449 1.00 0.00 C +HETATM 231 C3 UFX A 20 11.233 6.579 12.567 1.00 0.00 C +HETATM 232 O1 UFX A 20 12.699 6.298 12.327 1.00 0.00 O +HETATM 233 H1 UFX A 20 10.474 6.656 15.293 1.00 0.00 H +HETATM 234 H2 UFX A 20 10.404 4.943 15.468 1.00 0.00 H +HETATM 235 H3 UFX A 20 12.048 5.714 15.101 1.00 0.00 H +HETATM 236 H4 UFX A 20 10.623 4.571 13.162 1.00 0.00 H +HETATM 237 H5 UFX A 20 9.444 5.826 13.479 1.00 0.00 H +HETATM 238 H6 UFX A 20 11.100 7.545 13.055 1.00 0.00 H +HETATM 239 H7 UFX A 20 10.738 6.632 11.597 1.00 0.00 H +HETATM 240 H8 UFX A 20 12.871 5.826 11.484 1.00 0.00 H +HETATM 241 C1 UFX A 21 18.178 12.309 1.793 1.00 0.00 C +HETATM 242 C2 UFX A 21 19.042 12.092 3.085 1.00 0.00 C +HETATM 243 C3 UFX A 21 19.277 13.488 3.750 1.00 0.00 C +HETATM 244 O1 UFX A 21 18.107 14.344 3.870 1.00 0.00 O +HETATM 245 H1 UFX A 21 17.113 12.476 1.954 1.00 0.00 H +HETATM 246 H2 UFX A 21 18.460 13.152 1.162 1.00 0.00 H +HETATM 247 H3 UFX A 21 18.248 11.410 1.182 1.00 0.00 H +HETATM 248 H4 UFX A 21 18.570 11.383 3.764 1.00 0.00 H +HETATM 249 H5 UFX A 21 20.012 11.644 2.866 1.00 0.00 H +HETATM 250 H6 UFX A 21 20.000 14.077 3.186 1.00 0.00 H +HETATM 251 H7 UFX A 21 19.586 13.474 4.796 1.00 0.00 H +HETATM 252 H8 UFX A 21 18.392 15.250 4.117 1.00 0.00 H +HETATM 253 C1 UFX A 22 32.652 12.835 2.982 1.00 0.00 C +HETATM 254 C2 UFX A 22 31.552 12.796 1.902 1.00 0.00 C +HETATM 255 C3 UFX A 22 32.027 12.055 0.581 1.00 0.00 C +HETATM 256 O1 UFX A 22 33.267 12.490 0.171 1.00 0.00 O +HETATM 257 H1 UFX A 22 33.605 13.104 2.526 1.00 0.00 H +HETATM 258 H2 UFX A 22 32.395 13.504 3.804 1.00 0.00 H +HETATM 259 H3 UFX A 22 32.850 11.826 3.346 1.00 0.00 H +HETATM 260 H4 UFX A 22 30.669 12.328 2.338 1.00 0.00 H +HETATM 261 H5 UFX A 22 31.268 13.822 1.667 1.00 0.00 H +HETATM 262 H6 UFX A 22 31.275 12.382 -0.137 1.00 0.00 H +HETATM 263 H7 UFX A 22 32.046 10.975 0.728 1.00 0.00 H +HETATM 264 H8 UFX A 22 33.662 11.935 -0.536 1.00 0.00 H +HETATM 265 C1 UFX A 23 23.414 12.486 22.720 1.00 0.00 C +HETATM 266 C2 UFX A 23 22.728 13.251 21.587 1.00 0.00 C +HETATM 267 C3 UFX A 23 22.177 14.587 22.063 1.00 0.00 C +HETATM 268 O1 UFX A 23 21.153 14.314 23.010 1.00 0.00 O +HETATM 269 H1 UFX A 23 24.380 12.932 22.956 1.00 0.00 H +HETATM 270 H2 UFX A 23 22.740 12.402 23.573 1.00 0.00 H +HETATM 271 H3 UFX A 23 23.645 11.444 22.498 1.00 0.00 H +HETATM 272 H4 UFX A 23 23.461 13.342 20.785 1.00 0.00 H +HETATM 273 H5 UFX A 23 21.969 12.590 21.168 1.00 0.00 H +HETATM 274 H6 UFX A 23 21.755 14.982 21.139 1.00 0.00 H +HETATM 275 H7 UFX A 23 22.977 15.208 22.466 1.00 0.00 H +HETATM 276 H8 UFX A 23 20.280 14.342 22.563 1.00 0.00 H +HETATM 277 C1 UFX A 24 7.586 6.231 2.418 1.00 0.00 C +HETATM 278 C2 UFX A 24 7.318 6.514 0.955 1.00 0.00 C +HETATM 279 C3 UFX A 24 6.094 5.803 0.396 1.00 0.00 C +HETATM 280 O1 UFX A 24 4.948 6.130 1.215 1.00 0.00 O +HETATM 281 H1 UFX A 24 6.722 6.422 3.055 1.00 0.00 H +HETATM 282 H2 UFX A 24 7.876 5.182 2.471 1.00 0.00 H +HETATM 283 H3 UFX A 24 8.338 6.944 2.759 1.00 0.00 H +HETATM 284 H4 UFX A 24 7.249 7.578 0.726 1.00 0.00 H +HETATM 285 H5 UFX A 24 8.188 6.169 0.396 1.00 0.00 H +HETATM 286 H6 UFX A 24 6.261 4.726 0.396 1.00 0.00 H +HETATM 287 H7 UFX A 24 5.872 6.022 -0.649 1.00 0.00 H +HETATM 288 H8 UFX A 24 4.737 7.088 1.173 1.00 0.00 H +HETATM 289 C1 UFX A 25 8.088 25.505 -1.769 1.00 0.00 C +HETATM 290 C2 UFX A 25 9.163 25.596 -2.847 1.00 0.00 C +HETATM 291 C3 UFX A 25 8.734 26.395 -4.001 1.00 0.00 C +HETATM 292 O1 UFX A 25 9.696 26.008 -5.042 1.00 0.00 O +HETATM 293 H1 UFX A 25 8.449 25.152 -0.803 1.00 0.00 H +HETATM 294 H2 UFX A 25 7.602 26.468 -1.615 1.00 0.00 H +HETATM 295 H3 UFX A 25 7.294 24.864 -2.152 1.00 0.00 H +HETATM 296 H4 UFX A 25 9.986 26.143 -2.386 1.00 0.00 H +HETATM 297 H5 UFX A 25 9.457 24.601 -3.181 1.00 0.00 H +HETATM 298 H6 UFX A 25 8.793 27.466 -3.808 1.00 0.00 H +HETATM 299 H7 UFX A 25 7.718 26.101 -4.266 1.00 0.00 H +HETATM 300 H8 UFX A 25 10.624 26.136 -4.750 1.00 0.00 H +HETATM 301 C1 UFX A 26 30.231 25.351 16.622 1.00 0.00 C +HETATM 302 C2 UFX A 26 30.133 24.088 17.412 1.00 0.00 C +HETATM 303 C3 UFX A 26 31.622 23.860 17.937 1.00 0.00 C +HETATM 304 O1 UFX A 26 32.559 23.668 16.880 1.00 0.00 O +HETATM 305 H1 UFX A 26 30.435 26.161 17.324 1.00 0.00 H +HETATM 306 H2 UFX A 26 30.972 25.254 15.828 1.00 0.00 H +HETATM 307 H3 UFX A 26 29.273 25.580 16.156 1.00 0.00 H +HETATM 308 H4 UFX A 26 29.475 24.283 18.259 1.00 0.00 H +HETATM 309 H5 UFX A 26 29.751 23.249 16.830 1.00 0.00 H +HETATM 310 H6 UFX A 26 31.613 22.936 18.515 1.00 0.00 H +HETATM 311 H7 UFX A 26 31.946 24.606 18.662 1.00 0.00 H +HETATM 312 H8 UFX A 26 32.993 24.473 16.525 1.00 0.00 H +HETATM 313 C1 UFX A 27 7.539 19.336 11.765 1.00 0.00 C +HETATM 314 C2 UFX A 27 8.699 20.228 11.899 1.00 0.00 C +HETATM 315 C3 UFX A 27 10.047 19.533 12.076 1.00 0.00 C +HETATM 316 O1 UFX A 27 10.136 18.642 13.153 1.00 0.00 O +HETATM 317 H1 UFX A 27 7.729 18.599 10.985 1.00 0.00 H +HETATM 318 H2 UFX A 27 7.349 18.779 12.682 1.00 0.00 H +HETATM 319 H3 UFX A 27 6.633 19.876 11.489 1.00 0.00 H +HETATM 320 H4 UFX A 27 8.806 20.816 10.987 1.00 0.00 H +HETATM 321 H5 UFX A 27 8.547 20.896 12.747 1.00 0.00 H +HETATM 322 H6 UFX A 27 10.835 20.269 12.241 1.00 0.00 H +HETATM 323 H7 UFX A 27 10.339 19.009 11.166 1.00 0.00 H +HETATM 324 H8 UFX A 27 9.940 19.119 13.988 1.00 0.00 H +HETATM 325 C1 UFX A 28 17.682 30.587 28.567 1.00 0.00 C +HETATM 326 C2 UFX A 28 17.897 31.143 27.145 1.00 0.00 C +HETATM 327 C3 UFX A 28 16.516 31.568 26.635 1.00 0.00 C +HETATM 328 O1 UFX A 28 16.640 31.911 25.226 1.00 0.00 O +HETATM 329 H1 UFX A 28 16.881 31.122 29.077 1.00 0.00 H +HETATM 330 H2 UFX A 28 17.306 29.563 28.574 1.00 0.00 H +HETATM 331 H3 UFX A 28 18.642 30.683 29.075 1.00 0.00 H +HETATM 332 H4 UFX A 28 18.753 31.817 27.116 1.00 0.00 H +HETATM 333 H5 UFX A 28 18.234 30.340 26.489 1.00 0.00 H +HETATM 334 H6 UFX A 28 16.094 32.334 27.285 1.00 0.00 H +HETATM 335 H7 UFX A 28 15.772 30.779 26.751 1.00 0.00 H +HETATM 336 H8 UFX A 28 16.994 31.118 24.770 1.00 0.00 H +HETATM 337 C1 UFX A 29 22.270 25.800 10.098 1.00 0.00 C +HETATM 338 C2 UFX A 29 23.119 24.785 9.318 1.00 0.00 C +HETATM 339 C3 UFX A 29 22.190 24.052 8.321 1.00 0.00 C +HETATM 340 O1 UFX A 29 21.660 22.869 8.973 1.00 0.00 O +HETATM 341 H1 UFX A 29 21.467 25.220 10.551 1.00 0.00 H +HETATM 342 H2 UFX A 29 22.714 26.391 10.899 1.00 0.00 H +HETATM 343 H3 UFX A 29 21.753 26.414 9.361 1.00 0.00 H +HETATM 344 H4 UFX A 29 23.938 25.323 8.841 1.00 0.00 H +HETATM 345 H5 UFX A 29 23.591 24.040 9.958 1.00 0.00 H +HETATM 346 H6 UFX A 29 22.659 23.677 7.410 1.00 0.00 H +HETATM 347 H7 UFX A 29 21.351 24.682 8.028 1.00 0.00 H +HETATM 348 H8 UFX A 29 20.985 23.125 9.637 1.00 0.00 H +HETATM 349 C1 UFX A 30 21.971 13.940 6.378 1.00 0.00 C +HETATM 350 C2 UFX A 30 22.429 14.356 7.780 1.00 0.00 C +HETATM 351 C3 UFX A 30 22.997 13.198 8.643 1.00 0.00 C +HETATM 352 O1 UFX A 30 21.923 12.441 9.044 1.00 0.00 O +HETATM 353 H1 UFX A 30 21.432 14.791 5.961 1.00 0.00 H +HETATM 354 H2 UFX A 30 22.781 13.748 5.674 1.00 0.00 H +HETATM 355 H3 UFX A 30 21.183 13.187 6.369 1.00 0.00 H +HETATM 356 H4 UFX A 30 23.167 15.146 7.638 1.00 0.00 H +HETATM 357 H5 UFX A 30 21.666 14.841 8.389 1.00 0.00 H +HETATM 358 H6 UFX A 30 23.518 13.637 9.494 1.00 0.00 H +HETATM 359 H7 UFX A 30 23.694 12.625 8.031 1.00 0.00 H +HETATM 360 H8 UFX A 30 22.259 11.794 9.700 1.00 0.00 H +HETATM 361 C1 UFX A 31 -2.414 11.464 12.138 1.00 0.00 C +HETATM 362 C2 UFX A 31 -2.054 12.933 12.494 1.00 0.00 C +HETATM 363 C3 UFX A 31 -1.599 13.747 11.238 1.00 0.00 C +HETATM 364 O1 UFX A 31 -0.401 13.291 10.687 1.00 0.00 O +HETATM 365 H1 UFX A 31 -1.566 10.806 12.329 1.00 0.00 H +HETATM 366 H2 UFX A 31 -3.249 11.027 12.686 1.00 0.00 H +HETATM 367 H3 UFX A 31 -2.738 11.446 11.098 1.00 0.00 H +HETATM 368 H4 UFX A 31 -2.903 13.422 12.973 1.00 0.00 H +HETATM 369 H5 UFX A 31 -1.338 12.926 13.317 1.00 0.00 H +HETATM 370 H6 UFX A 31 -1.582 14.815 11.457 1.00 0.00 H +HETATM 371 H7 UFX A 31 -2.323 13.697 10.425 1.00 0.00 H +HETATM 372 H8 UFX A 31 -0.297 13.774 9.839 1.00 0.00 H +HETATM 373 C1 UFX A 32 24.796 24.784 17.214 1.00 0.00 C +HETATM 374 C2 UFX A 32 24.587 25.623 18.438 1.00 0.00 C +HETATM 375 C3 UFX A 32 25.560 25.318 19.581 1.00 0.00 C +HETATM 376 O1 UFX A 32 25.363 24.015 20.097 1.00 0.00 O +HETATM 377 H1 UFX A 32 24.707 23.729 17.471 1.00 0.00 H +HETATM 378 H2 UFX A 32 24.083 24.989 16.415 1.00 0.00 H +HETATM 379 H3 UFX A 32 25.757 24.970 16.735 1.00 0.00 H +HETATM 380 H4 UFX A 32 24.838 26.625 18.089 1.00 0.00 H +HETATM 381 H5 UFX A 32 23.564 25.552 18.806 1.00 0.00 H +HETATM 382 H6 UFX A 32 25.387 26.009 20.406 1.00 0.00 H +HETATM 383 H7 UFX A 32 26.615 25.505 19.379 1.00 0.00 H +HETATM 384 H8 UFX A 32 24.397 23.841 20.085 1.00 0.00 H +HETATM 385 C1 UFX A 33 10.337 17.095 24.243 1.00 0.00 C +HETATM 386 C2 UFX A 33 10.898 18.290 23.502 1.00 0.00 C +HETATM 387 C3 UFX A 33 10.442 19.553 24.290 1.00 0.00 C +HETATM 388 O1 UFX A 33 8.987 19.838 24.147 1.00 0.00 O +HETATM 389 H1 UFX A 33 10.541 16.198 23.658 1.00 0.00 H +HETATM 390 H2 UFX A 33 10.784 16.987 25.231 1.00 0.00 H +HETATM 391 H3 UFX A 33 9.266 17.242 24.384 1.00 0.00 H +HETATM 392 H4 UFX A 33 11.982 18.209 23.423 1.00 0.00 H +HETATM 393 H5 UFX A 33 10.448 18.319 22.509 1.00 0.00 H +HETATM 394 H6 UFX A 33 10.942 20.469 23.975 1.00 0.00 H +HETATM 395 H7 UFX A 33 10.727 19.492 25.341 1.00 0.00 H +HETATM 396 H8 UFX A 33 8.657 19.782 23.225 1.00 0.00 H +HETATM 397 C1 UFX A 34 12.764 22.130 19.020 1.00 0.00 C +HETATM 398 C2 UFX A 34 12.340 21.059 20.003 1.00 0.00 C +HETATM 399 C3 UFX A 34 10.906 21.141 20.252 1.00 0.00 C +HETATM 400 O1 UFX A 34 10.536 19.872 20.730 1.00 0.00 O +HETATM 401 H1 UFX A 34 12.657 23.146 19.401 1.00 0.00 H +HETATM 402 H2 UFX A 34 13.814 21.930 18.803 1.00 0.00 H +HETATM 403 H3 UFX A 34 12.139 22.114 18.127 1.00 0.00 H +HETATM 404 H4 UFX A 34 12.599 20.099 19.557 1.00 0.00 H +HETATM 405 H5 UFX A 34 12.793 21.261 20.974 1.00 0.00 H +HETATM 406 H6 UFX A 34 10.367 21.223 19.308 1.00 0.00 H +HETATM 407 H7 UFX A 34 10.755 21.963 20.952 1.00 0.00 H +HETATM 408 H8 UFX A 34 9.581 19.655 20.801 1.00 0.00 H +HETATM 409 C1 UFX A 35 15.635 26.829 27.492 1.00 0.00 C +HETATM 410 C2 UFX A 35 14.994 27.062 26.192 1.00 0.00 C +HETATM 411 C3 UFX A 35 13.574 27.692 26.295 1.00 0.00 C +HETATM 412 O1 UFX A 35 12.581 26.887 26.945 1.00 0.00 O +HETATM 413 H1 UFX A 35 15.229 26.044 28.131 1.00 0.00 H +HETATM 414 H2 UFX A 35 16.654 26.555 27.221 1.00 0.00 H +HETATM 415 H3 UFX A 35 15.832 27.701 28.116 1.00 0.00 H +HETATM 416 H4 UFX A 35 15.639 27.591 25.491 1.00 0.00 H +HETATM 417 H5 UFX A 35 14.898 26.071 25.747 1.00 0.00 H +HETATM 418 H6 UFX A 35 13.113 27.917 25.333 1.00 0.00 H +HETATM 419 H7 UFX A 35 13.601 28.665 26.787 1.00 0.00 H +HETATM 420 H8 UFX A 35 12.832 26.801 27.889 1.00 0.00 H +HETATM 421 C1 UFX A 36 18.274 8.345 0.876 1.00 0.00 C +HETATM 422 C2 UFX A 36 16.973 8.374 1.733 1.00 0.00 C +HETATM 423 C3 UFX A 36 15.780 8.546 0.902 1.00 0.00 C +HETATM 424 O1 UFX A 36 15.255 7.185 0.502 1.00 0.00 O +HETATM 425 H1 UFX A 36 19.127 8.433 1.549 1.00 0.00 H +HETATM 426 H2 UFX A 36 18.288 7.404 0.326 1.00 0.00 H +HETATM 427 H3 UFX A 36 18.220 9.146 0.138 1.00 0.00 H +HETATM 428 H4 UFX A 36 16.909 7.494 2.373 1.00 0.00 H +HETATM 429 H5 UFX A 36 17.118 9.197 2.432 1.00 0.00 H +HETATM 430 H6 UFX A 36 16.038 9.157 0.036 1.00 0.00 H +HETATM 431 H7 UFX A 36 15.036 9.033 1.534 1.00 0.00 H +HETATM 432 H8 UFX A 36 14.415 7.198 -0.004 1.00 0.00 H +HETATM 433 C1 UFX A 37 14.679 5.825 25.860 1.00 0.00 C +HETATM 434 C2 UFX A 37 14.933 4.291 25.968 1.00 0.00 C +HETATM 435 C3 UFX A 37 14.349 3.457 24.817 1.00 0.00 C +HETATM 436 O1 UFX A 37 14.331 2.105 25.078 1.00 0.00 O +HETATM 437 H1 UFX A 37 15.304 6.242 25.071 1.00 0.00 H +HETATM 438 H2 UFX A 37 13.654 6.088 25.596 1.00 0.00 H +HETATM 439 H3 UFX A 37 15.021 6.281 26.789 1.00 0.00 H +HETATM 440 H4 UFX A 37 16.021 4.232 25.940 1.00 0.00 H +HETATM 441 H5 UFX A 37 14.572 3.943 26.936 1.00 0.00 H +HETATM 442 H6 UFX A 37 14.893 3.581 23.880 1.00 0.00 H +HETATM 443 H7 UFX A 37 13.302 3.738 24.700 1.00 0.00 H +HETATM 444 H8 UFX A 37 15.219 1.725 25.250 1.00 0.00 H +HETATM 445 C1 UFX A 38 -3.379 7.346 11.702 1.00 0.00 C +HETATM 446 C2 UFX A 38 -4.369 6.525 10.895 1.00 0.00 C +HETATM 447 C3 UFX A 38 -3.569 5.625 9.934 1.00 0.00 C +HETATM 448 O1 UFX A 38 -2.759 6.470 9.059 1.00 0.00 O +HETATM 449 H1 UFX A 38 -3.919 8.010 12.377 1.00 0.00 H +HETATM 450 H2 UFX A 38 -2.800 6.656 12.316 1.00 0.00 H +HETATM 451 H3 UFX A 38 -2.718 7.958 11.087 1.00 0.00 H +HETATM 452 H4 UFX A 38 -4.983 5.930 11.571 1.00 0.00 H +HETATM 453 H5 UFX A 38 -5.039 7.229 10.401 1.00 0.00 H +HETATM 454 H6 UFX A 38 -4.330 5.074 9.381 1.00 0.00 H +HETATM 455 H7 UFX A 38 -2.926 4.916 10.454 1.00 0.00 H +HETATM 456 H8 UFX A 38 -3.291 7.128 8.564 1.00 0.00 H +HETATM 457 C1 UFX A 39 -2.267 17.494 -6.777 1.00 0.00 C +HETATM 458 C2 UFX A 39 -0.793 17.772 -7.016 1.00 0.00 C +HETATM 459 C3 UFX A 39 0.065 16.585 -7.365 1.00 0.00 C +HETATM 460 O1 UFX A 39 0.012 15.583 -6.410 1.00 0.00 O +HETATM 461 H1 UFX A 39 -2.680 18.409 -6.352 1.00 0.00 H +HETATM 462 H2 UFX A 39 -2.798 17.151 -7.665 1.00 0.00 H +HETATM 463 H3 UFX A 39 -2.334 16.675 -6.060 1.00 0.00 H +HETATM 464 H4 UFX A 39 -0.823 18.580 -7.747 1.00 0.00 H +HETATM 465 H5 UFX A 39 -0.395 18.261 -6.127 1.00 0.00 H +HETATM 466 H6 UFX A 39 1.058 16.938 -7.647 1.00 0.00 H +HETATM 467 H7 UFX A 39 -0.275 16.117 -8.289 1.00 0.00 H +HETATM 468 H8 UFX A 39 -0.878 15.227 -6.202 1.00 0.00 H +HETATM 469 C1 UFX A 40 22.039 8.904 25.708 1.00 0.00 C +HETATM 470 C2 UFX A 40 22.762 10.263 25.728 1.00 0.00 C +HETATM 471 C3 UFX A 40 23.717 10.418 26.935 1.00 0.00 C +HETATM 472 O1 UFX A 40 24.631 9.347 27.189 1.00 0.00 O +HETATM 473 H1 UFX A 40 21.469 8.753 26.625 1.00 0.00 H +HETATM 474 H2 UFX A 40 21.260 8.890 24.946 1.00 0.00 H +HETATM 475 H3 UFX A 40 22.721 8.066 25.567 1.00 0.00 H +HETATM 476 H4 UFX A 40 23.345 10.337 24.810 1.00 0.00 H +HETATM 477 H5 UFX A 40 22.080 11.111 25.800 1.00 0.00 H +HETATM 478 H6 UFX A 40 23.111 10.522 27.835 1.00 0.00 H +HETATM 479 H7 UFX A 40 24.229 11.380 26.947 1.00 0.00 H +HETATM 480 H8 UFX A 40 25.324 9.276 26.498 1.00 0.00 H +HETATM 481 C1 UFX A 41 13.945 19.759 33.660 1.00 0.00 C +HETATM 482 C2 UFX A 41 14.483 20.962 33.028 1.00 0.00 C +HETATM 483 C3 UFX A 41 15.906 21.379 33.476 1.00 0.00 C +HETATM 484 O1 UFX A 41 15.863 21.939 34.834 1.00 0.00 O +HETATM 485 H1 UFX A 41 13.901 19.889 34.742 1.00 0.00 H +HETATM 486 H2 UFX A 41 12.933 19.565 33.306 1.00 0.00 H +HETATM 487 H3 UFX A 41 14.500 18.853 33.416 1.00 0.00 H +HETATM 488 H4 UFX A 41 14.610 20.712 31.975 1.00 0.00 H +HETATM 489 H5 UFX A 41 13.787 21.796 33.119 1.00 0.00 H +HETATM 490 H6 UFX A 41 16.331 22.168 32.855 1.00 0.00 H +HETATM 491 H7 UFX A 41 16.578 20.522 33.459 1.00 0.00 H +HETATM 492 H8 UFX A 41 15.553 21.242 35.450 1.00 0.00 H +HETATM 493 C1 UFX A 42 7.580 3.789 22.967 1.00 0.00 C +HETATM 494 C2 UFX A 42 7.892 2.278 22.534 1.00 0.00 C +HETATM 495 C3 UFX A 42 6.973 1.827 21.417 1.00 0.00 C +HETATM 496 O1 UFX A 42 5.587 1.763 21.784 1.00 0.00 O +HETATM 497 H1 UFX A 42 8.287 4.068 23.748 1.00 0.00 H +HETATM 498 H2 UFX A 42 7.594 4.482 22.125 1.00 0.00 H +HETATM 499 H3 UFX A 42 6.589 3.671 23.407 1.00 0.00 H +HETATM 500 H4 UFX A 42 8.900 2.231 22.122 1.00 0.00 H +HETATM 501 H5 UFX A 42 7.940 1.570 23.362 1.00 0.00 H +HETATM 502 H6 UFX A 42 7.266 0.856 21.016 1.00 0.00 H +HETATM 503 H7 UFX A 42 7.086 2.483 20.554 1.00 0.00 H +HETATM 504 H8 UFX A 42 5.201 2.652 21.934 1.00 0.00 H +HETATM 505 C1 UFX A 43 20.206 30.887 18.298 1.00 0.00 C +HETATM 506 C2 UFX A 43 18.741 30.727 17.966 1.00 0.00 C +HETATM 507 C3 UFX A 43 18.048 30.454 19.314 1.00 0.00 C +HETATM 508 O1 UFX A 43 16.626 30.502 19.212 1.00 0.00 O +HETATM 509 H1 UFX A 43 20.758 31.055 17.372 1.00 0.00 H +HETATM 510 H2 UFX A 43 20.440 31.837 18.780 1.00 0.00 H +HETATM 511 H3 UFX A 43 20.586 30.058 18.894 1.00 0.00 H +HETATM 512 H4 UFX A 43 18.371 31.667 17.556 1.00 0.00 H +HETATM 513 H5 UFX A 43 18.552 29.895 17.287 1.00 0.00 H +HETATM 514 H6 UFX A 43 18.399 31.176 20.052 1.00 0.00 H +HETATM 515 H7 UFX A 43 18.444 29.484 19.614 1.00 0.00 H +HETATM 516 H8 UFX A 43 16.333 30.163 18.339 1.00 0.00 H +HETATM 517 C1 UFX A 44 2.515 4.246 10.321 1.00 0.00 C +HETATM 518 C2 UFX A 44 2.099 4.776 8.985 1.00 0.00 C +HETATM 519 C3 UFX A 44 0.888 5.686 9.087 1.00 0.00 C +HETATM 520 O1 UFX A 44 -0.387 4.893 9.276 1.00 0.00 O +HETATM 521 H1 UFX A 44 2.890 5.098 10.889 1.00 0.00 H +HETATM 522 H2 UFX A 44 1.654 3.747 10.765 1.00 0.00 H +HETATM 523 H3 UFX A 44 3.302 3.533 10.073 1.00 0.00 H +HETATM 524 H4 UFX A 44 2.946 5.272 8.510 1.00 0.00 H +HETATM 525 H5 UFX A 44 1.877 3.977 8.277 1.00 0.00 H +HETATM 526 H6 UFX A 44 0.887 6.220 8.137 1.00 0.00 H +HETATM 527 H7 UFX A 44 1.004 6.430 9.876 1.00 0.00 H +HETATM 528 H8 UFX A 44 -1.149 5.474 9.065 1.00 0.00 H +HETATM 529 C1 UFX A 45 25.016 18.015 29.658 1.00 0.00 C +HETATM 530 C2 UFX A 45 24.776 17.646 31.096 1.00 0.00 C +HETATM 531 C3 UFX A 45 23.536 18.456 31.591 1.00 0.00 C +HETATM 532 O1 UFX A 45 22.387 17.800 30.921 1.00 0.00 O +HETATM 533 H1 UFX A 45 24.237 17.561 29.045 1.00 0.00 H +HETATM 534 H2 UFX A 45 25.119 19.086 29.485 1.00 0.00 H +HETATM 535 H3 UFX A 45 25.963 17.591 29.323 1.00 0.00 H +HETATM 536 H4 UFX A 45 24.625 16.571 31.203 1.00 0.00 H +HETATM 537 H5 UFX A 45 25.661 17.942 31.660 1.00 0.00 H +HETATM 538 H6 UFX A 45 23.650 19.507 31.328 1.00 0.00 H +HETATM 539 H7 UFX A 45 23.430 18.384 32.674 1.00 0.00 H +HETATM 540 H8 UFX A 45 22.341 16.836 31.102 1.00 0.00 H +HETATM 541 C1 UFX A 46 13.243 33.067 28.655 1.00 0.00 C +HETATM 542 C2 UFX A 46 13.116 31.674 28.245 1.00 0.00 C +HETATM 543 C3 UFX A 46 11.654 31.284 28.308 1.00 0.00 C +HETATM 544 O1 UFX A 46 10.899 32.041 27.415 1.00 0.00 O +HETATM 545 H1 UFX A 46 12.727 33.737 27.967 1.00 0.00 H +HETATM 546 H2 UFX A 46 12.772 33.241 29.623 1.00 0.00 H +HETATM 547 H3 UFX A 46 14.275 33.368 28.840 1.00 0.00 H +HETATM 548 H4 UFX A 46 13.479 31.686 27.217 1.00 0.00 H +HETATM 549 H5 UFX A 46 13.647 30.983 28.900 1.00 0.00 H +HETATM 550 H6 UFX A 46 11.259 31.403 29.317 1.00 0.00 H +HETATM 551 H7 UFX A 46 11.543 30.225 28.073 1.00 0.00 H +HETATM 552 H8 UFX A 46 11.160 31.881 26.483 1.00 0.00 H +HETATM 553 C1 UFX A 47 27.648 5.563 19.905 1.00 0.00 C +HETATM 554 C2 UFX A 47 26.165 5.870 20.525 1.00 0.00 C +HETATM 555 C3 UFX A 47 25.085 6.368 19.535 1.00 0.00 C +HETATM 556 O1 UFX A 47 23.796 6.448 20.152 1.00 0.00 O +HETATM 557 H1 UFX A 47 27.537 4.809 19.125 1.00 0.00 H +HETATM 558 H2 UFX A 47 28.068 6.430 19.397 1.00 0.00 H +HETATM 559 H3 UFX A 47 28.319 5.102 20.630 1.00 0.00 H +HETATM 560 H4 UFX A 47 25.759 5.003 21.047 1.00 0.00 H +HETATM 561 H5 UFX A 47 26.299 6.557 21.360 1.00 0.00 H +HETATM 562 H6 UFX A 47 25.074 5.612 18.750 1.00 0.00 H +HETATM 563 H7 UFX A 47 25.381 7.304 19.061 1.00 0.00 H +HETATM 564 H8 UFX A 47 23.517 5.631 20.618 1.00 0.00 H +HETATM 565 C1 UFX A 48 11.554 13.005 5.381 1.00 0.00 C +HETATM 566 C2 UFX A 48 11.492 12.114 6.623 1.00 0.00 C +HETATM 567 C3 UFX A 48 12.058 12.788 7.842 1.00 0.00 C +HETATM 568 O1 UFX A 48 10.998 13.613 8.356 1.00 0.00 O +HETATM 569 H1 UFX A 48 11.404 14.070 5.555 1.00 0.00 H +HETATM 570 H2 UFX A 48 12.503 12.854 4.866 1.00 0.00 H +HETATM 571 H3 UFX A 48 10.760 12.713 4.694 1.00 0.00 H +HETATM 572 H4 UFX A 48 10.484 11.763 6.847 1.00 0.00 H +HETATM 573 H5 UFX A 48 12.098 11.246 6.363 1.00 0.00 H +HETATM 574 H6 UFX A 48 12.878 13.407 7.477 1.00 0.00 H +HETATM 575 H7 UFX A 48 12.395 11.956 8.461 1.00 0.00 H +HETATM 576 H8 UFX A 48 11.320 14.121 9.131 1.00 0.00 H +HETATM 577 C1 UFX A 49 -0.220 14.642 19.194 1.00 0.00 C +HETATM 578 C2 UFX A 49 0.659 13.779 18.336 1.00 0.00 C +HETATM 579 C3 UFX A 49 0.164 13.317 16.926 1.00 0.00 C +HETATM 580 O1 UFX A 49 -0.230 14.477 16.209 1.00 0.00 O +HETATM 581 H1 UFX A 49 -0.421 15.542 18.614 1.00 0.00 H +HETATM 582 H2 UFX A 49 -1.177 14.140 19.335 1.00 0.00 H +HETATM 583 H3 UFX A 49 0.257 14.812 20.160 1.00 0.00 H +HETATM 584 H4 UFX A 49 1.666 14.196 18.319 1.00 0.00 H +HETATM 585 H5 UFX A 49 0.797 12.890 18.951 1.00 0.00 H +HETATM 586 H6 UFX A 49 -0.680 12.636 17.035 1.00 0.00 H +HETATM 587 H7 UFX A 49 0.978 12.781 16.436 1.00 0.00 H +HETATM 588 H8 UFX A 49 0.344 15.247 16.409 1.00 0.00 H +HETATM 589 C1 UFX A 50 4.081 28.520 15.312 1.00 0.00 C +HETATM 590 C2 UFX A 50 3.051 29.640 15.282 1.00 0.00 C +HETATM 591 C3 UFX A 50 2.134 29.528 16.514 1.00 0.00 C +HETATM 592 O1 UFX A 50 1.282 28.327 16.389 1.00 0.00 O +HETATM 593 H1 UFX A 50 3.557 27.593 15.543 1.00 0.00 H +HETATM 594 H2 UFX A 50 4.618 28.412 14.369 1.00 0.00 H +HETATM 595 H3 UFX A 50 4.879 28.615 16.048 1.00 0.00 H +HETATM 596 H4 UFX A 50 3.441 30.657 15.254 1.00 0.00 H +HETATM 597 H5 UFX A 50 2.455 29.420 14.396 1.00 0.00 H +HETATM 598 H6 UFX A 50 1.511 30.411 16.658 1.00 0.00 H +HETATM 599 H7 UFX A 50 2.694 29.357 17.433 1.00 0.00 H +HETATM 600 H8 UFX A 50 0.524 28.459 15.780 1.00 0.00 H +HETATM 601 C1 UFX A 51 18.982 23.009 15.396 1.00 0.00 C +HETATM 602 C2 UFX A 51 20.320 22.337 15.906 1.00 0.00 C +HETATM 603 C3 UFX A 51 21.437 22.301 14.864 1.00 0.00 C +HETATM 604 O1 UFX A 51 20.887 21.725 13.715 1.00 0.00 O +HETATM 605 H1 UFX A 51 18.274 23.035 16.225 1.00 0.00 H +HETATM 606 H2 UFX A 51 19.114 24.018 15.003 1.00 0.00 H +HETATM 607 H3 UFX A 51 18.583 22.497 14.520 1.00 0.00 H +HETATM 608 H4 UFX A 51 20.675 22.884 16.779 1.00 0.00 H +HETATM 609 H5 UFX A 51 20.064 21.319 16.200 1.00 0.00 H +HETATM 610 H6 UFX A 51 22.307 21.770 15.248 1.00 0.00 H +HETATM 611 H7 UFX A 51 21.719 23.345 14.724 1.00 0.00 H +HETATM 612 H8 UFX A 51 20.943 20.748 13.796 1.00 0.00 H +HETATM 613 C1 UFX A 52 1.392 17.341 12.570 1.00 0.00 C +HETATM 614 C2 UFX A 52 1.164 17.487 11.029 1.00 0.00 C +HETATM 615 C3 UFX A 52 -0.312 17.635 10.675 1.00 0.00 C +HETATM 616 O1 UFX A 52 -0.479 17.601 9.243 1.00 0.00 O +HETATM 617 H1 UFX A 52 1.044 16.434 13.064 1.00 0.00 H +HETATM 618 H2 UFX A 52 2.429 17.562 12.825 1.00 0.00 H +HETATM 619 H3 UFX A 52 0.934 18.235 12.992 1.00 0.00 H +HETATM 620 H4 UFX A 52 1.725 18.366 10.712 1.00 0.00 H +HETATM 621 H5 UFX A 52 1.550 16.600 10.526 1.00 0.00 H +HETATM 622 H6 UFX A 52 -0.751 18.504 11.167 1.00 0.00 H +HETATM 623 H7 UFX A 52 -0.813 16.791 11.149 1.00 0.00 H +HETATM 624 H8 UFX A 52 0.086 18.332 8.913 1.00 0.00 H +HETATM 625 C1 UFX A 53 9.316 8.257 27.732 1.00 0.00 C +HETATM 626 C2 UFX A 53 9.466 9.718 28.140 1.00 0.00 C +HETATM 627 C3 UFX A 53 10.121 9.905 29.528 1.00 0.00 C +HETATM 628 O1 UFX A 53 11.453 9.225 29.533 1.00 0.00 O +HETATM 629 H1 UFX A 53 8.763 7.684 28.475 1.00 0.00 H +HETATM 630 H2 UFX A 53 8.850 8.037 26.771 1.00 0.00 H +HETATM 631 H3 UFX A 53 10.326 7.850 27.681 1.00 0.00 H +HETATM 632 H4 UFX A 53 10.043 10.294 27.416 1.00 0.00 H +HETATM 633 H5 UFX A 53 8.503 10.229 28.133 1.00 0.00 H +HETATM 634 H6 UFX A 53 9.409 9.506 30.250 1.00 0.00 H +HETATM 635 H7 UFX A 53 10.289 10.972 29.671 1.00 0.00 H +HETATM 636 H8 UFX A 53 12.138 9.799 29.126 1.00 0.00 H +HETATM 637 C1 UFX A 54 17.958 -6.015 7.609 1.00 0.00 C +HETATM 638 C2 UFX A 54 18.683 -4.716 7.572 1.00 0.00 C +HETATM 639 C3 UFX A 54 17.986 -3.555 6.827 1.00 0.00 C +HETATM 640 O1 UFX A 54 18.877 -2.455 6.849 1.00 0.00 O +HETATM 641 H1 UFX A 54 16.959 -5.809 7.991 1.00 0.00 H +HETATM 642 H2 UFX A 54 17.888 -6.434 6.605 1.00 0.00 H +HETATM 643 H3 UFX A 54 18.399 -6.726 8.309 1.00 0.00 H +HETATM 644 H4 UFX A 54 18.776 -4.421 8.617 1.00 0.00 H +HETATM 645 H5 UFX A 54 19.655 -4.798 7.084 1.00 0.00 H +HETATM 646 H6 UFX A 54 17.003 -3.347 7.250 1.00 0.00 H +HETATM 647 H7 UFX A 54 17.787 -3.839 5.793 1.00 0.00 H +HETATM 648 H8 UFX A 54 18.471 -1.669 6.425 1.00 0.00 H +HETATM 649 C1 UFX A 55 11.582 6.100 4.345 1.00 0.00 C +HETATM 650 C2 UFX A 55 12.326 7.028 3.465 1.00 0.00 C +HETATM 651 C3 UFX A 55 13.608 7.555 4.243 1.00 0.00 C +HETATM 652 O1 UFX A 55 13.228 8.097 5.512 1.00 0.00 O +HETATM 653 H1 UFX A 55 11.165 6.533 5.254 1.00 0.00 H +HETATM 654 H2 UFX A 55 10.707 5.697 3.836 1.00 0.00 H +HETATM 655 H3 UFX A 55 12.110 5.197 4.652 1.00 0.00 H +HETATM 656 H4 UFX A 55 12.555 6.482 2.550 1.00 0.00 H +HETATM 657 H5 UFX A 55 11.676 7.852 3.174 1.00 0.00 H +HETATM 658 H6 UFX A 55 14.338 8.090 3.635 1.00 0.00 H +HETATM 659 H7 UFX A 55 14.223 6.690 4.493 1.00 0.00 H +HETATM 660 H8 UFX A 55 13.894 8.667 5.953 1.00 0.00 H +HETATM 661 C1 UFX A 56 17.904 3.076 -3.165 1.00 0.00 C +HETATM 662 C2 UFX A 56 17.711 4.343 -2.383 1.00 0.00 C +HETATM 663 C3 UFX A 56 18.858 4.462 -1.337 1.00 0.00 C +HETATM 664 O1 UFX A 56 18.743 3.447 -0.317 1.00 0.00 O +HETATM 665 H1 UFX A 56 18.827 3.130 -3.741 1.00 0.00 H +HETATM 666 H2 UFX A 56 17.889 2.173 -2.555 1.00 0.00 H +HETATM 667 H3 UFX A 56 17.042 3.065 -3.832 1.00 0.00 H +HETATM 668 H4 UFX A 56 17.727 5.220 -3.030 1.00 0.00 H +HETATM 669 H5 UFX A 56 16.753 4.433 -1.870 1.00 0.00 H +HETATM 670 H6 UFX A 56 18.794 5.450 -0.881 1.00 0.00 H +HETATM 671 H7 UFX A 56 19.811 4.460 -1.866 1.00 0.00 H +HETATM 672 H8 UFX A 56 18.022 3.644 0.319 1.00 0.00 H +HETATM 673 C1 UFX A 57 6.439 15.682 7.340 1.00 0.00 C +HETATM 674 C2 UFX A 57 7.380 16.209 8.493 1.00 0.00 C +HETATM 675 C3 UFX A 57 8.662 16.915 8.071 1.00 0.00 C +HETATM 676 O1 UFX A 57 9.403 16.116 7.185 1.00 0.00 O +HETATM 677 H1 UFX A 57 6.300 16.460 6.589 1.00 0.00 H +HETATM 678 H2 UFX A 57 6.985 14.886 6.834 1.00 0.00 H +HETATM 679 H3 UFX A 57 5.460 15.292 7.621 1.00 0.00 H +HETATM 680 H4 UFX A 57 6.775 16.862 9.122 1.00 0.00 H +HETATM 681 H5 UFX A 57 7.646 15.374 9.140 1.00 0.00 H +HETATM 682 H6 UFX A 57 9.180 17.237 8.974 1.00 0.00 H +HETATM 683 H7 UFX A 57 8.479 17.822 7.493 1.00 0.00 H +HETATM 684 H8 UFX A 57 9.673 15.260 7.581 1.00 0.00 H +HETATM 685 C1 UFX A 58 -0.171 24.380 -4.196 1.00 0.00 C +HETATM 686 C2 UFX A 58 -0.464 22.788 -4.013 1.00 0.00 C +HETATM 687 C3 UFX A 58 -1.971 22.599 -3.716 1.00 0.00 C +HETATM 688 O1 UFX A 58 -2.239 21.179 -3.501 1.00 0.00 O +HETATM 689 H1 UFX A 58 -0.392 24.933 -3.283 1.00 0.00 H +HETATM 690 H2 UFX A 58 0.859 24.501 -4.532 1.00 0.00 H +HETATM 691 H3 UFX A 58 -0.822 24.793 -4.967 1.00 0.00 H +HETATM 692 H4 UFX A 58 -0.216 22.174 -4.880 1.00 0.00 H +HETATM 693 H5 UFX A 58 0.045 22.367 -3.146 1.00 0.00 H +HETATM 694 H6 UFX A 58 -2.468 22.971 -4.612 1.00 0.00 H +HETATM 695 H7 UFX A 58 -2.284 23.179 -2.847 1.00 0.00 H +HETATM 696 H8 UFX A 58 -1.561 20.778 -2.916 1.00 0.00 H +HETATM 697 C1 UFX A 59 22.187 20.544 6.276 1.00 0.00 C +HETATM 698 C2 UFX A 59 22.109 19.720 7.604 1.00 0.00 C +HETATM 699 C3 UFX A 59 23.376 19.840 8.378 1.00 0.00 C +HETATM 700 O1 UFX A 59 23.643 21.175 8.715 1.00 0.00 O +HETATM 701 H1 UFX A 59 21.240 20.547 5.735 1.00 0.00 H +HETATM 702 H2 UFX A 59 22.504 21.559 6.517 1.00 0.00 H +HETATM 703 H3 UFX A 59 22.989 20.177 5.636 1.00 0.00 H +HETATM 704 H4 UFX A 59 21.226 19.944 8.203 1.00 0.00 H +HETATM 705 H5 UFX A 59 22.009 18.687 7.272 1.00 0.00 H +HETATM 706 H6 UFX A 59 24.159 19.505 7.697 1.00 0.00 H +HETATM 707 H7 UFX A 59 23.275 19.218 9.268 1.00 0.00 H +HETATM 708 H8 UFX A 59 22.810 21.691 8.674 1.00 0.00 H +HETATM 709 C1 UFX A 60 30.758 7.864 18.228 1.00 0.00 C +HETATM 710 C2 UFX A 60 31.393 6.878 19.215 1.00 0.00 C +HETATM 711 C3 UFX A 60 31.735 5.596 18.494 1.00 0.00 C +HETATM 712 O1 UFX A 60 30.594 4.769 18.310 1.00 0.00 O +HETATM 713 H1 UFX A 60 30.511 8.818 18.695 1.00 0.00 H +HETATM 714 H2 UFX A 60 31.390 8.144 17.385 1.00 0.00 H +HETATM 715 H3 UFX A 60 29.812 7.481 17.845 1.00 0.00 H +HETATM 716 H4 UFX A 60 32.319 7.279 19.625 1.00 0.00 H +HETATM 717 H5 UFX A 60 30.736 6.761 20.077 1.00 0.00 H +HETATM 718 H6 UFX A 60 32.583 5.074 18.937 1.00 0.00 H +HETATM 719 H7 UFX A 60 32.213 5.930 17.574 1.00 0.00 H +HETATM 720 H8 UFX A 60 30.367 4.136 19.024 1.00 0.00 H +HETATM 721 C1 UFX A 61 19.200 4.265 18.195 1.00 0.00 C +HETATM 722 C2 UFX A 61 19.217 2.925 18.877 1.00 0.00 C +HETATM 723 C3 UFX A 61 18.994 2.904 20.439 1.00 0.00 C +HETATM 724 O1 UFX A 61 17.722 3.416 20.806 1.00 0.00 O +HETATM 725 H1 UFX A 61 20.012 4.890 18.567 1.00 0.00 H +HETATM 726 H2 UFX A 61 19.288 4.151 17.115 1.00 0.00 H +HETATM 727 H3 UFX A 61 18.257 4.737 18.471 1.00 0.00 H +HETATM 728 H4 UFX A 61 18.480 2.288 18.386 1.00 0.00 H +HETATM 729 H5 UFX A 61 20.159 2.438 18.624 1.00 0.00 H +HETATM 730 H6 UFX A 61 19.842 3.414 20.895 1.00 0.00 H +HETATM 731 H7 UFX A 61 19.001 1.879 20.809 1.00 0.00 H +HETATM 732 H8 UFX A 61 17.004 2.783 20.590 1.00 0.00 H +HETATM 733 C1 UFX A 62 5.988 24.421 2.921 1.00 0.00 C +HETATM 734 C2 UFX A 62 6.019 23.587 4.188 1.00 0.00 C +HETATM 735 C3 UFX A 62 4.619 23.610 4.808 1.00 0.00 C +HETATM 736 O1 UFX A 62 3.766 22.608 4.241 1.00 0.00 O +HETATM 737 H1 UFX A 62 5.503 25.397 2.918 1.00 0.00 H +HETATM 738 H2 UFX A 62 7.000 24.521 2.530 1.00 0.00 H +HETATM 739 H3 UFX A 62 5.457 23.793 2.205 1.00 0.00 H +HETATM 740 H4 UFX A 62 6.266 22.606 3.782 1.00 0.00 H +HETATM 741 H5 UFX A 62 6.741 23.973 4.908 1.00 0.00 H +HETATM 742 H6 UFX A 62 4.245 24.632 4.748 1.00 0.00 H +HETATM 743 H7 UFX A 62 4.741 23.383 5.868 1.00 0.00 H +HETATM 744 H8 UFX A 62 3.720 22.787 3.278 1.00 0.00 H +HETATM 745 C1 UFX A 63 32.240 1.138 3.577 1.00 0.00 C +HETATM 746 C2 UFX A 63 32.412 -0.334 3.161 1.00 0.00 C +HETATM 747 C3 UFX A 63 31.837 -1.346 4.201 1.00 0.00 C +HETATM 748 O1 UFX A 63 32.658 -1.421 5.402 1.00 0.00 O +HETATM 749 H1 UFX A 63 31.247 1.293 3.999 1.00 0.00 H +HETATM 750 H2 UFX A 63 33.013 1.436 4.285 1.00 0.00 H +HETATM 751 H3 UFX A 63 32.339 1.701 2.649 1.00 0.00 H +HETATM 752 H4 UFX A 63 31.834 -0.485 2.249 1.00 0.00 H +HETATM 753 H5 UFX A 63 33.464 -0.595 3.048 1.00 0.00 H +HETATM 754 H6 UFX A 63 31.776 -2.363 3.814 1.00 0.00 H +HETATM 755 H7 UFX A 63 30.782 -1.224 4.448 1.00 0.00 H +HETATM 756 H8 UFX A 63 32.655 -0.546 5.846 1.00 0.00 H +HETATM 757 C1 UFX A 64 29.865 9.553 3.373 1.00 0.00 C +HETATM 758 C2 UFX A 64 29.531 8.330 2.486 1.00 0.00 C +HETATM 759 C3 UFX A 64 29.024 8.709 1.082 1.00 0.00 C +HETATM 760 O1 UFX A 64 27.803 9.558 1.192 1.00 0.00 O +HETATM 761 H1 UFX A 64 30.728 10.084 2.971 1.00 0.00 H +HETATM 762 H2 UFX A 64 28.991 10.200 3.442 1.00 0.00 H +HETATM 763 H3 UFX A 64 30.149 9.143 4.343 1.00 0.00 H +HETATM 764 H4 UFX A 64 30.386 7.686 2.282 1.00 0.00 H +HETATM 765 H5 UFX A 64 28.797 7.733 3.027 1.00 0.00 H +HETATM 766 H6 UFX A 64 28.717 7.769 0.623 1.00 0.00 H +HETATM 767 H7 UFX A 64 29.837 9.168 0.519 1.00 0.00 H +HETATM 768 H8 UFX A 64 27.131 9.105 1.745 1.00 0.00 H +HETATM 769 C1 UFX A 65 17.731 2.058 3.563 1.00 0.00 C +HETATM 770 C2 UFX A 65 16.384 1.547 4.199 1.00 0.00 C +HETATM 771 C3 UFX A 65 16.586 0.000 4.483 1.00 0.00 C +HETATM 772 O1 UFX A 65 17.597 -0.280 5.501 1.00 0.00 O +HETATM 773 H1 UFX A 65 17.950 1.452 2.683 1.00 0.00 H +HETATM 774 H2 UFX A 65 17.602 3.117 3.338 1.00 0.00 H +HETATM 775 H3 UFX A 65 18.529 1.989 4.302 1.00 0.00 H +HETATM 776 H4 UFX A 65 16.108 2.077 5.110 1.00 0.00 H +HETATM 777 H5 UFX A 65 15.556 1.662 3.499 1.00 0.00 H +HETATM 778 H6 UFX A 65 16.897 -0.469 3.550 1.00 0.00 H +HETATM 779 H7 UFX A 65 15.625 -0.452 4.730 1.00 0.00 H +HETATM 780 H8 UFX A 65 18.479 0.045 5.221 1.00 0.00 H +HETATM 781 C1 UFX A 66 9.355 26.257 1.852 1.00 0.00 C +HETATM 782 C2 UFX A 66 9.846 24.904 1.338 1.00 0.00 C +HETATM 783 C3 UFX A 66 10.862 24.502 2.374 1.00 0.00 C +HETATM 784 O1 UFX A 66 11.947 25.357 2.475 1.00 0.00 O +HETATM 785 H1 UFX A 66 8.772 26.712 1.052 1.00 0.00 H +HETATM 786 H2 UFX A 66 8.687 26.111 2.701 1.00 0.00 H +HETATM 787 H3 UFX A 66 10.175 26.919 2.131 1.00 0.00 H +HETATM 788 H4 UFX A 66 9.098 24.135 1.144 1.00 0.00 H +HETATM 789 H5 UFX A 66 10.316 25.032 0.362 1.00 0.00 H +HETATM 790 H6 UFX A 66 11.296 23.542 2.094 1.00 0.00 H +HETATM 791 H7 UFX A 66 10.428 24.458 3.373 1.00 0.00 H +HETATM 792 H8 UFX A 66 12.808 24.905 2.605 1.00 0.00 H +HETATM 793 C1 UFX A 67 0.715 4.463 22.709 1.00 0.00 C +HETATM 794 C2 UFX A 67 1.991 4.420 21.790 1.00 0.00 C +HETATM 795 C3 UFX A 67 3.215 4.217 22.680 1.00 0.00 C +HETATM 796 O1 UFX A 67 4.352 4.302 21.866 1.00 0.00 O +HETATM 797 H1 UFX A 67 0.477 3.517 23.194 1.00 0.00 H +HETATM 798 H2 UFX A 67 0.921 5.148 23.531 1.00 0.00 H +HETATM 799 H3 UFX A 67 -0.078 4.956 22.146 1.00 0.00 H +HETATM 800 H4 UFX A 67 1.856 3.635 21.046 1.00 0.00 H +HETATM 801 H5 UFX A 67 2.027 5.314 21.167 1.00 0.00 H +HETATM 802 H6 UFX A 67 3.134 3.253 23.183 1.00 0.00 H +HETATM 803 H7 UFX A 67 3.189 5.033 23.402 1.00 0.00 H +HETATM 804 H8 UFX A 67 4.363 5.135 21.348 1.00 0.00 H +HETATM 805 C1 UFX A 68 7.293 28.633 3.489 1.00 0.00 C +HETATM 806 C2 UFX A 68 6.837 28.841 4.923 1.00 0.00 C +HETATM 807 C3 UFX A 68 5.358 28.853 5.117 1.00 0.00 C +HETATM 808 O1 UFX A 68 4.859 27.548 5.096 1.00 0.00 O +HETATM 809 H1 UFX A 68 6.891 27.672 3.170 1.00 0.00 H +HETATM 810 H2 UFX A 68 6.919 29.402 2.813 1.00 0.00 H +HETATM 811 H3 UFX A 68 8.373 28.488 3.443 1.00 0.00 H +HETATM 812 H4 UFX A 68 7.291 28.008 5.462 1.00 0.00 H +HETATM 813 H5 UFX A 68 7.159 29.818 5.285 1.00 0.00 H +HETATM 814 H6 UFX A 68 4.861 29.409 4.322 1.00 0.00 H +HETATM 815 H7 UFX A 68 5.035 29.334 6.041 1.00 0.00 H +HETATM 816 H8 UFX A 68 3.900 27.514 5.298 1.00 0.00 H +HETATM 817 C1 UFX A 69 11.557 10.134 1.323 1.00 0.00 C +HETATM 818 C2 UFX A 69 10.369 10.670 2.206 1.00 0.00 C +HETATM 819 C3 UFX A 69 9.606 11.696 1.332 1.00 0.00 C +HETATM 820 O1 UFX A 69 8.235 11.469 1.728 1.00 0.00 O +HETATM 821 H1 UFX A 69 11.226 9.396 0.593 1.00 0.00 H +HETATM 822 H2 UFX A 69 12.094 10.946 0.833 1.00 0.00 H +HETATM 823 H3 UFX A 69 12.277 9.684 2.007 1.00 0.00 H +HETATM 824 H4 UFX A 69 9.774 9.841 2.590 1.00 0.00 H +HETATM 825 H5 UFX A 69 10.798 11.038 3.139 1.00 0.00 H +HETATM 826 H6 UFX A 69 9.756 11.590 0.258 1.00 0.00 H +HETATM 827 H7 UFX A 69 9.921 12.723 1.520 1.00 0.00 H +HETATM 828 H8 UFX A 69 8.179 11.331 2.698 1.00 0.00 H +HETATM 829 C1 UFX A 70 12.850 17.931 6.227 1.00 0.00 C +HETATM 830 C2 UFX A 70 13.390 16.576 6.195 1.00 0.00 C +HETATM 831 C3 UFX A 70 14.859 16.581 6.255 1.00 0.00 C +HETATM 832 O1 UFX A 70 15.385 17.052 5.085 1.00 0.00 O +HETATM 833 H1 UFX A 70 11.761 17.955 6.284 1.00 0.00 H +HETATM 834 H2 UFX A 70 13.274 18.459 7.081 1.00 0.00 H +HETATM 835 H3 UFX A 70 13.115 18.504 5.338 1.00 0.00 H +HETATM 836 H4 UFX A 70 13.089 16.047 7.100 1.00 0.00 H +HETATM 837 H5 UFX A 70 13.007 16.056 5.317 1.00 0.00 H +HETATM 838 H6 UFX A 70 15.183 15.550 6.398 1.00 0.00 H +HETATM 839 H7 UFX A 70 15.267 17.182 7.067 1.00 0.00 H +HETATM 840 H8 UFX A 70 15.072 16.525 4.320 1.00 0.00 H +HETATM 841 C1 UFX A 71 13.905 17.469 14.382 1.00 0.00 C +HETATM 842 C2 UFX A 71 14.748 16.197 14.151 1.00 0.00 C +HETATM 843 C3 UFX A 71 15.895 16.004 15.138 1.00 0.00 C +HETATM 844 O1 UFX A 71 16.847 17.127 15.040 1.00 0.00 O +HETATM 845 H1 UFX A 71 13.785 17.600 15.457 1.00 0.00 H +HETATM 846 H2 UFX A 71 14.466 18.247 13.864 1.00 0.00 H +HETATM 847 H3 UFX A 71 12.917 17.357 13.937 1.00 0.00 H +HETATM 848 H4 UFX A 71 14.111 15.316 14.235 1.00 0.00 H +HETATM 849 H5 UFX A 71 15.128 16.365 13.143 1.00 0.00 H +HETATM 850 H6 UFX A 71 16.369 15.057 14.880 1.00 0.00 H +HETATM 851 H7 UFX A 71 15.487 15.936 16.146 1.00 0.00 H +HETATM 852 H8 UFX A 71 16.680 17.813 15.721 1.00 0.00 H +HETATM 853 C1 UFX A 72 18.087 26.602 11.641 1.00 0.00 C +HETATM 854 C2 UFX A 72 16.777 27.307 12.046 1.00 0.00 C +HETATM 855 C3 UFX A 72 15.646 26.274 12.464 1.00 0.00 C +HETATM 856 O1 UFX A 72 14.935 25.791 11.323 1.00 0.00 O +HETATM 857 H1 UFX A 72 17.926 25.735 11.000 1.00 0.00 H +HETATM 858 H2 UFX A 72 18.867 27.282 11.296 1.00 0.00 H +HETATM 859 H3 UFX A 72 18.464 26.157 12.562 1.00 0.00 H +HETATM 860 H4 UFX A 72 17.049 27.977 12.861 1.00 0.00 H +HETATM 861 H5 UFX A 72 16.379 27.936 11.250 1.00 0.00 H +HETATM 862 H6 UFX A 72 14.940 26.823 13.086 1.00 0.00 H +HETATM 863 H7 UFX A 72 16.025 25.461 13.084 1.00 0.00 H +HETATM 864 H8 UFX A 72 14.379 26.531 10.998 1.00 0.00 H +HETATM 865 C1 UFX A 73 1.151 0.276 20.611 1.00 0.00 C +HETATM 866 C2 UFX A 73 2.290 0.496 19.612 1.00 0.00 C +HETATM 867 C3 UFX A 73 2.113 1.622 18.658 1.00 0.00 C +HETATM 868 O1 UFX A 73 0.777 1.655 18.166 1.00 0.00 O +HETATM 869 H1 UFX A 73 1.337 -0.567 21.276 1.00 0.00 H +HETATM 870 H2 UFX A 73 0.880 1.161 21.188 1.00 0.00 H +HETATM 871 H3 UFX A 73 0.271 -0.026 20.042 1.00 0.00 H +HETATM 872 H4 UFX A 73 3.198 0.693 20.182 1.00 0.00 H +HETATM 873 H5 UFX A 73 2.471 -0.480 19.161 1.00 0.00 H +HETATM 874 H6 UFX A 73 2.774 1.543 17.795 1.00 0.00 H +HETATM 875 H7 UFX A 73 2.404 2.531 19.185 1.00 0.00 H +HETATM 876 H8 UFX A 73 0.711 1.344 17.238 1.00 0.00 H +HETATM 877 C1 UFX A 74 13.244 -4.589 20.935 1.00 0.00 C +HETATM 878 C2 UFX A 74 14.640 -4.278 20.772 1.00 0.00 C +HETATM 879 C3 UFX A 74 15.223 -3.734 22.021 1.00 0.00 C +HETATM 880 O1 UFX A 74 16.474 -3.272 21.663 1.00 0.00 O +HETATM 881 H1 UFX A 74 12.678 -3.723 21.280 1.00 0.00 H +HETATM 882 H2 UFX A 74 12.857 -4.960 19.985 1.00 0.00 H +HETATM 883 H3 UFX A 74 13.004 -5.342 21.686 1.00 0.00 H +HETATM 884 H4 UFX A 74 15.084 -5.253 20.573 1.00 0.00 H +HETATM 885 H5 UFX A 74 14.803 -3.744 19.836 1.00 0.00 H +HETATM 886 H6 UFX A 74 15.260 -4.520 22.775 1.00 0.00 H +HETATM 887 H7 UFX A 74 14.572 -2.992 22.484 1.00 0.00 H +HETATM 888 H8 UFX A 74 16.375 -2.705 20.869 1.00 0.00 H +HETATM 889 C1 UFX A 75 26.833 13.157 6.462 1.00 0.00 C +HETATM 890 C2 UFX A 75 27.458 11.816 6.721 1.00 0.00 C +HETATM 891 C3 UFX A 75 28.849 11.866 7.343 1.00 0.00 C +HETATM 892 O1 UFX A 75 29.046 10.673 7.971 1.00 0.00 O +HETATM 893 H1 UFX A 75 27.456 13.703 5.753 1.00 0.00 H +HETATM 894 H2 UFX A 75 25.915 12.984 5.900 1.00 0.00 H +HETATM 895 H3 UFX A 75 26.667 13.719 7.381 1.00 0.00 H +HETATM 896 H4 UFX A 75 26.808 11.256 7.394 1.00 0.00 H +HETATM 897 H5 UFX A 75 27.496 11.249 5.791 1.00 0.00 H +HETATM 898 H6 UFX A 75 28.898 12.717 8.022 1.00 0.00 H +HETATM 899 H7 UFX A 75 29.566 12.087 6.553 1.00 0.00 H +HETATM 900 H8 UFX A 75 29.922 10.704 8.411 1.00 0.00 H +HETATM 901 C1 UFX A 76 -0.691 28.607 0.801 1.00 0.00 C +HETATM 902 C2 UFX A 76 -1.134 27.722 -0.398 1.00 0.00 C +HETATM 903 C3 UFX A 76 -0.173 26.585 -0.538 1.00 0.00 C +HETATM 904 O1 UFX A 76 1.223 26.890 -0.817 1.00 0.00 O +HETATM 905 H1 UFX A 76 -1.326 29.489 0.889 1.00 0.00 H +HETATM 906 H2 UFX A 76 -0.728 28.067 1.747 1.00 0.00 H +HETATM 907 H3 UFX A 76 0.319 29.007 0.710 1.00 0.00 H +HETATM 908 H4 UFX A 76 -2.174 27.396 -0.365 1.00 0.00 H +HETATM 909 H5 UFX A 76 -1.075 28.202 -1.375 1.00 0.00 H +HETATM 910 H6 UFX A 76 -0.594 25.862 -1.237 1.00 0.00 H +HETATM 911 H7 UFX A 76 -0.132 26.012 0.389 1.00 0.00 H +HETATM 912 H8 UFX A 76 1.331 27.365 -1.669 1.00 0.00 H +HETATM 913 C1 UFX A 77 18.638 16.934 -0.769 1.00 0.00 C +HETATM 914 C2 UFX A 77 18.338 16.220 0.529 1.00 0.00 C +HETATM 915 C3 UFX A 77 17.863 17.218 1.520 1.00 0.00 C +HETATM 916 O1 UFX A 77 19.029 17.957 1.937 1.00 0.00 O +HETATM 917 H1 UFX A 77 19.544 17.535 -0.689 1.00 0.00 H +HETATM 918 H2 UFX A 77 18.935 16.255 -1.568 1.00 0.00 H +HETATM 919 H3 UFX A 77 17.804 17.533 -1.137 1.00 0.00 H +HETATM 920 H4 UFX A 77 17.496 15.563 0.313 1.00 0.00 H +HETATM 921 H5 UFX A 77 19.264 15.716 0.808 1.00 0.00 H +HETATM 922 H6 UFX A 77 17.571 16.662 2.411 1.00 0.00 H +HETATM 923 H7 UFX A 77 17.054 17.822 1.109 1.00 0.00 H +HETATM 924 H8 UFX A 77 19.230 18.644 1.266 1.00 0.00 H +HETATM 925 C1 UFX A 78 27.875 28.959 4.615 1.00 0.00 C +HETATM 926 C2 UFX A 78 27.486 28.370 3.244 1.00 0.00 C +HETATM 927 C3 UFX A 78 26.919 27.018 3.386 1.00 0.00 C +HETATM 928 O1 UFX A 78 27.806 26.213 4.186 1.00 0.00 O +HETATM 929 H1 UFX A 78 28.598 28.294 5.087 1.00 0.00 H +HETATM 930 H2 UFX A 78 28.334 29.938 4.478 1.00 0.00 H +HETATM 931 H3 UFX A 78 27.019 28.898 5.286 1.00 0.00 H +HETATM 932 H4 UFX A 78 26.722 29.015 2.809 1.00 0.00 H +HETATM 933 H5 UFX A 78 28.320 28.420 2.543 1.00 0.00 H +HETATM 934 H6 UFX A 78 26.902 26.486 2.435 1.00 0.00 H +HETATM 935 H7 UFX A 78 25.921 26.937 3.817 1.00 0.00 H +HETATM 936 H8 UFX A 78 27.391 25.379 4.495 1.00 0.00 H +HETATM 937 C1 UFX A 79 28.262 5.846 16.267 1.00 0.00 C +HETATM 938 C2 UFX A 79 28.335 4.898 15.021 1.00 0.00 C +HETATM 939 C3 UFX A 79 28.980 3.470 15.415 1.00 0.00 C +HETATM 940 O1 UFX A 79 30.339 3.628 15.903 1.00 0.00 O +HETATM 941 H1 UFX A 79 27.340 5.611 16.800 1.00 0.00 H +HETATM 942 H2 UFX A 79 29.128 5.718 16.917 1.00 0.00 H +HETATM 943 H3 UFX A 79 28.248 6.905 16.007 1.00 0.00 H +HETATM 944 H4 UFX A 79 27.378 4.809 14.507 1.00 0.00 H +HETATM 945 H5 UFX A 79 28.873 5.390 14.211 1.00 0.00 H +HETATM 946 H6 UFX A 79 28.902 2.813 14.548 1.00 0.00 H +HETATM 947 H7 UFX A 79 28.461 2.968 16.231 1.00 0.00 H +HETATM 948 H8 UFX A 79 30.375 4.240 16.668 1.00 0.00 H +HETATM 949 C1 UFX A 80 23.020 17.456 12.481 1.00 0.00 C +HETATM 950 C2 UFX A 80 22.269 17.054 13.830 1.00 0.00 C +HETATM 951 C3 UFX A 80 21.687 18.211 14.642 1.00 0.00 C +HETATM 952 O1 UFX A 80 20.872 19.053 13.793 1.00 0.00 O +HETATM 953 H1 UFX A 80 23.668 16.670 12.092 1.00 0.00 H +HETATM 954 H2 UFX A 80 22.282 17.783 11.748 1.00 0.00 H +HETATM 955 H3 UFX A 80 23.654 18.307 12.729 1.00 0.00 H +HETATM 956 H4 UFX A 80 21.519 16.288 13.631 1.00 0.00 H +HETATM 957 H5 UFX A 80 22.947 16.471 14.454 1.00 0.00 H +HETATM 958 H6 UFX A 80 22.569 18.761 14.970 1.00 0.00 H +HETATM 959 H7 UFX A 80 21.093 17.930 15.512 1.00 0.00 H +HETATM 960 H8 UFX A 80 20.164 18.507 13.389 1.00 0.00 H +HETATM 961 C1 UFX A 81 23.995 25.752 -8.512 1.00 0.00 C +HETATM 962 C2 UFX A 81 24.732 26.103 -7.205 1.00 0.00 C +HETATM 963 C3 UFX A 81 23.947 25.638 -5.988 1.00 0.00 C +HETATM 964 O1 UFX A 81 24.732 25.861 -4.857 1.00 0.00 O +HETATM 965 H1 UFX A 81 23.607 24.737 -8.590 1.00 0.00 H +HETATM 966 H2 UFX A 81 23.142 26.426 -8.600 1.00 0.00 H +HETATM 967 H3 UFX A 81 24.551 25.933 -9.432 1.00 0.00 H +HETATM 968 H4 UFX A 81 25.766 25.758 -7.211 1.00 0.00 H +HETATM 969 H5 UFX A 81 24.849 27.186 -7.244 1.00 0.00 H +HETATM 970 H6 UFX A 81 23.801 24.558 -6.003 1.00 0.00 H +HETATM 971 H7 UFX A 81 22.965 26.093 -5.857 1.00 0.00 H +HETATM 972 H8 UFX A 81 24.921 26.809 -4.691 1.00 0.00 H +HETATM 973 C1 UFX A 82 2.986 13.461 13.614 1.00 0.00 C +HETATM 974 C2 UFX A 82 2.815 13.194 12.104 1.00 0.00 C +HETATM 975 C3 UFX A 82 2.341 11.833 11.718 1.00 0.00 C +HETATM 976 O1 UFX A 82 0.923 11.637 12.180 1.00 0.00 O +HETATM 977 H1 UFX A 82 3.444 14.432 13.802 1.00 0.00 H +HETATM 978 H2 UFX A 82 2.063 13.387 14.189 1.00 0.00 H +HETATM 979 H3 UFX A 82 3.629 12.649 13.954 1.00 0.00 H +HETATM 980 H4 UFX A 82 2.097 13.915 11.713 1.00 0.00 H +HETATM 981 H5 UFX A 82 3.719 13.491 11.571 1.00 0.00 H +HETATM 982 H6 UFX A 82 3.014 11.120 12.195 1.00 0.00 H +HETATM 983 H7 UFX A 82 2.371 11.888 10.629 1.00 0.00 H +HETATM 984 H8 UFX A 82 0.372 12.176 11.573 1.00 0.00 H +HETATM 985 C1 UFX A 83 12.899 2.854 1.561 1.00 0.00 C +HETATM 986 C2 UFX A 83 13.955 4.005 1.661 1.00 0.00 C +HETATM 987 C3 UFX A 83 15.253 3.595 1.096 1.00 0.00 C +HETATM 988 O1 UFX A 83 16.169 4.653 1.191 1.00 0.00 O +HETATM 989 H1 UFX A 83 13.309 1.924 1.953 1.00 0.00 H +HETATM 990 H2 UFX A 83 12.012 3.054 2.163 1.00 0.00 H +HETATM 991 H3 UFX A 83 12.652 2.733 0.506 1.00 0.00 H +HETATM 992 H4 UFX A 83 13.641 4.915 1.150 1.00 0.00 H +HETATM 993 H5 UFX A 83 14.093 4.171 2.729 1.00 0.00 H +HETATM 994 H6 UFX A 83 15.218 3.259 0.059 1.00 0.00 H +HETATM 995 H7 UFX A 83 15.582 2.705 1.633 1.00 0.00 H +HETATM 996 H8 UFX A 83 15.962 5.393 0.581 1.00 0.00 H +HETATM 997 C1 UFX A 84 16.698 21.580 21.234 1.00 0.00 C +HETATM 998 C2 UFX A 84 16.196 20.633 22.283 1.00 0.00 C +HETATM 999 C3 UFX A 84 16.664 21.017 23.687 1.00 0.00 C +HETATM 1000 O1 UFX A 84 18.116 20.829 23.688 1.00 0.00 O +HETATM 1001 H1 UFX A 84 16.333 22.578 21.477 1.00 0.00 H +HETATM 1002 H2 UFX A 84 17.768 21.438 21.076 1.00 0.00 H +HETATM 1003 H3 UFX A 84 16.238 21.326 20.279 1.00 0.00 H +HETATM 1004 H4 UFX A 84 15.109 20.561 22.226 1.00 0.00 H +HETATM 1005 H5 UFX A 84 16.625 19.637 22.180 1.00 0.00 H +HETATM 1006 H6 UFX A 84 16.128 20.499 24.483 1.00 0.00 H +HETATM 1007 H7 UFX A 84 16.515 22.095 23.745 1.00 0.00 H +HETATM 1008 H8 UFX A 84 18.439 19.909 23.576 1.00 0.00 H +HETATM 1009 C1 UFX A 85 28.156 -1.042 30.757 1.00 0.00 C +HETATM 1010 C2 UFX A 85 29.037 -0.619 29.651 1.00 0.00 C +HETATM 1011 C3 UFX A 85 28.981 0.929 29.437 1.00 0.00 C +HETATM 1012 O1 UFX A 85 28.088 1.104 28.372 1.00 0.00 O +HETATM 1013 H1 UFX A 85 28.478 -0.571 31.686 1.00 0.00 H +HETATM 1014 H2 UFX A 85 27.167 -0.600 30.631 1.00 0.00 H +HETATM 1015 H3 UFX A 85 28.026 -2.120 30.856 1.00 0.00 H +HETATM 1016 H4 UFX A 85 30.075 -0.854 29.888 1.00 0.00 H +HETATM 1017 H5 UFX A 85 28.754 -1.140 28.737 1.00 0.00 H +HETATM 1018 H6 UFX A 85 29.982 1.218 29.117 1.00 0.00 H +HETATM 1019 H7 UFX A 85 28.621 1.500 30.293 1.00 0.00 H +HETATM 1020 H8 UFX A 85 28.425 0.637 27.578 1.00 0.00 H +HETATM 1021 C1 UFX A 86 23.833 33.672 15.224 1.00 0.00 C +HETATM 1022 C2 UFX A 86 23.959 33.781 16.795 1.00 0.00 C +HETATM 1023 C3 UFX A 86 23.169 32.666 17.407 1.00 0.00 C +HETATM 1024 O1 UFX A 86 23.595 31.366 16.884 1.00 0.00 O +HETATM 1025 H1 UFX A 86 23.974 34.648 14.759 1.00 0.00 H +HETATM 1026 H2 UFX A 86 24.630 33.034 14.841 1.00 0.00 H +HETATM 1027 H3 UFX A 86 22.891 33.259 14.862 1.00 0.00 H +HETATM 1028 H4 UFX A 86 25.018 33.645 17.016 1.00 0.00 H +HETATM 1029 H5 UFX A 86 23.650 34.746 17.199 1.00 0.00 H +HETATM 1030 H6 UFX A 86 22.099 32.830 17.274 1.00 0.00 H +HETATM 1031 H7 UFX A 86 23.224 32.655 18.495 1.00 0.00 H +HETATM 1032 H8 UFX A 86 23.498 31.313 15.909 1.00 0.00 H +HETATM 1033 C1 UFX A 87 2.997 13.632 7.055 1.00 0.00 C +HETATM 1034 C2 UFX A 87 1.558 13.537 7.462 1.00 0.00 C +HETATM 1035 C3 UFX A 87 1.072 14.898 8.162 1.00 0.00 C +HETATM 1036 O1 UFX A 87 -0.241 14.951 8.699 1.00 0.00 O +HETATM 1037 H1 UFX A 87 3.197 12.808 6.370 1.00 0.00 H +HETATM 1038 H2 UFX A 87 3.211 14.569 6.541 1.00 0.00 H +HETATM 1039 H3 UFX A 87 3.696 13.557 7.889 1.00 0.00 H +HETATM 1040 H4 UFX A 87 0.969 13.316 6.572 1.00 0.00 H +HETATM 1041 H5 UFX A 87 1.416 12.751 8.204 1.00 0.00 H +HETATM 1042 H6 UFX A 87 1.176 15.684 7.414 1.00 0.00 H +HETATM 1043 H7 UFX A 87 1.721 15.118 9.010 1.00 0.00 H +HETATM 1044 H8 UFX A 87 -0.487 15.879 8.904 1.00 0.00 H +HETATM 1045 C1 UFX A 88 22.012 16.131 28.230 1.00 0.00 C +HETATM 1046 C2 UFX A 88 22.573 14.815 27.706 1.00 0.00 C +HETATM 1047 C3 UFX A 88 22.725 14.775 26.166 1.00 0.00 C +HETATM 1048 O1 UFX A 88 21.480 14.528 25.594 1.00 0.00 O +HETATM 1049 H1 UFX A 88 22.549 17.017 27.891 1.00 0.00 H +HETATM 1050 H2 UFX A 88 20.996 16.369 27.914 1.00 0.00 H +HETATM 1051 H3 UFX A 88 22.069 16.088 29.318 1.00 0.00 H +HETATM 1052 H4 UFX A 88 23.536 14.588 28.163 1.00 0.00 H +HETATM 1053 H5 UFX A 88 21.900 14.013 28.008 1.00 0.00 H +HETATM 1054 H6 UFX A 88 23.370 13.950 25.863 1.00 0.00 H +HETATM 1055 H7 UFX A 88 23.195 15.706 25.849 1.00 0.00 H +HETATM 1056 H8 UFX A 88 21.520 14.321 24.636 1.00 0.00 H +HETATM 1057 C1 UFX A 89 3.891 21.427 12.224 1.00 0.00 C +HETATM 1058 C2 UFX A 89 3.377 21.945 10.838 1.00 0.00 C +HETATM 1059 C3 UFX A 89 3.642 20.999 9.615 1.00 0.00 C +HETATM 1060 O1 UFX A 89 2.898 21.471 8.513 1.00 0.00 O +HETATM 1061 H1 UFX A 89 3.247 20.623 12.582 1.00 0.00 H +HETATM 1062 H2 UFX A 89 4.936 21.117 12.227 1.00 0.00 H +HETATM 1063 H3 UFX A 89 3.773 22.223 12.960 1.00 0.00 H +HETATM 1064 H4 UFX A 89 2.306 22.122 10.938 1.00 0.00 H +HETATM 1065 H5 UFX A 89 3.854 22.894 10.592 1.00 0.00 H +HETATM 1066 H6 UFX A 89 3.384 19.996 9.957 1.00 0.00 H +HETATM 1067 H7 UFX A 89 4.706 20.861 9.422 1.00 0.00 H +HETATM 1068 H8 UFX A 89 3.305 21.160 7.676 1.00 0.00 H +HETATM 1069 C1 UFX A 90 14.566 3.720 39.230 1.00 0.00 C +HETATM 1070 C2 UFX A 90 13.576 4.755 38.714 1.00 0.00 C +HETATM 1071 C3 UFX A 90 13.482 5.895 39.715 1.00 0.00 C +HETATM 1072 O1 UFX A 90 12.762 5.400 40.905 1.00 0.00 O +HETATM 1073 H1 UFX A 90 14.569 2.840 38.587 1.00 0.00 H +HETATM 1074 H2 UFX A 90 15.631 3.950 39.253 1.00 0.00 H +HETATM 1075 H3 UFX A 90 14.259 3.365 40.214 1.00 0.00 H +HETATM 1076 H4 UFX A 90 13.864 5.177 37.751 1.00 0.00 H +HETATM 1077 H5 UFX A 90 12.586 4.340 38.525 1.00 0.00 H +HETATM 1078 H6 UFX A 90 12.885 6.712 39.309 1.00 0.00 H +HETATM 1079 H7 UFX A 90 14.486 6.236 39.969 1.00 0.00 H +HETATM 1080 H8 UFX A 90 11.826 5.221 40.672 1.00 0.00 H +HETATM 1081 C1 UFX A 91 10.841 4.378 -2.130 1.00 0.00 C +HETATM 1082 C2 UFX A 91 11.320 5.611 -1.432 1.00 0.00 C +HETATM 1083 C3 UFX A 91 12.654 5.922 -2.038 1.00 0.00 C +HETATM 1084 O1 UFX A 91 13.186 7.096 -1.375 1.00 0.00 O +HETATM 1085 H1 UFX A 91 10.964 4.479 -3.208 1.00 0.00 H +HETATM 1086 H2 UFX A 91 11.420 3.527 -1.771 1.00 0.00 H +HETATM 1087 H3 UFX A 91 9.791 4.194 -1.898 1.00 0.00 H +HETATM 1088 H4 UFX A 91 10.648 6.470 -1.460 1.00 0.00 H +HETATM 1089 H5 UFX A 91 11.585 5.348 -0.408 1.00 0.00 H +HETATM 1090 H6 UFX A 91 12.590 6.076 -3.115 1.00 0.00 H +HETATM 1091 H7 UFX A 91 13.272 5.031 -1.931 1.00 0.00 H +HETATM 1092 H8 UFX A 91 12.638 7.876 -1.606 1.00 0.00 H +HETATM 1093 C1 UFX A 92 28.732 -0.621 14.102 1.00 0.00 C +HETATM 1094 C2 UFX A 92 29.523 -0.608 15.385 1.00 0.00 C +HETATM 1095 C3 UFX A 92 29.685 -2.077 15.971 1.00 0.00 C +HETATM 1096 O1 UFX A 92 30.324 -2.906 15.061 1.00 0.00 O +HETATM 1097 H1 UFX A 92 28.626 0.429 13.830 1.00 0.00 H +HETATM 1098 H2 UFX A 92 29.212 -1.272 13.371 1.00 0.00 H +HETATM 1099 H3 UFX A 92 27.729 -1.047 14.148 1.00 0.00 H +HETATM 1100 H4 UFX A 92 30.505 -0.141 15.308 1.00 0.00 H +HETATM 1101 H5 UFX A 92 29.024 0.036 16.109 1.00 0.00 H +HETATM 1102 H6 UFX A 92 28.706 -2.497 16.203 1.00 0.00 H +HETATM 1103 H7 UFX A 92 30.242 -2.094 16.907 1.00 0.00 H +HETATM 1104 H8 UFX A 92 29.775 -3.071 14.265 1.00 0.00 H +HETATM 1105 C1 UFX A 93 19.590 -2.585 0.851 1.00 0.00 C +HETATM 1106 C2 UFX A 93 19.247 -1.706 2.035 1.00 0.00 C +HETATM 1107 C3 UFX A 93 20.307 -0.618 2.403 1.00 0.00 C +HETATM 1108 O1 UFX A 93 21.503 -1.195 2.833 1.00 0.00 O +HETATM 1109 H1 UFX A 93 19.716 -1.990 -0.054 1.00 0.00 H +HETATM 1110 H2 UFX A 93 20.530 -3.133 0.911 1.00 0.00 H +HETATM 1111 H3 UFX A 93 18.819 -3.285 0.527 1.00 0.00 H +HETATM 1112 H4 UFX A 93 18.378 -1.146 1.689 1.00 0.00 H +HETATM 1113 H5 UFX A 93 18.976 -2.286 2.917 1.00 0.00 H +HETATM 1114 H6 UFX A 93 19.878 -0.116 3.271 1.00 0.00 H +HETATM 1115 H7 UFX A 93 20.397 0.100 1.587 1.00 0.00 H +HETATM 1116 H8 UFX A 93 21.315 -1.883 3.507 1.00 0.00 H +HETATM 1117 C1 UFX A 94 21.511 18.770 24.695 1.00 0.00 C +HETATM 1118 C2 UFX A 94 21.071 17.393 24.214 1.00 0.00 C +HETATM 1119 C3 UFX A 94 20.178 17.570 23.013 1.00 0.00 C +HETATM 1120 O1 UFX A 94 18.993 18.265 23.474 1.00 0.00 O +HETATM 1121 H1 UFX A 94 21.827 18.682 25.735 1.00 0.00 H +HETATM 1122 H2 UFX A 94 22.263 19.168 24.013 1.00 0.00 H +HETATM 1123 H3 UFX A 94 20.667 19.458 24.748 1.00 0.00 H +HETATM 1124 H4 UFX A 94 21.946 16.820 23.908 1.00 0.00 H +HETATM 1125 H5 UFX A 94 20.562 16.923 25.056 1.00 0.00 H +HETATM 1126 H6 UFX A 94 19.932 16.698 22.408 1.00 0.00 H +HETATM 1127 H7 UFX A 94 20.732 18.058 22.211 1.00 0.00 H +HETATM 1128 H8 UFX A 94 18.441 17.708 24.063 1.00 0.00 H +HETATM 1129 C1 UFX A 95 2.864 4.196 -1.163 1.00 0.00 C +HETATM 1130 C2 UFX A 95 1.892 5.410 -0.678 1.00 0.00 C +HETATM 1131 C3 UFX A 95 1.725 6.450 -1.774 1.00 0.00 C +HETATM 1132 O1 UFX A 95 2.904 7.218 -1.899 1.00 0.00 O +HETATM 1133 H1 UFX A 95 3.911 4.496 -1.129 1.00 0.00 H +HETATM 1134 H2 UFX A 95 2.720 3.369 -0.468 1.00 0.00 H +HETATM 1135 H3 UFX A 95 2.623 3.898 -2.184 1.00 0.00 H +HETATM 1136 H4 UFX A 95 0.935 4.933 -0.463 1.00 0.00 H +HETATM 1137 H5 UFX A 95 2.274 5.839 0.248 1.00 0.00 H +HETATM 1138 H6 UFX A 95 0.870 7.100 -1.589 1.00 0.00 H +HETATM 1139 H7 UFX A 95 1.658 5.914 -2.721 1.00 0.00 H +HETATM 1140 H8 UFX A 95 3.434 7.200 -1.073 1.00 0.00 H +HETATM 1141 C1 UFX A 96 26.924 34.186 11.705 1.00 0.00 C +HETATM 1142 C2 UFX A 96 25.639 33.727 10.985 1.00 0.00 C +HETATM 1143 C3 UFX A 96 24.607 33.135 11.948 1.00 0.00 C +HETATM 1144 O1 UFX A 96 24.991 31.850 12.326 1.00 0.00 O +HETATM 1145 H1 UFX A 96 27.333 33.360 12.287 1.00 0.00 H +HETATM 1146 H2 UFX A 96 27.632 34.642 11.013 1.00 0.00 H +HETATM 1147 H3 UFX A 96 26.734 34.882 12.523 1.00 0.00 H +HETATM 1148 H4 UFX A 96 25.254 34.624 10.500 1.00 0.00 H +HETATM 1149 H5 UFX A 96 25.840 33.056 10.149 1.00 0.00 H +HETATM 1150 H6 UFX A 96 23.655 33.120 11.417 1.00 0.00 H +HETATM 1151 H7 UFX A 96 24.513 33.752 12.842 1.00 0.00 H +HETATM 1152 H8 UFX A 96 24.352 31.431 12.941 1.00 0.00 H +HETATM 1153 C1 UFX A 97 11.039 21.874 30.698 1.00 0.00 C +HETATM 1154 C2 UFX A 97 11.220 21.221 29.359 1.00 0.00 C +HETATM 1155 C3 UFX A 97 11.605 19.848 29.582 1.00 0.00 C +HETATM 1156 O1 UFX A 97 10.641 18.994 30.243 1.00 0.00 O +HETATM 1157 H1 UFX A 97 10.769 22.928 30.623 1.00 0.00 H +HETATM 1158 H2 UFX A 97 10.137 21.503 31.184 1.00 0.00 H +HETATM 1159 H3 UFX A 97 11.860 21.698 31.394 1.00 0.00 H +HETATM 1160 H4 UFX A 97 10.357 21.227 28.694 1.00 0.00 H +HETATM 1161 H5 UFX A 97 12.117 21.643 28.905 1.00 0.00 H +HETATM 1162 H6 UFX A 97 12.563 19.910 30.098 1.00 0.00 H +HETATM 1163 H7 UFX A 97 11.720 19.297 28.648 1.00 0.00 H +HETATM 1164 H8 UFX A 97 9.786 18.853 29.782 1.00 0.00 H +HETATM 1165 C1 UFX A 98 17.268 21.587 11.920 1.00 0.00 C +HETATM 1166 C2 UFX A 98 18.465 20.688 11.424 1.00 0.00 C +HETATM 1167 C3 UFX A 98 19.510 21.541 10.547 1.00 0.00 C +HETATM 1168 O1 UFX A 98 20.065 22.749 11.141 1.00 0.00 O +HETATM 1169 H1 UFX A 98 16.850 21.131 12.817 1.00 0.00 H +HETATM 1170 H2 UFX A 98 17.572 22.595 12.206 1.00 0.00 H +HETATM 1171 H3 UFX A 98 16.581 21.807 11.103 1.00 0.00 H +HETATM 1172 H4 UFX A 98 18.982 20.251 12.279 1.00 0.00 H +HETATM 1173 H5 UFX A 98 18.003 19.853 10.898 1.00 0.00 H +HETATM 1174 H6 UFX A 98 18.983 21.825 9.636 1.00 0.00 H +HETATM 1175 H7 UFX A 98 20.379 20.919 10.332 1.00 0.00 H +HETATM 1176 H8 UFX A 98 20.505 22.596 12.004 1.00 0.00 H +HETATM 1177 C1 UFX A 99 17.134 14.157 28.703 1.00 0.00 C +HETATM 1178 C2 UFX A 99 17.067 13.612 27.324 1.00 0.00 C +HETATM 1179 C3 UFX A 99 18.487 13.585 26.763 1.00 0.00 C +HETATM 1180 O1 UFX A 99 19.044 14.888 26.594 1.00 0.00 O +HETATM 1181 H1 UFX A 99 17.488 15.188 28.668 1.00 0.00 H +HETATM 1182 H2 UFX A 99 16.143 14.304 29.135 1.00 0.00 H +HETATM 1183 H3 UFX A 99 17.795 13.618 29.382 1.00 0.00 H +HETATM 1184 H4 UFX A 99 16.600 12.628 27.361 1.00 0.00 H +HETATM 1185 H5 UFX A 99 16.398 14.152 26.653 1.00 0.00 H +HETATM 1186 H6 UFX A 99 18.552 13.157 25.762 1.00 0.00 H +HETATM 1187 H7 UFX A 99 19.140 12.972 27.384 1.00 0.00 H +HETATM 1188 H8 UFX A 99 19.999 14.812 26.382 1.00 0.00 H +HETATM 1189 C1 UFX A 100 11.467 12.766 16.479 1.00 0.00 C +HETATM 1190 C2 UFX A 100 11.053 13.257 15.105 1.00 0.00 C +HETATM 1191 C3 UFX A 100 11.899 12.768 13.952 1.00 0.00 C +HETATM 1192 O1 UFX A 100 11.236 12.587 12.729 1.00 0.00 O +HETATM 1193 H1 UFX A 100 10.832 13.129 17.287 1.00 0.00 H +HETATM 1194 H2 UFX A 100 11.512 11.678 16.527 1.00 0.00 H +HETATM 1195 H3 UFX A 100 12.465 13.108 16.756 1.00 0.00 H +HETATM 1196 H4 UFX A 100 9.996 13.014 14.997 1.00 0.00 H +HETATM 1197 H5 UFX A 100 11.105 14.346 15.111 1.00 0.00 H +HETATM 1198 H6 UFX A 100 12.347 11.871 14.381 1.00 0.00 H +HETATM 1199 H7 UFX A 100 12.695 13.485 13.750 1.00 0.00 H +HETATM 1200 H8 UFX A 100 10.419 12.053 12.823 1.00 0.00 H +HETATM 1201 C1 UFX A 101 21.804 1.527 21.909 1.00 0.00 C +HETATM 1202 C2 UFX A 101 23.293 1.780 21.552 1.00 0.00 C +HETATM 1203 C3 UFX A 101 23.444 3.038 20.757 1.00 0.00 C +HETATM 1204 O1 UFX A 101 23.027 4.151 21.474 1.00 0.00 O +HETATM 1205 H1 UFX A 101 21.381 2.330 22.513 1.00 0.00 H +HETATM 1206 H2 UFX A 101 21.197 1.515 21.004 1.00 0.00 H +HETATM 1207 H3 UFX A 101 21.694 0.586 22.449 1.00 0.00 H +HETATM 1208 H4 UFX A 101 23.939 1.819 22.430 1.00 0.00 H +HETATM 1209 H5 UFX A 101 23.727 1.025 20.896 1.00 0.00 H +HETATM 1210 H6 UFX A 101 22.807 2.985 19.873 1.00 0.00 H +HETATM 1211 H7 UFX A 101 24.495 3.031 20.468 1.00 0.00 H +HETATM 1212 H8 UFX A 101 23.384 4.124 22.387 1.00 0.00 H +HETATM 1213 C1 UFX A 102 22.487 -0.137 9.390 1.00 0.00 C +HETATM 1214 C2 UFX A 102 21.194 -0.939 8.955 1.00 0.00 C +HETATM 1215 C3 UFX A 102 20.376 -1.536 10.091 1.00 0.00 C +HETATM 1216 O1 UFX A 102 20.017 -0.503 10.952 1.00 0.00 O +HETATM 1217 H1 UFX A 102 22.264 0.789 9.920 1.00 0.00 H +HETATM 1218 H2 UFX A 102 23.067 -0.649 10.158 1.00 0.00 H +HETATM 1219 H3 UFX A 102 23.143 0.014 8.532 1.00 0.00 H +HETATM 1220 H4 UFX A 102 20.501 -0.350 8.356 1.00 0.00 H +HETATM 1221 H5 UFX A 102 21.577 -1.759 8.348 1.00 0.00 H +HETATM 1222 H6 UFX A 102 21.027 -2.255 10.589 1.00 0.00 H +HETATM 1223 H7 UFX A 102 19.477 -2.056 9.762 1.00 0.00 H +HETATM 1224 H8 UFX A 102 19.438 0.131 10.477 1.00 0.00 H +HETATM 1225 C1 UFX A 103 26.235 5.637 24.530 1.00 0.00 C +HETATM 1226 C2 UFX A 103 25.874 4.457 25.451 1.00 0.00 C +HETATM 1227 C3 UFX A 103 25.023 3.460 24.634 1.00 0.00 C +HETATM 1228 O1 UFX A 103 23.887 4.034 24.100 1.00 0.00 O +HETATM 1229 H1 UFX A 103 26.947 6.277 25.051 1.00 0.00 H +HETATM 1230 H2 UFX A 103 26.784 5.292 23.654 1.00 0.00 H +HETATM 1231 H3 UFX A 103 25.297 6.124 24.262 1.00 0.00 H +HETATM 1232 H4 UFX A 103 26.732 3.999 25.944 1.00 0.00 H +HETATM 1233 H5 UFX A 103 25.266 5.006 26.170 1.00 0.00 H +HETATM 1234 H6 UFX A 103 24.670 2.646 25.267 1.00 0.00 H +HETATM 1235 H7 UFX A 103 25.602 3.046 23.809 1.00 0.00 H +HETATM 1236 H8 UFX A 103 23.325 4.413 24.810 1.00 0.00 H +HETATM 1237 C1 UFX A 104 18.974 11.350 11.952 1.00 0.00 C +HETATM 1238 C2 UFX A 104 18.741 9.848 11.667 1.00 0.00 C +HETATM 1239 C3 UFX A 104 19.399 9.337 10.371 1.00 0.00 C +HETATM 1240 O1 UFX A 104 18.800 10.006 9.299 1.00 0.00 O +HETATM 1241 H1 UFX A 104 19.928 11.454 12.470 1.00 0.00 H +HETATM 1242 H2 UFX A 104 19.162 11.963 11.070 1.00 0.00 H +HETATM 1243 H3 UFX A 104 18.282 11.856 12.626 1.00 0.00 H +HETATM 1244 H4 UFX A 104 19.078 9.298 12.545 1.00 0.00 H +HETATM 1245 H5 UFX A 104 17.692 9.605 11.496 1.00 0.00 H +HETATM 1246 H6 UFX A 104 19.306 8.275 10.142 1.00 0.00 H +HETATM 1247 H7 UFX A 104 20.443 9.648 10.320 1.00 0.00 H +HETATM 1248 H8 UFX A 104 19.458 10.086 8.576 1.00 0.00 H +HETATM 1249 C1 UFX A 105 7.031 8.064 23.994 1.00 0.00 C +HETATM 1250 C2 UFX A 105 7.099 9.537 23.754 1.00 0.00 C +HETATM 1251 C3 UFX A 105 5.854 10.312 24.364 1.00 0.00 C +HETATM 1252 O1 UFX A 105 6.198 11.716 24.256 1.00 0.00 O +HETATM 1253 H1 UFX A 105 7.171 7.849 25.054 1.00 0.00 H +HETATM 1254 H2 UFX A 105 6.087 7.612 23.690 1.00 0.00 H +HETATM 1255 H3 UFX A 105 7.808 7.538 23.438 1.00 0.00 H +HETATM 1256 H4 UFX A 105 7.957 9.884 24.331 1.00 0.00 H +HETATM 1257 H5 UFX A 105 7.132 9.768 22.689 1.00 0.00 H +HETATM 1258 H6 UFX A 105 5.654 10.196 25.429 1.00 0.00 H +HETATM 1259 H7 UFX A 105 4.900 10.214 23.844 1.00 0.00 H +HETATM 1260 H8 UFX A 105 5.616 12.350 24.728 1.00 0.00 H +HETATM 1261 C1 UFX A 106 2.584 23.718 30.453 1.00 0.00 C +HETATM 1262 C2 UFX A 106 2.354 22.436 31.278 1.00 0.00 C +HETATM 1263 C3 UFX A 106 2.069 22.648 32.736 1.00 0.00 C +HETATM 1264 O1 UFX A 106 3.114 23.373 33.275 1.00 0.00 O +HETATM 1265 H1 UFX A 106 2.935 23.440 29.459 1.00 0.00 H +HETATM 1266 H2 UFX A 106 1.622 24.176 30.221 1.00 0.00 H +HETATM 1267 H3 UFX A 106 3.268 24.443 30.896 1.00 0.00 H +HETATM 1268 H4 UFX A 106 1.546 21.842 30.851 1.00 0.00 H +HETATM 1269 H5 UFX A 106 3.262 21.834 31.329 1.00 0.00 H +HETATM 1270 H6 UFX A 106 1.979 21.700 33.267 1.00 0.00 H +HETATM 1271 H7 UFX A 106 1.057 23.029 32.876 1.00 0.00 H +HETATM 1272 H8 UFX A 106 3.137 24.294 32.935 1.00 0.00 H +HETATM 1273 C1 UFX A 107 1.511 25.310 11.959 1.00 0.00 C +HETATM 1274 C2 UFX A 107 1.166 25.698 13.358 1.00 0.00 C +HETATM 1275 C3 UFX A 107 2.292 25.424 14.383 1.00 0.00 C +HETATM 1276 O1 UFX A 107 1.751 25.883 15.695 1.00 0.00 O +HETATM 1277 H1 UFX A 107 2.410 25.824 11.618 1.00 0.00 H +HETATM 1278 H2 UFX A 107 1.683 24.234 11.932 1.00 0.00 H +HETATM 1279 H3 UFX A 107 0.714 25.518 11.244 1.00 0.00 H +HETATM 1280 H4 UFX A 107 0.779 26.716 13.406 1.00 0.00 H +HETATM 1281 H5 UFX A 107 0.319 25.068 13.632 1.00 0.00 H +HETATM 1282 H6 UFX A 107 3.241 25.929 14.204 1.00 0.00 H +HETATM 1283 H7 UFX A 107 2.712 24.418 14.408 1.00 0.00 H +HETATM 1284 H8 UFX A 107 1.533 26.840 15.693 1.00 0.00 H +HETATM 1285 C1 UFX A 108 26.165 -2.155 8.098 1.00 0.00 C +HETATM 1286 C2 UFX A 108 26.574 -1.887 9.522 1.00 0.00 C +HETATM 1287 C3 UFX A 108 25.710 -2.597 10.633 1.00 0.00 C +HETATM 1288 O1 UFX A 108 26.387 -2.333 11.864 1.00 0.00 O +HETATM 1289 H1 UFX A 108 26.870 -1.619 7.463 1.00 0.00 H +HETATM 1290 H2 UFX A 108 26.258 -3.211 7.842 1.00 0.00 H +HETATM 1291 H3 UFX A 108 25.164 -1.773 7.894 1.00 0.00 H +HETATM 1292 H4 UFX A 108 27.587 -2.262 9.670 1.00 0.00 H +HETATM 1293 H5 UFX A 108 26.570 -0.818 9.736 1.00 0.00 H +HETATM 1294 H6 UFX A 108 25.648 -3.659 10.396 1.00 0.00 H +HETATM 1295 H7 UFX A 108 24.697 -2.195 10.652 1.00 0.00 H +HETATM 1296 H8 UFX A 108 26.116 -1.472 12.248 1.00 0.00 H +HETATM 1297 C1 UFX A 109 15.088 32.787 14.372 1.00 0.00 C +HETATM 1298 C2 UFX A 109 15.594 32.110 15.670 1.00 0.00 C +HETATM 1299 C3 UFX A 109 15.292 30.563 15.677 1.00 0.00 C +HETATM 1300 O1 UFX A 109 15.479 29.965 16.961 1.00 0.00 O +HETATM 1301 H1 UFX A 109 15.334 32.287 13.435 1.00 0.00 H +HETATM 1302 H2 UFX A 109 13.998 32.810 14.347 1.00 0.00 H +HETATM 1303 H3 UFX A 109 15.517 33.784 14.266 1.00 0.00 H +HETATM 1304 H4 UFX A 109 16.660 32.296 15.798 1.00 0.00 H +HETATM 1305 H5 UFX A 109 15.025 32.580 16.473 1.00 0.00 H +HETATM 1306 H6 UFX A 109 16.037 30.214 14.962 1.00 0.00 H +HETATM 1307 H7 UFX A 109 14.271 30.362 15.352 1.00 0.00 H +HETATM 1308 H8 UFX A 109 15.329 28.998 16.887 1.00 0.00 H +HETATM 1309 C1 UFX A 110 20.705 9.005 5.023 1.00 0.00 C +HETATM 1310 C2 UFX A 110 20.961 8.541 6.459 1.00 0.00 C +HETATM 1311 C3 UFX A 110 21.639 9.603 7.362 1.00 0.00 C +HETATM 1312 O1 UFX A 110 20.742 10.644 7.610 1.00 0.00 O +HETATM 1313 H1 UFX A 110 21.585 9.282 4.442 1.00 0.00 H +HETATM 1314 H2 UFX A 110 20.335 8.191 4.400 1.00 0.00 H +HETATM 1315 H3 UFX A 110 20.082 9.896 4.945 1.00 0.00 H +HETATM 1316 H4 UFX A 110 20.073 8.259 7.024 1.00 0.00 H +HETATM 1317 H5 UFX A 110 21.536 7.616 6.436 1.00 0.00 H +HETATM 1318 H6 UFX A 110 22.620 9.854 6.957 1.00 0.00 H +HETATM 1319 H7 UFX A 110 21.839 9.071 8.292 1.00 0.00 H +HETATM 1320 H8 UFX A 110 21.142 11.388 8.108 1.00 0.00 H +HETATM 1321 C1 UFX A 111 24.100 18.104 19.790 1.00 0.00 C +HETATM 1322 C2 UFX A 111 23.420 18.277 18.445 1.00 0.00 C +HETATM 1323 C3 UFX A 111 23.954 17.147 17.504 1.00 0.00 C +HETATM 1324 O1 UFX A 111 23.759 15.818 17.948 1.00 0.00 O +HETATM 1325 H1 UFX A 111 25.168 18.324 19.757 1.00 0.00 H +HETATM 1326 H2 UFX A 111 23.745 18.826 20.526 1.00 0.00 H +HETATM 1327 H3 UFX A 111 23.984 17.058 20.073 1.00 0.00 H +HETATM 1328 H4 UFX A 111 22.345 18.190 18.608 1.00 0.00 H +HETATM 1329 H5 UFX A 111 23.767 19.251 18.100 1.00 0.00 H +HETATM 1330 H6 UFX A 111 25.019 17.306 17.334 1.00 0.00 H +HETATM 1331 H7 UFX A 111 23.509 17.272 16.517 1.00 0.00 H +HETATM 1332 H8 UFX A 111 24.304 15.141 17.494 1.00 0.00 H +HETATM 1333 C1 UFX A 112 22.754 3.702 5.620 1.00 0.00 C +HETATM 1334 C2 UFX A 112 21.845 2.732 6.379 1.00 0.00 C +HETATM 1335 C3 UFX A 112 20.506 2.521 5.800 1.00 0.00 C +HETATM 1336 O1 UFX A 112 19.908 1.459 6.538 1.00 0.00 O +HETATM 1337 H1 UFX A 112 22.808 3.326 4.598 1.00 0.00 H +HETATM 1338 H2 UFX A 112 22.137 4.596 5.524 1.00 0.00 H +HETATM 1339 H3 UFX A 112 23.690 4.023 6.077 1.00 0.00 H +HETATM 1340 H4 UFX A 112 22.326 1.762 6.257 1.00 0.00 H +HETATM 1341 H5 UFX A 112 21.728 3.166 7.372 1.00 0.00 H +HETATM 1342 H6 UFX A 112 20.634 2.131 4.790 1.00 0.00 H +HETATM 1343 H7 UFX A 112 19.883 3.412 5.715 1.00 0.00 H +HETATM 1344 H8 UFX A 112 19.998 1.613 7.503 1.00 0.00 H +HETATM 1345 C1 UFX A 113 17.030 25.900 34.292 1.00 0.00 C +HETATM 1346 C2 UFX A 113 16.453 25.337 35.629 1.00 0.00 C +HETATM 1347 C3 UFX A 113 14.852 25.207 35.480 1.00 0.00 C +HETATM 1348 O1 UFX A 113 14.378 24.270 34.572 1.00 0.00 O +HETATM 1349 H1 UFX A 113 18.061 26.232 34.419 1.00 0.00 H +HETATM 1350 H2 UFX A 113 17.106 25.187 33.471 1.00 0.00 H +HETATM 1351 H3 UFX A 113 16.399 26.704 33.915 1.00 0.00 H +HETATM 1352 H4 UFX A 113 16.871 24.361 35.872 1.00 0.00 H +HETATM 1353 H5 UFX A 113 16.739 26.018 36.432 1.00 0.00 H +HETATM 1354 H6 UFX A 113 14.429 26.130 35.081 1.00 0.00 H +HETATM 1355 H7 UFX A 113 14.527 24.955 36.490 1.00 0.00 H +HETATM 1356 H8 UFX A 113 14.906 23.445 34.625 1.00 0.00 H +HETATM 1357 C1 UFX A 114 19.124 13.494 15.849 1.00 0.00 C +HETATM 1358 C2 UFX A 114 19.457 14.878 16.340 1.00 0.00 C +HETATM 1359 C3 UFX A 114 20.836 14.905 16.870 1.00 0.00 C +HETATM 1360 O1 UFX A 114 21.075 16.091 17.458 1.00 0.00 O +HETATM 1361 H1 UFX A 114 18.825 12.867 16.689 1.00 0.00 H +HETATM 1362 H2 UFX A 114 18.261 13.577 15.188 1.00 0.00 H +HETATM 1363 H3 UFX A 114 19.973 13.088 15.299 1.00 0.00 H +HETATM 1364 H4 UFX A 114 19.331 15.595 15.529 1.00 0.00 H +HETATM 1365 H5 UFX A 114 18.754 15.360 17.020 1.00 0.00 H +HETATM 1366 H6 UFX A 114 21.556 14.866 16.052 1.00 0.00 H +HETATM 1367 H7 UFX A 114 21.085 14.105 17.567 1.00 0.00 H +HETATM 1368 H8 UFX A 114 21.902 16.035 17.983 1.00 0.00 H +HETATM 1369 C1 UFX A 115 21.512 27.301 15.113 1.00 0.00 C +HETATM 1370 C2 UFX A 115 21.602 28.868 15.058 1.00 0.00 C +HETATM 1371 C3 UFX A 115 22.861 29.310 14.536 1.00 0.00 C +HETATM 1372 O1 UFX A 115 23.035 30.675 14.335 1.00 0.00 O +HETATM 1373 H1 UFX A 115 22.461 26.797 15.297 1.00 0.00 H +HETATM 1374 H2 UFX A 115 20.737 27.036 15.832 1.00 0.00 H +HETATM 1375 H3 UFX A 115 21.163 26.917 14.155 1.00 0.00 H +HETATM 1376 H4 UFX A 115 20.828 29.232 14.382 1.00 0.00 H +HETATM 1377 H5 UFX A 115 21.533 29.232 16.083 1.00 0.00 H +HETATM 1378 H6 UFX A 115 22.912 28.853 13.547 1.00 0.00 H +HETATM 1379 H7 UFX A 115 23.673 28.907 15.141 1.00 0.00 H +HETATM 1380 H8 UFX A 115 22.227 31.121 14.002 1.00 0.00 H +HETATM 1381 C1 UFX A 116 1.378 0.431 31.061 1.00 0.00 C +HETATM 1382 C2 UFX A 116 1.538 -0.139 29.647 1.00 0.00 C +HETATM 1383 C3 UFX A 116 2.978 -0.447 29.412 1.00 0.00 C +HETATM 1384 O1 UFX A 116 3.217 -1.155 28.194 1.00 0.00 O +HETATM 1385 H1 UFX A 116 1.549 -0.348 31.805 1.00 0.00 H +HETATM 1386 H2 UFX A 116 1.966 1.317 31.302 1.00 0.00 H +HETATM 1387 H3 UFX A 116 0.305 0.559 31.202 1.00 0.00 H +HETATM 1388 H4 UFX A 116 0.998 -1.082 29.558 1.00 0.00 H +HETATM 1389 H5 UFX A 116 1.244 0.562 28.866 1.00 0.00 H +HETATM 1390 H6 UFX A 116 3.346 -1.119 30.187 1.00 0.00 H +HETATM 1391 H7 UFX A 116 3.505 0.505 29.347 1.00 0.00 H +HETATM 1392 H8 UFX A 116 4.001 -1.745 28.216 1.00 0.00 H +HETATM 1393 C1 UFX A 117 30.574 16.091 -0.199 1.00 0.00 C +HETATM 1394 C2 UFX A 117 31.285 16.255 -1.592 1.00 0.00 C +HETATM 1395 C3 UFX A 117 30.331 15.938 -2.722 1.00 0.00 C +HETATM 1396 O1 UFX A 117 29.795 14.686 -2.712 1.00 0.00 O +HETATM 1397 H1 UFX A 117 30.406 15.044 0.054 1.00 0.00 H +HETATM 1398 H2 UFX A 117 31.175 16.319 0.681 1.00 0.00 H +HETATM 1399 H3 UFX A 117 29.593 16.565 -0.155 1.00 0.00 H +HETATM 1400 H4 UFX A 117 31.649 17.279 -1.671 1.00 0.00 H +HETATM 1401 H5 UFX A 117 32.096 15.527 -1.615 1.00 0.00 H +HETATM 1402 H6 UFX A 117 30.933 15.954 -3.630 1.00 0.00 H +HETATM 1403 H7 UFX A 117 29.643 16.757 -2.936 1.00 0.00 H +HETATM 1404 H8 UFX A 117 29.190 14.464 -1.972 1.00 0.00 H +HETATM 1405 C1 UFX A 118 33.838 3.812 14.099 1.00 0.00 C +HETATM 1406 C2 UFX A 118 34.138 2.357 14.072 1.00 0.00 C +HETATM 1407 C3 UFX A 118 32.763 1.607 14.040 1.00 0.00 C +HETATM 1408 O1 UFX A 118 31.990 1.797 15.176 1.00 0.00 O +HETATM 1409 H1 UFX A 118 33.397 4.083 15.059 1.00 0.00 H +HETATM 1410 H2 UFX A 118 34.806 4.312 14.083 1.00 0.00 H +HETATM 1411 H3 UFX A 118 33.113 4.130 13.349 1.00 0.00 H +HETATM 1412 H4 UFX A 118 34.727 2.138 13.180 1.00 0.00 H +HETATM 1413 H5 UFX A 118 34.751 1.937 14.869 1.00 0.00 H +HETATM 1414 H6 UFX A 118 32.833 0.537 13.842 1.00 0.00 H +HETATM 1415 H7 UFX A 118 32.173 2.031 13.227 1.00 0.00 H +HETATM 1416 H8 UFX A 118 31.507 2.651 15.214 1.00 0.00 H +HETATM 1417 C1 UFX A 119 20.241 25.123 29.466 1.00 0.00 C +HETATM 1418 C2 UFX A 119 20.217 26.601 29.777 1.00 0.00 C +HETATM 1419 C3 UFX A 119 20.685 27.421 28.565 1.00 0.00 C +HETATM 1420 O1 UFX A 119 20.537 28.870 28.840 1.00 0.00 O +HETATM 1421 H1 UFX A 119 19.698 24.965 28.534 1.00 0.00 H +HETATM 1422 H2 UFX A 119 21.258 24.879 29.161 1.00 0.00 H +HETATM 1423 H3 UFX A 119 19.832 24.434 30.206 1.00 0.00 H +HETATM 1424 H4 UFX A 119 19.271 26.973 30.170 1.00 0.00 H +HETATM 1425 H5 UFX A 119 20.915 26.806 30.589 1.00 0.00 H +HETATM 1426 H6 UFX A 119 20.081 27.139 27.703 1.00 0.00 H +HETATM 1427 H7 UFX A 119 21.690 27.060 28.352 1.00 0.00 H +HETATM 1428 H8 UFX A 119 20.990 29.186 29.650 1.00 0.00 H +HETATM 1429 C1 UFX A 120 22.201 5.201 2.106 1.00 0.00 C +HETATM 1430 C2 UFX A 120 23.550 5.792 2.458 1.00 0.00 C +HETATM 1431 C3 UFX A 120 24.617 5.233 1.569 1.00 0.00 C +HETATM 1432 O1 UFX A 120 25.814 5.738 2.039 1.00 0.00 O +HETATM 1433 H1 UFX A 120 21.986 5.339 1.046 1.00 0.00 H +HETATM 1434 H2 UFX A 120 22.297 4.121 2.224 1.00 0.00 H +HETATM 1435 H3 UFX A 120 21.431 5.774 2.623 1.00 0.00 H +HETATM 1436 H4 UFX A 120 23.518 6.868 2.284 1.00 0.00 H +HETATM 1437 H5 UFX A 120 23.701 5.595 3.520 1.00 0.00 H +HETATM 1438 H6 UFX A 120 24.498 5.477 0.513 1.00 0.00 H +HETATM 1439 H7 UFX A 120 24.689 4.147 1.624 1.00 0.00 H +HETATM 1440 H8 UFX A 120 26.583 5.472 1.491 1.00 0.00 H +HETATM 1441 C1 UFX A 121 17.100 11.447 23.625 1.00 0.00 C +HETATM 1442 C2 UFX A 121 16.933 10.235 22.770 1.00 0.00 C +HETATM 1443 C3 UFX A 121 15.628 9.523 23.244 1.00 0.00 C +HETATM 1444 O1 UFX A 121 14.478 10.187 22.804 1.00 0.00 O +HETATM 1445 H1 UFX A 121 18.143 11.741 23.511 1.00 0.00 H +HETATM 1446 H2 UFX A 121 16.371 12.232 23.426 1.00 0.00 H +HETATM 1447 H3 UFX A 121 17.048 11.196 24.685 1.00 0.00 H +HETATM 1448 H4 UFX A 121 16.893 10.477 21.708 1.00 0.00 H +HETATM 1449 H5 UFX A 121 17.764 9.533 22.843 1.00 0.00 H +HETATM 1450 H6 UFX A 121 15.664 9.353 24.320 1.00 0.00 H +HETATM 1451 H7 UFX A 121 15.614 8.584 22.690 1.00 0.00 H +HETATM 1452 H8 UFX A 121 14.375 10.260 21.831 1.00 0.00 H +HETATM 1453 C1 UFX A 122 18.436 7.550 16.894 1.00 0.00 C +HETATM 1454 C2 UFX A 122 18.021 9.037 17.039 1.00 0.00 C +HETATM 1455 C3 UFX A 122 17.804 9.363 18.526 1.00 0.00 C +HETATM 1456 O1 UFX A 122 16.571 8.696 18.885 1.00 0.00 O +HETATM 1457 H1 UFX A 122 18.211 7.210 15.882 1.00 0.00 H +HETATM 1458 H2 UFX A 122 19.484 7.383 17.140 1.00 0.00 H +HETATM 1459 H3 UFX A 122 17.834 6.857 17.481 1.00 0.00 H +HETATM 1460 H4 UFX A 122 18.894 9.554 16.640 1.00 0.00 H +HETATM 1461 H5 UFX A 122 17.203 9.265 16.355 1.00 0.00 H +HETATM 1462 H6 UFX A 122 17.789 10.440 18.696 1.00 0.00 H +HETATM 1463 H7 UFX A 122 18.632 8.880 19.047 1.00 0.00 H +HETATM 1464 H8 UFX A 122 16.740 7.730 18.912 1.00 0.00 H +HETATM 1465 C1 UFX A 123 25.361 0.898 5.545 1.00 0.00 C +HETATM 1466 C2 UFX A 123 26.000 0.215 4.336 1.00 0.00 C +HETATM 1467 C3 UFX A 123 25.224 0.742 3.067 1.00 0.00 C +HETATM 1468 O1 UFX A 123 25.868 0.510 1.846 1.00 0.00 O +HETATM 1469 H1 UFX A 123 25.573 0.365 6.473 1.00 0.00 H +HETATM 1470 H2 UFX A 123 25.651 1.932 5.731 1.00 0.00 H +HETATM 1471 H3 UFX A 123 24.297 0.762 5.347 1.00 0.00 H +HETATM 1472 H4 UFX A 123 27.073 0.374 4.221 1.00 0.00 H +HETATM 1473 H5 UFX A 123 25.851 -0.855 4.485 1.00 0.00 H +HETATM 1474 H6 UFX A 123 25.102 1.816 3.207 1.00 0.00 H +HETATM 1475 H7 UFX A 123 24.253 0.258 2.966 1.00 0.00 H +HETATM 1476 H8 UFX A 123 25.343 0.907 1.118 1.00 0.00 H +HETATM 1477 C1 UFX A 124 16.560 13.337 19.982 1.00 0.00 C +HETATM 1478 C2 UFX A 124 18.101 12.951 20.077 1.00 0.00 C +HETATM 1479 C3 UFX A 124 18.950 14.202 20.643 1.00 0.00 C +HETATM 1480 O1 UFX A 124 18.607 14.289 22.059 1.00 0.00 O +HETATM 1481 H1 UFX A 124 16.007 12.851 19.177 1.00 0.00 H +HETATM 1482 H2 UFX A 124 16.021 13.154 20.912 1.00 0.00 H +HETATM 1483 H3 UFX A 124 16.418 14.360 19.635 1.00 0.00 H +HETATM 1484 H4 UFX A 124 18.292 12.139 20.779 1.00 0.00 H +HETATM 1485 H5 UFX A 124 18.444 12.700 19.073 1.00 0.00 H +HETATM 1486 H6 UFX A 124 18.896 15.051 19.961 1.00 0.00 H +HETATM 1487 H7 UFX A 124 20.009 13.944 20.622 1.00 0.00 H +HETATM 1488 H8 UFX A 124 17.805 14.837 22.200 1.00 0.00 H +HETATM 1489 C1 UFX A 125 23.625 10.434 19.291 1.00 0.00 C +HETATM 1490 C2 UFX A 125 23.041 11.336 18.176 1.00 0.00 C +HETATM 1491 C3 UFX A 125 21.480 11.100 18.184 1.00 0.00 C +HETATM 1492 O1 UFX A 125 21.066 9.721 18.038 1.00 0.00 O +HETATM 1493 H1 UFX A 125 23.187 10.554 20.282 1.00 0.00 H +HETATM 1494 H2 UFX A 125 23.780 9.399 18.986 1.00 0.00 H +HETATM 1495 H3 UFX A 125 24.609 10.850 19.508 1.00 0.00 H +HETATM 1496 H4 UFX A 125 23.215 12.386 18.415 1.00 0.00 H +HETATM 1497 H5 UFX A 125 23.404 11.131 17.168 1.00 0.00 H +HETATM 1498 H6 UFX A 125 21.114 11.751 17.390 1.00 0.00 H +HETATM 1499 H7 UFX A 125 21.121 11.405 19.167 1.00 0.00 H +HETATM 1500 H8 UFX A 125 21.281 9.183 18.830 1.00 0.00 H +HETATM 1501 C1 UFX A 126 10.663 7.398 23.512 1.00 0.00 C +HETATM 1502 C2 UFX A 126 12.008 8.115 23.758 1.00 0.00 C +HETATM 1503 C3 UFX A 126 11.679 9.267 24.786 1.00 0.00 C +HETATM 1504 O1 UFX A 126 12.861 9.854 25.221 1.00 0.00 O +HETATM 1505 H1 UFX A 126 10.370 6.819 24.388 1.00 0.00 H +HETATM 1506 H2 UFX A 126 9.931 8.149 23.212 1.00 0.00 H +HETATM 1507 H3 UFX A 126 10.874 6.649 22.749 1.00 0.00 H +HETATM 1508 H4 UFX A 126 12.671 7.437 24.296 1.00 0.00 H +HETATM 1509 H5 UFX A 126 12.438 8.647 22.909 1.00 0.00 H +HETATM 1510 H6 UFX A 126 11.150 8.932 25.678 1.00 0.00 H +HETATM 1511 H7 UFX A 126 11.170 10.029 24.196 1.00 0.00 H +HETATM 1512 H8 UFX A 126 13.442 10.052 24.456 1.00 0.00 H +HETATM 1513 C1 UFX A 127 3.482 7.583 25.201 1.00 0.00 C +HETATM 1514 C2 UFX A 127 2.310 7.257 26.155 1.00 0.00 C +HETATM 1515 C3 UFX A 127 1.624 8.502 26.792 1.00 0.00 C +HETATM 1516 O1 UFX A 127 2.585 9.046 27.648 1.00 0.00 O +HETATM 1517 H1 UFX A 127 3.050 8.045 24.313 1.00 0.00 H +HETATM 1518 H2 UFX A 127 4.187 8.331 25.562 1.00 0.00 H +HETATM 1519 H3 UFX A 127 4.041 6.709 24.865 1.00 0.00 H +HETATM 1520 H4 UFX A 127 1.550 6.675 25.633 1.00 0.00 H +HETATM 1521 H5 UFX A 127 2.641 6.555 26.920 1.00 0.00 H +HETATM 1522 H6 UFX A 127 0.761 8.102 27.325 1.00 0.00 H +HETATM 1523 H7 UFX A 127 1.125 9.200 26.120 1.00 0.00 H +HETATM 1524 H8 UFX A 127 2.975 8.430 28.304 1.00 0.00 H +HETATM 1525 C1 UFX A 128 8.788 9.836 14.145 1.00 0.00 C +HETATM 1526 C2 UFX A 128 7.471 9.661 14.942 1.00 0.00 C +HETATM 1527 C3 UFX A 128 6.417 8.753 14.205 1.00 0.00 C +HETATM 1528 O1 UFX A 128 6.900 7.509 13.902 1.00 0.00 O +HETATM 1529 H1 UFX A 128 8.547 10.211 13.150 1.00 0.00 H +HETATM 1530 H2 UFX A 128 9.398 10.584 14.652 1.00 0.00 H +HETATM 1531 H3 UFX A 128 9.246 8.847 14.145 1.00 0.00 H +HETATM 1532 H4 UFX A 128 7.713 9.267 15.929 1.00 0.00 H +HETATM 1533 H5 UFX A 128 7.137 10.650 15.256 1.00 0.00 H +HETATM 1534 H6 UFX A 128 6.254 9.283 13.266 1.00 0.00 H +HETATM 1535 H7 UFX A 128 5.517 8.620 14.805 1.00 0.00 H +HETATM 1536 H8 UFX A 128 7.051 7.022 14.740 1.00 0.00 H +HETATM 1537 C1 UFX A 129 10.268 -2.881 30.339 1.00 0.00 C +HETATM 1538 C2 UFX A 129 9.476 -1.797 31.187 1.00 0.00 C +HETATM 1539 C3 UFX A 129 7.930 -2.030 30.841 1.00 0.00 C +HETATM 1540 O1 UFX A 129 7.698 -1.657 29.443 1.00 0.00 O +HETATM 1541 H1 UFX A 129 9.983 -2.770 29.292 1.00 0.00 H +HETATM 1542 H2 UFX A 129 11.354 -2.794 30.346 1.00 0.00 H +HETATM 1543 H3 UFX A 129 9.993 -3.871 30.703 1.00 0.00 H +HETATM 1544 H4 UFX A 129 9.728 -1.897 32.243 1.00 0.00 H +HETATM 1545 H5 UFX A 129 9.708 -0.779 30.871 1.00 0.00 H +HETATM 1546 H6 UFX A 129 7.327 -1.370 31.464 1.00 0.00 H +HETATM 1547 H7 UFX A 129 7.548 -3.042 30.976 1.00 0.00 H +HETATM 1548 H8 UFX A 129 8.142 -0.804 29.251 1.00 0.00 H +HETATM 1549 C1 UFX A 130 25.056 16.111 4.415 1.00 0.00 C +HETATM 1550 C2 UFX A 130 24.294 17.515 4.220 1.00 0.00 C +HETATM 1551 C3 UFX A 130 22.738 17.348 4.443 1.00 0.00 C +HETATM 1552 O1 UFX A 130 22.213 16.397 3.496 1.00 0.00 O +HETATM 1553 H1 UFX A 130 24.901 15.738 5.427 1.00 0.00 H +HETATM 1554 H2 UFX A 130 24.502 15.331 3.891 1.00 0.00 H +HETATM 1555 H3 UFX A 130 26.113 16.176 4.158 1.00 0.00 H +HETATM 1556 H4 UFX A 130 24.589 18.224 4.993 1.00 0.00 H +HETATM 1557 H5 UFX A 130 24.555 17.891 3.231 1.00 0.00 H +HETATM 1558 H6 UFX A 130 22.242 18.299 4.247 1.00 0.00 H +HETATM 1559 H7 UFX A 130 22.528 17.084 5.480 1.00 0.00 H +HETATM 1560 H8 UFX A 130 21.272 16.276 3.744 1.00 0.00 H +HETATM 1561 C1 UFX A 131 13.468 17.314 20.956 1.00 0.00 C +HETATM 1562 C2 UFX A 131 14.276 16.635 22.073 1.00 0.00 C +HETATM 1563 C3 UFX A 131 15.732 16.672 21.783 1.00 0.00 C +HETATM 1564 O1 UFX A 131 16.411 15.877 22.708 1.00 0.00 O +HETATM 1565 H1 UFX A 131 12.419 17.378 21.244 1.00 0.00 H +HETATM 1566 H2 UFX A 131 13.931 18.282 20.764 1.00 0.00 H +HETATM 1567 H3 UFX A 131 13.538 16.725 20.041 1.00 0.00 H +HETATM 1568 H4 UFX A 131 14.150 17.047 23.075 1.00 0.00 H +HETATM 1569 H5 UFX A 131 13.961 15.606 22.244 1.00 0.00 H +HETATM 1570 H6 UFX A 131 16.156 17.667 21.643 1.00 0.00 H +HETATM 1571 H7 UFX A 131 15.836 16.238 20.789 1.00 0.00 H +HETATM 1572 H8 UFX A 131 16.481 16.143 23.650 1.00 0.00 H +HETATM 1573 C1 UFX A 132 13.853 7.001 17.023 1.00 0.00 C +HETATM 1574 C2 UFX A 132 15.093 6.129 16.728 1.00 0.00 C +HETATM 1575 C3 UFX A 132 14.689 4.855 16.017 1.00 0.00 C +HETATM 1576 O1 UFX A 132 13.648 4.160 16.732 1.00 0.00 O +HETATM 1577 H1 UFX A 132 14.151 7.998 17.345 1.00 0.00 H +HETATM 1578 H2 UFX A 132 13.178 7.069 16.169 1.00 0.00 H +HETATM 1579 H3 UFX A 132 13.223 6.589 17.811 1.00 0.00 H +HETATM 1580 H4 UFX A 132 15.779 6.769 16.172 1.00 0.00 H +HETATM 1581 H5 UFX A 132 15.597 5.799 17.636 1.00 0.00 H +HETATM 1582 H6 UFX A 132 15.519 4.152 16.091 1.00 0.00 H +HETATM 1583 H7 UFX A 132 14.373 4.983 14.981 1.00 0.00 H +HETATM 1584 H8 UFX A 132 13.856 4.077 17.687 1.00 0.00 H +HETATM 1585 C1 UFX A 133 0.901 10.364 22.864 1.00 0.00 C +HETATM 1586 C2 UFX A 133 -0.429 11.165 22.562 1.00 0.00 C +HETATM 1587 C3 UFX A 133 -0.499 12.284 23.568 1.00 0.00 C +HETATM 1588 O1 UFX A 133 -0.914 11.819 24.859 1.00 0.00 O +HETATM 1589 H1 UFX A 133 0.920 9.481 22.224 1.00 0.00 H +HETATM 1590 H2 UFX A 133 1.874 10.805 22.647 1.00 0.00 H +HETATM 1591 H3 UFX A 133 0.823 9.903 23.849 1.00 0.00 H +HETATM 1592 H4 UFX A 133 -0.324 11.625 21.579 1.00 0.00 H +HETATM 1593 H5 UFX A 133 -1.287 10.494 22.553 1.00 0.00 H +HETATM 1594 H6 UFX A 133 -1.255 12.987 23.218 1.00 0.00 H +HETATM 1595 H7 UFX A 133 0.474 12.758 23.699 1.00 0.00 H +HETATM 1596 H8 UFX A 133 -1.378 12.541 25.333 1.00 0.00 H +HETATM 1597 C1 UFX A 134 5.283 1.047 7.710 1.00 0.00 C +HETATM 1598 C2 UFX A 134 3.917 1.429 7.296 1.00 0.00 C +HETATM 1599 C3 UFX A 134 2.734 0.487 7.629 1.00 0.00 C +HETATM 1600 O1 UFX A 134 1.532 0.794 6.940 1.00 0.00 O +HETATM 1601 H1 UFX A 134 5.223 1.047 8.798 1.00 0.00 H +HETATM 1602 H2 UFX A 134 5.582 0.093 7.275 1.00 0.00 H +HETATM 1603 H3 UFX A 134 5.927 1.869 7.396 1.00 0.00 H +HETATM 1604 H4 UFX A 134 3.752 2.364 7.832 1.00 0.00 H +HETATM 1605 H5 UFX A 134 3.940 1.691 6.238 1.00 0.00 H +HETATM 1606 H6 UFX A 134 2.617 0.374 8.706 1.00 0.00 H +HETATM 1607 H7 UFX A 134 2.958 -0.535 7.321 1.00 0.00 H +HETATM 1608 H8 UFX A 134 1.145 1.584 7.374 1.00 0.00 H +HETATM 1609 C1 UFX A 135 12.765 12.490 20.672 1.00 0.00 C +HETATM 1610 C2 UFX A 135 12.388 11.313 19.820 1.00 0.00 C +HETATM 1611 C3 UFX A 135 13.549 10.594 19.073 1.00 0.00 C +HETATM 1612 O1 UFX A 135 14.482 10.188 20.066 1.00 0.00 O +HETATM 1613 H1 UFX A 135 13.488 12.182 21.428 1.00 0.00 H +HETATM 1614 H2 UFX A 135 13.278 13.246 20.077 1.00 0.00 H +HETATM 1615 H3 UFX A 135 11.929 13.001 21.151 1.00 0.00 H +HETATM 1616 H4 UFX A 135 11.918 10.533 20.419 1.00 0.00 H +HETATM 1617 H5 UFX A 135 11.529 11.499 19.175 1.00 0.00 H +HETATM 1618 H6 UFX A 135 14.042 11.200 18.312 1.00 0.00 H +HETATM 1619 H7 UFX A 135 13.178 9.751 18.489 1.00 0.00 H +HETATM 1620 H8 UFX A 135 15.319 9.875 19.659 1.00 0.00 H +HETATM 1621 C1 UFX A 136 3.669 5.159 17.004 1.00 0.00 C +HETATM 1622 C2 UFX A 136 3.762 6.075 18.156 1.00 0.00 C +HETATM 1623 C3 UFX A 136 4.886 5.647 19.134 1.00 0.00 C +HETATM 1624 O1 UFX A 136 4.659 6.358 20.362 1.00 0.00 O +HETATM 1625 H1 UFX A 136 3.003 5.607 16.266 1.00 0.00 H +HETATM 1626 H2 UFX A 136 4.609 5.061 16.460 1.00 0.00 H +HETATM 1627 H3 UFX A 136 3.328 4.172 17.317 1.00 0.00 H +HETATM 1628 H4 UFX A 136 4.084 7.051 17.793 1.00 0.00 H +HETATM 1629 H5 UFX A 136 2.867 6.122 18.777 1.00 0.00 H +HETATM 1630 H6 UFX A 136 5.820 5.916 18.639 1.00 0.00 H +HETATM 1631 H7 UFX A 136 4.916 4.560 19.220 1.00 0.00 H +HETATM 1632 H8 UFX A 136 4.662 7.327 20.203 1.00 0.00 H +HETATM 1633 C1 UFX A 137 14.879 11.414 -1.366 1.00 0.00 C +HETATM 1634 C2 UFX A 137 13.612 12.047 -1.975 1.00 0.00 C +HETATM 1635 C3 UFX A 137 13.484 11.784 -3.503 1.00 0.00 C +HETATM 1636 O1 UFX A 137 13.033 10.461 -3.638 1.00 0.00 O +HETATM 1637 H1 UFX A 137 15.033 11.612 -0.306 1.00 0.00 H +HETATM 1638 H2 UFX A 137 14.852 10.326 -1.430 1.00 0.00 H +HETATM 1639 H3 UFX A 137 15.740 11.724 -1.959 1.00 0.00 H +HETATM 1640 H4 UFX A 137 12.757 11.736 -1.375 1.00 0.00 H +HETATM 1641 H5 UFX A 137 13.632 13.133 -1.888 1.00 0.00 H +HETATM 1642 H6 UFX A 137 14.463 11.958 -3.948 1.00 0.00 H +HETATM 1643 H7 UFX A 137 12.732 12.461 -3.910 1.00 0.00 H +HETATM 1644 H8 UFX A 137 12.959 10.249 -4.593 1.00 0.00 H +HETATM 1645 C1 UFX A 138 -8.925 13.444 13.360 1.00 0.00 C +HETATM 1646 C2 UFX A 138 -8.561 12.538 14.495 1.00 0.00 C +HETATM 1647 C3 UFX A 138 -7.517 11.473 14.003 1.00 0.00 C +HETATM 1648 O1 UFX A 138 -8.152 10.489 13.164 1.00 0.00 O +HETATM 1649 H1 UFX A 138 -9.694 14.154 13.667 1.00 0.00 H +HETATM 1650 H2 UFX A 138 -8.108 14.000 12.900 1.00 0.00 H +HETATM 1651 H3 UFX A 138 -9.463 12.845 12.625 1.00 0.00 H +HETATM 1652 H4 UFX A 138 -8.162 13.144 15.309 1.00 0.00 H +HETATM 1653 H5 UFX A 138 -9.440 12.019 14.876 1.00 0.00 H +HETATM 1654 H6 UFX A 138 -7.035 10.966 14.839 1.00 0.00 H +HETATM 1655 H7 UFX A 138 -6.701 11.981 13.490 1.00 0.00 H +HETATM 1656 H8 UFX A 138 -8.821 9.990 13.681 1.00 0.00 H +HETATM 1657 C1 UFX A 139 12.413 21.550 4.947 1.00 0.00 C +HETATM 1658 C2 UFX A 139 11.386 20.979 3.961 1.00 0.00 C +HETATM 1659 C3 UFX A 139 9.945 21.284 4.501 1.00 0.00 C +HETATM 1660 O1 UFX A 139 9.783 22.613 4.839 1.00 0.00 O +HETATM 1661 H1 UFX A 139 13.444 21.253 4.751 1.00 0.00 H +HETATM 1662 H2 UFX A 139 12.312 22.632 5.030 1.00 0.00 H +HETATM 1663 H3 UFX A 139 12.240 21.328 6.000 1.00 0.00 H +HETATM 1664 H4 UFX A 139 11.525 21.433 2.979 1.00 0.00 H +HETATM 1665 H5 UFX A 139 11.424 19.896 3.843 1.00 0.00 H +HETATM 1666 H6 UFX A 139 9.766 20.625 5.351 1.00 0.00 H +HETATM 1667 H7 UFX A 139 9.282 21.087 3.658 1.00 0.00 H +HETATM 1668 H8 UFX A 139 8.981 22.740 5.390 1.00 0.00 H +HETATM 1669 C1 UFX A 140 16.618 0.315 10.539 1.00 0.00 C +HETATM 1670 C2 UFX A 140 16.344 1.107 9.245 1.00 0.00 C +HETATM 1671 C3 UFX A 140 17.617 1.128 8.339 1.00 0.00 C +HETATM 1672 O1 UFX A 140 18.698 1.810 9.092 1.00 0.00 O +HETATM 1673 H1 UFX A 140 17.060 -0.650 10.292 1.00 0.00 H +HETATM 1674 H2 UFX A 140 17.312 0.797 11.228 1.00 0.00 H +HETATM 1675 H3 UFX A 140 15.726 0.189 11.151 1.00 0.00 H +HETATM 1676 H4 UFX A 140 15.549 0.684 8.632 1.00 0.00 H +HETATM 1677 H5 UFX A 140 16.239 2.167 9.473 1.00 0.00 H +HETATM 1678 H6 UFX A 140 17.383 1.662 7.417 1.00 0.00 H +HETATM 1679 H7 UFX A 140 17.826 0.108 8.016 1.00 0.00 H +HETATM 1680 H8 UFX A 140 18.412 2.715 9.343 1.00 0.00 H +HETATM 1681 C1 UFX A 141 6.192 29.179 23.578 1.00 0.00 C +HETATM 1682 C2 UFX A 141 4.961 30.184 23.619 1.00 0.00 C +HETATM 1683 C3 UFX A 141 3.907 29.793 22.514 1.00 0.00 C +HETATM 1684 O1 UFX A 141 4.335 29.763 21.217 1.00 0.00 O +HETATM 1685 H1 UFX A 141 5.761 28.184 23.691 1.00 0.00 H +HETATM 1686 H2 UFX A 141 6.649 29.214 22.589 1.00 0.00 H +HETATM 1687 H3 UFX A 141 6.861 29.464 24.390 1.00 0.00 H +HETATM 1688 H4 UFX A 141 4.472 30.189 24.593 1.00 0.00 H +HETATM 1689 H5 UFX A 141 5.284 31.208 23.426 1.00 0.00 H +HETATM 1690 H6 UFX A 141 3.077 30.499 22.513 1.00 0.00 H +HETATM 1691 H7 UFX A 141 3.520 28.808 22.777 1.00 0.00 H +HETATM 1692 H8 UFX A 141 4.758 30.592 20.905 1.00 0.00 H +HETATM 1693 C1 UFX A 142 29.785 7.352 -7.716 1.00 0.00 C +HETATM 1694 C2 UFX A 142 29.787 7.786 -6.264 1.00 0.00 C +HETATM 1695 C3 UFX A 142 28.743 8.734 -5.682 1.00 0.00 C +HETATM 1696 O1 UFX A 142 28.626 9.890 -6.538 1.00 0.00 O +HETATM 1697 H1 UFX A 142 28.993 6.626 -7.900 1.00 0.00 H +HETATM 1698 H2 UFX A 142 29.646 8.115 -8.482 1.00 0.00 H +HETATM 1699 H3 UFX A 142 30.710 6.796 -7.875 1.00 0.00 H +HETATM 1700 H4 UFX A 142 29.768 6.832 -5.738 1.00 0.00 H +HETATM 1701 H5 UFX A 142 30.714 8.350 -6.163 1.00 0.00 H +HETATM 1702 H6 UFX A 142 29.170 9.020 -4.721 1.00 0.00 H +HETATM 1703 H7 UFX A 142 27.768 8.249 -5.634 1.00 0.00 H +HETATM 1704 H8 UFX A 142 29.410 10.478 -6.576 1.00 0.00 H +HETATM 1705 C1 UFX A 143 34.660 21.621 25.084 1.00 0.00 C +HETATM 1706 C2 UFX A 143 34.126 20.239 24.804 1.00 0.00 C +HETATM 1707 C3 UFX A 143 34.539 19.675 23.433 1.00 0.00 C +HETATM 1708 O1 UFX A 143 34.325 20.561 22.322 1.00 0.00 O +HETATM 1709 H1 UFX A 143 35.689 21.688 24.730 1.00 0.00 H +HETATM 1710 H2 UFX A 143 34.066 22.303 24.475 1.00 0.00 H +HETATM 1711 H3 UFX A 143 34.745 22.025 26.092 1.00 0.00 H +HETATM 1712 H4 UFX A 143 34.568 19.635 25.597 1.00 0.00 H +HETATM 1713 H5 UFX A 143 33.036 20.244 24.772 1.00 0.00 H +HETATM 1714 H6 UFX A 143 34.104 18.701 23.210 1.00 0.00 H +HETATM 1715 H7 UFX A 143 35.567 19.327 23.536 1.00 0.00 H +HETATM 1716 H8 UFX A 143 33.475 21.029 22.467 1.00 0.00 H +HETATM 1717 C1 UFX A 144 17.047 8.035 -3.852 1.00 0.00 C +HETATM 1718 C2 UFX A 144 18.057 8.335 -2.726 1.00 0.00 C +HETATM 1719 C3 UFX A 144 18.436 9.860 -2.636 1.00 0.00 C +HETATM 1720 O1 UFX A 144 19.005 10.275 -3.925 1.00 0.00 O +HETATM 1721 H1 UFX A 144 16.027 7.934 -3.480 1.00 0.00 H +HETATM 1722 H2 UFX A 144 17.038 8.885 -4.535 1.00 0.00 H +HETATM 1723 H3 UFX A 144 17.316 7.096 -4.336 1.00 0.00 H +HETATM 1724 H4 UFX A 144 17.602 8.053 -1.776 1.00 0.00 H +HETATM 1725 H5 UFX A 144 18.951 7.713 -2.766 1.00 0.00 H +HETATM 1726 H6 UFX A 144 19.157 9.928 -1.821 1.00 0.00 H +HETATM 1727 H7 UFX A 144 17.598 10.484 -2.325 1.00 0.00 H +HETATM 1728 H8 UFX A 144 18.337 10.196 -4.639 1.00 0.00 H +HETATM 1729 C1 UFX A 145 26.752 25.549 13.344 1.00 0.00 C +HETATM 1730 C2 UFX A 145 27.788 25.602 12.139 1.00 0.00 C +HETATM 1731 C3 UFX A 145 29.032 26.458 12.424 1.00 0.00 C +HETATM 1732 O1 UFX A 145 28.736 27.831 12.366 1.00 0.00 O +HETATM 1733 H1 UFX A 145 26.293 26.515 13.555 1.00 0.00 H +HETATM 1734 H2 UFX A 145 25.888 24.906 13.170 1.00 0.00 H +HETATM 1735 H3 UFX A 145 27.235 25.101 14.212 1.00 0.00 H +HETATM 1736 H4 UFX A 145 28.076 24.565 11.966 1.00 0.00 H +HETATM 1737 H5 UFX A 145 27.166 25.892 11.292 1.00 0.00 H +HETATM 1738 H6 UFX A 145 29.839 26.302 11.709 1.00 0.00 H +HETATM 1739 H7 UFX A 145 29.502 26.069 13.328 1.00 0.00 H +HETATM 1740 H8 UFX A 145 27.772 28.011 12.366 1.00 0.00 H +HETATM 1741 C1 UFX A 146 35.914 25.504 20.853 1.00 0.00 C +HETATM 1742 C2 UFX A 146 34.735 26.108 19.924 1.00 0.00 C +HETATM 1743 C3 UFX A 146 35.193 26.915 18.718 1.00 0.00 C +HETATM 1744 O1 UFX A 146 36.218 27.879 19.091 1.00 0.00 O +HETATM 1745 H1 UFX A 146 35.483 24.834 21.597 1.00 0.00 H +HETATM 1746 H2 UFX A 146 36.741 24.987 20.366 1.00 0.00 H +HETATM 1747 H3 UFX A 146 36.368 26.326 21.406 1.00 0.00 H +HETATM 1748 H4 UFX A 146 34.168 25.283 19.494 1.00 0.00 H +HETATM 1749 H5 UFX A 146 34.069 26.693 20.558 1.00 0.00 H +HETATM 1750 H6 UFX A 146 34.360 27.456 18.268 1.00 0.00 H +HETATM 1751 H7 UFX A 146 35.546 26.156 18.020 1.00 0.00 H +HETATM 1752 H8 UFX A 146 35.886 28.365 19.876 1.00 0.00 H +HETATM 1753 C1 UFX A 147 25.774 20.934 16.425 1.00 0.00 C +HETATM 1754 C2 UFX A 147 26.053 21.318 17.901 1.00 0.00 C +HETATM 1755 C3 UFX A 147 27.408 22.045 18.126 1.00 0.00 C +HETATM 1756 O1 UFX A 147 27.565 22.502 19.459 1.00 0.00 O +HETATM 1757 H1 UFX A 147 26.307 20.014 16.182 1.00 0.00 H +HETATM 1758 H2 UFX A 147 24.724 20.643 16.401 1.00 0.00 H +HETATM 1759 H3 UFX A 147 25.784 21.774 15.730 1.00 0.00 H +HETATM 1760 H4 UFX A 147 25.231 21.915 18.296 1.00 0.00 H +HETATM 1761 H5 UFX A 147 26.051 20.367 18.435 1.00 0.00 H +HETATM 1762 H6 UFX A 147 27.268 22.988 17.597 1.00 0.00 H +HETATM 1763 H7 UFX A 147 28.285 21.451 17.868 1.00 0.00 H +HETATM 1764 H8 UFX A 147 26.794 23.077 19.651 1.00 0.00 H +HETATM 1765 C1 UFX A 148 23.484 29.476 21.645 1.00 0.00 C +HETATM 1766 C2 UFX A 148 23.891 30.070 20.256 1.00 0.00 C +HETATM 1767 C3 UFX A 148 24.238 28.943 19.347 1.00 0.00 C +HETATM 1768 O1 UFX A 148 24.808 29.372 18.114 1.00 0.00 O +HETATM 1769 H1 UFX A 148 22.553 28.927 21.502 1.00 0.00 H +HETATM 1770 H2 UFX A 148 24.213 28.806 22.101 1.00 0.00 H +HETATM 1771 H3 UFX A 148 23.284 30.323 22.302 1.00 0.00 H +HETATM 1772 H4 UFX A 148 22.985 30.520 19.848 1.00 0.00 H +HETATM 1773 H5 UFX A 148 24.682 30.813 20.360 1.00 0.00 H +HETATM 1774 H6 UFX A 148 23.285 28.481 19.092 1.00 0.00 H +HETATM 1775 H7 UFX A 148 24.914 28.334 19.948 1.00 0.00 H +HETATM 1776 H8 UFX A 148 24.173 30.000 17.706 1.00 0.00 H +HETATM 1777 C1 UFX A 149 7.165 22.572 24.259 1.00 0.00 C +HETATM 1778 C2 UFX A 149 7.404 23.271 25.637 1.00 0.00 C +HETATM 1779 C3 UFX A 149 8.661 22.588 26.301 1.00 0.00 C +HETATM 1780 O1 UFX A 149 8.365 21.194 26.550 1.00 0.00 O +HETATM 1781 H1 UFX A 149 6.681 21.604 24.390 1.00 0.00 H +HETATM 1782 H2 UFX A 149 6.463 23.231 23.747 1.00 0.00 H +HETATM 1783 H3 UFX A 149 8.084 22.492 23.678 1.00 0.00 H +HETATM 1784 H4 UFX A 149 7.630 24.310 25.396 1.00 0.00 H +HETATM 1785 H5 UFX A 149 6.561 23.190 26.323 1.00 0.00 H +HETATM 1786 H6 UFX A 149 8.952 23.050 27.244 1.00 0.00 H +HETATM 1787 H7 UFX A 149 9.509 22.687 25.623 1.00 0.00 H +HETATM 1788 H8 UFX A 149 8.235 20.672 25.730 1.00 0.00 H +HETATM 1789 C1 UFX A 150 24.900 22.071 11.955 1.00 0.00 C +HETATM 1790 C2 UFX A 150 25.711 20.797 11.986 1.00 0.00 C +HETATM 1791 C3 UFX A 150 26.878 20.860 10.966 1.00 0.00 C +HETATM 1792 O1 UFX A 150 26.428 20.577 9.680 1.00 0.00 O +HETATM 1793 H1 UFX A 150 24.115 22.116 12.710 1.00 0.00 H +HETATM 1794 H2 UFX A 150 25.593 22.882 12.179 1.00 0.00 H +HETATM 1795 H3 UFX A 150 24.606 22.310 10.933 1.00 0.00 H +HETATM 1796 H4 UFX A 150 26.094 20.653 12.997 1.00 0.00 H +HETATM 1797 H5 UFX A 150 25.044 19.960 11.778 1.00 0.00 H +HETATM 1798 H6 UFX A 150 27.534 20.028 11.224 1.00 0.00 H +HETATM 1799 H7 UFX A 150 27.418 21.806 11.016 1.00 0.00 H +HETATM 1800 H8 UFX A 150 25.852 21.304 9.360 1.00 0.00 H +HETATM 1801 C1 UFX A 151 -2.997 2.210 6.702 1.00 0.00 C +HETATM 1802 C2 UFX A 151 -2.376 1.232 7.719 1.00 0.00 C +HETATM 1803 C3 UFX A 151 -1.803 1.842 8.989 1.00 0.00 C +HETATM 1804 O1 UFX A 151 -0.547 2.449 8.663 1.00 0.00 O +HETATM 1805 H1 UFX A 151 -3.263 1.694 5.779 1.00 0.00 H +HETATM 1806 H2 UFX A 151 -3.883 2.753 7.032 1.00 0.00 H +HETATM 1807 H3 UFX A 151 -2.187 2.906 6.484 1.00 0.00 H +HETATM 1808 H4 UFX A 151 -3.205 0.603 8.044 1.00 0.00 H +HETATM 1809 H5 UFX A 151 -1.637 0.706 7.114 1.00 0.00 H +HETATM 1810 H6 UFX A 151 -1.646 1.078 9.750 1.00 0.00 H +HETATM 1811 H7 UFX A 151 -2.515 2.583 9.352 1.00 0.00 H +HETATM 1812 H8 UFX A 151 -0.513 3.407 8.873 1.00 0.00 H +HETATM 1813 C1 UFX A 152 14.785 11.231 3.963 1.00 0.00 C +HETATM 1814 C2 UFX A 152 15.689 11.734 5.105 1.00 0.00 C +HETATM 1815 C3 UFX A 152 16.503 10.625 5.881 1.00 0.00 C +HETATM 1816 O1 UFX A 152 15.558 9.603 6.351 1.00 0.00 O +HETATM 1817 H1 UFX A 152 13.992 10.648 4.432 1.00 0.00 H +HETATM 1818 H2 UFX A 152 14.333 12.082 3.454 1.00 0.00 H +HETATM 1819 H3 UFX A 152 15.293 10.583 3.248 1.00 0.00 H +HETATM 1820 H4 UFX A 152 16.387 12.479 4.721 1.00 0.00 H +HETATM 1821 H5 UFX A 152 15.026 12.241 5.806 1.00 0.00 H +HETATM 1822 H6 UFX A 152 16.957 11.081 6.761 1.00 0.00 H +HETATM 1823 H7 UFX A 152 17.389 10.222 5.390 1.00 0.00 H +HETATM 1824 H8 UFX A 152 15.730 9.322 7.275 1.00 0.00 H +HETATM 1825 C1 UFX A 153 6.126 -0.915 12.676 1.00 0.00 C +HETATM 1826 C2 UFX A 153 5.320 -0.532 11.481 1.00 0.00 C +HETATM 1827 C3 UFX A 153 3.895 -1.166 11.477 1.00 0.00 C +HETATM 1828 O1 UFX A 153 3.974 -2.609 11.328 1.00 0.00 O +HETATM 1829 H1 UFX A 153 5.649 -0.605 13.605 1.00 0.00 H +HETATM 1830 H2 UFX A 153 6.389 -1.973 12.684 1.00 0.00 H +HETATM 1831 H3 UFX A 153 7.095 -0.415 12.671 1.00 0.00 H +HETATM 1832 H4 UFX A 153 5.147 0.542 11.552 1.00 0.00 H +HETATM 1833 H5 UFX A 153 5.900 -0.765 10.588 1.00 0.00 H +HETATM 1834 H6 UFX A 153 3.287 -0.802 10.649 1.00 0.00 H +HETATM 1835 H7 UFX A 153 3.415 -0.815 12.391 1.00 0.00 H +HETATM 1836 H8 UFX A 153 3.083 -3.014 11.398 1.00 0.00 H +HETATM 1837 C1 UFX A 154 21.107 3.554 13.543 1.00 0.00 C +HETATM 1838 C2 UFX A 154 19.891 2.757 13.214 1.00 0.00 C +HETATM 1839 C3 UFX A 154 20.004 1.387 13.928 1.00 0.00 C +HETATM 1840 O1 UFX A 154 20.891 0.446 13.302 1.00 0.00 O +HETATM 1841 H1 UFX A 154 21.972 3.101 13.058 1.00 0.00 H +HETATM 1842 H2 UFX A 154 21.043 4.509 13.022 1.00 0.00 H +HETATM 1843 H3 UFX A 154 21.284 3.724 14.605 1.00 0.00 H +HETATM 1844 H4 UFX A 154 18.959 3.215 13.548 1.00 0.00 H +HETATM 1845 H5 UFX A 154 19.687 2.556 12.162 1.00 0.00 H +HETATM 1846 H6 UFX A 154 19.005 0.981 13.770 1.00 0.00 H +HETATM 1847 H7 UFX A 154 20.246 1.510 14.984 1.00 0.00 H +HETATM 1848 H8 UFX A 154 20.589 0.130 12.424 1.00 0.00 H +HETATM 1849 C1 UFX A 155 23.778 27.536 32.387 1.00 0.00 C +HETATM 1850 C2 UFX A 155 24.306 28.941 31.978 1.00 0.00 C +HETATM 1851 C3 UFX A 155 23.641 29.393 30.643 1.00 0.00 C +HETATM 1852 O1 UFX A 155 22.295 29.747 30.928 1.00 0.00 O +HETATM 1853 H1 UFX A 155 22.695 27.583 32.270 1.00 0.00 H +HETATM 1854 H2 UFX A 155 24.061 26.906 31.543 1.00 0.00 H +HETATM 1855 H3 UFX A 155 24.155 27.254 33.371 1.00 0.00 H +HETATM 1856 H4 UFX A 155 24.021 29.689 32.719 1.00 0.00 H +HETATM 1857 H5 UFX A 155 25.391 29.003 32.064 1.00 0.00 H +HETATM 1858 H6 UFX A 155 23.683 28.628 29.867 1.00 0.00 H +HETATM 1859 H7 UFX A 155 24.165 30.256 30.232 1.00 0.00 H +HETATM 1860 H8 UFX A 155 22.263 30.069 31.854 1.00 0.00 H +HETATM 1861 C1 UFX A 156 14.019 6.049 22.032 1.00 0.00 C +HETATM 1862 C2 UFX A 156 13.794 4.648 21.315 1.00 0.00 C +HETATM 1863 C3 UFX A 156 14.590 4.618 20.014 1.00 0.00 C +HETATM 1864 O1 UFX A 156 14.361 3.372 19.283 1.00 0.00 O +HETATM 1865 H1 UFX A 156 13.533 5.937 23.001 1.00 0.00 H +HETATM 1866 H2 UFX A 156 15.057 6.249 22.295 1.00 0.00 H +HETATM 1867 H3 UFX A 156 13.511 6.845 21.487 1.00 0.00 H +HETATM 1868 H4 UFX A 156 14.117 3.802 21.921 1.00 0.00 H +HETATM 1869 H5 UFX A 156 12.745 4.525 21.048 1.00 0.00 H +HETATM 1870 H6 UFX A 156 15.657 4.809 20.125 1.00 0.00 H +HETATM 1871 H7 UFX A 156 14.237 5.404 19.346 1.00 0.00 H +HETATM 1872 H8 UFX A 156 14.563 2.579 19.825 1.00 0.00 H +HETATM 1873 C1 UFX A 157 15.214 24.512 30.735 1.00 0.00 C +HETATM 1874 C2 UFX A 157 13.813 24.549 31.149 1.00 0.00 C +HETATM 1875 C3 UFX A 157 12.917 25.107 30.013 1.00 0.00 C +HETATM 1876 O1 UFX A 157 13.227 26.416 29.717 1.00 0.00 O +HETATM 1877 H1 UFX A 157 15.795 23.952 31.468 1.00 0.00 H +HETATM 1878 H2 UFX A 157 15.373 24.123 29.729 1.00 0.00 H +HETATM 1879 H3 UFX A 157 15.508 25.562 30.724 1.00 0.00 H +HETATM 1880 H4 UFX A 157 13.410 23.544 31.272 1.00 0.00 H +HETATM 1881 H5 UFX A 157 13.632 25.265 31.951 1.00 0.00 H +HETATM 1882 H6 UFX A 157 11.880 25.153 30.345 1.00 0.00 H +HETATM 1883 H7 UFX A 157 12.953 24.479 29.123 1.00 0.00 H +HETATM 1884 H8 UFX A 157 13.235 26.982 30.519 1.00 0.00 H +HETATM 1885 C1 UFX A 158 7.394 23.961 12.302 1.00 0.00 C +HETATM 1886 C2 UFX A 158 6.256 24.984 12.577 1.00 0.00 C +HETATM 1887 C3 UFX A 158 6.805 26.458 12.396 1.00 0.00 C +HETATM 1888 O1 UFX A 158 7.935 26.722 13.158 1.00 0.00 O +HETATM 1889 H1 UFX A 158 8.117 24.001 13.116 1.00 0.00 H +HETATM 1890 H2 UFX A 158 7.056 22.930 12.194 1.00 0.00 H +HETATM 1891 H3 UFX A 158 7.905 24.239 11.380 1.00 0.00 H +HETATM 1892 H4 UFX A 158 5.473 24.879 11.825 1.00 0.00 H +HETATM 1893 H5 UFX A 158 5.789 24.830 13.549 1.00 0.00 H +HETATM 1894 H6 UFX A 158 5.994 27.171 12.543 1.00 0.00 H +HETATM 1895 H7 UFX A 158 7.147 26.515 11.362 1.00 0.00 H +HETATM 1896 H8 UFX A 158 8.300 27.620 13.005 1.00 0.00 H +HETATM 1897 C1 UFX A 159 18.999 4.209 24.523 1.00 0.00 C +HETATM 1898 C2 UFX A 159 20.442 3.955 25.000 1.00 0.00 C +HETATM 1899 C3 UFX A 159 21.026 5.022 25.997 1.00 0.00 C +HETATM 1900 O1 UFX A 159 22.400 4.559 26.340 1.00 0.00 O +HETATM 1901 H1 UFX A 159 18.786 3.470 23.751 1.00 0.00 H +HETATM 1902 H2 UFX A 159 18.397 4.103 25.426 1.00 0.00 H +HETATM 1903 H3 UFX A 159 18.978 5.217 24.110 1.00 0.00 H +HETATM 1904 H4 UFX A 159 20.510 2.953 25.425 1.00 0.00 H +HETATM 1905 H5 UFX A 159 21.137 3.975 24.161 1.00 0.00 H +HETATM 1906 H6 UFX A 159 20.432 5.093 26.909 1.00 0.00 H +HETATM 1907 H7 UFX A 159 21.062 5.935 25.403 1.00 0.00 H +HETATM 1908 H8 UFX A 159 22.913 5.262 26.793 1.00 0.00 H +HETATM 1909 C1 UFX A 160 15.605 5.119 11.172 1.00 0.00 C +HETATM 1910 C2 UFX A 160 16.845 5.048 12.008 1.00 0.00 C +HETATM 1911 C3 UFX A 160 18.100 5.368 11.188 1.00 0.00 C +HETATM 1912 O1 UFX A 160 18.239 4.617 9.955 1.00 0.00 O +HETATM 1913 H1 UFX A 160 15.566 6.068 10.638 1.00 0.00 H +HETATM 1914 H2 UFX A 160 15.483 4.343 10.416 1.00 0.00 H +HETATM 1915 H3 UFX A 160 14.729 5.003 11.810 1.00 0.00 H +HETATM 1916 H4 UFX A 160 16.794 5.763 12.830 1.00 0.00 H +HETATM 1917 H5 UFX A 160 16.975 4.069 12.469 1.00 0.00 H +HETATM 1918 H6 UFX A 160 18.993 5.313 11.812 1.00 0.00 H +HETATM 1919 H7 UFX A 160 17.958 6.396 10.855 1.00 0.00 H +HETATM 1920 H8 UFX A 160 17.711 5.039 9.244 1.00 0.00 H +HETATM 1921 C1 UFX A 161 22.935 22.410 28.085 1.00 0.00 C +HETATM 1922 C2 UFX A 161 21.681 21.562 28.332 1.00 0.00 C +HETATM 1923 C3 UFX A 161 21.933 20.097 28.534 1.00 0.00 C +HETATM 1924 O1 UFX A 161 21.055 19.616 29.549 1.00 0.00 O +HETATM 1925 H1 UFX A 161 22.702 23.473 28.156 1.00 0.00 H +HETATM 1926 H2 UFX A 161 23.739 22.150 28.774 1.00 0.00 H +HETATM 1927 H3 UFX A 161 23.261 22.214 27.063 1.00 0.00 H +HETATM 1928 H4 UFX A 161 21.153 22.067 29.140 1.00 0.00 H +HETATM 1929 H5 UFX A 161 21.025 21.714 27.475 1.00 0.00 H +HETATM 1930 H6 UFX A 161 22.983 19.969 28.795 1.00 0.00 H +HETATM 1931 H7 UFX A 161 21.626 19.636 27.595 1.00 0.00 H +HETATM 1932 H8 UFX A 161 21.378 18.762 29.910 1.00 0.00 H +HETATM 1933 C1 UFX A 162 19.691 20.290 18.848 1.00 0.00 C +HETATM 1934 C2 UFX A 162 19.518 19.223 19.960 1.00 0.00 C +HETATM 1935 C3 UFX A 162 18.272 18.284 19.636 1.00 0.00 C +HETATM 1936 O1 UFX A 162 18.490 17.734 18.283 1.00 0.00 O +HETATM 1937 H1 UFX A 162 20.431 21.069 19.032 1.00 0.00 H +HETATM 1938 H2 UFX A 162 20.083 19.792 17.961 1.00 0.00 H +HETATM 1939 H3 UFX A 162 18.746 20.784 18.619 1.00 0.00 H +HETATM 1940 H4 UFX A 162 20.374 18.559 20.085 1.00 0.00 H +HETATM 1941 H5 UFX A 162 19.283 19.688 20.918 1.00 0.00 H +HETATM 1942 H6 UFX A 162 17.342 18.847 19.721 1.00 0.00 H +HETATM 1943 H7 UFX A 162 18.290 17.416 20.296 1.00 0.00 H +HETATM 1944 H8 UFX A 162 19.395 17.359 18.233 1.00 0.00 H +HETATM 1945 C1 UFX A 163 13.592 0.986 21.781 1.00 0.00 C +HETATM 1946 C2 UFX A 163 14.763 0.064 21.869 1.00 0.00 C +HETATM 1947 C3 UFX A 163 16.090 0.869 21.689 1.00 0.00 C +HETATM 1948 O1 UFX A 163 16.102 1.242 20.294 1.00 0.00 O +HETATM 1949 H1 UFX A 163 12.687 0.464 22.092 1.00 0.00 H +HETATM 1950 H2 UFX A 163 13.858 1.841 22.403 1.00 0.00 H +HETATM 1951 H3 UFX A 163 13.478 1.254 20.730 1.00 0.00 H +HETATM 1952 H4 UFX A 163 14.812 -0.519 22.789 1.00 0.00 H +HETATM 1953 H5 UFX A 163 14.549 -0.696 21.118 1.00 0.00 H +HETATM 1954 H6 UFX A 163 16.950 0.214 21.826 1.00 0.00 H +HETATM 1955 H7 UFX A 163 16.177 1.748 22.329 1.00 0.00 H +HETATM 1956 H8 UFX A 163 16.082 0.403 19.786 1.00 0.00 H +HETATM 1957 C1 UFX A 164 6.117 13.554 18.063 1.00 0.00 C +HETATM 1958 C2 UFX A 164 7.494 13.067 18.375 1.00 0.00 C +HETATM 1959 C3 UFX A 164 7.510 11.538 18.711 1.00 0.00 C +HETATM 1960 O1 UFX A 164 6.908 11.268 20.039 1.00 0.00 O +HETATM 1961 H1 UFX A 164 5.505 13.499 18.964 1.00 0.00 H +HETATM 1962 H2 UFX A 164 6.053 14.590 17.730 1.00 0.00 H +HETATM 1963 H3 UFX A 164 5.621 12.982 17.278 1.00 0.00 H +HETATM 1964 H4 UFX A 164 8.123 13.262 17.506 1.00 0.00 H +HETATM 1965 H5 UFX A 164 7.974 13.691 19.130 1.00 0.00 H +HETATM 1966 H6 UFX A 164 8.476 11.036 18.758 1.00 0.00 H +HETATM 1967 H7 UFX A 164 6.849 11.028 18.010 1.00 0.00 H +HETATM 1968 H8 UFX A 164 7.446 11.656 20.762 1.00 0.00 H +HETATM 1969 C1 UFX A 165 6.746 22.880 8.899 1.00 0.00 C +HETATM 1970 C2 UFX A 165 8.115 22.503 8.376 1.00 0.00 C +HETATM 1971 C3 UFX A 165 8.235 21.061 7.810 1.00 0.00 C +HETATM 1972 O1 UFX A 165 7.312 21.020 6.689 1.00 0.00 O +HETATM 1973 H1 UFX A 165 6.414 22.147 9.633 1.00 0.00 H +HETATM 1974 H2 UFX A 165 6.679 23.928 9.194 1.00 0.00 H +HETATM 1975 H3 UFX A 165 6.029 22.737 8.090 1.00 0.00 H +HETATM 1976 H4 UFX A 165 8.375 23.087 7.493 1.00 0.00 H +HETATM 1977 H5 UFX A 165 8.830 22.689 9.177 1.00 0.00 H +HETATM 1978 H6 UFX A 165 7.984 20.320 8.569 1.00 0.00 H +HETATM 1979 H7 UFX A 165 9.266 20.792 7.581 1.00 0.00 H +HETATM 1980 H8 UFX A 165 6.389 21.170 6.984 1.00 0.00 H +HETATM 1981 C1 UFX A 166 29.636 3.102 25.594 1.00 0.00 C +HETATM 1982 C2 UFX A 166 29.511 2.007 24.543 1.00 0.00 C +HETATM 1983 C3 UFX A 166 28.542 0.913 24.925 1.00 0.00 C +HETATM 1984 O1 UFX A 166 29.005 0.333 26.152 1.00 0.00 O +HETATM 1985 H1 UFX A 166 28.866 3.831 25.340 1.00 0.00 H +HETATM 1986 H2 UFX A 166 29.358 2.811 26.607 1.00 0.00 H +HETATM 1987 H3 UFX A 166 30.603 3.605 25.599 1.00 0.00 H +HETATM 1988 H4 UFX A 166 29.308 2.409 23.550 1.00 0.00 H +HETATM 1989 H5 UFX A 166 30.510 1.573 24.514 1.00 0.00 H +HETATM 1990 H6 UFX A 166 28.342 0.175 24.148 1.00 0.00 H +HETATM 1991 H7 UFX A 166 27.573 1.410 24.974 1.00 0.00 H +HETATM 1992 H8 UFX A 166 29.978 0.229 26.081 1.00 0.00 H +HETATM 1993 C1 UFX A 167 5.967 0.316 17.293 1.00 0.00 C +HETATM 1994 C2 UFX A 167 5.845 -0.693 18.498 1.00 0.00 C +HETATM 1995 C3 UFX A 167 7.144 -1.561 18.589 1.00 0.00 C +HETATM 1996 O1 UFX A 167 6.966 -2.561 19.620 1.00 0.00 O +HETATM 1997 H1 UFX A 167 5.742 -0.182 16.350 1.00 0.00 H +HETATM 1998 H2 UFX A 167 5.243 1.115 17.454 1.00 0.00 H +HETATM 1999 H3 UFX A 167 7.001 0.657 17.242 1.00 0.00 H +HETATM 2000 H4 UFX A 167 5.833 -0.073 19.394 1.00 0.00 H +HETATM 2001 H5 UFX A 167 4.923 -1.264 18.390 1.00 0.00 H +HETATM 2002 H6 UFX A 167 8.092 -1.029 18.665 1.00 0.00 H +HETATM 2003 H7 UFX A 167 7.250 -2.150 17.678 1.00 0.00 H +HETATM 2004 H8 UFX A 167 6.088 -2.997 19.588 1.00 0.00 H +HETATM 2005 C1 UFX A 168 11.686 -1.688 18.871 1.00 0.00 C +HETATM 2006 C2 UFX A 168 12.196 -2.704 17.793 1.00 0.00 C +HETATM 2007 C3 UFX A 168 11.009 -3.581 17.295 1.00 0.00 C +HETATM 2008 O1 UFX A 168 11.466 -4.442 16.244 1.00 0.00 O +HETATM 2009 H1 UFX A 168 11.057 -0.955 18.366 1.00 0.00 H +HETATM 2010 H2 UFX A 168 11.180 -2.138 19.726 1.00 0.00 H +HETATM 2011 H3 UFX A 168 12.608 -1.211 19.205 1.00 0.00 H +HETATM 2012 H4 UFX A 168 12.735 -2.185 17.001 1.00 0.00 H +HETATM 2013 H5 UFX A 168 12.916 -3.341 18.307 1.00 0.00 H +HETATM 2014 H6 UFX A 168 10.199 -2.938 16.952 1.00 0.00 H +HETATM 2015 H7 UFX A 168 10.670 -4.077 18.205 1.00 0.00 H +HETATM 2016 H8 UFX A 168 10.672 -4.711 15.733 1.00 0.00 H +HETATM 2017 C1 UFX A 169 13.025 30.059 8.224 1.00 0.00 C +HETATM 2018 C2 UFX A 169 14.281 29.153 8.175 1.00 0.00 C +HETATM 2019 C3 UFX A 169 13.925 27.729 8.473 1.00 0.00 C +HETATM 2020 O1 UFX A 169 13.448 27.578 9.768 1.00 0.00 O +HETATM 2021 H1 UFX A 169 12.345 29.503 7.578 1.00 0.00 H +HETATM 2022 H2 UFX A 169 12.637 30.117 9.241 1.00 0.00 H +HETATM 2023 H3 UFX A 169 13.416 31.035 7.936 1.00 0.00 H +HETATM 2024 H4 UFX A 169 14.836 29.231 7.240 1.00 0.00 H +HETATM 2025 H5 UFX A 169 14.995 29.563 8.890 1.00 0.00 H +HETATM 2026 H6 UFX A 169 14.873 27.191 8.458 1.00 0.00 H +HETATM 2027 H7 UFX A 169 13.229 27.329 7.735 1.00 0.00 H +HETATM 2028 H8 UFX A 169 12.536 27.918 9.892 1.00 0.00 H +HETATM 2029 C1 UFX A 170 1.458 7.055 13.305 1.00 0.00 C +HETATM 2030 C2 UFX A 170 1.612 8.490 13.863 1.00 0.00 C +HETATM 2031 C3 UFX A 170 0.287 9.117 14.222 1.00 0.00 C +HETATM 2032 O1 UFX A 170 0.512 10.412 14.701 1.00 0.00 O +HETATM 2033 H1 UFX A 170 0.819 6.449 13.948 1.00 0.00 H +HETATM 2034 H2 UFX A 170 1.035 7.112 12.303 1.00 0.00 H +HETATM 2035 H3 UFX A 170 2.400 6.507 13.266 1.00 0.00 H +HETATM 2036 H4 UFX A 170 2.222 8.467 14.765 1.00 0.00 H +HETATM 2037 H5 UFX A 170 2.050 9.096 13.070 1.00 0.00 H +HETATM 2038 H6 UFX A 170 -0.166 8.462 14.965 1.00 0.00 H +HETATM 2039 H7 UFX A 170 -0.386 9.046 13.367 1.00 0.00 H +HETATM 2040 H8 UFX A 170 0.779 10.988 13.954 1.00 0.00 H +HETATM 2041 C1 UFX A 171 -1.778 14.892 4.616 1.00 0.00 C +HETATM 2042 C2 UFX A 171 -2.705 16.124 4.801 1.00 0.00 C +HETATM 2043 C3 UFX A 171 -1.885 17.331 5.230 1.00 0.00 C +HETATM 2044 O1 UFX A 171 -2.589 18.633 5.341 1.00 0.00 O +HETATM 2045 H1 UFX A 171 -2.306 14.058 4.152 1.00 0.00 H +HETATM 2046 H2 UFX A 171 -1.050 15.276 3.902 1.00 0.00 H +HETATM 2047 H3 UFX A 171 -1.314 14.554 5.543 1.00 0.00 H +HETATM 2048 H4 UFX A 171 -3.169 16.331 3.836 1.00 0.00 H +HETATM 2049 H5 UFX A 171 -3.499 15.989 5.536 1.00 0.00 H +HETATM 2050 H6 UFX A 171 -1.163 17.513 4.433 1.00 0.00 H +HETATM 2051 H7 UFX A 171 -1.285 17.092 6.108 1.00 0.00 H +HETATM 2052 H8 UFX A 171 -3.207 18.613 6.104 1.00 0.00 H +HETATM 2053 C1 UFX A 172 14.882 22.077 15.566 1.00 0.00 C +HETATM 2054 C2 UFX A 172 15.405 20.640 15.650 1.00 0.00 C +HETATM 2055 C3 UFX A 172 16.289 20.341 16.879 1.00 0.00 C +HETATM 2056 O1 UFX A 172 16.586 18.910 16.907 1.00 0.00 O +HETATM 2057 H1 UFX A 172 14.102 22.247 16.308 1.00 0.00 H +HETATM 2058 H2 UFX A 172 15.666 22.831 15.637 1.00 0.00 H +HETATM 2059 H3 UFX A 172 14.516 22.365 14.580 1.00 0.00 H +HETATM 2060 H4 UFX A 172 14.570 19.945 15.551 1.00 0.00 H +HETATM 2061 H5 UFX A 172 16.044 20.487 14.781 1.00 0.00 H +HETATM 2062 H6 UFX A 172 15.729 20.576 17.785 1.00 0.00 H +HETATM 2063 H7 UFX A 172 17.206 20.930 16.891 1.00 0.00 H +HETATM 2064 H8 UFX A 172 17.168 18.569 17.620 1.00 0.00 H +HETATM 2065 C1 UFX A 173 6.708 0.533 26.794 1.00 0.00 C +HETATM 2066 C2 UFX A 173 7.145 1.956 27.318 1.00 0.00 C +HETATM 2067 C3 UFX A 173 7.625 1.871 28.728 1.00 0.00 C +HETATM 2068 O1 UFX A 173 8.604 0.760 29.019 1.00 0.00 O +HETATM 2069 H1 UFX A 173 5.811 0.171 27.295 1.00 0.00 H +HETATM 2070 H2 UFX A 173 6.533 0.531 25.718 1.00 0.00 H +HETATM 2071 H3 UFX A 173 7.414 -0.281 26.962 1.00 0.00 H +HETATM 2072 H4 UFX A 173 7.991 2.342 26.749 1.00 0.00 H +HETATM 2073 H5 UFX A 173 6.310 2.631 27.130 1.00 0.00 H +HETATM 2074 H6 UFX A 173 6.769 1.844 29.402 1.00 0.00 H +HETATM 2075 H7 UFX A 173 8.111 2.830 28.907 1.00 0.00 H +HETATM 2076 H8 UFX A 173 9.360 0.759 28.394 1.00 0.00 H +HETATM 2077 C1 UFX A 174 13.705 22.165 26.008 1.00 0.00 C +HETATM 2078 C2 UFX A 174 13.661 23.389 25.053 1.00 0.00 C +HETATM 2079 C3 UFX A 174 13.180 22.909 23.728 1.00 0.00 C +HETATM 2080 O1 UFX A 174 12.973 24.071 22.968 1.00 0.00 O +HETATM 2081 H1 UFX A 174 14.600 21.567 25.838 1.00 0.00 H +HETATM 2082 H2 UFX A 174 13.785 22.482 27.048 1.00 0.00 H +HETATM 2083 H3 UFX A 174 12.811 21.574 25.807 1.00 0.00 H +HETATM 2084 H4 UFX A 174 13.015 24.154 25.484 1.00 0.00 H +HETATM 2085 H5 UFX A 174 14.639 23.834 24.869 1.00 0.00 H +HETATM 2086 H6 UFX A 174 12.174 22.501 23.830 1.00 0.00 H +HETATM 2087 H7 UFX A 174 13.950 22.226 23.369 1.00 0.00 H +HETATM 2088 H8 UFX A 174 12.398 24.720 23.427 1.00 0.00 H +HETATM 2089 C1 UFX A 175 -0.357 27.816 7.025 1.00 0.00 C +HETATM 2090 C2 UFX A 175 0.565 26.597 6.724 1.00 0.00 C +HETATM 2091 C3 UFX A 175 1.218 26.760 5.305 1.00 0.00 C +HETATM 2092 O1 UFX A 175 2.285 27.823 5.427 1.00 0.00 O +HETATM 2093 H1 UFX A 175 -1.044 27.975 6.193 1.00 0.00 H +HETATM 2094 H2 UFX A 175 -0.948 27.667 7.929 1.00 0.00 H +HETATM 2095 H3 UFX A 175 0.273 28.693 7.169 1.00 0.00 H +HETATM 2096 H4 UFX A 175 1.328 26.399 7.477 1.00 0.00 H +HETATM 2097 H5 UFX A 175 -0.072 25.713 6.751 1.00 0.00 H +HETATM 2098 H6 UFX A 175 0.460 27.022 4.567 1.00 0.00 H +HETATM 2099 H7 UFX A 175 1.720 25.877 4.910 1.00 0.00 H +HETATM 2100 H8 UFX A 175 1.880 28.709 5.547 1.00 0.00 H +HETATM 2101 C1 UFX A 176 6.992 2.554 13.919 1.00 0.00 C +HETATM 2102 C2 UFX A 176 6.717 3.877 14.522 1.00 0.00 C +HETATM 2103 C3 UFX A 176 7.326 4.119 15.876 1.00 0.00 C +HETATM 2104 O1 UFX A 176 7.361 5.537 16.181 1.00 0.00 O +HETATM 2105 H1 UFX A 176 6.927 2.477 12.834 1.00 0.00 H +HETATM 2106 H2 UFX A 176 8.051 2.323 14.029 1.00 0.00 H +HETATM 2107 H3 UFX A 176 6.364 1.845 14.458 1.00 0.00 H +HETATM 2108 H4 UFX A 176 7.193 4.634 13.898 1.00 0.00 H +HETATM 2109 H5 UFX A 176 5.656 4.124 14.488 1.00 0.00 H +HETATM 2110 H6 UFX A 176 8.365 3.800 15.962 1.00 0.00 H +HETATM 2111 H7 UFX A 176 6.799 3.518 16.617 1.00 0.00 H +HETATM 2112 H8 UFX A 176 7.747 5.641 17.077 1.00 0.00 H +HETATM 2113 C1 UFX A 177 2.271 12.104 26.172 1.00 0.00 C +HETATM 2114 C2 UFX A 177 1.445 12.878 27.166 1.00 0.00 C +HETATM 2115 C3 UFX A 177 1.055 12.040 28.451 1.00 0.00 C +HETATM 2116 O1 UFX A 177 2.183 11.473 29.075 1.00 0.00 O +HETATM 2117 H1 UFX A 177 2.953 11.424 26.683 1.00 0.00 H +HETATM 2118 H2 UFX A 177 1.593 11.417 25.665 1.00 0.00 H +HETATM 2119 H3 UFX A 177 2.734 12.807 25.480 1.00 0.00 H +HETATM 2120 H4 UFX A 177 2.036 13.754 27.436 1.00 0.00 H +HETATM 2121 H5 UFX A 177 0.607 13.256 26.580 1.00 0.00 H +HETATM 2122 H6 UFX A 177 0.351 11.244 28.206 1.00 0.00 H +HETATM 2123 H7 UFX A 177 0.477 12.623 29.169 1.00 0.00 H +HETATM 2124 H8 UFX A 177 2.369 10.618 28.631 1.00 0.00 H +HETATM 2125 C1 UFX A 178 26.652 24.311 7.671 1.00 0.00 C +HETATM 2126 C2 UFX A 178 26.110 23.001 7.042 1.00 0.00 C +HETATM 2127 C3 UFX A 178 26.942 22.574 5.833 1.00 0.00 C +HETATM 2128 O1 UFX A 178 26.921 23.560 4.759 1.00 0.00 O +HETATM 2129 H1 UFX A 178 25.960 24.700 8.419 1.00 0.00 H +HETATM 2130 H2 UFX A 178 27.569 24.061 8.205 1.00 0.00 H +HETATM 2131 H3 UFX A 178 26.889 25.094 6.951 1.00 0.00 H +HETATM 2132 H4 UFX A 178 26.096 22.169 7.747 1.00 0.00 H +HETATM 2133 H5 UFX A 178 25.062 23.129 6.769 1.00 0.00 H +HETATM 2134 H6 UFX A 178 26.567 21.613 5.480 1.00 0.00 H +HETATM 2135 H7 UFX A 178 27.967 22.278 6.056 1.00 0.00 H +HETATM 2136 H8 UFX A 178 26.042 23.840 4.425 1.00 0.00 H +HETATM 2137 C1 UFX A 179 27.830 16.484 9.740 1.00 0.00 C +HETATM 2138 C2 UFX A 179 26.420 17.028 9.240 1.00 0.00 C +HETATM 2139 C3 UFX A 179 26.394 17.462 7.783 1.00 0.00 C +HETATM 2140 O1 UFX A 179 27.280 18.513 7.714 1.00 0.00 O +HETATM 2141 H1 UFX A 179 28.590 17.256 9.859 1.00 0.00 H +HETATM 2142 H2 UFX A 179 27.651 16.055 10.726 1.00 0.00 H +HETATM 2143 H3 UFX A 179 28.234 15.690 9.113 1.00 0.00 H +HETATM 2144 H4 UFX A 179 25.596 16.320 9.334 1.00 0.00 H +HETATM 2145 H5 UFX A 179 26.172 17.893 9.855 1.00 0.00 H +HETATM 2146 H6 UFX A 179 25.389 17.748 7.471 1.00 0.00 H +HETATM 2147 H7 UFX A 179 26.724 16.668 7.113 1.00 0.00 H +HETATM 2148 H8 UFX A 179 27.026 19.258 8.301 1.00 0.00 H +HETATM 2149 C1 UFX A 180 20.587 -3.797 24.301 1.00 0.00 C +HETATM 2150 C2 UFX A 180 19.133 -3.266 24.530 1.00 0.00 C +HETATM 2151 C3 UFX A 180 18.928 -1.957 23.742 1.00 0.00 C +HETATM 2152 O1 UFX A 180 17.534 -1.670 23.655 1.00 0.00 O +HETATM 2153 H1 UFX A 180 21.380 -3.073 24.490 1.00 0.00 H +HETATM 2154 H2 UFX A 180 20.789 -4.699 24.879 1.00 0.00 H +HETATM 2155 H3 UFX A 180 20.623 -4.033 23.237 1.00 0.00 H +HETATM 2156 H4 UFX A 180 18.395 -3.994 24.193 1.00 0.00 H +HETATM 2157 H5 UFX A 180 18.976 -3.101 25.596 1.00 0.00 H +HETATM 2158 H6 UFX A 180 19.390 -2.022 22.756 1.00 0.00 H +HETATM 2159 H7 UFX A 180 19.314 -1.135 24.345 1.00 0.00 H +HETATM 2160 H8 UFX A 180 17.100 -2.196 22.950 1.00 0.00 H +HETATM 2161 C1 UFX A 181 12.708 15.926 1.539 1.00 0.00 C +HETATM 2162 C2 UFX A 181 13.336 14.509 1.390 1.00 0.00 C +HETATM 2163 C3 UFX A 181 14.938 14.514 1.548 1.00 0.00 C +HETATM 2164 O1 UFX A 181 15.281 14.802 2.928 1.00 0.00 O +HETATM 2165 H1 UFX A 181 12.824 16.291 2.559 1.00 0.00 H +HETATM 2166 H2 UFX A 181 13.223 16.535 0.795 1.00 0.00 H +HETATM 2167 H3 UFX A 181 11.668 15.825 1.227 1.00 0.00 H +HETATM 2168 H4 UFX A 181 12.908 13.926 2.206 1.00 0.00 H +HETATM 2169 H5 UFX A 181 12.984 14.040 0.471 1.00 0.00 H +HETATM 2170 H6 UFX A 181 15.401 15.171 0.811 1.00 0.00 H +HETATM 2171 H7 UFX A 181 15.295 13.526 1.259 1.00 0.00 H +HETATM 2172 H8 UFX A 181 16.227 14.615 3.106 1.00 0.00 H +HETATM 2173 C1 UFX A 182 20.719 26.806 19.174 1.00 0.00 C +HETATM 2174 C2 UFX A 182 20.404 25.352 18.768 1.00 0.00 C +HETATM 2175 C3 UFX A 182 19.693 24.517 19.897 1.00 0.00 C +HETATM 2176 O1 UFX A 182 20.449 24.479 21.077 1.00 0.00 O +HETATM 2177 H1 UFX A 182 21.405 27.174 18.410 1.00 0.00 H +HETATM 2178 H2 UFX A 182 19.847 27.459 19.175 1.00 0.00 H +HETATM 2179 H3 UFX A 182 21.256 26.857 20.121 1.00 0.00 H +HETATM 2180 H4 UFX A 182 19.823 25.324 17.845 1.00 0.00 H +HETATM 2181 H5 UFX A 182 21.333 24.799 18.629 1.00 0.00 H +HETATM 2182 H6 UFX A 182 19.529 23.541 19.440 1.00 0.00 H +HETATM 2183 H7 UFX A 182 18.713 24.903 20.178 1.00 0.00 H +HETATM 2184 H8 UFX A 182 20.009 24.002 21.812 1.00 0.00 H +HETATM 2185 C1 UFX A 183 16.873 26.612 17.629 1.00 0.00 C +HETATM 2186 C2 UFX A 183 16.296 25.869 16.482 1.00 0.00 C +HETATM 2187 C3 UFX A 183 14.783 26.014 16.373 1.00 0.00 C +HETATM 2188 O1 UFX A 183 14.327 27.358 16.337 1.00 0.00 O +HETATM 2189 H1 UFX A 183 17.908 26.313 17.795 1.00 0.00 H +HETATM 2190 H2 UFX A 183 16.953 27.685 17.452 1.00 0.00 H +HETATM 2191 H3 UFX A 183 16.290 26.549 18.548 1.00 0.00 H +HETATM 2192 H4 UFX A 183 16.842 26.161 15.584 1.00 0.00 H +HETATM 2193 H5 UFX A 183 16.417 24.788 16.555 1.00 0.00 H +HETATM 2194 H6 UFX A 183 14.230 25.455 17.128 1.00 0.00 H +HETATM 2195 H7 UFX A 183 14.471 25.517 15.454 1.00 0.00 H +HETATM 2196 H8 UFX A 183 13.365 27.378 16.143 1.00 0.00 H +HETATM 2197 C1 UFX A 184 18.579 15.942 7.132 1.00 0.00 C +HETATM 2198 C2 UFX A 184 19.500 16.965 6.547 1.00 0.00 C +HETATM 2199 C3 UFX A 184 18.925 17.493 5.213 1.00 0.00 C +HETATM 2200 O1 UFX A 184 19.489 16.702 4.230 1.00 0.00 O +HETATM 2201 H1 UFX A 184 18.545 15.042 6.517 1.00 0.00 H +HETATM 2202 H2 UFX A 184 18.938 15.582 8.096 1.00 0.00 H +HETATM 2203 H3 UFX A 184 17.568 16.283 7.354 1.00 0.00 H +HETATM 2204 H4 UFX A 184 19.577 17.789 7.257 1.00 0.00 H +HETATM 2205 H5 UFX A 184 20.529 16.625 6.429 1.00 0.00 H +HETATM 2206 H6 UFX A 184 19.200 18.535 5.049 1.00 0.00 H +HETATM 2207 H7 UFX A 184 17.840 17.473 5.113 1.00 0.00 H +HETATM 2208 H8 UFX A 184 19.353 17.124 3.355 1.00 0.00 H +HETATM 2209 C1 UFX A 185 -3.483 9.939 17.421 1.00 0.00 C +HETATM 2210 C2 UFX A 185 -4.239 10.972 16.675 1.00 0.00 C +HETATM 2211 C3 UFX A 185 -3.263 11.990 16.065 1.00 0.00 C +HETATM 2212 O1 UFX A 185 -4.051 13.033 15.498 1.00 0.00 O +HETATM 2213 H1 UFX A 185 -2.792 10.458 18.086 1.00 0.00 H +HETATM 2214 H2 UFX A 185 -4.138 9.309 18.023 1.00 0.00 H +HETATM 2215 H3 UFX A 185 -2.921 9.256 16.783 1.00 0.00 H +HETATM 2216 H4 UFX A 185 -4.870 10.592 15.871 1.00 0.00 H +HETATM 2217 H5 UFX A 185 -4.801 11.563 17.398 1.00 0.00 H +HETATM 2218 H6 UFX A 185 -2.560 11.580 15.340 1.00 0.00 H +HETATM 2219 H7 UFX A 185 -2.719 12.448 16.892 1.00 0.00 H +HETATM 2220 H8 UFX A 185 -3.465 13.805 15.342 1.00 0.00 H +HETATM 2221 C1 UFX A 186 24.750 32.247 26.989 1.00 0.00 C +HETATM 2222 C2 UFX A 186 23.873 31.551 25.878 1.00 0.00 C +HETATM 2223 C3 UFX A 186 22.632 30.918 26.486 1.00 0.00 C +HETATM 2224 O1 UFX A 186 22.969 29.828 27.395 1.00 0.00 O +HETATM 2225 H1 UFX A 186 25.704 32.582 26.582 1.00 0.00 H +HETATM 2226 H2 UFX A 186 24.192 33.094 27.389 1.00 0.00 H +HETATM 2227 H3 UFX A 186 24.828 31.503 27.782 1.00 0.00 H +HETATM 2228 H4 UFX A 186 23.575 32.248 25.094 1.00 0.00 H +HETATM 2229 H5 UFX A 186 24.499 30.758 25.469 1.00 0.00 H +HETATM 2230 H6 UFX A 186 22.027 30.478 25.693 1.00 0.00 H +HETATM 2231 H7 UFX A 186 22.021 31.712 26.915 1.00 0.00 H +HETATM 2232 H8 UFX A 186 22.232 29.486 27.944 1.00 0.00 H +HETATM 2233 C1 UFX A 187 6.209 4.344 10.414 1.00 0.00 C +HETATM 2234 C2 UFX A 187 6.962 5.475 11.114 1.00 0.00 C +HETATM 2235 C3 UFX A 187 6.831 6.846 10.492 1.00 0.00 C +HETATM 2236 O1 UFX A 187 7.706 7.734 11.315 1.00 0.00 O +HETATM 2237 H1 UFX A 187 6.465 3.344 10.764 1.00 0.00 H +HETATM 2238 H2 UFX A 187 5.137 4.530 10.475 1.00 0.00 H +HETATM 2239 H3 UFX A 187 6.477 4.275 9.359 1.00 0.00 H +HETATM 2240 H4 UFX A 187 6.510 5.571 12.101 1.00 0.00 H +HETATM 2241 H5 UFX A 187 8.017 5.215 11.207 1.00 0.00 H +HETATM 2242 H6 UFX A 187 5.820 7.227 10.639 1.00 0.00 H +HETATM 2243 H7 UFX A 187 7.146 6.893 9.450 1.00 0.00 H +HETATM 2244 H8 UFX A 187 7.540 7.581 12.269 1.00 0.00 H +HETATM 2245 C1 UFX A 188 -5.425 20.413 1.764 1.00 0.00 C +HETATM 2246 C2 UFX A 188 -4.115 20.339 2.606 1.00 0.00 C +HETATM 2247 C3 UFX A 188 -3.205 19.228 2.064 1.00 0.00 C +HETATM 2248 O1 UFX A 188 -1.974 19.381 2.793 1.00 0.00 O +HETATM 2249 H1 UFX A 188 -6.128 21.208 2.017 1.00 0.00 H +HETATM 2250 H2 UFX A 188 -5.077 20.546 0.740 1.00 0.00 H +HETATM 2251 H3 UFX A 188 -5.884 19.427 1.835 1.00 0.00 H +HETATM 2252 H4 UFX A 188 -3.547 21.268 2.537 1.00 0.00 H +HETATM 2253 H5 UFX A 188 -4.332 20.048 3.634 1.00 0.00 H +HETATM 2254 H6 UFX A 188 -3.003 19.482 1.023 1.00 0.00 H +HETATM 2255 H7 UFX A 188 -3.550 18.199 2.173 1.00 0.00 H +HETATM 2256 H8 UFX A 188 -2.007 19.015 3.703 1.00 0.00 H +HETATM 2257 C1 UFX A 189 10.862 13.056 24.614 1.00 0.00 C +HETATM 2258 C2 UFX A 189 9.567 12.588 23.994 1.00 0.00 C +HETATM 2259 C3 UFX A 189 9.145 13.266 22.686 1.00 0.00 C +HETATM 2260 O1 UFX A 189 8.144 12.454 22.138 1.00 0.00 O +HETATM 2261 H1 UFX A 189 10.996 12.513 25.550 1.00 0.00 H +HETATM 2262 H2 UFX A 189 11.636 12.861 23.871 1.00 0.00 H +HETATM 2263 H3 UFX A 189 10.803 14.110 24.887 1.00 0.00 H +HETATM 2264 H4 UFX A 189 9.798 11.559 23.718 1.00 0.00 H +HETATM 2265 H5 UFX A 189 8.799 12.634 24.766 1.00 0.00 H +HETATM 2266 H6 UFX A 189 9.942 13.297 21.943 1.00 0.00 H +HETATM 2267 H7 UFX A 189 8.737 14.268 22.818 1.00 0.00 H +HETATM 2268 H8 UFX A 189 7.376 12.302 22.729 1.00 0.00 H +HETATM 2269 C1 UFX A 190 23.618 7.407 15.741 1.00 0.00 C +HETATM 2270 C2 UFX A 190 22.110 7.273 15.944 1.00 0.00 C +HETATM 2271 C3 UFX A 190 21.358 8.321 15.078 1.00 0.00 C +HETATM 2272 O1 UFX A 190 21.632 9.623 15.415 1.00 0.00 O +HETATM 2273 H1 UFX A 190 23.968 8.395 16.038 1.00 0.00 H +HETATM 2274 H2 UFX A 190 24.102 6.690 16.404 1.00 0.00 H +HETATM 2275 H3 UFX A 190 23.862 7.287 14.685 1.00 0.00 H +HETATM 2276 H4 UFX A 190 21.715 6.316 15.603 1.00 0.00 H +HETATM 2277 H5 UFX A 190 21.872 7.312 17.007 1.00 0.00 H +HETATM 2278 H6 UFX A 190 20.293 8.149 15.234 1.00 0.00 H +HETATM 2279 H7 UFX A 190 21.618 8.085 14.045 1.00 0.00 H +HETATM 2280 H8 UFX A 190 21.312 9.792 16.327 1.00 0.00 H +HETATM 2281 C1 UFX A 191 -0.277 23.083 4.255 1.00 0.00 C +HETATM 2282 C2 UFX A 191 -0.713 24.430 3.438 1.00 0.00 C +HETATM 2283 C3 UFX A 191 -1.907 24.193 2.411 1.00 0.00 C +HETATM 2284 O1 UFX A 191 -2.313 25.458 1.989 1.00 0.00 O +HETATM 2285 H1 UFX A 191 -1.081 22.788 4.930 1.00 0.00 H +HETATM 2286 H2 UFX A 191 -0.170 22.247 3.563 1.00 0.00 H +HETATM 2287 H3 UFX A 191 0.616 23.232 4.862 1.00 0.00 H +HETATM 2288 H4 UFX A 191 -1.086 25.166 4.151 1.00 0.00 H +HETATM 2289 H5 UFX A 191 0.147 24.776 2.864 1.00 0.00 H +HETATM 2290 H6 UFX A 191 -2.779 23.738 2.882 1.00 0.00 H +HETATM 2291 H7 UFX A 191 -1.564 23.469 1.671 1.00 0.00 H +HETATM 2292 H8 UFX A 191 -2.578 26.039 2.734 1.00 0.00 H +HETATM 2293 C1 UFX A 192 25.457 12.706 10.935 1.00 0.00 C +HETATM 2294 C2 UFX A 192 25.709 11.213 10.703 1.00 0.00 C +HETATM 2295 C3 UFX A 192 24.512 10.440 9.979 1.00 0.00 C +HETATM 2296 O1 UFX A 192 23.249 10.635 10.540 1.00 0.00 O +HETATM 2297 H1 UFX A 192 24.453 12.848 11.335 1.00 0.00 H +HETATM 2298 H2 UFX A 192 26.189 13.146 11.612 1.00 0.00 H +HETATM 2299 H3 UFX A 192 25.478 13.289 10.013 1.00 0.00 H +HETATM 2300 H4 UFX A 192 26.679 10.942 10.288 1.00 0.00 H +HETATM 2301 H5 UFX A 192 25.710 10.748 11.689 1.00 0.00 H +HETATM 2302 H6 UFX A 192 24.705 9.367 10.004 1.00 0.00 H +HETATM 2303 H7 UFX A 192 24.537 10.824 8.959 1.00 0.00 H +HETATM 2304 H8 UFX A 192 23.320 10.619 11.519 1.00 0.00 H +HETATM 2305 C1 UFX A 193 25.607 18.430 25.429 1.00 0.00 C +HETATM 2306 C2 UFX A 193 25.158 19.608 26.130 1.00 0.00 C +HETATM 2307 C3 UFX A 193 26.291 20.366 26.837 1.00 0.00 C +HETATM 2308 O1 UFX A 193 27.049 19.471 27.574 1.00 0.00 O +HETATM 2309 H1 UFX A 193 26.077 17.719 26.109 1.00 0.00 H +HETATM 2310 H2 UFX A 193 24.729 17.921 25.031 1.00 0.00 H +HETATM 2311 H3 UFX A 193 26.301 18.632 24.613 1.00 0.00 H +HETATM 2312 H4 UFX A 193 24.592 20.230 25.437 1.00 0.00 H +HETATM 2313 H5 UFX A 193 24.398 19.290 26.843 1.00 0.00 H +HETATM 2314 H6 UFX A 193 25.926 21.121 27.532 1.00 0.00 H +HETATM 2315 H7 UFX A 193 27.018 20.804 26.152 1.00 0.00 H +HETATM 2316 H8 UFX A 193 27.914 19.886 27.782 1.00 0.00 H +HETATM 2317 C1 UFX A 194 6.941 16.076 20.762 1.00 0.00 C +HETATM 2318 C2 UFX A 194 7.595 17.176 21.596 1.00 0.00 C +HETATM 2319 C3 UFX A 194 7.142 18.463 21.038 1.00 0.00 C +HETATM 2320 O1 UFX A 194 7.786 19.519 21.724 1.00 0.00 O +HETATM 2321 H1 UFX A 194 5.874 16.239 20.605 1.00 0.00 H +HETATM 2322 H2 UFX A 194 7.344 16.160 19.753 1.00 0.00 H +HETATM 2323 H3 UFX A 194 7.271 15.077 21.046 1.00 0.00 H +HETATM 2324 H4 UFX A 194 7.295 17.091 22.641 1.00 0.00 H +HETATM 2325 H5 UFX A 194 8.673 17.094 21.450 1.00 0.00 H +HETATM 2326 H6 UFX A 194 6.066 18.494 21.205 1.00 0.00 H +HETATM 2327 H7 UFX A 194 7.282 18.499 19.958 1.00 0.00 H +HETATM 2328 H8 UFX A 194 7.237 20.321 21.593 1.00 0.00 H +HETATM 2329 C1 UFX A 195 -4.316 14.959 20.758 1.00 0.00 C +HETATM 2330 C2 UFX A 195 -5.319 14.574 19.683 1.00 0.00 C +HETATM 2331 C3 UFX A 195 -4.673 14.655 18.347 1.00 0.00 C +HETATM 2332 O1 UFX A 195 -5.586 14.336 17.348 1.00 0.00 O +HETATM 2333 H1 UFX A 195 -4.855 15.147 21.687 1.00 0.00 H +HETATM 2334 H2 UFX A 195 -3.497 14.254 20.901 1.00 0.00 H +HETATM 2335 H3 UFX A 195 -3.970 15.972 20.554 1.00 0.00 H +HETATM 2336 H4 UFX A 195 -5.713 13.561 19.772 1.00 0.00 H +HETATM 2337 H5 UFX A 195 -6.187 15.230 19.743 1.00 0.00 H +HETATM 2338 H6 UFX A 195 -3.925 13.866 18.267 1.00 0.00 H +HETATM 2339 H7 UFX A 195 -4.215 15.641 18.258 1.00 0.00 H +HETATM 2340 H8 UFX A 195 -5.215 13.812 16.607 1.00 0.00 H +HETATM 2341 C1 UFX A 196 5.121 27.196 0.090 1.00 0.00 C +HETATM 2342 C2 UFX A 196 4.033 28.000 0.827 1.00 0.00 C +HETATM 2343 C3 UFX A 196 3.330 27.132 1.796 1.00 0.00 C +HETATM 2344 O1 UFX A 196 2.711 25.935 1.190 1.00 0.00 O +HETATM 2345 H1 UFX A 196 5.469 27.788 -0.756 1.00 0.00 H +HETATM 2346 H2 UFX A 196 5.925 26.980 0.794 1.00 0.00 H +HETATM 2347 H3 UFX A 196 4.833 26.210 -0.274 1.00 0.00 H +HETATM 2348 H4 UFX A 196 4.322 28.954 1.267 1.00 0.00 H +HETATM 2349 H5 UFX A 196 3.366 28.269 0.008 1.00 0.00 H +HETATM 2350 H6 UFX A 196 2.475 27.655 2.225 1.00 0.00 H +HETATM 2351 H7 UFX A 196 4.061 26.865 2.560 1.00 0.00 H +HETATM 2352 H8 UFX A 196 2.078 26.223 0.498 1.00 0.00 H +HETATM 2353 C1 UFX A 197 10.915 2.059 16.992 1.00 0.00 C +HETATM 2354 C2 UFX A 197 10.160 2.326 18.333 1.00 0.00 C +HETATM 2355 C3 UFX A 197 10.948 3.334 19.216 1.00 0.00 C +HETATM 2356 O1 UFX A 197 11.281 4.532 18.448 1.00 0.00 O +HETATM 2357 H1 UFX A 197 10.338 1.389 16.354 1.00 0.00 H +HETATM 2358 H2 UFX A 197 11.102 2.970 16.423 1.00 0.00 H +HETATM 2359 H3 UFX A 197 11.887 1.602 17.177 1.00 0.00 H +HETATM 2360 H4 UFX A 197 9.120 2.603 18.164 1.00 0.00 H +HETATM 2361 H5 UFX A 197 10.066 1.361 18.831 1.00 0.00 H +HETATM 2362 H6 UFX A 197 11.834 2.837 19.610 1.00 0.00 H +HETATM 2363 H7 UFX A 197 10.305 3.597 20.056 1.00 0.00 H +HETATM 2364 H8 UFX A 197 11.930 4.326 17.742 1.00 0.00 H +HETATM 2365 C1 UFX A 198 11.184 31.091 3.037 1.00 0.00 C +HETATM 2366 C2 UFX A 198 12.039 30.330 4.017 1.00 0.00 C +HETATM 2367 C3 UFX A 198 11.792 28.747 3.988 1.00 0.00 C +HETATM 2368 O1 UFX A 198 12.379 28.071 2.893 1.00 0.00 O +HETATM 2369 H1 UFX A 198 10.121 30.875 3.148 1.00 0.00 H +HETATM 2370 H2 UFX A 198 11.225 32.153 3.281 1.00 0.00 H +HETATM 2371 H3 UFX A 198 11.413 30.785 2.016 1.00 0.00 H +HETATM 2372 H4 UFX A 198 13.096 30.497 3.807 1.00 0.00 H +HETATM 2373 H5 UFX A 198 11.933 30.752 5.017 1.00 0.00 H +HETATM 2374 H6 UFX A 198 10.716 28.610 4.095 1.00 0.00 H +HETATM 2375 H7 UFX A 198 12.243 28.381 4.911 1.00 0.00 H +HETATM 2376 H8 UFX A 198 12.133 27.121 2.893 1.00 0.00 H +HETATM 2377 C1 UFX A 199 18.061 21.812 6.075 1.00 0.00 C +HETATM 2378 C2 UFX A 199 16.668 21.715 6.783 1.00 0.00 C +HETATM 2379 C3 UFX A 199 16.080 20.290 6.683 1.00 0.00 C +HETATM 2380 O1 UFX A 199 15.670 19.844 5.350 1.00 0.00 O +HETATM 2381 H1 UFX A 199 18.355 22.862 6.106 1.00 0.00 H +HETATM 2382 H2 UFX A 199 18.806 21.278 6.665 1.00 0.00 H +HETATM 2383 H3 UFX A 199 18.094 21.525 5.024 1.00 0.00 H +HETATM 2384 H4 UFX A 199 16.797 21.972 7.834 1.00 0.00 H +HETATM 2385 H5 UFX A 199 16.049 22.480 6.313 1.00 0.00 H +HETATM 2386 H6 UFX A 199 15.148 20.319 7.248 1.00 0.00 H +HETATM 2387 H7 UFX A 199 16.748 19.520 7.068 1.00 0.00 H +HETATM 2388 H8 UFX A 199 15.419 18.896 5.369 1.00 0.00 H +HETATM 2389 C1 UFX A 200 2.678 9.746 17.660 1.00 0.00 C +HETATM 2390 C2 UFX A 200 2.657 10.323 19.052 1.00 0.00 C +HETATM 2391 C3 UFX A 200 3.255 9.348 20.026 1.00 0.00 C +HETATM 2392 O1 UFX A 200 4.691 9.098 19.816 1.00 0.00 O +HETATM 2393 H1 UFX A 200 2.309 10.516 16.983 1.00 0.00 H +HETATM 2394 H2 UFX A 200 3.629 9.324 17.336 1.00 0.00 H +HETATM 2395 H3 UFX A 200 2.034 8.867 17.657 1.00 0.00 H +HETATM 2396 H4 UFX A 200 3.236 11.247 19.070 1.00 0.00 H +HETATM 2397 H5 UFX A 200 1.626 10.516 19.349 1.00 0.00 H +HETATM 2398 H6 UFX A 200 2.686 8.419 19.988 1.00 0.00 H +HETATM 2399 H7 UFX A 200 3.157 9.786 21.019 1.00 0.00 H +HETATM 2400 H8 UFX A 200 5.228 9.919 19.834 1.00 0.00 H +HETATM 2401 C1 UFX A 201 12.163 21.431 9.095 1.00 0.00 C +HETATM 2402 C2 UFX A 201 13.438 21.240 9.944 1.00 0.00 C +HETATM 2403 C3 UFX A 201 13.761 22.586 10.712 1.00 0.00 C +HETATM 2404 O1 UFX A 201 14.353 23.462 9.855 1.00 0.00 O +HETATM 2405 H1 UFX A 201 11.883 20.527 8.555 1.00 0.00 H +HETATM 2406 H2 UFX A 201 11.460 21.933 9.761 1.00 0.00 H +HETATM 2407 H3 UFX A 201 12.392 22.229 8.388 1.00 0.00 H +HETATM 2408 H4 UFX A 201 13.360 20.377 10.606 1.00 0.00 H +HETATM 2409 H5 UFX A 201 14.269 20.936 9.306 1.00 0.00 H +HETATM 2410 H6 UFX A 201 14.434 22.388 11.546 1.00 0.00 H +HETATM 2411 H7 UFX A 201 12.882 23.129 11.060 1.00 0.00 H +HETATM 2412 H8 UFX A 201 14.627 24.289 10.307 1.00 0.00 H +HETATM 2413 C1 UFX A 202 40.773 26.830 21.952 1.00 0.00 C +HETATM 2414 C2 UFX A 202 40.389 25.758 22.972 1.00 0.00 C +HETATM 2415 C3 UFX A 202 41.502 24.796 23.190 1.00 0.00 C +HETATM 2416 O1 UFX A 202 42.563 25.486 23.824 1.00 0.00 O +HETATM 2417 H1 UFX A 202 40.026 27.623 21.984 1.00 0.00 H +HETATM 2418 H2 UFX A 202 41.670 27.357 22.277 1.00 0.00 H +HETATM 2419 H3 UFX A 202 40.999 26.508 20.935 1.00 0.00 H +HETATM 2420 H4 UFX A 202 40.084 26.201 23.920 1.00 0.00 H +HETATM 2421 H5 UFX A 202 39.638 25.151 22.467 1.00 0.00 H +HETATM 2422 H6 UFX A 202 41.825 24.375 22.237 1.00 0.00 H +HETATM 2423 H7 UFX A 202 41.120 24.016 23.848 1.00 0.00 H +HETATM 2424 H8 UFX A 202 42.180 25.956 24.595 1.00 0.00 H +HETATM 2425 C1 UFX A 203 4.387 -6.230 7.784 1.00 0.00 C +HETATM 2426 C2 UFX A 203 4.841 -5.283 8.875 1.00 0.00 C +HETATM 2427 C3 UFX A 203 5.251 -3.918 8.413 1.00 0.00 C +HETATM 2428 O1 UFX A 203 5.910 -3.250 9.446 1.00 0.00 O +HETATM 2429 H1 UFX A 203 4.169 -7.211 8.205 1.00 0.00 H +HETATM 2430 H2 UFX A 203 3.492 -5.823 7.313 1.00 0.00 H +HETATM 2431 H3 UFX A 203 5.212 -6.392 7.091 1.00 0.00 H +HETATM 2432 H4 UFX A 203 4.023 -5.082 9.567 1.00 0.00 H +HETATM 2433 H5 UFX A 203 5.705 -5.663 9.422 1.00 0.00 H +HETATM 2434 H6 UFX A 203 4.330 -3.400 8.145 1.00 0.00 H +HETATM 2435 H7 UFX A 203 5.844 -3.941 7.499 1.00 0.00 H +HETATM 2436 H8 UFX A 203 5.282 -3.030 10.167 1.00 0.00 H +HETATM 2437 C1 UFX A 204 6.427 10.814 10.078 1.00 0.00 C +HETATM 2438 C2 UFX A 204 6.596 12.072 9.129 1.00 0.00 C +HETATM 2439 C3 UFX A 204 7.993 12.143 8.483 1.00 0.00 C +HETATM 2440 O1 UFX A 204 8.903 12.460 9.538 1.00 0.00 O +HETATM 2441 H1 UFX A 204 5.359 10.607 10.155 1.00 0.00 H +HETATM 2442 H2 UFX A 204 6.774 9.910 9.578 1.00 0.00 H +HETATM 2443 H3 UFX A 204 6.875 10.816 11.071 1.00 0.00 H +HETATM 2444 H4 UFX A 204 5.943 11.965 8.263 1.00 0.00 H +HETATM 2445 H5 UFX A 204 6.406 13.078 9.506 1.00 0.00 H +HETATM 2446 H6 UFX A 204 8.063 12.912 7.713 1.00 0.00 H +HETATM 2447 H7 UFX A 204 8.189 11.203 7.967 1.00 0.00 H +HETATM 2448 H8 UFX A 204 9.825 12.517 9.209 1.00 0.00 H +HETATM 2449 C1 UFX A 205 13.871 16.201 10.117 1.00 0.00 C +HETATM 2450 C2 UFX A 205 12.401 16.501 10.239 1.00 0.00 C +HETATM 2451 C3 UFX A 205 11.639 15.686 11.209 1.00 0.00 C +HETATM 2452 O1 UFX A 205 11.659 14.315 10.845 1.00 0.00 O +HETATM 2453 H1 UFX A 205 14.418 16.928 9.517 1.00 0.00 H +HETATM 2454 H2 UFX A 205 14.316 16.220 11.112 1.00 0.00 H +HETATM 2455 H3 UFX A 205 13.901 15.183 9.727 1.00 0.00 H +HETATM 2456 H4 UFX A 205 12.326 17.525 10.605 1.00 0.00 H +HETATM 2457 H5 UFX A 205 11.998 16.420 9.229 1.00 0.00 H +HETATM 2458 H6 UFX A 205 10.582 15.950 11.236 1.00 0.00 H +HETATM 2459 H7 UFX A 205 12.021 15.801 12.224 1.00 0.00 H +HETATM 2460 H8 UFX A 205 11.416 13.690 11.561 1.00 0.00 H +HETATM 2461 C1 UFX A 206 6.043 15.298 30.557 1.00 0.00 C +HETATM 2462 C2 UFX A 206 4.520 15.479 30.277 1.00 0.00 C +HETATM 2463 C3 UFX A 206 3.715 14.247 30.372 1.00 0.00 C +HETATM 2464 O1 UFX A 206 3.989 13.423 29.251 1.00 0.00 O +HETATM 2465 H1 UFX A 206 6.187 14.849 31.540 1.00 0.00 H +HETATM 2466 H2 UFX A 206 6.459 14.611 29.821 1.00 0.00 H +HETATM 2467 H3 UFX A 206 6.547 16.264 30.518 1.00 0.00 H +HETATM 2468 H4 UFX A 206 4.181 16.199 31.022 1.00 0.00 H +HETATM 2469 H5 UFX A 206 4.331 15.860 29.274 1.00 0.00 H +HETATM 2470 H6 UFX A 206 2.670 14.559 30.367 1.00 0.00 H +HETATM 2471 H7 UFX A 206 3.955 13.754 31.315 1.00 0.00 H +HETATM 2472 H8 UFX A 206 3.456 12.599 29.267 1.00 0.00 H +HETATM 2473 C1 UFX A 207 5.878 17.880 25.711 1.00 0.00 C +HETATM 2474 C2 UFX A 207 6.632 16.546 25.702 1.00 0.00 C +HETATM 2475 C3 UFX A 207 6.216 15.595 26.818 1.00 0.00 C +HETATM 2476 O1 UFX A 207 4.761 15.273 26.678 1.00 0.00 O +HETATM 2477 H1 UFX A 207 6.154 18.379 24.782 1.00 0.00 H +HETATM 2478 H2 UFX A 207 4.797 17.782 25.612 1.00 0.00 H +HETATM 2479 H3 UFX A 207 6.248 18.542 26.494 1.00 0.00 H +HETATM 2480 H4 UFX A 207 6.490 16.041 24.747 1.00 0.00 H +HETATM 2481 H5 UFX A 207 7.688 16.707 25.922 1.00 0.00 H +HETATM 2482 H6 UFX A 207 6.427 16.084 27.769 1.00 0.00 H +HETATM 2483 H7 UFX A 207 6.780 14.665 26.740 1.00 0.00 H +HETATM 2484 H8 UFX A 207 4.431 14.866 27.508 1.00 0.00 H +HETATM 2485 C1 UFX A 208 1.931 18.851 5.744 1.00 0.00 C +HETATM 2486 C2 UFX A 208 3.396 18.723 5.404 1.00 0.00 C +HETATM 2487 C3 UFX A 208 4.396 19.325 6.419 1.00 0.00 C +HETATM 2488 O1 UFX A 208 4.139 20.726 6.344 1.00 0.00 O +HETATM 2489 H1 UFX A 208 1.805 18.442 6.747 1.00 0.00 H +HETATM 2490 H2 UFX A 208 1.596 19.884 5.645 1.00 0.00 H +HETATM 2491 H3 UFX A 208 1.442 18.226 4.997 1.00 0.00 H +HETATM 2492 H4 UFX A 208 3.619 17.666 5.259 1.00 0.00 H +HETATM 2493 H5 UFX A 208 3.560 19.140 4.410 1.00 0.00 H +HETATM 2494 H6 UFX A 208 5.431 19.176 6.113 1.00 0.00 H +HETATM 2495 H7 UFX A 208 4.106 18.847 7.354 1.00 0.00 H +HETATM 2496 H8 UFX A 208 4.292 21.084 5.443 1.00 0.00 H +HETATM 2497 C1 UFX A 209 12.582 32.939 10.951 1.00 0.00 C +HETATM 2498 C2 UFX A 209 11.821 34.292 11.273 1.00 0.00 C +HETATM 2499 C3 UFX A 209 10.330 34.327 11.120 1.00 0.00 C +HETATM 2500 O1 UFX A 209 9.962 34.041 9.713 1.00 0.00 O +HETATM 2501 H1 UFX A 209 12.258 32.136 11.613 1.00 0.00 H +HETATM 2502 H2 UFX A 209 12.365 32.663 9.918 1.00 0.00 H +HETATM 2503 H3 UFX A 209 13.657 33.036 11.104 1.00 0.00 H +HETATM 2504 H4 UFX A 209 12.103 34.680 12.252 1.00 0.00 H +HETATM 2505 H5 UFX A 209 12.242 34.995 10.553 1.00 0.00 H +HETATM 2506 H6 UFX A 209 10.007 35.346 11.334 1.00 0.00 H +HETATM 2507 H7 UFX A 209 9.946 33.636 11.870 1.00 0.00 H +HETATM 2508 H8 UFX A 209 10.129 34.809 9.126 1.00 0.00 H +HETATM 2509 C1 UFX A 210 22.113 21.944 23.023 1.00 0.00 C +HETATM 2510 C2 UFX A 210 23.343 21.534 22.213 1.00 0.00 C +HETATM 2511 C3 UFX A 210 23.047 21.625 20.764 1.00 0.00 C +HETATM 2512 O1 UFX A 210 22.948 22.993 20.337 1.00 0.00 O +HETATM 2513 H1 UFX A 210 21.848 22.932 22.645 1.00 0.00 H +HETATM 2514 H2 UFX A 210 21.284 21.279 22.779 1.00 0.00 H +HETATM 2515 H3 UFX A 210 22.321 21.939 24.093 1.00 0.00 H +HETATM 2516 H4 UFX A 210 24.153 22.193 22.527 1.00 0.00 H +HETATM 2517 H5 UFX A 210 23.636 20.510 22.443 1.00 0.00 H +HETATM 2518 H6 UFX A 210 22.127 21.072 20.574 1.00 0.00 H +HETATM 2519 H7 UFX A 210 23.767 21.039 20.193 1.00 0.00 H +HETATM 2520 H8 UFX A 210 22.186 23.430 20.775 1.00 0.00 H +HETATM 2521 C1 UFX A 211 0.254 -0.187 11.347 1.00 0.00 C +HETATM 2522 C2 UFX A 211 -0.565 -1.332 10.669 1.00 0.00 C +HETATM 2523 C3 UFX A 211 0.222 -2.585 10.507 1.00 0.00 C +HETATM 2524 O1 UFX A 211 1.309 -2.539 9.652 1.00 0.00 O +HETATM 2525 H1 UFX A 211 0.975 -0.588 12.060 1.00 0.00 H +HETATM 2526 H2 UFX A 211 0.764 0.391 10.576 1.00 0.00 H +HETATM 2527 H3 UFX A 211 -0.393 0.575 11.781 1.00 0.00 H +HETATM 2528 H4 UFX A 211 -1.383 -1.643 11.318 1.00 0.00 H +HETATM 2529 H5 UFX A 211 -0.878 -0.995 9.681 1.00 0.00 H +HETATM 2530 H6 UFX A 211 -0.451 -3.404 10.254 1.00 0.00 H +HETATM 2531 H7 UFX A 211 0.486 -2.972 11.492 1.00 0.00 H +HETATM 2532 H8 UFX A 211 1.078 -2.400 8.709 1.00 0.00 H +HETATM 2533 C1 UFX A 212 21.537 20.097 2.457 1.00 0.00 C +HETATM 2534 C2 UFX A 212 21.004 21.140 1.446 1.00 0.00 C +HETATM 2535 C3 UFX A 212 19.571 20.820 1.088 1.00 0.00 C +HETATM 2536 O1 UFX A 212 19.399 19.832 0.068 1.00 0.00 O +HETATM 2537 H1 UFX A 212 21.074 20.116 3.443 1.00 0.00 H +HETATM 2538 H2 UFX A 212 21.543 19.150 1.917 1.00 0.00 H +HETATM 2539 H3 UFX A 212 22.588 20.288 2.674 1.00 0.00 H +HETATM 2540 H4 UFX A 212 21.042 22.152 1.850 1.00 0.00 H +HETATM 2541 H5 UFX A 212 21.611 21.136 0.541 1.00 0.00 H +HETATM 2542 H6 UFX A 212 19.071 21.750 0.817 1.00 0.00 H +HETATM 2543 H7 UFX A 212 19.005 20.544 1.978 1.00 0.00 H +HETATM 2544 H8 UFX A 212 20.051 19.927 -0.658 1.00 0.00 H +HETATM 2545 C1 UFX A 213 14.120 30.964 0.593 1.00 0.00 C +HETATM 2546 C2 UFX A 213 15.244 29.935 0.662 1.00 0.00 C +HETATM 2547 C3 UFX A 213 14.864 28.669 -0.192 1.00 0.00 C +HETATM 2548 O1 UFX A 213 13.663 28.084 0.378 1.00 0.00 O +HETATM 2549 H1 UFX A 213 13.139 30.506 0.726 1.00 0.00 H +HETATM 2550 H2 UFX A 213 14.251 31.789 1.293 1.00 0.00 H +HETATM 2551 H3 UFX A 213 14.112 31.323 -0.437 1.00 0.00 H +HETATM 2552 H4 UFX A 213 16.173 30.382 0.307 1.00 0.00 H +HETATM 2553 H5 UFX A 213 15.330 29.678 1.718 1.00 0.00 H +HETATM 2554 H6 UFX A 213 15.696 27.983 -0.032 1.00 0.00 H +HETATM 2555 H7 UFX A 213 14.762 28.832 -1.264 1.00 0.00 H +HETATM 2556 H8 UFX A 213 13.652 28.132 1.357 1.00 0.00 H +HETATM 2557 C1 UFX A 214 27.900 26.563 26.805 1.00 0.00 C +HETATM 2558 C2 UFX A 214 27.629 27.381 28.021 1.00 0.00 C +HETATM 2559 C3 UFX A 214 26.817 28.697 27.602 1.00 0.00 C +HETATM 2560 O1 UFX A 214 25.547 28.448 27.020 1.00 0.00 O +HETATM 2561 H1 UFX A 214 28.570 25.730 27.017 1.00 0.00 H +HETATM 2562 H2 UFX A 214 26.999 26.179 26.328 1.00 0.00 H +HETATM 2563 H3 UFX A 214 28.343 27.275 26.109 1.00 0.00 H +HETATM 2564 H4 UFX A 214 27.141 26.743 28.760 1.00 0.00 H +HETATM 2565 H5 UFX A 214 28.570 27.796 28.381 1.00 0.00 H +HETATM 2566 H6 UFX A 214 27.446 29.280 26.928 1.00 0.00 H +HETATM 2567 H7 UFX A 214 26.604 29.288 28.493 1.00 0.00 H +HETATM 2568 H8 UFX A 214 25.086 29.278 26.773 1.00 0.00 H +HETATM 2569 C1 UFX A 215 27.139 13.633 1.701 1.00 0.00 C +HETATM 2570 C2 UFX A 215 26.836 14.980 0.931 1.00 0.00 C +HETATM 2571 C3 UFX A 215 26.601 14.664 -0.556 1.00 0.00 C +HETATM 2572 O1 UFX A 215 27.777 14.033 -1.037 1.00 0.00 O +HETATM 2573 H1 UFX A 215 28.174 13.361 1.492 1.00 0.00 H +HETATM 2574 H2 UFX A 215 27.179 13.870 2.764 1.00 0.00 H +HETATM 2575 H3 UFX A 215 26.386 12.868 1.509 1.00 0.00 H +HETATM 2576 H4 UFX A 215 25.949 15.431 1.376 1.00 0.00 H +HETATM 2577 H5 UFX A 215 27.627 15.724 1.024 1.00 0.00 H +HETATM 2578 H6 UFX A 215 26.421 15.646 -0.993 1.00 0.00 H +HETATM 2579 H7 UFX A 215 25.741 14.008 -0.694 1.00 0.00 H +HETATM 2580 H8 UFX A 215 27.905 13.175 -0.580 1.00 0.00 H +HETATM 2581 C1 UFX A 216 6.089 15.943 13.127 1.00 0.00 C +HETATM 2582 C2 UFX A 216 7.450 15.158 12.941 1.00 0.00 C +HETATM 2583 C3 UFX A 216 7.091 13.828 12.287 1.00 0.00 C +HETATM 2584 O1 UFX A 216 8.221 13.040 12.147 1.00 0.00 O +HETATM 2585 H1 UFX A 216 5.509 16.185 12.236 1.00 0.00 H +HETATM 2586 H2 UFX A 216 5.446 15.485 13.878 1.00 0.00 H +HETATM 2587 H3 UFX A 216 6.383 16.897 13.565 1.00 0.00 H +HETATM 2588 H4 UFX A 216 8.176 15.747 12.382 1.00 0.00 H +HETATM 2589 H5 UFX A 216 7.960 14.959 13.884 1.00 0.00 H +HETATM 2590 H6 UFX A 216 6.665 14.119 11.327 1.00 0.00 H +HETATM 2591 H7 UFX A 216 6.318 13.319 12.863 1.00 0.00 H +HETATM 2592 H8 UFX A 216 8.496 13.005 11.206 1.00 0.00 H +HETATM 2593 C1 UFX A 217 17.588 19.677 27.858 1.00 0.00 C +HETATM 2594 C2 UFX A 217 18.278 18.704 26.813 1.00 0.00 C +HETATM 2595 C3 UFX A 217 17.309 17.570 26.513 1.00 0.00 C +HETATM 2596 O1 UFX A 217 17.715 16.809 25.355 1.00 0.00 O +HETATM 2597 H1 UFX A 217 18.202 20.552 28.072 1.00 0.00 H +HETATM 2598 H2 UFX A 217 16.629 20.012 27.465 1.00 0.00 H +HETATM 2599 H3 UFX A 217 17.415 19.077 28.752 1.00 0.00 H +HETATM 2600 H4 UFX A 217 18.570 19.245 25.913 1.00 0.00 H +HETATM 2601 H5 UFX A 217 19.134 18.279 27.336 1.00 0.00 H +HETATM 2602 H6 UFX A 217 16.357 18.010 26.215 1.00 0.00 H +HETATM 2603 H7 UFX A 217 17.184 16.936 27.391 1.00 0.00 H +HETATM 2604 H8 UFX A 217 18.416 16.160 25.581 1.00 0.00 H +HETATM 2605 C1 UFX A 218 19.501 6.771 20.925 1.00 0.00 C +HETATM 2606 C2 UFX A 218 20.648 7.133 21.838 1.00 0.00 C +HETATM 2607 C3 UFX A 218 21.366 8.421 21.426 1.00 0.00 C +HETATM 2608 O1 UFX A 218 21.808 8.309 20.125 1.00 0.00 O +HETATM 2609 H1 UFX A 218 19.873 6.575 19.919 1.00 0.00 H +HETATM 2610 H2 UFX A 218 18.994 5.897 21.336 1.00 0.00 H +HETATM 2611 H3 UFX A 218 18.826 7.626 20.899 1.00 0.00 H +HETATM 2612 H4 UFX A 218 20.216 7.288 22.826 1.00 0.00 H +HETATM 2613 H5 UFX A 218 21.310 6.272 21.937 1.00 0.00 H +HETATM 2614 H6 UFX A 218 22.162 8.800 22.067 1.00 0.00 H +HETATM 2615 H7 UFX A 218 20.571 9.167 21.446 1.00 0.00 H +HETATM 2616 H8 UFX A 218 22.477 7.591 20.107 1.00 0.00 H +HETATM 2617 C1 UFX A 219 -0.668 18.431 20.805 1.00 0.00 C +HETATM 2618 C2 UFX A 219 0.225 18.539 19.660 1.00 0.00 C +HETATM 2619 C3 UFX A 219 -0.209 19.392 18.547 1.00 0.00 C +HETATM 2620 O1 UFX A 219 0.565 19.195 17.392 1.00 0.00 O +HETATM 2621 H1 UFX A 219 -1.697 18.147 20.582 1.00 0.00 H +HETATM 2622 H2 UFX A 219 -0.351 17.567 21.390 1.00 0.00 H +HETATM 2623 H3 UFX A 219 -0.670 19.375 21.350 1.00 0.00 H +HETATM 2624 H4 UFX A 219 1.217 18.806 20.024 1.00 0.00 H +HETATM 2625 H5 UFX A 219 0.415 17.524 19.312 1.00 0.00 H +HETATM 2626 H6 UFX A 219 -0.126 20.432 18.863 1.00 0.00 H +HETATM 2627 H7 UFX A 219 -1.247 19.212 18.266 1.00 0.00 H +HETATM 2628 H8 UFX A 219 0.436 19.983 16.822 1.00 0.00 H +HETATM 2629 C1 UFX A 220 17.613 23.545 25.943 1.00 0.00 C +HETATM 2630 C2 UFX A 220 18.133 24.660 25.076 1.00 0.00 C +HETATM 2631 C3 UFX A 220 18.217 24.494 23.604 1.00 0.00 C +HETATM 2632 O1 UFX A 220 19.111 23.342 23.264 1.00 0.00 O +HETATM 2633 H1 UFX A 220 16.725 23.152 25.448 1.00 0.00 H +HETATM 2634 H2 UFX A 220 18.267 22.735 26.266 1.00 0.00 H +HETATM 2635 H3 UFX A 220 17.290 23.995 26.882 1.00 0.00 H +HETATM 2636 H4 UFX A 220 17.609 25.585 25.317 1.00 0.00 H +HETATM 2637 H5 UFX A 220 19.179 24.831 25.329 1.00 0.00 H +HETATM 2638 H6 UFX A 220 18.499 25.427 23.116 1.00 0.00 H +HETATM 2639 H7 UFX A 220 17.210 24.251 23.264 1.00 0.00 H +HETATM 2640 H8 UFX A 220 18.854 22.521 23.736 1.00 0.00 H +HETATM 2641 C1 UFX A 221 2.427 8.604 3.375 1.00 0.00 C +HETATM 2642 C2 UFX A 221 2.052 8.293 1.934 1.00 0.00 C +HETATM 2643 C3 UFX A 221 2.857 9.261 0.993 1.00 0.00 C +HETATM 2644 O1 UFX A 221 4.136 8.609 0.615 1.00 0.00 O +HETATM 2645 H1 UFX A 221 2.015 7.904 4.103 1.00 0.00 H +HETATM 2646 H2 UFX A 221 3.492 8.371 3.372 1.00 0.00 H +HETATM 2647 H3 UFX A 221 2.169 9.649 3.548 1.00 0.00 H +HETATM 2648 H4 UFX A 221 2.276 7.233 1.819 1.00 0.00 H +HETATM 2649 H5 UFX A 221 0.976 8.417 1.811 1.00 0.00 H +HETATM 2650 H6 UFX A 221 3.137 10.161 1.539 1.00 0.00 H +HETATM 2651 H7 UFX A 221 2.188 9.456 0.154 1.00 0.00 H +HETATM 2652 H8 UFX A 221 4.852 9.256 0.437 1.00 0.00 H +HETATM 2653 C1 UFX A 222 3.101 18.550 -3.053 1.00 0.00 C +HETATM 2654 C2 UFX A 222 2.141 19.747 -2.795 1.00 0.00 C +HETATM 2655 C3 UFX A 222 0.743 19.544 -3.383 1.00 0.00 C +HETATM 2656 O1 UFX A 222 -0.204 19.961 -2.397 1.00 0.00 O +HETATM 2657 H1 UFX A 222 4.046 18.799 -2.569 1.00 0.00 H +HETATM 2658 H2 UFX A 222 2.638 17.666 -2.614 1.00 0.00 H +HETATM 2659 H3 UFX A 222 3.271 18.468 -4.127 1.00 0.00 H +HETATM 2660 H4 UFX A 222 2.062 19.876 -1.716 1.00 0.00 H +HETATM 2661 H5 UFX A 222 2.574 20.623 -3.278 1.00 0.00 H +HETATM 2662 H6 UFX A 222 0.559 18.476 -3.504 1.00 0.00 H +HETATM 2663 H7 UFX A 222 0.588 20.077 -4.322 1.00 0.00 H +HETATM 2664 H8 UFX A 222 -0.090 19.413 -1.591 1.00 0.00 H +HETATM 2665 C1 UFX A 223 26.729 15.047 27.257 1.00 0.00 C +HETATM 2666 C2 UFX A 223 26.875 14.144 26.029 1.00 0.00 C +HETATM 2667 C3 UFX A 223 28.096 13.274 26.043 1.00 0.00 C +HETATM 2668 O1 UFX A 223 29.276 14.066 26.194 1.00 0.00 O +HETATM 2669 H1 UFX A 223 25.734 15.475 27.136 1.00 0.00 H +HETATM 2670 H2 UFX A 223 26.655 14.421 28.147 1.00 0.00 H +HETATM 2671 H3 UFX A 223 27.476 15.841 27.279 1.00 0.00 H +HETATM 2672 H4 UFX A 223 26.013 13.476 26.020 1.00 0.00 H +HETATM 2673 H5 UFX A 223 26.770 14.748 25.127 1.00 0.00 H +HETATM 2674 H6 UFX A 223 28.289 12.661 25.162 1.00 0.00 H +HETATM 2675 H7 UFX A 223 27.869 12.610 26.877 1.00 0.00 H +HETATM 2676 H8 UFX A 223 29.517 14.316 27.112 1.00 0.00 H +HETATM 2677 C1 UFX A 224 3.689 21.215 18.140 1.00 0.00 C +HETATM 2678 C2 UFX A 224 4.177 22.232 19.183 1.00 0.00 C +HETATM 2679 C3 UFX A 224 5.493 21.895 19.844 1.00 0.00 C +HETATM 2680 O1 UFX A 224 5.257 20.866 20.825 1.00 0.00 O +HETATM 2681 H1 UFX A 224 3.256 20.288 18.518 1.00 0.00 H +HETATM 2682 H2 UFX A 224 3.022 21.597 17.367 1.00 0.00 H +HETATM 2683 H3 UFX A 224 4.573 20.893 17.588 1.00 0.00 H +HETATM 2684 H4 UFX A 224 4.280 23.205 18.702 1.00 0.00 H +HETATM 2685 H5 UFX A 224 3.353 22.296 19.894 1.00 0.00 H +HETATM 2686 H6 UFX A 224 5.919 22.784 20.308 1.00 0.00 H +HETATM 2687 H7 UFX A 224 6.170 21.554 19.061 1.00 0.00 H +HETATM 2688 H8 UFX A 224 4.362 20.858 21.226 1.00 0.00 H +HETATM 2689 C1 UFX A 225 27.583 10.213 21.596 1.00 0.00 C +HETATM 2690 C2 UFX A 225 26.082 9.913 21.682 1.00 0.00 C +HETATM 2691 C3 UFX A 225 25.651 9.320 23.051 1.00 0.00 C +HETATM 2692 O1 UFX A 225 25.799 10.327 24.133 1.00 0.00 O +HETATM 2693 H1 UFX A 225 28.066 9.287 21.906 1.00 0.00 H +HETATM 2694 H2 UFX A 225 27.921 10.565 20.621 1.00 0.00 H +HETATM 2695 H3 UFX A 225 27.823 11.015 22.294 1.00 0.00 H +HETATM 2696 H4 UFX A 225 25.459 10.764 21.408 1.00 0.00 H +HETATM 2697 H5 UFX A 225 25.863 9.283 20.820 1.00 0.00 H +HETATM 2698 H6 UFX A 225 26.178 8.370 23.137 1.00 0.00 H +HETATM 2699 H7 UFX A 225 24.595 9.049 23.069 1.00 0.00 H +HETATM 2700 H8 UFX A 225 26.754 10.378 24.351 1.00 0.00 H +HETATM 2701 C1 UFX A 226 22.769 12.055 -0.333 1.00 0.00 C +HETATM 2702 C2 UFX A 226 22.442 13.551 -0.419 1.00 0.00 C +HETATM 2703 C3 UFX A 226 22.411 14.069 1.000 1.00 0.00 C +HETATM 2704 O1 UFX A 226 22.227 15.472 0.903 1.00 0.00 O +HETATM 2705 H1 UFX A 226 23.664 11.745 0.207 1.00 0.00 H +HETATM 2706 H2 UFX A 226 21.934 11.469 0.050 1.00 0.00 H +HETATM 2707 H3 UFX A 226 22.972 11.704 -1.345 1.00 0.00 H +HETATM 2708 H4 UFX A 226 23.253 14.052 -0.947 1.00 0.00 H +HETATM 2709 H5 UFX A 226 21.466 13.632 -0.897 1.00 0.00 H +HETATM 2710 H6 UFX A 226 23.377 13.836 1.449 1.00 0.00 H +HETATM 2711 H7 UFX A 226 21.626 13.675 1.645 1.00 0.00 H +HETATM 2712 H8 UFX A 226 22.359 16.025 1.702 1.00 0.00 H +HETATM 2713 C1 UFX A 227 13.773 15.752 25.866 1.00 0.00 C +HETATM 2714 C2 UFX A 227 13.082 16.654 26.992 1.00 0.00 C +HETATM 2715 C3 UFX A 227 13.925 16.565 28.273 1.00 0.00 C +HETATM 2716 O1 UFX A 227 13.590 15.390 28.951 1.00 0.00 O +HETATM 2717 H1 UFX A 227 13.990 14.747 26.229 1.00 0.00 H +HETATM 2718 H2 UFX A 227 13.135 15.624 24.991 1.00 0.00 H +HETATM 2719 H3 UFX A 227 14.704 16.185 25.500 1.00 0.00 H +HETATM 2720 H4 UFX A 227 12.899 17.668 26.634 1.00 0.00 H +HETATM 2721 H5 UFX A 227 12.065 16.346 27.237 1.00 0.00 H +HETATM 2722 H6 UFX A 227 13.637 17.408 28.901 1.00 0.00 H +HETATM 2723 H7 UFX A 227 14.988 16.647 28.046 1.00 0.00 H +HETATM 2724 H8 UFX A 227 12.651 15.340 29.230 1.00 0.00 H +HETATM 2725 C1 UFX A 228 -7.306 24.051 -0.704 1.00 0.00 C +HETATM 2726 C2 UFX A 228 -5.980 24.064 -1.528 1.00 0.00 C +HETATM 2727 C3 UFX A 228 -4.871 23.241 -0.868 1.00 0.00 C +HETATM 2728 O1 UFX A 228 -4.629 23.823 0.434 1.00 0.00 O +HETATM 2729 H1 UFX A 228 -7.241 24.703 0.168 1.00 0.00 H +HETATM 2730 H2 UFX A 228 -8.065 24.573 -1.287 1.00 0.00 H +HETATM 2731 H3 UFX A 228 -7.547 23.051 -0.342 1.00 0.00 H +HETATM 2732 H4 UFX A 228 -6.189 23.712 -2.538 1.00 0.00 H +HETATM 2733 H5 UFX A 228 -5.665 25.102 -1.634 1.00 0.00 H +HETATM 2734 H6 UFX A 228 -3.927 23.183 -1.410 1.00 0.00 H +HETATM 2735 H7 UFX A 228 -5.246 22.232 -0.692 1.00 0.00 H +HETATM 2736 H8 UFX A 228 -3.973 24.545 0.326 1.00 0.00 H +HETATM 2737 C1 UFX A 229 9.093 0.067 6.787 1.00 0.00 C +HETATM 2738 C2 UFX A 229 8.929 -1.201 7.564 1.00 0.00 C +HETATM 2739 C3 UFX A 229 8.574 -0.840 8.948 1.00 0.00 C +HETATM 2740 O1 UFX A 229 8.364 -2.074 9.703 1.00 0.00 O +HETATM 2741 H1 UFX A 229 8.149 0.556 6.544 1.00 0.00 H +HETATM 2742 H2 UFX A 229 9.693 0.765 7.370 1.00 0.00 H +HETATM 2743 H3 UFX A 229 9.689 -0.112 5.892 1.00 0.00 H +HETATM 2744 H4 UFX A 229 8.196 -1.875 7.119 1.00 0.00 H +HETATM 2745 H5 UFX A 229 9.919 -1.659 7.536 1.00 0.00 H +HETATM 2746 H6 UFX A 229 7.624 -0.308 8.893 1.00 0.00 H +HETATM 2747 H7 UFX A 229 9.393 -0.307 9.431 1.00 0.00 H +HETATM 2748 H8 UFX A 229 7.719 -2.687 9.289 1.00 0.00 H +HETATM 2749 C1 UFX A 230 12.000 26.826 13.145 1.00 0.00 C +HETATM 2750 C2 UFX A 230 11.475 25.389 12.895 1.00 0.00 C +HETATM 2751 C3 UFX A 230 10.921 24.846 14.243 1.00 0.00 C +HETATM 2752 O1 UFX A 230 9.867 25.684 14.762 1.00 0.00 O +HETATM 2753 H1 UFX A 230 12.440 27.205 12.222 1.00 0.00 H +HETATM 2754 H2 UFX A 230 11.154 27.458 13.417 1.00 0.00 H +HETATM 2755 H3 UFX A 230 12.701 26.843 13.979 1.00 0.00 H +HETATM 2756 H4 UFX A 230 10.740 25.311 12.093 1.00 0.00 H +HETATM 2757 H5 UFX A 230 12.326 24.811 12.536 1.00 0.00 H +HETATM 2758 H6 UFX A 230 11.715 24.877 14.990 1.00 0.00 H +HETATM 2759 H7 UFX A 230 10.468 23.912 13.910 1.00 0.00 H +HETATM 2760 H8 UFX A 230 9.284 26.003 14.040 1.00 0.00 H +HETATM 2761 C1 UFX A 231 5.659 1.075 3.988 1.00 0.00 C +HETATM 2762 C2 UFX A 231 5.269 2.542 3.677 1.00 0.00 C +HETATM 2763 C3 UFX A 231 4.086 2.734 2.643 1.00 0.00 C +HETATM 2764 O1 UFX A 231 3.649 4.129 2.733 1.00 0.00 O +HETATM 2765 H1 UFX A 231 5.890 0.528 3.073 1.00 0.00 H +HETATM 2766 H2 UFX A 231 6.563 1.067 4.598 1.00 0.00 H +HETATM 2767 H3 UFX A 231 4.759 0.637 4.418 1.00 0.00 H +HETATM 2768 H4 UFX A 231 4.920 3.004 4.601 1.00 0.00 H +HETATM 2769 H5 UFX A 231 6.142 3.077 3.302 1.00 0.00 H +HETATM 2770 H6 UFX A 231 3.285 2.077 2.982 1.00 0.00 H +HETATM 2771 H7 UFX A 231 4.293 2.517 1.595 1.00 0.00 H +HETATM 2772 H8 UFX A 231 4.248 4.759 2.278 1.00 0.00 H +HETATM 2773 C1 UFX A 232 18.069 5.755 4.652 1.00 0.00 C +HETATM 2774 C2 UFX A 232 18.042 5.648 6.109 1.00 0.00 C +HETATM 2775 C3 UFX A 232 17.265 6.832 6.714 1.00 0.00 C +HETATM 2776 O1 UFX A 232 17.190 6.745 8.128 1.00 0.00 O +HETATM 2777 H1 UFX A 232 18.454 6.730 4.353 1.00 0.00 H +HETATM 2778 H2 UFX A 232 18.754 5.036 4.203 1.00 0.00 H +HETATM 2779 H3 UFX A 232 17.070 5.600 4.243 1.00 0.00 H +HETATM 2780 H4 UFX A 232 17.652 4.672 6.399 1.00 0.00 H +HETATM 2781 H5 UFX A 232 19.110 5.689 6.324 1.00 0.00 H +HETATM 2782 H6 UFX A 232 16.244 6.810 6.330 1.00 0.00 H +HETATM 2783 H7 UFX A 232 17.711 7.799 6.478 1.00 0.00 H +HETATM 2784 H8 UFX A 232 16.836 7.573 8.516 1.00 0.00 H +HETATM 2785 C1 UFX A 233 10.200 -2.645 25.169 1.00 0.00 C +HETATM 2786 C2 UFX A 233 10.315 -1.261 24.567 1.00 0.00 C +HETATM 2787 C3 UFX A 233 11.838 -0.770 24.681 1.00 0.00 C +HETATM 2788 O1 UFX A 233 11.847 0.688 24.570 1.00 0.00 O +HETATM 2789 H1 UFX A 233 9.156 -2.953 25.124 1.00 0.00 H +HETATM 2790 H2 UFX A 233 10.905 -3.308 24.666 1.00 0.00 H +HETATM 2791 H3 UFX A 233 10.401 -2.653 26.240 1.00 0.00 H +HETATM 2792 H4 UFX A 233 9.888 -1.306 23.565 1.00 0.00 H +HETATM 2793 H5 UFX A 233 9.705 -0.518 25.082 1.00 0.00 H +HETATM 2794 H6 UFX A 233 12.293 -1.258 23.818 1.00 0.00 H +HETATM 2795 H7 UFX A 233 12.282 -1.082 25.626 1.00 0.00 H +HETATM 2796 H8 UFX A 233 12.724 1.061 24.338 1.00 0.00 H +HETATM 2797 C1 UFX A 234 -4.022 17.940 14.684 1.00 0.00 C +HETATM 2798 C2 UFX A 234 -3.244 17.259 13.619 1.00 0.00 C +HETATM 2799 C3 UFX A 234 -1.994 16.434 14.134 1.00 0.00 C +HETATM 2800 O1 UFX A 234 -2.355 15.413 15.035 1.00 0.00 O +HETATM 2801 H1 UFX A 234 -4.378 17.270 15.467 1.00 0.00 H +HETATM 2802 H2 UFX A 234 -3.534 18.808 15.128 1.00 0.00 H +HETATM 2803 H3 UFX A 234 -4.950 18.334 14.270 1.00 0.00 H +HETATM 2804 H4 UFX A 234 -3.851 16.472 13.170 1.00 0.00 H +HETATM 2805 H5 UFX A 234 -2.893 17.928 12.833 1.00 0.00 H +HETATM 2806 H6 UFX A 234 -1.319 17.141 14.617 1.00 0.00 H +HETATM 2807 H7 UFX A 234 -1.488 15.936 13.307 1.00 0.00 H +HETATM 2808 H8 UFX A 234 -1.606 15.041 15.549 1.00 0.00 H +HETATM 2809 C1 UFX A 235 10.741 8.108 18.822 1.00 0.00 C +HETATM 2810 C2 UFX A 235 9.252 7.913 19.261 1.00 0.00 C +HETATM 2811 C3 UFX A 235 8.726 6.577 19.676 1.00 0.00 C +HETATM 2812 O1 UFX A 235 8.790 5.709 18.512 1.00 0.00 O +HETATM 2813 H1 UFX A 235 10.911 7.549 17.902 1.00 0.00 H +HETATM 2814 H2 UFX A 235 11.013 9.154 18.683 1.00 0.00 H +HETATM 2815 H3 UFX A 235 11.407 7.690 19.578 1.00 0.00 H +HETATM 2816 H4 UFX A 235 9.075 8.687 20.009 1.00 0.00 H +HETATM 2817 H5 UFX A 235 8.597 8.228 18.448 1.00 0.00 H +HETATM 2818 H6 UFX A 235 7.699 6.698 20.021 1.00 0.00 H +HETATM 2819 H7 UFX A 235 9.421 6.189 20.421 1.00 0.00 H +HETATM 2820 H8 UFX A 235 9.734 5.484 18.372 1.00 0.00 H +HETATM 2821 C1 UFX A 236 15.860 11.927 10.201 1.00 0.00 C +HETATM 2822 C2 UFX A 236 14.710 11.079 9.634 1.00 0.00 C +HETATM 2823 C3 UFX A 236 15.066 9.550 9.821 1.00 0.00 C +HETATM 2824 O1 UFX A 236 16.175 9.263 9.088 1.00 0.00 O +HETATM 2825 H1 UFX A 236 15.596 12.983 10.262 1.00 0.00 H +HETATM 2826 H2 UFX A 236 16.184 11.631 11.198 1.00 0.00 H +HETATM 2827 H3 UFX A 236 16.688 11.851 9.496 1.00 0.00 H +HETATM 2828 H4 UFX A 236 13.789 11.311 10.169 1.00 0.00 H +HETATM 2829 H5 UFX A 236 14.467 11.145 8.573 1.00 0.00 H +HETATM 2830 H6 UFX A 236 14.297 8.872 9.450 1.00 0.00 H +HETATM 2831 H7 UFX A 236 15.193 9.357 10.886 1.00 0.00 H +HETATM 2832 H8 UFX A 236 16.954 9.825 9.289 1.00 0.00 H +HETATM 2833 C1 UFX A 237 28.522 7.174 -2.166 1.00 0.00 C +HETATM 2834 C2 UFX A 237 29.722 6.192 -2.275 1.00 0.00 C +HETATM 2835 C3 UFX A 237 29.364 4.935 -3.035 1.00 0.00 C +HETATM 2836 O1 UFX A 237 28.453 4.247 -2.220 1.00 0.00 O +HETATM 2837 H1 UFX A 237 28.802 8.110 -1.682 1.00 0.00 H +HETATM 2838 H2 UFX A 237 28.109 7.470 -3.130 1.00 0.00 H +HETATM 2839 H3 UFX A 237 27.718 6.657 -1.641 1.00 0.00 H +HETATM 2840 H4 UFX A 237 30.565 6.699 -2.744 1.00 0.00 H +HETATM 2841 H5 UFX A 237 30.101 5.952 -1.282 1.00 0.00 H +HETATM 2842 H6 UFX A 237 30.217 4.259 -3.092 1.00 0.00 H +HETATM 2843 H7 UFX A 237 28.950 5.157 -4.019 1.00 0.00 H +HETATM 2844 H8 UFX A 237 28.085 3.464 -2.681 1.00 0.00 H +HETATM 2845 C1 UFX A 238 4.898 14.596 34.623 1.00 0.00 C +HETATM 2846 C2 UFX A 238 5.607 13.392 35.293 1.00 0.00 C +HETATM 2847 C3 UFX A 238 5.283 12.076 34.588 1.00 0.00 C +HETATM 2848 O1 UFX A 238 6.013 11.035 35.113 1.00 0.00 O +HETATM 2849 H1 UFX A 238 5.279 15.535 35.025 1.00 0.00 H +HETATM 2850 H2 UFX A 238 5.160 14.615 33.565 1.00 0.00 H +HETATM 2851 H3 UFX A 238 3.834 14.513 34.846 1.00 0.00 H +HETATM 2852 H4 UFX A 238 6.684 13.528 35.192 1.00 0.00 H +HETATM 2853 H5 UFX A 238 5.428 13.360 36.368 1.00 0.00 H +HETATM 2854 H6 UFX A 238 5.529 12.324 33.556 1.00 0.00 H +HETATM 2855 H7 UFX A 238 4.206 11.921 34.664 1.00 0.00 H +HETATM 2856 H8 UFX A 238 5.872 10.160 34.692 1.00 0.00 H +HETATM 2857 C1 UFX A 239 0.014 24.734 22.903 1.00 0.00 C +HETATM 2858 C2 UFX A 239 -0.035 24.171 21.432 1.00 0.00 C +HETATM 2859 C3 UFX A 239 0.841 22.939 21.407 1.00 0.00 C +HETATM 2860 O1 UFX A 239 0.351 21.957 22.264 1.00 0.00 O +HETATM 2861 H1 UFX A 239 -0.409 24.003 23.593 1.00 0.00 H +HETATM 2862 H2 UFX A 239 1.018 24.967 23.258 1.00 0.00 H +HETATM 2863 H3 UFX A 239 -0.591 25.621 23.088 1.00 0.00 H +HETATM 2864 H4 UFX A 239 -1.054 23.939 21.123 1.00 0.00 H +HETATM 2865 H5 UFX A 239 0.387 24.829 20.672 1.00 0.00 H +HETATM 2866 H6 UFX A 239 1.859 23.246 21.649 1.00 0.00 H +HETATM 2867 H7 UFX A 239 0.849 22.554 20.387 1.00 0.00 H +HETATM 2868 H8 UFX A 239 -0.561 21.687 22.025 1.00 0.00 H +HETATM 2869 C1 UFX A 240 6.919 8.323 5.108 1.00 0.00 C +HETATM 2870 C2 UFX A 240 5.790 8.202 6.139 1.00 0.00 C +HETATM 2871 C3 UFX A 240 4.892 6.986 5.969 1.00 0.00 C +HETATM 2872 O1 UFX A 240 3.999 7.084 6.977 1.00 0.00 O +HETATM 2873 H1 UFX A 240 7.530 7.420 5.126 1.00 0.00 H +HETATM 2874 H2 UFX A 240 6.437 8.540 4.155 1.00 0.00 H +HETATM 2875 H3 UFX A 240 7.624 9.112 5.369 1.00 0.00 H +HETATM 2876 H4 UFX A 240 6.202 8.173 7.148 1.00 0.00 H +HETATM 2877 H5 UFX A 240 5.132 9.070 6.126 1.00 0.00 H +HETATM 2878 H6 UFX A 240 5.498 6.082 6.021 1.00 0.00 H +HETATM 2879 H7 UFX A 240 4.418 7.036 4.988 1.00 0.00 H +HETATM 2880 H8 UFX A 240 3.335 7.781 6.791 1.00 0.00 H +HETATM 2881 C1 UFX A 241 20.025 15.563 10.914 1.00 0.00 C +HETATM 2882 C2 UFX A 241 19.374 16.935 10.856 1.00 0.00 C +HETATM 2883 C3 UFX A 241 18.266 17.046 11.873 1.00 0.00 C +HETATM 2884 O1 UFX A 241 18.865 17.202 13.126 1.00 0.00 O +HETATM 2885 H1 UFX A 241 21.004 15.678 10.449 1.00 0.00 H +HETATM 2886 H2 UFX A 241 20.091 15.271 11.963 1.00 0.00 H +HETATM 2887 H3 UFX A 241 19.512 14.758 10.388 1.00 0.00 H +HETATM 2888 H4 UFX A 241 20.125 17.711 11.008 1.00 0.00 H +HETATM 2889 H5 UFX A 241 18.943 16.966 9.855 1.00 0.00 H +HETATM 2890 H6 UFX A 241 17.612 16.177 11.810 1.00 0.00 H +HETATM 2891 H7 UFX A 241 17.564 17.842 11.623 1.00 0.00 H +HETATM 2892 H8 UFX A 241 18.202 17.192 13.850 1.00 0.00 H +HETATM 2893 C1 UFX A 242 3.550 16.630 18.481 1.00 0.00 C +HETATM 2894 C2 UFX A 242 3.329 17.496 17.219 1.00 0.00 C +HETATM 2895 C3 UFX A 242 2.518 16.670 16.181 1.00 0.00 C +HETATM 2896 O1 UFX A 242 0.994 16.821 16.400 1.00 0.00 O +HETATM 2897 H1 UFX A 242 3.844 15.674 18.048 1.00 0.00 H +HETATM 2898 H2 UFX A 242 4.380 16.972 19.100 1.00 0.00 H +HETATM 2899 H3 UFX A 242 2.556 16.477 18.902 1.00 0.00 H +HETATM 2900 H4 UFX A 242 2.804 18.413 17.489 1.00 0.00 H +HETATM 2901 H5 UFX A 242 4.274 17.680 16.707 1.00 0.00 H +HETATM 2902 H6 UFX A 242 2.795 15.617 16.131 1.00 0.00 H +HETATM 2903 H7 UFX A 242 2.737 17.001 15.166 1.00 0.00 H +HETATM 2904 H8 UFX A 242 0.781 17.666 16.850 1.00 0.00 H +HETATM 2905 C1 UFX A 243 30.628 -2.652 24.548 1.00 0.00 C +HETATM 2906 C2 UFX A 243 31.716 -2.758 25.589 1.00 0.00 C +HETATM 2907 C3 UFX A 243 31.498 -1.647 26.581 1.00 0.00 C +HETATM 2908 O1 UFX A 243 31.540 -0.396 25.944 1.00 0.00 O +HETATM 2909 H1 UFX A 243 30.868 -3.229 23.655 1.00 0.00 H +HETATM 2910 H2 UFX A 243 29.648 -3.004 24.871 1.00 0.00 H +HETATM 2911 H3 UFX A 243 30.447 -1.628 24.220 1.00 0.00 H +HETATM 2912 H4 UFX A 243 31.785 -3.779 25.964 1.00 0.00 H +HETATM 2913 H5 UFX A 243 32.658 -2.580 25.069 1.00 0.00 H +HETATM 2914 H6 UFX A 243 32.233 -1.724 27.382 1.00 0.00 H +HETATM 2915 H7 UFX A 243 30.511 -1.809 27.013 1.00 0.00 H +HETATM 2916 H8 UFX A 243 32.456 -0.105 25.748 1.00 0.00 H +HETATM 2917 C1 UFX A 244 3.175 14.390 -10.571 1.00 0.00 C +HETATM 2918 C2 UFX A 244 3.759 13.822 -9.344 1.00 0.00 C +HETATM 2919 C3 UFX A 244 3.871 14.768 -8.134 1.00 0.00 C +HETATM 2920 O1 UFX A 244 4.640 14.128 -7.132 1.00 0.00 O +HETATM 2921 H1 UFX A 244 2.158 14.763 -10.452 1.00 0.00 H +HETATM 2922 H2 UFX A 244 3.826 15.182 -10.942 1.00 0.00 H +HETATM 2923 H3 UFX A 244 3.077 13.628 -11.344 1.00 0.00 H +HETATM 2924 H4 UFX A 244 3.173 12.967 -9.007 1.00 0.00 H +HETATM 2925 H5 UFX A 244 4.766 13.457 -9.551 1.00 0.00 H +HETATM 2926 H6 UFX A 244 2.870 14.863 -7.712 1.00 0.00 H +HETATM 2927 H7 UFX A 244 4.201 15.784 -8.352 1.00 0.00 H +HETATM 2928 H8 UFX A 244 4.834 14.734 -6.385 1.00 0.00 H +HETATM 2929 C1 UFX A 245 2.670 27.340 27.903 1.00 0.00 C +HETATM 2930 C2 UFX A 245 3.837 27.497 26.960 1.00 0.00 C +HETATM 2931 C3 UFX A 245 5.260 27.680 27.571 1.00 0.00 C +HETATM 2932 O1 UFX A 245 5.406 28.977 28.263 1.00 0.00 O +HETATM 2933 H1 UFX A 245 1.782 27.772 27.441 1.00 0.00 H +HETATM 2934 H2 UFX A 245 2.585 26.302 28.224 1.00 0.00 H +HETATM 2935 H3 UFX A 245 2.968 27.849 28.819 1.00 0.00 H +HETATM 2936 H4 UFX A 245 3.808 26.683 26.234 1.00 0.00 H +HETATM 2937 H5 UFX A 245 3.640 28.387 26.363 1.00 0.00 H +HETATM 2938 H6 UFX A 245 6.004 27.536 26.788 1.00 0.00 H +HETATM 2939 H7 UFX A 245 5.393 26.793 28.190 1.00 0.00 H +HETATM 2940 H8 UFX A 245 6.321 29.239 28.503 1.00 0.00 H +HETATM 2941 C1 UFX A 246 21.581 23.507 4.409 1.00 0.00 C +HETATM 2942 C2 UFX A 246 23.063 23.774 4.354 1.00 0.00 C +HETATM 2943 C3 UFX A 246 23.583 23.822 2.909 1.00 0.00 C +HETATM 2944 O1 UFX A 246 24.948 24.213 2.922 1.00 0.00 O +HETATM 2945 H1 UFX A 246 20.949 23.943 3.635 1.00 0.00 H +HETATM 2946 H2 UFX A 246 21.446 22.427 4.339 1.00 0.00 H +HETATM 2947 H3 UFX A 246 21.216 23.792 5.395 1.00 0.00 H +HETATM 2948 H4 UFX A 246 23.322 24.704 4.861 1.00 0.00 H +HETATM 2949 H5 UFX A 246 23.582 22.991 4.908 1.00 0.00 H +HETATM 2950 H6 UFX A 246 23.004 24.586 2.390 1.00 0.00 H +HETATM 2951 H7 UFX A 246 23.545 22.868 2.384 1.00 0.00 H +HETATM 2952 H8 UFX A 246 25.344 23.897 2.083 1.00 0.00 H +HETATM 2953 C1 UFX A 247 27.072 1.446 20.573 1.00 0.00 C +HETATM 2954 C2 UFX A 247 28.547 1.664 20.878 1.00 0.00 C +HETATM 2955 C3 UFX A 247 29.231 1.731 19.466 1.00 0.00 C +HETATM 2956 O1 UFX A 247 30.472 2.440 19.664 1.00 0.00 O +HETATM 2957 H1 UFX A 247 26.548 1.268 21.512 1.00 0.00 H +HETATM 2958 H2 UFX A 247 26.627 2.340 20.136 1.00 0.00 H +HETATM 2959 H3 UFX A 247 26.915 0.554 19.966 1.00 0.00 H +HETATM 2960 H4 UFX A 247 28.713 2.605 21.401 1.00 0.00 H +HETATM 2961 H5 UFX A 247 28.970 0.818 21.421 1.00 0.00 H +HETATM 2962 H6 UFX A 247 28.721 2.358 18.735 1.00 0.00 H +HETATM 2963 H7 UFX A 247 29.401 0.763 18.994 1.00 0.00 H +HETATM 2964 H8 UFX A 247 31.185 2.140 19.061 1.00 0.00 H +HETATM 2965 C1 UFX A 248 15.916 10.669 14.200 1.00 0.00 C +HETATM 2966 C2 UFX A 248 14.675 10.006 14.938 1.00 0.00 C +HETATM 2967 C3 UFX A 248 13.749 9.258 13.948 1.00 0.00 C +HETATM 2968 O1 UFX A 248 14.366 8.151 13.404 1.00 0.00 O +HETATM 2969 H1 UFX A 248 15.532 11.507 13.619 1.00 0.00 H +HETATM 2970 H2 UFX A 248 16.512 11.213 14.932 1.00 0.00 H +HETATM 2971 H3 UFX A 248 16.493 9.963 13.602 1.00 0.00 H +HETATM 2972 H4 UFX A 248 15.093 9.229 15.578 1.00 0.00 H +HETATM 2973 H5 UFX A 248 14.162 10.783 15.506 1.00 0.00 H +HETATM 2974 H6 UFX A 248 13.344 9.925 13.187 1.00 0.00 H +HETATM 2975 H7 UFX A 248 12.931 8.829 14.527 1.00 0.00 H +HETATM 2976 H8 UFX A 248 13.684 7.602 12.961 1.00 0.00 H +HETATM 2977 C1 UFX A 249 1.728 34.689 26.653 1.00 0.00 C +HETATM 2978 C2 UFX A 249 3.154 34.189 26.514 1.00 0.00 C +HETATM 2979 C3 UFX A 249 3.328 33.028 25.502 1.00 0.00 C +HETATM 2980 O1 UFX A 249 2.685 31.783 25.879 1.00 0.00 O +HETATM 2981 H1 UFX A 249 1.365 35.134 25.727 1.00 0.00 H +HETATM 2982 H2 UFX A 249 1.075 33.860 26.925 1.00 0.00 H +HETATM 2983 H3 UFX A 249 1.646 35.372 27.499 1.00 0.00 H +HETATM 2984 H4 UFX A 249 3.724 35.027 26.113 1.00 0.00 H +HETATM 2985 H5 UFX A 249 3.587 33.858 27.458 1.00 0.00 H +HETATM 2986 H6 UFX A 249 4.370 32.719 25.416 1.00 0.00 H +HETATM 2987 H7 UFX A 249 2.910 33.362 24.552 1.00 0.00 H +HETATM 2988 H8 UFX A 249 3.083 31.399 26.690 1.00 0.00 H +HETATM 2989 C1 UFX A 250 7.192 19.606 16.137 1.00 0.00 C +HETATM 2990 C2 UFX A 250 8.073 20.789 16.765 1.00 0.00 C +HETATM 2991 C3 UFX A 250 9.391 21.036 15.952 1.00 0.00 C +HETATM 2992 O1 UFX A 250 10.159 19.870 15.775 1.00 0.00 O +HETATM 2993 H1 UFX A 250 7.768 18.691 15.996 1.00 0.00 H +HETATM 2994 H2 UFX A 250 6.365 19.373 16.808 1.00 0.00 H +HETATM 2995 H3 UFX A 250 6.765 19.902 15.179 1.00 0.00 H +HETATM 2996 H4 UFX A 250 7.532 21.736 16.763 1.00 0.00 H +HETATM 2997 H5 UFX A 250 8.326 20.624 17.812 1.00 0.00 H +HETATM 2998 H6 UFX A 250 10.010 21.750 16.495 1.00 0.00 H +HETATM 2999 H7 UFX A 250 9.121 21.494 15.000 1.00 0.00 H +HETATM 3000 H8 UFX A 250 10.359 19.381 16.601 1.00 0.00 H +HETATM 3001 C1 UFX A 251 37.728 25.184 16.702 1.00 0.00 C +HETATM 3002 C2 UFX A 251 38.786 26.218 17.119 1.00 0.00 C +HETATM 3003 C3 UFX A 251 39.946 25.506 17.842 1.00 0.00 C +HETATM 3004 O1 UFX A 251 40.672 24.540 17.005 1.00 0.00 O +HETATM 3005 H1 UFX A 251 38.249 24.521 16.011 1.00 0.00 H +HETATM 3006 H2 UFX A 251 37.287 24.594 17.506 1.00 0.00 H +HETATM 3007 H3 UFX A 251 36.907 25.741 16.252 1.00 0.00 H +HETATM 3008 H4 UFX A 251 39.207 26.676 16.224 1.00 0.00 H +HETATM 3009 H5 UFX A 251 38.318 27.004 17.712 1.00 0.00 H +HETATM 3010 H6 UFX A 251 39.573 25.168 18.809 1.00 0.00 H +HETATM 3011 H7 UFX A 251 40.634 26.320 18.070 1.00 0.00 H +HETATM 3012 H8 UFX A 251 40.829 24.948 16.126 1.00 0.00 H +HETATM 3013 C1 UFX A 252 23.820 11.505 3.487 1.00 0.00 C +HETATM 3014 C2 UFX A 252 25.106 10.659 3.345 1.00 0.00 C +HETATM 3015 C3 UFX A 252 24.737 9.213 3.294 1.00 0.00 C +HETATM 3016 O1 UFX A 252 25.900 8.527 2.719 1.00 0.00 O +HETATM 3017 H1 UFX A 252 23.036 11.409 2.736 1.00 0.00 H +HETATM 3018 H2 UFX A 252 23.324 11.294 4.434 1.00 0.00 H +HETATM 3019 H3 UFX A 252 24.116 12.553 3.530 1.00 0.00 H +HETATM 3020 H4 UFX A 252 25.558 10.969 2.403 1.00 0.00 H +HETATM 3021 H5 UFX A 252 25.798 10.929 4.144 1.00 0.00 H +HETATM 3022 H6 UFX A 252 23.878 9.025 2.648 1.00 0.00 H +HETATM 3023 H7 UFX A 252 24.498 8.845 4.292 1.00 0.00 H +HETATM 3024 H8 UFX A 252 25.862 7.554 2.838 1.00 0.00 H +HETATM 3025 C1 UFX A 253 10.347 9.657 10.346 1.00 0.00 C +HETATM 3026 C2 UFX A 253 11.144 9.120 9.178 1.00 0.00 C +HETATM 3027 C3 UFX A 253 10.295 8.113 8.365 1.00 0.00 C +HETATM 3028 O1 UFX A 253 9.644 7.189 9.176 1.00 0.00 O +HETATM 3029 H1 UFX A 253 9.386 10.008 9.969 1.00 0.00 H +HETATM 3030 H2 UFX A 253 10.196 8.951 11.163 1.00 0.00 H +HETATM 3031 H3 UFX A 253 10.868 10.508 10.783 1.00 0.00 H +HETATM 3032 H4 UFX A 253 11.463 9.964 8.566 1.00 0.00 H +HETATM 3033 H5 UFX A 253 12.037 8.665 9.608 1.00 0.00 H +HETATM 3034 H6 UFX A 253 10.824 7.590 7.568 1.00 0.00 H +HETATM 3035 H7 UFX A 253 9.563 8.773 7.901 1.00 0.00 H +HETATM 3036 H8 UFX A 253 9.219 7.713 9.888 1.00 0.00 H +HETATM 3037 C1 UFX A 254 21.572 6.126 9.068 1.00 0.00 C +HETATM 3038 C2 UFX A 254 22.940 6.685 9.610 1.00 0.00 C +HETATM 3039 C3 UFX A 254 23.179 6.387 11.098 1.00 0.00 C +HETATM 3040 O1 UFX A 254 23.390 5.032 11.403 1.00 0.00 O +HETATM 3041 H1 UFX A 254 21.568 6.100 7.978 1.00 0.00 H +HETATM 3042 H2 UFX A 254 21.498 5.077 9.356 1.00 0.00 H +HETATM 3043 H3 UFX A 254 20.704 6.707 9.381 1.00 0.00 H +HETATM 3044 H4 UFX A 254 23.731 6.289 8.973 1.00 0.00 H +HETATM 3045 H5 UFX A 254 22.973 7.763 9.452 1.00 0.00 H +HETATM 3046 H6 UFX A 254 22.377 6.898 11.631 1.00 0.00 H +HETATM 3047 H7 UFX A 254 24.092 6.904 11.393 1.00 0.00 H +HETATM 3048 H8 UFX A 254 22.556 4.523 11.310 1.00 0.00 H +HETATM 3049 C1 UFX A 255 5.781 8.835 -2.485 1.00 0.00 C +HETATM 3050 C2 UFX A 255 5.368 10.262 -2.092 1.00 0.00 C +HETATM 3051 C3 UFX A 255 6.452 10.863 -1.122 1.00 0.00 C +HETATM 3052 O1 UFX A 255 6.338 10.345 0.212 1.00 0.00 O +HETATM 3053 H1 UFX A 255 5.108 8.328 -3.177 1.00 0.00 H +HETATM 3054 H2 UFX A 255 6.708 8.840 -3.058 1.00 0.00 H +HETATM 3055 H3 UFX A 255 6.006 8.246 -1.596 1.00 0.00 H +HETATM 3056 H4 UFX A 255 5.329 10.864 -3.000 1.00 0.00 H +HETATM 3057 H5 UFX A 255 4.359 10.309 -1.682 1.00 0.00 H +HETATM 3058 H6 UFX A 255 6.267 11.937 -1.093 1.00 0.00 H +HETATM 3059 H7 UFX A 255 7.479 10.707 -1.454 1.00 0.00 H +HETATM 3060 H8 UFX A 255 7.148 10.520 0.737 1.00 0.00 H +HETATM 3061 C1 UFX A 256 26.262 11.572 29.707 1.00 0.00 C +HETATM 3062 C2 UFX A 256 27.447 10.656 29.446 1.00 0.00 C +HETATM 3063 C3 UFX A 256 28.868 11.143 29.861 1.00 0.00 C +HETATM 3064 O1 UFX A 256 28.810 11.709 31.122 1.00 0.00 O +HETATM 3065 H1 UFX A 256 25.374 11.090 29.299 1.00 0.00 H +HETATM 3066 H2 UFX A 256 26.245 11.588 30.797 1.00 0.00 H +HETATM 3067 H3 UFX A 256 26.437 12.571 29.306 1.00 0.00 H +HETATM 3068 H4 UFX A 256 27.216 9.724 29.960 1.00 0.00 H +HETATM 3069 H5 UFX A 256 27.430 10.388 28.389 1.00 0.00 H +HETATM 3070 H6 UFX A 256 29.189 11.870 29.114 1.00 0.00 H +HETATM 3071 H7 UFX A 256 29.545 10.290 29.895 1.00 0.00 H +HETATM 3072 H8 UFX A 256 28.470 11.024 31.738 1.00 0.00 H +TER 3073 UFX A 256 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 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73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 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192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 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347 +CONECT 340 339 348 +CONECT 341 337 +CONECT 342 337 +CONECT 343 337 +CONECT 344 338 +CONECT 345 338 +CONECT 346 339 +CONECT 347 339 +CONECT 348 340 +CONECT 349 350 353 354 355 +CONECT 350 349 351 356 357 +CONECT 351 350 352 358 359 +CONECT 352 351 360 +CONECT 353 349 +CONECT 354 349 +CONECT 355 349 +CONECT 356 350 +CONECT 357 350 +CONECT 358 351 +CONECT 359 351 +CONECT 360 352 +CONECT 361 362 365 366 367 +CONECT 362 361 363 368 369 +CONECT 363 362 364 370 371 +CONECT 364 363 372 +CONECT 365 361 +CONECT 366 361 +CONECT 367 361 +CONECT 368 362 +CONECT 369 362 +CONECT 370 363 +CONECT 371 363 +CONECT 372 364 +CONECT 373 374 377 378 379 +CONECT 374 373 375 380 381 +CONECT 375 374 376 382 383 +CONECT 376 375 384 +CONECT 377 373 +CONECT 378 373 +CONECT 379 373 +CONECT 380 374 +CONECT 381 374 +CONECT 382 375 +CONECT 383 375 +CONECT 384 376 +CONECT 385 386 389 390 391 +CONECT 386 385 387 392 393 +CONECT 387 386 388 394 395 +CONECT 388 387 396 +CONECT 389 385 +CONECT 390 385 +CONECT 391 385 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864 +CONECT 857 853 +CONECT 858 853 +CONECT 859 853 +CONECT 860 854 +CONECT 861 854 +CONECT 862 855 +CONECT 863 855 +CONECT 864 856 +CONECT 865 866 869 870 871 +CONECT 866 865 867 872 873 +CONECT 867 866 868 874 875 +CONECT 868 867 876 +CONECT 869 865 +CONECT 870 865 +CONECT 871 865 +CONECT 872 866 +CONECT 873 866 +CONECT 874 867 +CONECT 875 867 +CONECT 876 868 +CONECT 877 878 881 882 883 +CONECT 878 877 879 884 885 +CONECT 879 878 880 886 887 +CONECT 880 879 888 +CONECT 881 877 +CONECT 882 877 +CONECT 883 877 +CONECT 884 878 +CONECT 885 878 +CONECT 886 879 +CONECT 887 879 +CONECT 888 880 +CONECT 889 890 893 894 895 +CONECT 890 889 891 896 897 +CONECT 891 890 892 898 899 +CONECT 892 891 900 +CONECT 893 889 +CONECT 894 889 +CONECT 895 889 +CONECT 896 890 +CONECT 897 890 +CONECT 898 891 +CONECT 899 891 +CONECT 900 892 +CONECT 901 902 905 906 907 +CONECT 902 901 903 908 909 +CONECT 903 902 904 910 911 +CONECT 904 903 912 +CONECT 905 901 +CONECT 906 901 +CONECT 907 901 +CONECT 908 902 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961 962 965 966 967 +CONECT 962 961 963 968 969 +CONECT 963 962 964 970 971 +CONECT 964 963 972 +CONECT 965 961 +CONECT 966 961 +CONECT 967 961 +CONECT 968 962 +CONECT 969 962 +CONECT 970 963 +CONECT 971 963 +CONECT 972 964 +CONECT 973 974 977 978 979 +CONECT 974 973 975 980 981 +CONECT 975 974 976 982 983 +CONECT 976 975 984 +CONECT 977 973 +CONECT 978 973 +CONECT 979 973 +CONECT 980 974 +CONECT 981 974 +CONECT 982 975 +CONECT 983 975 +CONECT 984 976 +CONECT 985 986 989 990 991 +CONECT 986 985 987 992 993 +CONECT 987 986 988 994 995 +CONECT 988 987 996 +CONECT 989 985 +CONECT 990 985 +CONECT 991 985 +CONECT 992 986 +CONECT 993 986 +CONECT 994 987 +CONECT 995 987 +CONECT 996 988 +CONECT 997 998 1001 1002 1003 +CONECT 998 997 999 1004 1005 +CONECT 999 998 1000 1006 1007 +CONECT 1000 999 1008 +CONECT 1001 997 +CONECT 1002 997 +CONECT 1003 997 +CONECT 1004 998 +CONECT 1005 998 +CONECT 1006 999 +CONECT 1007 999 +CONECT 1008 1000 +CONECT 1009 1010 1013 1014 1015 +CONECT 1010 1009 1011 1016 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2001 1994 +CONECT 2002 1995 +CONECT 2003 1995 +CONECT 2004 1996 +CONECT 2005 2006 2009 2010 2011 +CONECT 2006 2005 2007 2012 2013 +CONECT 2007 2006 2008 2014 2015 +CONECT 2008 2007 2016 +CONECT 2009 2005 +CONECT 2010 2005 +CONECT 2011 2005 +CONECT 2012 2006 +CONECT 2013 2006 +CONECT 2014 2007 +CONECT 2015 2007 +CONECT 2016 2008 +CONECT 2017 2018 2021 2022 2023 +CONECT 2018 2017 2019 2024 2025 +CONECT 2019 2018 2020 2026 2027 +CONECT 2020 2019 2028 +CONECT 2021 2017 +CONECT 2022 2017 +CONECT 2023 2017 +CONECT 2024 2018 +CONECT 2025 2018 +CONECT 2026 2019 +CONECT 2027 2019 +CONECT 2028 2020 +CONECT 2029 2030 2033 2034 2035 +CONECT 2030 2029 2031 2036 2037 +CONECT 2031 2030 2032 2038 2039 +CONECT 2032 2031 2040 +CONECT 2033 2029 +CONECT 2034 2029 +CONECT 2035 2029 +CONECT 2036 2030 +CONECT 2037 2030 +CONECT 2038 2031 +CONECT 2039 2031 +CONECT 2040 2032 +CONECT 2041 2042 2045 2046 2047 +CONECT 2042 2041 2043 2048 2049 +CONECT 2043 2042 2044 2050 2051 +CONECT 2044 2043 2052 +CONECT 2045 2041 +CONECT 2046 2041 +CONECT 2047 2041 +CONECT 2048 2042 +CONECT 2049 2042 +CONECT 2050 2043 +CONECT 2051 2043 +CONECT 2052 2044 +CONECT 2053 2054 2057 2058 2059 +CONECT 2054 2053 2055 2060 2061 +CONECT 2055 2054 2056 2062 2063 +CONECT 2056 2055 2064 +CONECT 2057 2053 +CONECT 2058 2053 +CONECT 2059 2053 +CONECT 2060 2054 +CONECT 2061 2054 +CONECT 2062 2055 +CONECT 2063 2055 +CONECT 2064 2056 +CONECT 2065 2066 2069 2070 2071 +CONECT 2066 2065 2067 2072 2073 +CONECT 2067 2066 2068 2074 2075 +CONECT 2068 2067 2076 +CONECT 2069 2065 +CONECT 2070 2065 +CONECT 2071 2065 +CONECT 2072 2066 +CONECT 2073 2066 +CONECT 2074 2067 +CONECT 2075 2067 +CONECT 2076 2068 +CONECT 2077 2078 2081 2082 2083 +CONECT 2078 2077 2079 2084 2085 +CONECT 2079 2078 2080 2086 2087 +CONECT 2080 2079 2088 +CONECT 2081 2077 +CONECT 2082 2077 +CONECT 2083 2077 +CONECT 2084 2078 +CONECT 2085 2078 +CONECT 2086 2079 +CONECT 2087 2079 +CONECT 2088 2080 +CONECT 2089 2090 2093 2094 2095 +CONECT 2090 2089 2091 2096 2097 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2361 2354 +CONECT 2362 2355 +CONECT 2363 2355 +CONECT 2364 2356 +CONECT 2365 2366 2369 2370 2371 +CONECT 2366 2365 2367 2372 2373 +CONECT 2367 2366 2368 2374 2375 +CONECT 2368 2367 2376 +CONECT 2369 2365 +CONECT 2370 2365 +CONECT 2371 2365 +CONECT 2372 2366 +CONECT 2373 2366 +CONECT 2374 2367 +CONECT 2375 2367 +CONECT 2376 2368 +CONECT 2377 2378 2381 2382 2383 +CONECT 2378 2377 2379 2384 2385 +CONECT 2379 2378 2380 2386 2387 +CONECT 2380 2379 2388 +CONECT 2381 2377 +CONECT 2382 2377 +CONECT 2383 2377 +CONECT 2384 2378 +CONECT 2385 2378 +CONECT 2386 2379 +CONECT 2387 2379 +CONECT 2388 2380 +CONECT 2389 2390 2393 2394 2395 +CONECT 2390 2389 2391 2396 2397 +CONECT 2391 2390 2392 2398 2399 +CONECT 2392 2391 2400 +CONECT 2393 2389 +CONECT 2394 2389 +CONECT 2395 2389 +CONECT 2396 2390 +CONECT 2397 2390 +CONECT 2398 2391 +CONECT 2399 2391 +CONECT 2400 2392 +CONECT 2401 2402 2405 2406 2407 +CONECT 2402 2401 2403 2408 2409 +CONECT 2403 2402 2404 2410 2411 +CONECT 2404 2403 2412 +CONECT 2405 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+CONECT 2497 2498 2501 2502 2503 +CONECT 2498 2497 2499 2504 2505 +CONECT 2499 2498 2500 2506 2507 +CONECT 2500 2499 2508 +CONECT 2501 2497 +CONECT 2502 2497 +CONECT 2503 2497 +CONECT 2504 2498 +CONECT 2505 2498 +CONECT 2506 2499 +CONECT 2507 2499 +CONECT 2508 2500 +CONECT 2509 2510 2513 2514 2515 +CONECT 2510 2509 2511 2516 2517 +CONECT 2511 2510 2512 2518 2519 +CONECT 2512 2511 2520 +CONECT 2513 2509 +CONECT 2514 2509 +CONECT 2515 2509 +CONECT 2516 2510 +CONECT 2517 2510 +CONECT 2518 2511 +CONECT 2519 2511 +CONECT 2520 2512 +CONECT 2521 2522 2525 2526 2527 +CONECT 2522 2521 2523 2528 2529 +CONECT 2523 2522 2524 2530 2531 +CONECT 2524 2523 2532 +CONECT 2525 2521 +CONECT 2526 2521 +CONECT 2527 2521 +CONECT 2528 2522 +CONECT 2529 2522 +CONECT 2530 2523 +CONECT 2531 2523 +CONECT 2532 2524 +CONECT 2533 2534 2537 2538 2539 +CONECT 2534 2533 2535 2540 2541 +CONECT 2535 2534 2536 2542 2543 +CONECT 2536 2535 2544 +CONECT 2537 2533 +CONECT 2538 2533 +CONECT 2539 2533 +CONECT 2540 2534 +CONECT 2541 2534 +CONECT 2542 2535 +CONECT 2543 2535 +CONECT 2544 2536 +CONECT 2545 2546 2549 2550 2551 +CONECT 2546 2545 2547 2552 2553 +CONECT 2547 2546 2548 2554 2555 +CONECT 2548 2547 2556 +CONECT 2549 2545 +CONECT 2550 2545 +CONECT 2551 2545 +CONECT 2552 2546 +CONECT 2553 2546 +CONECT 2554 2547 +CONECT 2555 2547 +CONECT 2556 2548 +CONECT 2557 2558 2561 2562 2563 +CONECT 2558 2557 2559 2564 2565 +CONECT 2559 2558 2560 2566 2567 +CONECT 2560 2559 2568 +CONECT 2561 2557 +CONECT 2562 2557 +CONECT 2563 2557 +CONECT 2564 2558 +CONECT 2565 2558 +CONECT 2566 2559 +CONECT 2567 2559 +CONECT 2568 2560 +CONECT 2569 2570 2573 2574 2575 +CONECT 2570 2569 2571 2576 2577 +CONECT 2571 2570 2572 2578 2579 +CONECT 2572 2571 2580 +CONECT 2573 2569 +CONECT 2574 2569 +CONECT 2575 2569 +CONECT 2576 2570 +CONECT 2577 2570 +CONECT 2578 2571 +CONECT 2579 2571 +CONECT 2580 2572 +CONECT 2581 2582 2585 2586 2587 +CONECT 2582 2581 2583 2588 2589 +CONECT 2583 2582 2584 2590 2591 +CONECT 2584 2583 2592 +CONECT 2585 2581 +CONECT 2586 2581 +CONECT 2587 2581 +CONECT 2588 2582 +CONECT 2589 2582 +CONECT 2590 2583 +CONECT 2591 2583 +CONECT 2592 2584 +CONECT 2593 2594 2597 2598 2599 +CONECT 2594 2593 2595 2600 2601 +CONECT 2595 2594 2596 2602 2603 +CONECT 2596 2595 2604 +CONECT 2597 2593 +CONECT 2598 2593 +CONECT 2599 2593 +CONECT 2600 2594 +CONECT 2601 2594 +CONECT 2602 2595 +CONECT 2603 2595 +CONECT 2604 2596 +CONECT 2605 2606 2609 2610 2611 +CONECT 2606 2605 2607 2612 2613 +CONECT 2607 2606 2608 2614 2615 +CONECT 2608 2607 2616 +CONECT 2609 2605 +CONECT 2610 2605 +CONECT 2611 2605 +CONECT 2612 2606 +CONECT 2613 2606 +CONECT 2614 2607 +CONECT 2615 2607 +CONECT 2616 2608 +CONECT 2617 2618 2621 2622 2623 +CONECT 2618 2617 2619 2624 2625 +CONECT 2619 2618 2620 2626 2627 +CONECT 2620 2619 2628 +CONECT 2621 2617 +CONECT 2622 2617 +CONECT 2623 2617 +CONECT 2624 2618 +CONECT 2625 2618 +CONECT 2626 2619 +CONECT 2627 2619 +CONECT 2628 2620 +CONECT 2629 2630 2633 2634 2635 +CONECT 2630 2629 2631 2636 2637 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2721 2714 +CONECT 2722 2715 +CONECT 2723 2715 +CONECT 2724 2716 +CONECT 2725 2726 2729 2730 2731 +CONECT 2726 2725 2727 2732 2733 +CONECT 2727 2726 2728 2734 2735 +CONECT 2728 2727 2736 +CONECT 2729 2725 +CONECT 2730 2725 +CONECT 2731 2725 +CONECT 2732 2726 +CONECT 2733 2726 +CONECT 2734 2727 +CONECT 2735 2727 +CONECT 2736 2728 +CONECT 2737 2738 2741 2742 2743 +CONECT 2738 2737 2739 2744 2745 +CONECT 2739 2738 2740 2746 2747 +CONECT 2740 2739 2748 +CONECT 2741 2737 +CONECT 2742 2737 +CONECT 2743 2737 +CONECT 2744 2738 +CONECT 2745 2738 +CONECT 2746 2739 +CONECT 2747 2739 +CONECT 2748 2740 +CONECT 2749 2750 2753 2754 2755 +CONECT 2750 2749 2751 2756 2757 +CONECT 2751 2750 2752 2758 2759 +CONECT 2752 2751 2760 +CONECT 2753 2749 +CONECT 2754 2749 +CONECT 2755 2749 +CONECT 2756 2750 +CONECT 2757 2750 +CONECT 2758 2751 +CONECT 2759 2751 +CONECT 2760 2752 +CONECT 2761 2762 2765 2766 2767 +CONECT 2762 2761 2763 2768 2769 +CONECT 2763 2762 2764 2770 2771 +CONECT 2764 2763 2772 +CONECT 2765 2761 +CONECT 2766 2761 +CONECT 2767 2761 +CONECT 2768 2762 +CONECT 2769 2762 +CONECT 2770 2763 +CONECT 2771 2763 +CONECT 2772 2764 +CONECT 2773 2774 2777 2778 2779 +CONECT 2774 2773 2775 2780 2781 +CONECT 2775 2774 2776 2782 2783 +CONECT 2776 2775 2784 +CONECT 2777 2773 +CONECT 2778 2773 +CONECT 2779 2773 +CONECT 2780 2774 +CONECT 2781 2774 +CONECT 2782 2775 +CONECT 2783 2775 +CONECT 2784 2776 +CONECT 2785 2786 2789 2790 2791 +CONECT 2786 2785 2787 2792 2793 +CONECT 2787 2786 2788 2794 2795 +CONECT 2788 2787 2796 +CONECT 2789 2785 +CONECT 2790 2785 +CONECT 2791 2785 +CONECT 2792 2786 +CONECT 2793 2786 +CONECT 2794 2787 +CONECT 2795 2787 +CONECT 2796 2788 +CONECT 2797 2798 2801 2802 2803 +CONECT 2798 2797 2799 2804 2805 +CONECT 2799 2798 2800 2806 2807 +CONECT 2800 2799 2808 +CONECT 2801 2797 +CONECT 2802 2797 +CONECT 2803 2797 +CONECT 2804 2798 +CONECT 2805 2798 +CONECT 2806 2799 +CONECT 2807 2799 +CONECT 2808 2800 +CONECT 2809 2810 2813 2814 2815 +CONECT 2810 2809 2811 2816 2817 +CONECT 2811 2810 2812 2818 2819 +CONECT 2812 2811 2820 +CONECT 2813 2809 +CONECT 2814 2809 +CONECT 2815 2809 +CONECT 2816 2810 +CONECT 2817 2810 +CONECT 2818 2811 +CONECT 2819 2811 +CONECT 2820 2812 +CONECT 2821 2822 2825 2826 2827 +CONECT 2822 2821 2823 2828 2829 +CONECT 2823 2822 2824 2830 2831 +CONECT 2824 2823 2832 +CONECT 2825 2821 +CONECT 2826 2821 +CONECT 2827 2821 +CONECT 2828 2822 +CONECT 2829 2822 +CONECT 2830 2823 +CONECT 2831 2823 +CONECT 2832 2824 +CONECT 2833 2834 2837 2838 2839 +CONECT 2834 2833 2835 2840 2841 +CONECT 2835 2834 2836 2842 2843 +CONECT 2836 2835 2844 +CONECT 2837 2833 +CONECT 2838 2833 +CONECT 2839 2833 +CONECT 2840 2834 +CONECT 2841 2834 +CONECT 2842 2835 +CONECT 2843 2835 +CONECT 2844 2836 +CONECT 2845 2846 2849 2850 2851 +CONECT 2846 2845 2847 2852 2853 +CONECT 2847 2846 2848 2854 2855 +CONECT 2848 2847 2856 +CONECT 2849 2845 +CONECT 2850 2845 +CONECT 2851 2845 +CONECT 2852 2846 +CONECT 2853 2846 +CONECT 2854 2847 +CONECT 2855 2847 +CONECT 2856 2848 +CONECT 2857 2858 2861 2862 2863 +CONECT 2858 2857 2859 2864 2865 +CONECT 2859 2858 2860 2866 2867 +CONECT 2860 2859 2868 +CONECT 2861 2857 +CONECT 2862 2857 +CONECT 2863 2857 +CONECT 2864 2858 +CONECT 2865 2858 +CONECT 2866 2859 +CONECT 2867 2859 +CONECT 2868 2860 +CONECT 2869 2870 2873 2874 2875 +CONECT 2870 2869 2871 2876 2877 +CONECT 2871 2870 2872 2878 2879 +CONECT 2872 2871 2880 +CONECT 2873 2869 +CONECT 2874 2869 +CONECT 2875 2869 +CONECT 2876 2870 +CONECT 2877 2870 +CONECT 2878 2871 +CONECT 2879 2871 +CONECT 2880 2872 +CONECT 2881 2882 2885 2886 2887 +CONECT 2882 2881 2883 2888 2889 +CONECT 2883 2882 2884 2890 2891 +CONECT 2884 2883 2892 +CONECT 2885 2881 +CONECT 2886 2881 +CONECT 2887 2881 +CONECT 2888 2882 +CONECT 2889 2882 +CONECT 2890 2883 +CONECT 2891 2883 +CONECT 2892 2884 +CONECT 2893 2894 2897 2898 2899 +CONECT 2894 2893 2895 2900 2901 +CONECT 2895 2894 2896 2902 2903 +CONECT 2896 2895 2904 +CONECT 2897 2893 +CONECT 2898 2893 +CONECT 2899 2893 +CONECT 2900 2894 +CONECT 2901 2894 +CONECT 2902 2895 +CONECT 2903 2895 +CONECT 2904 2896 +CONECT 2905 2906 2909 2910 2911 +CONECT 2906 2905 2907 2912 2913 +CONECT 2907 2906 2908 2914 2915 +CONECT 2908 2907 2916 +CONECT 2909 2905 +CONECT 2910 2905 +CONECT 2911 2905 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2907 +CONECT 2916 2908 +CONECT 2917 2918 2921 2922 2923 +CONECT 2918 2917 2919 2924 2925 +CONECT 2919 2918 2920 2926 2927 +CONECT 2920 2919 2928 +CONECT 2921 2917 +CONECT 2922 2917 +CONECT 2923 2917 +CONECT 2924 2918 +CONECT 2925 2918 +CONECT 2926 2919 +CONECT 2927 2919 +CONECT 2928 2920 +CONECT 2929 2930 2933 2934 2935 +CONECT 2930 2929 2931 2936 2937 +CONECT 2931 2930 2932 2938 2939 +CONECT 2932 2931 2940 +CONECT 2933 2929 +CONECT 2934 2929 +CONECT 2935 2929 +CONECT 2936 2930 +CONECT 2937 2930 +CONECT 2938 2931 +CONECT 2939 2931 +CONECT 2940 2932 +CONECT 2941 2942 2945 2946 2947 +CONECT 2942 2941 2943 2948 2949 +CONECT 2943 2942 2944 2950 2951 +CONECT 2944 2943 2952 +CONECT 2945 2941 +CONECT 2946 2941 +CONECT 2947 2941 +CONECT 2948 2942 +CONECT 2949 2942 +CONECT 2950 2943 +CONECT 2951 2943 +CONECT 2952 2944 +CONECT 2953 2954 2957 2958 2959 +CONECT 2954 2953 2955 2960 2961 +CONECT 2955 2954 2956 2962 2963 +CONECT 2956 2955 2964 +CONECT 2957 2953 +CONECT 2958 2953 +CONECT 2959 2953 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2955 +CONECT 2963 2955 +CONECT 2964 2956 +CONECT 2965 2966 2969 2970 2971 +CONECT 2966 2965 2967 2972 2973 +CONECT 2967 2966 2968 2974 2975 +CONECT 2968 2967 2976 +CONECT 2969 2965 +CONECT 2970 2965 +CONECT 2971 2965 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2967 +CONECT 2975 2967 +CONECT 2976 2968 +CONECT 2977 2978 2981 2982 2983 +CONECT 2978 2977 2979 2984 2985 +CONECT 2979 2978 2980 2986 2987 +CONECT 2980 2979 2988 +CONECT 2981 2977 +CONECT 2982 2977 +CONECT 2983 2977 +CONECT 2984 2978 +CONECT 2985 2978 +CONECT 2986 2979 +CONECT 2987 2979 +CONECT 2988 2980 +CONECT 2989 2990 2993 2994 2995 +CONECT 2990 2989 2991 2996 2997 +CONECT 2991 2990 2992 2998 2999 +CONECT 2992 2991 3000 +CONECT 2993 2989 +CONECT 2994 2989 +CONECT 2995 2989 +CONECT 2996 2990 +CONECT 2997 2990 +CONECT 2998 2991 +CONECT 2999 2991 +CONECT 3000 2992 +CONECT 3001 3002 3005 3006 3007 +CONECT 3002 3001 3003 3008 3009 +CONECT 3003 3002 3004 3010 3011 +CONECT 3004 3003 3012 +CONECT 3005 3001 +CONECT 3006 3001 +CONECT 3007 3001 +CONECT 3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/openmm_statistics.csv 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20.240 1.00 0.00 H +HETATM 24 H8 UFX A 2 2.704 20.290 20.038 1.00 0.00 H +HETATM 25 C1 UFX A 3 6.106 41.835 13.751 1.00 0.00 C +HETATM 26 C2 UFX A 3 7.021 40.822 13.120 1.00 0.00 C +HETATM 27 C3 UFX A 3 6.536 39.526 12.630 1.00 0.00 C +HETATM 28 O1 UFX A 3 5.659 39.912 11.555 1.00 0.00 O +HETATM 29 H1 UFX A 3 5.448 42.291 13.011 1.00 0.00 H +HETATM 30 H2 UFX A 3 5.360 41.307 14.345 1.00 0.00 H +HETATM 31 H3 UFX A 3 6.529 42.676 14.300 1.00 0.00 H +HETATM 32 H4 UFX A 3 7.664 41.405 12.461 1.00 0.00 H +HETATM 33 H5 UFX A 3 7.740 40.704 13.931 1.00 0.00 H +HETATM 34 H6 UFX A 3 5.964 38.974 13.376 1.00 0.00 H +HETATM 35 H7 UFX A 3 7.371 38.966 12.208 1.00 0.00 H +HETATM 36 H8 UFX A 3 5.031 40.600 11.865 1.00 0.00 H +HETATM 37 C1 UFX A 4 -7.171 26.510 22.476 1.00 0.00 C +HETATM 38 C2 UFX A 4 -6.537 27.817 22.004 1.00 0.00 C +HETATM 39 C3 UFX A 4 -6.234 28.719 23.290 1.00 0.00 C +HETATM 40 O1 UFX A 4 -5.216 29.699 22.953 1.00 0.00 O +HETATM 41 H1 UFX A 4 -6.384 25.869 22.873 1.00 0.00 H +HETATM 42 H2 UFX A 4 -7.741 26.804 23.357 1.00 0.00 H +HETATM 43 H3 UFX A 4 -7.841 26.081 21.730 1.00 0.00 H +HETATM 44 H4 UFX A 4 -5.602 27.549 21.512 1.00 0.00 H +HETATM 45 H5 UFX A 4 -7.188 28.452 21.402 1.00 0.00 H +HETATM 46 H6 UFX A 4 -6.015 28.102 24.162 1.00 0.00 H +HETATM 47 H7 UFX A 4 -7.147 29.251 23.556 1.00 0.00 H +HETATM 48 H8 UFX A 4 -5.447 30.576 23.326 1.00 0.00 H +HETATM 49 C1 UFX A 5 -19.910 14.732 18.778 1.00 0.00 C +HETATM 50 C2 UFX A 5 -19.560 16.155 18.256 1.00 0.00 C +HETATM 51 C3 UFX A 5 -19.896 17.192 19.410 1.00 0.00 C +HETATM 52 O1 UFX A 5 -19.293 18.477 19.104 1.00 0.00 O +HETATM 53 H1 UFX A 5 -20.940 14.690 19.133 1.00 0.00 H +HETATM 54 H2 UFX A 5 -19.830 13.981 17.992 1.00 0.00 H +HETATM 55 H3 UFX A 5 -19.280 14.388 19.599 1.00 0.00 H +HETATM 56 H4 UFX A 5 -18.500 16.143 17.999 1.00 0.00 H +HETATM 57 H5 UFX A 5 -20.094 16.355 17.328 1.00 0.00 H +HETATM 58 H6 UFX A 5 -19.458 16.829 20.340 1.00 0.00 H +HETATM 59 H7 UFX A 5 -20.976 17.322 19.489 1.00 0.00 H +HETATM 60 H8 UFX A 5 -19.547 19.181 19.739 1.00 0.00 H +HETATM 61 C1 UFX A 6 -7.950 38.175 19.333 1.00 0.00 C +HETATM 62 C2 UFX A 6 -7.160 36.970 18.810 1.00 0.00 C +HETATM 63 C3 UFX A 6 -8.045 35.803 18.386 1.00 0.00 C +HETATM 64 O1 UFX A 6 -8.613 35.866 17.087 1.00 0.00 O +HETATM 65 H1 UFX A 6 -8.579 38.543 18.523 1.00 0.00 H +HETATM 66 H2 UFX A 6 -8.569 37.780 20.138 1.00 0.00 H +HETATM 67 H3 UFX A 6 -7.235 38.936 19.647 1.00 0.00 H +HETATM 68 H4 UFX A 6 -6.537 37.241 17.957 1.00 0.00 H +HETATM 69 H5 UFX A 6 -6.487 36.718 19.630 1.00 0.00 H +HETATM 70 H6 UFX A 6 -8.854 35.732 19.113 1.00 0.00 H +HETATM 71 H7 UFX A 6 -7.449 34.898 18.506 1.00 0.00 H +HETATM 72 H8 UFX A 6 -9.285 35.155 17.011 1.00 0.00 H +HETATM 73 C1 UFX A 7 39.277 1.057 28.960 1.00 0.00 C +HETATM 74 C2 UFX A 7 40.022 0.435 27.773 1.00 0.00 C +HETATM 75 C3 UFX A 7 40.210 -1.083 27.959 1.00 0.00 C +HETATM 76 O1 UFX A 7 41.080 -1.372 29.075 1.00 0.00 O +HETATM 77 H1 UFX A 7 39.832 0.843 29.874 1.00 0.00 H +HETATM 78 H2 UFX A 7 39.103 2.118 28.783 1.00 0.00 H +HETATM 79 H3 UFX A 7 38.331 0.534 29.108 1.00 0.00 H +HETATM 80 H4 UFX A 7 39.455 0.729 26.890 1.00 0.00 H +HETATM 81 H5 UFX A 7 41.030 0.851 27.788 1.00 0.00 H +HETATM 82 H6 UFX A 7 40.679 -1.551 27.094 1.00 0.00 H +HETATM 83 H7 UFX A 7 39.253 -1.549 28.193 1.00 0.00 H +HETATM 84 H8 UFX A 7 41.904 -0.849 28.979 1.00 0.00 H +HETATM 85 C1 UFX A 8 21.547 20.165 13.987 1.00 0.00 C +HETATM 86 C2 UFX A 8 22.705 21.161 14.100 1.00 0.00 C +HETATM 87 C3 UFX A 8 22.395 22.229 15.208 1.00 0.00 C +HETATM 88 O1 UFX A 8 21.161 22.909 14.929 1.00 0.00 O +HETATM 89 H1 UFX A 8 21.971 19.351 13.399 1.00 0.00 H +HETATM 90 H2 UFX A 8 21.145 19.834 14.946 1.00 0.00 H +HETATM 91 H3 UFX A 8 20.737 20.625 13.421 1.00 0.00 H +HETATM 92 H4 UFX A 8 23.632 20.661 14.382 1.00 0.00 H +HETATM 93 H5 UFX A 8 23.012 21.649 13.174 1.00 0.00 H +HETATM 94 H6 UFX A 8 23.258 22.892 15.263 1.00 0.00 H +HETATM 95 H7 UFX A 8 22.327 21.662 16.137 1.00 0.00 H +HETATM 96 H8 UFX A 8 21.233 23.542 14.182 1.00 0.00 H +HETATM 97 C1 UFX A 9 8.858 18.278 39.293 1.00 0.00 C +HETATM 98 C2 UFX A 9 7.749 18.873 40.064 1.00 0.00 C +HETATM 99 C3 UFX A 9 7.070 17.862 40.947 1.00 0.00 C +HETATM 100 O1 UFX A 9 6.004 18.551 41.729 1.00 0.00 O +HETATM 101 H1 UFX A 9 9.180 19.079 38.628 1.00 0.00 H +HETATM 102 H2 UFX A 9 9.662 18.065 39.999 1.00 0.00 H +HETATM 103 H3 UFX A 9 8.612 17.383 38.721 1.00 0.00 H +HETATM 104 H4 UFX A 9 7.962 19.754 40.670 1.00 0.00 H +HETATM 105 H5 UFX A 9 6.982 19.121 39.331 1.00 0.00 H +HETATM 106 H6 UFX A 9 7.823 17.439 41.613 1.00 0.00 H +HETATM 107 H7 UFX A 9 6.674 17.065 40.317 1.00 0.00 H +HETATM 108 H8 UFX A 9 5.626 18.036 42.473 1.00 0.00 H +HETATM 109 C1 UFX A 10 10.027 -9.073 -22.993 1.00 0.00 C +HETATM 110 C2 UFX A 10 10.672 -7.958 -23.928 1.00 0.00 C +HETATM 111 C3 UFX A 10 12.123 -8.331 -24.308 1.00 0.00 C +HETATM 112 O1 UFX A 10 12.797 -8.522 -23.053 1.00 0.00 O +HETATM 113 H1 UFX A 10 10.344 -10.096 -23.195 1.00 0.00 H +HETATM 114 H2 UFX A 10 10.254 -8.951 -21.934 1.00 0.00 H +HETATM 115 H3 UFX A 10 8.944 -9.084 -23.116 1.00 0.00 H +HETATM 116 H4 UFX A 10 10.093 -7.898 -24.849 1.00 0.00 H +HETATM 117 H5 UFX A 10 10.626 -6.985 -23.438 1.00 0.00 H +HETATM 118 H6 UFX A 10 12.611 -7.545 -24.886 1.00 0.00 H +HETATM 119 H7 UFX A 10 12.094 -9.268 -24.863 1.00 0.00 H +HETATM 120 H8 UFX A 10 12.716 -7.806 -22.387 1.00 0.00 H +HETATM 121 C1 UFX A 11 -11.221 50.479 58.618 1.00 0.00 C +HETATM 122 C2 UFX A 11 -12.391 49.529 58.354 1.00 0.00 C +HETATM 123 C3 UFX A 11 -13.732 50.256 58.235 1.00 0.00 C +HETATM 124 O1 UFX A 11 -14.205 50.565 59.522 1.00 0.00 O +HETATM 125 H1 UFX A 11 -11.491 51.324 59.252 1.00 0.00 H +HETATM 126 H2 UFX A 11 -10.371 49.866 58.919 1.00 0.00 H +HETATM 127 H3 UFX A 11 -10.940 50.840 57.628 1.00 0.00 H +HETATM 128 H4 UFX A 11 -12.237 49.099 57.364 1.00 0.00 H +HETATM 129 H5 UFX A 11 -12.484 48.768 59.130 1.00 0.00 H +HETATM 130 H6 UFX A 11 -14.477 49.638 57.733 1.00 0.00 H +HETATM 131 H7 UFX A 11 -13.630 51.159 57.632 1.00 0.00 H +HETATM 132 H8 UFX A 11 -14.488 49.764 60.013 1.00 0.00 H +HETATM 133 C1 UFX A 12 -2.894 23.864 22.488 1.00 0.00 C +HETATM 134 C2 UFX A 12 -3.740 23.468 21.282 1.00 0.00 C +HETATM 135 C3 UFX A 12 -4.927 22.562 21.644 1.00 0.00 C +HETATM 136 O1 UFX A 12 -5.570 22.044 20.507 1.00 0.00 O +HETATM 137 H1 UFX A 12 -2.013 24.467 22.267 1.00 0.00 H +HETATM 138 H2 UFX A 12 -3.527 24.304 23.258 1.00 0.00 H +HETATM 139 H3 UFX A 12 -2.500 22.910 22.840 1.00 0.00 H +HETATM 140 H4 UFX A 12 -4.243 24.395 21.006 1.00 0.00 H +HETATM 141 H5 UFX A 12 -3.157 23.070 20.452 1.00 0.00 H +HETATM 142 H6 UFX A 12 -5.649 23.073 22.281 1.00 0.00 H +HETATM 143 H7 UFX A 12 -4.462 21.761 22.218 1.00 0.00 H +HETATM 144 H8 UFX A 12 -6.302 21.435 20.742 1.00 0.00 H +HETATM 145 C1 UFX A 13 7.752 17.751 20.896 1.00 0.00 C +HETATM 146 C2 UFX A 13 7.133 16.439 21.468 1.00 0.00 C +HETATM 147 C3 UFX A 13 7.760 15.249 20.700 1.00 0.00 C +HETATM 148 O1 UFX A 13 7.145 13.895 20.998 1.00 0.00 O +HETATM 149 H1 UFX A 13 8.841 17.697 20.927 1.00 0.00 H +HETATM 150 H2 UFX A 13 7.548 17.908 19.836 1.00 0.00 H +HETATM 151 H3 UFX A 13 7.458 18.606 21.505 1.00 0.00 H +HETATM 152 H4 UFX A 13 7.269 16.302 22.541 1.00 0.00 H +HETATM 153 H5 UFX A 13 6.045 16.456 21.411 1.00 0.00 H +HETATM 154 H6 UFX A 13 8.840 15.329 20.822 1.00 0.00 H +HETATM 155 H7 UFX A 13 7.642 15.395 19.626 1.00 0.00 H +HETATM 156 H8 UFX A 13 7.451 13.618 21.888 1.00 0.00 H +HETATM 157 C1 UFX A 14 -1.416 18.059 2.240 1.00 0.00 C +HETATM 158 C2 UFX A 14 -0.063 18.322 1.599 1.00 0.00 C +HETATM 159 C3 UFX A 14 -0.195 18.540 0.072 1.00 0.00 C +HETATM 160 O1 UFX A 14 1.067 18.857 -0.409 1.00 0.00 O +HETATM 161 H1 UFX A 14 -2.004 17.404 1.595 1.00 0.00 H +HETATM 162 H2 UFX A 14 -1.276 17.676 3.251 1.00 0.00 H +HETATM 163 H3 UFX A 14 -1.952 19.007 2.286 1.00 0.00 H +HETATM 164 H4 UFX A 14 0.538 19.100 2.070 1.00 0.00 H +HETATM 165 H5 UFX A 14 0.567 17.433 1.638 1.00 0.00 H +HETATM 166 H6 UFX A 14 -0.848 19.393 -0.115 1.00 0.00 H +HETATM 167 H7 UFX A 14 -0.493 17.605 -0.404 1.00 0.00 H +HETATM 168 H8 UFX A 14 1.443 19.645 0.038 1.00 0.00 H +HETATM 169 C1 UFX A 15 40.188 -5.550 22.477 1.00 0.00 C +HETATM 170 C2 UFX A 15 38.870 -6.024 22.936 1.00 0.00 C +HETATM 171 C3 UFX A 15 38.043 -6.491 21.788 1.00 0.00 C +HETATM 172 O1 UFX A 15 37.650 -5.428 20.917 1.00 0.00 O +HETATM 173 H1 UFX A 15 40.481 -6.124 21.597 1.00 0.00 H +HETATM 174 H2 UFX A 15 40.056 -4.505 22.197 1.00 0.00 H +HETATM 175 H3 UFX A 15 40.936 -5.702 23.255 1.00 0.00 H +HETATM 176 H4 UFX A 15 38.870 -6.831 23.669 1.00 0.00 H +HETATM 177 H5 UFX A 15 38.421 -5.207 23.501 1.00 0.00 H +HETATM 178 H6 UFX A 15 37.134 -6.912 22.217 1.00 0.00 H +HETATM 179 H7 UFX A 15 38.523 -7.179 21.091 1.00 0.00 H +HETATM 180 H8 UFX A 15 38.385 -5.149 20.329 1.00 0.00 H +HETATM 181 C1 UFX A 16 22.665 43.159 28.325 1.00 0.00 C +HETATM 182 C2 UFX A 16 22.782 43.641 26.880 1.00 0.00 C +HETATM 183 C3 UFX A 16 24.237 43.500 26.293 1.00 0.00 C +HETATM 184 O1 UFX A 16 25.304 43.837 27.191 1.00 0.00 O +HETATM 185 H1 UFX A 16 21.711 43.331 28.824 1.00 0.00 H +HETATM 186 H2 UFX A 16 22.873 42.089 28.290 1.00 0.00 H +HETATM 187 H3 UFX A 16 23.412 43.653 28.946 1.00 0.00 H +HETATM 188 H4 UFX A 16 22.106 43.140 26.186 1.00 0.00 H +HETATM 189 H5 UFX A 16 22.557 44.701 26.756 1.00 0.00 H +HETATM 190 H6 UFX A 16 24.389 44.071 25.377 1.00 0.00 H +HETATM 191 H7 UFX A 16 24.289 42.426 26.116 1.00 0.00 H +HETATM 192 H8 UFX A 16 25.192 44.723 27.598 1.00 0.00 H +HETATM 193 C1 UFX A 17 17.858 26.202 29.737 1.00 0.00 C +HETATM 194 C2 UFX A 17 16.904 26.457 28.577 1.00 0.00 C +HETATM 195 C3 UFX A 17 16.940 27.890 28.004 1.00 0.00 C +HETATM 196 O1 UFX A 17 18.352 28.404 27.749 1.00 0.00 O +HETATM 197 H1 UFX A 17 17.793 25.196 30.152 1.00 0.00 H +HETATM 198 H2 UFX A 17 18.857 26.332 29.320 1.00 0.00 H +HETATM 199 H3 UFX A 17 17.697 26.831 30.613 1.00 0.00 H +HETATM 200 H4 UFX A 17 17.087 25.794 27.731 1.00 0.00 H +HETATM 201 H5 UFX A 17 15.903 26.163 28.893 1.00 0.00 H +HETATM 202 H6 UFX A 17 16.456 28.504 28.763 1.00 0.00 H +HETATM 203 H7 UFX A 17 16.308 27.955 27.119 1.00 0.00 H +HETATM 204 H8 UFX A 17 18.822 28.576 28.593 1.00 0.00 H +HETATM 205 C1 UFX A 18 14.964 7.940 19.155 1.00 0.00 C +HETATM 206 C2 UFX A 18 14.608 7.351 17.796 1.00 0.00 C +HETATM 207 C3 UFX A 18 14.273 5.792 17.851 1.00 0.00 C +HETATM 208 O1 UFX A 18 15.353 5.113 18.458 1.00 0.00 O +HETATM 209 H1 UFX A 18 14.175 7.902 19.906 1.00 0.00 H +HETATM 210 H2 UFX A 18 15.939 7.586 19.492 1.00 0.00 H +HETATM 211 H3 UFX A 18 15.001 9.015 18.973 1.00 0.00 H +HETATM 212 H4 UFX A 18 13.701 7.900 17.542 1.00 0.00 H +HETATM 213 H5 UFX A 18 15.339 7.647 17.043 1.00 0.00 H +HETATM 214 H6 UFX A 18 13.992 5.394 16.876 1.00 0.00 H +HETATM 215 H7 UFX A 18 13.365 5.692 18.446 1.00 0.00 H +HETATM 216 H8 UFX A 18 16.169 5.146 17.913 1.00 0.00 H +HETATM 217 C1 UFX A 19 16.742 19.624 40.996 1.00 0.00 C +HETATM 218 C2 UFX A 19 15.298 19.295 41.376 1.00 0.00 C +HETATM 219 C3 UFX A 19 14.401 20.545 41.291 1.00 0.00 C +HETATM 220 O1 UFX A 19 14.295 21.054 39.949 1.00 0.00 O +HETATM 221 H1 UFX A 19 16.825 20.228 40.093 1.00 0.00 H +HETATM 222 H2 UFX A 19 17.207 20.111 41.853 1.00 0.00 H +HETATM 223 H3 UFX A 19 17.264 18.671 40.907 1.00 0.00 H +HETATM 224 H4 UFX A 19 14.833 18.546 40.735 1.00 0.00 H +HETATM 225 H5 UFX A 19 15.280 18.808 42.351 1.00 0.00 H +HETATM 226 H6 UFX A 19 14.750 21.406 41.861 1.00 0.00 H +HETATM 227 H7 UFX A 19 13.393 20.341 41.655 1.00 0.00 H +HETATM 228 H8 UFX A 19 13.876 21.941 39.975 1.00 0.00 H +HETATM 229 C1 UFX A 20 3.627 12.860 2.170 1.00 0.00 C +HETATM 230 C2 UFX A 20 3.308 12.114 3.437 1.00 0.00 C +HETATM 231 C3 UFX A 20 4.686 11.820 4.212 1.00 0.00 C +HETATM 232 O1 UFX A 20 5.330 13.070 4.520 1.00 0.00 O +HETATM 233 H1 UFX A 20 4.227 12.304 1.450 1.00 0.00 H +HETATM 234 H2 UFX A 20 2.694 13.111 1.664 1.00 0.00 H +HETATM 235 H3 UFX A 20 4.118 13.802 2.418 1.00 0.00 H +HETATM 236 H4 UFX A 20 2.629 12.675 4.080 1.00 0.00 H +HETATM 237 H5 UFX A 20 2.919 11.129 3.179 1.00 0.00 H +HETATM 238 H6 UFX A 20 5.246 11.188 3.522 1.00 0.00 H +HETATM 239 H7 UFX A 20 4.471 11.308 5.150 1.00 0.00 H +HETATM 240 H8 UFX A 20 6.138 12.950 5.063 1.00 0.00 H +HETATM 241 C1 UFX A 21 26.322 22.789 -0.257 1.00 0.00 C +HETATM 242 C2 UFX A 21 26.309 21.293 -0.452 1.00 0.00 C +HETATM 243 C3 UFX A 21 27.635 20.676 0.014 1.00 0.00 C +HETATM 244 O1 UFX A 21 27.414 19.232 -0.144 1.00 0.00 O +HETATM 245 H1 UFX A 21 27.022 23.319 -0.903 1.00 0.00 H +HETATM 246 H2 UFX A 21 25.313 23.108 -0.519 1.00 0.00 H +HETATM 247 H3 UFX A 21 26.523 23.117 0.763 1.00 0.00 H +HETATM 248 H4 UFX A 21 25.472 20.849 0.088 1.00 0.00 H +HETATM 249 H5 UFX A 21 26.189 21.052 -1.508 1.00 0.00 H +HETATM 250 H6 UFX A 21 27.848 20.960 1.045 1.00 0.00 H +HETATM 251 H7 UFX A 21 28.471 21.023 -0.593 1.00 0.00 H +HETATM 252 H8 UFX A 21 27.351 18.945 -1.080 1.00 0.00 H +HETATM 253 C1 UFX A 22 40.095 23.942 -15.664 1.00 0.00 C +HETATM 254 C2 UFX A 22 39.817 25.438 -15.253 1.00 0.00 C +HETATM 255 C3 UFX A 22 38.454 25.915 -15.760 1.00 0.00 C +HETATM 256 O1 UFX A 22 38.372 27.310 -15.429 1.00 0.00 O +HETATM 257 H1 UFX A 22 39.914 23.824 -16.732 1.00 0.00 H +HETATM 258 H2 UFX A 22 41.152 23.851 -15.413 1.00 0.00 H +HETATM 259 H3 UFX A 22 39.473 23.309 -15.030 1.00 0.00 H +HETATM 260 H4 UFX A 22 39.783 25.519 -14.166 1.00 0.00 H +HETATM 261 H5 UFX A 22 40.510 26.119 -15.748 1.00 0.00 H +HETATM 262 H6 UFX A 22 37.570 25.441 -15.334 1.00 0.00 H +HETATM 263 H7 UFX A 22 38.346 25.776 -16.835 1.00 0.00 H +HETATM 264 H8 UFX A 22 37.548 27.717 -15.774 1.00 0.00 H +HETATM 265 C1 UFX A 23 19.937 5.140 18.901 1.00 0.00 C +HETATM 266 C2 UFX A 23 18.567 4.927 18.292 1.00 0.00 C +HETATM 267 C3 UFX A 23 18.355 5.788 17.053 1.00 0.00 C +HETATM 268 O1 UFX A 23 17.174 5.405 16.346 1.00 0.00 O +HETATM 269 H1 UFX A 23 20.073 6.153 19.280 1.00 0.00 H +HETATM 270 H2 UFX A 23 20.113 4.471 19.744 1.00 0.00 H +HETATM 271 H3 UFX A 23 20.785 5.126 18.217 1.00 0.00 H +HETATM 272 H4 UFX A 23 18.569 3.904 17.916 1.00 0.00 H +HETATM 273 H5 UFX A 23 17.708 5.131 18.932 1.00 0.00 H +HETATM 274 H6 UFX A 23 19.248 5.649 16.443 1.00 0.00 H +HETATM 275 H7 UFX A 23 18.396 6.834 17.359 1.00 0.00 H +HETATM 276 H8 UFX A 23 17.170 5.909 15.505 1.00 0.00 H +HETATM 277 C1 UFX A 24 -5.554 21.340 13.597 1.00 0.00 C +HETATM 278 C2 UFX A 24 -5.419 22.316 12.427 1.00 0.00 C +HETATM 279 C3 UFX A 24 -4.161 23.235 12.643 1.00 0.00 C +HETATM 280 O1 UFX A 24 -4.114 24.306 11.664 1.00 0.00 O +HETATM 281 H1 UFX A 24 -5.946 21.935 14.422 1.00 0.00 H +HETATM 282 H2 UFX A 24 -6.166 20.506 13.254 1.00 0.00 H +HETATM 283 H3 UFX A 24 -4.524 21.053 13.808 1.00 0.00 H +HETATM 284 H4 UFX A 24 -5.403 21.745 11.498 1.00 0.00 H +HETATM 285 H5 UFX A 24 -6.256 23.012 12.487 1.00 0.00 H +HETATM 286 H6 UFX A 24 -3.231 22.685 12.495 1.00 0.00 H +HETATM 287 H7 UFX A 24 -4.182 23.559 13.684 1.00 0.00 H +HETATM 288 H8 UFX A 24 -4.771 25.019 11.814 1.00 0.00 H +HETATM 289 C1 UFX A 25 2.920 46.613 -9.790 1.00 0.00 C +HETATM 290 C2 UFX A 25 3.300 47.814 -10.595 1.00 0.00 C +HETATM 291 C3 UFX A 25 2.072 48.476 -11.160 1.00 0.00 C +HETATM 292 O1 UFX A 25 1.501 47.847 -12.298 1.00 0.00 O +HETATM 293 H1 UFX A 25 2.235 46.868 -8.982 1.00 0.00 H +HETATM 294 H2 UFX A 25 2.470 45.862 -10.440 1.00 0.00 H +HETATM 295 H3 UFX A 25 3.710 46.006 -9.349 1.00 0.00 H +HETATM 296 H4 UFX A 25 3.788 48.517 -9.920 1.00 0.00 H +HETATM 297 H5 UFX A 25 3.977 47.519 -11.396 1.00 0.00 H +HETATM 298 H6 UFX A 25 2.317 49.496 -11.457 1.00 0.00 H +HETATM 299 H7 UFX A 25 1.307 48.521 -10.384 1.00 0.00 H +HETATM 300 H8 UFX A 25 2.014 48.003 -13.120 1.00 0.00 H +HETATM 301 C1 UFX A 26 30.614 33.400 25.326 1.00 0.00 C +HETATM 302 C2 UFX A 26 31.711 32.763 24.369 1.00 0.00 C +HETATM 303 C3 UFX A 26 31.477 33.063 22.902 1.00 0.00 C +HETATM 304 O1 UFX A 26 30.386 32.307 22.373 1.00 0.00 O +HETATM 305 H1 UFX A 26 29.631 33.201 24.899 1.00 0.00 H +HETATM 306 H2 UFX A 26 30.595 32.939 26.314 1.00 0.00 H +HETATM 307 H3 UFX A 26 30.729 34.482 25.397 1.00 0.00 H +HETATM 308 H4 UFX A 26 32.719 33.078 24.639 1.00 0.00 H +HETATM 309 H5 UFX A 26 31.658 31.690 24.558 1.00 0.00 H +HETATM 310 H6 UFX A 26 32.394 32.764 22.394 1.00 0.00 H +HETATM 311 H7 UFX A 26 31.401 34.141 22.758 1.00 0.00 H +HETATM 312 H8 UFX A 26 30.507 31.339 22.482 1.00 0.00 H +HETATM 313 C1 UFX A 27 9.888 0.804 19.864 1.00 0.00 C +HETATM 314 C2 UFX A 27 10.794 1.877 19.236 1.00 0.00 C +HETATM 315 C3 UFX A 27 10.055 2.710 18.208 1.00 0.00 C +HETATM 316 O1 UFX A 27 10.930 3.789 17.785 1.00 0.00 O +HETATM 317 H1 UFX A 27 9.408 0.176 19.113 1.00 0.00 H +HETATM 318 H2 UFX A 27 10.451 0.169 20.548 1.00 0.00 H +HETATM 319 H3 UFX A 27 9.037 1.261 20.369 1.00 0.00 H +HETATM 320 H4 UFX A 27 11.184 2.554 19.997 1.00 0.00 H +HETATM 321 H5 UFX A 27 11.586 1.432 18.635 1.00 0.00 H +HETATM 322 H6 UFX A 27 9.183 3.158 18.684 1.00 0.00 H +HETATM 323 H7 UFX A 27 9.801 2.046 17.381 1.00 0.00 H +HETATM 324 H8 UFX A 27 11.193 4.315 18.570 1.00 0.00 H +HETATM 325 C1 UFX A 28 14.771 41.394 31.179 1.00 0.00 C +HETATM 326 C2 UFX A 28 13.402 40.734 31.163 1.00 0.00 C +HETATM 327 C3 UFX A 28 13.635 39.209 30.966 1.00 0.00 C +HETATM 328 O1 UFX A 28 12.369 38.554 30.919 1.00 0.00 O +HETATM 329 H1 UFX A 28 15.187 41.308 30.175 1.00 0.00 H +HETATM 330 H2 UFX A 28 14.723 42.444 31.467 1.00 0.00 H +HETATM 331 H3 UFX A 28 15.519 41.020 31.878 1.00 0.00 H +HETATM 332 H4 UFX A 28 12.852 40.919 32.085 1.00 0.00 H +HETATM 333 H5 UFX A 28 12.730 41.162 30.419 1.00 0.00 H +HETATM 334 H6 UFX A 28 14.222 38.823 31.800 1.00 0.00 H +HETATM 335 H7 UFX A 28 14.187 38.923 30.070 1.00 0.00 H +HETATM 336 H8 UFX A 28 11.668 39.193 30.671 1.00 0.00 H +HETATM 337 C1 UFX A 29 39.798 52.335 -6.817 1.00 0.00 C +HETATM 338 C2 UFX A 29 40.487 51.783 -5.606 1.00 0.00 C +HETATM 339 C3 UFX A 29 41.588 50.821 -5.995 1.00 0.00 C +HETATM 340 O1 UFX A 29 40.961 49.677 -6.566 1.00 0.00 O +HETATM 341 H1 UFX A 29 38.956 52.966 -6.532 1.00 0.00 H +HETATM 342 H2 UFX A 29 40.478 52.879 -7.473 1.00 0.00 H +HETATM 343 H3 UFX A 29 39.348 51.561 -7.439 1.00 0.00 H +HETATM 344 H4 UFX A 29 40.947 52.557 -4.992 1.00 0.00 H +HETATM 345 H5 UFX A 29 39.754 51.286 -4.969 1.00 0.00 H +HETATM 346 H6 UFX A 29 42.179 50.580 -5.111 1.00 0.00 H +HETATM 347 H7 UFX A 29 42.191 51.403 -6.692 1.00 0.00 H +HETATM 348 H8 UFX A 29 40.160 49.407 -6.067 1.00 0.00 H +HETATM 349 C1 UFX A 30 34.894 17.644 8.668 1.00 0.00 C +HETATM 350 C2 UFX A 30 33.939 17.212 7.482 1.00 0.00 C +HETATM 351 C3 UFX A 30 34.472 17.868 6.174 1.00 0.00 C +HETATM 352 O1 UFX A 30 33.889 17.245 5.041 1.00 0.00 O +HETATM 353 H1 UFX A 30 35.242 18.656 8.461 1.00 0.00 H +HETATM 354 H2 UFX A 30 34.361 17.598 9.618 1.00 0.00 H +HETATM 355 H3 UFX A 30 35.820 17.068 8.647 1.00 0.00 H +HETATM 356 H4 UFX A 30 33.962 16.124 7.422 1.00 0.00 H +HETATM 357 H5 UFX A 30 32.901 17.464 7.699 1.00 0.00 H +HETATM 358 H6 UFX A 30 35.547 17.687 6.142 1.00 0.00 H +HETATM 359 H7 UFX A 30 34.324 18.948 6.165 1.00 0.00 H +HETATM 360 H8 UFX A 30 34.403 16.424 4.885 1.00 0.00 H +HETATM 361 C1 UFX A 31 19.060 33.014 5.466 1.00 0.00 C +HETATM 362 C2 UFX A 31 20.251 32.909 6.466 1.00 0.00 C +HETATM 363 C3 UFX A 31 19.982 32.226 7.873 1.00 0.00 C +HETATM 364 O1 UFX A 31 18.658 32.622 8.258 1.00 0.00 O +HETATM 365 H1 UFX A 31 18.247 33.586 5.913 1.00 0.00 H +HETATM 366 H2 UFX A 31 19.479 33.362 4.522 1.00 0.00 H +HETATM 367 H3 UFX A 31 18.670 32.021 5.241 1.00 0.00 H +HETATM 368 H4 UFX A 31 21.064 32.359 5.992 1.00 0.00 H +HETATM 369 H5 UFX A 31 20.558 33.917 6.745 1.00 0.00 H +HETATM 370 H6 UFX A 31 20.715 32.606 8.585 1.00 0.00 H +HETATM 371 H7 UFX A 31 20.094 31.151 7.730 1.00 0.00 H +HETATM 372 H8 UFX A 31 18.632 33.584 8.446 1.00 0.00 H +HETATM 373 C1 UFX A 32 30.614 30.094 38.893 1.00 0.00 C +HETATM 374 C2 UFX A 32 31.086 31.552 38.937 1.00 0.00 C +HETATM 375 C3 UFX A 32 29.969 32.544 38.413 1.00 0.00 C +HETATM 376 O1 UFX A 32 29.550 32.230 37.024 1.00 0.00 O +HETATM 377 H1 UFX A 32 30.209 29.924 37.895 1.00 0.00 H +HETATM 378 H2 UFX A 32 31.417 29.401 39.145 1.00 0.00 H +HETATM 379 H3 UFX A 32 29.839 29.976 39.651 1.00 0.00 H +HETATM 380 H4 UFX A 32 31.515 31.755 39.919 1.00 0.00 H +HETATM 381 H5 UFX A 32 31.922 31.721 38.259 1.00 0.00 H +HETATM 382 H6 UFX A 32 30.333 33.572 38.397 1.00 0.00 H +HETATM 383 H7 UFX A 32 29.125 32.649 39.094 1.00 0.00 H +HETATM 384 H8 UFX A 32 30.344 32.211 36.449 1.00 0.00 H +HETATM 385 C1 UFX A 33 4.750 48.635 33.562 1.00 0.00 C +HETATM 386 C2 UFX A 33 6.038 48.101 34.142 1.00 0.00 C +HETATM 387 C3 UFX A 33 5.937 48.242 35.649 1.00 0.00 C +HETATM 388 O1 UFX A 33 4.851 47.421 36.092 1.00 0.00 O +HETATM 389 H1 UFX A 33 3.952 47.899 33.668 1.00 0.00 H +HETATM 390 H2 UFX A 33 4.440 49.548 34.070 1.00 0.00 H +HETATM 391 H3 UFX A 33 4.925 48.894 32.518 1.00 0.00 H +HETATM 392 H4 UFX A 33 6.048 47.028 33.950 1.00 0.00 H +HETATM 393 H5 UFX A 33 6.902 48.630 33.741 1.00 0.00 H +HETATM 394 H6 UFX A 33 5.579 49.221 35.967 1.00 0.00 H +HETATM 395 H7 UFX A 33 6.847 47.983 36.189 1.00 0.00 H +HETATM 396 H8 UFX A 33 4.854 46.532 35.677 1.00 0.00 H +HETATM 397 C1 UFX A 34 15.439 33.631 16.077 1.00 0.00 C +HETATM 398 C2 UFX A 34 14.018 33.200 16.466 1.00 0.00 C +HETATM 399 C3 UFX A 34 13.050 33.990 15.563 1.00 0.00 C +HETATM 400 O1 UFX A 34 11.776 33.488 15.814 1.00 0.00 O +HETATM 401 H1 UFX A 34 15.688 33.299 15.069 1.00 0.00 H +HETATM 402 H2 UFX A 34 15.555 34.706 16.215 1.00 0.00 H +HETATM 403 H3 UFX A 34 16.193 33.277 16.780 1.00 0.00 H +HETATM 404 H4 UFX A 34 13.814 32.148 16.269 1.00 0.00 H +HETATM 405 H5 UFX A 34 13.779 33.466 17.496 1.00 0.00 H +HETATM 406 H6 UFX A 34 13.296 33.828 14.513 1.00 0.00 H +HETATM 407 H7 UFX A 34 13.212 35.045 15.782 1.00 0.00 H +HETATM 408 H8 UFX A 34 11.425 33.838 16.661 1.00 0.00 H +HETATM 409 C1 UFX A 35 -12.057 32.862 26.944 1.00 0.00 C +HETATM 410 C2 UFX A 35 -12.799 32.699 25.678 1.00 0.00 C +HETATM 411 C3 UFX A 35 -12.754 31.270 24.991 1.00 0.00 C +HETATM 412 O1 UFX A 35 -13.384 30.284 25.772 1.00 0.00 O +HETATM 413 H1 UFX A 35 -11.030 32.531 26.783 1.00 0.00 H +HETATM 414 H2 UFX A 35 -12.052 33.913 27.231 1.00 0.00 H +HETATM 415 H3 UFX A 35 -12.564 32.273 27.709 1.00 0.00 H +HETATM 416 H4 UFX A 35 -13.860 32.914 25.812 1.00 0.00 H +HETATM 417 H5 UFX A 35 -12.379 33.389 24.946 1.00 0.00 H +HETATM 418 H6 UFX A 35 -11.728 30.964 24.784 1.00 0.00 H +HETATM 419 H7 UFX A 35 -13.240 31.345 24.018 1.00 0.00 H +HETATM 420 H8 UFX A 35 -12.932 30.112 26.625 1.00 0.00 H +HETATM 421 C1 UFX A 36 16.536 21.491 2.330 1.00 0.00 C +HETATM 422 C2 UFX A 36 15.277 21.871 1.493 1.00 0.00 C +HETATM 423 C3 UFX A 36 14.028 21.105 2.053 1.00 0.00 C +HETATM 424 O1 UFX A 36 13.698 21.467 3.429 1.00 0.00 O +HETATM 425 H1 UFX A 36 16.480 20.418 2.518 1.00 0.00 H +HETATM 426 H2 UFX A 36 17.496 21.641 1.835 1.00 0.00 H +HETATM 427 H3 UFX A 36 16.649 21.978 3.298 1.00 0.00 H +HETATM 428 H4 UFX A 36 15.140 22.952 1.471 1.00 0.00 H +HETATM 429 H5 UFX A 36 15.497 21.550 0.475 1.00 0.00 H +HETATM 430 H6 UFX A 36 14.084 20.033 1.864 1.00 0.00 H +HETATM 431 H7 UFX A 36 13.160 21.334 1.435 1.00 0.00 H +HETATM 432 H8 UFX A 36 14.443 21.346 4.056 1.00 0.00 H +HETATM 433 C1 UFX A 37 11.140 12.835 28.246 1.00 0.00 C +HETATM 434 C2 UFX A 37 10.800 11.469 27.635 1.00 0.00 C +HETATM 435 C3 UFX A 37 9.433 11.017 27.987 1.00 0.00 C +HETATM 436 O1 UFX A 37 9.209 11.003 29.422 1.00 0.00 O +HETATM 437 H1 UFX A 37 12.115 13.224 27.951 1.00 0.00 H +HETATM 438 H2 UFX A 37 10.424 13.613 27.981 1.00 0.00 H +HETATM 439 H3 UFX A 37 11.222 12.782 29.331 1.00 0.00 H +HETATM 440 H4 UFX A 37 10.907 11.522 26.552 1.00 0.00 H +HETATM 441 H5 UFX A 37 11.601 10.786 27.919 1.00 0.00 H +HETATM 442 H6 UFX A 37 9.144 10.077 27.515 1.00 0.00 H +HETATM 443 H7 UFX A 37 8.711 11.677 27.506 1.00 0.00 H +HETATM 444 H8 UFX A 37 9.421 11.825 29.913 1.00 0.00 H +HETATM 445 C1 UFX A 38 -16.212 2.585 35.020 1.00 0.00 C +HETATM 446 C2 UFX A 38 -15.825 2.613 33.536 1.00 0.00 C +HETATM 447 C3 UFX A 38 -17.064 3.176 32.677 1.00 0.00 C +HETATM 448 O1 UFX A 38 -16.824 3.036 31.273 1.00 0.00 O +HETATM 449 H1 UFX A 38 -15.416 2.038 35.526 1.00 0.00 H +HETATM 450 H2 UFX A 38 -16.463 3.565 35.426 1.00 0.00 H +HETATM 451 H3 UFX A 38 -17.057 1.922 35.207 1.00 0.00 H +HETATM 452 H4 UFX A 38 -14.958 3.265 33.427 1.00 0.00 H +HETATM 453 H5 UFX A 38 -15.440 1.633 33.255 1.00 0.00 H +HETATM 454 H6 UFX A 38 -17.234 4.240 32.838 1.00 0.00 H +HETATM 455 H7 UFX A 38 -18.010 2.670 32.872 1.00 0.00 H +HETATM 456 H8 UFX A 38 -17.381 3.637 30.734 1.00 0.00 H +HETATM 457 C1 UFX A 39 7.675 26.754 1.466 1.00 0.00 C +HETATM 458 C2 UFX A 39 8.896 26.675 0.571 1.00 0.00 C +HETATM 459 C3 UFX A 39 9.331 27.960 -0.168 1.00 0.00 C +HETATM 460 O1 UFX A 39 8.398 28.250 -1.194 1.00 0.00 O +HETATM 461 H1 UFX A 39 7.367 25.773 1.829 1.00 0.00 H +HETATM 462 H2 UFX A 39 7.911 27.339 2.355 1.00 0.00 H +HETATM 463 H3 UFX A 39 6.952 27.398 0.965 1.00 0.00 H +HETATM 464 H4 UFX A 39 9.645 26.252 1.240 1.00 0.00 H +HETATM 465 H5 UFX A 39 8.755 25.861 -0.142 1.00 0.00 H +HETATM 466 H6 UFX A 39 10.281 27.602 -0.564 1.00 0.00 H +HETATM 467 H7 UFX A 39 9.360 28.766 0.566 1.00 0.00 H +HETATM 468 H8 UFX A 39 8.752 28.997 -1.723 1.00 0.00 H +HETATM 469 C1 UFX A 40 34.610 30.070 37.026 1.00 0.00 C +HETATM 470 C2 UFX A 40 36.020 30.330 36.479 1.00 0.00 C +HETATM 471 C3 UFX A 40 36.576 29.139 35.821 1.00 0.00 C +HETATM 472 O1 UFX A 40 35.650 28.879 34.710 1.00 0.00 O +HETATM 473 H1 UFX A 40 34.363 30.965 37.597 1.00 0.00 H +HETATM 474 H2 UFX A 40 33.840 29.928 36.267 1.00 0.00 H +HETATM 475 H3 UFX A 40 34.706 29.180 37.649 1.00 0.00 H +HETATM 476 H4 UFX A 40 36.232 31.267 35.963 1.00 0.00 H +HETATM 477 H5 UFX A 40 36.575 30.481 37.406 1.00 0.00 H +HETATM 478 H6 UFX A 40 36.587 28.277 36.488 1.00 0.00 H +HETATM 479 H7 UFX A 40 37.577 29.299 35.419 1.00 0.00 H +HETATM 480 H8 UFX A 40 35.328 27.954 34.663 1.00 0.00 H +HETATM 481 C1 UFX A 41 -4.943 30.813 38.169 1.00 0.00 C +HETATM 482 C2 UFX A 41 -6.006 31.904 37.991 1.00 0.00 C +HETATM 483 C3 UFX A 41 -5.503 33.354 37.822 1.00 0.00 C +HETATM 484 O1 UFX A 41 -4.532 33.343 36.770 1.00 0.00 O +HETATM 485 H1 UFX A 41 -5.440 29.856 38.326 1.00 0.00 H +HETATM 486 H2 UFX A 41 -4.389 30.703 37.236 1.00 0.00 H +HETATM 487 H3 UFX A 41 -4.213 31.043 38.946 1.00 0.00 H +HETATM 488 H4 UFX A 41 -6.590 31.611 37.118 1.00 0.00 H +HETATM 489 H5 UFX A 41 -6.751 31.856 38.785 1.00 0.00 H +HETATM 490 H6 UFX A 41 -5.137 33.747 38.771 1.00 0.00 H +HETATM 491 H7 UFX A 41 -6.356 33.995 37.596 1.00 0.00 H +HETATM 492 H8 UFX A 41 -3.813 32.681 36.856 1.00 0.00 H +HETATM 493 C1 UFX A 42 14.467 10.739 23.281 1.00 0.00 C +HETATM 494 C2 UFX A 42 15.537 11.836 23.535 1.00 0.00 C +HETATM 495 C3 UFX A 42 15.987 11.772 25.011 1.00 0.00 C +HETATM 496 O1 UFX A 42 16.894 10.587 25.120 1.00 0.00 O +HETATM 497 H1 UFX A 42 13.541 11.074 23.749 1.00 0.00 H +HETATM 498 H2 UFX A 42 14.199 10.512 22.249 1.00 0.00 H +HETATM 499 H3 UFX A 42 14.775 9.824 23.787 1.00 0.00 H +HETATM 500 H4 UFX A 42 16.372 11.579 22.884 1.00 0.00 H +HETATM 501 H5 UFX A 42 15.242 12.850 23.267 1.00 0.00 H +HETATM 502 H6 UFX A 42 15.145 11.714 25.702 1.00 0.00 H +HETATM 503 H7 UFX A 42 16.481 12.717 25.236 1.00 0.00 H +HETATM 504 H8 UFX A 42 17.483 10.458 24.346 1.00 0.00 H +HETATM 505 C1 UFX A 43 12.909 29.785 32.165 1.00 0.00 C +HETATM 506 C2 UFX A 43 12.894 30.215 30.649 1.00 0.00 C +HETATM 507 C3 UFX A 43 11.846 31.387 30.505 1.00 0.00 C +HETATM 508 O1 UFX A 43 11.640 31.712 29.151 1.00 0.00 O +HETATM 509 H1 UFX A 43 12.875 30.668 32.803 1.00 0.00 H +HETATM 510 H2 UFX A 43 11.979 29.233 32.307 1.00 0.00 H +HETATM 511 H3 UFX A 43 13.802 29.222 32.436 1.00 0.00 H +HETATM 512 H4 UFX A 43 13.831 30.564 30.215 1.00 0.00 H +HETATM 513 H5 UFX A 43 12.530 29.328 30.130 1.00 0.00 H +HETATM 514 H6 UFX A 43 12.127 32.301 31.028 1.00 0.00 H +HETATM 515 H7 UFX A 43 10.904 31.139 30.995 1.00 0.00 H +HETATM 516 H8 UFX A 43 12.146 31.109 28.566 1.00 0.00 H +HETATM 517 C1 UFX A 44 -23.879 13.025 1.898 1.00 0.00 C +HETATM 518 C2 UFX A 44 -23.451 11.646 1.433 1.00 0.00 C +HETATM 519 C3 UFX A 44 -21.975 11.629 1.058 1.00 0.00 C +HETATM 520 O1 UFX A 44 -21.848 12.505 -0.013 1.00 0.00 O +HETATM 521 H1 UFX A 44 -23.119 13.471 2.539 1.00 0.00 H +HETATM 522 H2 UFX A 44 -23.941 13.735 1.073 1.00 0.00 H +HETATM 523 H3 UFX A 44 -24.864 12.919 2.352 1.00 0.00 H +HETATM 524 H4 UFX A 44 -23.645 10.940 2.240 1.00 0.00 H +HETATM 525 H5 UFX A 44 -24.063 11.360 0.577 1.00 0.00 H +HETATM 526 H6 UFX A 44 -21.711 10.642 0.679 1.00 0.00 H +HETATM 527 H7 UFX A 44 -21.336 11.974 1.871 1.00 0.00 H +HETATM 528 H8 UFX A 44 -21.211 13.206 0.238 1.00 0.00 H +HETATM 529 C1 UFX A 45 19.483 13.348 26.541 1.00 0.00 C +HETATM 530 C2 UFX A 45 19.981 14.200 25.377 1.00 0.00 C +HETATM 531 C3 UFX A 45 20.242 13.364 24.110 1.00 0.00 C +HETATM 532 O1 UFX A 45 19.008 13.043 23.493 1.00 0.00 O +HETATM 533 H1 UFX A 45 20.198 12.570 26.810 1.00 0.00 H +HETATM 534 H2 UFX A 45 19.206 13.938 27.414 1.00 0.00 H +HETATM 535 H3 UFX A 45 18.589 12.842 26.178 1.00 0.00 H +HETATM 536 H4 UFX A 45 19.282 15.013 25.180 1.00 0.00 H +HETATM 537 H5 UFX A 45 20.920 14.587 25.771 1.00 0.00 H +HETATM 538 H6 UFX A 45 20.727 12.485 24.535 1.00 0.00 H +HETATM 539 H7 UFX A 45 20.920 13.860 23.415 1.00 0.00 H +HETATM 540 H8 UFX A 45 18.719 13.628 22.760 1.00 0.00 H +HETATM 541 C1 UFX A 46 -6.821 24.534 -4.857 1.00 0.00 C +HETATM 542 C2 UFX A 46 -6.012 25.830 -4.397 1.00 0.00 C +HETATM 543 C3 UFX A 46 -6.043 25.986 -2.871 1.00 0.00 C +HETATM 544 O1 UFX A 46 -5.190 27.042 -2.504 1.00 0.00 O +HETATM 545 H1 UFX A 46 -7.872 24.445 -4.582 1.00 0.00 H +HETATM 546 H2 UFX A 46 -6.849 24.462 -5.944 1.00 0.00 H +HETATM 547 H3 UFX A 46 -6.206 23.670 -4.605 1.00 0.00 H +HETATM 548 H4 UFX A 46 -4.988 25.892 -4.766 1.00 0.00 H +HETATM 549 H5 UFX A 46 -6.505 26.722 -4.782 1.00 0.00 H +HETATM 550 H6 UFX A 46 -5.674 25.087 -2.376 1.00 0.00 H +HETATM 551 H7 UFX A 46 -7.063 26.154 -2.524 1.00 0.00 H +HETATM 552 H8 UFX A 46 -5.350 27.904 -2.944 1.00 0.00 H +HETATM 553 C1 UFX A 47 29.620 29.830 15.018 1.00 0.00 C +HETATM 554 C2 UFX A 47 28.243 29.342 14.450 1.00 0.00 C +HETATM 555 C3 UFX A 47 27.822 30.140 13.305 1.00 0.00 C +HETATM 556 O1 UFX A 47 26.468 30.057 13.066 1.00 0.00 O +HETATM 557 H1 UFX A 47 29.401 30.802 15.461 1.00 0.00 H +HETATM 558 H2 UFX A 47 30.008 29.243 15.851 1.00 0.00 H +HETATM 559 H3 UFX A 47 30.362 29.904 14.223 1.00 0.00 H +HETATM 560 H4 UFX A 47 28.220 28.289 14.169 1.00 0.00 H +HETATM 561 H5 UFX A 47 27.501 29.320 15.248 1.00 0.00 H +HETATM 562 H6 UFX A 47 28.442 29.975 12.424 1.00 0.00 H +HETATM 563 H7 UFX A 47 28.048 31.170 13.583 1.00 0.00 H +HETATM 564 H8 UFX A 47 25.902 30.550 13.698 1.00 0.00 H +HETATM 565 C1 UFX A 48 -0.446 54.216 19.328 1.00 0.00 C +HETATM 566 C2 UFX A 48 0.321 53.795 18.078 1.00 0.00 C +HETATM 567 C3 UFX A 48 0.419 52.286 18.014 1.00 0.00 C +HETATM 568 O1 UFX A 48 1.228 51.718 19.038 1.00 0.00 O +HETATM 569 H1 UFX A 48 -0.652 55.285 19.381 1.00 0.00 H +HETATM 570 H2 UFX A 48 -1.434 53.764 19.417 1.00 0.00 H +HETATM 571 H3 UFX A 48 0.189 54.021 20.193 1.00 0.00 H +HETATM 572 H4 UFX A 48 -0.193 54.152 17.185 1.00 0.00 H +HETATM 573 H5 UFX A 48 1.338 54.187 18.088 1.00 0.00 H +HETATM 574 H6 UFX A 48 0.787 52.020 17.023 1.00 0.00 H +HETATM 575 H7 UFX A 48 -0.586 51.866 18.060 1.00 0.00 H +HETATM 576 H8 UFX A 48 1.210 50.739 18.979 1.00 0.00 H +HETATM 577 C1 UFX A 49 -23.884 6.934 29.061 1.00 0.00 C +HETATM 578 C2 UFX A 49 -23.772 7.618 30.419 1.00 0.00 C +HETATM 579 C3 UFX A 49 -22.385 7.610 30.955 1.00 0.00 C +HETATM 580 O1 UFX A 49 -21.580 8.450 30.074 1.00 0.00 O +HETATM 581 H1 UFX A 49 -24.882 6.955 28.622 1.00 0.00 H +HETATM 582 H2 UFX A 49 -23.317 7.432 28.274 1.00 0.00 H +HETATM 583 H3 UFX A 49 -23.555 5.896 29.091 1.00 0.00 H +HETATM 584 H4 UFX A 49 -23.981 8.672 30.236 1.00 0.00 H +HETATM 585 H5 UFX A 49 -24.521 7.204 31.095 1.00 0.00 H +HETATM 586 H6 UFX A 49 -21.926 6.621 30.972 1.00 0.00 H +HETATM 587 H7 UFX A 49 -22.288 8.059 31.944 1.00 0.00 H +HETATM 588 H8 UFX A 49 -22.061 9.289 29.908 1.00 0.00 H +HETATM 589 C1 UFX A 50 3.836 36.350 27.491 1.00 0.00 C +HETATM 590 C2 UFX A 50 4.742 36.900 26.344 1.00 0.00 C +HETATM 591 C3 UFX A 50 4.179 38.203 25.709 1.00 0.00 C +HETATM 592 O1 UFX A 50 3.991 39.153 26.685 1.00 0.00 O +HETATM 593 H1 UFX A 50 4.241 35.396 27.831 1.00 0.00 H +HETATM 594 H2 UFX A 50 3.876 36.967 28.389 1.00 0.00 H +HETATM 595 H3 UFX A 50 2.830 36.197 27.102 1.00 0.00 H +HETATM 596 H4 UFX A 50 5.781 37.001 26.656 1.00 0.00 H +HETATM 597 H5 UFX A 50 4.703 36.120 25.583 1.00 0.00 H +HETATM 598 H6 UFX A 50 3.226 38.057 25.199 1.00 0.00 H +HETATM 599 H7 UFX A 50 4.818 38.523 24.886 1.00 0.00 H +HETATM 600 H8 UFX A 50 3.296 38.830 27.298 1.00 0.00 H +HETATM 601 C1 UFX A 51 25.679 44.000 8.954 1.00 0.00 C +HETATM 602 C2 UFX A 51 25.163 42.619 8.446 1.00 0.00 C +HETATM 603 C3 UFX A 51 23.779 42.775 7.746 1.00 0.00 C +HETATM 604 O1 UFX A 51 22.797 43.115 8.739 1.00 0.00 O +HETATM 605 H1 UFX A 51 26.713 43.896 9.285 1.00 0.00 H +HETATM 606 H2 UFX A 51 25.627 44.755 8.169 1.00 0.00 H +HETATM 607 H3 UFX A 51 25.056 44.414 9.747 1.00 0.00 H +HETATM 608 H4 UFX A 51 25.939 42.184 7.817 1.00 0.00 H +HETATM 609 H5 UFX A 51 25.051 41.881 9.241 1.00 0.00 H +HETATM 610 H6 UFX A 51 23.525 41.789 7.356 1.00 0.00 H +HETATM 611 H7 UFX A 51 23.783 43.485 6.919 1.00 0.00 H +HETATM 612 H8 UFX A 51 22.985 43.998 9.123 1.00 0.00 H +HETATM 613 C1 UFX A 52 -6.452 40.269 4.797 1.00 0.00 C +HETATM 614 C2 UFX A 52 -5.439 41.313 4.469 1.00 0.00 C +HETATM 615 C3 UFX A 52 -6.061 42.714 4.694 1.00 0.00 C +HETATM 616 O1 UFX A 52 -5.056 43.582 4.226 1.00 0.00 O +HETATM 617 H1 UFX A 52 -6.050 39.257 4.734 1.00 0.00 H +HETATM 618 H2 UFX A 52 -6.828 40.502 5.793 1.00 0.00 H +HETATM 619 H3 UFX A 52 -7.278 40.390 4.096 1.00 0.00 H +HETATM 620 H4 UFX A 52 -4.628 41.245 5.195 1.00 0.00 H +HETATM 621 H5 UFX A 52 -5.095 41.153 3.447 1.00 0.00 H +HETATM 622 H6 UFX A 52 -6.217 42.815 5.768 1.00 0.00 H +HETATM 623 H7 UFX A 52 -7.020 42.831 4.190 1.00 0.00 H +HETATM 624 H8 UFX A 52 -4.985 43.548 3.248 1.00 0.00 H +HETATM 625 C1 UFX A 53 12.124 24.805 22.373 1.00 0.00 C +HETATM 626 C2 UFX A 53 13.117 24.365 21.207 1.00 0.00 C +HETATM 627 C3 UFX A 53 14.082 25.598 20.913 1.00 0.00 C +HETATM 628 O1 UFX A 53 15.251 25.619 21.858 1.00 0.00 O +HETATM 629 H1 UFX A 53 11.392 25.545 22.048 1.00 0.00 H +HETATM 630 H2 UFX A 53 11.649 23.985 22.912 1.00 0.00 H +HETATM 631 H3 UFX A 53 12.678 25.391 23.106 1.00 0.00 H +HETATM 632 H4 UFX A 53 13.710 23.479 21.436 1.00 0.00 H +HETATM 633 H5 UFX A 53 12.574 24.206 20.275 1.00 0.00 H +HETATM 634 H6 UFX A 53 13.460 26.486 21.030 1.00 0.00 H +HETATM 635 H7 UFX A 53 14.402 25.485 19.877 1.00 0.00 H +HETATM 636 H8 UFX A 53 15.888 24.898 21.669 1.00 0.00 H +HETATM 637 C1 UFX A 54 24.164 19.039 5.330 1.00 0.00 C +HETATM 638 C2 UFX A 54 24.032 18.523 3.893 1.00 0.00 C +HETATM 639 C3 UFX A 54 25.110 19.153 3.009 1.00 0.00 C +HETATM 640 O1 UFX A 54 24.880 18.556 1.670 1.00 0.00 O +HETATM 641 H1 UFX A 54 24.281 20.122 5.356 1.00 0.00 H +HETATM 642 H2 UFX A 54 23.304 18.644 5.871 1.00 0.00 H +HETATM 643 H3 UFX A 54 25.005 18.499 5.767 1.00 0.00 H +HETATM 644 H4 UFX A 54 24.089 17.434 3.875 1.00 0.00 H +HETATM 645 H5 UFX A 54 23.061 18.846 3.519 1.00 0.00 H +HETATM 646 H6 UFX A 54 26.099 18.955 3.421 1.00 0.00 H +HETATM 647 H7 UFX A 54 24.895 20.221 2.970 1.00 0.00 H +HETATM 648 H8 UFX A 54 25.579 18.841 1.044 1.00 0.00 H +HETATM 649 C1 UFX A 55 33.387 18.730 -5.233 1.00 0.00 C +HETATM 650 C2 UFX A 55 34.558 18.991 -6.142 1.00 0.00 C +HETATM 651 C3 UFX A 55 35.836 19.558 -5.260 1.00 0.00 C +HETATM 652 O1 UFX A 55 36.105 18.513 -4.284 1.00 0.00 O +HETATM 653 H1 UFX A 55 32.581 18.309 -5.835 1.00 0.00 H +HETATM 654 H2 UFX A 55 33.717 17.886 -4.629 1.00 0.00 H +HETATM 655 H3 UFX A 55 33.211 19.651 -4.677 1.00 0.00 H +HETATM 656 H4 UFX A 55 34.849 18.047 -6.603 1.00 0.00 H +HETATM 657 H5 UFX A 55 34.345 19.592 -7.027 1.00 0.00 H +HETATM 658 H6 UFX A 55 35.695 20.523 -4.773 1.00 0.00 H +HETATM 659 H7 UFX A 55 36.592 19.700 -6.033 1.00 0.00 H +HETATM 660 H8 UFX A 55 35.522 18.516 -3.494 1.00 0.00 H +HETATM 661 C1 UFX A 56 2.265 29.808 -9.158 1.00 0.00 C +HETATM 662 C2 UFX A 56 2.858 30.018 -10.608 1.00 0.00 C +HETATM 663 C3 UFX A 56 4.203 29.213 -10.746 1.00 0.00 C +HETATM 664 O1 UFX A 56 3.921 27.863 -10.433 1.00 0.00 O +HETATM 665 H1 UFX A 56 2.139 28.748 -8.936 1.00 0.00 H +HETATM 666 H2 UFX A 56 2.914 30.226 -8.388 1.00 0.00 H +HETATM 667 H3 UFX A 56 1.298 30.297 -9.033 1.00 0.00 H +HETATM 668 H4 UFX A 56 2.193 29.825 -11.451 1.00 0.00 H +HETATM 669 H5 UFX A 56 3.173 31.047 -10.778 1.00 0.00 H +HETATM 670 H6 UFX A 56 4.963 29.623 -10.080 1.00 0.00 H +HETATM 671 H7 UFX A 56 4.567 29.326 -11.768 1.00 0.00 H +HETATM 672 H8 UFX A 56 4.730 27.308 -10.399 1.00 0.00 H +HETATM 673 C1 UFX A 57 10.477 34.102 34.014 1.00 0.00 C +HETATM 674 C2 UFX A 57 9.433 33.357 34.791 1.00 0.00 C +HETATM 675 C3 UFX A 57 8.769 32.210 34.013 1.00 0.00 C +HETATM 676 O1 UFX A 57 7.893 32.712 32.974 1.00 0.00 O +HETATM 677 H1 UFX A 57 10.771 35.046 34.475 1.00 0.00 H +HETATM 678 H2 UFX A 57 11.233 33.400 33.664 1.00 0.00 H +HETATM 679 H3 UFX A 57 10.056 34.494 33.088 1.00 0.00 H +HETATM 680 H4 UFX A 57 9.791 32.971 35.746 1.00 0.00 H +HETATM 681 H5 UFX A 57 8.709 34.035 35.244 1.00 0.00 H +HETATM 682 H6 UFX A 57 8.134 31.644 34.695 1.00 0.00 H +HETATM 683 H7 UFX A 57 9.532 31.497 33.699 1.00 0.00 H +HETATM 684 H8 UFX A 57 7.697 31.959 32.377 1.00 0.00 H +HETATM 685 C1 UFX A 58 -15.457 18.218 0.443 1.00 0.00 C +HETATM 686 C2 UFX A 58 -14.814 16.850 0.039 1.00 0.00 C +HETATM 687 C3 UFX A 58 -14.260 16.681 -1.403 1.00 0.00 C +HETATM 688 O1 UFX A 58 -15.336 17.003 -2.278 1.00 0.00 O +HETATM 689 H1 UFX A 58 -14.683 18.981 0.360 1.00 0.00 H +HETATM 690 H2 UFX A 58 -16.362 18.402 -0.136 1.00 0.00 H +HETATM 691 H3 UFX A 58 -15.687 18.191 1.508 1.00 0.00 H +HETATM 692 H4 UFX A 58 -14.082 16.583 0.801 1.00 0.00 H +HETATM 693 H5 UFX A 58 -15.605 16.101 0.077 1.00 0.00 H +HETATM 694 H6 UFX A 58 -13.843 15.686 -1.561 1.00 0.00 H +HETATM 695 H7 UFX A 58 -13.558 17.505 -1.529 1.00 0.00 H +HETATM 696 H8 UFX A 58 -16.110 16.431 -2.084 1.00 0.00 H +HETATM 697 C1 UFX A 59 -7.308 20.055 9.242 1.00 0.00 C +HETATM 698 C2 UFX A 59 -6.758 18.585 9.316 1.00 0.00 C +HETATM 699 C3 UFX A 59 -6.328 18.330 10.813 1.00 0.00 C +HETATM 700 O1 UFX A 59 -6.214 16.904 11.050 1.00 0.00 O +HETATM 701 H1 UFX A 59 -7.754 20.221 8.261 1.00 0.00 H +HETATM 702 H2 UFX A 59 -8.093 20.229 9.977 1.00 0.00 H +HETATM 703 H3 UFX A 59 -6.466 20.722 9.430 1.00 0.00 H +HETATM 704 H4 UFX A 59 -7.552 17.968 8.897 1.00 0.00 H +HETATM 705 H5 UFX A 59 -5.979 18.532 8.556 1.00 0.00 H +HETATM 706 H6 UFX A 59 -7.041 18.740 11.528 1.00 0.00 H +HETATM 707 H7 UFX A 59 -5.370 18.835 10.942 1.00 0.00 H +HETATM 708 H8 UFX A 59 -5.361 16.494 10.789 1.00 0.00 H +HETATM 709 C1 UFX A 60 40.525 8.013 23.402 1.00 0.00 C +HETATM 710 C2 UFX A 60 39.191 8.604 23.087 1.00 0.00 C +HETATM 711 C3 UFX A 60 38.644 9.291 24.299 1.00 0.00 C +HETATM 712 O1 UFX A 60 39.619 10.277 24.723 1.00 0.00 O +HETATM 713 H1 UFX A 60 41.362 8.693 23.241 1.00 0.00 H +HETATM 714 H2 UFX A 60 40.636 7.655 24.426 1.00 0.00 H +HETATM 715 H3 UFX A 60 40.630 7.117 22.791 1.00 0.00 H +HETATM 716 H4 UFX A 60 39.296 9.192 22.175 1.00 0.00 H +HETATM 717 H5 UFX A 60 38.517 7.799 22.795 1.00 0.00 H +HETATM 718 H6 UFX A 60 38.488 8.501 25.034 1.00 0.00 H +HETATM 719 H7 UFX A 60 37.672 9.771 24.189 1.00 0.00 H +HETATM 720 H8 UFX A 60 40.375 9.824 25.154 1.00 0.00 H +HETATM 721 C1 UFX A 61 37.057 -6.160 25.904 1.00 0.00 C +HETATM 722 C2 UFX A 61 36.994 -5.066 26.977 1.00 0.00 C +HETATM 723 C3 UFX A 61 37.618 -3.823 26.431 1.00 0.00 C +HETATM 724 O1 UFX A 61 39.011 -4.055 26.300 1.00 0.00 O +HETATM 725 H1 UFX A 61 36.544 -7.072 26.212 1.00 0.00 H +HETATM 726 H2 UFX A 61 36.550 -5.858 24.987 1.00 0.00 H +HETATM 727 H3 UFX A 61 38.090 -6.414 25.664 1.00 0.00 H +HETATM 728 H4 UFX A 61 35.961 -4.932 27.300 1.00 0.00 H +HETATM 729 H5 UFX A 61 37.496 -5.334 27.907 1.00 0.00 H +HETATM 730 H6 UFX A 61 37.520 -2.958 27.087 1.00 0.00 H +HETATM 731 H7 UFX A 61 37.243 -3.586 25.435 1.00 0.00 H +HETATM 732 H8 UFX A 61 39.440 -4.441 27.093 1.00 0.00 H +HETATM 733 C1 UFX A 62 15.811 43.420 19.002 1.00 0.00 C +HETATM 734 C2 UFX A 62 16.599 44.691 19.475 1.00 0.00 C +HETATM 735 C3 UFX A 62 15.731 46.016 19.329 1.00 0.00 C +HETATM 736 O1 UFX A 62 16.491 47.156 19.695 1.00 0.00 O +HETATM 737 H1 UFX A 62 16.401 42.504 19.024 1.00 0.00 H +HETATM 738 H2 UFX A 62 14.896 43.217 19.559 1.00 0.00 H +HETATM 739 H3 UFX A 62 15.463 43.531 17.974 1.00 0.00 H +HETATM 740 H4 UFX A 62 17.006 44.549 20.476 1.00 0.00 H +HETATM 741 H5 UFX A 62 17.417 44.632 18.758 1.00 0.00 H +HETATM 742 H6 UFX A 62 14.859 45.995 19.983 1.00 0.00 H +HETATM 743 H7 UFX A 62 15.491 46.135 18.272 1.00 0.00 H +HETATM 744 H8 UFX A 62 15.917 47.949 19.757 1.00 0.00 H +HETATM 745 C1 UFX A 63 50.519 5.077 -3.799 1.00 0.00 C +HETATM 746 C2 UFX A 63 48.973 5.161 -3.611 1.00 0.00 C +HETATM 747 C3 UFX A 63 48.617 5.861 -2.244 1.00 0.00 C +HETATM 748 O1 UFX A 63 49.349 7.057 -2.234 1.00 0.00 O +HETATM 749 H1 UFX A 63 50.767 4.603 -4.749 1.00 0.00 H +HETATM 750 H2 UFX A 63 50.933 6.083 -3.731 1.00 0.00 H +HETATM 751 H3 UFX A 63 50.902 4.408 -3.028 1.00 0.00 H +HETATM 752 H4 UFX A 63 48.576 5.747 -4.441 1.00 0.00 H +HETATM 753 H5 UFX A 63 48.543 4.161 -3.550 1.00 0.00 H +HETATM 754 H6 UFX A 63 48.914 5.262 -1.383 1.00 0.00 H +HETATM 755 H7 UFX A 63 47.537 6.001 -2.200 1.00 0.00 H +HETATM 756 H8 UFX A 63 49.160 7.663 -2.982 1.00 0.00 H +HETATM 757 C1 UFX A 64 23.352 11.047 -9.021 1.00 0.00 C +HETATM 758 C2 UFX A 64 24.645 10.156 -8.894 1.00 0.00 C +HETATM 759 C3 UFX A 64 24.561 8.789 -9.607 1.00 0.00 C +HETATM 760 O1 UFX A 64 23.407 8.159 -9.240 1.00 0.00 O +HETATM 761 H1 UFX A 64 23.482 11.993 -8.493 1.00 0.00 H +HETATM 762 H2 UFX A 64 23.220 11.289 -10.076 1.00 0.00 H +HETATM 763 H3 UFX A 64 22.509 10.420 -8.731 1.00 0.00 H +HETATM 764 H4 UFX A 64 25.463 10.680 -9.390 1.00 0.00 H +HETATM 765 H5 UFX A 64 24.911 10.085 -7.839 1.00 0.00 H +HETATM 766 H6 UFX A 64 25.477 8.220 -9.446 1.00 0.00 H +HETATM 767 H7 UFX A 64 24.594 8.997 -10.677 1.00 0.00 H +HETATM 768 H8 UFX A 64 23.341 7.893 -8.298 1.00 0.00 H +HETATM 769 C1 UFX A 65 39.764 4.727 -6.858 1.00 0.00 C +HETATM 770 C2 UFX A 65 41.199 4.367 -7.417 1.00 0.00 C +HETATM 771 C3 UFX A 65 41.095 3.436 -8.700 1.00 0.00 C +HETATM 772 O1 UFX A 65 40.566 4.192 -9.743 1.00 0.00 O +HETATM 773 H1 UFX A 65 39.875 5.233 -5.898 1.00 0.00 H +HETATM 774 H2 UFX A 65 39.270 5.509 -7.435 1.00 0.00 H +HETATM 775 H3 UFX A 65 39.072 3.886 -6.807 1.00 0.00 H +HETATM 776 H4 UFX A 65 41.639 5.333 -7.664 1.00 0.00 H +HETATM 777 H5 UFX A 65 41.811 3.854 -6.674 1.00 0.00 H +HETATM 778 H6 UFX A 65 40.490 2.541 -8.555 1.00 0.00 H +HETATM 779 H7 UFX A 65 42.058 3.004 -8.973 1.00 0.00 H +HETATM 780 H8 UFX A 65 39.767 4.693 -9.474 1.00 0.00 H +HETATM 781 C1 UFX A 66 19.117 22.880 11.354 1.00 0.00 C +HETATM 782 C2 UFX A 66 19.600 24.319 10.910 1.00 0.00 C +HETATM 783 C3 UFX A 66 19.255 25.461 11.887 1.00 0.00 C +HETATM 784 O1 UFX A 66 19.787 25.161 13.242 1.00 0.00 O +HETATM 785 H1 UFX A 66 19.562 22.736 12.339 1.00 0.00 H +HETATM 786 H2 UFX A 66 18.032 22.900 11.455 1.00 0.00 H +HETATM 787 H3 UFX A 66 19.459 21.977 10.847 1.00 0.00 H +HETATM 788 H4 UFX A 66 20.685 24.322 10.812 1.00 0.00 H +HETATM 789 H5 UFX A 66 19.254 24.530 9.898 1.00 0.00 H +HETATM 790 H6 UFX A 66 18.169 25.544 11.943 1.00 0.00 H +HETATM 791 H7 UFX A 66 19.660 26.363 11.429 1.00 0.00 H +HETATM 792 H8 UFX A 66 19.837 26.010 13.729 1.00 0.00 H +HETATM 793 C1 UFX A 67 2.411 24.253 24.108 1.00 0.00 C +HETATM 794 C2 UFX A 67 2.428 24.747 22.742 1.00 0.00 C +HETATM 795 C3 UFX A 67 1.026 24.841 22.133 1.00 0.00 C +HETATM 796 O1 UFX A 67 0.377 26.108 22.362 1.00 0.00 O +HETATM 797 H1 UFX A 67 3.413 24.079 24.501 1.00 0.00 H +HETATM 798 H2 UFX A 67 1.785 24.886 24.736 1.00 0.00 H +HETATM 799 H3 UFX A 67 1.881 23.304 24.187 1.00 0.00 H +HETATM 800 H4 UFX A 67 2.942 25.707 22.692 1.00 0.00 H +HETATM 801 H5 UFX A 67 3.081 24.076 22.185 1.00 0.00 H +HETATM 802 H6 UFX A 67 0.378 24.060 22.531 1.00 0.00 H +HETATM 803 H7 UFX A 67 1.065 24.732 21.049 1.00 0.00 H +HETATM 804 H8 UFX A 67 0.722 26.863 21.839 1.00 0.00 H +HETATM 805 C1 UFX A 68 16.091 56.028 17.717 1.00 0.00 C +HETATM 806 C2 UFX A 68 16.643 55.161 16.598 1.00 0.00 C +HETATM 807 C3 UFX A 68 17.358 56.055 15.592 1.00 0.00 C +HETATM 808 O1 UFX A 68 18.071 55.251 14.655 1.00 0.00 O +HETATM 809 H1 UFX A 68 15.304 56.718 17.412 1.00 0.00 H +HETATM 810 H2 UFX A 68 15.607 55.432 18.491 1.00 0.00 H +HETATM 811 H3 UFX A 68 16.948 56.495 18.202 1.00 0.00 H +HETATM 812 H4 UFX A 68 17.444 54.465 16.850 1.00 0.00 H +HETATM 813 H5 UFX A 68 15.844 54.600 16.114 1.00 0.00 H +HETATM 814 H6 UFX A 68 18.102 56.628 16.146 1.00 0.00 H +HETATM 815 H7 UFX A 68 16.631 56.722 15.129 1.00 0.00 H +HETATM 816 H8 UFX A 68 18.698 55.780 14.116 1.00 0.00 H +HETATM 817 C1 UFX A 69 14.360 25.719 -32.155 1.00 0.00 C +HETATM 818 C2 UFX A 69 13.175 26.044 -31.151 1.00 0.00 C +HETATM 819 C3 UFX A 69 12.657 24.771 -30.502 1.00 0.00 C +HETATM 820 O1 UFX A 69 11.698 25.095 -29.499 1.00 0.00 O +HETATM 821 H1 UFX A 69 15.134 25.105 -31.693 1.00 0.00 H +HETATM 822 H2 UFX A 69 13.893 25.136 -32.949 1.00 0.00 H +HETATM 823 H3 UFX A 69 14.810 26.633 -32.544 1.00 0.00 H +HETATM 824 H4 UFX A 69 13.569 26.747 -30.416 1.00 0.00 H +HETATM 825 H5 UFX A 69 12.377 26.610 -31.632 1.00 0.00 H +HETATM 826 H6 UFX A 69 13.377 24.068 -30.083 1.00 0.00 H +HETATM 827 H7 UFX A 69 12.219 24.110 -31.250 1.00 0.00 H +HETATM 828 H8 UFX A 69 11.387 24.326 -28.976 1.00 0.00 H +HETATM 829 C1 UFX A 70 15.316 24.550 10.497 1.00 0.00 C +HETATM 830 C2 UFX A 70 14.859 24.771 12.038 1.00 0.00 C +HETATM 831 C3 UFX A 70 13.823 23.772 12.558 1.00 0.00 C +HETATM 832 O1 UFX A 70 12.770 23.691 11.661 1.00 0.00 O +HETATM 833 H1 UFX A 70 16.052 25.308 10.231 1.00 0.00 H +HETATM 834 H2 UFX A 70 15.688 23.536 10.347 1.00 0.00 H +HETATM 835 H3 UFX A 70 14.445 24.724 9.865 1.00 0.00 H +HETATM 836 H4 UFX A 70 15.775 24.781 12.628 1.00 0.00 H +HETATM 837 H5 UFX A 70 14.464 25.787 12.023 1.00 0.00 H +HETATM 838 H6 UFX A 70 13.366 24.196 13.452 1.00 0.00 H +HETATM 839 H7 UFX A 70 14.300 22.803 12.712 1.00 0.00 H +HETATM 840 H8 UFX A 70 12.058 23.101 11.990 1.00 0.00 H +HETATM 841 C1 UFX A 71 4.350 27.796 13.679 1.00 0.00 C +HETATM 842 C2 UFX A 71 3.233 27.424 14.662 1.00 0.00 C +HETATM 843 C3 UFX A 71 3.068 28.603 15.697 1.00 0.00 C +HETATM 844 O1 UFX A 71 4.103 28.600 16.657 1.00 0.00 O +HETATM 845 H1 UFX A 71 4.718 26.892 13.193 1.00 0.00 H +HETATM 846 H2 UFX A 71 3.937 28.456 12.916 1.00 0.00 H +HETATM 847 H3 UFX A 71 5.177 28.309 14.170 1.00 0.00 H +HETATM 848 H4 UFX A 71 2.303 27.300 14.106 1.00 0.00 H +HETATM 849 H5 UFX A 71 3.354 26.447 15.131 1.00 0.00 H +HETATM 850 H6 UFX A 71 2.093 28.461 16.164 1.00 0.00 H +HETATM 851 H7 UFX A 71 2.885 29.555 15.199 1.00 0.00 H +HETATM 852 H8 UFX A 71 4.009 27.816 17.239 1.00 0.00 H +HETATM 853 C1 UFX A 72 16.892 28.964 21.189 1.00 0.00 C +HETATM 854 C2 UFX A 72 16.832 29.559 22.598 1.00 0.00 C +HETATM 855 C3 UFX A 72 15.854 28.899 23.447 1.00 0.00 C +HETATM 856 O1 UFX A 72 15.769 29.730 24.594 1.00 0.00 O +HETATM 857 H1 UFX A 72 17.700 29.380 20.587 1.00 0.00 H +HETATM 858 H2 UFX A 72 17.127 27.912 21.350 1.00 0.00 H +HETATM 859 H3 UFX A 72 15.953 29.089 20.649 1.00 0.00 H +HETATM 860 H4 UFX A 72 17.830 29.435 23.017 1.00 0.00 H +HETATM 861 H5 UFX A 72 16.565 30.613 22.519 1.00 0.00 H +HETATM 862 H6 UFX A 72 16.219 27.924 23.769 1.00 0.00 H +HETATM 863 H7 UFX A 72 14.852 28.844 23.020 1.00 0.00 H +HETATM 864 H8 UFX A 72 16.655 29.856 24.994 1.00 0.00 H +HETATM 865 C1 UFX A 73 -15.860 22.717 27.903 1.00 0.00 C +HETATM 866 C2 UFX A 73 -15.764 22.272 29.347 1.00 0.00 C +HETATM 867 C3 UFX A 73 -14.298 22.176 29.785 1.00 0.00 C +HETATM 868 O1 UFX A 73 -13.484 21.507 28.836 1.00 0.00 O +HETATM 869 H1 UFX A 73 -15.878 21.872 27.214 1.00 0.00 H +HETATM 870 H2 UFX A 73 -16.755 23.314 27.726 1.00 0.00 H +HETATM 871 H3 UFX A 73 -14.980 23.325 27.693 1.00 0.00 H +HETATM 872 H4 UFX A 73 -16.254 22.961 30.035 1.00 0.00 H +HETATM 873 H5 UFX A 73 -16.355 21.360 29.439 1.00 0.00 H +HETATM 874 H6 UFX A 73 -14.192 21.592 30.700 1.00 0.00 H +HETATM 875 H7 UFX A 73 -13.887 23.151 30.049 1.00 0.00 H +HETATM 876 H8 UFX A 73 -13.823 20.657 28.482 1.00 0.00 H +HETATM 877 C1 UFX A 74 29.765 17.974 38.143 1.00 0.00 C +HETATM 878 C2 UFX A 74 28.558 17.629 37.255 1.00 0.00 C +HETATM 879 C3 UFX A 74 27.545 17.027 38.120 1.00 0.00 C +HETATM 880 O1 UFX A 74 27.880 15.866 38.859 1.00 0.00 O +HETATM 881 H1 UFX A 74 29.450 18.264 39.146 1.00 0.00 H +HETATM 882 H2 UFX A 74 30.357 17.088 38.377 1.00 0.00 H +HETATM 883 H3 UFX A 74 30.359 18.742 37.648 1.00 0.00 H +HETATM 884 H4 UFX A 74 28.175 18.533 36.782 1.00 0.00 H +HETATM 885 H5 UFX A 74 28.788 16.933 36.448 1.00 0.00 H +HETATM 886 H6 UFX A 74 26.650 16.860 37.520 1.00 0.00 H +HETATM 887 H7 UFX A 74 27.266 17.706 38.927 1.00 0.00 H +HETATM 888 H8 UFX A 74 27.958 15.135 38.208 1.00 0.00 H +HETATM 889 C1 UFX A 75 34.825 20.647 15.103 1.00 0.00 C +HETATM 890 C2 UFX A 75 35.834 21.529 15.914 1.00 0.00 C +HETATM 891 C3 UFX A 75 37.308 20.927 16.093 1.00 0.00 C +HETATM 892 O1 UFX A 75 37.913 21.156 14.809 1.00 0.00 O +HETATM 893 H1 UFX A 75 34.700 19.604 15.397 1.00 0.00 H +HETATM 894 H2 UFX A 75 33.839 21.110 15.080 1.00 0.00 H +HETATM 895 H3 UFX A 75 35.127 20.548 14.060 1.00 0.00 H +HETATM 896 H4 UFX A 75 35.999 22.492 15.431 1.00 0.00 H +HETATM 897 H5 UFX A 75 35.495 21.816 16.910 1.00 0.00 H +HETATM 898 H6 UFX A 75 37.264 19.855 16.286 1.00 0.00 H +HETATM 899 H7 UFX A 75 37.935 21.360 16.873 1.00 0.00 H +HETATM 900 H8 UFX A 75 37.272 21.132 14.067 1.00 0.00 H +HETATM 901 C1 UFX A 76 -36.523 34.375 10.431 1.00 0.00 C +HETATM 902 C2 UFX A 76 -36.133 32.979 10.694 1.00 0.00 C +HETATM 903 C3 UFX A 76 -37.070 31.910 10.070 1.00 0.00 C +HETATM 904 O1 UFX A 76 -36.768 30.598 10.439 1.00 0.00 O +HETATM 905 H1 UFX A 76 -36.502 34.527 9.351 1.00 0.00 H +HETATM 906 H2 UFX A 76 -37.557 34.572 10.715 1.00 0.00 H +HETATM 907 H3 UFX A 76 -35.882 35.068 10.975 1.00 0.00 H +HETATM 908 H4 UFX A 76 -35.125 32.866 10.296 1.00 0.00 H +HETATM 909 H5 UFX A 76 -36.128 32.877 11.779 1.00 0.00 H +HETATM 910 H6 UFX A 76 -37.041 32.019 8.986 1.00 0.00 H +HETATM 911 H7 UFX A 76 -38.092 32.145 10.366 1.00 0.00 H +HETATM 912 H8 UFX A 76 -36.780 30.455 11.409 1.00 0.00 H +HETATM 913 C1 UFX A 77 19.673 10.128 15.531 1.00 0.00 C +HETATM 914 C2 UFX A 77 18.546 9.090 15.386 1.00 0.00 C +HETATM 915 C3 UFX A 77 18.896 7.965 14.457 1.00 0.00 C +HETATM 916 O1 UFX A 77 17.789 7.086 14.410 1.00 0.00 O +HETATM 917 H1 UFX A 77 20.602 9.649 15.840 1.00 0.00 H +HETATM 918 H2 UFX A 77 19.894 10.645 14.598 1.00 0.00 H +HETATM 919 H3 UFX A 77 19.524 10.867 16.318 1.00 0.00 H +HETATM 920 H4 UFX A 77 18.371 8.753 16.408 1.00 0.00 H +HETATM 921 H5 UFX A 77 17.598 9.553 15.110 1.00 0.00 H +HETATM 922 H6 UFX A 77 19.732 7.397 14.867 1.00 0.00 H +HETATM 923 H7 UFX A 77 19.139 8.384 13.481 1.00 0.00 H +HETATM 924 H8 UFX A 77 16.932 7.544 14.277 1.00 0.00 H +HETATM 925 C1 UFX A 78 26.433 28.827 18.535 1.00 0.00 C +HETATM 926 C2 UFX A 78 26.798 30.295 18.300 1.00 0.00 C +HETATM 927 C3 UFX A 78 25.546 31.176 18.165 1.00 0.00 C +HETATM 928 O1 UFX A 78 24.749 30.776 17.015 1.00 0.00 O +HETATM 929 H1 UFX A 78 25.580 28.498 17.940 1.00 0.00 H +HETATM 930 H2 UFX A 78 27.283 28.154 18.418 1.00 0.00 H +HETATM 931 H3 UFX A 78 26.136 28.572 19.552 1.00 0.00 H +HETATM 932 H4 UFX A 78 27.436 30.610 19.126 1.00 0.00 H +HETATM 933 H5 UFX A 78 27.278 30.417 17.329 1.00 0.00 H +HETATM 934 H6 UFX A 78 25.700 32.249 18.048 1.00 0.00 H +HETATM 935 H7 UFX A 78 24.962 31.180 19.085 1.00 0.00 H +HETATM 936 H8 UFX A 78 25.003 31.311 16.233 1.00 0.00 H +HETATM 937 C1 UFX A 79 47.235 15.805 15.443 1.00 0.00 C +HETATM 938 C2 UFX A 79 47.088 14.671 14.415 1.00 0.00 C +HETATM 939 C3 UFX A 79 46.568 15.103 13.054 1.00 0.00 C +HETATM 940 O1 UFX A 79 46.068 13.886 12.432 1.00 0.00 O +HETATM 941 H1 UFX A 79 47.781 15.501 16.337 1.00 0.00 H +HETATM 942 H2 UFX A 79 47.688 16.656 14.935 1.00 0.00 H +HETATM 943 H3 UFX A 79 46.217 16.131 15.658 1.00 0.00 H +HETATM 944 H4 UFX A 79 48.022 14.138 14.238 1.00 0.00 H +HETATM 945 H5 UFX A 79 46.450 13.888 14.826 1.00 0.00 H +HETATM 946 H6 UFX A 79 47.368 15.573 12.481 1.00 0.00 H +HETATM 947 H7 UFX A 79 45.809 15.855 13.271 1.00 0.00 H +HETATM 948 H8 UFX A 79 45.481 13.407 13.055 1.00 0.00 H +HETATM 949 C1 UFX A 80 1.466 37.898 3.937 1.00 0.00 C +HETATM 950 C2 UFX A 80 2.515 38.919 4.217 1.00 0.00 C +HETATM 951 C3 UFX A 80 2.059 39.994 5.213 1.00 0.00 C +HETATM 952 O1 UFX A 80 1.729 39.399 6.466 1.00 0.00 O +HETATM 953 H1 UFX A 80 0.535 38.346 3.588 1.00 0.00 H +HETATM 954 H2 UFX A 80 1.820 37.347 3.065 1.00 0.00 H +HETATM 955 H3 UFX A 80 1.179 37.313 4.810 1.00 0.00 H +HETATM 956 H4 UFX A 80 3.348 38.423 4.715 1.00 0.00 H +HETATM 957 H5 UFX A 80 2.877 39.380 3.297 1.00 0.00 H +HETATM 958 H6 UFX A 80 1.204 40.526 4.798 1.00 0.00 H +HETATM 959 H7 UFX A 80 2.853 40.725 5.372 1.00 0.00 H +HETATM 960 H8 UFX A 80 1.602 40.070 7.170 1.00 0.00 H +HETATM 961 C1 UFX A 81 40.668 38.772 16.092 1.00 0.00 C +HETATM 962 C2 UFX A 81 40.868 37.369 15.235 1.00 0.00 C +HETATM 963 C3 UFX A 81 42.219 37.371 14.484 1.00 0.00 C +HETATM 964 O1 UFX A 81 43.128 37.165 15.492 1.00 0.00 O +HETATM 965 H1 UFX A 81 41.369 38.792 16.927 1.00 0.00 H +HETATM 966 H2 UFX A 81 40.709 39.700 15.521 1.00 0.00 H +HETATM 967 H3 UFX A 81 39.688 38.755 16.570 1.00 0.00 H +HETATM 968 H4 UFX A 81 40.828 36.449 15.820 1.00 0.00 H +HETATM 969 H5 UFX A 81 40.070 37.358 14.493 1.00 0.00 H +HETATM 970 H6 UFX A 81 42.504 38.321 14.031 1.00 0.00 H +HETATM 971 H7 UFX A 81 42.197 36.591 13.722 1.00 0.00 H +HETATM 972 H8 UFX A 81 42.729 36.594 16.183 1.00 0.00 H +HETATM 973 C1 UFX A 82 3.839 25.605 30.463 1.00 0.00 C +HETATM 974 C2 UFX A 82 3.847 26.429 31.683 1.00 0.00 C +HETATM 975 C3 UFX A 82 3.387 25.527 32.867 1.00 0.00 C +HETATM 976 O1 UFX A 82 2.939 26.352 33.942 1.00 0.00 O +HETATM 977 H1 UFX A 82 4.001 26.300 29.639 1.00 0.00 H +HETATM 978 H2 UFX A 82 4.665 24.894 30.451 1.00 0.00 H +HETATM 979 H3 UFX A 82 2.895 25.097 30.265 1.00 0.00 H +HETATM 980 H4 UFX A 82 4.823 26.842 31.939 1.00 0.00 H +HETATM 981 H5 UFX A 82 3.074 27.176 31.502 1.00 0.00 H +HETATM 982 H6 UFX A 82 4.246 24.944 33.199 1.00 0.00 H +HETATM 983 H7 UFX A 82 2.559 24.932 32.481 1.00 0.00 H +HETATM 984 H8 UFX A 82 2.757 25.848 34.764 1.00 0.00 H +HETATM 985 C1 UFX A 83 22.497 4.316 -8.998 1.00 0.00 C +HETATM 986 C2 UFX A 83 21.394 4.178 -8.040 1.00 0.00 C +HETATM 987 C3 UFX A 83 20.073 4.674 -8.578 1.00 0.00 C +HETATM 988 O1 UFX A 83 19.110 4.450 -7.507 1.00 0.00 O +HETATM 989 H1 UFX A 83 22.445 5.340 -9.369 1.00 0.00 H +HETATM 990 H2 UFX A 83 23.479 4.204 -8.539 1.00 0.00 H +HETATM 991 H3 UFX A 83 22.389 3.641 -9.847 1.00 0.00 H +HETATM 992 H4 UFX A 83 21.153 3.150 -7.768 1.00 0.00 H +HETATM 993 H5 UFX A 83 21.505 4.672 -7.075 1.00 0.00 H +HETATM 994 H6 UFX A 83 19.871 3.986 -9.399 1.00 0.00 H +HETATM 995 H7 UFX A 83 20.137 5.703 -8.930 1.00 0.00 H +HETATM 996 H8 UFX A 83 19.539 4.563 -6.631 1.00 0.00 H +HETATM 997 C1 UFX A 84 6.488 46.150 39.093 1.00 0.00 C +HETATM 998 C2 UFX A 84 7.888 45.747 38.820 1.00 0.00 C +HETATM 999 C3 UFX A 84 7.947 44.241 39.009 1.00 0.00 C +HETATM 1000 O1 UFX A 84 6.944 43.563 38.254 1.00 0.00 O +HETATM 1001 H1 UFX A 84 5.729 45.408 38.841 1.00 0.00 H +HETATM 1002 H2 UFX A 84 6.385 46.262 40.172 1.00 0.00 H +HETATM 1003 H3 UFX A 84 6.226 47.052 38.540 1.00 0.00 H +HETATM 1004 H4 UFX A 84 8.192 45.955 37.794 1.00 0.00 H +HETATM 1005 H5 UFX A 84 8.480 46.283 39.562 1.00 0.00 H +HETATM 1006 H6 UFX A 84 7.744 43.994 40.051 1.00 0.00 H +HETATM 1007 H7 UFX A 84 8.943 43.887 38.744 1.00 0.00 H +HETATM 1008 H8 UFX A 84 7.062 42.590 38.202 1.00 0.00 H +HETATM 1009 C1 UFX A 85 21.953 -9.586 23.492 1.00 0.00 C +HETATM 1010 C2 UFX A 85 22.883 -9.860 22.326 1.00 0.00 C +HETATM 1011 C3 UFX A 85 22.924 -11.357 21.805 1.00 0.00 C +HETATM 1012 O1 UFX A 85 24.177 -11.529 20.958 1.00 0.00 O +HETATM 1013 H1 UFX A 85 21.544 -8.581 23.385 1.00 0.00 H +HETATM 1014 H2 UFX A 85 21.109 -10.271 23.568 1.00 0.00 H +HETATM 1015 H3 UFX A 85 22.559 -9.760 24.381 1.00 0.00 H +HETATM 1016 H4 UFX A 85 22.632 -9.266 21.448 1.00 0.00 H +HETATM 1017 H5 UFX A 85 23.904 -9.589 22.597 1.00 0.00 H +HETATM 1018 H6 UFX A 85 22.025 -11.388 21.189 1.00 0.00 H +HETATM 1019 H7 UFX A 85 22.857 -12.005 22.679 1.00 0.00 H +HETATM 1020 H8 UFX A 85 24.299 -12.435 20.601 1.00 0.00 H +HETATM 1021 C1 UFX A 86 33.599 45.107 25.947 1.00 0.00 C +HETATM 1022 C2 UFX A 86 33.003 44.024 25.141 1.00 0.00 C +HETATM 1023 C3 UFX A 86 32.283 42.883 26.041 1.00 0.00 C +HETATM 1024 O1 UFX A 86 32.889 42.738 27.308 1.00 0.00 O +HETATM 1025 H1 UFX A 86 32.921 45.520 26.694 1.00 0.00 H +HETATM 1026 H2 UFX A 86 34.510 44.713 26.398 1.00 0.00 H +HETATM 1027 H3 UFX A 86 33.906 45.982 25.373 1.00 0.00 H +HETATM 1028 H4 UFX A 86 32.357 44.503 24.404 1.00 0.00 H +HETATM 1029 H5 UFX A 86 33.764 43.543 24.527 1.00 0.00 H +HETATM 1030 H6 UFX A 86 32.360 41.945 25.490 1.00 0.00 H +HETATM 1031 H7 UFX A 86 31.218 43.106 26.113 1.00 0.00 H +HETATM 1032 H8 UFX A 86 33.787 42.367 27.166 1.00 0.00 H +HETATM 1033 C1 UFX A 87 -2.864 34.685 16.491 1.00 0.00 C +HETATM 1034 C2 UFX A 87 -2.877 35.341 15.079 1.00 0.00 C +HETATM 1035 C3 UFX A 87 -3.775 34.631 14.081 1.00 0.00 C +HETATM 1036 O1 UFX A 87 -5.073 34.611 14.635 1.00 0.00 O +HETATM 1037 H1 UFX A 87 -2.508 33.659 16.403 1.00 0.00 H +HETATM 1038 H2 UFX A 87 -2.199 35.251 17.145 1.00 0.00 H +HETATM 1039 H3 UFX A 87 -3.872 34.751 16.901 1.00 0.00 H +HETATM 1040 H4 UFX A 87 -3.244 36.360 15.202 1.00 0.00 H +HETATM 1041 H5 UFX A 87 -1.891 35.402 14.619 1.00 0.00 H +HETATM 1042 H6 UFX A 87 -3.435 33.624 13.834 1.00 0.00 H +HETATM 1043 H7 UFX A 87 -3.719 35.267 13.197 1.00 0.00 H +HETATM 1044 H8 UFX A 87 -5.476 35.501 14.733 1.00 0.00 H +HETATM 1045 C1 UFX A 88 29.091 41.661 41.403 1.00 0.00 C +HETATM 1046 C2 UFX A 88 29.599 42.759 42.328 1.00 0.00 C +HETATM 1047 C3 UFX A 88 30.974 43.270 41.921 1.00 0.00 C +HETATM 1048 O1 UFX A 88 31.890 42.287 41.770 1.00 0.00 O +HETATM 1049 H1 UFX A 88 29.692 40.756 41.497 1.00 0.00 H +HETATM 1050 H2 UFX A 88 28.065 41.449 41.706 1.00 0.00 H +HETATM 1051 H3 UFX A 88 29.053 41.945 40.351 1.00 0.00 H +HETATM 1052 H4 UFX A 88 28.944 43.627 42.249 1.00 0.00 H +HETATM 1053 H5 UFX A 88 29.600 42.418 43.363 1.00 0.00 H +HETATM 1054 H6 UFX A 88 31.391 43.963 42.652 1.00 0.00 H +HETATM 1055 H7 UFX A 88 30.944 43.811 40.975 1.00 0.00 H +HETATM 1056 H8 UFX A 88 31.925 41.649 42.515 1.00 0.00 H +HETATM 1057 C1 UFX A 89 -1.099 30.686 1.177 1.00 0.00 C +HETATM 1058 C2 UFX A 89 -0.426 29.555 1.861 1.00 0.00 C +HETATM 1059 C3 UFX A 89 1.001 29.481 1.308 1.00 0.00 C +HETATM 1060 O1 UFX A 89 1.854 30.199 2.057 1.00 0.00 O +HETATM 1061 H1 UFX A 89 -0.609 31.629 1.424 1.00 0.00 H +HETATM 1062 H2 UFX A 89 -1.022 30.633 0.091 1.00 0.00 H +HETATM 1063 H3 UFX A 89 -2.172 30.700 1.366 1.00 0.00 H +HETATM 1064 H4 UFX A 89 -0.416 29.623 2.949 1.00 0.00 H +HETATM 1065 H5 UFX A 89 -1.021 28.700 1.540 1.00 0.00 H +HETATM 1066 H6 UFX A 89 0.980 29.838 0.278 1.00 0.00 H +HETATM 1067 H7 UFX A 89 1.352 28.450 1.280 1.00 0.00 H +HETATM 1068 H8 UFX A 89 2.682 29.703 2.233 1.00 0.00 H +HETATM 1069 C1 UFX A 90 18.732 -3.908 49.364 1.00 0.00 C +HETATM 1070 C2 UFX A 90 17.649 -2.974 48.943 1.00 0.00 C +HETATM 1071 C3 UFX A 90 16.361 -3.604 48.532 1.00 0.00 C +HETATM 1072 O1 UFX A 90 15.424 -2.590 48.218 1.00 0.00 O +HETATM 1073 H1 UFX A 90 18.989 -4.381 48.416 1.00 0.00 H +HETATM 1074 H2 UFX A 90 19.620 -3.366 49.689 1.00 0.00 H +HETATM 1075 H3 UFX A 90 18.239 -4.567 50.079 1.00 0.00 H +HETATM 1076 H4 UFX A 90 17.431 -2.337 49.800 1.00 0.00 H +HETATM 1077 H5 UFX A 90 18.003 -2.269 48.191 1.00 0.00 H +HETATM 1078 H6 UFX A 90 15.971 -4.286 49.288 1.00 0.00 H +HETATM 1079 H7 UFX A 90 16.611 -4.128 47.610 1.00 0.00 H +HETATM 1080 H8 UFX A 90 15.194 -2.058 49.010 1.00 0.00 H +HETATM 1081 C1 UFX A 91 12.524 16.191 10.308 1.00 0.00 C +HETATM 1082 C2 UFX A 91 11.719 16.442 11.623 1.00 0.00 C +HETATM 1083 C3 UFX A 91 11.835 17.896 12.044 1.00 0.00 C +HETATM 1084 O1 UFX A 91 13.199 18.188 12.382 1.00 0.00 O +HETATM 1085 H1 UFX A 91 13.545 16.513 10.513 1.00 0.00 H +HETATM 1086 H2 UFX A 91 12.581 15.132 10.057 1.00 0.00 H +HETATM 1087 H3 UFX A 91 12.065 16.713 9.468 1.00 0.00 H +HETATM 1088 H4 UFX A 91 10.690 16.096 11.526 1.00 0.00 H +HETATM 1089 H5 UFX A 91 12.033 15.797 12.444 1.00 0.00 H +HETATM 1090 H6 UFX A 91 11.224 18.083 12.927 1.00 0.00 H +HETATM 1091 H7 UFX A 91 11.547 18.510 11.190 1.00 0.00 H +HETATM 1092 H8 UFX A 91 13.365 19.149 12.491 1.00 0.00 H +HETATM 1093 C1 UFX A 92 15.505 20.794 19.929 1.00 0.00 C +HETATM 1094 C2 UFX A 92 15.428 20.134 18.555 1.00 0.00 C +HETATM 1095 C3 UFX A 92 16.098 18.859 18.456 1.00 0.00 C +HETATM 1096 O1 UFX A 92 15.271 17.938 19.175 1.00 0.00 O +HETATM 1097 H1 UFX A 92 14.943 20.192 20.643 1.00 0.00 H +HETATM 1098 H2 UFX A 92 16.513 20.907 20.328 1.00 0.00 H +HETATM 1099 H3 UFX A 92 15.084 21.796 19.839 1.00 0.00 H +HETATM 1100 H4 UFX A 92 14.388 20.010 18.253 1.00 0.00 H +HETATM 1101 H5 UFX A 92 15.868 20.870 17.882 1.00 0.00 H +HETATM 1102 H6 UFX A 92 17.032 18.847 19.017 1.00 0.00 H +HETATM 1103 H7 UFX A 92 16.282 18.535 17.432 1.00 0.00 H +HETATM 1104 H8 UFX A 92 14.334 18.227 19.135 1.00 0.00 H +HETATM 1105 C1 UFX A 93 17.969 -10.326 22.883 1.00 0.00 C +HETATM 1106 C2 UFX A 93 17.270 -8.954 22.546 1.00 0.00 C +HETATM 1107 C3 UFX A 93 18.293 -7.741 22.197 1.00 0.00 C +HETATM 1108 O1 UFX A 93 18.269 -7.625 20.783 1.00 0.00 O +HETATM 1109 H1 UFX A 93 17.176 -10.981 23.243 1.00 0.00 H +HETATM 1110 H2 UFX A 93 18.497 -10.739 22.024 1.00 0.00 H +HETATM 1111 H3 UFX A 93 18.654 -10.099 23.700 1.00 0.00 H +HETATM 1112 H4 UFX A 93 16.506 -9.123 21.787 1.00 0.00 H +HETATM 1113 H5 UFX A 93 16.852 -8.626 23.498 1.00 0.00 H +HETATM 1114 H6 UFX A 93 19.301 -7.978 22.539 1.00 0.00 H +HETATM 1115 H7 UFX A 93 18.012 -6.779 22.626 1.00 0.00 H +HETATM 1116 H8 UFX A 93 18.926 -8.247 20.402 1.00 0.00 H +HETATM 1117 C1 UFX A 94 32.145 27.089 36.118 1.00 0.00 C +HETATM 1118 C2 UFX A 94 32.625 25.727 36.451 1.00 0.00 C +HETATM 1119 C3 UFX A 94 33.878 25.713 37.349 1.00 0.00 C +HETATM 1120 O1 UFX A 94 35.006 26.123 36.541 1.00 0.00 O +HETATM 1121 H1 UFX A 94 32.959 27.661 35.670 1.00 0.00 H +HETATM 1122 H2 UFX A 94 31.197 27.058 35.582 1.00 0.00 H +HETATM 1123 H3 UFX A 94 32.017 27.652 37.043 1.00 0.00 H +HETATM 1124 H4 UFX A 94 31.824 25.209 36.979 1.00 0.00 H +HETATM 1125 H5 UFX A 94 32.856 25.258 35.495 1.00 0.00 H +HETATM 1126 H6 UFX A 94 34.043 24.714 37.754 1.00 0.00 H +HETATM 1127 H7 UFX A 94 33.764 26.400 38.187 1.00 0.00 H +HETATM 1128 H8 UFX A 94 35.833 26.345 37.020 1.00 0.00 H +HETATM 1129 C1 UFX A 95 6.065 14.662 -4.829 1.00 0.00 C +HETATM 1130 C2 UFX A 95 5.674 15.486 -6.102 1.00 0.00 C +HETATM 1131 C3 UFX A 95 6.669 16.530 -6.414 1.00 0.00 C +HETATM 1132 O1 UFX A 95 6.877 17.361 -5.267 1.00 0.00 O +HETATM 1133 H1 UFX A 95 6.287 15.310 -3.981 1.00 0.00 H +HETATM 1134 H2 UFX A 95 5.258 14.012 -4.491 1.00 0.00 H +HETATM 1135 H3 UFX A 95 6.945 14.068 -5.076 1.00 0.00 H +HETATM 1136 H4 UFX A 95 5.669 14.737 -6.894 1.00 0.00 H +HETATM 1137 H5 UFX A 95 4.679 15.929 -6.131 1.00 0.00 H +HETATM 1138 H6 UFX A 95 6.297 17.177 -7.209 1.00 0.00 H +HETATM 1139 H7 UFX A 95 7.540 16.145 -6.943 1.00 0.00 H +HETATM 1140 H8 UFX A 95 6.023 17.565 -4.828 1.00 0.00 H +HETATM 1141 C1 UFX A 96 40.910 28.296 13.820 1.00 0.00 C +HETATM 1142 C2 UFX A 96 39.801 28.844 12.959 1.00 0.00 C +HETATM 1143 C3 UFX A 96 39.902 30.233 12.603 1.00 0.00 C +HETATM 1144 O1 UFX A 96 38.643 30.761 12.098 1.00 0.00 O +HETATM 1145 H1 UFX A 96 40.833 28.828 14.768 1.00 0.00 H +HETATM 1146 H2 UFX A 96 40.797 27.220 13.949 1.00 0.00 H +HETATM 1147 H3 UFX A 96 41.865 28.627 13.412 1.00 0.00 H +HETATM 1148 H4 UFX A 96 39.737 28.305 12.014 1.00 0.00 H +HETATM 1149 H5 UFX A 96 38.883 28.717 13.533 1.00 0.00 H +HETATM 1150 H6 UFX A 96 40.707 30.407 11.890 1.00 0.00 H +HETATM 1151 H7 UFX A 96 40.213 30.781 13.493 1.00 0.00 H +HETATM 1152 H8 UFX A 96 38.606 31.732 12.236 1.00 0.00 H +HETATM 1153 C1 UFX A 97 2.875 31.023 26.752 1.00 0.00 C +HETATM 1154 C2 UFX A 97 4.079 31.861 27.287 1.00 0.00 C +HETATM 1155 C3 UFX A 97 4.503 32.875 26.191 1.00 0.00 C +HETATM 1156 O1 UFX A 97 4.980 32.181 25.080 1.00 0.00 O +HETATM 1157 H1 UFX A 97 1.995 31.610 26.491 1.00 0.00 H +HETATM 1158 H2 UFX A 97 3.275 30.451 25.914 1.00 0.00 H +HETATM 1159 H3 UFX A 97 2.587 30.333 27.545 1.00 0.00 H +HETATM 1160 H4 UFX A 97 3.753 32.466 28.134 1.00 0.00 H +HETATM 1161 H5 UFX A 97 4.933 31.255 27.589 1.00 0.00 H +HETATM 1162 H6 UFX A 97 5.297 33.521 26.565 1.00 0.00 H +HETATM 1163 H7 UFX A 97 3.628 33.459 25.906 1.00 0.00 H +HETATM 1164 H8 UFX A 97 5.706 31.551 25.278 1.00 0.00 H +HETATM 1165 C1 UFX A 98 19.839 46.098 17.039 1.00 0.00 C +HETATM 1166 C2 UFX A 98 20.128 46.225 18.555 1.00 0.00 C +HETATM 1167 C3 UFX A 98 20.960 45.038 19.074 1.00 0.00 C +HETATM 1168 O1 UFX A 98 22.365 45.158 18.589 1.00 0.00 O +HETATM 1169 H1 UFX A 98 20.782 46.298 16.530 1.00 0.00 H +HETATM 1170 H2 UFX A 98 19.499 45.118 16.703 1.00 0.00 H +HETATM 1171 H3 UFX A 98 19.096 46.805 16.670 1.00 0.00 H +HETATM 1172 H4 UFX A 98 20.719 47.114 18.777 1.00 0.00 H +HETATM 1173 H5 UFX A 98 19.269 46.320 19.220 1.00 0.00 H +HETATM 1174 H6 UFX A 98 20.449 44.150 18.702 1.00 0.00 H +HETATM 1175 H7 UFX A 98 20.988 45.029 20.164 1.00 0.00 H +HETATM 1176 H8 UFX A 98 22.918 44.409 18.900 1.00 0.00 H +HETATM 1177 C1 UFX A 99 8.992 22.061 12.475 1.00 0.00 C +HETATM 1178 C2 UFX A 99 9.590 20.699 12.254 1.00 0.00 C +HETATM 1179 C3 UFX A 99 8.516 19.563 12.056 1.00 0.00 C +HETATM 1180 O1 UFX A 99 7.897 19.277 13.256 1.00 0.00 O +HETATM 1181 H1 UFX A 99 8.653 22.503 11.538 1.00 0.00 H +HETATM 1182 H2 UFX A 99 8.080 21.943 13.061 1.00 0.00 H +HETATM 1183 H3 UFX A 99 9.780 22.687 12.893 1.00 0.00 H +HETATM 1184 H4 UFX A 99 10.191 20.814 11.352 1.00 0.00 H +HETATM 1185 H5 UFX A 99 10.224 20.425 13.098 1.00 0.00 H +HETATM 1186 H6 UFX A 99 8.887 18.610 11.679 1.00 0.00 H +HETATM 1187 H7 UFX A 99 7.732 19.900 11.378 1.00 0.00 H +HETATM 1188 H8 UFX A 99 7.446 20.057 13.645 1.00 0.00 H +HETATM 1189 C1 UFX A 100 10.142 12.129 21.959 1.00 0.00 C +HETATM 1190 C2 UFX A 100 10.189 12.398 23.462 1.00 0.00 C +HETATM 1191 C3 UFX A 100 9.047 13.315 23.948 1.00 0.00 C +HETATM 1192 O1 UFX A 100 7.744 12.743 23.641 1.00 0.00 O +HETATM 1193 H1 UFX A 100 9.864 12.993 21.354 1.00 0.00 H +HETATM 1194 H2 UFX A 100 11.082 11.717 21.591 1.00 0.00 H +HETATM 1195 H3 UFX A 100 9.345 11.411 21.762 1.00 0.00 H +HETATM 1196 H4 UFX A 100 10.137 11.488 24.060 1.00 0.00 H +HETATM 1197 H5 UFX A 100 11.155 12.809 23.755 1.00 0.00 H +HETATM 1198 H6 UFX A 100 9.125 14.303 23.493 1.00 0.00 H +HETATM 1199 H7 UFX A 100 9.004 13.473 25.026 1.00 0.00 H +HETATM 1200 H8 UFX A 100 7.583 11.873 24.064 1.00 0.00 H +HETATM 1201 C1 UFX A 101 20.479 9.790 20.723 1.00 0.00 C +HETATM 1202 C2 UFX A 101 19.639 8.584 21.095 1.00 0.00 C +HETATM 1203 C3 UFX A 101 18.331 9.111 21.960 1.00 0.00 C +HETATM 1204 O1 UFX A 101 18.789 9.784 23.098 1.00 0.00 O +HETATM 1205 H1 UFX A 101 19.942 10.378 19.979 1.00 0.00 H +HETATM 1206 H2 UFX A 101 20.497 10.459 21.584 1.00 0.00 H +HETATM 1207 H3 UFX A 101 21.436 9.568 20.250 1.00 0.00 H +HETATM 1208 H4 UFX A 101 19.357 8.023 20.204 1.00 0.00 H +HETATM 1209 H5 UFX A 101 20.265 7.872 21.633 1.00 0.00 H +HETATM 1210 H6 UFX A 101 17.722 8.251 22.238 1.00 0.00 H +HETATM 1211 H7 UFX A 101 17.856 9.899 21.376 1.00 0.00 H +HETATM 1212 H8 UFX A 101 19.663 10.209 22.964 1.00 0.00 H +HETATM 1213 C1 UFX A 102 28.188 8.322 17.878 1.00 0.00 C +HETATM 1214 C2 UFX A 102 27.523 7.882 19.204 1.00 0.00 C +HETATM 1215 C3 UFX A 102 27.879 8.734 20.371 1.00 0.00 C +HETATM 1216 O1 UFX A 102 27.696 10.187 20.144 1.00 0.00 O +HETATM 1217 H1 UFX A 102 27.930 9.371 17.730 1.00 0.00 H +HETATM 1218 H2 UFX A 102 29.270 8.258 17.996 1.00 0.00 H +HETATM 1219 H3 UFX A 102 27.806 7.645 17.114 1.00 0.00 H +HETATM 1220 H4 UFX A 102 26.440 7.919 19.084 1.00 0.00 H +HETATM 1221 H5 UFX A 102 27.893 6.882 19.433 1.00 0.00 H +HETATM 1222 H6 UFX A 102 28.938 8.609 20.600 1.00 0.00 H +HETATM 1223 H7 UFX A 102 27.389 8.379 21.277 1.00 0.00 H +HETATM 1224 H8 UFX A 102 27.870 10.775 20.910 1.00 0.00 H +HETATM 1225 C1 UFX A 103 17.705 2.037 21.812 1.00 0.00 C +HETATM 1226 C2 UFX A 103 17.961 1.047 20.615 1.00 0.00 C +HETATM 1227 C3 UFX A 103 17.017 1.357 19.391 1.00 0.00 C +HETATM 1228 O1 UFX A 103 15.644 1.271 19.795 1.00 0.00 O +HETATM 1229 H1 UFX A 103 18.529 1.970 22.523 1.00 0.00 H +HETATM 1230 H2 UFX A 103 17.641 3.053 21.422 1.00 0.00 H +HETATM 1231 H3 UFX A 103 16.768 1.822 22.327 1.00 0.00 H +HETATM 1232 H4 UFX A 103 19.015 1.115 20.347 1.00 0.00 H +HETATM 1233 H5 UFX A 103 17.787 0.040 20.994 1.00 0.00 H +HETATM 1234 H6 UFX A 103 17.313 0.659 18.607 1.00 0.00 H +HETATM 1235 H7 UFX A 103 17.324 2.326 18.998 1.00 0.00 H +HETATM 1236 H8 UFX A 103 15.298 2.045 20.289 1.00 0.00 H +HETATM 1237 C1 UFX A 104 19.348 21.994 7.804 1.00 0.00 C +HETATM 1238 C2 UFX A 104 20.083 21.716 6.478 1.00 0.00 C +HETATM 1239 C3 UFX A 104 19.701 22.728 5.422 1.00 0.00 C +HETATM 1240 O1 UFX A 104 20.124 24.060 5.667 1.00 0.00 O +HETATM 1241 H1 UFX A 104 19.900 22.647 8.481 1.00 0.00 H +HETATM 1242 H2 UFX A 104 18.385 22.471 7.621 1.00 0.00 H +HETATM 1243 H3 UFX A 104 19.191 21.091 8.394 1.00 0.00 H +HETATM 1244 H4 UFX A 104 21.154 21.670 6.675 1.00 0.00 H +HETATM 1245 H5 UFX A 104 19.787 20.736 6.104 1.00 0.00 H +HETATM 1246 H6 UFX A 104 18.618 22.646 5.336 1.00 0.00 H +HETATM 1247 H7 UFX A 104 20.098 22.446 4.447 1.00 0.00 H +HETATM 1248 H8 UFX A 104 21.097 24.075 5.795 1.00 0.00 H +HETATM 1249 C1 UFX A 105 -3.599 27.939 3.224 1.00 0.00 C +HETATM 1250 C2 UFX A 105 -4.998 27.290 2.894 1.00 0.00 C +HETATM 1251 C3 UFX A 105 -5.956 27.043 4.072 1.00 0.00 C +HETATM 1252 O1 UFX A 105 -7.026 26.365 3.486 1.00 0.00 O +HETATM 1253 H1 UFX A 105 -3.631 28.950 3.630 1.00 0.00 H +HETATM 1254 H2 UFX A 105 -3.052 27.315 3.930 1.00 0.00 H +HETATM 1255 H3 UFX A 105 -2.989 28.027 2.325 1.00 0.00 H +HETATM 1256 H4 UFX A 105 -5.493 27.978 2.208 1.00 0.00 H +HETATM 1257 H5 UFX A 105 -4.848 26.396 2.289 1.00 0.00 H +HETATM 1258 H6 UFX A 105 -6.304 27.945 4.576 1.00 0.00 H +HETATM 1259 H7 UFX A 105 -5.437 26.426 4.806 1.00 0.00 H +HETATM 1260 H8 UFX A 105 -7.548 27.054 3.021 1.00 0.00 H +HETATM 1261 C1 UFX A 106 -2.894 26.819 39.503 1.00 0.00 C +HETATM 1262 C2 UFX A 106 -4.155 26.844 40.431 1.00 0.00 C +HETATM 1263 C3 UFX A 106 -3.832 27.214 41.899 1.00 0.00 C +HETATM 1264 O1 UFX A 106 -3.344 28.529 42.043 1.00 0.00 O +HETATM 1265 H1 UFX A 106 -2.317 25.972 39.877 1.00 0.00 H +HETATM 1266 H2 UFX A 106 -3.116 26.513 38.481 1.00 0.00 H +HETATM 1267 H3 UFX A 106 -2.341 27.757 39.560 1.00 0.00 H +HETATM 1268 H4 UFX A 106 -4.854 27.593 40.060 1.00 0.00 H +HETATM 1269 H5 UFX A 106 -4.668 25.888 40.323 1.00 0.00 H +HETATM 1270 H6 UFX A 106 -3.111 26.471 42.240 1.00 0.00 H +HETATM 1271 H7 UFX A 106 -4.748 27.087 42.476 1.00 0.00 H +HETATM 1272 H8 UFX A 106 -3.963 29.241 41.774 1.00 0.00 H +HETATM 1273 C1 UFX A 107 -16.433 25.530 5.790 1.00 0.00 C +HETATM 1274 C2 UFX A 107 -15.984 25.826 4.410 1.00 0.00 C +HETATM 1275 C3 UFX A 107 -14.647 25.120 4.143 1.00 0.00 C +HETATM 1276 O1 UFX A 107 -13.687 25.738 4.925 1.00 0.00 O +HETATM 1277 H1 UFX A 107 -16.736 24.490 5.911 1.00 0.00 H +HETATM 1278 H2 UFX A 107 -15.640 25.722 6.514 1.00 0.00 H +HETATM 1279 H3 UFX A 107 -17.280 26.201 5.936 1.00 0.00 H +HETATM 1280 H4 UFX A 107 -16.758 25.503 3.713 1.00 0.00 H +HETATM 1281 H5 UFX A 107 -15.949 26.912 4.318 1.00 0.00 H +HETATM 1282 H6 UFX A 107 -14.351 25.113 3.094 1.00 0.00 H +HETATM 1283 H7 UFX A 107 -14.834 24.086 4.432 1.00 0.00 H +HETATM 1284 H8 UFX A 107 -12.834 25.252 4.914 1.00 0.00 H +HETATM 1285 C1 UFX A 108 59.739 12.356 24.578 1.00 0.00 C +HETATM 1286 C2 UFX A 108 60.090 10.859 24.189 1.00 0.00 C +HETATM 1287 C3 UFX A 108 61.312 10.882 23.176 1.00 0.00 C +HETATM 1288 O1 UFX A 108 60.839 11.685 22.066 1.00 0.00 O +HETATM 1289 H1 UFX A 108 60.611 13.010 24.581 1.00 0.00 H +HETATM 1290 H2 UFX A 108 59.072 12.712 23.794 1.00 0.00 H +HETATM 1291 H3 UFX A 108 59.160 12.362 25.502 1.00 0.00 H +HETATM 1292 H4 UFX A 108 60.349 10.281 25.076 1.00 0.00 H +HETATM 1293 H5 UFX A 108 59.155 10.462 23.795 1.00 0.00 H +HETATM 1294 H6 UFX A 108 61.631 9.928 22.757 1.00 0.00 H +HETATM 1295 H7 UFX A 108 62.229 11.262 23.628 1.00 0.00 H +HETATM 1296 H8 UFX A 108 61.256 12.570 21.999 1.00 0.00 H +HETATM 1297 C1 UFX A 109 30.079 38.200 24.113 1.00 0.00 C +HETATM 1298 C2 UFX A 109 31.426 37.419 24.381 1.00 0.00 C +HETATM 1299 C3 UFX A 109 31.952 37.699 25.779 1.00 0.00 C +HETATM 1300 O1 UFX A 109 32.115 38.971 26.151 1.00 0.00 O +HETATM 1301 H1 UFX A 109 29.337 37.984 24.882 1.00 0.00 H +HETATM 1302 H2 UFX A 109 30.250 39.276 24.170 1.00 0.00 H +HETATM 1303 H3 UFX A 109 29.646 37.868 23.169 1.00 0.00 H +HETATM 1304 H4 UFX A 109 31.246 36.352 24.244 1.00 0.00 H +HETATM 1305 H5 UFX A 109 32.230 37.735 23.715 1.00 0.00 H +HETATM 1306 H6 UFX A 109 32.919 37.196 25.799 1.00 0.00 H +HETATM 1307 H7 UFX A 109 31.263 37.238 26.487 1.00 0.00 H +HETATM 1308 H8 UFX A 109 32.627 39.432 25.453 1.00 0.00 H +HETATM 1309 C1 UFX A 110 25.492 9.466 30.998 1.00 0.00 C +HETATM 1310 C2 UFX A 110 24.562 10.610 31.396 1.00 0.00 C +HETATM 1311 C3 UFX A 110 24.679 10.937 32.875 1.00 0.00 C +HETATM 1312 O1 UFX A 110 25.986 11.343 33.194 1.00 0.00 O +HETATM 1313 H1 UFX A 110 26.546 9.564 31.259 1.00 0.00 H +HETATM 1314 H2 UFX A 110 25.170 8.563 31.516 1.00 0.00 H +HETATM 1315 H3 UFX A 110 25.370 9.385 29.917 1.00 0.00 H +HETATM 1316 H4 UFX A 110 24.815 11.500 30.820 1.00 0.00 H +HETATM 1317 H5 UFX A 110 23.524 10.319 31.233 1.00 0.00 H +HETATM 1318 H6 UFX A 110 24.497 10.134 33.589 1.00 0.00 H +HETATM 1319 H7 UFX A 110 23.930 11.682 33.145 1.00 0.00 H +HETATM 1320 H8 UFX A 110 26.252 12.033 32.548 1.00 0.00 H +HETATM 1321 C1 UFX A 111 -16.914 31.579 7.389 1.00 0.00 C +HETATM 1322 C2 UFX A 111 -16.310 32.601 8.346 1.00 0.00 C +HETATM 1323 C3 UFX A 111 -15.785 31.922 9.664 1.00 0.00 C +HETATM 1324 O1 UFX A 111 -14.958 30.858 9.264 1.00 0.00 O +HETATM 1325 H1 UFX A 111 -16.171 30.818 7.149 1.00 0.00 H +HETATM 1326 H2 UFX A 111 -17.809 31.158 7.846 1.00 0.00 H +HETATM 1327 H3 UFX A 111 -17.169 32.045 6.437 1.00 0.00 H +HETATM 1328 H4 UFX A 111 -15.520 33.174 7.860 1.00 0.00 H +HETATM 1329 H5 UFX A 111 -17.156 33.261 8.538 1.00 0.00 H +HETATM 1330 H6 UFX A 111 -16.656 31.642 10.258 1.00 0.00 H +HETATM 1331 H7 UFX A 111 -15.271 32.718 10.203 1.00 0.00 H +HETATM 1332 H8 UFX A 111 -14.167 31.188 8.787 1.00 0.00 H +HETATM 1333 C1 UFX A 112 16.636 8.879 10.970 1.00 0.00 C +HETATM 1334 C2 UFX A 112 15.129 8.661 11.197 1.00 0.00 C +HETATM 1335 C3 UFX A 112 14.694 8.986 12.591 1.00 0.00 C +HETATM 1336 O1 UFX A 112 15.381 8.227 13.452 1.00 0.00 O +HETATM 1337 H1 UFX A 112 16.911 9.933 11.003 1.00 0.00 H +HETATM 1338 H2 UFX A 112 17.248 8.237 11.605 1.00 0.00 H +HETATM 1339 H3 UFX A 112 16.830 8.473 9.977 1.00 0.00 H +HETATM 1340 H4 UFX A 112 14.576 9.227 10.447 1.00 0.00 H +HETATM 1341 H5 UFX A 112 14.854 7.614 11.064 1.00 0.00 H +HETATM 1342 H6 UFX A 112 13.606 8.916 12.599 1.00 0.00 H +HETATM 1343 H7 UFX A 112 14.918 10.035 12.782 1.00 0.00 H +HETATM 1344 H8 UFX A 112 14.840 7.438 13.672 1.00 0.00 H +HETATM 1345 C1 UFX A 113 11.025 37.671 36.382 1.00 0.00 C +HETATM 1346 C2 UFX A 113 11.146 37.971 34.913 1.00 0.00 C +HETATM 1347 C3 UFX A 113 10.841 39.457 34.755 1.00 0.00 C +HETATM 1348 O1 UFX A 113 9.404 39.685 35.084 1.00 0.00 O +HETATM 1349 H1 UFX A 113 11.826 38.174 36.925 1.00 0.00 H +HETATM 1350 H2 UFX A 113 10.004 37.863 36.712 1.00 0.00 H +HETATM 1351 H3 UFX A 113 11.325 36.631 36.510 1.00 0.00 H +HETATM 1352 H4 UFX A 113 12.194 37.841 34.640 1.00 0.00 H +HETATM 1353 H5 UFX A 113 10.488 37.326 34.331 1.00 0.00 H +HETATM 1354 H6 UFX A 113 10.966 39.720 33.704 1.00 0.00 H +HETATM 1355 H7 UFX A 113 11.518 40.034 35.384 1.00 0.00 H +HETATM 1356 H8 UFX A 113 8.804 39.065 34.617 1.00 0.00 H +HETATM 1357 C1 UFX A 114 35.472 41.458 21.217 1.00 0.00 C +HETATM 1358 C2 UFX A 114 34.692 41.555 22.511 1.00 0.00 C +HETATM 1359 C3 UFX A 114 34.761 40.280 23.346 1.00 0.00 C +HETATM 1360 O1 UFX A 114 34.125 40.392 24.653 1.00 0.00 O +HETATM 1361 H1 UFX A 114 36.491 41.115 21.397 1.00 0.00 H +HETATM 1362 H2 UFX A 114 34.978 40.818 20.486 1.00 0.00 H +HETATM 1363 H3 UFX A 114 35.512 42.427 20.719 1.00 0.00 H +HETATM 1364 H4 UFX A 114 35.029 42.470 23.000 1.00 0.00 H +HETATM 1365 H5 UFX A 114 33.648 41.643 22.211 1.00 0.00 H +HETATM 1366 H6 UFX A 114 35.821 40.100 23.521 1.00 0.00 H +HETATM 1367 H7 UFX A 114 34.390 39.415 22.797 1.00 0.00 H +HETATM 1368 H8 UFX A 114 34.437 41.132 25.216 1.00 0.00 H +HETATM 1369 C1 UFX A 115 16.774 28.597 2.239 1.00 0.00 C +HETATM 1370 C2 UFX A 115 17.549 29.726 1.532 1.00 0.00 C +HETATM 1371 C3 UFX A 115 18.720 30.318 2.269 1.00 0.00 C +HETATM 1372 O1 UFX A 115 19.551 29.294 2.690 1.00 0.00 O +HETATM 1373 H1 UFX A 115 15.747 28.505 1.885 1.00 0.00 H +HETATM 1374 H2 UFX A 115 17.341 27.674 2.115 1.00 0.00 H +HETATM 1375 H3 UFX A 115 16.819 28.810 3.307 1.00 0.00 H +HETATM 1376 H4 UFX A 115 17.971 29.302 0.621 1.00 0.00 H +HETATM 1377 H5 UFX A 115 16.791 30.449 1.231 1.00 0.00 H +HETATM 1378 H6 UFX A 115 18.351 30.873 3.132 1.00 0.00 H +HETATM 1379 H7 UFX A 115 19.268 30.981 1.599 1.00 0.00 H +HETATM 1380 H8 UFX A 115 19.401 29.041 3.626 1.00 0.00 H +HETATM 1381 C1 UFX A 116 19.668 -13.692 22.958 1.00 0.00 C +HETATM 1382 C2 UFX A 116 18.540 -14.652 22.606 1.00 0.00 C +HETATM 1383 C3 UFX A 116 19.135 -15.730 21.658 1.00 0.00 C +HETATM 1384 O1 UFX A 116 18.242 -16.799 21.497 1.00 0.00 O +HETATM 1385 H1 UFX A 116 20.159 -13.426 22.022 1.00 0.00 H +HETATM 1386 H2 UFX A 116 19.318 -12.778 23.437 1.00 0.00 H +HETATM 1387 H3 UFX A 116 20.395 -14.161 23.622 1.00 0.00 H +HETATM 1388 H4 UFX A 116 18.313 -15.166 23.540 1.00 0.00 H +HETATM 1389 H5 UFX A 116 17.636 -14.193 22.205 1.00 0.00 H +HETATM 1390 H6 UFX A 116 20.046 -16.003 22.192 1.00 0.00 H +HETATM 1391 H7 UFX A 116 19.247 -15.283 20.670 1.00 0.00 H +HETATM 1392 H8 UFX A 116 17.465 -16.564 20.944 1.00 0.00 H +HETATM 1393 C1 UFX A 117 23.928 31.670 26.154 1.00 0.00 C +HETATM 1394 C2 UFX A 117 23.731 32.097 24.682 1.00 0.00 C +HETATM 1395 C3 UFX A 117 24.956 32.801 24.078 1.00 0.00 C +HETATM 1396 O1 UFX A 117 26.097 31.977 24.142 1.00 0.00 O +HETATM 1397 H1 UFX A 117 22.953 31.450 26.588 1.00 0.00 H +HETATM 1398 H2 UFX A 117 24.536 30.766 26.178 1.00 0.00 H +HETATM 1399 H3 UFX A 117 24.283 32.515 26.746 1.00 0.00 H +HETATM 1400 H4 UFX A 117 23.442 31.215 24.111 1.00 0.00 H +HETATM 1401 H5 UFX A 117 22.855 32.744 24.615 1.00 0.00 H +HETATM 1402 H6 UFX A 117 25.205 33.717 24.614 1.00 0.00 H +HETATM 1403 H7 UFX A 117 24.743 32.931 23.017 1.00 0.00 H +HETATM 1404 H8 UFX A 117 26.852 32.469 23.752 1.00 0.00 H +HETATM 1405 C1 UFX A 118 35.707 30.818 10.384 1.00 0.00 C +HETATM 1406 C2 UFX A 118 35.174 29.842 9.329 1.00 0.00 C +HETATM 1407 C3 UFX A 118 35.647 28.348 9.577 1.00 0.00 C +HETATM 1408 O1 UFX A 118 35.065 27.397 8.661 1.00 0.00 O +HETATM 1409 H1 UFX A 118 35.065 31.697 10.320 1.00 0.00 H +HETATM 1410 H2 UFX A 118 35.633 30.369 11.375 1.00 0.00 H +HETATM 1411 H3 UFX A 118 36.755 31.099 10.280 1.00 0.00 H +HETATM 1412 H4 UFX A 118 34.084 29.821 9.349 1.00 0.00 H +HETATM 1413 H5 UFX A 118 35.450 30.185 8.331 1.00 0.00 H +HETATM 1414 H6 UFX A 118 35.294 28.057 10.567 1.00 0.00 H +HETATM 1415 H7 UFX A 118 36.726 28.205 9.521 1.00 0.00 H +HETATM 1416 H8 UFX A 118 34.163 27.081 8.881 1.00 0.00 H +HETATM 1417 C1 UFX A 119 22.065 32.546 53.022 1.00 0.00 C +HETATM 1418 C2 UFX A 119 21.751 31.145 52.459 1.00 0.00 C +HETATM 1419 C3 UFX A 119 21.455 31.282 50.936 1.00 0.00 C +HETATM 1420 O1 UFX A 119 22.411 31.935 50.153 1.00 0.00 O +HETATM 1421 H1 UFX A 119 21.896 32.652 54.094 1.00 0.00 H +HETATM 1422 H2 UFX A 119 23.123 32.775 52.893 1.00 0.00 H +HETATM 1423 H3 UFX A 119 21.445 33.290 52.522 1.00 0.00 H +HETATM 1424 H4 UFX A 119 22.593 30.512 52.740 1.00 0.00 H +HETATM 1425 H5 UFX A 119 20.912 30.709 53.002 1.00 0.00 H +HETATM 1426 H6 UFX A 119 20.565 31.901 50.818 1.00 0.00 H +HETATM 1427 H7 UFX A 119 21.294 30.314 50.461 1.00 0.00 H +HETATM 1428 H8 UFX A 119 23.264 31.452 50.184 1.00 0.00 H +HETATM 1429 C1 UFX A 120 10.902 18.040 2.060 1.00 0.00 C +HETATM 1430 C2 UFX A 120 11.587 16.730 2.487 1.00 0.00 C +HETATM 1431 C3 UFX A 120 11.011 15.474 1.756 1.00 0.00 C +HETATM 1432 O1 UFX A 120 11.011 15.591 0.381 1.00 0.00 O +HETATM 1433 H1 UFX A 120 11.045 18.151 0.985 1.00 0.00 H +HETATM 1434 H2 UFX A 120 9.883 18.154 2.431 1.00 0.00 H +HETATM 1435 H3 UFX A 120 11.562 18.803 2.473 1.00 0.00 H +HETATM 1436 H4 UFX A 120 12.644 16.736 2.219 1.00 0.00 H +HETATM 1437 H5 UFX A 120 11.540 16.610 3.570 1.00 0.00 H +HETATM 1438 H6 UFX A 120 10.039 15.231 2.186 1.00 0.00 H +HETATM 1439 H7 UFX A 120 11.603 14.609 2.056 1.00 0.00 H +HETATM 1440 H8 UFX A 120 10.395 16.289 0.070 1.00 0.00 H +HETATM 1441 C1 UFX A 121 11.393 8.563 21.010 1.00 0.00 C +HETATM 1442 C2 UFX A 121 11.469 7.115 21.074 1.00 0.00 C +HETATM 1443 C3 UFX A 121 10.525 6.522 20.044 1.00 0.00 C +HETATM 1444 O1 UFX A 121 10.557 5.133 20.242 1.00 0.00 O +HETATM 1445 H1 UFX A 121 11.958 8.934 21.865 1.00 0.00 H +HETATM 1446 H2 UFX A 121 11.786 8.965 20.075 1.00 0.00 H +HETATM 1447 H3 UFX A 121 10.376 8.910 21.190 1.00 0.00 H +HETATM 1448 H4 UFX A 121 12.499 6.763 21.031 1.00 0.00 H +HETATM 1449 H5 UFX A 121 11.280 6.750 22.083 1.00 0.00 H +HETATM 1450 H6 UFX A 121 10.874 6.660 19.021 1.00 0.00 H +HETATM 1451 H7 UFX A 121 9.479 6.829 20.034 1.00 0.00 H +HETATM 1452 H8 UFX A 121 9.880 4.795 20.867 1.00 0.00 H +HETATM 1453 C1 UFX A 122 20.138 26.611 23.496 1.00 0.00 C +HETATM 1454 C2 UFX A 122 19.455 26.175 24.827 1.00 0.00 C +HETATM 1455 C3 UFX A 122 20.397 26.351 26.012 1.00 0.00 C +HETATM 1456 O1 UFX A 122 20.451 27.759 26.376 1.00 0.00 O +HETATM 1457 H1 UFX A 122 20.320 27.686 23.516 1.00 0.00 H +HETATM 1458 H2 UFX A 122 21.113 26.124 23.457 1.00 0.00 H +HETATM 1459 H3 UFX A 122 19.553 26.280 22.638 1.00 0.00 H +HETATM 1460 H4 UFX A 122 18.537 26.745 24.976 1.00 0.00 H +HETATM 1461 H5 UFX A 122 19.173 25.122 24.833 1.00 0.00 H +HETATM 1462 H6 UFX A 122 21.314 25.844 25.712 1.00 0.00 H +HETATM 1463 H7 UFX A 122 19.939 25.858 26.869 1.00 0.00 H +HETATM 1464 H8 UFX A 122 19.569 28.042 26.701 1.00 0.00 H +HETATM 1465 C1 UFX A 123 15.225 4.664 23.552 1.00 0.00 C +HETATM 1466 C2 UFX A 123 14.202 5.141 22.569 1.00 0.00 C +HETATM 1467 C3 UFX A 123 13.747 4.002 21.777 1.00 0.00 C +HETATM 1468 O1 UFX A 123 14.672 3.540 20.806 1.00 0.00 O +HETATM 1469 H1 UFX A 123 15.435 5.485 24.237 1.00 0.00 H +HETATM 1470 H2 UFX A 123 14.887 3.786 24.101 1.00 0.00 H +HETATM 1471 H3 UFX A 123 16.131 4.333 23.043 1.00 0.00 H +HETATM 1472 H4 UFX A 123 13.427 5.611 23.175 1.00 0.00 H +HETATM 1473 H5 UFX A 123 14.645 5.930 21.961 1.00 0.00 H +HETATM 1474 H6 UFX A 123 12.788 4.226 21.309 1.00 0.00 H +HETATM 1475 H7 UFX A 123 13.432 3.208 22.455 1.00 0.00 H +HETATM 1476 H8 UFX A 123 14.803 4.232 20.123 1.00 0.00 H +HETATM 1477 C1 UFX A 124 29.446 48.386 27.340 1.00 0.00 C +HETATM 1478 C2 UFX A 124 29.434 48.666 28.834 1.00 0.00 C +HETATM 1479 C3 UFX A 124 29.127 50.144 29.103 1.00 0.00 C +HETATM 1480 O1 UFX A 124 27.750 50.422 28.893 1.00 0.00 O +HETATM 1481 H1 UFX A 124 29.571 47.323 27.134 1.00 0.00 H +HETATM 1482 H2 UFX A 124 28.441 48.655 27.013 1.00 0.00 H +HETATM 1483 H3 UFX A 124 30.256 48.884 26.806 1.00 0.00 H +HETATM 1484 H4 UFX A 124 28.761 48.009 29.386 1.00 0.00 H +HETATM 1485 H5 UFX A 124 30.399 48.453 29.295 1.00 0.00 H +HETATM 1486 H6 UFX A 124 29.829 50.754 28.535 1.00 0.00 H +HETATM 1487 H7 UFX A 124 29.339 50.441 30.131 1.00 0.00 H +HETATM 1488 H8 UFX A 124 27.591 50.611 27.943 1.00 0.00 H +HETATM 1489 C1 UFX A 125 23.454 8.854 16.204 1.00 0.00 C +HETATM 1490 C2 UFX A 125 23.732 10.272 16.839 1.00 0.00 C +HETATM 1491 C3 UFX A 125 23.835 10.135 18.406 1.00 0.00 C +HETATM 1492 O1 UFX A 125 23.871 11.350 19.113 1.00 0.00 O +HETATM 1493 H1 UFX A 125 22.685 8.420 16.843 1.00 0.00 H +HETATM 1494 H2 UFX A 125 22.913 9.011 15.271 1.00 0.00 H +HETATM 1495 H3 UFX A 125 24.326 8.200 16.205 1.00 0.00 H +HETATM 1496 H4 UFX A 125 24.668 10.686 16.463 1.00 0.00 H +HETATM 1497 H5 UFX A 125 22.928 10.980 16.641 1.00 0.00 H +HETATM 1498 H6 UFX A 125 24.731 9.525 18.522 1.00 0.00 H +HETATM 1499 H7 UFX A 125 23.018 9.518 18.781 1.00 0.00 H +HETATM 1500 H8 UFX A 125 24.781 11.713 19.051 1.00 0.00 H +HETATM 1501 C1 UFX A 126 -0.646 28.410 19.859 1.00 0.00 C +HETATM 1502 C2 UFX A 126 -1.584 29.372 20.474 1.00 0.00 C +HETATM 1503 C3 UFX A 126 -1.628 29.007 22.000 1.00 0.00 C +HETATM 1504 O1 UFX A 126 -2.518 29.847 22.656 1.00 0.00 O +HETATM 1505 H1 UFX A 126 -0.472 28.590 18.798 1.00 0.00 H +HETATM 1506 H2 UFX A 126 0.359 28.472 20.275 1.00 0.00 H +HETATM 1507 H3 UFX A 126 -0.928 27.369 20.018 1.00 0.00 H +HETATM 1508 H4 UFX A 126 -1.226 30.384 20.282 1.00 0.00 H +HETATM 1509 H5 UFX A 126 -2.572 29.263 20.027 1.00 0.00 H +HETATM 1510 H6 UFX A 126 -0.640 29.033 22.460 1.00 0.00 H +HETATM 1511 H7 UFX A 126 -2.025 28.003 22.149 1.00 0.00 H +HETATM 1512 H8 UFX A 126 -3.475 29.642 22.586 1.00 0.00 H +HETATM 1513 C1 UFX A 127 21.065 7.450 25.478 1.00 0.00 C +HETATM 1514 C2 UFX A 127 22.163 8.356 25.906 1.00 0.00 C +HETATM 1515 C3 UFX A 127 23.381 7.588 26.111 1.00 0.00 C +HETATM 1516 O1 UFX A 127 23.729 6.846 24.935 1.00 0.00 O +HETATM 1517 H1 UFX A 127 20.885 6.578 26.105 1.00 0.00 H +HETATM 1518 H2 UFX A 127 20.130 8.010 25.527 1.00 0.00 H +HETATM 1519 H3 UFX A 127 21.024 7.116 24.441 1.00 0.00 H +HETATM 1520 H4 UFX A 127 22.275 9.120 25.137 1.00 0.00 H +HETATM 1521 H5 UFX A 127 21.800 8.858 26.803 1.00 0.00 H +HETATM 1522 H6 UFX A 127 23.295 6.977 27.010 1.00 0.00 H +HETATM 1523 H7 UFX A 127 24.209 8.276 26.282 1.00 0.00 H +HETATM 1524 H8 UFX A 127 24.684 6.654 24.823 1.00 0.00 H +HETATM 1525 C1 UFX A 128 1.808 34.151 15.634 1.00 0.00 C +HETATM 1526 C2 UFX A 128 0.624 33.695 16.520 1.00 0.00 C +HETATM 1527 C3 UFX A 128 0.931 32.727 17.612 1.00 0.00 C +HETATM 1528 O1 UFX A 128 2.144 33.003 18.310 1.00 0.00 O +HETATM 1529 H1 UFX A 128 2.471 33.306 15.449 1.00 0.00 H +HETATM 1530 H2 UFX A 128 1.438 34.460 14.656 1.00 0.00 H +HETATM 1531 H3 UFX A 128 2.431 34.922 16.088 1.00 0.00 H +HETATM 1532 H4 UFX A 128 0.074 34.524 16.966 1.00 0.00 H +HETATM 1533 H5 UFX A 128 -0.003 33.121 15.838 1.00 0.00 H +HETATM 1534 H6 UFX A 128 0.996 31.701 17.250 1.00 0.00 H +HETATM 1535 H7 UFX A 128 0.083 32.728 18.297 1.00 0.00 H +HETATM 1536 H8 UFX A 128 2.914 32.950 17.704 1.00 0.00 H +HETATM 1537 C1 UFX A 129 -3.456 7.934 28.005 1.00 0.00 C +HETATM 1538 C2 UFX A 129 -2.734 7.544 29.264 1.00 0.00 C +HETATM 1539 C3 UFX A 129 -3.209 6.132 29.622 1.00 0.00 C +HETATM 1540 O1 UFX A 129 -2.644 5.541 30.718 1.00 0.00 O +HETATM 1541 H1 UFX A 129 -3.313 7.242 27.175 1.00 0.00 H +HETATM 1542 H2 UFX A 129 -4.533 7.960 28.168 1.00 0.00 H +HETATM 1543 H3 UFX A 129 -3.176 8.911 27.611 1.00 0.00 H +HETATM 1544 H4 UFX A 129 -1.650 7.618 29.169 1.00 0.00 H +HETATM 1545 H5 UFX A 129 -3.028 8.219 30.068 1.00 0.00 H +HETATM 1546 H6 UFX A 129 -3.062 5.554 28.709 1.00 0.00 H +HETATM 1547 H7 UFX A 129 -4.254 6.182 29.930 1.00 0.00 H +HETATM 1548 H8 UFX A 129 -2.674 6.154 31.483 1.00 0.00 H +HETATM 1549 C1 UFX A 130 31.063 6.450 19.893 1.00 0.00 C +HETATM 1550 C2 UFX A 130 32.284 5.663 20.394 1.00 0.00 C +HETATM 1551 C3 UFX A 130 31.931 4.228 20.338 1.00 0.00 C +HETATM 1552 O1 UFX A 130 33.052 3.439 20.320 1.00 0.00 O +HETATM 1553 H1 UFX A 130 30.182 6.280 20.512 1.00 0.00 H +HETATM 1554 H2 UFX A 130 31.220 7.508 20.099 1.00 0.00 H +HETATM 1555 H3 UFX A 130 30.800 6.249 18.854 1.00 0.00 H +HETATM 1556 H4 UFX A 130 33.102 5.899 19.714 1.00 0.00 H +HETATM 1557 H5 UFX A 130 32.536 5.941 21.418 1.00 0.00 H +HETATM 1558 H6 UFX A 130 31.253 4.025 19.509 1.00 0.00 H +HETATM 1559 H7 UFX A 130 31.292 3.950 21.176 1.00 0.00 H +HETATM 1560 H8 UFX A 130 32.829 2.528 20.033 1.00 0.00 H +HETATM 1561 C1 UFX A 131 13.897 47.069 22.613 1.00 0.00 C +HETATM 1562 C2 UFX A 131 13.604 47.046 24.162 1.00 0.00 C +HETATM 1563 C3 UFX A 131 12.172 47.345 24.490 1.00 0.00 C +HETATM 1564 O1 UFX A 131 11.771 48.649 24.065 1.00 0.00 O +HETATM 1565 H1 UFX A 131 13.386 47.851 22.050 1.00 0.00 H +HETATM 1566 H2 UFX A 131 14.983 47.081 22.528 1.00 0.00 H +HETATM 1567 H3 UFX A 131 13.455 46.193 22.138 1.00 0.00 H +HETATM 1568 H4 UFX A 131 13.988 46.167 24.679 1.00 0.00 H +HETATM 1569 H5 UFX A 131 14.192 47.831 24.639 1.00 0.00 H +HETATM 1570 H6 UFX A 131 12.107 47.284 25.577 1.00 0.00 H +HETATM 1571 H7 UFX A 131 11.658 46.483 24.066 1.00 0.00 H +HETATM 1572 H8 UFX A 131 10.824 48.844 24.233 1.00 0.00 H +HETATM 1573 C1 UFX A 132 31.130 15.596 10.734 1.00 0.00 C +HETATM 1574 C2 UFX A 132 29.742 15.323 11.392 1.00 0.00 C +HETATM 1575 C3 UFX A 132 28.614 14.971 10.438 1.00 0.00 C +HETATM 1576 O1 UFX A 132 27.914 16.180 9.931 1.00 0.00 O +HETATM 1577 H1 UFX A 132 31.061 16.458 10.070 1.00 0.00 H +HETATM 1578 H2 UFX A 132 31.833 15.756 11.552 1.00 0.00 H +HETATM 1579 H3 UFX A 132 31.584 14.706 10.298 1.00 0.00 H +HETATM 1580 H4 UFX A 132 29.919 14.475 12.054 1.00 0.00 H +HETATM 1581 H5 UFX A 132 29.460 16.185 11.997 1.00 0.00 H +HETATM 1582 H6 UFX A 132 27.905 14.405 11.041 1.00 0.00 H +HETATM 1583 H7 UFX A 132 28.922 14.317 9.622 1.00 0.00 H +HETATM 1584 H8 UFX A 132 27.863 16.111 8.954 1.00 0.00 H +HETATM 1585 C1 UFX A 133 -9.032 21.974 28.462 1.00 0.00 C +HETATM 1586 C2 UFX A 133 -10.109 22.720 29.268 1.00 0.00 C +HETATM 1587 C3 UFX A 133 -11.017 23.525 28.245 1.00 0.00 C +HETATM 1588 O1 UFX A 133 -11.575 22.656 27.332 1.00 0.00 O +HETATM 1589 H1 UFX A 133 -8.598 22.643 27.719 1.00 0.00 H +HETATM 1590 H2 UFX A 133 -8.209 21.638 29.094 1.00 0.00 H +HETATM 1591 H3 UFX A 133 -9.447 21.132 27.909 1.00 0.00 H +HETATM 1592 H4 UFX A 133 -10.729 22.048 29.861 1.00 0.00 H +HETATM 1593 H5 UFX A 133 -9.566 23.428 29.894 1.00 0.00 H +HETATM 1594 H6 UFX A 133 -10.386 24.249 27.728 1.00 0.00 H +HETATM 1595 H7 UFX A 133 -11.812 23.972 28.842 1.00 0.00 H +HETATM 1596 H8 UFX A 133 -12.403 22.190 27.578 1.00 0.00 H +HETATM 1597 C1 UFX A 134 16.224 13.511 3.156 1.00 0.00 C +HETATM 1598 C2 UFX A 134 16.985 12.422 3.913 1.00 0.00 C +HETATM 1599 C3 UFX A 134 16.791 11.132 3.226 1.00 0.00 C +HETATM 1600 O1 UFX A 134 15.437 10.726 3.147 1.00 0.00 O +HETATM 1601 H1 UFX A 134 15.150 13.332 3.123 1.00 0.00 H +HETATM 1602 H2 UFX A 134 16.375 14.393 3.778 1.00 0.00 H +HETATM 1603 H3 UFX A 134 16.662 13.597 2.161 1.00 0.00 H +HETATM 1604 H4 UFX A 134 18.054 12.635 3.930 1.00 0.00 H +HETATM 1605 H5 UFX A 134 16.637 12.379 4.946 1.00 0.00 H +HETATM 1606 H6 UFX A 134 17.323 10.380 3.809 1.00 0.00 H +HETATM 1607 H7 UFX A 134 17.233 11.165 2.230 1.00 0.00 H +HETATM 1608 H8 UFX A 134 15.056 10.667 4.049 1.00 0.00 H +HETATM 1609 C1 UFX A 135 -3.722 6.076 8.117 1.00 0.00 C +HETATM 1610 C2 UFX A 135 -2.548 6.826 7.484 1.00 0.00 C +HETATM 1611 C3 UFX A 135 -1.834 5.942 6.373 1.00 0.00 C +HETATM 1612 O1 UFX A 135 -0.986 5.015 7.097 1.00 0.00 O +HETATM 1613 H1 UFX A 135 -4.211 6.724 8.844 1.00 0.00 H +HETATM 1614 H2 UFX A 135 -4.372 5.691 7.331 1.00 0.00 H +HETATM 1615 H3 UFX A 135 -3.306 5.247 8.691 1.00 0.00 H +HETATM 1616 H4 UFX A 135 -2.957 7.724 7.021 1.00 0.00 H +HETATM 1617 H5 UFX A 135 -1.780 7.029 8.231 1.00 0.00 H +HETATM 1618 H6 UFX A 135 -1.181 6.564 5.760 1.00 0.00 H +HETATM 1619 H7 UFX A 135 -2.555 5.515 5.676 1.00 0.00 H +HETATM 1620 H8 UFX A 135 -0.242 5.432 7.582 1.00 0.00 H +HETATM 1621 C1 UFX A 136 1.892 38.382 32.174 1.00 0.00 C +HETATM 1622 C2 UFX A 136 2.341 38.735 30.733 1.00 0.00 C +HETATM 1623 C3 UFX A 136 1.255 38.749 29.644 1.00 0.00 C +HETATM 1624 O1 UFX A 136 1.906 38.494 28.383 1.00 0.00 O +HETATM 1625 H1 UFX A 136 0.971 38.940 32.349 1.00 0.00 H +HETATM 1626 H2 UFX A 136 1.611 37.330 32.221 1.00 0.00 H +HETATM 1627 H3 UFX A 136 2.715 38.506 32.878 1.00 0.00 H +HETATM 1628 H4 UFX A 136 2.825 39.710 30.787 1.00 0.00 H +HETATM 1629 H5 UFX A 136 3.113 38.009 30.479 1.00 0.00 H +HETATM 1630 H6 UFX A 136 0.705 39.690 29.673 1.00 0.00 H +HETATM 1631 H7 UFX A 136 0.511 37.968 29.800 1.00 0.00 H +HETATM 1632 H8 UFX A 136 1.270 38.663 27.656 1.00 0.00 H +HETATM 1633 C1 UFX A 137 8.099 -1.367 6.375 1.00 0.00 C +HETATM 1634 C2 UFX A 137 8.481 -0.216 7.250 1.00 0.00 C +HETATM 1635 C3 UFX A 137 7.810 -0.197 8.559 1.00 0.00 C +HETATM 1636 O1 UFX A 137 8.233 -1.217 9.473 1.00 0.00 O +HETATM 1637 H1 UFX A 137 8.578 -2.324 6.586 1.00 0.00 H +HETATM 1638 H2 UFX A 137 7.038 -1.616 6.424 1.00 0.00 H +HETATM 1639 H3 UFX A 137 8.322 -1.051 5.357 1.00 0.00 H +HETATM 1640 H4 UFX A 137 9.544 -0.187 7.488 1.00 0.00 H +HETATM 1641 H5 UFX A 137 8.280 0.738 6.763 1.00 0.00 H +HETATM 1642 H6 UFX A 137 6.722 -0.251 8.513 1.00 0.00 H +HETATM 1643 H7 UFX A 137 8.093 0.724 9.071 1.00 0.00 H +HETATM 1644 H8 UFX A 137 7.779 -1.084 10.332 1.00 0.00 H +HETATM 1645 C1 UFX A 138 11.469 12.731 5.058 1.00 0.00 C +HETATM 1646 C2 UFX A 138 12.071 14.099 5.427 1.00 0.00 C +HETATM 1647 C3 UFX A 138 12.437 14.174 6.955 1.00 0.00 C +HETATM 1648 O1 UFX A 138 13.455 13.336 7.173 1.00 0.00 O +HETATM 1649 H1 UFX A 138 10.623 12.547 5.720 1.00 0.00 H +HETATM 1650 H2 UFX A 138 11.409 12.483 3.998 1.00 0.00 H +HETATM 1651 H3 UFX A 138 12.168 11.980 5.425 1.00 0.00 H +HETATM 1652 H4 UFX A 138 12.977 14.230 4.835 1.00 0.00 H +HETATM 1653 H5 UFX A 138 11.310 14.830 5.154 1.00 0.00 H +HETATM 1654 H6 UFX A 138 11.589 13.917 7.590 1.00 0.00 H +HETATM 1655 H7 UFX A 138 12.751 15.193 7.185 1.00 0.00 H +HETATM 1656 H8 UFX A 138 13.793 13.415 8.091 1.00 0.00 H +HETATM 1657 C1 UFX A 139 -4.565 34.476 26.664 1.00 0.00 C +HETATM 1658 C2 UFX A 139 -4.362 35.429 25.545 1.00 0.00 C +HETATM 1659 C3 UFX A 139 -5.453 36.512 25.595 1.00 0.00 C +HETATM 1660 O1 UFX A 139 -5.391 37.488 24.541 1.00 0.00 O +HETATM 1661 H1 UFX A 139 -4.664 34.939 27.646 1.00 0.00 H +HETATM 1662 H2 UFX A 139 -5.422 33.852 26.411 1.00 0.00 H +HETATM 1663 H3 UFX A 139 -3.750 33.753 26.700 1.00 0.00 H +HETATM 1664 H4 UFX A 139 -3.376 35.891 25.614 1.00 0.00 H +HETATM 1665 H5 UFX A 139 -4.371 34.950 24.566 1.00 0.00 H +HETATM 1666 H6 UFX A 139 -5.410 37.011 26.563 1.00 0.00 H +HETATM 1667 H7 UFX A 139 -6.412 36.003 25.693 1.00 0.00 H +HETATM 1668 H8 UFX A 139 -5.622 37.122 23.660 1.00 0.00 H +HETATM 1669 C1 UFX A 140 -6.115 -11.986 -7.685 1.00 0.00 C +HETATM 1670 C2 UFX A 140 -5.560 -10.858 -6.754 1.00 0.00 C +HETATM 1671 C3 UFX A 140 -5.243 -11.211 -5.376 1.00 0.00 C +HETATM 1672 O1 UFX A 140 -4.205 -12.214 -5.210 1.00 0.00 O +HETATM 1673 H1 UFX A 140 -7.068 -12.337 -7.288 1.00 0.00 H +HETATM 1674 H2 UFX A 140 -6.220 -11.621 -8.707 1.00 0.00 H +HETATM 1675 H3 UFX A 140 -5.390 -12.799 -7.676 1.00 0.00 H +HETATM 1676 H4 UFX A 140 -4.630 -10.463 -7.164 1.00 0.00 H +HETATM 1677 H5 UFX A 140 -6.241 -10.008 -6.783 1.00 0.00 H +HETATM 1678 H6 UFX A 140 -6.096 -11.472 -4.749 1.00 0.00 H +HETATM 1679 H7 UFX A 140 -5.009 -10.313 -4.804 1.00 0.00 H +HETATM 1680 H8 UFX A 140 -3.382 -11.922 -5.658 1.00 0.00 H +HETATM 1681 C1 UFX A 141 23.844 43.501 12.392 1.00 0.00 C +HETATM 1682 C2 UFX A 141 24.396 44.606 13.303 1.00 0.00 C +HETATM 1683 C3 UFX A 141 24.916 45.858 12.499 1.00 0.00 C +HETATM 1684 O1 UFX A 141 23.869 46.490 11.707 1.00 0.00 O +HETATM 1685 H1 UFX A 141 22.879 43.745 11.948 1.00 0.00 H +HETATM 1686 H2 UFX A 141 24.582 43.257 11.628 1.00 0.00 H +HETATM 1687 H3 UFX A 141 23.769 42.612 13.019 1.00 0.00 H +HETATM 1688 H4 UFX A 141 23.602 44.809 14.022 1.00 0.00 H +HETATM 1689 H5 UFX A 141 25.253 44.211 13.848 1.00 0.00 H +HETATM 1690 H6 UFX A 141 25.736 45.512 11.869 1.00 0.00 H +HETATM 1691 H7 UFX A 141 25.437 46.490 13.218 1.00 0.00 H +HETATM 1692 H8 UFX A 141 24.144 47.384 11.411 1.00 0.00 H +HETATM 1693 C1 UFX A 142 48.011 15.285 8.170 1.00 0.00 C +HETATM 1694 C2 UFX A 142 48.056 14.571 9.565 1.00 0.00 C +HETATM 1695 C3 UFX A 142 47.490 13.178 9.486 1.00 0.00 C +HETATM 1696 O1 UFX A 142 46.155 13.275 9.698 1.00 0.00 O +HETATM 1697 H1 UFX A 142 48.549 16.232 8.223 1.00 0.00 H +HETATM 1698 H2 UFX A 142 48.364 14.584 7.413 1.00 0.00 H +HETATM 1699 H3 UFX A 142 46.986 15.447 7.838 1.00 0.00 H +HETATM 1700 H4 UFX A 142 49.105 14.511 9.857 1.00 0.00 H +HETATM 1701 H5 UFX A 142 47.530 15.211 10.273 1.00 0.00 H +HETATM 1702 H6 UFX A 142 47.846 12.642 10.366 1.00 0.00 H +HETATM 1703 H7 UFX A 142 47.813 12.663 8.581 1.00 0.00 H +HETATM 1704 H8 UFX A 142 45.961 13.542 10.621 1.00 0.00 H +HETATM 1705 C1 UFX A 143 23.258 29.401 29.144 1.00 0.00 C +HETATM 1706 C2 UFX A 143 21.885 28.692 29.499 1.00 0.00 C +HETATM 1707 C3 UFX A 143 20.683 29.672 29.398 1.00 0.00 C +HETATM 1708 O1 UFX A 143 19.582 29.252 30.180 1.00 0.00 O +HETATM 1709 H1 UFX A 143 23.397 30.388 29.584 1.00 0.00 H +HETATM 1710 H2 UFX A 143 24.113 28.750 29.327 1.00 0.00 H +HETATM 1711 H3 UFX A 143 23.205 29.561 28.067 1.00 0.00 H +HETATM 1712 H4 UFX A 143 21.815 27.753 28.949 1.00 0.00 H +HETATM 1713 H5 UFX A 143 21.914 28.354 30.535 1.00 0.00 H +HETATM 1714 H6 UFX A 143 20.471 29.834 28.341 1.00 0.00 H +HETATM 1715 H7 UFX A 143 20.961 30.657 29.774 1.00 0.00 H +HETATM 1716 H8 UFX A 143 19.888 28.906 31.046 1.00 0.00 H +HETATM 1717 C1 UFX A 144 21.698 10.166 3.742 1.00 0.00 C +HETATM 1718 C2 UFX A 144 20.410 10.155 2.908 1.00 0.00 C +HETATM 1719 C3 UFX A 144 20.299 11.242 1.837 1.00 0.00 C +HETATM 1720 O1 UFX A 144 21.139 10.949 0.787 1.00 0.00 O +HETATM 1721 H1 UFX A 144 22.555 10.380 3.104 1.00 0.00 H +HETATM 1722 H2 UFX A 144 21.692 10.855 4.587 1.00 0.00 H +HETATM 1723 H3 UFX A 144 21.901 9.171 4.139 1.00 0.00 H +HETATM 1724 H4 UFX A 144 20.190 9.190 2.452 1.00 0.00 H +HETATM 1725 H5 UFX A 144 19.538 10.177 3.561 1.00 0.00 H +HETATM 1726 H6 UFX A 144 20.628 12.196 2.249 1.00 0.00 H +HETATM 1727 H7 UFX A 144 19.273 11.355 1.486 1.00 0.00 H +HETATM 1728 H8 UFX A 144 21.073 10.007 0.522 1.00 0.00 H +HETATM 1729 C1 UFX A 145 29.611 47.284 23.705 1.00 0.00 C +HETATM 1730 C2 UFX A 145 28.876 47.377 22.398 1.00 0.00 C +HETATM 1731 C3 UFX A 145 29.818 47.165 21.202 1.00 0.00 C +HETATM 1732 O1 UFX A 145 30.149 45.796 21.309 1.00 0.00 O +HETATM 1733 H1 UFX A 145 30.269 48.135 23.881 1.00 0.00 H +HETATM 1734 H2 UFX A 145 28.848 47.314 24.483 1.00 0.00 H +HETATM 1735 H3 UFX A 145 30.198 46.373 23.819 1.00 0.00 H +HETATM 1736 H4 UFX A 145 28.071 46.642 22.412 1.00 0.00 H +HETATM 1737 H5 UFX A 145 28.346 48.325 22.307 1.00 0.00 H +HETATM 1738 H6 UFX A 145 30.687 47.823 21.223 1.00 0.00 H +HETATM 1739 H7 UFX A 145 29.341 47.350 20.240 1.00 0.00 H +HETATM 1740 H8 UFX A 145 30.907 45.558 20.734 1.00 0.00 H +HETATM 1741 C1 UFX A 146 44.168 53.271 28.847 1.00 0.00 C +HETATM 1742 C2 UFX A 146 43.972 52.340 30.028 1.00 0.00 C +HETATM 1743 C3 UFX A 146 44.546 50.879 29.757 1.00 0.00 C +HETATM 1744 O1 UFX A 146 43.656 50.124 28.863 1.00 0.00 O +HETATM 1745 H1 UFX A 146 43.558 54.159 29.014 1.00 0.00 H +HETATM 1746 H2 UFX A 146 45.179 53.631 28.650 1.00 0.00 H +HETATM 1747 H3 UFX A 146 43.727 52.920 27.914 1.00 0.00 H +HETATM 1748 H4 UFX A 146 44.523 52.755 30.872 1.00 0.00 H +HETATM 1749 H5 UFX A 146 42.923 52.278 30.316 1.00 0.00 H +HETATM 1750 H6 UFX A 146 44.584 50.354 30.712 1.00 0.00 H +HETATM 1751 H7 UFX A 146 45.520 50.936 29.271 1.00 0.00 H +HETATM 1752 H8 UFX A 146 43.947 49.195 28.736 1.00 0.00 H +HETATM 1753 C1 UFX A 147 54.131 7.322 31.576 1.00 0.00 C +HETATM 1754 C2 UFX A 147 53.456 7.326 30.245 1.00 0.00 C +HETATM 1755 C3 UFX A 147 52.387 8.445 29.968 1.00 0.00 C +HETATM 1756 O1 UFX A 147 51.384 8.388 30.917 1.00 0.00 O +HETATM 1757 H1 UFX A 147 53.361 7.010 32.283 1.00 0.00 H +HETATM 1758 H2 UFX A 147 54.926 6.577 31.553 1.00 0.00 H +HETATM 1759 H3 UFX A 147 54.616 8.278 31.775 1.00 0.00 H +HETATM 1760 H4 UFX A 147 54.124 7.365 29.385 1.00 0.00 H +HETATM 1761 H5 UFX A 147 52.958 6.371 30.075 1.00 0.00 H +HETATM 1762 H6 UFX A 147 51.926 8.270 28.996 1.00 0.00 H +HETATM 1763 H7 UFX A 147 52.884 9.415 29.982 1.00 0.00 H +HETATM 1764 H8 UFX A 147 50.739 7.691 30.670 1.00 0.00 H +HETATM 1765 C1 UFX A 148 23.061 58.508 7.373 1.00 0.00 C +HETATM 1766 C2 UFX A 148 23.893 57.287 7.773 1.00 0.00 C +HETATM 1767 C3 UFX A 148 23.127 55.954 7.720 1.00 0.00 C +HETATM 1768 O1 UFX A 148 22.736 55.651 6.441 1.00 0.00 O +HETATM 1769 H1 UFX A 148 22.217 58.752 8.018 1.00 0.00 H +HETATM 1770 H2 UFX A 148 23.709 59.375 7.244 1.00 0.00 H +HETATM 1771 H3 UFX A 148 22.645 58.381 6.373 1.00 0.00 H +HETATM 1772 H4 UFX A 148 24.741 57.129 7.106 1.00 0.00 H +HETATM 1773 H5 UFX A 148 24.341 57.440 8.755 1.00 0.00 H +HETATM 1774 H6 UFX A 148 22.259 55.993 8.379 1.00 0.00 H +HETATM 1775 H7 UFX A 148 23.761 55.151 8.097 1.00 0.00 H +HETATM 1776 H8 UFX A 148 23.526 55.577 5.865 1.00 0.00 H +HETATM 1777 C1 UFX A 149 12.148 9.991 48.576 1.00 0.00 C +HETATM 1778 C2 UFX A 149 12.176 10.364 47.138 1.00 0.00 C +HETATM 1779 C3 UFX A 149 12.944 11.704 46.949 1.00 0.00 C +HETATM 1780 O1 UFX A 149 12.951 11.951 45.606 1.00 0.00 O +HETATM 1781 H1 UFX A 149 11.657 9.022 48.671 1.00 0.00 H +HETATM 1782 H2 UFX A 149 13.191 9.925 48.886 1.00 0.00 H +HETATM 1783 H3 UFX A 149 11.507 10.721 49.070 1.00 0.00 H +HETATM 1784 H4 UFX A 149 12.704 9.605 46.561 1.00 0.00 H +HETATM 1785 H5 UFX A 149 11.157 10.464 46.765 1.00 0.00 H +HETATM 1786 H6 UFX A 149 13.923 11.546 47.403 1.00 0.00 H +HETATM 1787 H7 UFX A 149 12.425 12.552 47.397 1.00 0.00 H +HETATM 1788 H8 UFX A 149 12.080 12.240 45.259 1.00 0.00 H +HETATM 1789 C1 UFX A 150 9.412 22.643 0.715 1.00 0.00 C +HETATM 1790 C2 UFX A 150 9.726 21.503 1.675 1.00 0.00 C +HETATM 1791 C3 UFX A 150 9.909 21.948 3.128 1.00 0.00 C +HETATM 1792 O1 UFX A 150 11.126 22.625 3.334 1.00 0.00 O +HETATM 1793 H1 UFX A 150 10.072 23.494 0.886 1.00 0.00 H +HETATM 1794 H2 UFX A 150 9.350 22.385 -0.342 1.00 0.00 H +HETATM 1795 H3 UFX A 150 8.401 22.917 1.017 1.00 0.00 H +HETATM 1796 H4 UFX A 150 8.941 20.755 1.565 1.00 0.00 H +HETATM 1797 H5 UFX A 150 10.677 21.017 1.453 1.00 0.00 H +HETATM 1798 H6 UFX A 150 9.946 21.030 3.714 1.00 0.00 H +HETATM 1799 H7 UFX A 150 9.009 22.528 3.333 1.00 0.00 H +HETATM 1800 H8 UFX A 150 11.914 22.042 3.287 1.00 0.00 H +HETATM 1801 C1 UFX A 151 11.779 11.749 10.504 1.00 0.00 C +HETATM 1802 C2 UFX A 151 10.478 11.445 11.060 1.00 0.00 C +HETATM 1803 C3 UFX A 151 9.821 12.612 11.947 1.00 0.00 C +HETATM 1804 O1 UFX A 151 10.672 13.127 13.017 1.00 0.00 O +HETATM 1805 H1 UFX A 151 11.972 10.935 9.805 1.00 0.00 H +HETATM 1806 H2 UFX A 151 11.744 12.720 10.009 1.00 0.00 H +HETATM 1807 H3 UFX A 151 12.547 11.909 11.261 1.00 0.00 H +HETATM 1808 H4 UFX A 151 9.879 11.212 10.179 1.00 0.00 H +HETATM 1809 H5 UFX A 151 10.719 10.552 11.636 1.00 0.00 H +HETATM 1810 H6 UFX A 151 8.910 12.201 12.381 1.00 0.00 H +HETATM 1811 H7 UFX A 151 9.542 13.409 11.258 1.00 0.00 H +HETATM 1812 H8 UFX A 151 10.159 13.584 13.717 1.00 0.00 H +HETATM 1813 C1 UFX A 152 3.233 12.230 12.967 1.00 0.00 C +HETATM 1814 C2 UFX A 152 1.996 11.415 13.273 1.00 0.00 C +HETATM 1815 C3 UFX A 152 1.070 12.054 14.285 1.00 0.00 C +HETATM 1816 O1 UFX A 152 0.100 11.015 14.683 1.00 0.00 O +HETATM 1817 H1 UFX A 152 3.717 11.917 12.041 1.00 0.00 H +HETATM 1818 H2 UFX A 152 2.958 13.284 12.933 1.00 0.00 H +HETATM 1819 H3 UFX A 152 3.996 12.072 13.729 1.00 0.00 H +HETATM 1820 H4 UFX A 152 1.462 11.367 12.323 1.00 0.00 H +HETATM 1821 H5 UFX A 152 2.280 10.408 13.577 1.00 0.00 H +HETATM 1822 H6 UFX A 152 0.523 12.894 13.856 1.00 0.00 H +HETATM 1823 H7 UFX A 152 1.552 12.404 15.198 1.00 0.00 H +HETATM 1824 H8 UFX A 152 -0.741 11.447 14.945 1.00 0.00 H +HETATM 1825 C1 UFX A 153 5.164 7.231 6.879 1.00 0.00 C +HETATM 1826 C2 UFX A 153 5.774 8.468 6.274 1.00 0.00 C +HETATM 1827 C3 UFX A 153 7.347 8.271 5.889 1.00 0.00 C +HETATM 1828 O1 UFX A 153 7.768 9.520 5.413 1.00 0.00 O +HETATM 1829 H1 UFX A 153 5.698 6.987 7.798 1.00 0.00 H +HETATM 1830 H2 UFX A 153 4.082 7.322 6.979 1.00 0.00 H +HETATM 1831 H3 UFX A 153 5.287 6.487 6.092 1.00 0.00 H +HETATM 1832 H4 UFX A 153 5.162 8.770 5.423 1.00 0.00 H +HETATM 1833 H5 UFX A 153 5.675 9.246 7.031 1.00 0.00 H +HETATM 1834 H6 UFX A 153 7.418 7.517 5.105 1.00 0.00 H +HETATM 1835 H7 UFX A 153 7.931 7.964 6.757 1.00 0.00 H +HETATM 1836 H8 UFX A 153 8.423 9.411 4.691 1.00 0.00 H +HETATM 1837 C1 UFX A 154 -0.943 23.430 1.425 1.00 0.00 C +HETATM 1838 C2 UFX A 154 -0.473 22.101 2.033 1.00 0.00 C +HETATM 1839 C3 UFX A 154 0.589 22.314 3.177 1.00 0.00 C +HETATM 1840 O1 UFX A 154 1.825 22.755 2.541 1.00 0.00 O +HETATM 1841 H1 UFX A 154 -1.387 24.170 2.090 1.00 0.00 H +HETATM 1842 H2 UFX A 154 -0.108 23.863 0.875 1.00 0.00 H +HETATM 1843 H3 UFX A 154 -1.702 23.201 0.676 1.00 0.00 H +HETATM 1844 H4 UFX A 154 -1.369 21.596 2.393 1.00 0.00 H +HETATM 1845 H5 UFX A 154 0.017 21.455 1.304 1.00 0.00 H +HETATM 1846 H6 UFX A 154 0.832 21.434 3.774 1.00 0.00 H +HETATM 1847 H7 UFX A 154 0.242 23.152 3.782 1.00 0.00 H +HETATM 1848 H8 UFX A 154 2.564 22.781 3.187 1.00 0.00 H +HETATM 1849 C1 UFX A 155 6.536 20.728 36.802 1.00 0.00 C +HETATM 1850 C2 UFX A 155 5.845 22.008 36.345 1.00 0.00 C +HETATM 1851 C3 UFX A 155 4.328 21.932 36.352 1.00 0.00 C +HETATM 1852 O1 UFX A 155 3.869 23.201 35.867 1.00 0.00 O +HETATM 1853 H1 UFX A 155 6.472 20.595 37.883 1.00 0.00 H +HETATM 1854 H2 UFX A 155 6.174 19.879 36.223 1.00 0.00 H +HETATM 1855 H3 UFX A 155 7.601 20.940 36.713 1.00 0.00 H +HETATM 1856 H4 UFX A 155 6.273 22.777 36.988 1.00 0.00 H +HETATM 1857 H5 UFX A 155 6.200 22.162 35.326 1.00 0.00 H +HETATM 1858 H6 UFX A 155 3.974 21.817 37.377 1.00 0.00 H +HETATM 1859 H7 UFX A 155 4.135 21.074 35.708 1.00 0.00 H +HETATM 1860 H8 UFX A 155 4.068 23.915 36.509 1.00 0.00 H +HETATM 1861 C1 UFX A 156 14.565 13.513 32.076 1.00 0.00 C +HETATM 1862 C2 UFX A 156 13.647 13.522 30.847 1.00 0.00 C +HETATM 1863 C3 UFX A 156 13.964 14.604 29.932 1.00 0.00 C +HETATM 1864 O1 UFX A 156 13.512 15.906 30.475 1.00 0.00 O +HETATM 1865 H1 UFX A 156 14.663 14.486 32.559 1.00 0.00 H +HETATM 1866 H2 UFX A 156 14.232 12.892 32.908 1.00 0.00 H +HETATM 1867 H3 UFX A 156 15.563 13.179 31.792 1.00 0.00 H +HETATM 1868 H4 UFX A 156 13.895 12.638 30.260 1.00 0.00 H +HETATM 1869 H5 UFX A 156 12.610 13.501 31.184 1.00 0.00 H +HETATM 1870 H6 UFX A 156 13.574 14.497 28.919 1.00 0.00 H +HETATM 1871 H7 UFX A 156 15.038 14.761 29.836 1.00 0.00 H +HETATM 1872 H8 UFX A 156 12.666 15.722 30.937 1.00 0.00 H +HETATM 1873 C1 UFX A 157 12.709 25.825 47.572 1.00 0.00 C +HETATM 1874 C2 UFX A 157 12.390 27.313 47.648 1.00 0.00 C +HETATM 1875 C3 UFX A 157 12.718 28.096 46.318 1.00 0.00 C +HETATM 1876 O1 UFX A 157 14.137 28.037 46.012 1.00 0.00 O +HETATM 1877 H1 UFX A 157 12.461 25.326 48.510 1.00 0.00 H +HETATM 1878 H2 UFX A 157 12.167 25.375 46.741 1.00 0.00 H +HETATM 1879 H3 UFX A 157 13.758 25.609 47.367 1.00 0.00 H +HETATM 1880 H4 UFX A 157 11.307 27.380 47.762 1.00 0.00 H +HETATM 1881 H5 UFX A 157 12.904 27.842 48.450 1.00 0.00 H +HETATM 1882 H6 UFX A 157 12.428 29.137 46.467 1.00 0.00 H +HETATM 1883 H7 UFX A 157 12.207 27.591 45.498 1.00 0.00 H +HETATM 1884 H8 UFX A 157 14.695 28.399 46.733 1.00 0.00 H +HETATM 1885 C1 UFX A 158 10.713 38.602 11.094 1.00 0.00 C +HETATM 1886 C2 UFX A 158 10.048 37.545 10.248 1.00 0.00 C +HETATM 1887 C3 UFX A 158 10.753 37.400 8.884 1.00 0.00 C +HETATM 1888 O1 UFX A 158 9.928 36.691 7.973 1.00 0.00 O +HETATM 1889 H1 UFX A 158 11.762 38.341 11.234 1.00 0.00 H +HETATM 1890 H2 UFX A 158 10.648 39.562 10.583 1.00 0.00 H +HETATM 1891 H3 UFX A 158 10.188 38.713 12.043 1.00 0.00 H +HETATM 1892 H4 UFX A 158 9.989 36.599 10.786 1.00 0.00 H +HETATM 1893 H5 UFX A 158 8.993 37.782 10.107 1.00 0.00 H +HETATM 1894 H6 UFX A 158 11.723 36.911 8.970 1.00 0.00 H +HETATM 1895 H7 UFX A 158 10.943 38.449 8.657 1.00 0.00 H +HETATM 1896 H8 UFX A 158 10.351 36.666 7.088 1.00 0.00 H +HETATM 1897 C1 UFX A 159 22.465 4.707 36.779 1.00 0.00 C +HETATM 1898 C2 UFX A 159 21.298 5.332 36.066 1.00 0.00 C +HETATM 1899 C3 UFX A 159 20.035 5.635 36.849 1.00 0.00 C +HETATM 1900 O1 UFX A 159 20.399 6.420 37.985 1.00 0.00 O +HETATM 1901 H1 UFX A 159 22.266 3.662 37.017 1.00 0.00 H +HETATM 1902 H2 UFX A 159 23.397 4.927 36.259 1.00 0.00 H +HETATM 1903 H3 UFX A 159 22.520 5.272 37.710 1.00 0.00 H +HETATM 1904 H4 UFX A 159 21.732 6.216 35.600 1.00 0.00 H +HETATM 1905 H5 UFX A 159 21.012 4.671 35.246 1.00 0.00 H +HETATM 1906 H6 UFX A 159 19.617 4.701 37.226 1.00 0.00 H +HETATM 1907 H7 UFX A 159 19.231 6.027 36.225 1.00 0.00 H +HETATM 1908 H8 UFX A 159 21.107 6.019 38.533 1.00 0.00 H +HETATM 1909 C1 UFX A 160 3.520 10.522 -2.214 1.00 0.00 C +HETATM 1910 C2 UFX A 160 4.865 9.981 -2.880 1.00 0.00 C +HETATM 1911 C3 UFX A 160 4.945 10.460 -4.342 1.00 0.00 C +HETATM 1912 O1 UFX A 160 3.808 9.931 -5.091 1.00 0.00 O +HETATM 1913 H1 UFX A 160 3.365 11.562 -2.500 1.00 0.00 H +HETATM 1914 H2 UFX A 160 2.717 9.845 -2.506 1.00 0.00 H +HETATM 1915 H3 UFX A 160 3.641 10.542 -1.131 1.00 0.00 H +HETATM 1916 H4 UFX A 160 5.702 10.389 -2.313 1.00 0.00 H +HETATM 1917 H5 UFX A 160 4.777 8.895 -2.892 1.00 0.00 H +HETATM 1918 H6 UFX A 160 5.908 10.231 -4.798 1.00 0.00 H +HETATM 1919 H7 UFX A 160 4.804 11.540 -4.286 1.00 0.00 H +HETATM 1920 H8 UFX A 160 3.787 8.950 -5.101 1.00 0.00 H +HETATM 1921 C1 UFX A 161 27.959 36.018 21.648 1.00 0.00 C +HETATM 1922 C2 UFX A 161 28.262 34.799 20.690 1.00 0.00 C +HETATM 1923 C3 UFX A 161 27.665 33.438 21.097 1.00 0.00 C +HETATM 1924 O1 UFX A 161 27.968 33.234 22.520 1.00 0.00 O +HETATM 1925 H1 UFX A 161 28.515 36.015 22.586 1.00 0.00 H +HETATM 1926 H2 UFX A 161 28.260 36.950 21.170 1.00 0.00 H +HETATM 1927 H3 UFX A 161 26.889 35.996 21.853 1.00 0.00 H +HETATM 1928 H4 UFX A 161 27.853 35.152 19.743 1.00 0.00 H +HETATM 1929 H5 UFX A 161 29.337 34.633 20.618 1.00 0.00 H +HETATM 1930 H6 UFX A 161 28.100 32.670 20.457 1.00 0.00 H +HETATM 1931 H7 UFX A 161 26.576 33.420 21.047 1.00 0.00 H +HETATM 1932 H8 UFX A 161 28.930 33.102 22.659 1.00 0.00 H +HETATM 1933 C1 UFX A 162 13.518 62.492 21.517 1.00 0.00 C +HETATM 1934 C2 UFX A 162 13.201 61.356 20.534 1.00 0.00 C +HETATM 1935 C3 UFX A 162 13.556 61.780 19.050 1.00 0.00 C +HETATM 1936 O1 UFX A 162 14.929 62.058 18.855 1.00 0.00 O +HETATM 1937 H1 UFX A 162 14.587 62.667 21.402 1.00 0.00 H +HETATM 1938 H2 UFX A 162 12.942 63.386 21.276 1.00 0.00 H +HETATM 1939 H3 UFX A 162 13.267 62.348 22.568 1.00 0.00 H +HETATM 1940 H4 UFX A 162 13.823 60.494 20.775 1.00 0.00 H +HETATM 1941 H5 UFX A 162 12.153 61.064 20.613 1.00 0.00 H +HETATM 1942 H6 UFX A 162 12.994 62.632 18.669 1.00 0.00 H +HETATM 1943 H7 UFX A 162 13.267 60.998 18.348 1.00 0.00 H +HETATM 1944 H8 UFX A 162 15.144 62.812 19.445 1.00 0.00 H +HETATM 1945 C1 UFX A 163 12.873 -5.138 26.165 1.00 0.00 C +HETATM 1946 C2 UFX A 163 13.032 -3.693 26.053 1.00 0.00 C +HETATM 1947 C3 UFX A 163 11.990 -2.811 26.841 1.00 0.00 C +HETATM 1948 O1 UFX A 163 12.540 -1.530 27.241 1.00 0.00 O +HETATM 1949 H1 UFX A 163 12.050 -5.442 25.518 1.00 0.00 H +HETATM 1950 H2 UFX A 163 13.754 -5.687 25.831 1.00 0.00 H +HETATM 1951 H3 UFX A 163 12.716 -5.453 27.196 1.00 0.00 H +HETATM 1952 H4 UFX A 163 14.021 -3.340 26.347 1.00 0.00 H +HETATM 1953 H5 UFX A 163 13.057 -3.462 24.988 1.00 0.00 H +HETATM 1954 H6 UFX A 163 11.679 -3.255 27.787 1.00 0.00 H +HETATM 1955 H7 UFX A 163 11.154 -2.571 26.183 1.00 0.00 H +HETATM 1956 H8 UFX A 163 12.855 -0.992 26.483 1.00 0.00 H +HETATM 1957 C1 UFX A 164 26.058 38.046 33.253 1.00 0.00 C +HETATM 1958 C2 UFX A 164 27.273 37.540 33.994 1.00 0.00 C +HETATM 1959 C3 UFX A 164 28.351 38.536 34.241 1.00 0.00 C +HETATM 1960 O1 UFX A 164 28.747 39.012 32.963 1.00 0.00 O +HETATM 1961 H1 UFX A 164 26.384 38.054 32.213 1.00 0.00 H +HETATM 1962 H2 UFX A 164 25.288 37.287 33.391 1.00 0.00 H +HETATM 1963 H3 UFX A 164 25.655 38.961 33.688 1.00 0.00 H +HETATM 1964 H4 UFX A 164 26.827 37.104 34.887 1.00 0.00 H +HETATM 1965 H5 UFX A 164 27.575 36.737 33.321 1.00 0.00 H +HETATM 1966 H6 UFX A 164 29.161 38.060 34.794 1.00 0.00 H +HETATM 1967 H7 UFX A 164 27.978 39.387 34.811 1.00 0.00 H +HETATM 1968 H8 UFX A 164 29.156 39.901 33.022 1.00 0.00 H +HETATM 1969 C1 UFX A 165 5.219 29.181 -1.529 1.00 0.00 C +HETATM 1970 C2 UFX A 165 4.869 30.221 -0.451 1.00 0.00 C +HETATM 1971 C3 UFX A 165 5.905 30.243 0.677 1.00 0.00 C +HETATM 1972 O1 UFX A 165 7.146 30.430 0.061 1.00 0.00 O +HETATM 1973 H1 UFX A 165 4.285 28.946 -2.039 1.00 0.00 H +HETATM 1974 H2 UFX A 165 5.876 29.619 -2.280 1.00 0.00 H +HETATM 1975 H3 UFX A 165 5.663 28.258 -1.154 1.00 0.00 H +HETATM 1976 H4 UFX A 165 4.846 31.227 -0.871 1.00 0.00 H +HETATM 1977 H5 UFX A 165 3.906 29.998 0.007 1.00 0.00 H +HETATM 1978 H6 UFX A 165 5.975 29.290 1.202 1.00 0.00 H +HETATM 1979 H7 UFX A 165 5.677 31.092 1.322 1.00 0.00 H +HETATM 1980 H8 UFX A 165 7.458 29.626 -0.407 1.00 0.00 H +HETATM 1981 C1 UFX A 166 39.078 -6.581 37.348 1.00 0.00 C +HETATM 1982 C2 UFX A 166 38.948 -5.153 37.884 1.00 0.00 C +HETATM 1983 C3 UFX A 166 38.056 -5.073 39.077 1.00 0.00 C +HETATM 1984 O1 UFX A 166 36.695 -5.154 38.653 1.00 0.00 O +HETATM 1985 H1 UFX A 166 39.872 -6.600 36.601 1.00 0.00 H +HETATM 1986 H2 UFX A 166 39.343 -7.382 38.038 1.00 0.00 H +HETATM 1987 H3 UFX A 166 38.149 -6.787 36.815 1.00 0.00 H +HETATM 1988 H4 UFX A 166 39.961 -4.904 38.201 1.00 0.00 H +HETATM 1989 H5 UFX A 166 38.671 -4.428 37.118 1.00 0.00 H +HETATM 1990 H6 UFX A 166 38.228 -4.096 39.527 1.00 0.00 H +HETATM 1991 H7 UFX A 166 38.368 -5.905 39.708 1.00 0.00 H +HETATM 1992 H8 UFX A 166 36.090 -4.788 39.333 1.00 0.00 H +HETATM 1993 C1 UFX A 167 17.982 -13.621 12.899 1.00 0.00 C +HETATM 1994 C2 UFX A 167 17.521 -12.564 13.894 1.00 0.00 C +HETATM 1995 C3 UFX A 167 16.707 -11.424 13.319 1.00 0.00 C +HETATM 1996 O1 UFX A 167 16.306 -10.543 14.411 1.00 0.00 O +HETATM 1997 H1 UFX A 167 18.483 -14.525 13.245 1.00 0.00 H +HETATM 1998 H2 UFX A 167 17.210 -13.865 12.169 1.00 0.00 H +HETATM 1999 H3 UFX A 167 18.761 -13.126 12.320 1.00 0.00 H +HETATM 2000 H4 UFX A 167 16.894 -13.083 14.619 1.00 0.00 H +HETATM 2001 H5 UFX A 167 18.363 -12.124 14.430 1.00 0.00 H +HETATM 2002 H6 UFX A 167 15.767 -11.753 12.876 1.00 0.00 H +HETATM 2003 H7 UFX A 167 17.232 -10.869 12.541 1.00 0.00 H +HETATM 2004 H8 UFX A 167 17.034 -10.084 14.882 1.00 0.00 H +HETATM 2005 C1 UFX A 168 7.821 0.269 16.248 1.00 0.00 C +HETATM 2006 C2 UFX A 168 6.358 -0.121 15.925 1.00 0.00 C +HETATM 2007 C3 UFX A 168 5.566 0.198 17.222 1.00 0.00 C +HETATM 2008 O1 UFX A 168 4.260 -0.386 17.243 1.00 0.00 O +HETATM 2009 H1 UFX A 168 7.961 1.343 16.373 1.00 0.00 H +HETATM 2010 H2 UFX A 168 8.109 -0.328 17.114 1.00 0.00 H +HETATM 2011 H3 UFX A 168 8.462 -0.040 15.423 1.00 0.00 H +HETATM 2012 H4 UFX A 168 5.869 0.364 15.080 1.00 0.00 H +HETATM 2013 H5 UFX A 168 6.262 -1.181 15.688 1.00 0.00 H +HETATM 2014 H6 UFX A 168 5.507 1.284 17.299 1.00 0.00 H +HETATM 2015 H7 UFX A 168 6.164 -0.164 18.058 1.00 0.00 H +HETATM 2016 H8 UFX A 168 4.272 -1.361 17.142 1.00 0.00 H +HETATM 2017 C1 UFX A 169 22.799 35.169 32.922 1.00 0.00 C +HETATM 2018 C2 UFX A 169 21.934 34.011 33.451 1.00 0.00 C +HETATM 2019 C3 UFX A 169 20.421 34.174 33.098 1.00 0.00 C +HETATM 2020 O1 UFX A 169 20.232 33.856 31.641 1.00 0.00 O +HETATM 2021 H1 UFX A 169 23.848 35.018 33.177 1.00 0.00 H +HETATM 2022 H2 UFX A 169 22.711 35.347 31.850 1.00 0.00 H +HETATM 2023 H3 UFX A 169 22.507 36.139 33.322 1.00 0.00 H +HETATM 2024 H4 UFX A 169 22.248 33.143 32.873 1.00 0.00 H +HETATM 2025 H5 UFX A 169 22.150 33.896 34.514 1.00 0.00 H +HETATM 2026 H6 UFX A 169 19.999 35.141 33.370 1.00 0.00 H +HETATM 2027 H7 UFX A 169 19.884 33.354 33.576 1.00 0.00 H +HETATM 2028 H8 UFX A 169 19.327 33.588 31.375 1.00 0.00 H +HETATM 2029 C1 UFX A 170 -10.715 19.907 18.234 1.00 0.00 C +HETATM 2030 C2 UFX A 170 -11.993 20.657 17.793 1.00 0.00 C +HETATM 2031 C3 UFX A 170 -12.564 21.458 18.947 1.00 0.00 C +HETATM 2032 O1 UFX A 170 -11.680 22.502 19.432 1.00 0.00 O +HETATM 2033 H1 UFX A 170 -10.887 19.339 19.149 1.00 0.00 H +HETATM 2034 H2 UFX A 170 -10.421 19.261 17.407 1.00 0.00 H +HETATM 2035 H3 UFX A 170 -9.924 20.636 18.412 1.00 0.00 H +HETATM 2036 H4 UFX A 170 -11.792 21.340 16.968 1.00 0.00 H +HETATM 2037 H5 UFX A 170 -12.733 19.922 17.472 1.00 0.00 H +HETATM 2038 H6 UFX A 170 -12.784 20.668 19.665 1.00 0.00 H +HETATM 2039 H7 UFX A 170 -13.501 21.935 18.656 1.00 0.00 H +HETATM 2040 H8 UFX A 170 -11.322 23.022 18.681 1.00 0.00 H +HETATM 2041 C1 UFX A 171 -21.921 24.146 -5.270 1.00 0.00 C +HETATM 2042 C2 UFX A 171 -22.954 24.106 -4.127 1.00 0.00 C +HETATM 2043 C3 UFX A 171 -22.695 25.033 -2.938 1.00 0.00 C +HETATM 2044 O1 UFX A 171 -22.860 26.451 -3.293 1.00 0.00 O +HETATM 2045 H1 UFX A 171 -22.092 25.047 -5.860 1.00 0.00 H +HETATM 2046 H2 UFX A 171 -20.897 24.080 -4.901 1.00 0.00 H +HETATM 2047 H3 UFX A 171 -21.981 23.256 -5.896 1.00 0.00 H +HETATM 2048 H4 UFX A 171 -23.935 24.228 -4.588 1.00 0.00 H +HETATM 2049 H5 UFX A 171 -22.940 23.106 -3.693 1.00 0.00 H +HETATM 2050 H6 UFX A 171 -21.664 24.792 -2.678 1.00 0.00 H +HETATM 2051 H7 UFX A 171 -23.273 24.740 -2.061 1.00 0.00 H +HETATM 2052 H8 UFX A 171 -22.830 27.038 -2.507 1.00 0.00 H +HETATM 2053 C1 UFX A 172 28.522 41.123 14.337 1.00 0.00 C +HETATM 2054 C2 UFX A 172 27.826 42.426 14.666 1.00 0.00 C +HETATM 2055 C3 UFX A 172 28.705 43.712 14.507 1.00 0.00 C +HETATM 2056 O1 UFX A 172 29.714 43.907 15.533 1.00 0.00 O +HETATM 2057 H1 UFX A 172 29.059 41.086 13.389 1.00 0.00 H +HETATM 2058 H2 UFX A 172 29.307 40.886 15.056 1.00 0.00 H +HETATM 2059 H3 UFX A 172 27.828 40.290 14.448 1.00 0.00 H +HETATM 2060 H4 UFX A 172 27.006 42.474 13.949 1.00 0.00 H +HETATM 2061 H5 UFX A 172 27.296 42.344 15.615 1.00 0.00 H +HETATM 2062 H6 UFX A 172 28.032 44.569 14.509 1.00 0.00 H +HETATM 2063 H7 UFX A 172 29.220 43.579 13.555 1.00 0.00 H +HETATM 2064 H8 UFX A 172 29.351 43.847 16.443 1.00 0.00 H +HETATM 2065 C1 UFX A 173 5.358 4.865 18.327 1.00 0.00 C +HETATM 2066 C2 UFX A 173 6.692 5.407 19.051 1.00 0.00 C +HETATM 2067 C3 UFX A 173 6.473 6.347 20.325 1.00 0.00 C +HETATM 2068 O1 UFX A 173 6.498 5.555 21.518 1.00 0.00 O +HETATM 2069 H1 UFX A 173 4.723 5.730 18.137 1.00 0.00 H +HETATM 2070 H2 UFX A 173 5.641 4.529 17.330 1.00 0.00 H +HETATM 2071 H3 UFX A 173 4.865 4.069 18.885 1.00 0.00 H +HETATM 2072 H4 UFX A 173 7.425 4.615 19.202 1.00 0.00 H +HETATM 2073 H5 UFX A 173 7.184 5.960 18.251 1.00 0.00 H +HETATM 2074 H6 UFX A 173 5.505 6.825 20.170 1.00 0.00 H +HETATM 2075 H7 UFX A 173 7.337 7.010 20.377 1.00 0.00 H +HETATM 2076 H8 UFX A 173 5.635 5.104 21.637 1.00 0.00 H +HETATM 2077 C1 UFX A 174 23.890 25.909 13.863 1.00 0.00 C +HETATM 2078 C2 UFX A 174 24.179 27.423 13.717 1.00 0.00 C +HETATM 2079 C3 UFX A 174 24.132 28.205 15.026 1.00 0.00 C +HETATM 2080 O1 UFX A 174 22.788 28.037 15.517 1.00 0.00 O +HETATM 2081 H1 UFX A 174 23.958 25.333 12.940 1.00 0.00 H +HETATM 2082 H2 UFX A 174 24.584 25.426 14.551 1.00 0.00 H +HETATM 2083 H3 UFX A 174 22.865 25.682 14.157 1.00 0.00 H +HETATM 2084 H4 UFX A 174 25.131 27.614 13.222 1.00 0.00 H +HETATM 2085 H5 UFX A 174 23.393 27.761 13.042 1.00 0.00 H +HETATM 2086 H6 UFX A 174 24.382 29.234 14.768 1.00 0.00 H +HETATM 2087 H7 UFX A 174 24.730 27.711 15.791 1.00 0.00 H +HETATM 2088 H8 UFX A 174 22.191 28.525 14.911 1.00 0.00 H +HETATM 2089 C1 UFX A 175 -7.803 48.206 26.793 1.00 0.00 C +HETATM 2090 C2 UFX A 175 -6.654 48.373 27.794 1.00 0.00 C +HETATM 2091 C3 UFX A 175 -6.951 47.744 29.208 1.00 0.00 C +HETATM 2092 O1 UFX A 175 -7.312 46.382 29.218 1.00 0.00 O +HETATM 2093 H1 UFX A 175 -8.762 48.341 27.292 1.00 0.00 H +HETATM 2094 H2 UFX A 175 -7.698 48.910 25.967 1.00 0.00 H +HETATM 2095 H3 UFX A 175 -7.812 47.226 26.314 1.00 0.00 H +HETATM 2096 H4 UFX A 175 -5.732 48.018 27.333 1.00 0.00 H +HETATM 2097 H5 UFX A 175 -6.490 49.434 27.979 1.00 0.00 H +HETATM 2098 H6 UFX A 175 -7.671 48.352 29.755 1.00 0.00 H +HETATM 2099 H7 UFX A 175 -6.121 47.843 29.909 1.00 0.00 H +HETATM 2100 H8 UFX A 175 -7.781 46.202 30.061 1.00 0.00 H +HETATM 2101 C1 UFX A 176 -2.050 38.208 11.959 1.00 0.00 C +HETATM 2102 C2 UFX A 176 -0.498 37.960 11.775 1.00 0.00 C +HETATM 2103 C3 UFX A 176 0.185 39.196 11.127 1.00 0.00 C +HETATM 2104 O1 UFX A 176 -0.136 40.347 11.893 1.00 0.00 O +HETATM 2105 H1 UFX A 176 -2.571 37.322 12.322 1.00 0.00 H +HETATM 2106 H2 UFX A 176 -2.121 39.008 12.697 1.00 0.00 H +HETATM 2107 H3 UFX A 176 -2.529 38.553 11.042 1.00 0.00 H +HETATM 2108 H4 UFX A 176 0.019 37.699 12.698 1.00 0.00 H +HETATM 2109 H5 UFX A 176 -0.410 37.077 11.142 1.00 0.00 H +HETATM 2110 H6 UFX A 176 -0.310 39.413 10.180 1.00 0.00 H +HETATM 2111 H7 UFX A 176 1.257 39.002 11.073 1.00 0.00 H +HETATM 2112 H8 UFX A 176 -0.054 40.151 12.851 1.00 0.00 H +HETATM 2113 C1 UFX A 177 4.609 2.595 30.763 1.00 0.00 C +HETATM 2114 C2 UFX A 177 5.339 3.975 30.965 1.00 0.00 C +HETATM 2115 C3 UFX A 177 6.831 3.925 31.543 1.00 0.00 C +HETATM 2116 O1 UFX A 177 6.798 3.606 32.952 1.00 0.00 O +HETATM 2117 H1 UFX A 177 4.603 1.999 31.676 1.00 0.00 H +HETATM 2118 H2 UFX A 177 3.572 2.759 30.471 1.00 0.00 H +HETATM 2119 H3 UFX A 177 5.093 2.070 29.939 1.00 0.00 H +HETATM 2120 H4 UFX A 177 5.303 4.551 30.040 1.00 0.00 H +HETATM 2121 H5 UFX A 177 4.851 4.526 31.769 1.00 0.00 H +HETATM 2122 H6 UFX A 177 7.453 4.779 31.277 1.00 0.00 H +HETATM 2123 H7 UFX A 177 7.242 3.013 31.110 1.00 0.00 H +HETATM 2124 H8 UFX A 177 7.258 2.764 33.157 1.00 0.00 H +HETATM 2125 C1 UFX A 178 26.040 45.664 17.311 1.00 0.00 C +HETATM 2126 C2 UFX A 178 27.524 45.895 17.681 1.00 0.00 C +HETATM 2127 C3 UFX A 178 28.055 44.830 18.606 1.00 0.00 C +HETATM 2128 O1 UFX A 178 28.137 43.602 17.881 1.00 0.00 O +HETATM 2129 H1 UFX A 178 25.315 45.662 18.125 1.00 0.00 H +HETATM 2130 H2 UFX A 178 25.716 46.509 16.704 1.00 0.00 H +HETATM 2131 H3 UFX A 178 25.969 44.706 16.795 1.00 0.00 H +HETATM 2132 H4 UFX A 178 28.210 45.993 16.839 1.00 0.00 H +HETATM 2133 H5 UFX A 178 27.432 46.865 18.169 1.00 0.00 H +HETATM 2134 H6 UFX A 178 27.316 44.771 19.405 1.00 0.00 H +HETATM 2135 H7 UFX A 178 28.913 45.082 19.229 1.00 0.00 H +HETATM 2136 H8 UFX A 178 27.903 42.836 18.447 1.00 0.00 H +HETATM 2137 C1 UFX A 179 22.122 27.004 -12.608 1.00 0.00 C +HETATM 2138 C2 UFX A 179 21.473 25.606 -12.686 1.00 0.00 C +HETATM 2139 C3 UFX A 179 21.402 25.136 -14.154 1.00 0.00 C +HETATM 2140 O1 UFX A 179 20.632 23.989 -14.427 1.00 0.00 O +HETATM 2141 H1 UFX A 179 22.503 27.240 -11.614 1.00 0.00 H +HETATM 2142 H2 UFX A 179 23.021 27.170 -13.203 1.00 0.00 H +HETATM 2143 H3 UFX A 179 21.407 27.788 -12.857 1.00 0.00 H +HETATM 2144 H4 UFX A 179 22.125 24.862 -12.229 1.00 0.00 H +HETATM 2145 H5 UFX A 179 20.455 25.688 -12.304 1.00 0.00 H +HETATM 2146 H6 UFX A 179 22.419 24.847 -14.421 1.00 0.00 H +HETATM 2147 H7 UFX A 179 21.085 25.987 -14.756 1.00 0.00 H +HETATM 2148 H8 UFX A 179 20.710 23.761 -15.378 1.00 0.00 H +HETATM 2149 C1 UFX A 180 37.257 2.164 37.571 1.00 0.00 C +HETATM 2150 C2 UFX A 180 37.020 3.646 37.134 1.00 0.00 C +HETATM 2151 C3 UFX A 180 35.724 3.755 36.226 1.00 0.00 C +HETATM 2152 O1 UFX A 180 36.109 3.334 34.864 1.00 0.00 O +HETATM 2153 H1 UFX A 180 36.484 1.779 38.236 1.00 0.00 H +HETATM 2154 H2 UFX A 180 37.378 1.576 36.661 1.00 0.00 H +HETATM 2155 H3 UFX A 180 38.239 2.103 38.040 1.00 0.00 H +HETATM 2156 H4 UFX A 180 36.938 4.260 38.031 1.00 0.00 H +HETATM 2157 H5 UFX A 180 37.913 3.945 36.585 1.00 0.00 H +HETATM 2158 H6 UFX A 180 35.380 4.787 36.307 1.00 0.00 H +HETATM 2159 H7 UFX A 180 34.869 3.196 36.606 1.00 0.00 H +HETATM 2160 H8 UFX A 180 36.966 3.754 34.636 1.00 0.00 H +HETATM 2161 C1 UFX A 181 29.359 26.242 -0.455 1.00 0.00 C +HETATM 2162 C2 UFX A 181 30.490 27.014 -1.167 1.00 0.00 C +HETATM 2163 C3 UFX A 181 30.073 28.260 -1.877 1.00 0.00 C +HETATM 2164 O1 UFX A 181 29.128 29.067 -1.171 1.00 0.00 O +HETATM 2165 H1 UFX A 181 29.752 25.227 -0.399 1.00 0.00 H +HETATM 2166 H2 UFX A 181 29.278 26.572 0.581 1.00 0.00 H +HETATM 2167 H3 UFX A 181 28.439 26.173 -1.036 1.00 0.00 H +HETATM 2168 H4 UFX A 181 31.223 27.205 -0.383 1.00 0.00 H +HETATM 2169 H5 UFX A 181 31.039 26.352 -1.837 1.00 0.00 H +HETATM 2170 H6 UFX A 181 29.625 28.013 -2.840 1.00 0.00 H +HETATM 2171 H7 UFX A 181 31.018 28.769 -2.069 1.00 0.00 H +HETATM 2172 H8 UFX A 181 29.229 28.957 -0.201 1.00 0.00 H +HETATM 2173 C1 UFX A 182 6.035 33.645 21.003 1.00 0.00 C +HETATM 2174 C2 UFX A 182 4.649 33.500 21.625 1.00 0.00 C +HETATM 2175 C3 UFX A 182 4.329 34.742 22.500 1.00 0.00 C +HETATM 2176 O1 UFX A 182 3.949 35.766 21.661 1.00 0.00 O +HETATM 2177 H1 UFX A 182 6.737 33.525 21.828 1.00 0.00 H +HETATM 2178 H2 UFX A 182 6.124 32.785 20.340 1.00 0.00 H +HETATM 2179 H3 UFX A 182 6.193 34.639 20.583 1.00 0.00 H +HETATM 2180 H4 UFX A 182 3.914 33.359 20.832 1.00 0.00 H +HETATM 2181 H5 UFX A 182 4.632 32.584 22.216 1.00 0.00 H +HETATM 2182 H6 UFX A 182 5.165 35.023 23.141 1.00 0.00 H +HETATM 2183 H7 UFX A 182 3.598 34.466 23.260 1.00 0.00 H +HETATM 2184 H8 UFX A 182 3.147 35.508 21.158 1.00 0.00 H +HETATM 2185 C1 UFX A 183 8.586 14.609 30.016 1.00 0.00 C +HETATM 2186 C2 UFX A 183 7.902 15.861 30.205 1.00 0.00 C +HETATM 2187 C3 UFX A 183 8.658 17.059 29.545 1.00 0.00 C +HETATM 2188 O1 UFX A 183 9.741 17.461 30.376 1.00 0.00 O +HETATM 2189 H1 UFX A 183 8.148 13.806 30.608 1.00 0.00 H +HETATM 2190 H2 UFX A 183 8.485 14.271 28.985 1.00 0.00 H +HETATM 2191 H3 UFX A 183 9.656 14.670 30.216 1.00 0.00 H +HETATM 2192 H4 UFX A 183 6.842 15.845 29.947 1.00 0.00 H +HETATM 2193 H5 UFX A 183 7.686 16.104 31.245 1.00 0.00 H +HETATM 2194 H6 UFX A 183 8.004 17.918 29.394 1.00 0.00 H +HETATM 2195 H7 UFX A 183 9.059 16.689 28.601 1.00 0.00 H +HETATM 2196 H8 UFX A 183 10.395 17.844 29.753 1.00 0.00 H +HETATM 2197 C1 UFX A 184 18.789 41.273 6.745 1.00 0.00 C +HETATM 2198 C2 UFX A 184 19.186 42.700 6.695 1.00 0.00 C +HETATM 2199 C3 UFX A 184 19.040 43.353 8.071 1.00 0.00 C +HETATM 2200 O1 UFX A 184 19.356 44.736 7.915 1.00 0.00 O +HETATM 2201 H1 UFX A 184 18.827 40.867 5.734 1.00 0.00 H +HETATM 2202 H2 UFX A 184 19.427 40.597 7.315 1.00 0.00 H +HETATM 2203 H3 UFX A 184 17.769 41.244 7.130 1.00 0.00 H +HETATM 2204 H4 UFX A 184 20.231 42.790 6.399 1.00 0.00 H +HETATM 2205 H5 UFX A 184 18.699 43.322 5.943 1.00 0.00 H +HETATM 2206 H6 UFX A 184 19.807 42.883 8.687 1.00 0.00 H +HETATM 2207 H7 UFX A 184 18.044 43.154 8.467 1.00 0.00 H +HETATM 2208 H8 UFX A 184 19.303 45.102 8.824 1.00 0.00 H +HETATM 2209 C1 UFX A 185 -21.606 30.465 23.645 1.00 0.00 C +HETATM 2210 C2 UFX A 185 -22.895 29.870 23.203 1.00 0.00 C +HETATM 2211 C3 UFX A 185 -24.109 30.566 23.771 1.00 0.00 C +HETATM 2212 O1 UFX A 185 -24.255 30.085 25.148 1.00 0.00 O +HETATM 2213 H1 UFX A 185 -20.780 29.952 23.154 1.00 0.00 H +HETATM 2214 H2 UFX A 185 -21.553 31.495 23.293 1.00 0.00 H +HETATM 2215 H3 UFX A 185 -21.428 30.548 24.717 1.00 0.00 H +HETATM 2216 H4 UFX A 185 -22.849 29.776 22.118 1.00 0.00 H +HETATM 2217 H5 UFX A 185 -22.985 28.833 23.527 1.00 0.00 H +HETATM 2218 H6 UFX A 185 -24.917 30.206 23.135 1.00 0.00 H +HETATM 2219 H7 UFX A 185 -23.832 31.620 23.740 1.00 0.00 H +HETATM 2220 H8 UFX A 185 -24.305 29.106 25.094 1.00 0.00 H +HETATM 2221 C1 UFX A 186 13.294 21.839 25.388 1.00 0.00 C +HETATM 2222 C2 UFX A 186 14.049 21.409 24.106 1.00 0.00 C +HETATM 2223 C3 UFX A 186 14.027 19.904 24.025 1.00 0.00 C +HETATM 2224 O1 UFX A 186 12.711 19.509 23.613 1.00 0.00 O +HETATM 2225 H1 UFX A 186 12.305 21.382 25.357 1.00 0.00 H +HETATM 2226 H2 UFX A 186 13.866 21.439 26.226 1.00 0.00 H +HETATM 2227 H3 UFX A 186 13.337 22.927 25.452 1.00 0.00 H +HETATM 2228 H4 UFX A 186 13.640 21.902 23.224 1.00 0.00 H +HETATM 2229 H5 UFX A 186 15.067 21.775 24.245 1.00 0.00 H +HETATM 2230 H6 UFX A 186 14.268 19.432 24.977 1.00 0.00 H +HETATM 2231 H7 UFX A 186 14.773 19.628 23.280 1.00 0.00 H +HETATM 2232 H8 UFX A 186 12.554 18.548 23.491 1.00 0.00 H +HETATM 2233 C1 UFX A 187 -0.087 19.630 22.680 1.00 0.00 C +HETATM 2234 C2 UFX A 187 -1.334 19.804 23.528 1.00 0.00 C +HETATM 2235 C3 UFX A 187 -0.921 20.709 24.664 1.00 0.00 C +HETATM 2236 O1 UFX A 187 -1.948 20.846 25.739 1.00 0.00 O +HETATM 2237 H1 UFX A 187 0.585 18.963 23.220 1.00 0.00 H +HETATM 2238 H2 UFX A 187 -0.113 19.227 21.667 1.00 0.00 H +HETATM 2239 H3 UFX A 187 0.336 20.624 22.531 1.00 0.00 H +HETATM 2240 H4 UFX A 187 -2.089 20.286 22.906 1.00 0.00 H +HETATM 2241 H5 UFX A 187 -1.640 18.853 23.964 1.00 0.00 H +HETATM 2242 H6 UFX A 187 -0.849 21.629 24.083 1.00 0.00 H +HETATM 2243 H7 UFX A 187 0.055 20.470 25.087 1.00 0.00 H +HETATM 2244 H8 UFX A 187 -1.754 21.645 26.275 1.00 0.00 H +HETATM 2245 C1 UFX A 188 -14.056 12.219 29.912 1.00 0.00 C +HETATM 2246 C2 UFX A 188 -14.474 11.388 28.701 1.00 0.00 C +HETATM 2247 C3 UFX A 188 -13.750 10.074 28.514 1.00 0.00 C +HETATM 2248 O1 UFX A 188 -14.257 9.163 27.417 1.00 0.00 O +HETATM 2249 H1 UFX A 188 -14.370 11.664 30.796 1.00 0.00 H +HETATM 2250 H2 UFX A 188 -12.974 12.324 29.985 1.00 0.00 H +HETATM 2251 H3 UFX A 188 -14.636 13.142 29.905 1.00 0.00 H +HETATM 2252 H4 UFX A 188 -15.554 11.252 28.753 1.00 0.00 H +HETATM 2253 H5 UFX A 188 -14.337 11.925 27.762 1.00 0.00 H +HETATM 2254 H6 UFX A 188 -13.907 9.531 29.447 1.00 0.00 H +HETATM 2255 H7 UFX A 188 -12.684 10.275 28.411 1.00 0.00 H +HETATM 2256 H8 UFX A 188 -14.271 9.587 26.533 1.00 0.00 H +HETATM 2257 C1 UFX A 189 -4.026 19.428 19.067 1.00 0.00 C +HETATM 2258 C2 UFX A 189 -3.657 19.037 17.731 1.00 0.00 C +HETATM 2259 C3 UFX A 189 -4.295 20.045 16.690 1.00 0.00 C +HETATM 2260 O1 UFX A 189 -3.456 21.216 16.668 1.00 0.00 O +HETATM 2261 H1 UFX A 189 -3.316 18.874 19.682 1.00 0.00 H +HETATM 2262 H2 UFX A 189 -3.833 20.489 19.225 1.00 0.00 H +HETATM 2263 H3 UFX A 189 -5.062 19.224 19.338 1.00 0.00 H +HETATM 2264 H4 UFX A 189 -2.578 18.966 17.592 1.00 0.00 H +HETATM 2265 H5 UFX A 189 -4.036 18.028 17.566 1.00 0.00 H +HETATM 2266 H6 UFX A 189 -5.339 20.281 16.898 1.00 0.00 H +HETATM 2267 H7 UFX A 189 -4.311 19.645 15.676 1.00 0.00 H +HETATM 2268 H8 UFX A 189 -3.728 21.881 17.337 1.00 0.00 H +HETATM 2269 C1 UFX A 190 22.903 22.750 34.833 1.00 0.00 C +HETATM 2270 C2 UFX A 190 24.421 23.068 34.399 1.00 0.00 C +HETATM 2271 C3 UFX A 190 25.340 22.947 35.639 1.00 0.00 C +HETATM 2272 O1 UFX A 190 24.981 23.894 36.545 1.00 0.00 O +HETATM 2273 H1 UFX A 190 22.883 21.827 35.412 1.00 0.00 H +HETATM 2274 H2 UFX A 190 22.402 23.547 35.382 1.00 0.00 H +HETATM 2275 H3 UFX A 190 22.355 22.448 33.940 1.00 0.00 H +HETATM 2276 H4 UFX A 190 24.682 22.266 33.709 1.00 0.00 H +HETATM 2277 H5 UFX A 190 24.591 24.006 33.870 1.00 0.00 H +HETATM 2278 H6 UFX A 190 26.397 23.074 35.401 1.00 0.00 H +HETATM 2279 H7 UFX A 190 25.346 21.996 36.171 1.00 0.00 H +HETATM 2280 H8 UFX A 190 24.842 24.772 36.130 1.00 0.00 H +HETATM 2281 C1 UFX A 191 -18.991 27.427 9.186 1.00 0.00 C +HETATM 2282 C2 UFX A 191 -17.534 27.910 9.277 1.00 0.00 C +HETATM 2283 C3 UFX A 191 -17.190 28.482 10.695 1.00 0.00 C +HETATM 2284 O1 UFX A 191 -15.822 28.871 10.622 1.00 0.00 O +HETATM 2285 H1 UFX A 191 -19.264 27.011 8.216 1.00 0.00 H +HETATM 2286 H2 UFX A 191 -19.201 26.598 9.862 1.00 0.00 H +HETATM 2287 H3 UFX A 191 -19.650 28.283 9.335 1.00 0.00 H +HETATM 2288 H4 UFX A 191 -16.948 27.018 9.055 1.00 0.00 H +HETATM 2289 H5 UFX A 191 -17.289 28.656 8.521 1.00 0.00 H +HETATM 2290 H6 UFX A 191 -17.352 27.794 11.525 1.00 0.00 H +HETATM 2291 H7 UFX A 191 -17.791 29.353 10.955 1.00 0.00 H +HETATM 2292 H8 UFX A 191 -15.610 29.524 9.920 1.00 0.00 H +HETATM 2293 C1 UFX A 192 30.483 16.157 17.194 1.00 0.00 C +HETATM 2294 C2 UFX A 192 29.979 16.186 15.802 1.00 0.00 C +HETATM 2295 C3 UFX A 192 31.180 16.560 14.873 1.00 0.00 C +HETATM 2296 O1 UFX A 192 31.785 17.761 15.345 1.00 0.00 O +HETATM 2297 H1 UFX A 192 29.770 15.753 17.914 1.00 0.00 H +HETATM 2298 H2 UFX A 192 31.318 15.456 17.196 1.00 0.00 H +HETATM 2299 H3 UFX A 192 30.754 17.131 17.601 1.00 0.00 H +HETATM 2300 H4 UFX A 192 29.598 15.189 15.579 1.00 0.00 H +HETATM 2301 H5 UFX A 192 29.124 16.857 15.724 1.00 0.00 H +HETATM 2302 H6 UFX A 192 30.781 16.683 13.866 1.00 0.00 H +HETATM 2303 H7 UFX A 192 31.822 15.684 14.973 1.00 0.00 H +HETATM 2304 H8 UFX A 192 31.141 18.501 15.375 1.00 0.00 H +HETATM 2305 C1 UFX A 193 47.838 31.770 27.933 1.00 0.00 C +HETATM 2306 C2 UFX A 193 48.188 32.964 28.877 1.00 0.00 C +HETATM 2307 C3 UFX A 193 48.823 32.397 30.166 1.00 0.00 C +HETATM 2308 O1 UFX A 193 49.307 33.536 30.893 1.00 0.00 O +HETATM 2309 H1 UFX A 193 48.639 31.038 27.826 1.00 0.00 H +HETATM 2310 H2 UFX A 193 46.955 31.207 28.238 1.00 0.00 H +HETATM 2311 H3 UFX A 193 47.729 32.231 26.951 1.00 0.00 H +HETATM 2312 H4 UFX A 193 48.934 33.616 28.423 1.00 0.00 H +HETATM 2313 H5 UFX A 193 47.283 33.537 29.081 1.00 0.00 H +HETATM 2314 H6 UFX A 193 49.607 31.652 30.030 1.00 0.00 H +HETATM 2315 H7 UFX A 193 48.024 31.917 30.731 1.00 0.00 H +HETATM 2316 H8 UFX A 193 48.651 34.246 31.062 1.00 0.00 H +HETATM 2317 C1 UFX A 194 1.720 56.113 11.153 1.00 0.00 C +HETATM 2318 C2 UFX A 194 0.326 56.122 10.451 1.00 0.00 C +HETATM 2319 C3 UFX A 194 0.529 56.659 9.004 1.00 0.00 C +HETATM 2320 O1 UFX A 194 0.905 58.073 9.045 1.00 0.00 O +HETATM 2321 H1 UFX A 194 2.528 55.714 10.538 1.00 0.00 H +HETATM 2322 H2 UFX A 194 2.090 57.114 11.374 1.00 0.00 H +HETATM 2323 H3 UFX A 194 1.623 55.578 12.097 1.00 0.00 H +HETATM 2324 H4 UFX A 194 -0.218 55.186 10.328 1.00 0.00 H +HETATM 2325 H5 UFX A 194 -0.432 56.706 10.972 1.00 0.00 H +HETATM 2326 H6 UFX A 194 -0.397 56.472 8.460 1.00 0.00 H +HETATM 2327 H7 UFX A 194 1.236 56.048 8.443 1.00 0.00 H +HETATM 2328 H8 UFX A 194 0.227 58.600 9.519 1.00 0.00 H +HETATM 2329 C1 UFX A 195 -16.718 17.590 36.814 1.00 0.00 C +HETATM 2330 C2 UFX A 195 -15.554 18.253 37.686 1.00 0.00 C +HETATM 2331 C3 UFX A 195 -15.056 19.595 37.260 1.00 0.00 C +HETATM 2332 O1 UFX A 195 -16.182 20.526 37.305 1.00 0.00 O +HETATM 2333 H1 UFX A 195 -17.595 18.236 36.820 1.00 0.00 H +HETATM 2334 H2 UFX A 195 -16.358 17.500 35.789 1.00 0.00 H +HETATM 2335 H3 UFX A 195 -16.976 16.646 37.295 1.00 0.00 H +HETATM 2336 H4 UFX A 195 -15.928 18.322 38.707 1.00 0.00 H +HETATM 2337 H5 UFX A 195 -14.679 17.605 37.736 1.00 0.00 H +HETATM 2338 H6 UFX A 195 -14.562 19.471 36.296 1.00 0.00 H +HETATM 2339 H7 UFX A 195 -14.233 19.831 37.934 1.00 0.00 H +HETATM 2340 H8 UFX A 195 -16.502 20.616 38.228 1.00 0.00 H +HETATM 2341 C1 UFX A 196 -11.695 19.138 1.147 1.00 0.00 C +HETATM 2342 C2 UFX A 196 -10.332 19.622 0.718 1.00 0.00 C +HETATM 2343 C3 UFX A 196 -9.817 18.861 -0.481 1.00 0.00 C +HETATM 2344 O1 UFX A 196 -9.113 17.796 0.167 1.00 0.00 O +HETATM 2345 H1 UFX A 196 -11.715 18.087 1.435 1.00 0.00 H +HETATM 2346 H2 UFX A 196 -11.978 19.749 2.004 1.00 0.00 H +HETATM 2347 H3 UFX A 196 -12.441 19.219 0.357 1.00 0.00 H +HETATM 2348 H4 UFX A 196 -10.301 20.701 0.563 1.00 0.00 H +HETATM 2349 H5 UFX A 196 -9.685 19.422 1.572 1.00 0.00 H +HETATM 2350 H6 UFX A 196 -9.104 19.491 -1.013 1.00 0.00 H +HETATM 2351 H7 UFX A 196 -10.654 18.632 -1.142 1.00 0.00 H +HETATM 2352 H8 UFX A 196 -8.367 18.115 0.718 1.00 0.00 H +HETATM 2353 C1 UFX A 197 -6.526 -14.299 16.093 1.00 0.00 C +HETATM 2354 C2 UFX A 197 -8.016 -14.185 16.291 1.00 0.00 C +HETATM 2355 C3 UFX A 197 -8.712 -15.401 16.864 1.00 0.00 C +HETATM 2356 O1 UFX A 197 -8.125 -15.762 18.070 1.00 0.00 O +HETATM 2357 H1 UFX A 197 -6.224 -13.359 15.630 1.00 0.00 H +HETATM 2358 H2 UFX A 197 -6.043 -14.536 17.042 1.00 0.00 H +HETATM 2359 H3 UFX A 197 -6.336 -15.068 15.344 1.00 0.00 H +HETATM 2360 H4 UFX A 197 -8.301 -13.327 16.900 1.00 0.00 H +HETATM 2361 H5 UFX A 197 -8.469 -13.970 15.324 1.00 0.00 H +HETATM 2362 H6 UFX A 197 -8.658 -16.216 16.142 1.00 0.00 H +HETATM 2363 H7 UFX A 197 -9.771 -15.170 16.983 1.00 0.00 H +HETATM 2364 H8 UFX A 197 -8.549 -16.589 18.385 1.00 0.00 H +HETATM 2365 C1 UFX A 198 30.749 56.773 14.414 1.00 0.00 C +HETATM 2366 C2 UFX A 198 30.447 57.279 15.831 1.00 0.00 C +HETATM 2367 C3 UFX A 198 29.064 56.806 16.395 1.00 0.00 C +HETATM 2368 O1 UFX A 198 29.055 56.844 17.871 1.00 0.00 O +HETATM 2369 H1 UFX A 198 31.802 56.968 14.209 1.00 0.00 H +HETATM 2370 H2 UFX A 198 30.539 55.721 14.220 1.00 0.00 H +HETATM 2371 H3 UFX A 198 30.117 57.336 13.727 1.00 0.00 H +HETATM 2372 H4 UFX A 198 31.289 57.045 16.482 1.00 0.00 H +HETATM 2373 H5 UFX A 198 30.560 58.363 15.817 1.00 0.00 H +HETATM 2374 H6 UFX A 198 28.859 55.811 15.998 1.00 0.00 H +HETATM 2375 H7 UFX A 198 28.418 57.565 15.952 1.00 0.00 H +HETATM 2376 H8 UFX A 198 28.306 56.306 18.204 1.00 0.00 H +HETATM 2377 C1 UFX A 199 22.991 16.411 -8.743 1.00 0.00 C +HETATM 2378 C2 UFX A 199 24.231 15.888 -9.398 1.00 0.00 C +HETATM 2379 C3 UFX A 199 25.032 16.925 -10.120 1.00 0.00 C +HETATM 2380 O1 UFX A 199 24.366 17.438 -11.251 1.00 0.00 O +HETATM 2381 H1 UFX A 199 22.232 16.755 -9.445 1.00 0.00 H +HETATM 2382 H2 UFX A 199 22.506 15.660 -8.119 1.00 0.00 H +HETATM 2383 H3 UFX A 199 23.194 17.282 -8.119 1.00 0.00 H +HETATM 2384 H4 UFX A 199 24.891 15.393 -8.685 1.00 0.00 H +HETATM 2385 H5 UFX A 199 23.974 15.089 -10.094 1.00 0.00 H +HETATM 2386 H6 UFX A 199 25.990 16.556 -10.486 1.00 0.00 H +HETATM 2387 H7 UFX A 199 25.105 17.745 -9.406 1.00 0.00 H +HETATM 2388 H8 UFX A 199 24.029 16.727 -11.837 1.00 0.00 H +HETATM 2389 C1 UFX A 200 -0.044 21.258 28.696 1.00 0.00 C +HETATM 2390 C2 UFX A 200 -0.334 22.796 28.855 1.00 0.00 C +HETATM 2391 C3 UFX A 200 0.156 23.585 27.646 1.00 0.00 C +HETATM 2392 O1 UFX A 200 -0.632 23.536 26.498 1.00 0.00 O +HETATM 2393 H1 UFX A 200 -0.328 20.882 27.713 1.00 0.00 H +HETATM 2394 H2 UFX A 200 1.036 21.247 28.842 1.00 0.00 H +HETATM 2395 H3 UFX A 200 -0.563 20.726 29.493 1.00 0.00 H +HETATM 2396 H4 UFX A 200 -1.418 22.873 28.947 1.00 0.00 H +HETATM 2397 H5 UFX A 200 0.161 23.158 29.756 1.00 0.00 H +HETATM 2398 H6 UFX A 200 1.159 23.278 27.348 1.00 0.00 H +HETATM 2399 H7 UFX A 200 0.202 24.642 27.911 1.00 0.00 H +HETATM 2400 H8 UFX A 200 -0.486 24.287 25.883 1.00 0.00 H +HETATM 2401 C1 UFX A 201 10.449 35.001 30.351 1.00 0.00 C +HETATM 2402 C2 UFX A 201 10.838 35.751 29.048 1.00 0.00 C +HETATM 2403 C3 UFX A 201 12.254 35.469 28.763 1.00 0.00 C +HETATM 2404 O1 UFX A 201 13.107 36.215 29.724 1.00 0.00 O +HETATM 2405 H1 UFX A 201 11.326 35.004 30.998 1.00 0.00 H +HETATM 2406 H2 UFX A 201 9.623 35.608 30.723 1.00 0.00 H +HETATM 2407 H3 UFX A 201 10.040 34.014 30.134 1.00 0.00 H +HETATM 2408 H4 UFX A 201 10.161 35.400 28.269 1.00 0.00 H +HETATM 2409 H5 UFX A 201 10.649 36.817 29.177 1.00 0.00 H +HETATM 2410 H6 UFX A 201 12.573 35.770 27.765 1.00 0.00 H +HETATM 2411 H7 UFX A 201 12.420 34.398 28.876 1.00 0.00 H +HETATM 2412 H8 UFX A 201 12.824 37.144 29.867 1.00 0.00 H +HETATM 2413 C1 UFX A 202 32.623 31.008 11.993 1.00 0.00 C +HETATM 2414 C2 UFX A 202 31.554 30.330 11.059 1.00 0.00 C +HETATM 2415 C3 UFX A 202 31.530 28.782 11.303 1.00 0.00 C +HETATM 2416 O1 UFX A 202 30.847 28.082 10.312 1.00 0.00 O +HETATM 2417 H1 UFX A 202 32.969 31.964 11.600 1.00 0.00 H +HETATM 2418 H2 UFX A 202 32.286 31.185 13.015 1.00 0.00 H +HETATM 2419 H3 UFX A 202 33.494 30.355 11.931 1.00 0.00 H +HETATM 2420 H4 UFX A 202 30.535 30.707 11.141 1.00 0.00 H +HETATM 2421 H5 UFX A 202 31.809 30.473 10.009 1.00 0.00 H +HETATM 2422 H6 UFX A 202 31.122 28.549 12.287 1.00 0.00 H +HETATM 2423 H7 UFX A 202 32.535 28.363 11.261 1.00 0.00 H +HETATM 2424 H8 UFX A 202 29.894 28.063 10.543 1.00 0.00 H +HETATM 2425 C1 UFX A 203 21.322 15.967 35.376 1.00 0.00 C +HETATM 2426 C2 UFX A 203 19.883 15.418 35.503 1.00 0.00 C +HETATM 2427 C3 UFX A 203 19.602 14.850 36.878 1.00 0.00 C +HETATM 2428 O1 UFX A 203 20.195 13.656 37.090 1.00 0.00 O +HETATM 2429 H1 UFX A 203 21.547 16.637 36.206 1.00 0.00 H +HETATM 2430 H2 UFX A 203 22.109 15.213 35.368 1.00 0.00 H +HETATM 2431 H3 UFX A 203 21.223 16.459 34.408 1.00 0.00 H +HETATM 2432 H4 UFX A 203 19.210 16.275 35.476 1.00 0.00 H +HETATM 2433 H5 UFX A 203 19.632 14.626 34.797 1.00 0.00 H +HETATM 2434 H6 UFX A 203 18.521 14.793 37.005 1.00 0.00 H +HETATM 2435 H7 UFX A 203 19.902 15.575 37.636 1.00 0.00 H +HETATM 2436 H8 UFX A 203 20.007 13.325 37.994 1.00 0.00 H +HETATM 2437 C1 UFX A 204 3.343 40.504 16.084 1.00 0.00 C +HETATM 2438 C2 UFX A 204 1.947 39.890 16.734 1.00 0.00 C +HETATM 2439 C3 UFX A 204 1.004 39.217 15.708 1.00 0.00 C +HETATM 2440 O1 UFX A 204 0.898 40.081 14.526 1.00 0.00 O +HETATM 2441 H1 UFX A 204 3.120 41.444 15.578 1.00 0.00 H +HETATM 2442 H2 UFX A 204 4.047 40.695 16.894 1.00 0.00 H +HETATM 2443 H3 UFX A 204 3.776 39.884 15.299 1.00 0.00 H +HETATM 2444 H4 UFX A 204 2.168 39.118 17.472 1.00 0.00 H +HETATM 2445 H5 UFX A 204 1.556 40.739 17.294 1.00 0.00 H +HETATM 2446 H6 UFX A 204 -0.003 39.007 16.068 1.00 0.00 H +HETATM 2447 H7 UFX A 204 1.514 38.334 15.321 1.00 0.00 H +HETATM 2448 H8 UFX A 204 0.565 40.967 14.786 1.00 0.00 H +HETATM 2449 C1 UFX A 205 23.033 30.034 9.339 1.00 0.00 C +HETATM 2450 C2 UFX A 205 23.092 28.983 10.513 1.00 0.00 C +HETATM 2451 C3 UFX A 205 21.612 28.483 10.805 1.00 0.00 C +HETATM 2452 O1 UFX A 205 20.787 29.477 11.296 1.00 0.00 O +HETATM 2453 H1 UFX A 205 22.295 30.813 9.527 1.00 0.00 H +HETATM 2454 H2 UFX A 205 23.971 30.568 9.178 1.00 0.00 H +HETATM 2455 H3 UFX A 205 22.757 29.512 8.423 1.00 0.00 H +HETATM 2456 H4 UFX A 205 23.684 28.092 10.305 1.00 0.00 H +HETATM 2457 H5 UFX A 205 23.523 29.528 11.353 1.00 0.00 H +HETATM 2458 H6 UFX A 205 21.531 27.639 11.490 1.00 0.00 H +HETATM 2459 H7 UFX A 205 21.181 28.034 9.910 1.00 0.00 H +HETATM 2460 H8 UFX A 205 19.831 29.285 11.190 1.00 0.00 H +HETATM 2461 C1 UFX A 206 41.551 19.193 48.256 1.00 0.00 C +HETATM 2462 C2 UFX A 206 40.052 18.879 48.389 1.00 0.00 C +HETATM 2463 C3 UFX A 206 39.780 17.416 48.056 1.00 0.00 C +HETATM 2464 O1 UFX A 206 40.182 17.277 46.714 1.00 0.00 O +HETATM 2465 H1 UFX A 206 42.111 18.390 48.736 1.00 0.00 H +HETATM 2466 H2 UFX A 206 41.846 19.195 47.207 1.00 0.00 H +HETATM 2467 H3 UFX A 206 41.810 20.135 48.741 1.00 0.00 H +HETATM 2468 H4 UFX A 206 39.753 18.991 49.431 1.00 0.00 H +HETATM 2469 H5 UFX A 206 39.497 19.526 47.709 1.00 0.00 H +HETATM 2470 H6 UFX A 206 38.708 17.247 48.150 1.00 0.00 H +HETATM 2471 H7 UFX A 206 40.260 16.730 48.754 1.00 0.00 H +HETATM 2472 H8 UFX A 206 40.193 18.155 46.278 1.00 0.00 H +HETATM 2473 C1 UFX A 207 20.723 45.983 44.967 1.00 0.00 C +HETATM 2474 C2 UFX A 207 19.254 45.556 44.781 1.00 0.00 C +HETATM 2475 C3 UFX A 207 19.101 44.373 43.893 1.00 0.00 C +HETATM 2476 O1 UFX A 207 19.464 44.651 42.521 1.00 0.00 O +HETATM 2477 H1 UFX A 207 21.177 45.188 45.559 1.00 0.00 H +HETATM 2478 H2 UFX A 207 21.160 46.204 43.993 1.00 0.00 H +HETATM 2479 H3 UFX A 207 20.797 46.977 45.408 1.00 0.00 H +HETATM 2480 H4 UFX A 207 18.752 45.431 45.740 1.00 0.00 H +HETATM 2481 H5 UFX A 207 18.743 46.431 44.379 1.00 0.00 H +HETATM 2482 H6 UFX A 207 18.083 43.985 43.862 1.00 0.00 H +HETATM 2483 H7 UFX A 207 19.731 43.598 44.329 1.00 0.00 H +HETATM 2484 H8 UFX A 207 20.368 45.026 42.445 1.00 0.00 H +HETATM 2485 C1 UFX A 208 -6.820 56.440 19.172 1.00 0.00 C +HETATM 2486 C2 UFX A 208 -6.285 56.563 17.676 1.00 0.00 C +HETATM 2487 C3 UFX A 208 -5.750 55.172 17.236 1.00 0.00 C +HETATM 2488 O1 UFX A 208 -4.602 54.899 18.122 1.00 0.00 O +HETATM 2489 H1 UFX A 208 -5.960 56.378 19.838 1.00 0.00 H +HETATM 2490 H2 UFX A 208 -7.314 57.374 19.443 1.00 0.00 H +HETATM 2491 H3 UFX A 208 -7.406 55.545 19.384 1.00 0.00 H +HETATM 2492 H4 UFX A 208 -7.132 56.845 17.051 1.00 0.00 H +HETATM 2493 H5 UFX A 208 -5.583 57.385 17.534 1.00 0.00 H +HETATM 2494 H6 UFX A 208 -5.450 55.104 16.190 1.00 0.00 H +HETATM 2495 H7 UFX A 208 -6.437 54.356 17.457 1.00 0.00 H +HETATM 2496 H8 UFX A 208 -4.884 54.602 19.013 1.00 0.00 H +HETATM 2497 C1 UFX A 209 -0.997 51.266 -19.427 1.00 0.00 C +HETATM 2498 C2 UFX A 209 -0.047 52.090 -18.309 1.00 0.00 C +HETATM 2499 C3 UFX A 209 -0.756 52.899 -17.341 1.00 0.00 C +HETATM 2500 O1 UFX A 209 -1.643 52.011 -16.640 1.00 0.00 O +HETATM 2501 H1 UFX A 209 -1.477 52.060 -19.999 1.00 0.00 H +HETATM 2502 H2 UFX A 209 -0.351 50.663 -20.065 1.00 0.00 H +HETATM 2503 H3 UFX A 209 -1.672 50.582 -18.912 1.00 0.00 H +HETATM 2504 H4 UFX A 209 0.522 51.295 -17.827 1.00 0.00 H +HETATM 2505 H5 UFX A 209 0.681 52.696 -18.848 1.00 0.00 H +HETATM 2506 H6 UFX A 209 -1.313 53.712 -17.807 1.00 0.00 H +HETATM 2507 H7 UFX A 209 -0.062 53.245 -16.575 1.00 0.00 H +HETATM 2508 H8 UFX A 209 -2.089 52.430 -15.873 1.00 0.00 H +HETATM 2509 C1 UFX A 210 4.854 56.267 18.436 1.00 0.00 C +HETATM 2510 C2 UFX A 210 3.495 56.285 19.134 1.00 0.00 C +HETATM 2511 C3 UFX A 210 2.519 57.387 18.436 1.00 0.00 C +HETATM 2512 O1 UFX A 210 3.213 58.632 18.612 1.00 0.00 O +HETATM 2513 H1 UFX A 210 5.267 57.272 18.525 1.00 0.00 H +HETATM 2514 H2 UFX A 210 5.534 55.575 18.933 1.00 0.00 H +HETATM 2515 H3 UFX A 210 4.733 56.016 17.382 1.00 0.00 H +HETATM 2516 H4 UFX A 210 3.064 55.284 19.144 1.00 0.00 H +HETATM 2517 H5 UFX A 210 3.598 56.577 20.179 1.00 0.00 H +HETATM 2518 H6 UFX A 210 1.638 57.413 19.078 1.00 0.00 H +HETATM 2519 H7 UFX A 210 2.236 57.079 17.429 1.00 0.00 H +HETATM 2520 H8 UFX A 210 3.358 58.847 19.558 1.00 0.00 H +HETATM 2521 C1 UFX A 211 0.516 9.774 2.111 1.00 0.00 C +HETATM 2522 C2 UFX A 211 -0.237 10.739 1.099 1.00 0.00 C +HETATM 2523 C3 UFX A 211 -1.659 11.234 1.567 1.00 0.00 C +HETATM 2524 O1 UFX A 211 -2.474 10.020 1.540 1.00 0.00 O +HETATM 2525 H1 UFX A 211 1.539 9.693 1.744 1.00 0.00 H +HETATM 2526 H2 UFX A 211 0.672 10.269 3.069 1.00 0.00 H +HETATM 2527 H3 UFX A 211 -0.037 8.852 2.295 1.00 0.00 H +HETATM 2528 H4 UFX A 211 0.416 11.606 1.003 1.00 0.00 H +HETATM 2529 H5 UFX A 211 -0.234 10.218 0.142 1.00 0.00 H +HETATM 2530 H6 UFX A 211 -2.038 11.960 0.848 1.00 0.00 H +HETATM 2531 H7 UFX A 211 -1.679 11.615 2.588 1.00 0.00 H +HETATM 2532 H8 UFX A 211 -3.367 10.185 1.911 1.00 0.00 H +HETATM 2533 C1 UFX A 212 18.161 38.319 1.905 1.00 0.00 C +HETATM 2534 C2 UFX A 212 17.357 39.130 2.896 1.00 0.00 C +HETATM 2535 C3 UFX A 212 15.916 38.645 2.996 1.00 0.00 C +HETATM 2536 O1 UFX A 212 15.351 39.399 4.126 1.00 0.00 O +HETATM 2537 H1 UFX A 212 18.195 37.281 2.234 1.00 0.00 H +HETATM 2538 H2 UFX A 212 17.705 38.417 0.920 1.00 0.00 H +HETATM 2539 H3 UFX A 212 19.172 38.711 1.785 1.00 0.00 H +HETATM 2540 H4 UFX A 212 17.881 38.973 3.839 1.00 0.00 H +HETATM 2541 H5 UFX A 212 17.342 40.163 2.549 1.00 0.00 H +HETATM 2542 H6 UFX A 212 15.960 37.568 3.158 1.00 0.00 H +HETATM 2543 H7 UFX A 212 15.499 38.843 2.009 1.00 0.00 H +HETATM 2544 H8 UFX A 212 15.430 40.371 4.018 1.00 0.00 H +HETATM 2545 C1 UFX A 213 12.567 29.933 4.532 1.00 0.00 C +HETATM 2546 C2 UFX A 213 11.554 28.913 5.076 1.00 0.00 C +HETATM 2547 C3 UFX A 213 11.740 27.533 4.444 1.00 0.00 C +HETATM 2548 O1 UFX A 213 11.127 27.484 3.110 1.00 0.00 O +HETATM 2549 H1 UFX A 213 13.553 29.468 4.556 1.00 0.00 H +HETATM 2550 H2 UFX A 213 12.326 30.262 3.520 1.00 0.00 H +HETATM 2551 H3 UFX A 213 12.496 30.760 5.239 1.00 0.00 H +HETATM 2552 H4 UFX A 213 11.727 28.678 6.126 1.00 0.00 H +HETATM 2553 H5 UFX A 213 10.560 29.335 4.922 1.00 0.00 H +HETATM 2554 H6 UFX A 213 11.268 26.794 5.091 1.00 0.00 H +HETATM 2555 H7 UFX A 213 12.812 27.333 4.467 1.00 0.00 H +HETATM 2556 H8 UFX A 213 11.218 26.606 2.681 1.00 0.00 H +HETATM 2557 C1 UFX A 214 30.611 66.472 34.037 1.00 0.00 C +HETATM 2558 C2 UFX A 214 32.046 66.127 34.553 1.00 0.00 C +HETATM 2559 C3 UFX A 214 32.111 65.257 35.834 1.00 0.00 C +HETATM 2560 O1 UFX A 214 31.721 63.946 35.577 1.00 0.00 O +HETATM 2561 H1 UFX A 214 30.079 65.555 33.787 1.00 0.00 H +HETATM 2562 H2 UFX A 214 30.059 66.968 34.835 1.00 0.00 H +HETATM 2563 H3 UFX A 214 30.704 67.070 33.130 1.00 0.00 H +HETATM 2564 H4 UFX A 214 32.705 65.728 33.782 1.00 0.00 H +HETATM 2565 H5 UFX A 214 32.599 67.033 34.800 1.00 0.00 H +HETATM 2566 H6 UFX A 214 31.557 65.710 36.656 1.00 0.00 H +HETATM 2567 H7 UFX A 214 33.125 65.326 36.229 1.00 0.00 H +HETATM 2568 H8 UFX A 214 32.206 63.479 34.864 1.00 0.00 H +HETATM 2569 C1 UFX A 215 38.203 42.501 19.112 1.00 0.00 C +HETATM 2570 C2 UFX A 215 37.149 43.222 18.235 1.00 0.00 C +HETATM 2571 C3 UFX A 215 36.634 44.499 18.832 1.00 0.00 C +HETATM 2572 O1 UFX A 215 37.568 45.546 18.740 1.00 0.00 O +HETATM 2573 H1 UFX A 215 38.512 41.530 18.722 1.00 0.00 H +HETATM 2574 H2 UFX A 215 39.092 43.130 19.055 1.00 0.00 H +HETATM 2575 H3 UFX A 215 37.928 42.340 20.154 1.00 0.00 H +HETATM 2576 H4 UFX A 215 37.511 43.381 17.219 1.00 0.00 H +HETATM 2577 H5 UFX A 215 36.303 42.535 18.229 1.00 0.00 H +HETATM 2578 H6 UFX A 215 36.256 44.329 19.840 1.00 0.00 H +HETATM 2579 H7 UFX A 215 35.755 44.834 18.282 1.00 0.00 H +HETATM 2580 H8 UFX A 215 38.084 45.648 19.568 1.00 0.00 H +HETATM 2581 C1 UFX A 216 12.811 9.159 6.424 1.00 0.00 C +HETATM 2582 C2 UFX A 216 13.793 9.860 7.249 1.00 0.00 C +HETATM 2583 C3 UFX A 216 14.959 10.353 6.463 1.00 0.00 C +HETATM 2584 O1 UFX A 216 14.541 11.309 5.507 1.00 0.00 O +HETATM 2585 H1 UFX A 216 12.033 8.544 6.877 1.00 0.00 H +HETATM 2586 H2 UFX A 216 12.181 9.904 5.937 1.00 0.00 H +HETATM 2587 H3 UFX A 216 13.280 8.485 5.707 1.00 0.00 H +HETATM 2588 H4 UFX A 216 13.349 10.671 7.826 1.00 0.00 H +HETATM 2589 H5 UFX A 216 14.223 9.167 7.973 1.00 0.00 H +HETATM 2590 H6 UFX A 216 15.415 9.495 5.968 1.00 0.00 H +HETATM 2591 H7 UFX A 216 15.856 10.687 6.984 1.00 0.00 H +HETATM 2592 H8 UFX A 216 14.046 12.049 5.920 1.00 0.00 H +HETATM 2593 C1 UFX A 217 26.966 32.301 31.535 1.00 0.00 C +HETATM 2594 C2 UFX A 217 27.307 33.651 32.224 1.00 0.00 C +HETATM 2595 C3 UFX A 217 27.320 33.399 33.688 1.00 0.00 C +HETATM 2596 O1 UFX A 217 25.959 33.314 34.130 1.00 0.00 O +HETATM 2597 H1 UFX A 217 26.104 31.768 31.938 1.00 0.00 H +HETATM 2598 H2 UFX A 217 26.944 32.506 30.464 1.00 0.00 H +HETATM 2599 H3 UFX A 217 27.796 31.614 31.702 1.00 0.00 H +HETATM 2600 H4 UFX A 217 28.267 34.064 31.915 1.00 0.00 H +HETATM 2601 H5 UFX A 217 26.544 34.373 31.934 1.00 0.00 H +HETATM 2602 H6 UFX A 217 27.839 34.145 34.289 1.00 0.00 H +HETATM 2603 H7 UFX A 217 27.819 32.463 33.939 1.00 0.00 H +HETATM 2604 H8 UFX A 217 25.889 33.071 35.078 1.00 0.00 H +HETATM 2605 C1 UFX A 218 11.712 22.368 15.757 1.00 0.00 C +HETATM 2606 C2 UFX A 218 12.764 21.247 16.054 1.00 0.00 C +HETATM 2607 C3 UFX A 218 12.985 20.254 14.908 1.00 0.00 C +HETATM 2608 O1 UFX A 218 13.489 20.794 13.725 1.00 0.00 O +HETATM 2609 H1 UFX A 218 12.180 22.981 14.987 1.00 0.00 H +HETATM 2610 H2 UFX A 218 10.785 21.879 15.458 1.00 0.00 H +HETATM 2611 H3 UFX A 218 11.671 23.076 16.584 1.00 0.00 H +HETATM 2612 H4 UFX A 218 13.732 21.684 16.300 1.00 0.00 H +HETATM 2613 H5 UFX A 218 12.513 20.744 16.988 1.00 0.00 H +HETATM 2614 H6 UFX A 218 12.035 19.759 14.705 1.00 0.00 H +HETATM 2615 H7 UFX A 218 13.645 19.483 15.307 1.00 0.00 H +HETATM 2616 H8 UFX A 218 14.432 21.034 13.852 1.00 0.00 H +HETATM 2617 C1 UFX A 219 -41.007 30.066 35.929 1.00 0.00 C +HETATM 2618 C2 UFX A 219 -40.639 30.570 34.516 1.00 0.00 C +HETATM 2619 C3 UFX A 219 -39.275 29.915 34.052 1.00 0.00 C +HETATM 2620 O1 UFX A 219 -39.600 28.613 33.793 1.00 0.00 O +HETATM 2621 H1 UFX A 219 -41.003 28.982 36.043 1.00 0.00 H +HETATM 2622 H2 UFX A 219 -40.294 30.445 36.662 1.00 0.00 H +HETATM 2623 H3 UFX A 219 -42.036 30.281 36.217 1.00 0.00 H +HETATM 2624 H4 UFX A 219 -41.414 30.337 33.786 1.00 0.00 H +HETATM 2625 H5 UFX A 219 -40.513 31.653 34.530 1.00 0.00 H +HETATM 2626 H6 UFX A 219 -38.488 30.054 34.792 1.00 0.00 H +HETATM 2627 H7 UFX A 219 -38.969 30.436 33.145 1.00 0.00 H +HETATM 2628 H8 UFX A 219 -40.280 28.561 33.088 1.00 0.00 H +HETATM 2629 C1 UFX A 220 34.439 16.933 13.941 1.00 0.00 C +HETATM 2630 C2 UFX A 220 35.479 16.248 14.948 1.00 0.00 C +HETATM 2631 C3 UFX A 220 34.621 15.667 16.179 1.00 0.00 C +HETATM 2632 O1 UFX A 220 33.964 16.814 16.802 1.00 0.00 O +HETATM 2633 H1 UFX A 220 33.689 16.161 13.766 1.00 0.00 H +HETATM 2634 H2 UFX A 220 34.020 17.871 14.306 1.00 0.00 H +HETATM 2635 H3 UFX A 220 34.946 17.233 13.024 1.00 0.00 H +HETATM 2636 H4 UFX A 220 35.969 15.419 14.438 1.00 0.00 H +HETATM 2637 H5 UFX A 220 36.221 16.972 15.286 1.00 0.00 H +HETATM 2638 H6 UFX A 220 35.272 15.278 16.963 1.00 0.00 H +HETATM 2639 H7 UFX A 220 33.860 14.972 15.825 1.00 0.00 H +HETATM 2640 H8 UFX A 220 33.353 17.238 16.162 1.00 0.00 H +HETATM 2641 C1 UFX A 221 -0.201 11.100 -12.381 1.00 0.00 C +HETATM 2642 C2 UFX A 221 1.130 11.674 -12.816 1.00 0.00 C +HETATM 2643 C3 UFX A 221 0.935 13.199 -13.004 1.00 0.00 C +HETATM 2644 O1 UFX A 221 0.652 13.824 -11.821 1.00 0.00 O +HETATM 2645 H1 UFX A 221 -0.093 10.025 -12.235 1.00 0.00 H +HETATM 2646 H2 UFX A 221 -0.452 11.513 -11.404 1.00 0.00 H +HETATM 2647 H3 UFX A 221 -0.992 11.322 -13.098 1.00 0.00 H +HETATM 2648 H4 UFX A 221 1.970 11.513 -12.139 1.00 0.00 H +HETATM 2649 H5 UFX A 221 1.423 11.246 -13.775 1.00 0.00 H +HETATM 2650 H6 UFX A 221 0.211 13.472 -13.772 1.00 0.00 H +HETATM 2651 H7 UFX A 221 1.846 13.605 -13.442 1.00 0.00 H +HETATM 2652 H8 UFX A 221 1.077 14.708 -11.805 1.00 0.00 H +HETATM 2653 C1 UFX A 222 -3.913 29.252 26.311 1.00 0.00 C +HETATM 2654 C2 UFX A 222 -3.074 30.280 26.997 1.00 0.00 C +HETATM 2655 C3 UFX A 222 -3.884 30.762 28.142 1.00 0.00 C +HETATM 2656 O1 UFX A 222 -4.410 29.675 28.881 1.00 0.00 O +HETATM 2657 H1 UFX A 222 -4.830 29.758 26.011 1.00 0.00 H +HETATM 2658 H2 UFX A 222 -3.394 28.824 25.452 1.00 0.00 H +HETATM 2659 H3 UFX A 222 -4.108 28.376 26.930 1.00 0.00 H +HETATM 2660 H4 UFX A 222 -2.076 29.888 27.195 1.00 0.00 H +HETATM 2661 H5 UFX A 222 -2.730 31.092 26.355 1.00 0.00 H +HETATM 2662 H6 UFX A 222 -4.617 31.434 27.695 1.00 0.00 H +HETATM 2663 H7 UFX A 222 -3.180 31.268 28.802 1.00 0.00 H +HETATM 2664 H8 UFX A 222 -3.745 29.197 29.421 1.00 0.00 H +HETATM 2665 C1 UFX A 223 21.269 38.694 11.397 1.00 0.00 C +HETATM 2666 C2 UFX A 223 20.732 39.422 10.121 1.00 0.00 C +HETATM 2667 C3 UFX A 223 21.818 40.137 9.329 1.00 0.00 C +HETATM 2668 O1 UFX A 223 22.477 41.091 10.178 1.00 0.00 O +HETATM 2669 H1 UFX A 223 20.483 38.068 11.820 1.00 0.00 H +HETATM 2670 H2 UFX A 223 22.034 37.936 11.230 1.00 0.00 H +HETATM 2671 H3 UFX A 223 21.697 39.450 12.057 1.00 0.00 H +HETATM 2672 H4 UFX A 223 20.270 38.770 9.380 1.00 0.00 H +HETATM 2673 H5 UFX A 223 19.983 40.180 10.351 1.00 0.00 H +HETATM 2674 H6 UFX A 223 21.272 40.654 8.541 1.00 0.00 H +HETATM 2675 H7 UFX A 223 22.533 39.415 8.933 1.00 0.00 H +HETATM 2676 H8 UFX A 223 22.556 41.939 9.690 1.00 0.00 H +HETATM 2677 C1 UFX A 224 14.231 34.886 11.344 1.00 0.00 C +HETATM 2678 C2 UFX A 224 13.738 36.049 12.224 1.00 0.00 C +HETATM 2679 C3 UFX A 224 14.678 36.460 13.281 1.00 0.00 C +HETATM 2680 O1 UFX A 224 14.247 37.650 13.914 1.00 0.00 O +HETATM 2681 H1 UFX A 224 14.112 33.923 11.841 1.00 0.00 H +HETATM 2682 H2 UFX A 224 13.601 34.801 10.458 1.00 0.00 H +HETATM 2683 H3 UFX A 224 15.254 34.983 10.981 1.00 0.00 H +HETATM 2684 H4 UFX A 224 13.524 36.831 11.495 1.00 0.00 H +HETATM 2685 H5 UFX A 224 12.775 35.888 12.708 1.00 0.00 H +HETATM 2686 H6 UFX A 224 15.680 36.594 12.873 1.00 0.00 H +HETATM 2687 H7 UFX A 224 14.755 35.656 14.013 1.00 0.00 H +HETATM 2688 H8 UFX A 224 13.667 37.486 14.688 1.00 0.00 H +HETATM 2689 C1 UFX A 225 22.887 35.113 27.562 1.00 0.00 C +HETATM 2690 C2 UFX A 225 22.985 35.145 29.094 1.00 0.00 C +HETATM 2691 C3 UFX A 225 23.478 33.801 29.698 1.00 0.00 C +HETATM 2692 O1 UFX A 225 22.470 32.935 29.972 1.00 0.00 O +HETATM 2693 H1 UFX A 225 22.491 36.082 27.259 1.00 0.00 H +HETATM 2694 H2 UFX A 225 23.871 34.996 27.107 1.00 0.00 H +HETATM 2695 H3 UFX A 225 22.186 34.444 27.062 1.00 0.00 H +HETATM 2696 H4 UFX A 225 23.638 35.964 29.399 1.00 0.00 H +HETATM 2697 H5 UFX A 225 22.028 35.410 29.543 1.00 0.00 H +HETATM 2698 H6 UFX A 225 23.955 33.970 30.664 1.00 0.00 H +HETATM 2699 H7 UFX A 225 24.292 33.375 29.112 1.00 0.00 H +HETATM 2700 H8 UFX A 225 21.817 33.254 30.631 1.00 0.00 H +HETATM 2701 C1 UFX A 226 32.284 34.876 -2.915 1.00 0.00 C +HETATM 2702 C2 UFX A 226 31.817 34.218 -1.652 1.00 0.00 C +HETATM 2703 C3 UFX A 226 30.381 33.657 -1.754 1.00 0.00 C +HETATM 2704 O1 UFX A 226 29.391 34.551 -2.343 1.00 0.00 O +HETATM 2705 H1 UFX A 226 33.235 35.344 -2.659 1.00 0.00 H +HETATM 2706 H2 UFX A 226 32.435 34.236 -3.785 1.00 0.00 H +HETATM 2707 H3 UFX A 226 31.738 35.765 -3.232 1.00 0.00 H +HETATM 2708 H4 UFX A 226 32.468 33.399 -1.344 1.00 0.00 H +HETATM 2709 H5 UFX A 226 31.892 34.954 -0.851 1.00 0.00 H +HETATM 2710 H6 UFX A 226 30.150 33.262 -0.764 1.00 0.00 H +HETATM 2711 H7 UFX A 226 30.431 32.822 -2.454 1.00 0.00 H +HETATM 2712 H8 UFX A 226 29.284 35.344 -1.775 1.00 0.00 H +HETATM 2713 C1 UFX A 227 11.404 33.258 25.827 1.00 0.00 C +HETATM 2714 C2 UFX A 227 12.822 33.655 25.466 1.00 0.00 C +HETATM 2715 C3 UFX A 227 13.607 32.657 24.620 1.00 0.00 C +HETATM 2716 O1 UFX A 227 13.767 31.353 25.237 1.00 0.00 O +HETATM 2717 H1 UFX A 227 10.886 34.047 26.371 1.00 0.00 H +HETATM 2718 H2 UFX A 227 10.910 33.136 24.863 1.00 0.00 H +HETATM 2719 H3 UFX A 227 11.417 32.412 26.515 1.00 0.00 H +HETATM 2720 H4 UFX A 227 12.752 34.559 24.861 1.00 0.00 H +HETATM 2721 H5 UFX A 227 13.363 33.987 26.353 1.00 0.00 H +HETATM 2722 H6 UFX A 227 14.599 33.057 24.406 1.00 0.00 H +HETATM 2723 H7 UFX A 227 13.206 32.530 23.614 1.00 0.00 H +HETATM 2724 H8 UFX A 227 14.539 30.901 24.834 1.00 0.00 H +HETATM 2725 C1 UFX A 228 -22.438 22.642 -11.992 1.00 0.00 C +HETATM 2726 C2 UFX A 228 -21.487 21.441 -12.021 1.00 0.00 C +HETATM 2727 C3 UFX A 228 -21.096 21.098 -10.614 1.00 0.00 C +HETATM 2728 O1 UFX A 228 -19.973 20.175 -10.623 1.00 0.00 O +HETATM 2729 H1 UFX A 228 -21.905 23.488 -11.557 1.00 0.00 H +HETATM 2730 H2 UFX A 228 -22.616 23.047 -12.988 1.00 0.00 H +HETATM 2731 H3 UFX A 228 -23.363 22.442 -11.451 1.00 0.00 H +HETATM 2732 H4 UFX A 228 -21.890 20.564 -12.528 1.00 0.00 H +HETATM 2733 H5 UFX A 228 -20.628 21.797 -12.591 1.00 0.00 H +HETATM 2734 H6 UFX A 228 -21.934 20.745 -10.012 1.00 0.00 H +HETATM 2735 H7 UFX A 228 -20.765 22.008 -10.114 1.00 0.00 H +HETATM 2736 H8 UFX A 228 -19.628 20.088 -9.709 1.00 0.00 H +HETATM 2737 C1 UFX A 229 18.661 3.324 12.610 1.00 0.00 C +HETATM 2738 C2 UFX A 229 19.257 3.181 11.145 1.00 0.00 C +HETATM 2739 C3 UFX A 229 18.439 4.065 10.144 1.00 0.00 C +HETATM 2740 O1 UFX A 229 18.989 3.913 8.802 1.00 0.00 O +HETATM 2741 H1 UFX A 229 17.658 2.909 12.714 1.00 0.00 H +HETATM 2742 H2 UFX A 229 19.225 2.670 13.275 1.00 0.00 H +HETATM 2743 H3 UFX A 229 18.657 4.340 13.005 1.00 0.00 H +HETATM 2744 H4 UFX A 229 20.314 3.449 11.179 1.00 0.00 H +HETATM 2745 H5 UFX A 229 19.217 2.144 10.812 1.00 0.00 H +HETATM 2746 H6 UFX A 229 18.530 5.122 10.394 1.00 0.00 H +HETATM 2747 H7 UFX A 229 17.391 3.818 9.971 1.00 0.00 H +HETATM 2748 H8 UFX A 229 18.543 4.521 8.175 1.00 0.00 H +HETATM 2749 C1 UFX A 230 33.494 46.417 -2.121 1.00 0.00 C +HETATM 2750 C2 UFX A 230 34.398 47.146 -1.147 1.00 0.00 C +HETATM 2751 C3 UFX A 230 35.115 48.230 -1.922 1.00 0.00 C +HETATM 2752 O1 UFX A 230 34.226 49.278 -2.295 1.00 0.00 O +HETATM 2753 H1 UFX A 230 32.677 47.127 -2.254 1.00 0.00 H +HETATM 2754 H2 UFX A 230 33.999 46.195 -3.060 1.00 0.00 H +HETATM 2755 H3 UFX A 230 33.190 45.524 -1.575 1.00 0.00 H +HETATM 2756 H4 UFX A 230 33.922 47.493 -0.229 1.00 0.00 H +HETATM 2757 H5 UFX A 230 35.094 46.335 -0.934 1.00 0.00 H +HETATM 2758 H6 UFX A 230 35.557 47.816 -2.828 1.00 0.00 H +HETATM 2759 H7 UFX A 230 35.887 48.641 -1.272 1.00 0.00 H +HETATM 2760 H8 UFX A 230 33.916 49.769 -1.504 1.00 0.00 H +HETATM 2761 C1 UFX A 231 50.737 26.967 7.956 1.00 0.00 C +HETATM 2762 C2 UFX A 231 50.923 28.457 7.585 1.00 0.00 C +HETATM 2763 C3 UFX A 231 49.929 28.834 6.478 1.00 0.00 C +HETATM 2764 O1 UFX A 231 50.405 28.382 5.195 1.00 0.00 O +HETATM 2765 H1 UFX A 231 51.520 26.698 8.665 1.00 0.00 H +HETATM 2766 H2 UFX A 231 49.716 26.758 8.278 1.00 0.00 H +HETATM 2767 H3 UFX A 231 50.964 26.360 7.080 1.00 0.00 H +HETATM 2768 H4 UFX A 231 50.832 29.072 8.480 1.00 0.00 H +HETATM 2769 H5 UFX A 231 51.949 28.606 7.249 1.00 0.00 H +HETATM 2770 H6 UFX A 231 49.837 29.920 6.474 1.00 0.00 H +HETATM 2771 H7 UFX A 231 48.934 28.459 6.718 1.00 0.00 H +HETATM 2772 H8 UFX A 231 50.193 27.430 5.090 1.00 0.00 H +HETATM 2773 C1 UFX A 232 5.312 9.218 1.043 1.00 0.00 C +HETATM 2774 C2 UFX A 232 6.210 8.483 2.131 1.00 0.00 C +HETATM 2775 C3 UFX A 232 5.863 6.919 2.193 1.00 0.00 C +HETATM 2776 O1 UFX A 232 7.125 6.186 2.276 1.00 0.00 O +HETATM 2777 H1 UFX A 232 4.275 8.957 1.255 1.00 0.00 H +HETATM 2778 H2 UFX A 232 5.468 10.295 1.117 1.00 0.00 H +HETATM 2779 H3 UFX A 232 5.531 8.772 0.073 1.00 0.00 H +HETATM 2780 H4 UFX A 232 7.253 8.609 1.841 1.00 0.00 H +HETATM 2781 H5 UFX A 232 6.161 9.013 3.082 1.00 0.00 H +HETATM 2782 H6 UFX A 232 5.271 6.638 1.322 1.00 0.00 H +HETATM 2783 H7 UFX A 232 5.272 6.734 3.090 1.00 0.00 H +HETATM 2784 H8 UFX A 232 6.988 5.259 1.986 1.00 0.00 H +HETATM 2785 C1 UFX A 233 -2.897 21.821 6.801 1.00 0.00 C +HETATM 2786 C2 UFX A 233 -1.919 21.886 7.943 1.00 0.00 C +HETATM 2787 C3 UFX A 233 -2.621 22.138 9.275 1.00 0.00 C +HETATM 2788 O1 UFX A 233 -2.930 23.514 9.383 1.00 0.00 O +HETATM 2789 H1 UFX A 233 -3.734 21.153 7.002 1.00 0.00 H +HETATM 2790 H2 UFX A 233 -3.422 22.725 6.495 1.00 0.00 H +HETATM 2791 H3 UFX A 233 -2.317 21.475 5.945 1.00 0.00 H +HETATM 2792 H4 UFX A 233 -1.473 20.891 7.967 1.00 0.00 H +HETATM 2793 H5 UFX A 233 -1.162 22.653 7.781 1.00 0.00 H +HETATM 2794 H6 UFX A 233 -1.971 21.729 10.049 1.00 0.00 H +HETATM 2795 H7 UFX A 233 -3.448 21.429 9.291 1.00 0.00 H +HETATM 2796 H8 UFX A 233 -3.414 23.726 10.211 1.00 0.00 H +HETATM 2797 C1 UFX A 234 -19.649 39.337 27.572 1.00 0.00 C +HETATM 2798 C2 UFX A 234 -18.857 39.487 26.253 1.00 0.00 C +HETATM 2799 C3 UFX A 234 -17.321 39.715 26.459 1.00 0.00 C +HETATM 2800 O1 UFX A 234 -17.143 40.956 27.019 1.00 0.00 O +HETATM 2801 H1 UFX A 234 -20.698 39.098 27.397 1.00 0.00 H +HETATM 2802 H2 UFX A 234 -19.187 38.610 28.240 1.00 0.00 H +HETATM 2803 H3 UFX A 234 -19.503 40.207 28.212 1.00 0.00 H +HETATM 2804 H4 UFX A 234 -18.982 38.576 25.667 1.00 0.00 H +HETATM 2805 H5 UFX A 234 -19.303 40.326 25.719 1.00 0.00 H +HETATM 2806 H6 UFX A 234 -16.890 39.706 25.457 1.00 0.00 H +HETATM 2807 H7 UFX A 234 -17.006 39.024 27.241 1.00 0.00 H +HETATM 2808 H8 UFX A 234 -16.208 41.146 27.248 1.00 0.00 H +HETATM 2809 C1 UFX A 235 13.981 5.084 6.935 1.00 0.00 C +HETATM 2810 C2 UFX A 235 15.353 5.330 7.671 1.00 0.00 C +HETATM 2811 C3 UFX A 235 16.436 6.112 6.918 1.00 0.00 C +HETATM 2812 O1 UFX A 235 17.675 5.939 7.626 1.00 0.00 O +HETATM 2813 H1 UFX A 235 13.280 4.554 7.580 1.00 0.00 H +HETATM 2814 H2 UFX A 235 13.596 6.061 6.643 1.00 0.00 H +HETATM 2815 H3 UFX A 235 14.071 4.579 5.973 1.00 0.00 H +HETATM 2816 H4 UFX A 235 15.122 5.711 8.665 1.00 0.00 H +HETATM 2817 H5 UFX A 235 15.713 4.325 7.895 1.00 0.00 H +HETATM 2818 H6 UFX A 235 16.137 7.158 6.851 1.00 0.00 H +HETATM 2819 H7 UFX A 235 16.497 5.733 5.898 1.00 0.00 H +HETATM 2820 H8 UFX A 235 18.356 6.562 7.293 1.00 0.00 H +HETATM 2821 C1 UFX A 236 1.355 3.434 10.001 1.00 0.00 C +HETATM 2822 C2 UFX A 236 2.348 4.466 10.461 1.00 0.00 C +HETATM 2823 C3 UFX A 236 2.611 5.428 9.269 1.00 0.00 C +HETATM 2824 O1 UFX A 236 1.427 5.838 8.557 1.00 0.00 O +HETATM 2825 H1 UFX A 236 0.330 3.794 9.912 1.00 0.00 H +HETATM 2826 H2 UFX A 236 1.622 2.937 9.068 1.00 0.00 H +HETATM 2827 H3 UFX A 236 1.345 2.602 10.705 1.00 0.00 H +HETATM 2828 H4 UFX A 236 1.944 4.991 11.326 1.00 0.00 H +HETATM 2829 H5 UFX A 236 3.286 4.005 10.770 1.00 0.00 H +HETATM 2830 H6 UFX A 236 3.266 4.895 8.578 1.00 0.00 H +HETATM 2831 H7 UFX A 236 3.279 6.217 9.614 1.00 0.00 H +HETATM 2832 H8 UFX A 236 1.679 6.348 7.758 1.00 0.00 H +HETATM 2833 C1 UFX A 237 25.718 14.740 2.227 1.00 0.00 C +HETATM 2834 C2 UFX A 237 27.162 14.366 2.017 1.00 0.00 C +HETATM 2835 C3 UFX A 237 27.470 14.362 0.568 1.00 0.00 C +HETATM 2836 O1 UFX A 237 26.885 13.307 -0.241 1.00 0.00 O +HETATM 2837 H1 UFX A 237 25.401 15.585 1.616 1.00 0.00 H +HETATM 2838 H2 UFX A 237 25.046 13.909 2.012 1.00 0.00 H +HETATM 2839 H3 UFX A 237 25.534 15.041 3.258 1.00 0.00 H +HETATM 2840 H4 UFX A 237 27.697 15.196 2.480 1.00 0.00 H +HETATM 2841 H5 UFX A 237 27.460 13.432 2.494 1.00 0.00 H +HETATM 2842 H6 UFX A 237 28.555 14.282 0.501 1.00 0.00 H +HETATM 2843 H7 UFX A 237 27.229 15.359 0.198 1.00 0.00 H +HETATM 2844 H8 UFX A 237 27.163 13.396 -1.178 1.00 0.00 H +HETATM 2845 C1 UFX A 238 41.282 12.789 48.695 1.00 0.00 C +HETATM 2846 C2 UFX A 238 40.281 12.504 47.493 1.00 0.00 C +HETATM 2847 C3 UFX A 238 39.808 13.841 46.938 1.00 0.00 C +HETATM 2848 O1 UFX A 238 40.841 14.543 46.319 1.00 0.00 O +HETATM 2849 H1 UFX A 238 41.278 11.881 49.297 1.00 0.00 H +HETATM 2850 H2 UFX A 238 42.257 13.077 48.301 1.00 0.00 H +HETATM 2851 H3 UFX A 238 40.881 13.587 49.320 1.00 0.00 H +HETATM 2852 H4 UFX A 238 40.754 11.871 46.741 1.00 0.00 H +HETATM 2853 H5 UFX A 238 39.430 11.946 47.884 1.00 0.00 H +HETATM 2854 H6 UFX A 238 39.415 14.478 47.731 1.00 0.00 H +HETATM 2855 H7 UFX A 238 39.009 13.684 46.213 1.00 0.00 H +HETATM 2856 H8 UFX A 238 40.571 15.486 46.295 1.00 0.00 H +HETATM 2857 C1 UFX A 239 4.406 21.476 29.690 1.00 0.00 C +HETATM 2858 C2 UFX A 239 4.967 21.224 31.048 1.00 0.00 C +HETATM 2859 C3 UFX A 239 4.173 21.882 32.162 1.00 0.00 C +HETATM 2860 O1 UFX A 239 2.850 21.406 32.333 1.00 0.00 O +HETATM 2861 H1 UFX A 239 5.066 21.032 28.944 1.00 0.00 H +HETATM 2862 H2 UFX A 239 3.382 21.107 29.638 1.00 0.00 H +HETATM 2863 H3 UFX A 239 4.469 22.535 29.438 1.00 0.00 H +HETATM 2864 H4 UFX A 239 5.017 20.159 31.278 1.00 0.00 H +HETATM 2865 H5 UFX A 239 5.993 21.588 31.007 1.00 0.00 H +HETATM 2866 H6 UFX A 239 4.166 22.947 31.932 1.00 0.00 H +HETATM 2867 H7 UFX A 239 4.731 21.748 33.088 1.00 0.00 H +HETATM 2868 H8 UFX A 239 2.286 21.946 32.927 1.00 0.00 H +HETATM 2869 C1 UFX A 240 1.451 52.378 8.734 1.00 0.00 C +HETATM 2870 C2 UFX A 240 2.908 52.838 8.816 1.00 0.00 C +HETATM 2871 C3 UFX A 240 3.388 52.638 10.191 1.00 0.00 C +HETATM 2872 O1 UFX A 240 4.796 52.994 10.268 1.00 0.00 O +HETATM 2873 H1 UFX A 240 1.216 51.411 9.180 1.00 0.00 H +HETATM 2874 H2 UFX A 240 0.920 53.152 9.289 1.00 0.00 H +HETATM 2875 H3 UFX A 240 1.105 52.388 7.700 1.00 0.00 H +HETATM 2876 H4 UFX A 240 3.588 52.418 8.075 1.00 0.00 H +HETATM 2877 H5 UFX A 240 2.931 53.920 8.689 1.00 0.00 H +HETATM 2878 H6 UFX A 240 3.248 51.595 10.475 1.00 0.00 H +HETATM 2879 H7 UFX A 240 2.882 53.254 10.935 1.00 0.00 H +HETATM 2880 H8 UFX A 240 5.268 52.385 9.661 1.00 0.00 H +HETATM 2881 C1 UFX A 241 30.318 43.420 29.150 1.00 0.00 C +HETATM 2882 C2 UFX A 241 29.509 44.709 29.320 1.00 0.00 C +HETATM 2883 C3 UFX A 241 28.212 44.733 28.454 1.00 0.00 C +HETATM 2884 O1 UFX A 241 27.267 43.776 29.030 1.00 0.00 O +HETATM 2885 H1 UFX A 241 31.244 43.525 29.716 1.00 0.00 H +HETATM 2886 H2 UFX A 241 29.798 42.534 29.515 1.00 0.00 H +HETATM 2887 H3 UFX A 241 30.631 43.262 28.117 1.00 0.00 H +HETATM 2888 H4 UFX A 241 29.315 44.785 30.390 1.00 0.00 H +HETATM 2889 H5 UFX A 241 30.196 45.507 29.037 1.00 0.00 H +HETATM 2890 H6 UFX A 241 28.496 44.535 27.421 1.00 0.00 H +HETATM 2891 H7 UFX A 241 27.700 45.689 28.562 1.00 0.00 H +HETATM 2892 H8 UFX A 241 26.568 43.608 28.362 1.00 0.00 H +HETATM 2893 C1 UFX A 242 -28.876 12.518 9.020 1.00 0.00 C +HETATM 2894 C2 UFX A 242 -28.178 11.298 8.294 1.00 0.00 C +HETATM 2895 C3 UFX A 242 -28.681 9.930 8.794 1.00 0.00 C +HETATM 2896 O1 UFX A 242 -29.960 9.605 8.296 1.00 0.00 O +HETATM 2897 H1 UFX A 242 -28.574 12.562 10.067 1.00 0.00 H +HETATM 2898 H2 UFX A 242 -28.616 13.461 8.539 1.00 0.00 H +HETATM 2899 H3 UFX A 242 -29.959 12.401 8.988 1.00 0.00 H +HETATM 2900 H4 UFX A 242 -28.295 11.286 7.210 1.00 0.00 H +HETATM 2901 H5 UFX A 242 -27.107 11.378 8.479 1.00 0.00 H +HETATM 2902 H6 UFX A 242 -28.678 9.908 9.884 1.00 0.00 H +HETATM 2903 H7 UFX A 242 -28.118 9.067 8.440 1.00 0.00 H +HETATM 2904 H8 UFX A 242 -30.675 10.084 8.768 1.00 0.00 H +HETATM 2905 C1 UFX A 243 10.217 -4.240 19.508 1.00 0.00 C +HETATM 2906 C2 UFX A 243 9.519 -3.175 18.708 1.00 0.00 C +HETATM 2907 C3 UFX A 243 8.001 -3.002 19.035 1.00 0.00 C +HETATM 2908 O1 UFX A 243 7.317 -4.283 19.044 1.00 0.00 O +HETATM 2909 H1 UFX A 243 10.027 -4.091 20.571 1.00 0.00 H +HETATM 2910 H2 UFX A 243 9.868 -5.217 19.173 1.00 0.00 H +HETATM 2911 H3 UFX A 243 11.303 -4.178 19.444 1.00 0.00 H +HETATM 2912 H4 UFX A 243 10.039 -2.234 18.887 1.00 0.00 H +HETATM 2913 H5 UFX A 243 9.633 -3.396 17.647 1.00 0.00 H +HETATM 2914 H6 UFX A 243 7.482 -2.361 18.322 1.00 0.00 H +HETATM 2915 H7 UFX A 243 7.942 -2.681 20.075 1.00 0.00 H +HETATM 2916 H8 UFX A 243 6.977 -4.557 18.166 1.00 0.00 H +HETATM 2917 C1 UFX A 244 18.117 -0.526 12.979 1.00 0.00 C +HETATM 2918 C2 UFX A 244 17.337 -1.840 13.471 1.00 0.00 C +HETATM 2919 C3 UFX A 244 18.097 -3.150 13.148 1.00 0.00 C +HETATM 2920 O1 UFX A 244 18.182 -3.347 11.706 1.00 0.00 O +HETATM 2921 H1 UFX A 244 17.579 0.309 13.429 1.00 0.00 H +HETATM 2922 H2 UFX A 244 19.145 -0.483 13.339 1.00 0.00 H +HETATM 2923 H3 UFX A 244 18.153 -0.601 11.893 1.00 0.00 H +HETATM 2924 H4 UFX A 244 17.234 -1.765 14.553 1.00 0.00 H +HETATM 2925 H5 UFX A 244 16.311 -1.797 13.107 1.00 0.00 H +HETATM 2926 H6 UFX A 244 17.609 -4.054 13.513 1.00 0.00 H +HETATM 2927 H7 UFX A 244 19.137 -3.084 13.465 1.00 0.00 H +HETATM 2928 H8 UFX A 244 17.299 -3.194 11.307 1.00 0.00 H +HETATM 2929 C1 UFX A 245 6.726 35.930 41.411 1.00 0.00 C +HETATM 2930 C2 UFX A 245 7.395 34.720 42.092 1.00 0.00 C +HETATM 2931 C3 UFX A 245 7.149 34.707 43.601 1.00 0.00 C +HETATM 2932 O1 UFX A 245 7.448 33.407 44.163 1.00 0.00 O +HETATM 2933 H1 UFX A 245 6.991 35.935 40.354 1.00 0.00 H +HETATM 2934 H2 UFX A 245 5.645 35.822 41.493 1.00 0.00 H +HETATM 2935 H3 UFX A 245 7.152 36.848 41.815 1.00 0.00 H +HETATM 2936 H4 UFX A 245 6.829 33.874 41.701 1.00 0.00 H +HETATM 2937 H5 UFX A 245 8.454 34.579 41.876 1.00 0.00 H +HETATM 2938 H6 UFX A 245 6.118 34.914 43.886 1.00 0.00 H +HETATM 2939 H7 UFX A 245 7.792 35.466 44.047 1.00 0.00 H +HETATM 2940 H8 UFX A 245 8.410 33.337 44.348 1.00 0.00 H +HETATM 2941 C1 UFX A 246 43.147 31.875 10.225 1.00 0.00 C +HETATM 2942 C2 UFX A 246 42.455 32.908 11.121 1.00 0.00 C +HETATM 2943 C3 UFX A 246 42.670 32.619 12.621 1.00 0.00 C +HETATM 2944 O1 UFX A 246 41.750 33.246 13.541 1.00 0.00 O +HETATM 2945 H1 UFX A 246 42.939 30.824 10.428 1.00 0.00 H +HETATM 2946 H2 UFX A 246 42.856 31.925 9.176 1.00 0.00 H +HETATM 2947 H3 UFX A 246 44.221 32.059 10.238 1.00 0.00 H +HETATM 2948 H4 UFX A 246 42.822 33.920 10.944 1.00 0.00 H +HETATM 2949 H5 UFX A 246 41.397 32.923 10.860 1.00 0.00 H +HETATM 2950 H6 UFX A 246 43.702 32.939 12.768 1.00 0.00 H +HETATM 2951 H7 UFX A 246 42.581 31.535 12.698 1.00 0.00 H +HETATM 2952 H8 UFX A 246 42.112 33.301 14.451 1.00 0.00 H +HETATM 2953 C1 UFX A 247 20.673 -0.388 15.873 1.00 0.00 C +HETATM 2954 C2 UFX A 247 20.073 0.975 15.495 1.00 0.00 C +HETATM 2955 C3 UFX A 247 20.046 2.051 16.576 1.00 0.00 C +HETATM 2956 O1 UFX A 247 21.363 2.146 16.982 1.00 0.00 O +HETATM 2957 H1 UFX A 247 20.468 -1.155 15.126 1.00 0.00 H +HETATM 2958 H2 UFX A 247 21.716 -0.293 16.175 1.00 0.00 H +HETATM 2959 H3 UFX A 247 20.091 -0.744 16.723 1.00 0.00 H +HETATM 2960 H4 UFX A 247 20.478 1.499 14.629 1.00 0.00 H +HETATM 2961 H5 UFX A 247 19.081 0.694 15.143 1.00 0.00 H +HETATM 2962 H6 UFX A 247 19.466 1.801 17.464 1.00 0.00 H +HETATM 2963 H7 UFX A 247 19.695 2.990 16.150 1.00 0.00 H +HETATM 2964 H8 UFX A 247 21.607 1.362 17.518 1.00 0.00 H +HETATM 2965 C1 UFX A 248 20.281 16.332 9.732 1.00 0.00 C +HETATM 2966 C2 UFX A 248 21.725 16.474 9.192 1.00 0.00 C +HETATM 2967 C3 UFX A 248 22.241 15.126 8.631 1.00 0.00 C +HETATM 2968 O1 UFX A 248 22.185 14.128 9.669 1.00 0.00 O +HETATM 2969 H1 UFX A 248 19.614 16.044 8.919 1.00 0.00 H +HETATM 2970 H2 UFX A 248 20.219 15.659 10.587 1.00 0.00 H +HETATM 2971 H3 UFX A 248 19.903 17.257 10.168 1.00 0.00 H +HETATM 2972 H4 UFX A 248 21.854 17.265 8.452 1.00 0.00 H +HETATM 2973 H5 UFX A 248 22.323 16.826 10.033 1.00 0.00 H +HETATM 2974 H6 UFX A 248 23.257 15.238 8.253 1.00 0.00 H +HETATM 2975 H7 UFX A 248 21.677 14.700 7.801 1.00 0.00 H +HETATM 2976 H8 UFX A 248 22.700 14.404 10.458 1.00 0.00 H +HETATM 2977 C1 UFX A 249 0.896 27.609 26.605 1.00 0.00 C +HETATM 2978 C2 UFX A 249 0.005 27.905 25.438 1.00 0.00 C +HETATM 2979 C3 UFX A 249 -1.146 26.881 25.386 1.00 0.00 C +HETATM 2980 O1 UFX A 249 -0.635 25.610 24.846 1.00 0.00 O +HETATM 2981 H1 UFX A 249 0.321 27.616 27.530 1.00 0.00 H +HETATM 2982 H2 UFX A 249 1.300 26.603 26.483 1.00 0.00 H +HETATM 2983 H3 UFX A 249 1.713 28.331 26.631 1.00 0.00 H +HETATM 2984 H4 UFX A 249 -0.448 28.873 25.650 1.00 0.00 H +HETATM 2985 H5 UFX A 249 0.563 27.978 24.505 1.00 0.00 H +HETATM 2986 H6 UFX A 249 -1.913 27.277 24.721 1.00 0.00 H +HETATM 2987 H7 UFX A 249 -1.519 26.646 26.383 1.00 0.00 H +HETATM 2988 H8 UFX A 249 -0.237 25.644 23.950 1.00 0.00 H +HETATM 2989 C1 UFX A 250 -5.359 37.558 44.157 1.00 0.00 C +HETATM 2990 C2 UFX A 250 -6.839 37.864 44.457 1.00 0.00 C +HETATM 2991 C3 UFX A 250 -7.401 36.891 45.527 1.00 0.00 C +HETATM 2992 O1 UFX A 250 -6.489 36.766 46.670 1.00 0.00 O +HETATM 2993 H1 UFX A 250 -5.165 36.502 43.969 1.00 0.00 H +HETATM 2994 H2 UFX A 250 -4.953 38.152 43.338 1.00 0.00 H +HETATM 2995 H3 UFX A 250 -4.794 37.781 45.062 1.00 0.00 H +HETATM 2996 H4 UFX A 250 -6.764 38.905 44.769 1.00 0.00 H +HETATM 2997 H5 UFX A 250 -7.362 37.801 43.503 1.00 0.00 H +HETATM 2998 H6 UFX A 250 -7.531 35.950 44.992 1.00 0.00 H +HETATM 2999 H7 UFX A 250 -8.387 37.279 45.782 1.00 0.00 H +HETATM 3000 H8 UFX A 250 -6.986 36.943 47.498 1.00 0.00 H +HETATM 3001 C1 UFX A 251 22.322 64.603 12.362 1.00 0.00 C +HETATM 3002 C2 UFX A 251 23.779 64.610 12.823 1.00 0.00 C +HETATM 3003 C3 UFX A 251 23.946 64.337 14.257 1.00 0.00 C +HETATM 3004 O1 UFX A 251 25.257 64.132 14.632 1.00 0.00 O +HETATM 3005 H1 UFX A 251 22.216 64.695 11.281 1.00 0.00 H +HETATM 3006 H2 UFX A 251 21.997 63.607 12.665 1.00 0.00 H +HETATM 3007 H3 UFX A 251 21.724 65.354 12.878 1.00 0.00 H +HETATM 3008 H4 UFX A 251 24.294 63.845 12.242 1.00 0.00 H +HETATM 3009 H5 UFX A 251 24.285 65.529 12.527 1.00 0.00 H +HETATM 3010 H6 UFX A 251 23.477 63.373 14.456 1.00 0.00 H +HETATM 3011 H7 UFX A 251 23.369 65.038 14.861 1.00 0.00 H +HETATM 3012 H8 UFX A 251 25.771 64.966 14.576 1.00 0.00 H +HETATM 3013 C1 UFX A 252 37.798 13.512 11.543 1.00 0.00 C +HETATM 3014 C2 UFX A 252 37.246 14.938 11.637 1.00 0.00 C +HETATM 3015 C3 UFX A 252 38.209 15.829 12.472 1.00 0.00 C +HETATM 3016 O1 UFX A 252 37.757 17.202 12.375 1.00 0.00 O +HETATM 3017 H1 UFX A 252 37.994 13.051 12.511 1.00 0.00 H +HETATM 3018 H2 UFX A 252 37.099 12.805 11.096 1.00 0.00 H +HETATM 3019 H3 UFX A 252 38.683 13.463 10.908 1.00 0.00 H +HETATM 3020 H4 UFX A 252 37.112 15.367 10.644 1.00 0.00 H +HETATM 3021 H5 UFX A 252 36.257 14.918 12.096 1.00 0.00 H +HETATM 3022 H6 UFX A 252 39.256 15.691 12.200 1.00 0.00 H +HETATM 3023 H7 UFX A 252 38.013 15.616 13.523 1.00 0.00 H +HETATM 3024 H8 UFX A 252 38.353 17.834 12.830 1.00 0.00 H +HETATM 3025 C1 UFX A 253 7.076 24.507 10.815 1.00 0.00 C +HETATM 3026 C2 UFX A 253 5.657 24.681 11.171 1.00 0.00 C +HETATM 3027 C3 UFX A 253 5.211 23.984 12.409 1.00 0.00 C +HETATM 3028 O1 UFX A 253 5.561 22.592 12.430 1.00 0.00 O +HETATM 3029 H1 UFX A 253 7.767 24.682 11.640 1.00 0.00 H +HETATM 3030 H2 UFX A 253 7.264 23.522 10.388 1.00 0.00 H +HETATM 3031 H3 UFX A 253 7.391 25.221 10.054 1.00 0.00 H +HETATM 3032 H4 UFX A 253 5.457 25.751 11.226 1.00 0.00 H +HETATM 3033 H5 UFX A 253 5.034 24.258 10.383 1.00 0.00 H +HETATM 3034 H6 UFX A 253 4.125 23.955 12.492 1.00 0.00 H +HETATM 3035 H7 UFX A 253 5.655 24.513 13.252 1.00 0.00 H +HETATM 3036 H8 UFX A 253 5.485 22.163 11.551 1.00 0.00 H +HETATM 3037 C1 UFX A 254 -10.779 26.381 3.169 1.00 0.00 C +HETATM 3038 C2 UFX A 254 -10.765 25.820 1.805 1.00 0.00 C +HETATM 3039 C3 UFX A 254 -11.603 26.572 0.855 1.00 0.00 C +HETATM 3040 O1 UFX A 254 -11.229 27.950 0.704 1.00 0.00 O +HETATM 3041 H1 UFX A 254 -11.813 26.419 3.514 1.00 0.00 H +HETATM 3042 H2 UFX A 254 -10.215 25.658 3.759 1.00 0.00 H +HETATM 3043 H3 UFX A 254 -10.324 27.371 3.203 1.00 0.00 H +HETATM 3044 H4 UFX A 254 -9.736 25.830 1.444 1.00 0.00 H +HETATM 3045 H5 UFX A 254 -11.103 24.785 1.858 1.00 0.00 H +HETATM 3046 H6 UFX A 254 -12.671 26.444 1.033 1.00 0.00 H +HETATM 3047 H7 UFX A 254 -11.433 26.126 -0.125 1.00 0.00 H +HETATM 3048 H8 UFX A 254 -11.407 28.388 1.564 1.00 0.00 H +HETATM 3049 C1 UFX A 255 24.415 37.015 8.800 1.00 0.00 C +HETATM 3050 C2 UFX A 255 23.900 35.627 8.481 1.00 0.00 C +HETATM 3051 C3 UFX A 255 22.659 35.254 9.181 1.00 0.00 C +HETATM 3052 O1 UFX A 255 21.652 35.881 8.362 1.00 0.00 O +HETATM 3053 H1 UFX A 255 24.932 36.940 9.757 1.00 0.00 H +HETATM 3054 H2 UFX A 255 25.091 37.353 8.014 1.00 0.00 H +HETATM 3055 H3 UFX A 255 23.569 37.700 8.757 1.00 0.00 H +HETATM 3056 H4 UFX A 255 23.871 35.510 7.397 1.00 0.00 H +HETATM 3057 H5 UFX A 255 24.652 34.883 8.745 1.00 0.00 H +HETATM 3058 H6 UFX A 255 22.698 35.615 10.209 1.00 0.00 H +HETATM 3059 H7 UFX A 255 22.506 34.179 9.275 1.00 0.00 H +HETATM 3060 H8 UFX A 255 20.718 35.676 8.582 1.00 0.00 H +HETATM 3061 C1 UFX A 256 20.705 14.926 29.999 1.00 0.00 C +HETATM 3062 C2 UFX A 256 20.714 14.848 31.548 1.00 0.00 C +HETATM 3063 C3 UFX A 256 21.996 14.166 32.026 1.00 0.00 C +HETATM 3064 O1 UFX A 256 23.047 15.025 31.604 1.00 0.00 O +HETATM 3065 H1 UFX A 256 21.683 15.156 29.577 1.00 0.00 H +HETATM 3066 H2 UFX A 256 20.333 13.993 29.576 1.00 0.00 H +HETATM 3067 H3 UFX A 256 20.092 15.739 29.607 1.00 0.00 H +HETATM 3068 H4 UFX A 256 20.799 15.819 32.038 1.00 0.00 H +HETATM 3069 H5 UFX A 256 19.882 14.254 31.926 1.00 0.00 H +HETATM 3070 H6 UFX A 256 22.123 13.200 31.536 1.00 0.00 H +HETATM 3071 H7 UFX A 256 21.961 14.018 33.105 1.00 0.00 H +HETATM 3072 H8 UFX A 256 22.813 15.955 31.812 1.00 0.00 H +TER 3073 UFX A 256 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 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2360 2354 +CONECT 2361 2354 +CONECT 2362 2355 +CONECT 2363 2355 +CONECT 2364 2356 +CONECT 2365 2366 2369 2370 2371 +CONECT 2366 2365 2367 2372 2373 +CONECT 2367 2366 2368 2374 2375 +CONECT 2368 2367 2376 +CONECT 2369 2365 +CONECT 2370 2365 +CONECT 2371 2365 +CONECT 2372 2366 +CONECT 2373 2366 +CONECT 2374 2367 +CONECT 2375 2367 +CONECT 2376 2368 +CONECT 2377 2378 2381 2382 2383 +CONECT 2378 2377 2379 2384 2385 +CONECT 2379 2378 2380 2386 2387 +CONECT 2380 2379 2388 +CONECT 2381 2377 +CONECT 2382 2377 +CONECT 2383 2377 +CONECT 2384 2378 +CONECT 2385 2378 +CONECT 2386 2379 +CONECT 2387 2379 +CONECT 2388 2380 +CONECT 2389 2390 2393 2394 2395 +CONECT 2390 2389 2391 2396 2397 +CONECT 2391 2390 2392 2398 2399 +CONECT 2392 2391 2400 +CONECT 2393 2389 +CONECT 2394 2389 +CONECT 2395 2389 +CONECT 2396 2390 +CONECT 2397 2390 +CONECT 2398 2391 +CONECT 2399 2391 +CONECT 2400 2392 +CONECT 2401 2402 2405 2406 2407 +CONECT 2402 2401 2403 2408 2409 +CONECT 2403 2402 2404 2410 2411 +CONECT 2404 2403 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2900 2894 +CONECT 2901 2894 +CONECT 2902 2895 +CONECT 2903 2895 +CONECT 2904 2896 +CONECT 2905 2906 2909 2910 2911 +CONECT 2906 2905 2907 2912 2913 +CONECT 2907 2906 2908 2914 2915 +CONECT 2908 2907 2916 +CONECT 2909 2905 +CONECT 2910 2905 +CONECT 2911 2905 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2907 +CONECT 2916 2908 +CONECT 2917 2918 2921 2922 2923 +CONECT 2918 2917 2919 2924 2925 +CONECT 2919 2918 2920 2926 2927 +CONECT 2920 2919 2928 +CONECT 2921 2917 +CONECT 2922 2917 +CONECT 2923 2917 +CONECT 2924 2918 +CONECT 2925 2918 +CONECT 2926 2919 +CONECT 2927 2919 +CONECT 2928 2920 +CONECT 2929 2930 2933 2934 2935 +CONECT 2930 2929 2931 2936 2937 +CONECT 2931 2930 2932 2938 2939 +CONECT 2932 2931 2940 +CONECT 2933 2929 +CONECT 2934 2929 +CONECT 2935 2929 +CONECT 2936 2930 +CONECT 2937 2930 +CONECT 2938 2931 +CONECT 2939 2931 +CONECT 2940 2932 +CONECT 2941 2942 2945 2946 2947 +CONECT 2942 2941 2943 2948 2949 +CONECT 2943 2942 2944 2950 2951 +CONECT 2944 2943 2952 +CONECT 2945 2941 +CONECT 2946 2941 +CONECT 2947 2941 +CONECT 2948 2942 +CONECT 2949 2942 +CONECT 2950 2943 +CONECT 2951 2943 +CONECT 2952 2944 +CONECT 2953 2954 2957 2958 2959 +CONECT 2954 2953 2955 2960 2961 +CONECT 2955 2954 2956 2962 2963 +CONECT 2956 2955 2964 +CONECT 2957 2953 +CONECT 2958 2953 +CONECT 2959 2953 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2955 +CONECT 2963 2955 +CONECT 2964 2956 +CONECT 2965 2966 2969 2970 2971 +CONECT 2966 2965 2967 2972 2973 +CONECT 2967 2966 2968 2974 2975 +CONECT 2968 2967 2976 +CONECT 2969 2965 +CONECT 2970 2965 +CONECT 2971 2965 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2967 +CONECT 2975 2967 +CONECT 2976 2968 +CONECT 2977 2978 2981 2982 2983 +CONECT 2978 2977 2979 2984 2985 +CONECT 2979 2978 2980 2986 2987 +CONECT 2980 2979 2988 +CONECT 2981 2977 +CONECT 2982 2977 +CONECT 2983 2977 +CONECT 2984 2978 +CONECT 2985 2978 +CONECT 2986 2979 +CONECT 2987 2979 +CONECT 2988 2980 +CONECT 2989 2990 2993 2994 2995 +CONECT 2990 2989 2991 2996 2997 +CONECT 2991 2990 2992 2998 2999 +CONECT 2992 2991 3000 +CONECT 2993 2989 +CONECT 2994 2989 +CONECT 2995 2989 +CONECT 2996 2990 +CONECT 2997 2990 +CONECT 2998 2991 +CONECT 2999 2991 +CONECT 3000 2992 +CONECT 3001 3002 3005 3006 3007 +CONECT 3002 3001 3003 3008 3009 +CONECT 3003 3002 3004 3010 3011 +CONECT 3004 3003 3012 +CONECT 3005 3001 +CONECT 3006 3001 +CONECT 3007 3001 +CONECT 3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_production_simulation_component_0/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_weight_by_mole_fraction_0/1|weight_by_mole_fraction_0_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_weight_by_mole_fraction_0/1|weight_by_mole_fraction_0_output.json new file mode 100644 index 00000000..d1d6367a --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_0/1_weight_by_mole_fraction_0/1|weight_by_mole_fraction_0_output.json @@ -0,0 +1 @@ +{".weighted_value": 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+++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/input.pdb @@ -0,0 +1,772 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 19.650 19.650 19.650 90.00 90.00 90.00 P 1 1 +HETATM 1 O HOH A 1 -8.265 18.605 -3.297 1.00 0.00 O +HETATM 2 H1 HOH A 1 -8.577 18.528 -2.395 1.00 0.00 H +HETATM 3 H2 HOH A 1 -8.023 19.526 -3.390 1.00 0.00 H +HETATM 4 O HOH A 2 21.283 36.762 8.750 1.00 0.00 O +HETATM 5 H1 HOH A 2 20.675 37.482 8.584 1.00 0.00 H +HETATM 6 H2 HOH A 2 22.118 37.192 8.938 1.00 0.00 H +HETATM 7 O HOH A 3 2.294 0.724 28.906 1.00 0.00 O +HETATM 8 H1 HOH A 3 1.784 1.487 29.179 1.00 0.00 H +HETATM 9 H2 HOH A 3 3.139 0.833 29.342 1.00 0.00 H +HETATM 10 O HOH A 4 15.425 14.187 -6.419 1.00 0.00 O +HETATM 11 H1 HOH A 4 14.719 14.283 -5.780 1.00 0.00 H +HETATM 12 H2 HOH A 4 15.946 13.453 -6.092 1.00 0.00 H +HETATM 13 O HOH A 5 5.637 25.238 9.811 1.00 0.00 O +HETATM 14 H1 HOH A 5 5.828 24.910 8.933 1.00 0.00 H +HETATM 15 H2 HOH A 5 6.485 25.245 10.254 1.00 0.00 H +HETATM 16 O HOH A 6 -1.013 5.371 1.657 1.00 0.00 O +HETATM 17 H1 HOH A 6 -1.579 5.003 2.335 1.00 0.00 H +HETATM 18 H2 HOH A 6 -0.969 6.305 1.862 1.00 0.00 H +HETATM 19 O HOH A 7 -11.823 0.812 -6.343 1.00 0.00 O +HETATM 20 H1 HOH A 7 -11.360 0.264 -5.710 1.00 0.00 H +HETATM 21 H2 HOH A 7 -12.685 0.954 -5.952 1.00 0.00 H +HETATM 22 O HOH A 8 18.513 -11.491 21.540 1.00 0.00 O +HETATM 23 H1 HOH A 8 18.868 -11.027 20.783 1.00 0.00 H +HETATM 24 H2 HOH A 8 18.917 -11.063 22.295 1.00 0.00 H +HETATM 25 O HOH A 9 35.346 27.193 27.960 1.00 0.00 O +HETATM 26 H1 HOH A 9 35.108 26.556 28.633 1.00 0.00 H +HETATM 27 H2 HOH A 9 36.290 27.080 27.845 1.00 0.00 H +HETATM 28 O HOH A 10 25.602 -4.332 15.231 1.00 0.00 O +HETATM 29 H1 HOH A 10 25.189 -3.515 15.511 1.00 0.00 H +HETATM 30 H2 HOH A 10 25.937 -4.143 14.354 1.00 0.00 H +HETATM 31 O HOH A 11 13.805 15.885 24.730 1.00 0.00 O +HETATM 32 H1 HOH A 11 12.967 15.470 24.934 1.00 0.00 H +HETATM 33 H2 HOH A 11 13.725 16.773 25.078 1.00 0.00 H +HETATM 34 O HOH A 12 18.961 31.396 -0.844 1.00 0.00 O +HETATM 35 H1 HOH A 12 19.383 30.672 -0.381 1.00 0.00 H +HETATM 36 H2 HOH A 12 18.156 31.558 -0.353 1.00 0.00 H +HETATM 37 O HOH A 13 -1.657 5.948 24.318 1.00 0.00 O +HETATM 38 H1 HOH A 13 -1.232 5.685 25.134 1.00 0.00 H +HETATM 39 H2 HOH A 13 -2.423 5.377 24.252 1.00 0.00 H +HETATM 40 O HOH A 14 28.479 -1.285 -4.622 1.00 0.00 O +HETATM 41 H1 HOH A 14 27.894 -1.802 -4.068 1.00 0.00 H +HETATM 42 H2 HOH A 14 29.283 -1.202 -4.109 1.00 0.00 H +HETATM 43 O HOH A 15 41.650 -10.173 10.867 1.00 0.00 O +HETATM 44 H1 HOH A 15 42.108 -10.771 10.277 1.00 0.00 H +HETATM 45 H2 HOH A 15 40.766 -10.109 10.506 1.00 0.00 H +HETATM 46 O HOH A 16 27.147 0.747 -21.078 1.00 0.00 O +HETATM 47 H1 HOH A 16 26.791 1.396 -20.472 1.00 0.00 H +HETATM 48 H2 HOH A 16 27.924 0.406 -20.635 1.00 0.00 H +HETATM 49 O HOH A 17 6.320 21.577 8.739 1.00 0.00 O +HETATM 50 H1 HOH A 17 6.556 20.651 8.808 1.00 0.00 H +HETATM 51 H2 HOH A 17 5.583 21.682 9.339 1.00 0.00 H +HETATM 52 O HOH A 18 1.692 13.891 0.157 1.00 0.00 O +HETATM 53 H1 HOH A 18 2.236 13.305 -0.370 1.00 0.00 H +HETATM 54 H2 HOH A 18 1.173 14.377 -0.484 1.00 0.00 H +HETATM 55 O HOH A 19 -9.535 6.512 28.265 1.00 0.00 O +HETATM 56 H1 HOH A 19 -8.813 6.916 27.785 1.00 0.00 H +HETATM 57 H2 HOH A 19 -9.144 5.748 28.689 1.00 0.00 H +HETATM 58 O HOH A 20 29.838 11.315 7.338 1.00 0.00 O +HETATM 59 H1 HOH A 20 30.055 10.964 6.474 1.00 0.00 H +HETATM 60 H2 HOH A 20 30.027 12.251 7.271 1.00 0.00 H +HETATM 61 O HOH A 21 18.786 13.932 15.630 1.00 0.00 O +HETATM 62 H1 HOH A 21 19.370 13.317 16.073 1.00 0.00 H +HETATM 63 H2 HOH A 21 17.994 13.425 15.452 1.00 0.00 H +HETATM 64 O HOH A 22 21.466 20.290 14.066 1.00 0.00 O +HETATM 65 H1 HOH A 22 20.806 20.441 13.390 1.00 0.00 H +HETATM 66 H2 HOH A 22 21.111 19.575 14.593 1.00 0.00 H +HETATM 67 O HOH A 23 13.030 -2.468 21.890 1.00 0.00 O +HETATM 68 H1 HOH A 23 12.381 -2.795 21.267 1.00 0.00 H +HETATM 69 H2 HOH A 23 13.044 -3.122 22.588 1.00 0.00 H +HETATM 70 O HOH A 24 0.369 15.624 17.915 1.00 0.00 O +HETATM 71 H1 HOH A 24 0.207 16.374 18.487 1.00 0.00 H +HETATM 72 H2 HOH A 24 0.595 16.012 17.069 1.00 0.00 H +HETATM 73 O HOH A 25 12.365 33.946 12.681 1.00 0.00 O +HETATM 74 H1 HOH A 25 13.189 34.006 12.197 1.00 0.00 H +HETATM 75 H2 HOH A 25 11.904 34.759 12.472 1.00 0.00 H +HETATM 76 O HOH A 26 44.483 48.308 9.376 1.00 0.00 O +HETATM 77 H1 HOH A 26 45.133 48.846 8.922 1.00 0.00 H +HETATM 78 H2 HOH A 26 44.857 47.427 9.374 1.00 0.00 H +HETATM 79 O HOH A 27 24.885 12.352 31.966 1.00 0.00 O +HETATM 80 H1 HOH A 27 24.664 13.212 32.324 1.00 0.00 H +HETATM 81 H2 HOH A 27 24.515 12.357 31.083 1.00 0.00 H +HETATM 82 O HOH A 28 25.773 -5.206 42.587 1.00 0.00 O +HETATM 83 H1 HOH A 28 25.614 -4.333 42.946 1.00 0.00 H +HETATM 84 H2 HOH A 28 26.347 -5.056 41.836 1.00 0.00 H +HETATM 85 O HOH A 29 -2.380 9.332 37.570 1.00 0.00 O +HETATM 86 H1 HOH A 29 -1.604 9.537 38.092 1.00 0.00 H +HETATM 87 H2 HOH A 29 -3.073 9.875 37.946 1.00 0.00 H +HETATM 88 O HOH A 30 30.523 4.410 9.677 1.00 0.00 O +HETATM 89 H1 HOH A 30 29.703 4.143 9.261 1.00 0.00 H +HETATM 90 H2 HOH A 30 30.892 3.597 10.023 1.00 0.00 H +HETATM 91 O HOH A 31 16.900 30.714 25.777 1.00 0.00 O +HETATM 92 H1 HOH A 31 16.737 30.393 26.664 1.00 0.00 H +HETATM 93 H2 HOH A 31 17.853 30.766 25.712 1.00 0.00 H +HETATM 94 O HOH A 32 34.962 18.309 10.334 1.00 0.00 O +HETATM 95 H1 HOH A 32 35.059 17.485 9.858 1.00 0.00 H +HETATM 96 H2 HOH A 32 34.513 18.890 9.720 1.00 0.00 H +HETATM 97 O HOH A 33 -9.420 -0.525 25.212 1.00 0.00 O +HETATM 98 H1 HOH A 33 -8.931 -0.435 24.394 1.00 0.00 H +HETATM 99 H2 HOH A 33 -9.875 -1.363 25.130 1.00 0.00 H +HETATM 100 O HOH A 34 6.899 -0.021 10.765 1.00 0.00 O +HETATM 101 H1 HOH A 34 7.380 0.256 11.545 1.00 0.00 H +HETATM 102 H2 HOH A 34 6.659 -0.930 10.941 1.00 0.00 H +HETATM 103 O HOH A 35 16.614 11.828 -6.132 1.00 0.00 O +HETATM 104 H1 HOH A 35 17.508 11.488 -6.084 1.00 0.00 H +HETATM 105 H2 HOH A 35 16.092 11.201 -5.632 1.00 0.00 H +HETATM 106 O HOH A 36 29.111 10.244 -3.933 1.00 0.00 O +HETATM 107 H1 HOH A 36 28.195 10.515 -4.004 1.00 0.00 H +HETATM 108 H2 HOH A 36 29.525 10.591 -4.724 1.00 0.00 H +HETATM 109 O HOH A 37 29.327 2.220 -27.640 1.00 0.00 O +HETATM 110 H1 HOH A 37 29.105 1.966 -28.535 1.00 0.00 H +HETATM 111 H2 HOH A 37 28.686 1.764 -27.095 1.00 0.00 H +HETATM 112 O HOH A 38 11.352 15.539 19.587 1.00 0.00 O +HETATM 113 H1 HOH A 38 11.391 15.783 18.663 1.00 0.00 H +HETATM 114 H2 HOH A 38 11.501 14.594 19.593 1.00 0.00 H +HETATM 115 O HOH A 39 32.823 23.680 12.669 1.00 0.00 O +HETATM 116 H1 HOH A 39 33.090 24.424 13.209 1.00 0.00 H +HETATM 117 H2 HOH A 39 33.180 22.915 13.121 1.00 0.00 H +HETATM 118 O HOH A 40 5.474 15.593 37.895 1.00 0.00 O +HETATM 119 H1 HOH A 40 5.902 14.927 38.432 1.00 0.00 H +HETATM 120 H2 HOH A 40 5.089 15.104 37.168 1.00 0.00 H +HETATM 121 O HOH A 41 7.138 17.507 36.478 1.00 0.00 O +HETATM 122 H1 HOH A 41 6.987 18.281 37.021 1.00 0.00 H +HETATM 123 H2 HOH A 41 6.712 16.794 36.953 1.00 0.00 H +HETATM 124 O HOH A 42 20.044 48.771 19.398 1.00 0.00 O +HETATM 125 H1 HOH A 42 20.857 48.477 19.810 1.00 0.00 H +HETATM 126 H2 HOH A 42 20.181 48.621 18.463 1.00 0.00 H +HETATM 127 O HOH A 43 4.147 18.684 14.035 1.00 0.00 O +HETATM 128 H1 HOH A 43 4.569 18.372 13.234 1.00 0.00 H +HETATM 129 H2 HOH A 43 3.312 19.046 13.740 1.00 0.00 H +HETATM 130 O HOH A 44 21.771 19.806 6.801 1.00 0.00 O +HETATM 131 H1 HOH A 44 21.997 20.167 7.658 1.00 0.00 H +HETATM 132 H2 HOH A 44 22.502 20.056 6.236 1.00 0.00 H +HETATM 133 O HOH A 45 22.400 -5.216 30.021 1.00 0.00 O +HETATM 134 H1 HOH A 45 22.787 -6.091 30.053 1.00 0.00 H +HETATM 135 H2 HOH A 45 22.215 -5.070 29.093 1.00 0.00 H +HETATM 136 O HOH A 46 -1.504 -0.712 21.830 1.00 0.00 O +HETATM 137 H1 HOH A 46 -2.073 -1.087 22.502 1.00 0.00 H +HETATM 138 H2 HOH A 46 -2.076 -0.133 21.327 1.00 0.00 H +HETATM 139 O HOH A 47 -6.610 -12.565 18.695 1.00 0.00 O +HETATM 140 H1 HOH A 47 -7.042 -13.091 18.022 1.00 0.00 H +HETATM 141 H2 HOH A 47 -6.937 -11.677 18.552 1.00 0.00 H +HETATM 142 O HOH A 48 36.619 20.763 10.995 1.00 0.00 O +HETATM 143 H1 HOH A 48 36.489 21.636 10.626 1.00 0.00 H +HETATM 144 H2 HOH A 48 37.305 20.373 10.453 1.00 0.00 H +HETATM 145 O HOH A 49 29.741 17.954 8.262 1.00 0.00 O +HETATM 146 H1 HOH A 49 29.739 18.798 7.810 1.00 0.00 H +HETATM 147 H2 HOH A 49 30.647 17.652 8.205 1.00 0.00 H +HETATM 148 O HOH A 50 20.535 15.986 -7.223 1.00 0.00 O +HETATM 149 H1 HOH A 50 21.292 16.028 -7.808 1.00 0.00 H +HETATM 150 H2 HOH A 50 20.133 15.139 -7.411 1.00 0.00 H +HETATM 151 O HOH A 51 -5.402 -9.053 21.400 1.00 0.00 O +HETATM 152 H1 HOH A 51 -5.326 -8.571 22.223 1.00 0.00 H +HETATM 153 H2 HOH A 51 -6.015 -9.763 21.594 1.00 0.00 H +HETATM 154 O HOH A 52 33.204 10.569 -11.249 1.00 0.00 O +HETATM 155 H1 HOH A 52 32.622 10.195 -10.587 1.00 0.00 H +HETATM 156 H2 HOH A 52 32.616 11.005 -11.866 1.00 0.00 H +HETATM 157 O HOH A 53 5.614 32.728 16.616 1.00 0.00 O +HETATM 158 H1 HOH A 53 5.751 33.466 16.022 1.00 0.00 H +HETATM 159 H2 HOH A 53 4.688 32.777 16.850 1.00 0.00 H +HETATM 160 O HOH A 54 -8.048 9.468 1.425 1.00 0.00 O +HETATM 161 H1 HOH A 54 -8.654 9.945 1.992 1.00 0.00 H +HETATM 162 H2 HOH A 54 -8.547 9.302 0.626 1.00 0.00 H +HETATM 163 O HOH A 55 13.771 18.344 12.664 1.00 0.00 O +HETATM 164 H1 HOH A 55 14.012 18.138 11.761 1.00 0.00 H +HETATM 165 H2 HOH A 55 14.379 17.831 13.198 1.00 0.00 H +HETATM 166 O HOH A 56 13.288 33.783 41.835 1.00 0.00 O +HETATM 167 H1 HOH A 56 14.195 33.511 41.696 1.00 0.00 H +HETATM 168 H2 HOH A 56 13.007 34.126 40.987 1.00 0.00 H +HETATM 169 O HOH A 57 -4.240 20.058 -3.279 1.00 0.00 O +HETATM 170 H1 HOH A 57 -3.291 19.954 -3.204 1.00 0.00 H +HETATM 171 H2 HOH A 57 -4.601 19.287 -2.842 1.00 0.00 H +HETATM 172 O HOH A 58 1.369 13.437 25.324 1.00 0.00 O +HETATM 173 H1 HOH A 58 1.990 13.446 24.596 1.00 0.00 H +HETATM 174 H2 HOH A 58 0.526 13.648 24.923 1.00 0.00 H +HETATM 175 O HOH A 59 24.538 -8.068 20.971 1.00 0.00 O +HETATM 176 H1 HOH A 59 25.029 -8.151 21.789 1.00 0.00 H +HETATM 177 H2 HOH A 59 25.176 -8.267 20.286 1.00 0.00 H +HETATM 178 O HOH A 60 6.162 0.722 35.338 1.00 0.00 O +HETATM 179 H1 HOH A 60 6.603 0.743 36.188 1.00 0.00 H +HETATM 180 H2 HOH A 60 5.932 -0.198 35.210 1.00 0.00 H +HETATM 181 O HOH A 61 3.263 17.494 0.475 1.00 0.00 O +HETATM 182 H1 HOH A 61 3.655 16.863 -0.129 1.00 0.00 H +HETATM 183 H2 HOH A 61 3.160 17.010 1.294 1.00 0.00 H +HETATM 184 O HOH A 62 18.900 8.622 11.340 1.00 0.00 O +HETATM 185 H1 HOH A 62 18.874 8.233 12.214 1.00 0.00 H +HETATM 186 H2 HOH A 62 18.600 9.522 11.469 1.00 0.00 H +HETATM 187 O HOH A 63 18.020 -4.410 7.340 1.00 0.00 O +HETATM 188 H1 HOH A 63 18.571 -3.683 7.053 1.00 0.00 H +HETATM 189 H2 HOH A 63 18.594 -4.946 7.887 1.00 0.00 H +HETATM 190 O HOH A 64 20.333 0.847 21.969 1.00 0.00 O +HETATM 191 H1 HOH A 64 19.539 0.407 21.665 1.00 0.00 H +HETATM 192 H2 HOH A 64 20.014 1.600 22.467 1.00 0.00 H +HETATM 193 O HOH A 65 14.200 2.838 -2.525 1.00 0.00 O +HETATM 194 H1 HOH A 65 13.310 2.547 -2.723 1.00 0.00 H +HETATM 195 H2 HOH A 65 14.763 2.172 -2.918 1.00 0.00 H +HETATM 196 O HOH A 66 27.302 7.457 28.011 1.00 0.00 O +HETATM 197 H1 HOH A 66 27.443 8.387 27.835 1.00 0.00 H +HETATM 198 H2 HOH A 66 28.180 7.076 28.005 1.00 0.00 H +HETATM 199 O HOH A 67 -17.042 9.876 17.273 1.00 0.00 O +HETATM 200 H1 HOH A 67 -16.122 10.093 17.424 1.00 0.00 H +HETATM 201 H2 HOH A 67 -17.062 8.919 17.251 1.00 0.00 H +HETATM 202 O HOH A 68 12.065 8.657 11.340 1.00 0.00 O +HETATM 203 H1 HOH A 68 11.518 9.225 10.796 1.00 0.00 H +HETATM 204 H2 HOH A 68 11.452 8.030 11.724 1.00 0.00 H +HETATM 205 O HOH A 69 9.057 -4.127 21.621 1.00 0.00 O +HETATM 206 H1 HOH A 69 9.031 -4.264 20.674 1.00 0.00 H +HETATM 207 H2 HOH A 69 8.873 -3.195 21.734 1.00 0.00 H +HETATM 208 O HOH A 70 17.346 31.068 21.292 1.00 0.00 O +HETATM 209 H1 HOH A 70 16.592 30.560 21.590 1.00 0.00 H +HETATM 210 H2 HOH A 70 18.045 30.845 21.907 1.00 0.00 H +HETATM 211 O HOH A 71 27.648 5.952 21.836 1.00 0.00 O +HETATM 212 H1 HOH A 71 27.383 6.728 22.330 1.00 0.00 H +HETATM 213 H2 HOH A 71 28.550 6.132 21.572 1.00 0.00 H +HETATM 214 O HOH A 72 15.836 -11.492 21.867 1.00 0.00 O +HETATM 215 H1 HOH A 72 15.822 -11.668 20.926 1.00 0.00 H +HETATM 216 H2 HOH A 72 16.766 -11.431 22.086 1.00 0.00 H +HETATM 217 O HOH A 73 18.837 -11.024 24.626 1.00 0.00 O +HETATM 218 H1 HOH A 73 18.464 -11.905 24.658 1.00 0.00 H +HETATM 219 H2 HOH A 73 19.186 -10.879 25.506 1.00 0.00 H +HETATM 220 O HOH A 74 23.320 25.421 -18.021 1.00 0.00 O +HETATM 221 H1 HOH A 74 23.834 25.849 -18.706 1.00 0.00 H +HETATM 222 H2 HOH A 74 22.504 25.172 -18.455 1.00 0.00 H +HETATM 223 O HOH A 75 28.670 22.274 8.881 1.00 0.00 O +HETATM 224 H1 HOH A 75 29.061 22.260 8.007 1.00 0.00 H +HETATM 225 H2 HOH A 75 27.739 22.112 8.730 1.00 0.00 H +HETATM 226 O HOH A 76 -3.963 12.979 -1.755 1.00 0.00 O +HETATM 227 H1 HOH A 76 -4.174 12.104 -1.429 1.00 0.00 H +HETATM 228 H2 HOH A 76 -3.224 13.264 -1.218 1.00 0.00 H +HETATM 229 O HOH A 77 12.019 10.866 -2.072 1.00 0.00 O +HETATM 230 H1 HOH A 77 11.727 10.901 -2.983 1.00 0.00 H +HETATM 231 H2 HOH A 77 11.429 10.237 -1.655 1.00 0.00 H +HETATM 232 O HOH A 78 19.968 6.257 16.359 1.00 0.00 O +HETATM 233 H1 HOH A 78 20.741 5.695 16.402 1.00 0.00 H +HETATM 234 H2 HOH A 78 19.508 6.097 17.183 1.00 0.00 H +HETATM 235 O HOH A 79 18.730 33.301 4.287 1.00 0.00 O +HETATM 236 H1 HOH A 79 18.551 32.376 4.116 1.00 0.00 H +HETATM 237 H2 HOH A 79 17.944 33.757 3.986 1.00 0.00 H +HETATM 238 O HOH A 80 13.179 42.021 26.922 1.00 0.00 O +HETATM 239 H1 HOH A 80 13.444 42.754 27.478 1.00 0.00 H +HETATM 240 H2 HOH A 80 13.266 41.251 27.483 1.00 0.00 H +HETATM 241 O HOH A 81 18.500 1.181 -2.142 1.00 0.00 O +HETATM 242 H1 HOH A 81 19.175 0.562 -1.865 1.00 0.00 H +HETATM 243 H2 HOH A 81 18.232 1.621 -1.335 1.00 0.00 H +HETATM 244 O HOH A 82 22.318 -14.995 15.898 1.00 0.00 O +HETATM 245 H1 HOH A 82 22.128 -14.847 14.972 1.00 0.00 H +HETATM 246 H2 HOH A 82 22.758 -15.845 15.920 1.00 0.00 H +HETATM 247 O HOH A 83 35.384 16.743 1.918 1.00 0.00 O +HETATM 248 H1 HOH A 83 35.800 16.302 2.659 1.00 0.00 H +HETATM 249 H2 HOH A 83 34.485 16.901 2.207 1.00 0.00 H +HETATM 250 O HOH A 84 -7.305 26.665 22.226 1.00 0.00 O +HETATM 251 H1 HOH A 84 -6.844 26.936 23.020 1.00 0.00 H +HETATM 252 H2 HOH A 84 -7.618 27.482 21.839 1.00 0.00 H +HETATM 253 O HOH A 85 3.467 -3.010 35.423 1.00 0.00 O +HETATM 254 H1 HOH A 85 3.790 -2.149 35.158 1.00 0.00 H +HETATM 255 H2 HOH A 85 2.543 -3.006 35.175 1.00 0.00 H +HETATM 256 O HOH A 86 15.472 -6.118 6.458 1.00 0.00 O +HETATM 257 H1 HOH A 86 15.740 -7.032 6.359 1.00 0.00 H +HETATM 258 H2 HOH A 86 16.244 -5.612 6.205 1.00 0.00 H +HETATM 259 O HOH A 87 5.511 8.323 1.196 1.00 0.00 O +HETATM 260 H1 HOH A 87 5.323 8.454 2.126 1.00 0.00 H +HETATM 261 H2 HOH A 87 6.344 8.773 1.054 1.00 0.00 H +HETATM 262 O HOH A 88 -0.757 10.908 23.348 1.00 0.00 O +HETATM 263 H1 HOH A 88 0.200 10.892 23.371 1.00 0.00 H +HETATM 264 H2 HOH A 88 -1.019 10.054 23.691 1.00 0.00 H +HETATM 265 O HOH A 89 25.808 27.168 3.866 1.00 0.00 O +HETATM 266 H1 HOH A 89 24.985 26.696 3.993 1.00 0.00 H +HETATM 267 H2 HOH A 89 26.187 27.229 4.742 1.00 0.00 H +HETATM 268 O HOH A 90 22.605 -0.532 22.435 1.00 0.00 O +HETATM 269 H1 HOH A 90 22.789 -0.759 21.523 1.00 0.00 H +HETATM 270 H2 HOH A 90 21.785 -0.039 22.398 1.00 0.00 H +HETATM 271 O HOH A 91 34.774 0.732 22.163 1.00 0.00 O +HETATM 272 H1 HOH A 91 35.100 0.311 22.958 1.00 0.00 H +HETATM 273 H2 HOH A 91 34.090 1.327 22.470 1.00 0.00 H +HETATM 274 O HOH A 92 3.486 26.751 4.175 1.00 0.00 O +HETATM 275 H1 HOH A 92 3.159 26.612 3.286 1.00 0.00 H +HETATM 276 H2 HOH A 92 2.915 26.216 4.727 1.00 0.00 H +HETATM 277 O HOH A 93 23.762 -19.345 5.046 1.00 0.00 O +HETATM 278 H1 HOH A 93 23.555 -19.560 4.136 1.00 0.00 H +HETATM 279 H2 HOH A 93 24.718 -19.323 5.076 1.00 0.00 H +HETATM 280 O HOH A 94 14.014 8.160 4.305 1.00 0.00 O +HETATM 281 H1 HOH A 94 14.506 7.660 4.957 1.00 0.00 H +HETATM 282 H2 HOH A 94 14.561 8.136 3.521 1.00 0.00 H +HETATM 283 O HOH A 95 -1.280 27.041 7.961 1.00 0.00 O +HETATM 284 H1 HOH A 95 -0.990 26.139 8.091 1.00 0.00 H +HETATM 285 H2 HOH A 95 -0.535 27.575 8.237 1.00 0.00 H +HETATM 286 O HOH A 96 -0.337 -0.174 9.826 1.00 0.00 O +HETATM 287 H1 HOH A 96 -0.172 -0.445 10.729 1.00 0.00 H +HETATM 288 H2 HOH A 96 0.473 0.258 9.553 1.00 0.00 H +HETATM 289 O HOH A 97 -13.392 17.058 23.852 1.00 0.00 O +HETATM 290 H1 HOH A 97 -13.119 17.739 23.237 1.00 0.00 H +HETATM 291 H2 HOH A 97 -13.548 17.525 24.673 1.00 0.00 H +HETATM 292 O HOH A 98 29.840 48.118 38.309 1.00 0.00 O +HETATM 293 H1 HOH A 98 29.687 47.218 38.598 1.00 0.00 H +HETATM 294 H2 HOH A 98 29.045 48.356 37.833 1.00 0.00 H +HETATM 295 O HOH A 99 9.079 -2.959 24.707 1.00 0.00 O +HETATM 296 H1 HOH A 99 8.984 -3.744 25.246 1.00 0.00 H +HETATM 297 H2 HOH A 99 8.291 -2.944 24.164 1.00 0.00 H +HETATM 298 O HOH A 100 10.948 -12.012 15.899 1.00 0.00 O +HETATM 299 H1 HOH A 100 10.264 -11.437 16.239 1.00 0.00 H +HETATM 300 H2 HOH A 100 10.785 -12.855 16.321 1.00 0.00 H +HETATM 301 O HOH A 101 30.346 -15.113 13.074 1.00 0.00 O +HETATM 302 H1 HOH A 101 30.085 -15.818 12.481 1.00 0.00 H +HETATM 303 H2 HOH A 101 31.293 -15.220 13.171 1.00 0.00 H +HETATM 304 O HOH A 102 11.954 -6.777 39.279 1.00 0.00 O +HETATM 305 H1 HOH A 102 12.669 -7.069 39.845 1.00 0.00 H +HETATM 306 H2 HOH A 102 12.009 -7.345 38.511 1.00 0.00 H +HETATM 307 O HOH A 103 17.569 -3.171 16.056 1.00 0.00 O +HETATM 308 H1 HOH A 103 16.727 -3.395 16.452 1.00 0.00 H +HETATM 309 H2 HOH A 103 17.940 -4.012 15.789 1.00 0.00 H +HETATM 310 O HOH A 104 8.768 -5.949 16.271 1.00 0.00 O +HETATM 311 H1 HOH A 104 8.372 -6.671 15.783 1.00 0.00 H +HETATM 312 H2 HOH A 104 8.058 -5.317 16.382 1.00 0.00 H +HETATM 313 O HOH A 105 18.291 -14.754 11.073 1.00 0.00 O +HETATM 314 H1 HOH A 105 18.527 -15.406 11.733 1.00 0.00 H +HETATM 315 H2 HOH A 105 19.069 -14.203 10.991 1.00 0.00 H +HETATM 316 O HOH A 106 -0.692 7.857 14.091 1.00 0.00 O +HETATM 317 H1 HOH A 106 -1.439 8.138 14.620 1.00 0.00 H +HETATM 318 H2 HOH A 106 -0.100 7.438 14.715 1.00 0.00 H +HETATM 319 O HOH A 107 21.126 24.411 0.479 1.00 0.00 O +HETATM 320 H1 HOH A 107 20.406 24.275 1.095 1.00 0.00 H +HETATM 321 H2 HOH A 107 20.722 24.842 -0.273 1.00 0.00 H +HETATM 322 O HOH A 108 38.868 -2.533 20.243 1.00 0.00 O +HETATM 323 H1 HOH A 108 39.091 -3.268 20.814 1.00 0.00 H +HETATM 324 H2 HOH A 108 38.465 -1.890 20.826 1.00 0.00 H +HETATM 325 O HOH A 109 19.667 33.134 11.722 1.00 0.00 O +HETATM 326 H1 HOH A 109 20.540 32.753 11.817 1.00 0.00 H +HETATM 327 H2 HOH A 109 19.093 32.383 11.571 1.00 0.00 H +HETATM 328 O HOH A 110 2.297 -7.665 12.503 1.00 0.00 O +HETATM 329 H1 HOH A 110 2.262 -8.426 11.924 1.00 0.00 H +HETATM 330 H2 HOH A 110 2.938 -7.903 13.173 1.00 0.00 H +HETATM 331 O HOH A 111 32.163 24.940 16.794 1.00 0.00 O +HETATM 332 H1 HOH A 111 32.607 25.250 16.005 1.00 0.00 H +HETATM 333 H2 HOH A 111 32.798 24.360 17.215 1.00 0.00 H +HETATM 334 O HOH A 112 -2.351 12.044 -8.730 1.00 0.00 O +HETATM 335 H1 HOH A 112 -2.906 11.509 -9.298 1.00 0.00 H +HETATM 336 H2 HOH A 112 -2.840 12.111 -7.910 1.00 0.00 H +HETATM 337 O HOH A 113 26.862 7.993 -4.541 1.00 0.00 O +HETATM 338 H1 HOH A 113 25.995 7.864 -4.926 1.00 0.00 H +HETATM 339 H2 HOH A 113 27.090 7.140 -4.172 1.00 0.00 H +HETATM 340 O HOH A 114 2.839 9.359 20.892 1.00 0.00 O +HETATM 341 H1 HOH A 114 2.811 10.310 20.786 1.00 0.00 H +HETATM 342 H2 HOH A 114 3.719 9.112 20.608 1.00 0.00 H +HETATM 343 O HOH A 115 15.998 -15.981 9.457 1.00 0.00 O +HETATM 344 H1 HOH A 115 16.478 -15.183 9.678 1.00 0.00 H +HETATM 345 H2 HOH A 115 15.076 -15.725 9.498 1.00 0.00 H +HETATM 346 O HOH A 116 12.689 16.850 27.909 1.00 0.00 O +HETATM 347 H1 HOH A 116 13.064 16.000 28.138 1.00 0.00 H +HETATM 348 H2 HOH A 116 13.207 17.147 27.160 1.00 0.00 H +HETATM 349 O HOH A 117 24.652 42.074 38.244 1.00 0.00 O +HETATM 350 H1 HOH A 117 23.954 42.287 38.864 1.00 0.00 H +HETATM 351 H2 HOH A 117 24.195 41.727 37.478 1.00 0.00 H +HETATM 352 O HOH A 118 -25.289 13.580 -4.019 1.00 0.00 O +HETATM 353 H1 HOH A 118 -26.189 13.797 -3.777 1.00 0.00 H +HETATM 354 H2 HOH A 118 -24.765 13.858 -3.268 1.00 0.00 H +HETATM 355 O HOH A 119 -2.679 5.311 34.204 1.00 0.00 O +HETATM 356 H1 HOH A 119 -1.829 5.752 34.215 1.00 0.00 H +HETATM 357 H2 HOH A 119 -2.501 4.440 34.559 1.00 0.00 H +HETATM 358 O HOH A 120 13.611 14.169 8.075 1.00 0.00 O +HETATM 359 H1 HOH A 120 13.871 13.834 8.933 1.00 0.00 H +HETATM 360 H2 HOH A 120 14.290 13.854 7.478 1.00 0.00 H +HETATM 361 O HOH A 121 27.168 -1.624 7.398 1.00 0.00 O +HETATM 362 H1 HOH A 121 27.879 -1.493 8.025 1.00 0.00 H +HETATM 363 H2 HOH A 121 26.923 -2.544 7.501 1.00 0.00 H +HETATM 364 O HOH A 122 38.235 5.261 -1.132 1.00 0.00 O +HETATM 365 H1 HOH A 122 37.424 4.804 -1.355 1.00 0.00 H +HETATM 366 H2 HOH A 122 38.224 5.319 -0.177 1.00 0.00 H +HETATM 367 O HOH A 123 12.000 -3.704 17.146 1.00 0.00 O +HETATM 368 H1 HOH A 123 11.668 -4.370 16.545 1.00 0.00 H +HETATM 369 H2 HOH A 123 11.791 -2.872 16.722 1.00 0.00 H +HETATM 370 O HOH A 124 10.307 -13.595 0.008 1.00 0.00 O +HETATM 371 H1 HOH A 124 11.202 -13.399 0.285 1.00 0.00 H +HETATM 372 H2 HOH A 124 10.262 -14.552 0.005 1.00 0.00 H +HETATM 373 O HOH A 125 20.453 9.199 27.890 1.00 0.00 O +HETATM 374 H1 HOH A 125 20.019 9.983 27.554 1.00 0.00 H +HETATM 375 H2 HOH A 125 21.225 9.095 27.334 1.00 0.00 H +HETATM 376 O HOH A 126 16.911 -18.423 0.379 1.00 0.00 O +HETATM 377 H1 HOH A 126 16.140 -18.747 0.845 1.00 0.00 H +HETATM 378 H2 HOH A 126 16.646 -17.567 0.042 1.00 0.00 H +HETATM 379 O HOH A 127 3.748 14.381 33.020 1.00 0.00 O +HETATM 380 H1 HOH A 127 3.504 14.784 33.854 1.00 0.00 H +HETATM 381 H2 HOH A 127 2.913 14.151 32.612 1.00 0.00 H +HETATM 382 O HOH A 128 33.331 -28.239 14.624 1.00 0.00 O +HETATM 383 H1 HOH A 128 33.377 -28.163 13.671 1.00 0.00 H +HETATM 384 H2 HOH A 128 33.286 -27.334 14.934 1.00 0.00 H +HETATM 385 O HOH A 129 20.514 5.102 7.756 1.00 0.00 O +HETATM 386 H1 HOH A 129 21.177 5.458 8.348 1.00 0.00 H +HETATM 387 H2 HOH A 129 20.915 5.153 6.889 1.00 0.00 H +HETATM 388 O HOH A 130 -33.289 4.201 26.643 1.00 0.00 O +HETATM 389 H1 HOH A 130 -33.122 3.519 27.294 1.00 0.00 H +HETATM 390 H2 HOH A 130 -32.542 4.152 26.047 1.00 0.00 H +HETATM 391 O HOH A 131 -5.549 1.701 13.457 1.00 0.00 O +HETATM 392 H1 HOH A 131 -5.069 1.482 14.256 1.00 0.00 H +HETATM 393 H2 HOH A 131 -5.768 0.854 13.068 1.00 0.00 H +HETATM 394 O HOH A 132 -0.171 11.347 26.531 1.00 0.00 O +HETATM 395 H1 HOH A 132 0.580 11.807 26.156 1.00 0.00 H +HETATM 396 H2 HOH A 132 -0.513 11.947 27.194 1.00 0.00 H +HETATM 397 O HOH A 133 12.603 3.039 21.909 1.00 0.00 O +HETATM 398 H1 HOH A 133 13.404 3.469 22.208 1.00 0.00 H +HETATM 399 H2 HOH A 133 11.895 3.580 22.260 1.00 0.00 H +HETATM 400 O HOH A 134 17.239 -18.496 27.414 1.00 0.00 O +HETATM 401 H1 HOH A 134 17.563 -19.283 27.851 1.00 0.00 H +HETATM 402 H2 HOH A 134 18.001 -17.919 27.364 1.00 0.00 H +HETATM 403 O HOH A 135 23.801 8.075 14.981 1.00 0.00 O +HETATM 404 H1 HOH A 135 23.385 7.621 14.247 1.00 0.00 H +HETATM 405 H2 HOH A 135 24.147 8.881 14.599 1.00 0.00 H +HETATM 406 O HOH A 136 14.234 -1.165 6.517 1.00 0.00 O +HETATM 407 H1 HOH A 136 14.097 -0.821 7.399 1.00 0.00 H +HETATM 408 H2 HOH A 136 14.653 -0.448 6.042 1.00 0.00 H +HETATM 409 O HOH A 137 22.535 26.683 17.554 1.00 0.00 O +HETATM 410 H1 HOH A 137 22.504 25.956 16.932 1.00 0.00 H +HETATM 411 H2 HOH A 137 23.226 26.442 18.171 1.00 0.00 H +HETATM 412 O HOH A 138 6.214 3.260 31.479 1.00 0.00 O +HETATM 413 H1 HOH A 138 6.778 2.782 32.087 1.00 0.00 H +HETATM 414 H2 HOH A 138 6.821 3.723 30.902 1.00 0.00 H +HETATM 415 O HOH A 139 17.685 -5.276 19.225 1.00 0.00 O +HETATM 416 H1 HOH A 139 18.430 -5.304 18.624 1.00 0.00 H +HETATM 417 H2 HOH A 139 17.187 -4.505 18.954 1.00 0.00 H +HETATM 418 O HOH A 140 -26.561 -12.136 27.990 1.00 0.00 O +HETATM 419 H1 HOH A 140 -25.838 -11.670 27.571 1.00 0.00 H +HETATM 420 H2 HOH A 140 -26.302 -12.204 28.909 1.00 0.00 H +HETATM 421 O HOH A 141 5.889 4.285 2.908 1.00 0.00 O +HETATM 422 H1 HOH A 141 6.707 4.725 2.676 1.00 0.00 H +HETATM 423 H2 HOH A 141 5.219 4.739 2.397 1.00 0.00 H +HETATM 424 O HOH A 142 28.608 -17.877 43.126 1.00 0.00 O +HETATM 425 H1 HOH A 142 29.455 -17.992 43.557 1.00 0.00 H +HETATM 426 H2 HOH A 142 28.789 -18.020 42.197 1.00 0.00 H +HETATM 427 O HOH A 143 24.137 29.536 4.057 1.00 0.00 O +HETATM 428 H1 HOH A 143 24.892 29.765 4.600 1.00 0.00 H +HETATM 429 H2 HOH A 143 24.173 28.582 3.987 1.00 0.00 H +HETATM 430 O HOH A 144 -9.125 -17.698 6.456 1.00 0.00 O +HETATM 431 H1 HOH A 144 -9.374 -18.594 6.230 1.00 0.00 H +HETATM 432 H2 HOH A 144 -8.175 -17.734 6.568 1.00 0.00 H +HETATM 433 O HOH A 145 0.373 -1.284 35.176 1.00 0.00 O +HETATM 434 H1 HOH A 145 0.660 -0.883 35.996 1.00 0.00 H +HETATM 435 H2 HOH A 145 -0.504 -1.617 35.364 1.00 0.00 H +HETATM 436 O HOH A 146 7.036 -8.171 -24.222 1.00 0.00 O +HETATM 437 H1 HOH A 146 6.560 -8.864 -24.680 1.00 0.00 H +HETATM 438 H2 HOH A 146 6.377 -7.755 -23.665 1.00 0.00 H +HETATM 439 O HOH A 147 16.225 16.701 19.052 1.00 0.00 O +HETATM 440 H1 HOH A 147 16.732 17.493 18.874 1.00 0.00 H +HETATM 441 H2 HOH A 147 16.171 16.659 20.007 1.00 0.00 H +HETATM 442 O HOH A 148 20.368 11.929 36.121 1.00 0.00 O +HETATM 443 H1 HOH A 148 21.046 11.259 36.213 1.00 0.00 H +HETATM 444 H2 HOH A 148 19.782 11.781 36.863 1.00 0.00 H +HETATM 445 O HOH A 149 11.946 32.885 4.808 1.00 0.00 O +HETATM 446 H1 HOH A 149 11.091 33.037 4.405 1.00 0.00 H +HETATM 447 H2 HOH A 149 12.575 33.063 4.109 1.00 0.00 H +HETATM 448 O HOH A 150 15.919 33.233 21.139 1.00 0.00 O +HETATM 449 H1 HOH A 150 16.297 32.419 21.470 1.00 0.00 H +HETATM 450 H2 HOH A 150 16.359 33.379 20.302 1.00 0.00 H +HETATM 451 O HOH A 151 24.187 26.438 12.268 1.00 0.00 O +HETATM 452 H1 HOH A 151 24.608 26.009 11.523 1.00 0.00 H +HETATM 453 H2 HOH A 151 24.458 27.354 12.202 1.00 0.00 H +HETATM 454 O HOH A 152 20.986 2.934 10.446 1.00 0.00 O +HETATM 455 H1 HOH A 152 21.418 3.766 10.252 1.00 0.00 H +HETATM 456 H2 HOH A 152 20.358 3.145 11.137 1.00 0.00 H +HETATM 457 O HOH A 153 34.340 30.226 18.678 1.00 0.00 O +HETATM 458 H1 HOH A 153 34.129 30.242 19.611 1.00 0.00 H +HETATM 459 H2 HOH A 153 33.493 30.290 18.238 1.00 0.00 H +HETATM 460 O HOH A 154 6.417 33.260 39.230 1.00 0.00 O +HETATM 461 H1 HOH A 154 7.243 32.795 39.094 1.00 0.00 H +HETATM 462 H2 HOH A 154 5.858 32.629 39.683 1.00 0.00 H +HETATM 463 O HOH A 155 10.191 -0.490 -0.528 1.00 0.00 O +HETATM 464 H1 HOH A 155 11.119 -0.461 -0.295 1.00 0.00 H +HETATM 465 H2 HOH A 155 9.732 -0.320 0.295 1.00 0.00 H +HETATM 466 O HOH A 156 -8.016 4.511 24.825 1.00 0.00 O +HETATM 467 H1 HOH A 156 -7.669 3.619 24.834 1.00 0.00 H +HETATM 468 H2 HOH A 156 -7.304 5.049 25.170 1.00 0.00 H +HETATM 469 O HOH A 157 10.141 7.390 13.093 1.00 0.00 O +HETATM 470 H1 HOH A 157 10.237 6.440 13.155 1.00 0.00 H +HETATM 471 H2 HOH A 157 10.246 7.701 13.992 1.00 0.00 H +HETATM 472 O HOH A 158 20.749 -4.263 15.103 1.00 0.00 O +HETATM 473 H1 HOH A 158 20.622 -3.915 14.220 1.00 0.00 H +HETATM 474 H2 HOH A 158 20.028 -4.881 15.223 1.00 0.00 H +HETATM 475 O HOH A 159 16.589 8.549 35.026 1.00 0.00 O +HETATM 476 H1 HOH A 159 15.642 8.561 34.889 1.00 0.00 H +HETATM 477 H2 HOH A 159 16.707 8.887 35.914 1.00 0.00 H +HETATM 478 O HOH A 160 -11.577 5.328 -8.323 1.00 0.00 O +HETATM 479 H1 HOH A 160 -11.464 5.941 -7.598 1.00 0.00 H +HETATM 480 H2 HOH A 160 -10.721 5.300 -8.750 1.00 0.00 H +HETATM 481 O HOH A 161 23.420 11.817 29.612 1.00 0.00 O +HETATM 482 H1 HOH A 161 23.176 10.985 30.016 1.00 0.00 H +HETATM 483 H2 HOH A 161 23.766 11.574 28.753 1.00 0.00 H +HETATM 484 O HOH A 162 27.835 31.382 11.940 1.00 0.00 O +HETATM 485 H1 HOH A 162 26.927 31.509 12.215 1.00 0.00 H +HETATM 486 H2 HOH A 162 27.899 31.841 11.102 1.00 0.00 H +HETATM 487 O HOH A 163 20.616 -13.193 30.445 1.00 0.00 O +HETATM 488 H1 HOH A 163 21.250 -12.779 29.859 1.00 0.00 H +HETATM 489 H2 HOH A 163 20.079 -12.469 30.767 1.00 0.00 H +HETATM 490 O HOH A 164 -11.655 -3.385 13.046 1.00 0.00 O +HETATM 491 H1 HOH A 164 -11.149 -2.608 13.282 1.00 0.00 H +HETATM 492 H2 HOH A 164 -11.115 -3.835 12.397 1.00 0.00 H +HETATM 493 O HOH A 165 14.604 44.597 22.168 1.00 0.00 O +HETATM 494 H1 HOH A 165 13.813 45.120 22.298 1.00 0.00 H +HETATM 495 H2 HOH A 165 15.131 45.108 21.554 1.00 0.00 H +HETATM 496 O HOH A 166 15.058 11.933 23.696 1.00 0.00 O +HETATM 497 H1 HOH A 166 15.684 11.398 24.184 1.00 0.00 H +HETATM 498 H2 HOH A 166 15.005 12.751 24.190 1.00 0.00 H +HETATM 499 O HOH A 167 3.706 13.893 24.149 1.00 0.00 O +HETATM 500 H1 HOH A 167 3.551 14.762 23.779 1.00 0.00 H +HETATM 501 H2 HOH A 167 4.549 13.624 23.785 1.00 0.00 H +HETATM 502 O HOH A 168 0.115 3.482 32.638 1.00 0.00 O +HETATM 503 H1 HOH A 168 0.966 3.688 33.024 1.00 0.00 H +HETATM 504 H2 HOH A 168 -0.483 3.437 33.384 1.00 0.00 H +HETATM 505 O HOH A 169 24.155 21.190 10.704 1.00 0.00 O +HETATM 506 H1 HOH A 169 24.246 22.001 11.203 1.00 0.00 H +HETATM 507 H2 HOH A 169 24.967 20.712 10.871 1.00 0.00 H +HETATM 508 O HOH A 170 7.204 24.028 19.598 1.00 0.00 O +HETATM 509 H1 HOH A 170 6.474 24.323 19.054 1.00 0.00 H +HETATM 510 H2 HOH A 170 7.159 24.579 20.380 1.00 0.00 H +HETATM 511 O HOH A 171 2.076 5.313 13.255 1.00 0.00 O +HETATM 512 H1 HOH A 171 2.889 5.685 12.913 1.00 0.00 H +HETATM 513 H2 HOH A 171 1.400 5.612 12.646 1.00 0.00 H +HETATM 514 O HOH A 172 41.198 49.924 23.454 1.00 0.00 O +HETATM 515 H1 HOH A 172 42.149 50.022 23.396 1.00 0.00 H +HETATM 516 H2 HOH A 172 41.035 49.013 23.212 1.00 0.00 H +HETATM 517 O HOH A 173 19.469 19.037 12.465 1.00 0.00 O +HETATM 518 H1 HOH A 173 18.809 19.489 12.992 1.00 0.00 H +HETATM 519 H2 HOH A 173 19.661 18.238 12.955 1.00 0.00 H +HETATM 520 O HOH A 174 2.928 15.746 41.894 1.00 0.00 O +HETATM 521 H1 HOH A 174 1.971 15.717 41.869 1.00 0.00 H +HETATM 522 H2 HOH A 174 3.205 15.021 41.334 1.00 0.00 H +HETATM 523 O HOH A 175 19.661 2.342 7.118 1.00 0.00 O +HETATM 524 H1 HOH A 175 20.217 1.565 7.056 1.00 0.00 H +HETATM 525 H2 HOH A 175 20.259 3.044 7.374 1.00 0.00 H +HETATM 526 O HOH A 176 28.762 33.121 43.147 1.00 0.00 O +HETATM 527 H1 HOH A 176 28.066 33.315 43.774 1.00 0.00 H +HETATM 528 H2 HOH A 176 28.860 33.927 42.640 1.00 0.00 H +HETATM 529 O HOH A 177 33.747 5.849 14.630 1.00 0.00 O +HETATM 530 H1 HOH A 177 34.700 5.761 14.606 1.00 0.00 H +HETATM 531 H2 HOH A 177 33.592 6.793 14.597 1.00 0.00 H +HETATM 532 O HOH A 178 6.905 19.629 24.933 1.00 0.00 O +HETATM 533 H1 HOH A 178 7.688 20.128 24.699 1.00 0.00 H +HETATM 534 H2 HOH A 178 7.125 19.213 25.767 1.00 0.00 H +HETATM 535 O HOH A 179 22.902 28.190 6.772 1.00 0.00 O +HETATM 536 H1 HOH A 179 23.733 28.549 7.081 1.00 0.00 H +HETATM 537 H2 HOH A 179 23.102 27.828 5.909 1.00 0.00 H +HETATM 538 O HOH A 180 -3.535 23.210 -0.597 1.00 0.00 O +HETATM 539 H1 HOH A 180 -4.190 23.146 -1.291 1.00 0.00 H +HETATM 540 H2 HOH A 180 -3.865 23.896 -0.017 1.00 0.00 H +HETATM 541 O HOH A 181 13.405 8.386 34.670 1.00 0.00 O +HETATM 542 H1 HOH A 181 13.538 9.334 34.690 1.00 0.00 H +HETATM 543 H2 HOH A 181 12.466 8.273 34.821 1.00 0.00 H +HETATM 544 O HOH A 182 10.500 49.611 9.621 1.00 0.00 O +HETATM 545 H1 HOH A 182 10.593 49.999 8.752 1.00 0.00 H +HETATM 546 H2 HOH A 182 9.617 49.242 9.626 1.00 0.00 H +HETATM 547 O HOH A 183 7.440 -0.988 21.790 1.00 0.00 O +HETATM 548 H1 HOH A 183 6.581 -1.066 21.375 1.00 0.00 H +HETATM 549 H2 HOH A 183 7.486 -0.076 22.077 1.00 0.00 H +HETATM 550 O HOH A 184 27.410 13.505 25.840 1.00 0.00 O +HETATM 551 H1 HOH A 184 27.271 14.210 26.472 1.00 0.00 H +HETATM 552 H2 HOH A 184 26.548 13.361 25.448 1.00 0.00 H +HETATM 553 O HOH A 185 31.112 17.068 -6.283 1.00 0.00 O +HETATM 554 H1 HOH A 185 31.873 17.601 -6.511 1.00 0.00 H +HETATM 555 H2 HOH A 185 30.697 17.538 -5.560 1.00 0.00 H +HETATM 556 O HOH A 186 33.924 26.630 10.724 1.00 0.00 O +HETATM 557 H1 HOH A 186 33.292 27.229 11.121 1.00 0.00 H +HETATM 558 H2 HOH A 186 34.643 26.586 11.354 1.00 0.00 H +HETATM 559 O HOH A 187 5.571 26.344 18.666 1.00 0.00 O +HETATM 560 H1 HOH A 187 5.578 27.086 18.061 1.00 0.00 H +HETATM 561 H2 HOH A 187 5.751 26.732 19.522 1.00 0.00 H +HETATM 562 O HOH A 188 -3.960 16.224 8.616 1.00 0.00 O +HETATM 563 H1 HOH A 188 -4.572 15.496 8.504 1.00 0.00 H +HETATM 564 H2 HOH A 188 -3.192 15.972 8.104 1.00 0.00 H +HETATM 565 O HOH A 189 -3.734 9.266 11.345 1.00 0.00 O +HETATM 566 H1 HOH A 189 -3.313 8.653 11.948 1.00 0.00 H +HETATM 567 H2 HOH A 189 -3.421 9.003 10.479 1.00 0.00 H +HETATM 568 O HOH A 190 -9.562 21.322 40.413 1.00 0.00 O +HETATM 569 H1 HOH A 190 -8.709 21.583 40.065 1.00 0.00 H +HETATM 570 H2 HOH A 190 -10.193 21.839 39.913 1.00 0.00 H +HETATM 571 O HOH A 191 12.709 19.550 19.902 1.00 0.00 O +HETATM 572 H1 HOH A 191 13.200 20.345 20.110 1.00 0.00 H +HETATM 573 H2 HOH A 191 13.382 18.889 19.737 1.00 0.00 H +HETATM 574 O HOH A 192 16.045 14.726 3.886 1.00 0.00 O +HETATM 575 H1 HOH A 192 15.149 14.817 4.209 1.00 0.00 H +HETATM 576 H2 HOH A 192 15.948 14.362 3.006 1.00 0.00 H +HETATM 577 O HOH A 193 14.113 17.698 17.803 1.00 0.00 O +HETATM 578 H1 HOH A 193 14.780 17.234 18.309 1.00 0.00 H +HETATM 579 H2 HOH A 193 13.397 17.069 17.715 1.00 0.00 H +HETATM 580 O HOH A 194 15.786 -12.683 19.243 1.00 0.00 O +HETATM 581 H1 HOH A 194 14.932 -12.826 18.835 1.00 0.00 H +HETATM 582 H2 HOH A 194 16.272 -12.161 18.604 1.00 0.00 H +HETATM 583 O HOH A 195 8.147 28.452 11.654 1.00 0.00 O +HETATM 584 H1 HOH A 195 8.896 27.888 11.846 1.00 0.00 H +HETATM 585 H2 HOH A 195 8.500 29.341 11.692 1.00 0.00 H +HETATM 586 O HOH A 196 33.869 13.438 10.653 1.00 0.00 O +HETATM 587 H1 HOH A 196 34.530 13.786 11.251 1.00 0.00 H +HETATM 588 H2 HOH A 196 33.712 12.546 10.963 1.00 0.00 H +HETATM 589 O HOH A 197 31.321 21.773 36.017 1.00 0.00 O +HETATM 590 H1 HOH A 197 30.418 21.456 36.051 1.00 0.00 H +HETATM 591 H2 HOH A 197 31.239 22.713 35.858 1.00 0.00 H +HETATM 592 O HOH A 198 -8.906 -27.069 13.422 1.00 0.00 O +HETATM 593 H1 HOH A 198 -9.580 -27.035 12.744 1.00 0.00 H +HETATM 594 H2 HOH A 198 -8.116 -26.742 12.992 1.00 0.00 H +HETATM 595 O HOH A 199 20.543 18.926 18.381 1.00 0.00 O +HETATM 596 H1 HOH A 199 21.358 18.930 18.882 1.00 0.00 H +HETATM 597 H2 HOH A 199 19.925 18.445 18.931 1.00 0.00 H +HETATM 598 O HOH A 200 16.499 26.301 31.806 1.00 0.00 O +HETATM 599 H1 HOH A 200 16.497 25.971 32.705 1.00 0.00 H +HETATM 600 H2 HOH A 200 17.250 25.872 31.396 1.00 0.00 H +HETATM 601 O HOH A 201 8.909 12.934 18.934 1.00 0.00 O +HETATM 602 H1 HOH A 201 9.774 13.116 19.302 1.00 0.00 H +HETATM 603 H2 HOH A 201 8.928 13.338 18.066 1.00 0.00 H +HETATM 604 O HOH A 202 33.937 20.399 8.787 1.00 0.00 O +HETATM 605 H1 HOH A 202 33.459 20.705 9.558 1.00 0.00 H +HETATM 606 H2 HOH A 202 34.817 20.759 8.892 1.00 0.00 H +HETATM 607 O HOH A 203 10.858 33.500 26.889 1.00 0.00 O +HETATM 608 H1 HOH A 203 11.208 33.270 26.028 1.00 0.00 H +HETATM 609 H2 HOH A 203 11.548 34.024 27.296 1.00 0.00 H +HETATM 610 O HOH A 204 17.864 2.714 14.814 1.00 0.00 O +HETATM 611 H1 HOH A 204 18.019 2.460 15.724 1.00 0.00 H +HETATM 612 H2 HOH A 204 17.533 1.919 14.396 1.00 0.00 H +HETATM 613 O HOH A 205 19.062 11.047 -5.987 1.00 0.00 O +HETATM 614 H1 HOH A 205 19.779 11.658 -5.819 1.00 0.00 H +HETATM 615 H2 HOH A 205 19.412 10.191 -5.738 1.00 0.00 H +HETATM 616 O HOH A 206 11.981 19.970 23.068 1.00 0.00 O +HETATM 617 H1 HOH A 206 12.090 20.687 22.442 1.00 0.00 H +HETATM 618 H2 HOH A 206 12.496 19.251 22.702 1.00 0.00 H +HETATM 619 O HOH A 207 3.185 22.199 0.931 1.00 0.00 O +HETATM 620 H1 HOH A 207 2.821 21.744 1.690 1.00 0.00 H +HETATM 621 H2 HOH A 207 2.597 22.941 0.792 1.00 0.00 H +HETATM 622 O HOH A 208 2.582 14.649 27.250 1.00 0.00 O +HETATM 623 H1 HOH A 208 1.973 15.385 27.193 1.00 0.00 H +HETATM 624 H2 HOH A 208 2.216 13.989 26.661 1.00 0.00 H +HETATM 625 O HOH A 209 -3.401 10.304 8.774 1.00 0.00 O +HETATM 626 H1 HOH A 209 -4.314 10.589 8.728 1.00 0.00 H +HETATM 627 H2 HOH A 209 -3.437 9.360 8.623 1.00 0.00 H +HETATM 628 O HOH A 210 -15.966 21.603 35.406 1.00 0.00 O +HETATM 629 H1 HOH A 210 -16.698 21.119 35.023 1.00 0.00 H +HETATM 630 H2 HOH A 210 -15.230 20.992 35.370 1.00 0.00 H +HETATM 631 O HOH A 211 8.420 25.634 36.927 1.00 0.00 O +HETATM 632 H1 HOH A 211 7.677 25.047 36.782 1.00 0.00 H +HETATM 633 H2 HOH A 211 8.914 25.225 37.638 1.00 0.00 H +HETATM 634 O HOH A 212 8.396 3.543 5.853 1.00 0.00 O +HETATM 635 H1 HOH A 212 9.352 3.569 5.890 1.00 0.00 H +HETATM 636 H2 HOH A 212 8.199 3.135 5.010 1.00 0.00 H +HETATM 637 O HOH A 213 17.530 37.275 4.698 1.00 0.00 O +HETATM 638 H1 HOH A 213 18.286 36.981 5.206 1.00 0.00 H +HETATM 639 H2 HOH A 213 16.846 36.635 4.893 1.00 0.00 H +HETATM 640 O HOH A 214 -14.574 15.657 9.648 1.00 0.00 O +HETATM 641 H1 HOH A 214 -14.658 15.726 8.697 1.00 0.00 H +HETATM 642 H2 HOH A 214 -15.473 15.548 9.961 1.00 0.00 H +HETATM 643 O HOH A 215 11.914 30.234 5.243 1.00 0.00 O +HETATM 644 H1 HOH A 215 12.749 29.781 5.352 1.00 0.00 H +HETATM 645 H2 HOH A 215 12.141 31.053 4.803 1.00 0.00 H +HETATM 646 O HOH A 216 -0.522 -6.277 8.863 1.00 0.00 O +HETATM 647 H1 HOH A 216 -1.105 -6.609 9.546 1.00 0.00 H +HETATM 648 H2 HOH A 216 0.232 -5.929 9.339 1.00 0.00 H +HETATM 649 O HOH A 217 7.768 10.066 20.566 1.00 0.00 O +HETATM 650 H1 HOH A 217 8.242 10.462 19.835 1.00 0.00 H +HETATM 651 H2 HOH A 217 8.378 10.114 21.302 1.00 0.00 H +HETATM 652 O HOH A 218 5.858 17.222 11.702 1.00 0.00 O +HETATM 653 H1 HOH A 218 5.760 16.430 11.174 1.00 0.00 H +HETATM 654 H2 HOH A 218 6.483 16.979 12.385 1.00 0.00 H +HETATM 655 O HOH A 219 7.393 10.732 27.941 1.00 0.00 O +HETATM 656 H1 HOH A 219 7.236 11.416 28.592 1.00 0.00 H +HETATM 657 H2 HOH A 219 8.235 10.963 27.549 1.00 0.00 H +HETATM 658 O HOH A 220 9.479 9.259 5.313 1.00 0.00 O +HETATM 659 H1 HOH A 220 10.382 9.561 5.410 1.00 0.00 H +HETATM 660 H2 HOH A 220 9.534 8.307 5.396 1.00 0.00 H +HETATM 661 O HOH A 221 4.994 15.499 6.857 1.00 0.00 O +HETATM 662 H1 HOH A 221 4.406 14.827 7.200 1.00 0.00 H +HETATM 663 H2 HOH A 221 4.415 16.127 6.424 1.00 0.00 H +HETATM 664 O HOH A 222 3.745 11.437 7.380 1.00 0.00 O +HETATM 665 H1 HOH A 222 3.509 10.871 6.646 1.00 0.00 H +HETATM 666 H2 HOH A 222 3.631 12.326 7.044 1.00 0.00 H +HETATM 667 O HOH A 223 29.330 11.042 2.860 1.00 0.00 O +HETATM 668 H1 HOH A 223 29.163 11.984 2.823 1.00 0.00 H +HETATM 669 H2 HOH A 223 29.117 10.796 3.760 1.00 0.00 H +HETATM 670 O HOH A 224 5.653 -10.335 12.774 1.00 0.00 O +HETATM 671 H1 HOH A 224 6.467 -10.655 12.384 1.00 0.00 H +HETATM 672 H2 HOH A 224 5.491 -9.498 12.338 1.00 0.00 H +HETATM 673 O HOH A 225 23.543 -16.347 24.227 1.00 0.00 O +HETATM 674 H1 HOH A 225 23.519 -17.290 24.068 1.00 0.00 H +HETATM 675 H2 HOH A 225 24.343 -16.051 23.792 1.00 0.00 H +HETATM 676 O HOH A 226 17.055 0.160 13.539 1.00 0.00 O +HETATM 677 H1 HOH A 226 17.046 0.501 12.645 1.00 0.00 H +HETATM 678 H2 HOH A 226 16.514 -0.628 13.500 1.00 0.00 H +HETATM 679 O HOH A 227 0.374 -4.555 -17.293 1.00 0.00 O +HETATM 680 H1 HOH A 227 0.809 -5.034 -17.999 1.00 0.00 H +HETATM 681 H2 HOH A 227 -0.206 -5.199 -16.887 1.00 0.00 H +HETATM 682 O HOH A 228 -10.128 23.181 -0.829 1.00 0.00 O +HETATM 683 H1 HOH A 228 -10.170 22.794 -1.703 1.00 0.00 H +HETATM 684 H2 HOH A 228 -11.040 23.373 -0.608 1.00 0.00 H +HETATM 685 O HOH A 229 26.389 10.134 5.799 1.00 0.00 O +HETATM 686 H1 HOH A 229 26.174 10.606 6.603 1.00 0.00 H +HETATM 687 H2 HOH A 229 27.313 9.905 5.895 1.00 0.00 H +HETATM 688 O HOH A 230 25.058 30.288 37.864 1.00 0.00 O +HETATM 689 H1 HOH A 230 25.604 29.596 37.492 1.00 0.00 H +HETATM 690 H2 HOH A 230 25.339 31.084 37.414 1.00 0.00 H +HETATM 691 O HOH A 231 34.715 -13.724 25.658 1.00 0.00 O +HETATM 692 H1 HOH A 231 35.415 -14.371 25.570 1.00 0.00 H +HETATM 693 H2 HOH A 231 35.039 -13.110 26.318 1.00 0.00 H +HETATM 694 O HOH A 232 -3.635 0.427 24.957 1.00 0.00 O +HETATM 695 H1 HOH A 232 -3.025 -0.268 24.710 1.00 0.00 H +HETATM 696 H2 HOH A 232 -3.279 0.782 25.771 1.00 0.00 H +HETATM 697 O HOH A 233 14.226 22.094 4.807 1.00 0.00 O +HETATM 698 H1 HOH A 233 14.881 21.408 4.937 1.00 0.00 H +HETATM 699 H2 HOH A 233 13.911 22.296 5.688 1.00 0.00 H +HETATM 700 O HOH A 234 29.735 -3.283 30.841 1.00 0.00 O +HETATM 701 H1 HOH A 234 30.496 -2.880 31.259 1.00 0.00 H +HETATM 702 H2 HOH A 234 29.699 -2.882 29.972 1.00 0.00 H +HETATM 703 O HOH A 235 33.254 24.330 9.374 1.00 0.00 O +HETATM 704 H1 HOH A 235 33.508 25.103 9.877 1.00 0.00 H +HETATM 705 H2 HOH A 235 32.308 24.421 9.255 1.00 0.00 H +HETATM 706 O HOH A 236 15.972 16.900 13.526 1.00 0.00 O +HETATM 707 H1 HOH A 236 15.887 15.974 13.296 1.00 0.00 H +HETATM 708 H2 HOH A 236 16.762 16.943 14.064 1.00 0.00 H +HETATM 709 O HOH A 237 -10.943 15.396 27.760 1.00 0.00 O +HETATM 710 H1 HOH A 237 -10.329 14.740 27.430 1.00 0.00 H +HETATM 711 H2 HOH A 237 -10.386 16.105 28.082 1.00 0.00 H +HETATM 712 O HOH A 238 11.357 14.129 35.091 1.00 0.00 O +HETATM 713 H1 HOH A 238 10.411 14.054 35.222 1.00 0.00 H +HETATM 714 H2 HOH A 238 11.496 13.856 34.185 1.00 0.00 H +HETATM 715 O HOH A 239 29.335 6.273 25.278 1.00 0.00 O +HETATM 716 H1 HOH A 239 30.055 5.783 24.880 1.00 0.00 H +HETATM 717 H2 HOH A 239 28.597 5.663 25.272 1.00 0.00 H +HETATM 718 O HOH A 240 26.976 -6.435 9.407 1.00 0.00 O +HETATM 719 H1 HOH A 240 26.358 -5.709 9.329 1.00 0.00 H +HETATM 720 H2 HOH A 240 27.786 -6.104 9.020 1.00 0.00 H +HETATM 721 O HOH A 241 19.330 2.798 4.500 1.00 0.00 O +HETATM 722 H1 HOH A 241 18.517 3.147 4.136 1.00 0.00 H +HETATM 723 H2 HOH A 241 19.260 2.959 5.441 1.00 0.00 H +HETATM 724 O HOH A 242 22.452 7.022 28.817 1.00 0.00 O +HETATM 725 H1 HOH A 242 23.175 6.410 28.684 1.00 0.00 H +HETATM 726 H2 HOH A 242 22.558 7.674 28.125 1.00 0.00 H +HETATM 727 O HOH A 243 23.035 -2.587 25.104 1.00 0.00 O +HETATM 728 H1 HOH A 243 23.031 -1.635 25.195 1.00 0.00 H +HETATM 729 H2 HOH A 243 23.104 -2.738 24.162 1.00 0.00 H +HETATM 730 O HOH A 244 3.317 23.077 7.325 1.00 0.00 O +HETATM 731 H1 HOH A 244 3.199 22.976 6.380 1.00 0.00 H +HETATM 732 H2 HOH A 244 4.231 23.343 7.425 1.00 0.00 H +HETATM 733 O HOH A 245 41.011 4.867 24.694 1.00 0.00 O +HETATM 734 H1 HOH A 245 41.849 4.470 24.457 1.00 0.00 H +HETATM 735 H2 HOH A 245 40.356 4.220 24.434 1.00 0.00 H +HETATM 736 O HOH A 246 2.755 13.907 36.908 1.00 0.00 O +HETATM 737 H1 HOH A 246 2.764 14.752 36.459 1.00 0.00 H +HETATM 738 H2 HOH A 246 1.962 13.475 36.590 1.00 0.00 H +HETATM 739 O HOH A 247 -5.782 11.154 11.832 1.00 0.00 O +HETATM 740 H1 HOH A 247 -6.502 10.539 11.972 1.00 0.00 H +HETATM 741 H2 HOH A 247 -5.036 10.602 11.598 1.00 0.00 H +HETATM 742 O HOH A 248 7.540 8.658 -1.999 1.00 0.00 O +HETATM 743 H1 HOH A 248 7.820 7.748 -1.900 1.00 0.00 H +HETATM 744 H2 HOH A 248 7.532 8.805 -2.945 1.00 0.00 H +HETATM 745 O HOH A 249 -3.007 -15.996 3.784 1.00 0.00 O +HETATM 746 H1 HOH A 249 -3.372 -16.881 3.763 1.00 0.00 H +HETATM 747 H2 HOH A 249 -3.756 -15.423 3.619 1.00 0.00 H +HETATM 748 O HOH A 250 12.841 2.094 10.675 1.00 0.00 O +HETATM 749 H1 HOH A 250 12.561 1.534 11.399 1.00 0.00 H +HETATM 750 H2 HOH A 250 12.814 2.981 11.034 1.00 0.00 H +HETATM 751 O HOH A 251 5.695 -12.694 6.634 1.00 0.00 O +HETATM 752 H1 HOH A 251 5.591 -13.645 6.634 1.00 0.00 H +HETATM 753 H2 HOH A 251 6.515 -12.542 7.104 1.00 0.00 H +HETATM 754 O HOH A 252 9.154 21.754 35.896 1.00 0.00 O +HETATM 755 H1 HOH A 252 8.794 21.040 36.421 1.00 0.00 H +HETATM 756 H2 HOH A 252 8.394 22.291 35.668 1.00 0.00 H +HETATM 757 O HOH A 253 46.011 21.431 1.793 1.00 0.00 O +HETATM 758 H1 HOH A 253 46.293 22.132 2.381 1.00 0.00 H +HETATM 759 H2 HOH A 253 45.220 21.771 1.376 1.00 0.00 H +HETATM 760 O HOH A 254 26.379 23.495 16.444 1.00 0.00 O +HETATM 761 H1 HOH A 254 25.699 22.988 16.889 1.00 0.00 H +HETATM 762 H2 HOH A 254 26.153 23.435 15.516 1.00 0.00 H +HETATM 763 O HOH A 255 17.717 4.536 26.680 1.00 0.00 O +HETATM 764 H1 HOH A 255 18.664 4.410 26.744 1.00 0.00 H +HETATM 765 H2 HOH A 255 17.372 4.188 27.502 1.00 0.00 H +HETATM 766 O HOH A 256 0.326 17.285 5.927 1.00 0.00 O +HETATM 767 H1 HOH A 256 1.055 16.711 5.690 1.00 0.00 H +HETATM 768 H2 HOH A 256 0.729 18.144 6.054 1.00 0.00 H +TER 769 HOH A 256 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/openmm_statistics.csv 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+980000,-10151.058074090506,1964.392652358766,-8186.66542173174,307.6329824580935,7.7176871523729815,0.992302236681453,767 +982000,-10392.865303843297,1957.3453654060345,-8435.519938437263,306.52934469967306,7.574861860250603,1.0110122619522015,767 +984000,-10103.1098280281,1919.6587912284754,-8183.4510367996245,300.62745273375197,7.773745821685826,0.9851464659345701,767 +986000,-10316.04827451396,1887.8841016154915,-8428.164172898469,295.6513892565316,7.77500456547064,0.9849869744538018,767 +988000,-10117.010567314443,1779.018807453016,-8337.991759861427,278.6025802573909,7.794304651800163,0.9825479712983349,767 +990000,-10296.986843603067,1833.3524942045256,-8463.63434939854,287.11148711124224,7.78640317923892,0.983545039605306,767 +992000,-10145.668993107705,1917.5291372616505,-8228.139855846055,300.2939390644601,7.829059832659438,0.9781861918286039,767 +994000,-10242.715424008944,1787.6111631096742,-8455.10426089927,279.9481829269104,7.9292238993414745,0.9658294835063802,767 +996000,-10448.936557131536,1962.3661559077364,-8486.570401223798,307.3156237332874,7.474379062805457,1.0246039381942906,767 +998000,-10317.962121504213,1946.338079702733,-8371.62404180148,304.80555280623014,7.540847570573972,1.015572606611449,767 +1000000,-10264.729708699393,1911.7465327447435,-8352.98317595465,299.3883564296566,7.789843216969034,0.983110700690995,767 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/output.pdb new file mode 100644 index 00000000..56b42a0e --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/output.pdb @@ -0,0 +1,772 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 19.823 19.823 19.823 90.00 90.00 90.00 P 1 1 +HETATM 1 O HOH A 1 16.570 31.560 28.651 1.00 0.00 O +HETATM 2 H1 HOH A 1 17.021 32.263 29.119 1.00 0.00 H +HETATM 3 H2 HOH A 1 17.272 31.063 28.232 1.00 0.00 H +HETATM 4 O HOH A 2 15.951 7.629 97.137 1.00 0.00 O +HETATM 5 H1 HOH A 2 16.529 7.196 96.508 1.00 0.00 H +HETATM 6 H2 HOH A 2 15.108 7.686 96.688 1.00 0.00 H +HETATM 7 O HOH A 3 -49.943 64.098 118.897 1.00 0.00 O +HETATM 8 H1 HOH A 3 -50.723 63.858 119.396 1.00 0.00 H +HETATM 9 H2 HOH A 3 -49.764 65.003 119.153 1.00 0.00 H +HETATM 10 O HOH A 4 40.005 31.510 -49.969 1.00 0.00 O +HETATM 11 H1 HOH A 4 39.920 31.630 -49.023 1.00 0.00 H +HETATM 12 H2 HOH A 4 40.431 32.310 -50.275 1.00 0.00 H +HETATM 13 O HOH A 5 -15.747 3.904 35.712 1.00 0.00 O +HETATM 14 H1 HOH A 5 -15.335 3.050 35.846 1.00 0.00 H +HETATM 15 H2 HOH A 5 -16.549 3.869 36.233 1.00 0.00 H +HETATM 16 O HOH A 6 -15.749 70.392 -30.095 1.00 0.00 O +HETATM 17 H1 HOH A 6 -16.143 69.577 -30.406 1.00 0.00 H +HETATM 18 H2 HOH A 6 -15.702 70.288 -29.144 1.00 0.00 H +HETATM 19 O HOH A 7 -33.326 -21.249 -21.944 1.00 0.00 O +HETATM 20 H1 HOH A 7 -33.880 -22.029 -21.979 1.00 0.00 H +HETATM 21 H2 HOH A 7 -33.063 -21.182 -21.026 1.00 0.00 H +HETATM 22 O HOH A 8 -41.874 -3.693 18.394 1.00 0.00 O +HETATM 23 H1 HOH A 8 -42.046 -4.437 18.971 1.00 0.00 H +HETATM 24 H2 HOH A 8 -42.187 -2.932 18.884 1.00 0.00 H +HETATM 25 O HOH A 9 -9.865 31.448 24.007 1.00 0.00 O +HETATM 26 H1 HOH A 9 -10.211 31.097 24.828 1.00 0.00 H +HETATM 27 H2 HOH A 9 -9.872 32.397 24.131 1.00 0.00 H +HETATM 28 O HOH A 10 2.618 2.643 -31.073 1.00 0.00 O +HETATM 29 H1 HOH A 10 3.386 2.075 -31.136 1.00 0.00 H +HETATM 30 H2 HOH A 10 2.130 2.305 -30.322 1.00 0.00 H +HETATM 31 O HOH A 11 3.995 30.825 32.137 1.00 0.00 O +HETATM 32 H1 HOH A 11 3.553 31.623 32.427 1.00 0.00 H +HETATM 33 H2 HOH A 11 4.541 30.570 32.880 1.00 0.00 H +HETATM 34 O HOH A 12 -28.849 46.937 40.189 1.00 0.00 O +HETATM 35 H1 HOH A 12 -29.326 47.746 40.373 1.00 0.00 H +HETATM 36 H2 HOH A 12 -27.932 47.155 40.355 1.00 0.00 H +HETATM 37 O HOH A 13 28.278 58.347 -15.783 1.00 0.00 O +HETATM 38 H1 HOH A 13 28.797 57.810 -16.382 1.00 0.00 H +HETATM 39 H2 HOH A 13 28.754 58.310 -14.954 1.00 0.00 H +HETATM 40 O HOH A 14 71.809 31.723 45.674 1.00 0.00 O +HETATM 41 H1 HOH A 14 72.234 30.986 46.112 1.00 0.00 H +HETATM 42 H2 HOH A 14 71.792 31.474 44.749 1.00 0.00 H +HETATM 43 O HOH A 15 -36.465 16.816 63.083 1.00 0.00 O +HETATM 44 H1 HOH A 15 -36.646 17.309 63.883 1.00 0.00 H +HETATM 45 H2 HOH A 15 -37.302 16.411 62.856 1.00 0.00 H +HETATM 46 O HOH A 16 3.334 7.016 -27.545 1.00 0.00 O +HETATM 47 H1 HOH A 16 3.389 6.634 -28.421 1.00 0.00 H +HETATM 48 H2 HOH A 16 2.834 7.823 -27.666 1.00 0.00 H +HETATM 49 O HOH A 17 12.176 87.536 -89.200 1.00 0.00 O +HETATM 50 H1 HOH A 17 13.122 87.661 -89.275 1.00 0.00 H +HETATM 51 H2 HOH A 17 12.005 86.715 -89.660 1.00 0.00 H +HETATM 52 O HOH A 18 -33.706 64.725 2.224 1.00 0.00 O +HETATM 53 H1 HOH A 18 -33.165 63.961 2.023 1.00 0.00 H +HETATM 54 H2 HOH A 18 -33.161 65.475 1.985 1.00 0.00 H +HETATM 55 O HOH A 19 -27.268 43.857 90.379 1.00 0.00 O +HETATM 56 H1 HOH A 19 -28.062 44.143 90.831 1.00 0.00 H +HETATM 57 H2 HOH A 19 -27.304 42.901 90.413 1.00 0.00 H +HETATM 58 O HOH A 20 11.547 4.018 -57.155 1.00 0.00 O +HETATM 59 H1 HOH A 20 12.142 3.921 -56.412 1.00 0.00 H +HETATM 60 H2 HOH A 20 10.897 4.657 -56.860 1.00 0.00 H +HETATM 61 O HOH A 21 -22.460 11.174 25.023 1.00 0.00 O +HETATM 62 H1 HOH A 21 -21.905 10.974 25.777 1.00 0.00 H +HETATM 63 H2 HOH A 21 -23.111 11.789 25.360 1.00 0.00 H +HETATM 64 O HOH A 22 -12.944 1.105 -9.283 1.00 0.00 O +HETATM 65 H1 HOH A 22 -13.235 1.283 -8.388 1.00 0.00 H +HETATM 66 H2 HOH A 22 -12.081 1.516 -9.340 1.00 0.00 H +HETATM 67 O HOH A 23 14.043 75.347 33.772 1.00 0.00 O +HETATM 68 H1 HOH A 23 14.456 74.839 33.073 1.00 0.00 H +HETATM 69 H2 HOH A 23 13.104 75.239 33.623 1.00 0.00 H +HETATM 70 O HOH A 24 17.447 -35.481 50.375 1.00 0.00 O +HETATM 71 H1 HOH A 24 17.948 -35.783 49.618 1.00 0.00 H +HETATM 72 H2 HOH A 24 18.088 -35.431 51.084 1.00 0.00 H +HETATM 73 O HOH A 25 38.721 149.006 -71.905 1.00 0.00 O +HETATM 74 H1 HOH A 25 39.246 149.430 -71.226 1.00 0.00 H +HETATM 75 H2 HOH A 25 39.324 148.895 -72.640 1.00 0.00 H +HETATM 76 O HOH A 26 50.853 112.969 47.291 1.00 0.00 O +HETATM 77 H1 HOH A 26 50.849 112.377 48.043 1.00 0.00 H +HETATM 78 H2 HOH A 26 51.219 112.447 46.577 1.00 0.00 H +HETATM 79 O HOH A 27 29.043 77.032 33.067 1.00 0.00 O +HETATM 80 H1 HOH A 27 29.851 77.545 33.049 1.00 0.00 H +HETATM 81 H2 HOH A 27 28.503 77.459 33.732 1.00 0.00 H +HETATM 82 O HOH A 28 34.839 44.308 28.250 1.00 0.00 O +HETATM 83 H1 HOH A 28 34.261 43.545 28.216 1.00 0.00 H +HETATM 84 H2 HOH A 28 35.691 43.976 27.966 1.00 0.00 H +HETATM 85 O HOH A 29 -31.115 21.083 14.129 1.00 0.00 O +HETATM 86 H1 HOH A 29 -30.935 21.455 14.992 1.00 0.00 H +HETATM 87 H2 HOH A 29 -31.311 20.162 14.300 1.00 0.00 H +HETATM 88 O HOH A 30 12.173 -26.096 -45.449 1.00 0.00 O +HETATM 89 H1 HOH A 30 11.424 -26.378 -44.924 1.00 0.00 H +HETATM 90 H2 HOH A 30 12.916 -26.575 -45.083 1.00 0.00 H +HETATM 91 O HOH A 31 -3.340 67.718 60.195 1.00 0.00 O +HETATM 92 H1 HOH A 31 -3.355 67.314 59.328 1.00 0.00 H +HETATM 93 H2 HOH A 31 -2.824 67.116 60.732 1.00 0.00 H +HETATM 94 O HOH A 32 38.652 127.396 3.628 1.00 0.00 O +HETATM 95 H1 HOH A 32 38.439 126.761 4.312 1.00 0.00 H +HETATM 96 H2 HOH A 32 38.213 128.201 3.904 1.00 0.00 H +HETATM 97 O HOH A 33 -31.343 4.029 26.891 1.00 0.00 O +HETATM 98 H1 HOH A 33 -31.554 3.400 26.201 1.00 0.00 H +HETATM 99 H2 HOH A 33 -31.763 3.675 27.675 1.00 0.00 H +HETATM 100 O HOH A 34 -20.843 37.852 -29.317 1.00 0.00 O +HETATM 101 H1 HOH A 34 -19.898 37.959 -29.426 1.00 0.00 H +HETATM 102 H2 HOH A 34 -21.095 37.233 -30.001 1.00 0.00 H +HETATM 103 O HOH A 35 54.555 7.534 -31.089 1.00 0.00 O +HETATM 104 H1 HOH A 35 55.491 7.701 -30.973 1.00 0.00 H +HETATM 105 H2 HOH A 35 54.484 6.580 -31.119 1.00 0.00 H +HETATM 106 O HOH A 36 107.069 63.092 -77.068 1.00 0.00 O +HETATM 107 H1 HOH A 36 107.660 63.399 -76.381 1.00 0.00 H +HETATM 108 H2 HOH A 36 106.910 62.173 -76.854 1.00 0.00 H +HETATM 109 O HOH A 37 55.014 -39.477 -49.733 1.00 0.00 O +HETATM 110 H1 HOH A 37 54.331 -40.142 -49.817 1.00 0.00 H +HETATM 111 H2 HOH A 37 55.276 -39.516 -48.813 1.00 0.00 H +HETATM 112 O HOH A 38 35.725 57.888 -19.940 1.00 0.00 O +HETATM 113 H1 HOH A 38 35.650 58.497 -20.675 1.00 0.00 H +HETATM 114 H2 HOH A 38 35.880 58.448 -19.180 1.00 0.00 H +HETATM 115 O HOH A 39 33.090 13.213 2.593 1.00 0.00 O +HETATM 116 H1 HOH A 39 32.295 13.422 2.103 1.00 0.00 H +HETATM 117 H2 HOH A 39 32.868 12.424 3.087 1.00 0.00 H +HETATM 118 O HOH A 40 -17.524 63.574 60.580 1.00 0.00 O +HETATM 119 H1 HOH A 40 -16.811 63.557 59.942 1.00 0.00 H +HETATM 120 H2 HOH A 40 -17.804 62.662 60.652 1.00 0.00 H +HETATM 121 O HOH A 41 -62.237 3.136 27.387 1.00 0.00 O +HETATM 122 H1 HOH A 41 -61.380 3.370 27.745 1.00 0.00 H +HETATM 123 H2 HOH A 41 -62.257 2.180 27.419 1.00 0.00 H +HETATM 124 O HOH A 42 30.064 54.327 43.907 1.00 0.00 O +HETATM 125 H1 HOH A 42 31.013 54.451 43.868 1.00 0.00 H +HETATM 126 H2 HOH A 42 29.708 55.022 43.354 1.00 0.00 H +HETATM 127 O HOH A 43 -56.801 115.860 15.338 1.00 0.00 O +HETATM 128 H1 HOH A 43 -57.009 115.920 16.270 1.00 0.00 H +HETATM 129 H2 HOH A 43 -55.956 115.410 15.309 1.00 0.00 H +HETATM 130 O HOH A 44 -62.127 79.728 27.573 1.00 0.00 O +HETATM 131 H1 HOH A 44 -61.403 79.194 27.900 1.00 0.00 H +HETATM 132 H2 HOH A 44 -62.796 79.669 28.255 1.00 0.00 H +HETATM 133 O HOH A 45 46.738 11.090 42.018 1.00 0.00 O +HETATM 134 H1 HOH A 45 47.624 10.727 42.021 1.00 0.00 H +HETATM 135 H2 HOH A 45 46.840 11.975 42.370 1.00 0.00 H +HETATM 136 O HOH A 46 -17.585 75.955 47.342 1.00 0.00 O +HETATM 137 H1 HOH A 46 -18.040 76.591 46.790 1.00 0.00 H +HETATM 138 H2 HOH A 46 -16.657 76.095 47.154 1.00 0.00 H +HETATM 139 O HOH A 47 -22.108 34.602 45.227 1.00 0.00 O +HETATM 140 H1 HOH A 47 -21.397 33.973 45.106 1.00 0.00 H +HETATM 141 H2 HOH A 47 -22.818 34.090 45.616 1.00 0.00 H +HETATM 142 O HOH A 48 107.854 70.606 -42.210 1.00 0.00 O +HETATM 143 H1 HOH A 48 107.312 70.723 -41.430 1.00 0.00 H +HETATM 144 H2 HOH A 48 107.918 69.657 -42.317 1.00 0.00 H +HETATM 145 O HOH A 49 -63.890 92.509 -33.414 1.00 0.00 O +HETATM 146 H1 HOH A 49 -63.956 92.648 -32.470 1.00 0.00 H +HETATM 147 H2 HOH A 49 -64.790 92.344 -33.695 1.00 0.00 H +HETATM 148 O HOH A 50 78.362 61.035 38.760 1.00 0.00 O +HETATM 149 H1 HOH A 50 78.839 61.160 37.939 1.00 0.00 H +HETATM 150 H2 HOH A 50 77.924 60.190 38.656 1.00 0.00 H +HETATM 151 O HOH A 51 -7.109 30.528 -16.107 1.00 0.00 O +HETATM 152 H1 HOH A 51 -6.342 30.093 -16.479 1.00 0.00 H +HETATM 153 H2 HOH A 51 -7.500 29.873 -15.529 1.00 0.00 H +HETATM 154 O HOH A 52 -54.274 46.103 -3.444 1.00 0.00 O +HETATM 155 H1 HOH A 52 -53.795 45.760 -2.689 1.00 0.00 H +HETATM 156 H2 HOH A 52 -54.798 45.364 -3.751 1.00 0.00 H +HETATM 157 O HOH A 53 24.943 43.489 -55.018 1.00 0.00 O +HETATM 158 H1 HOH A 53 25.774 43.065 -54.800 1.00 0.00 H +HETATM 159 H2 HOH A 53 25.124 43.970 -55.826 1.00 0.00 H +HETATM 160 O HOH A 54 48.913 28.328 -26.894 1.00 0.00 O +HETATM 161 H1 HOH A 54 48.230 27.996 -26.311 1.00 0.00 H +HETATM 162 H2 HOH A 54 49.298 29.063 -26.418 1.00 0.00 H +HETATM 163 O HOH A 55 -14.793 48.827 56.216 1.00 0.00 O +HETATM 164 H1 HOH A 55 -13.915 49.014 56.549 1.00 0.00 H +HETATM 165 H2 HOH A 55 -14.836 47.872 56.173 1.00 0.00 H +HETATM 166 O HOH A 56 32.853 81.789 40.432 1.00 0.00 O +HETATM 167 H1 HOH A 56 32.413 81.482 39.640 1.00 0.00 H +HETATM 168 H2 HOH A 56 32.250 82.429 40.810 1.00 0.00 H +HETATM 169 O HOH A 57 17.127 110.179 35.869 1.00 0.00 O +HETATM 170 H1 HOH A 57 17.397 109.600 35.156 1.00 0.00 H +HETATM 171 H2 HOH A 57 17.216 109.645 36.659 1.00 0.00 H +HETATM 172 O HOH A 58 -74.206 51.713 -15.373 1.00 0.00 O +HETATM 173 H1 HOH A 58 -73.578 52.427 -15.261 1.00 0.00 H +HETATM 174 H2 HOH A 58 -73.676 50.971 -15.663 1.00 0.00 H +HETATM 175 O HOH A 59 -10.032 65.203 -16.350 1.00 0.00 O +HETATM 176 H1 HOH A 59 -10.610 65.954 -16.215 1.00 0.00 H +HETATM 177 H2 HOH A 59 -9.709 64.988 -15.475 1.00 0.00 H +HETATM 178 O HOH A 60 127.910 78.255 40.343 1.00 0.00 O +HETATM 179 H1 HOH A 60 127.658 79.161 40.162 1.00 0.00 H +HETATM 180 H2 HOH A 60 128.198 77.913 39.497 1.00 0.00 H +HETATM 181 O HOH A 61 -1.753 65.492 21.831 1.00 0.00 O +HETATM 182 H1 HOH A 61 -1.023 66.106 21.913 1.00 0.00 H +HETATM 183 H2 HOH A 61 -1.376 64.728 21.394 1.00 0.00 H +HETATM 184 O HOH A 62 -4.540 45.598 50.797 1.00 0.00 O +HETATM 185 H1 HOH A 62 -3.856 45.081 50.372 1.00 0.00 H +HETATM 186 H2 HOH A 62 -5.348 45.339 50.353 1.00 0.00 H +HETATM 187 O HOH A 63 5.267 -18.713 -31.336 1.00 0.00 O +HETATM 188 H1 HOH A 63 5.203 -17.787 -31.572 1.00 0.00 H +HETATM 189 H2 HOH A 63 6.026 -18.761 -30.755 1.00 0.00 H +HETATM 190 O HOH A 64 68.415 62.289 -68.993 1.00 0.00 O +HETATM 191 H1 HOH A 64 68.031 63.148 -68.813 1.00 0.00 H +HETATM 192 H2 HOH A 64 69.102 62.191 -68.333 1.00 0.00 H +HETATM 193 O HOH A 65 -9.228 44.808 25.817 1.00 0.00 O +HETATM 194 H1 HOH A 65 -8.879 45.141 26.643 1.00 0.00 H +HETATM 195 H2 HOH A 65 -9.843 44.121 26.075 1.00 0.00 H +HETATM 196 O HOH A 66 18.361 -32.568 84.990 1.00 0.00 O +HETATM 197 H1 HOH A 66 17.958 -33.395 84.722 1.00 0.00 H +HETATM 198 H2 HOH A 66 18.063 -32.437 85.890 1.00 0.00 H +HETATM 199 O HOH A 67 5.769 76.139 22.896 1.00 0.00 O +HETATM 200 H1 HOH A 67 4.995 76.468 23.353 1.00 0.00 H +HETATM 201 H2 HOH A 67 6.499 76.625 23.279 1.00 0.00 H +HETATM 202 O HOH A 68 64.009 33.495 -31.092 1.00 0.00 O +HETATM 203 H1 HOH A 68 64.161 32.627 -30.720 1.00 0.00 H +HETATM 204 H2 HOH A 68 63.307 33.363 -31.729 1.00 0.00 H +HETATM 205 O HOH A 69 60.758 120.434 40.558 1.00 0.00 O +HETATM 206 H1 HOH A 69 60.212 120.036 41.237 1.00 0.00 H +HETATM 207 H2 HOH A 69 60.147 120.643 39.851 1.00 0.00 H +HETATM 208 O HOH A 70 25.900 80.714 52.684 1.00 0.00 O +HETATM 209 H1 HOH A 70 26.667 80.817 53.247 1.00 0.00 H +HETATM 210 H2 HOH A 70 25.371 81.494 52.855 1.00 0.00 H +HETATM 211 O HOH A 71 49.449 82.444 57.013 1.00 0.00 O +HETATM 212 H1 HOH A 71 49.372 82.749 57.916 1.00 0.00 H +HETATM 213 H2 HOH A 71 49.960 81.637 57.075 1.00 0.00 H +HETATM 214 O HOH A 72 -13.902 89.230 33.877 1.00 0.00 O +HETATM 215 H1 HOH A 72 -13.369 88.459 33.685 1.00 0.00 H +HETATM 216 H2 HOH A 72 -14.312 89.035 34.720 1.00 0.00 H +HETATM 217 O HOH A 73 14.282 -47.861 35.347 1.00 0.00 O +HETATM 218 H1 HOH A 73 13.661 -48.482 35.727 1.00 0.00 H +HETATM 219 H2 HOH A 73 14.888 -47.660 36.060 1.00 0.00 H +HETATM 220 O HOH A 74 132.747 145.728 -43.135 1.00 0.00 O +HETATM 221 H1 HOH A 74 132.192 145.572 -43.900 1.00 0.00 H +HETATM 222 H2 HOH A 74 132.218 145.437 -42.392 1.00 0.00 H +HETATM 223 O HOH A 75 59.087 11.038 0.445 1.00 0.00 O +HETATM 224 H1 HOH A 75 58.881 11.379 1.315 1.00 0.00 H +HETATM 225 H2 HOH A 75 59.688 11.682 0.071 1.00 0.00 H +HETATM 226 O HOH A 76 -45.001 16.739 76.053 1.00 0.00 O +HETATM 227 H1 HOH A 76 -45.053 16.349 75.180 1.00 0.00 H +HETATM 228 H2 HOH A 76 -44.068 16.733 76.264 1.00 0.00 H +HETATM 229 O HOH A 77 -1.993 -22.875 -31.927 1.00 0.00 O +HETATM 230 H1 HOH A 77 -1.951 -23.520 -32.633 1.00 0.00 H +HETATM 231 H2 HOH A 77 -1.364 -22.200 -32.181 1.00 0.00 H +HETATM 232 O HOH A 78 48.213 59.657 46.909 1.00 0.00 O +HETATM 233 H1 HOH A 78 48.806 59.051 46.465 1.00 0.00 H +HETATM 234 H2 HOH A 78 47.616 59.092 47.400 1.00 0.00 H +HETATM 235 O HOH A 79 71.198 80.700 -9.033 1.00 0.00 O +HETATM 236 H1 HOH A 79 70.830 79.947 -9.494 1.00 0.00 H +HETATM 237 H2 HOH A 79 71.390 80.373 -8.154 1.00 0.00 H +HETATM 238 O HOH A 80 24.810 76.314 -32.384 1.00 0.00 O +HETATM 239 H1 HOH A 80 25.460 75.636 -32.565 1.00 0.00 H +HETATM 240 H2 HOH A 80 25.236 77.131 -32.644 1.00 0.00 H +HETATM 241 O HOH A 81 15.297 62.232 38.804 1.00 0.00 O +HETATM 242 H1 HOH A 81 14.759 62.008 39.563 1.00 0.00 H +HETATM 243 H2 HOH A 81 14.667 62.487 38.130 1.00 0.00 H +HETATM 244 O HOH A 82 -0.121 -14.614 12.349 1.00 0.00 O +HETATM 245 H1 HOH A 82 0.292 -15.274 12.906 1.00 0.00 H +HETATM 246 H2 HOH A 82 -0.182 -13.836 12.905 1.00 0.00 H +HETATM 247 O HOH A 83 -16.279 40.454 -28.446 1.00 0.00 O +HETATM 248 H1 HOH A 83 -15.968 40.799 -27.609 1.00 0.00 H +HETATM 249 H2 HOH A 83 -15.486 40.336 -28.968 1.00 0.00 H +HETATM 250 O HOH A 84 41.308 58.237 30.023 1.00 0.00 O +HETATM 251 H1 HOH A 84 41.806 57.599 29.512 1.00 0.00 H +HETATM 252 H2 HOH A 84 41.968 58.847 30.354 1.00 0.00 H +HETATM 253 O HOH A 85 -24.663 28.504 71.308 1.00 0.00 O +HETATM 254 H1 HOH A 85 -24.138 27.876 70.812 1.00 0.00 H +HETATM 255 H2 HOH A 85 -25.317 27.968 71.756 1.00 0.00 H +HETATM 256 O HOH A 86 -26.866 38.009 25.544 1.00 0.00 O +HETATM 257 H1 HOH A 86 -26.648 37.161 25.931 1.00 0.00 H +HETATM 258 H2 HOH A 86 -26.020 38.443 25.426 1.00 0.00 H +HETATM 259 O HOH A 87 -16.595 -7.335 -33.326 1.00 0.00 O +HETATM 260 H1 HOH A 87 -15.960 -7.613 -33.987 1.00 0.00 H +HETATM 261 H2 HOH A 87 -17.019 -8.146 -33.045 1.00 0.00 H +HETATM 262 O HOH A 88 8.848 -9.416 -53.124 1.00 0.00 O +HETATM 263 H1 HOH A 88 9.459 -9.413 -52.387 1.00 0.00 H +HETATM 264 H2 HOH A 88 7.983 -9.355 -52.719 1.00 0.00 H +HETATM 265 O HOH A 89 87.105 41.571 5.305 1.00 0.00 O +HETATM 266 H1 HOH A 89 87.393 40.912 5.938 1.00 0.00 H +HETATM 267 H2 HOH A 89 86.906 41.072 4.513 1.00 0.00 H +HETATM 268 O HOH A 90 96.099 -60.284 31.884 1.00 0.00 O +HETATM 269 H1 HOH A 90 96.883 -60.050 32.382 1.00 0.00 H +HETATM 270 H2 HOH A 90 96.427 -60.803 31.149 1.00 0.00 H +HETATM 271 O HOH A 91 -14.845 73.276 75.052 1.00 0.00 O +HETATM 272 H1 HOH A 91 -14.744 72.590 75.712 1.00 0.00 H +HETATM 273 H2 HOH A 91 -14.371 72.947 74.289 1.00 0.00 H +HETATM 274 O HOH A 92 0.861 68.329 -22.755 1.00 0.00 O +HETATM 275 H1 HOH A 92 1.572 68.190 -22.130 1.00 0.00 H +HETATM 276 H2 HOH A 92 0.542 69.211 -22.565 1.00 0.00 H +HETATM 277 O HOH A 93 37.548 0.627 -4.502 1.00 0.00 O +HETATM 278 H1 HOH A 93 38.008 0.471 -5.326 1.00 0.00 H +HETATM 279 H2 HOH A 93 36.732 1.056 -4.759 1.00 0.00 H +HETATM 280 O HOH A 94 -35.459 44.877 -0.451 1.00 0.00 O +HETATM 281 H1 HOH A 94 -34.686 44.314 -0.413 1.00 0.00 H +HETATM 282 H2 HOH A 94 -35.446 45.360 0.375 1.00 0.00 H +HETATM 283 O HOH A 95 -26.057 173.989 69.740 1.00 0.00 O +HETATM 284 H1 HOH A 95 -25.590 173.916 68.907 1.00 0.00 H +HETATM 285 H2 HOH A 95 -25.396 173.796 70.404 1.00 0.00 H +HETATM 286 O HOH A 96 50.133 -43.101 98.327 1.00 0.00 O +HETATM 287 H1 HOH A 96 49.737 -43.917 98.021 1.00 0.00 H +HETATM 288 H2 HOH A 96 50.948 -43.374 98.748 1.00 0.00 H +HETATM 289 O HOH A 97 -56.900 98.179 164.153 1.00 0.00 O +HETATM 290 H1 HOH A 97 -56.125 98.497 164.617 1.00 0.00 H +HETATM 291 H2 HOH A 97 -57.306 98.968 163.795 1.00 0.00 H +HETATM 292 O HOH A 98 0.054 172.163 -14.023 1.00 0.00 O +HETATM 293 H1 HOH A 98 0.307 171.240 -14.052 1.00 0.00 H +HETATM 294 H2 HOH A 98 0.515 172.561 -14.761 1.00 0.00 H +HETATM 295 O HOH A 99 34.796 39.859 -13.863 1.00 0.00 O +HETATM 296 H1 HOH A 99 34.282 40.216 -13.138 1.00 0.00 H +HETATM 297 H2 HOH A 99 35.706 40.024 -13.616 1.00 0.00 H +HETATM 298 O HOH A 100 -37.991 41.241 -22.026 1.00 0.00 O +HETATM 299 H1 HOH A 100 -37.269 40.681 -21.740 1.00 0.00 H +HETATM 300 H2 HOH A 100 -38.437 40.730 -22.701 1.00 0.00 H +HETATM 301 O HOH A 101 71.290 -1.531 22.850 1.00 0.00 O +HETATM 302 H1 HOH A 101 71.648 -1.612 23.734 1.00 0.00 H +HETATM 303 H2 HOH A 101 71.747 -0.779 22.474 1.00 0.00 H +HETATM 304 O HOH A 102 46.799 73.211 23.194 1.00 0.00 O +HETATM 305 H1 HOH A 102 46.904 74.073 22.791 1.00 0.00 H +HETATM 306 H2 HOH A 102 47.228 73.291 24.046 1.00 0.00 H +HETATM 307 O HOH A 103 57.343 67.501 -11.399 1.00 0.00 O +HETATM 308 H1 HOH A 103 57.639 67.566 -10.491 1.00 0.00 H +HETATM 309 H2 HOH A 103 57.625 68.321 -11.803 1.00 0.00 H +HETATM 310 O HOH A 104 3.747 25.499 46.052 1.00 0.00 O +HETATM 311 H1 HOH A 104 3.230 24.770 45.710 1.00 0.00 H +HETATM 312 H2 HOH A 104 3.995 26.002 45.276 1.00 0.00 H +HETATM 313 O HOH A 105 -1.016 -27.438 22.564 1.00 0.00 O +HETATM 314 H1 HOH A 105 -1.594 -27.736 23.267 1.00 0.00 H +HETATM 315 H2 HOH A 105 -0.135 -27.511 22.929 1.00 0.00 H +HETATM 316 O HOH A 106 -6.757 45.136 79.509 1.00 0.00 O +HETATM 317 H1 HOH A 106 -7.569 44.808 79.894 1.00 0.00 H +HETATM 318 H2 HOH A 106 -6.078 44.891 80.138 1.00 0.00 H +HETATM 319 O HOH A 107 60.841 13.949 -3.406 1.00 0.00 O +HETATM 320 H1 HOH A 107 61.421 14.564 -3.855 1.00 0.00 H +HETATM 321 H2 HOH A 107 60.249 13.635 -4.089 1.00 0.00 H +HETATM 322 O HOH A 108 34.847 42.754 4.019 1.00 0.00 O +HETATM 323 H1 HOH A 108 34.413 41.998 3.623 1.00 0.00 H +HETATM 324 H2 HOH A 108 34.243 43.048 4.700 1.00 0.00 H +HETATM 325 O HOH A 109 7.975 14.150 45.494 1.00 0.00 O +HETATM 326 H1 HOH A 109 8.907 14.314 45.347 1.00 0.00 H +HETATM 327 H2 HOH A 109 7.860 14.251 46.439 1.00 0.00 H +HETATM 328 O HOH A 110 -46.206 15.555 66.057 1.00 0.00 O +HETATM 329 H1 HOH A 110 -46.837 14.878 66.304 1.00 0.00 H +HETATM 330 H2 HOH A 110 -45.469 15.425 66.652 1.00 0.00 H +HETATM 331 O HOH A 111 58.273 21.588 23.446 1.00 0.00 O +HETATM 332 H1 HOH A 111 57.597 22.064 23.927 1.00 0.00 H +HETATM 333 H2 HOH A 111 58.145 21.847 22.533 1.00 0.00 H +HETATM 334 O HOH A 112 -17.085 75.333 -41.348 1.00 0.00 O +HETATM 335 H1 HOH A 112 -17.057 75.880 -40.564 1.00 0.00 H +HETATM 336 H2 HOH A 112 -17.456 74.503 -41.049 1.00 0.00 H +HETATM 337 O HOH A 113 113.522 89.950 49.824 1.00 0.00 O +HETATM 338 H1 HOH A 113 114.365 90.192 49.440 1.00 0.00 H +HETATM 339 H2 HOH A 113 113.743 89.320 50.510 1.00 0.00 H +HETATM 340 O HOH A 114 -14.554 158.285 104.950 1.00 0.00 O +HETATM 341 H1 HOH A 114 -14.599 158.868 104.191 1.00 0.00 H +HETATM 342 H2 HOH A 114 -14.698 158.859 105.702 1.00 0.00 H +HETATM 343 O HOH A 115 -2.143 14.175 -29.601 1.00 0.00 O +HETATM 344 H1 HOH A 115 -2.151 14.712 -28.808 1.00 0.00 H +HETATM 345 H2 HOH A 115 -1.242 14.229 -29.918 1.00 0.00 H +HETATM 346 O HOH A 116 1.993 31.804 42.765 1.00 0.00 O +HETATM 347 H1 HOH A 116 2.073 31.075 42.148 1.00 0.00 H +HETATM 348 H2 HOH A 116 2.878 32.163 42.826 1.00 0.00 H +HETATM 349 O HOH A 117 -73.488 104.337 111.622 1.00 0.00 O +HETATM 350 H1 HOH A 117 -74.208 104.945 111.790 1.00 0.00 H +HETATM 351 H2 HOH A 117 -73.908 103.567 111.241 1.00 0.00 H +HETATM 352 O HOH A 118 -71.964 100.221 2.894 1.00 0.00 O +HETATM 353 H1 HOH A 118 -72.891 100.182 2.661 1.00 0.00 H +HETATM 354 H2 HOH A 118 -71.701 99.305 2.983 1.00 0.00 H +HETATM 355 O HOH A 119 -11.372 25.137 75.609 1.00 0.00 O +HETATM 356 H1 HOH A 119 -11.165 25.224 74.678 1.00 0.00 H +HETATM 357 H2 HOH A 119 -10.989 24.298 75.863 1.00 0.00 H +HETATM 358 O HOH A 120 64.674 102.860 27.628 1.00 0.00 O +HETATM 359 H1 HOH A 120 64.133 103.510 27.180 1.00 0.00 H +HETATM 360 H2 HOH A 120 65.135 103.356 28.304 1.00 0.00 H +HETATM 361 O HOH A 121 51.130 13.298 59.670 1.00 0.00 O +HETATM 362 H1 HOH A 121 51.297 12.357 59.709 1.00 0.00 H +HETATM 363 H2 HOH A 121 51.865 13.651 59.168 1.00 0.00 H +HETATM 364 O HOH A 122 7.962 14.752 -21.986 1.00 0.00 O +HETATM 365 H1 HOH A 122 7.244 15.356 -21.795 1.00 0.00 H +HETATM 366 H2 HOH A 122 8.486 15.204 -22.647 1.00 0.00 H +HETATM 367 O HOH A 123 80.217 41.554 10.470 1.00 0.00 O +HETATM 368 H1 HOH A 123 79.482 40.944 10.523 1.00 0.00 H +HETATM 369 H2 HOH A 123 80.812 41.274 11.166 1.00 0.00 H +HETATM 370 O HOH A 124 -20.026 53.030 -26.013 1.00 0.00 O +HETATM 371 H1 HOH A 124 -19.738 52.287 -26.542 1.00 0.00 H +HETATM 372 H2 HOH A 124 -20.794 52.706 -25.542 1.00 0.00 H +HETATM 373 O HOH A 125 -1.221 55.088 12.312 1.00 0.00 O +HETATM 374 H1 HOH A 125 -0.618 54.433 12.663 1.00 0.00 H +HETATM 375 H2 HOH A 125 -0.855 55.927 12.592 1.00 0.00 H +HETATM 376 O HOH A 126 -2.458 28.857 -25.496 1.00 0.00 O +HETATM 377 H1 HOH A 126 -2.568 28.830 -26.446 1.00 0.00 H +HETATM 378 H2 HOH A 126 -2.847 28.039 -25.186 1.00 0.00 H +HETATM 379 O HOH A 127 20.651 28.742 33.480 1.00 0.00 O +HETATM 380 H1 HOH A 127 19.786 28.430 33.748 1.00 0.00 H +HETATM 381 H2 HOH A 127 21.215 28.561 34.232 1.00 0.00 H +HETATM 382 O HOH A 128 98.831 -22.988 56.345 1.00 0.00 O +HETATM 383 H1 HOH A 128 99.525 -23.453 56.812 1.00 0.00 H +HETATM 384 H2 HOH A 128 98.019 -23.327 56.720 1.00 0.00 H +HETATM 385 O HOH A 129 -3.515 26.515 54.750 1.00 0.00 O +HETATM 386 H1 HOH A 129 -3.739 25.763 54.202 1.00 0.00 H +HETATM 387 H2 HOH A 129 -4.224 26.565 55.391 1.00 0.00 H +HETATM 388 O HOH A 130 -16.260 50.438 1.087 1.00 0.00 O +HETATM 389 H1 HOH A 130 -15.821 51.138 0.603 1.00 0.00 H +HETATM 390 H2 HOH A 130 -15.653 50.217 1.793 1.00 0.00 H +HETATM 391 O HOH A 131 -27.640 51.689 -89.536 1.00 0.00 O +HETATM 392 H1 HOH A 131 -26.825 51.338 -89.176 1.00 0.00 H +HETATM 393 H2 HOH A 131 -27.919 52.349 -88.902 1.00 0.00 H +HETATM 394 O HOH A 132 -0.035 66.751 69.936 1.00 0.00 O +HETATM 395 H1 HOH A 132 0.170 66.513 69.032 1.00 0.00 H +HETATM 396 H2 HOH A 132 0.188 65.972 70.445 1.00 0.00 H +HETATM 397 O HOH A 133 25.188 96.407 -6.307 1.00 0.00 O +HETATM 398 H1 HOH A 133 25.501 95.663 -6.822 1.00 0.00 H +HETATM 399 H2 HOH A 133 24.308 96.577 -6.642 1.00 0.00 H +HETATM 400 O HOH A 134 -53.289 30.513 66.646 1.00 0.00 O +HETATM 401 H1 HOH A 134 -53.448 31.394 66.983 1.00 0.00 H +HETATM 402 H2 HOH A 134 -54.148 30.212 66.347 1.00 0.00 H +HETATM 403 O HOH A 135 45.634 62.519 -0.815 1.00 0.00 O +HETATM 404 H1 HOH A 135 45.357 62.055 -0.025 1.00 0.00 H +HETATM 405 H2 HOH A 135 45.441 61.912 -1.529 1.00 0.00 H +HETATM 406 O HOH A 136 65.370 52.452 77.392 1.00 0.00 O +HETATM 407 H1 HOH A 136 65.875 51.675 77.630 1.00 0.00 H +HETATM 408 H2 HOH A 136 66.030 53.121 77.211 1.00 0.00 H +HETATM 409 O HOH A 137 71.182 10.367 -59.668 1.00 0.00 O +HETATM 410 H1 HOH A 137 71.721 9.594 -59.499 1.00 0.00 H +HETATM 411 H2 HOH A 137 71.592 10.784 -60.426 1.00 0.00 H +HETATM 412 O HOH A 138 39.943 17.077 73.311 1.00 0.00 O +HETATM 413 H1 HOH A 138 39.503 16.668 74.057 1.00 0.00 H +HETATM 414 H2 HOH A 138 40.855 17.161 73.588 1.00 0.00 H +HETATM 415 O HOH A 139 -43.590 83.278 -5.548 1.00 0.00 O +HETATM 416 H1 HOH A 139 -43.310 83.167 -6.457 1.00 0.00 H +HETATM 417 H2 HOH A 139 -43.944 82.424 -5.300 1.00 0.00 H +HETATM 418 O HOH A 140 13.626 -17.695 87.670 1.00 0.00 O +HETATM 419 H1 HOH A 140 12.674 -17.793 87.651 1.00 0.00 H +HETATM 420 H2 HOH A 140 13.890 -18.078 88.507 1.00 0.00 H +HETATM 421 O HOH A 141 11.210 -13.763 -22.017 1.00 0.00 O +HETATM 422 H1 HOH A 141 10.378 -14.149 -22.289 1.00 0.00 H +HETATM 423 H2 HOH A 141 11.056 -13.468 -21.119 1.00 0.00 H +HETATM 424 O HOH A 142 23.834 42.974 33.120 1.00 0.00 O +HETATM 425 H1 HOH A 142 22.919 42.720 33.007 1.00 0.00 H +HETATM 426 H2 HOH A 142 23.859 43.414 33.970 1.00 0.00 H +HETATM 427 O HOH A 143 -7.776 -1.310 -22.818 1.00 0.00 O +HETATM 428 H1 HOH A 143 -6.957 -1.323 -22.323 1.00 0.00 H +HETATM 429 H2 HOH A 143 -8.040 -2.229 -22.869 1.00 0.00 H +HETATM 430 O HOH A 144 15.007 74.697 43.404 1.00 0.00 O +HETATM 431 H1 HOH A 144 14.406 73.988 43.174 1.00 0.00 H +HETATM 432 H2 HOH A 144 15.191 74.563 44.334 1.00 0.00 H +HETATM 433 O HOH A 145 12.366 59.941 94.118 1.00 0.00 O +HETATM 434 H1 HOH A 145 12.255 59.462 94.940 1.00 0.00 H +HETATM 435 H2 HOH A 145 12.212 59.287 93.436 1.00 0.00 H +HETATM 436 O HOH A 146 -6.640 14.609 -1.166 1.00 0.00 O +HETATM 437 H1 HOH A 146 -6.423 15.315 -0.557 1.00 0.00 H +HETATM 438 H2 HOH A 146 -5.799 14.198 -1.365 1.00 0.00 H +HETATM 439 O HOH A 147 64.337 7.145 24.112 1.00 0.00 O +HETATM 440 H1 HOH A 147 64.536 8.004 23.739 1.00 0.00 H +HETATM 441 H2 HOH A 147 63.743 6.740 23.479 1.00 0.00 H +HETATM 442 O HOH A 148 -3.367 39.989 -1.996 1.00 0.00 O +HETATM 443 H1 HOH A 148 -3.505 40.851 -1.604 1.00 0.00 H +HETATM 444 H2 HOH A 148 -2.775 40.151 -2.730 1.00 0.00 H +HETATM 445 O HOH A 149 -27.965 38.359 -27.258 1.00 0.00 O +HETATM 446 H1 HOH A 149 -27.034 38.212 -27.088 1.00 0.00 H +HETATM 447 H2 HOH A 149 -28.084 38.107 -28.174 1.00 0.00 H +HETATM 448 O HOH A 150 102.715 145.068 108.199 1.00 0.00 O +HETATM 449 H1 HOH A 150 103.571 145.488 108.121 1.00 0.00 H +HETATM 450 H2 HOH A 150 102.618 144.567 107.389 1.00 0.00 H +HETATM 451 O HOH A 151 96.830 76.390 -36.010 1.00 0.00 O +HETATM 452 H1 HOH A 151 96.022 76.029 -36.374 1.00 0.00 H +HETATM 453 H2 HOH A 151 97.120 75.737 -35.373 1.00 0.00 H +HETATM 454 O HOH A 152 38.734 63.355 -24.453 1.00 0.00 O +HETATM 455 H1 HOH A 152 38.934 64.222 -24.098 1.00 0.00 H +HETATM 456 H2 HOH A 152 37.801 63.391 -24.661 1.00 0.00 H +HETATM 457 O HOH A 153 54.836 64.233 1.823 1.00 0.00 O +HETATM 458 H1 HOH A 153 54.798 63.601 2.541 1.00 0.00 H +HETATM 459 H2 HOH A 153 55.736 64.558 1.837 1.00 0.00 H +HETATM 460 O HOH A 154 -69.367 36.280 66.967 1.00 0.00 O +HETATM 461 H1 HOH A 154 -68.848 35.481 67.066 1.00 0.00 H +HETATM 462 H2 HOH A 154 -70.259 36.016 67.190 1.00 0.00 H +HETATM 463 O HOH A 155 45.909 -1.578 99.736 1.00 0.00 O +HETATM 464 H1 HOH A 155 46.845 -1.607 99.930 1.00 0.00 H +HETATM 465 H2 HOH A 155 45.509 -2.139 100.400 1.00 0.00 H +HETATM 466 O HOH A 156 11.740 128.258 -3.562 1.00 0.00 O +HETATM 467 H1 HOH A 156 12.452 128.118 -4.187 1.00 0.00 H +HETATM 468 H2 HOH A 156 11.247 127.438 -3.573 1.00 0.00 H +HETATM 469 O HOH A 157 -150.256 67.797 36.806 1.00 0.00 O +HETATM 470 H1 HOH A 157 -150.571 67.006 37.242 1.00 0.00 H +HETATM 471 H2 HOH A 157 -149.843 67.480 36.003 1.00 0.00 H +HETATM 472 O HOH A 158 -12.401 48.677 43.982 1.00 0.00 O +HETATM 473 H1 HOH A 158 -12.425 48.144 44.776 1.00 0.00 H +HETATM 474 H2 HOH A 158 -12.034 49.514 44.266 1.00 0.00 H +HETATM 475 O HOH A 159 43.342 13.194 -20.102 1.00 0.00 O +HETATM 476 H1 HOH A 159 44.063 13.183 -20.732 1.00 0.00 H +HETATM 477 H2 HOH A 159 43.677 13.700 -19.362 1.00 0.00 H +HETATM 478 O HOH A 160 -38.925 34.139 28.179 1.00 0.00 O +HETATM 479 H1 HOH A 160 -39.320 33.990 27.320 1.00 0.00 H +HETATM 480 H2 HOH A 160 -38.178 34.712 28.004 1.00 0.00 H +HETATM 481 O HOH A 161 45.341 107.332 -70.414 1.00 0.00 O +HETATM 482 H1 HOH A 161 45.024 107.729 -71.225 1.00 0.00 H +HETATM 483 H2 HOH A 161 45.805 108.039 -69.966 1.00 0.00 H +HETATM 484 O HOH A 162 73.318 168.429 47.141 1.00 0.00 O +HETATM 485 H1 HOH A 162 73.498 168.887 47.962 1.00 0.00 H +HETATM 486 H2 HOH A 162 73.658 167.545 47.281 1.00 0.00 H +HETATM 487 O HOH A 163 -23.933 -0.228 42.346 1.00 0.00 O +HETATM 488 H1 HOH A 163 -24.638 0.199 42.833 1.00 0.00 H +HETATM 489 H2 HOH A 163 -23.427 -0.692 43.013 1.00 0.00 H +HETATM 490 O HOH A 164 -128.460 3.062 52.493 1.00 0.00 O +HETATM 491 H1 HOH A 164 -128.840 2.199 52.661 1.00 0.00 H +HETATM 492 H2 HOH A 164 -127.738 3.132 53.117 1.00 0.00 H +HETATM 493 O HOH A 165 -46.841 85.152 113.268 1.00 0.00 O +HETATM 494 H1 HOH A 165 -47.365 84.353 113.211 1.00 0.00 H +HETATM 495 H2 HOH A 165 -46.030 84.940 112.806 1.00 0.00 H +HETATM 496 O HOH A 166 -58.517 85.725 27.870 1.00 0.00 O +HETATM 497 H1 HOH A 166 -58.477 85.888 26.927 1.00 0.00 H +HETATM 498 H2 HOH A 166 -57.613 85.819 28.168 1.00 0.00 H +HETATM 499 O HOH A 167 2.745 6.436 141.659 1.00 0.00 O +HETATM 500 H1 HOH A 167 2.472 7.094 141.020 1.00 0.00 H +HETATM 501 H2 HOH A 167 2.682 5.604 141.190 1.00 0.00 H +HETATM 502 O HOH A 168 -49.521 9.677 41.338 1.00 0.00 O +HETATM 503 H1 HOH A 168 -49.212 10.266 42.027 1.00 0.00 H +HETATM 504 H2 HOH A 168 -49.120 10.015 40.537 1.00 0.00 H +HETATM 505 O HOH A 169 21.593 28.132 80.346 1.00 0.00 O +HETATM 506 H1 HOH A 169 22.055 28.251 79.516 1.00 0.00 H +HETATM 507 H2 HOH A 169 21.105 28.946 80.468 1.00 0.00 H +HETATM 508 O HOH A 170 46.593 109.751 -0.646 1.00 0.00 O +HETATM 509 H1 HOH A 170 46.561 108.804 -0.782 1.00 0.00 H +HETATM 510 H2 HOH A 170 46.854 109.853 0.269 1.00 0.00 H +HETATM 511 O HOH A 171 -36.399 -50.731 -21.055 1.00 0.00 O +HETATM 512 H1 HOH A 171 -35.952 -50.386 -21.828 1.00 0.00 H +HETATM 513 H2 HOH A 171 -36.147 -50.138 -20.347 1.00 0.00 H +HETATM 514 O HOH A 172 61.541 123.357 -2.279 1.00 0.00 O +HETATM 515 H1 HOH A 172 61.930 123.637 -1.451 1.00 0.00 H +HETATM 516 H2 HOH A 172 61.142 122.510 -2.082 1.00 0.00 H +HETATM 517 O HOH A 173 19.521 78.147 -13.270 1.00 0.00 O +HETATM 518 H1 HOH A 173 19.054 78.882 -13.668 1.00 0.00 H +HETATM 519 H2 HOH A 173 20.435 78.280 -13.522 1.00 0.00 H +HETATM 520 O HOH A 174 -24.416 69.624 22.335 1.00 0.00 O +HETATM 521 H1 HOH A 174 -23.801 69.730 23.061 1.00 0.00 H +HETATM 522 H2 HOH A 174 -24.054 68.906 21.816 1.00 0.00 H +HETATM 523 O HOH A 175 -98.283 54.547 43.070 1.00 0.00 O +HETATM 524 H1 HOH A 175 -97.889 53.683 42.950 1.00 0.00 H +HETATM 525 H2 HOH A 175 -98.822 54.675 42.289 1.00 0.00 H +HETATM 526 O HOH A 176 -6.502 96.051 0.502 1.00 0.00 O +HETATM 527 H1 HOH A 176 -6.570 96.162 1.450 1.00 0.00 H +HETATM 528 H2 HOH A 176 -5.756 96.594 0.249 1.00 0.00 H +HETATM 529 O HOH A 177 28.388 7.219 48.802 1.00 0.00 O +HETATM 530 H1 HOH A 177 28.074 6.906 47.953 1.00 0.00 H +HETATM 531 H2 HOH A 177 27.923 8.045 48.940 1.00 0.00 H +HETATM 532 O HOH A 178 80.921 83.161 6.420 1.00 0.00 O +HETATM 533 H1 HOH A 178 80.161 83.626 6.769 1.00 0.00 H +HETATM 534 H2 HOH A 178 81.211 82.601 7.141 1.00 0.00 H +HETATM 535 O HOH A 179 45.053 55.459 37.194 1.00 0.00 O +HETATM 536 H1 HOH A 179 44.176 55.347 37.561 1.00 0.00 H +HETATM 537 H2 HOH A 179 45.065 54.892 36.423 1.00 0.00 H +HETATM 538 O HOH A 180 -47.985 93.511 51.084 1.00 0.00 O +HETATM 539 H1 HOH A 180 -47.508 93.216 51.860 1.00 0.00 H +HETATM 540 H2 HOH A 180 -47.364 94.072 50.620 1.00 0.00 H +HETATM 541 O HOH A 181 -15.966 9.060 86.288 1.00 0.00 O +HETATM 542 H1 HOH A 181 -16.551 8.951 87.038 1.00 0.00 H +HETATM 543 H2 HOH A 181 -16.383 8.562 85.585 1.00 0.00 H +HETATM 544 O HOH A 182 -4.263 32.417 -58.253 1.00 0.00 O +HETATM 545 H1 HOH A 182 -4.837 33.117 -57.941 1.00 0.00 H +HETATM 546 H2 HOH A 182 -4.382 31.709 -57.620 1.00 0.00 H +HETATM 547 O HOH A 183 -8.877 61.190 47.554 1.00 0.00 O +HETATM 548 H1 HOH A 183 -9.622 60.623 47.354 1.00 0.00 H +HETATM 549 H2 HOH A 183 -9.217 61.815 48.194 1.00 0.00 H +HETATM 550 O HOH A 184 -30.348 39.474 -21.931 1.00 0.00 O +HETATM 551 H1 HOH A 184 -31.222 39.202 -22.211 1.00 0.00 H +HETATM 552 H2 HOH A 184 -29.752 38.916 -22.431 1.00 0.00 H +HETATM 553 O HOH A 185 23.067 59.546 -0.448 1.00 0.00 O +HETATM 554 H1 HOH A 185 22.834 58.623 -0.356 1.00 0.00 H +HETATM 555 H2 HOH A 185 22.572 59.988 0.242 1.00 0.00 H +HETATM 556 O HOH A 186 -30.400 115.086 15.457 1.00 0.00 O +HETATM 557 H1 HOH A 186 -30.465 115.460 14.578 1.00 0.00 H +HETATM 558 H2 HOH A 186 -29.466 115.116 15.663 1.00 0.00 H +HETATM 559 O HOH A 187 34.881 121.792 11.672 1.00 0.00 O +HETATM 560 H1 HOH A 187 34.461 122.475 11.149 1.00 0.00 H +HETATM 561 H2 HOH A 187 35.785 121.769 11.358 1.00 0.00 H +HETATM 562 O HOH A 188 -4.216 71.781 -26.526 1.00 0.00 O +HETATM 563 H1 HOH A 188 -4.566 71.061 -27.049 1.00 0.00 H +HETATM 564 H2 HOH A 188 -4.275 71.472 -25.622 1.00 0.00 H +HETATM 565 O HOH A 189 20.283 39.203 36.312 1.00 0.00 O +HETATM 566 H1 HOH A 189 19.420 39.419 35.960 1.00 0.00 H +HETATM 567 H2 HOH A 189 20.203 38.295 36.604 1.00 0.00 H +HETATM 568 O HOH A 190 55.192 34.599 71.668 1.00 0.00 O +HETATM 569 H1 HOH A 190 56.142 34.708 71.621 1.00 0.00 H +HETATM 570 H2 HOH A 190 55.067 33.697 71.963 1.00 0.00 H +HETATM 571 O HOH A 191 -77.140 -19.556 33.926 1.00 0.00 O +HETATM 572 H1 HOH A 191 -76.776 -20.345 33.523 1.00 0.00 H +HETATM 573 H2 HOH A 191 -77.393 -19.831 34.807 1.00 0.00 H +HETATM 574 O HOH A 192 -52.018 54.331 -31.106 1.00 0.00 O +HETATM 575 H1 HOH A 192 -52.915 54.415 -30.784 1.00 0.00 H +HETATM 576 H2 HOH A 192 -51.491 54.207 -30.317 1.00 0.00 H +HETATM 577 O HOH A 193 6.679 72.109 53.539 1.00 0.00 O +HETATM 578 H1 HOH A 193 6.536 71.177 53.376 1.00 0.00 H +HETATM 579 H2 HOH A 193 7.503 72.143 54.025 1.00 0.00 H +HETATM 580 O HOH A 194 51.021 -58.150 78.050 1.00 0.00 O +HETATM 581 H1 HOH A 194 50.494 -57.801 78.769 1.00 0.00 H +HETATM 582 H2 HOH A 194 50.577 -58.960 77.799 1.00 0.00 H +HETATM 583 O HOH A 195 63.184 21.636 -16.145 1.00 0.00 O +HETATM 584 H1 HOH A 195 63.306 22.536 -15.843 1.00 0.00 H +HETATM 585 H2 HOH A 195 62.405 21.331 -15.681 1.00 0.00 H +HETATM 586 O HOH A 196 39.285 -15.848 48.532 1.00 0.00 O +HETATM 587 H1 HOH A 196 39.669 -16.638 48.914 1.00 0.00 H +HETATM 588 H2 HOH A 196 39.975 -15.188 48.602 1.00 0.00 H +HETATM 589 O HOH A 197 92.652 77.499 29.233 1.00 0.00 O +HETATM 590 H1 HOH A 197 91.791 77.887 29.076 1.00 0.00 H +HETATM 591 H2 HOH A 197 92.470 76.579 29.422 1.00 0.00 H +HETATM 592 O HOH A 198 -64.913 18.504 -46.345 1.00 0.00 O +HETATM 593 H1 HOH A 198 -64.801 17.751 -45.766 1.00 0.00 H +HETATM 594 H2 HOH A 198 -64.029 18.705 -46.653 1.00 0.00 H +HETATM 595 O HOH A 199 44.360 60.487 -42.083 1.00 0.00 O +HETATM 596 H1 HOH A 199 43.885 60.241 -41.289 1.00 0.00 H +HETATM 597 H2 HOH A 199 45.105 59.887 -42.113 1.00 0.00 H +HETATM 598 O HOH A 200 -39.767 75.016 79.937 1.00 0.00 O +HETATM 599 H1 HOH A 200 -40.331 74.446 79.415 1.00 0.00 H +HETATM 600 H2 HOH A 200 -40.350 75.707 80.252 1.00 0.00 H +HETATM 601 O HOH A 201 -0.483 39.704 -26.878 1.00 0.00 O +HETATM 602 H1 HOH A 201 0.162 39.556 -26.186 1.00 0.00 H +HETATM 603 H2 HOH A 201 -0.273 39.050 -27.545 1.00 0.00 H +HETATM 604 O HOH A 202 53.228 -31.456 0.002 1.00 0.00 O +HETATM 605 H1 HOH A 202 54.151 -31.532 0.244 1.00 0.00 H +HETATM 606 H2 HOH A 202 52.946 -32.358 -0.150 1.00 0.00 H +HETATM 607 O HOH A 203 40.795 -6.935 -60.254 1.00 0.00 O +HETATM 608 H1 HOH A 203 40.666 -6.569 -61.128 1.00 0.00 H +HETATM 609 H2 HOH A 203 41.743 -7.037 -60.173 1.00 0.00 H +HETATM 610 O HOH A 204 44.284 54.026 -17.666 1.00 0.00 O +HETATM 611 H1 HOH A 204 44.276 54.966 -17.481 1.00 0.00 H +HETATM 612 H2 HOH A 204 44.962 53.674 -17.090 1.00 0.00 H +HETATM 613 O HOH A 205 69.139 16.712 -76.822 1.00 0.00 O +HETATM 614 H1 HOH A 205 69.040 16.969 -77.739 1.00 0.00 H +HETATM 615 H2 HOH A 205 69.828 17.285 -76.485 1.00 0.00 H +HETATM 616 O HOH A 206 1.111 -8.962 31.895 1.00 0.00 O +HETATM 617 H1 HOH A 206 2.050 -9.035 31.727 1.00 0.00 H +HETATM 618 H2 HOH A 206 0.896 -9.743 32.406 1.00 0.00 H +HETATM 619 O HOH A 207 4.968 40.757 21.268 1.00 0.00 O +HETATM 620 H1 HOH A 207 4.345 41.010 21.949 1.00 0.00 H +HETATM 621 H2 HOH A 207 4.507 40.094 20.755 1.00 0.00 H +HETATM 622 O HOH A 208 47.507 46.792 41.708 1.00 0.00 O +HETATM 623 H1 HOH A 208 48.388 46.956 41.371 1.00 0.00 H +HETATM 624 H2 HOH A 208 47.232 47.630 42.079 1.00 0.00 H +HETATM 625 O HOH A 209 -40.314 -20.529 42.158 1.00 0.00 O +HETATM 626 H1 HOH A 209 -40.564 -21.308 42.655 1.00 0.00 H +HETATM 627 H2 HOH A 209 -40.413 -19.807 42.779 1.00 0.00 H +HETATM 628 O HOH A 210 -85.928 102.959 57.096 1.00 0.00 O +HETATM 629 H1 HOH A 210 -85.727 103.676 57.697 1.00 0.00 H +HETATM 630 H2 HOH A 210 -86.854 102.771 57.248 1.00 0.00 H +HETATM 631 O HOH A 211 26.747 45.271 58.075 1.00 0.00 O +HETATM 632 H1 HOH A 211 27.076 45.204 57.179 1.00 0.00 H +HETATM 633 H2 HOH A 211 26.715 44.367 58.387 1.00 0.00 H +HETATM 634 O HOH A 212 29.971 10.410 -5.493 1.00 0.00 O +HETATM 635 H1 HOH A 212 30.680 10.420 -4.850 1.00 0.00 H +HETATM 636 H2 HOH A 212 29.509 11.237 -5.353 1.00 0.00 H +HETATM 637 O HOH A 213 74.662 91.866 18.385 1.00 0.00 O +HETATM 638 H1 HOH A 213 74.794 91.937 19.330 1.00 0.00 H +HETATM 639 H2 HOH A 213 74.952 90.980 18.168 1.00 0.00 H +HETATM 640 O HOH A 214 70.272 41.367 -15.041 1.00 0.00 O +HETATM 641 H1 HOH A 214 69.329 41.341 -14.881 1.00 0.00 H +HETATM 642 H2 HOH A 214 70.664 41.330 -14.168 1.00 0.00 H +HETATM 643 O HOH A 215 -7.854 124.457 87.861 1.00 0.00 O +HETATM 644 H1 HOH A 215 -7.902 124.094 88.746 1.00 0.00 H +HETATM 645 H2 HOH A 215 -6.947 124.748 87.770 1.00 0.00 H +HETATM 646 O HOH A 216 38.312 -10.327 90.471 1.00 0.00 O +HETATM 647 H1 HOH A 216 39.030 -9.695 90.431 1.00 0.00 H +HETATM 648 H2 HOH A 216 38.745 -11.179 90.525 1.00 0.00 H +HETATM 649 O HOH A 217 46.764 84.136 -10.131 1.00 0.00 O +HETATM 650 H1 HOH A 217 47.122 84.989 -10.379 1.00 0.00 H +HETATM 651 H2 HOH A 217 46.435 84.264 -9.241 1.00 0.00 H +HETATM 652 O HOH A 218 -58.367 90.086 84.686 1.00 0.00 O +HETATM 653 H1 HOH A 218 -57.902 90.533 83.979 1.00 0.00 H +HETATM 654 H2 HOH A 218 -58.073 89.177 84.630 1.00 0.00 H +HETATM 655 O HOH A 219 -67.935 88.128 24.834 1.00 0.00 O +HETATM 656 H1 HOH A 219 -68.764 88.356 24.412 1.00 0.00 H +HETATM 657 H2 HOH A 219 -68.182 87.861 25.719 1.00 0.00 H +HETATM 658 O HOH A 220 92.733 108.272 34.046 1.00 0.00 O +HETATM 659 H1 HOH A 220 93.509 108.433 33.510 1.00 0.00 H +HETATM 660 H2 HOH A 220 91.999 108.534 33.491 1.00 0.00 H +HETATM 661 O HOH A 221 -61.382 53.243 -0.212 1.00 0.00 O +HETATM 662 H1 HOH A 221 -62.023 52.867 0.391 1.00 0.00 H +HETATM 663 H2 HOH A 221 -60.753 52.538 -0.365 1.00 0.00 H +HETATM 664 O HOH A 222 -57.635 28.992 68.513 1.00 0.00 O +HETATM 665 H1 HOH A 222 -58.192 29.715 68.801 1.00 0.00 H +HETATM 666 H2 HOH A 222 -58.011 28.217 68.933 1.00 0.00 H +HETATM 667 O HOH A 223 80.880 87.359 5.116 1.00 0.00 O +HETATM 668 H1 HOH A 223 80.029 87.205 4.706 1.00 0.00 H +HETATM 669 H2 HOH A 223 81.499 86.866 4.577 1.00 0.00 H +HETATM 670 O HOH A 224 -35.790 73.714 31.217 1.00 0.00 O +HETATM 671 H1 HOH A 224 -35.679 73.198 30.419 1.00 0.00 H +HETATM 672 H2 HOH A 224 -34.917 74.061 31.402 1.00 0.00 H +HETATM 673 O HOH A 225 -17.526 -2.536 119.533 1.00 0.00 O +HETATM 674 H1 HOH A 225 -17.216 -2.552 120.438 1.00 0.00 H +HETATM 675 H2 HOH A 225 -18.393 -2.940 119.569 1.00 0.00 H +HETATM 676 O HOH A 226 -27.735 49.536 31.924 1.00 0.00 O +HETATM 677 H1 HOH A 226 -28.653 49.749 32.090 1.00 0.00 H +HETATM 678 H2 HOH A 226 -27.764 48.877 31.230 1.00 0.00 H +HETATM 679 O HOH A 227 -10.743 64.842 33.407 1.00 0.00 O +HETATM 680 H1 HOH A 227 -10.329 64.000 33.217 1.00 0.00 H +HETATM 681 H2 HOH A 227 -10.367 65.444 32.765 1.00 0.00 H +HETATM 682 O HOH A 228 -58.490 42.440 13.535 1.00 0.00 O +HETATM 683 H1 HOH A 228 -58.234 41.523 13.640 1.00 0.00 H +HETATM 684 H2 HOH A 228 -59.196 42.566 14.168 1.00 0.00 H +HETATM 685 O HOH A 229 -12.525 26.388 -32.749 1.00 0.00 O +HETATM 686 H1 HOH A 229 -13.295 26.062 -33.216 1.00 0.00 H +HETATM 687 H2 HOH A 229 -11.936 25.635 -32.703 1.00 0.00 H +HETATM 688 O HOH A 230 20.040 6.216 56.009 1.00 0.00 O +HETATM 689 H1 HOH A 230 20.231 7.131 56.218 1.00 0.00 H +HETATM 690 H2 HOH A 230 20.718 5.719 56.466 1.00 0.00 H +HETATM 691 O HOH A 231 -10.180 -26.649 54.954 1.00 0.00 O +HETATM 692 H1 HOH A 231 -10.422 -25.725 54.901 1.00 0.00 H +HETATM 693 H2 HOH A 231 -10.204 -26.850 55.890 1.00 0.00 H +HETATM 694 O HOH A 232 8.947 35.233 31.184 1.00 0.00 O +HETATM 695 H1 HOH A 232 9.757 34.724 31.217 1.00 0.00 H +HETATM 696 H2 HOH A 232 9.101 35.968 31.777 1.00 0.00 H +HETATM 697 O HOH A 233 77.073 122.940 64.464 1.00 0.00 O +HETATM 698 H1 HOH A 233 76.340 123.337 63.993 1.00 0.00 H +HETATM 699 H2 HOH A 233 76.717 122.728 65.327 1.00 0.00 H +HETATM 700 O HOH A 234 65.815 14.791 111.581 1.00 0.00 O +HETATM 701 H1 HOH A 234 66.609 15.019 111.098 1.00 0.00 H +HETATM 702 H2 HOH A 234 66.059 14.020 112.093 1.00 0.00 H +HETATM 703 O HOH A 235 45.583 87.239 59.043 1.00 0.00 O +HETATM 704 H1 HOH A 235 44.826 87.318 58.462 1.00 0.00 H +HETATM 705 H2 HOH A 235 45.862 86.328 58.950 1.00 0.00 H +HETATM 706 O HOH A 236 -4.367 54.981 -31.211 1.00 0.00 O +HETATM 707 H1 HOH A 236 -3.874 55.781 -31.390 1.00 0.00 H +HETATM 708 H2 HOH A 236 -3.757 54.426 -30.727 1.00 0.00 H +HETATM 709 O HOH A 237 -34.421 108.045 61.754 1.00 0.00 O +HETATM 710 H1 HOH A 237 -33.700 108.657 61.607 1.00 0.00 H +HETATM 711 H2 HOH A 237 -34.418 107.481 60.980 1.00 0.00 H +HETATM 712 O HOH A 238 -29.242 57.823 9.854 1.00 0.00 O +HETATM 713 H1 HOH A 238 -30.102 58.068 10.195 1.00 0.00 H +HETATM 714 H2 HOH A 238 -29.431 57.352 9.043 1.00 0.00 H +HETATM 715 O HOH A 239 -51.713 29.690 -29.368 1.00 0.00 O +HETATM 716 H1 HOH A 239 -50.958 29.882 -29.924 1.00 0.00 H +HETATM 717 H2 HOH A 239 -51.391 29.815 -28.475 1.00 0.00 H +HETATM 718 O HOH A 240 -2.189 2.892 40.765 1.00 0.00 O +HETATM 719 H1 HOH A 240 -1.578 2.690 40.057 1.00 0.00 H +HETATM 720 H2 HOH A 240 -3.040 2.972 40.334 1.00 0.00 H +HETATM 721 O HOH A 241 52.537 23.851 -53.926 1.00 0.00 O +HETATM 722 H1 HOH A 241 52.754 23.546 -53.044 1.00 0.00 H +HETATM 723 H2 HOH A 241 51.749 24.381 -53.809 1.00 0.00 H +HETATM 724 O HOH A 242 46.436 7.466 73.799 1.00 0.00 O +HETATM 725 H1 HOH A 242 46.306 6.838 73.088 1.00 0.00 H +HETATM 726 H2 HOH A 242 45.775 7.231 74.450 1.00 0.00 H +HETATM 727 O HOH A 243 2.909 16.454 -47.074 1.00 0.00 O +HETATM 728 H1 HOH A 243 3.191 15.554 -47.233 1.00 0.00 H +HETATM 729 H2 HOH A 243 1.962 16.436 -47.212 1.00 0.00 H +HETATM 730 O HOH A 244 -49.261 -33.552 30.893 1.00 0.00 O +HETATM 731 H1 HOH A 244 -48.929 -32.766 31.329 1.00 0.00 H +HETATM 732 H2 HOH A 244 -49.775 -33.219 30.158 1.00 0.00 H +HETATM 733 O HOH A 245 -9.593 97.871 65.451 1.00 0.00 O +HETATM 734 H1 HOH A 245 -9.778 97.011 65.828 1.00 0.00 H +HETATM 735 H2 HOH A 245 -8.644 97.878 65.325 1.00 0.00 H +HETATM 736 O HOH A 246 -7.923 134.832 -3.616 1.00 0.00 O +HETATM 737 H1 HOH A 246 -7.607 134.583 -2.748 1.00 0.00 H +HETATM 738 H2 HOH A 246 -7.332 134.387 -4.224 1.00 0.00 H +HETATM 739 O HOH A 247 -14.733 36.500 30.015 1.00 0.00 O +HETATM 740 H1 HOH A 247 -15.434 36.410 30.662 1.00 0.00 H +HETATM 741 H2 HOH A 247 -15.048 36.016 29.251 1.00 0.00 H +HETATM 742 O HOH A 248 -18.638 21.616 4.743 1.00 0.00 O +HETATM 743 H1 HOH A 248 -19.453 21.682 4.246 1.00 0.00 H +HETATM 744 H2 HOH A 248 -18.533 22.478 5.147 1.00 0.00 H +HETATM 745 O HOH A 249 49.552 21.620 -78.143 1.00 0.00 O +HETATM 746 H1 HOH A 249 49.942 22.487 -78.037 1.00 0.00 H +HETATM 747 H2 HOH A 249 49.387 21.320 -77.249 1.00 0.00 H +HETATM 748 O HOH A 250 10.225 89.487 28.552 1.00 0.00 O +HETATM 749 H1 HOH A 250 10.785 88.750 28.795 1.00 0.00 H +HETATM 750 H2 HOH A 250 10.710 90.262 28.836 1.00 0.00 H +HETATM 751 O HOH A 251 -6.508 20.630 3.101 1.00 0.00 O +HETATM 752 H1 HOH A 251 -6.548 20.976 2.210 1.00 0.00 H +HETATM 753 H2 HOH A 251 -7.226 21.065 3.560 1.00 0.00 H +HETATM 754 O HOH A 252 47.052 58.379-103.855 1.00 0.00 O +HETATM 755 H1 HOH A 252 46.357 58.356-104.512 1.00 0.00 H +HETATM 756 H2 HOH A 252 46.720 57.842-103.136 1.00 0.00 H +HETATM 757 O HOH A 253 94.409 40.930 -5.654 1.00 0.00 O +HETATM 758 H1 HOH A 253 93.698 40.359 -5.365 1.00 0.00 H +HETATM 759 H2 HOH A 253 94.191 41.145 -6.561 1.00 0.00 H +HETATM 760 O HOH A 254 66.862 -1.426 -10.378 1.00 0.00 O +HETATM 761 H1 HOH A 254 66.043 -1.862 -10.144 1.00 0.00 H +HETATM 762 H2 HOH A 254 66.867 -0.627 -9.851 1.00 0.00 H +HETATM 763 O HOH A 255 -86.796 42.810 -44.693 1.00 0.00 O +HETATM 764 H1 HOH A 255 -86.469 43.094 -43.839 1.00 0.00 H +HETATM 765 H2 HOH A 255 -86.953 41.872 -44.590 1.00 0.00 H +HETATM 766 O HOH A 256 -61.300 69.145 -41.045 1.00 0.00 O +HETATM 767 H1 HOH A 256 -62.029 68.670 -40.646 1.00 0.00 H +HETATM 768 H2 HOH A 256 -60.626 69.165 -40.366 1.00 0.00 H +TER 769 HOH A 256 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_production_simulation_component_1/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_weight_by_mole_fraction_1/1|weight_by_mole_fraction_1_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_weight_by_mole_fraction_1/1|weight_by_mole_fraction_1_output.json new file mode 100644 index 00000000..2dad367f --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1_weight_by_mole_fraction_1/1|weight_by_mole_fraction_1_output.json @@ -0,0 +1 @@ +{".weighted_value": {"value": {"value": {"value": -16.349627767810844, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "error": {"value": 0.011173947708243344, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "@type": "openff.evaluator.unit.Measurement"}, "gradients": [], "@type": "openff.evaluator.utils.observables.Observable"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1|conditional_group_component_1_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1|conditional_group_component_1_output.json new file mode 100644 index 00000000..a321784a --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_component_1/1|conditional_group_component_1_output.json @@ -0,0 +1 @@ +{".current_iteration": 1, "1|conditional_group_component_1/1|production_simulation_component_1.output_coordinate_file": "1_conditional_group_component_1/1_production_simulation_component_1/output.pdb", 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+HETATM 55 H3 HMW A 5 5.614 33.912 9.649 1.00 0.00 H +HETATM 56 H4 HMW A 5 7.524 32.492 10.224 1.00 0.00 H +HETATM 57 H5 HMW A 5 8.162 33.757 11.250 1.00 0.00 H +HETATM 58 H6 HMW A 5 5.524 32.148 11.831 1.00 0.00 H +HETATM 59 H7 HMW A 5 5.947 33.730 12.528 1.00 0.00 H +HETATM 60 H8 HMW A 5 7.944 32.721 13.309 1.00 0.00 H +HETATM 61 C1 HMW A 6 2.608 16.742 10.763 1.00 0.00 C +HETATM 62 C2 HMW A 6 2.866 15.157 10.507 1.00 0.00 C +HETATM 63 C3 HMW A 6 3.053 14.923 9.042 1.00 0.00 C +HETATM 64 O1 HMW A 6 3.003 13.504 8.734 1.00 0.00 O +HETATM 65 H1 HMW A 6 2.658 16.917 11.838 1.00 0.00 H +HETATM 66 H2 HMW A 6 3.418 17.285 10.274 1.00 0.00 H +HETATM 67 H3 HMW A 6 1.607 17.087 10.505 1.00 0.00 H +HETATM 68 H4 HMW A 6 3.741 14.839 11.073 1.00 0.00 H +HETATM 69 H5 HMW A 6 1.994 14.629 10.894 1.00 0.00 H +HETATM 70 H6 HMW A 6 3.956 15.453 8.740 1.00 0.00 H +HETATM 71 H7 HMW A 6 2.265 15.379 8.443 1.00 0.00 H +HETATM 72 H8 HMW A 6 2.253 13.010 9.130 1.00 0.00 H +HETATM 73 C1 HMW A 7 5.709 -2.568 20.276 1.00 0.00 C +HETATM 74 C2 HMW A 7 5.705 -4.128 20.257 1.00 0.00 C +HETATM 75 C3 HMW A 7 4.460 -4.693 19.574 1.00 0.00 C +HETATM 76 O1 HMW A 7 3.215 -4.441 20.162 1.00 0.00 O +HETATM 77 H1 HMW A 7 6.579 -2.149 20.781 1.00 0.00 H +HETATM 78 H2 HMW A 7 5.787 -2.275 19.228 1.00 0.00 H +HETATM 79 H3 HMW A 7 4.837 -2.118 20.750 1.00 0.00 H +HETATM 80 H4 HMW A 7 6.546 -4.438 19.636 1.00 0.00 H +HETATM 81 H5 HMW A 7 5.774 -4.585 21.245 1.00 0.00 H +HETATM 82 H6 HMW A 7 4.604 -5.761 19.407 1.00 0.00 H +HETATM 83 H7 HMW A 7 4.445 -4.364 18.535 1.00 0.00 H +HETATM 84 H8 HMW A 7 2.926 -3.514 20.021 1.00 0.00 H +HETATM 85 C1 HMW A 8 14.501 11.112 18.853 1.00 0.00 C +HETATM 86 C2 HMW A 8 15.115 10.926 20.238 1.00 0.00 C +HETATM 87 C3 HMW A 8 15.062 12.196 21.091 1.00 0.00 C +HETATM 88 O1 HMW A 8 15.636 12.060 22.422 1.00 0.00 O +HETATM 89 H1 HMW A 8 14.743 10.380 18.083 1.00 0.00 H +HETATM 90 H2 HMW A 8 13.454 11.341 19.051 1.00 0.00 H +HETATM 91 H3 HMW A 8 14.937 12.079 18.603 1.00 0.00 H +HETATM 92 H4 HMW A 8 14.715 10.049 20.746 1.00 0.00 H +HETATM 93 H5 HMW A 8 16.174 10.692 20.122 1.00 0.00 H +HETATM 94 H6 HMW A 8 13.996 12.418 21.145 1.00 0.00 H +HETATM 95 H7 HMW A 8 15.541 12.967 20.488 1.00 0.00 H +HETATM 96 H8 HMW A 8 15.524 12.901 22.915 1.00 0.00 H +HETATM 97 C1 HMW A 9 3.614 29.555 10.601 1.00 0.00 C +HETATM 98 C2 HMW A 9 3.099 30.425 9.443 1.00 0.00 C +HETATM 99 C3 HMW A 9 4.246 31.063 8.698 1.00 0.00 C +HETATM 100 O1 HMW A 9 5.048 30.091 8.133 1.00 0.00 O +HETATM 101 H1 HMW A 9 2.787 29.180 11.203 1.00 0.00 H +HETATM 102 H2 HMW A 9 4.198 28.713 10.231 1.00 0.00 H +HETATM 103 H3 HMW A 9 4.140 30.156 11.344 1.00 0.00 H +HETATM 104 H4 HMW A 9 2.459 29.810 8.809 1.00 0.00 H +HETATM 105 H5 HMW A 9 2.418 31.216 9.758 1.00 0.00 H +HETATM 106 H6 HMW A 9 4.803 31.605 9.463 1.00 0.00 H +HETATM 107 H7 HMW A 9 3.836 31.788 7.994 1.00 0.00 H +HETATM 108 H8 HMW A 9 4.563 29.459 7.561 1.00 0.00 H +HETATM 109 C1 HMW A 10 29.794 9.595 7.559 1.00 0.00 C +HETATM 110 C2 HMW A 10 28.686 8.662 8.048 1.00 0.00 C +HETATM 111 C3 HMW A 10 29.207 7.230 8.262 1.00 0.00 C +HETATM 112 O1 HMW A 10 28.404 6.609 9.252 1.00 0.00 O +HETATM 113 H1 HMW A 10 30.557 9.592 8.337 1.00 0.00 H +HETATM 114 H2 HMW A 10 30.238 9.330 6.598 1.00 0.00 H +HETATM 115 H3 HMW A 10 29.425 10.619 7.505 1.00 0.00 H +HETATM 116 H4 HMW A 10 28.180 9.071 8.922 1.00 0.00 H +HETATM 117 H5 HMW A 10 27.895 8.513 7.312 1.00 0.00 H +HETATM 118 H6 HMW A 10 30.275 7.242 8.481 1.00 0.00 H +HETATM 119 H7 HMW A 10 29.118 6.689 7.320 1.00 0.00 H +HETATM 120 H8 HMW A 10 27.479 6.501 8.943 1.00 0.00 H +HETATM 121 C1 HMW A 11 26.191 25.339 23.900 1.00 0.00 C +HETATM 122 C2 HMW A 11 26.050 24.751 25.347 1.00 0.00 C +HETATM 123 C3 HMW A 11 26.249 25.831 26.359 1.00 0.00 C +HETATM 124 O1 HMW A 11 26.309 25.293 27.729 1.00 0.00 O +HETATM 125 H1 HMW A 11 25.260 25.841 23.636 1.00 0.00 H +HETATM 126 H2 HMW A 11 27.030 26.022 23.768 1.00 0.00 H +HETATM 127 H3 HMW A 11 26.254 24.537 23.165 1.00 0.00 H +HETATM 128 H4 HMW A 11 25.052 24.343 25.504 1.00 0.00 H +HETATM 129 H5 HMW A 11 26.725 23.902 25.456 1.00 0.00 H +HETATM 130 H6 HMW A 11 25.523 26.636 26.247 1.00 0.00 H +HETATM 131 H7 HMW A 11 27.181 26.378 26.210 1.00 0.00 H +HETATM 132 H8 HMW A 11 27.128 24.774 27.879 1.00 0.00 H +HETATM 133 C1 HMW A 12 13.417 13.497 9.483 1.00 0.00 C +HETATM 134 C2 HMW A 12 13.294 11.986 9.543 1.00 0.00 C +HETATM 135 C3 HMW A 12 13.281 11.413 10.937 1.00 0.00 C +HETATM 136 O1 HMW A 12 12.167 11.914 11.571 1.00 0.00 O +HETATM 137 H1 HMW A 12 14.379 13.705 9.951 1.00 0.00 H +HETATM 138 H2 HMW A 12 13.504 13.743 8.425 1.00 0.00 H +HETATM 139 H3 HMW A 12 12.682 14.179 9.910 1.00 0.00 H +HETATM 140 H4 HMW A 12 12.403 11.651 9.012 1.00 0.00 H +HETATM 141 H5 HMW A 12 14.051 11.501 8.926 1.00 0.00 H +HETATM 142 H6 HMW A 12 14.233 11.532 11.455 1.00 0.00 H +HETATM 143 H7 HMW A 12 13.233 10.328 10.854 1.00 0.00 H +HETATM 144 H8 HMW A 12 12.348 12.720 12.101 1.00 0.00 H +HETATM 145 C1 HMW A 13 14.295 19.678 13.926 1.00 0.00 C +HETATM 146 C2 HMW A 13 15.571 20.544 14.179 1.00 0.00 C +HETATM 147 C3 HMW A 13 15.650 21.840 13.328 1.00 0.00 C +HETATM 148 O1 HMW A 13 14.409 22.480 13.449 1.00 0.00 O +HETATM 149 H1 HMW A 13 14.050 19.488 12.881 1.00 0.00 H +HETATM 150 H2 HMW A 13 14.435 18.692 14.371 1.00 0.00 H +HETATM 151 H3 HMW A 13 13.384 20.047 14.396 1.00 0.00 H +HETATM 152 H4 HMW A 13 15.677 20.772 15.240 1.00 0.00 H +HETATM 153 H5 HMW A 13 16.402 19.882 13.937 1.00 0.00 H +HETATM 154 H6 HMW A 13 15.816 21.627 12.272 1.00 0.00 H +HETATM 155 H7 HMW A 13 16.404 22.529 13.709 1.00 0.00 H +HETATM 156 H8 HMW A 13 13.734 21.790 13.272 1.00 0.00 H +HETATM 157 C1 HMW A 14 -2.366 0.985 13.844 1.00 0.00 C +HETATM 158 C2 HMW A 14 -1.254 2.091 13.947 1.00 0.00 C +HETATM 159 C3 HMW A 14 -1.196 2.762 15.288 1.00 0.00 C +HETATM 160 O1 HMW A 14 -0.356 3.924 15.150 1.00 0.00 O +HETATM 161 H1 HMW A 14 -2.205 0.338 14.707 1.00 0.00 H +HETATM 162 H2 HMW A 14 -3.357 1.432 13.912 1.00 0.00 H +HETATM 163 H3 HMW A 14 -2.184 0.348 12.978 1.00 0.00 H +HETATM 164 H4 HMW A 14 -0.299 1.620 13.713 1.00 0.00 H +HETATM 165 H5 HMW A 14 -1.450 2.788 13.132 1.00 0.00 H +HETATM 166 H6 HMW A 14 -0.740 2.113 16.037 1.00 0.00 H +HETATM 167 H7 HMW A 14 -2.207 3.050 15.578 1.00 0.00 H +HETATM 168 H8 HMW A 14 0.579 3.655 15.029 1.00 0.00 H +HETATM 169 C1 HMW A 15 15.438 18.212 8.245 1.00 0.00 C +HETATM 170 C2 HMW A 15 16.377 19.376 7.863 1.00 0.00 C +HETATM 171 C3 HMW A 15 15.680 20.728 7.916 1.00 0.00 C +HETATM 172 O1 HMW A 15 14.606 20.826 6.945 1.00 0.00 O +HETATM 173 H1 HMW A 15 14.774 17.937 7.425 1.00 0.00 H +HETATM 174 H2 HMW A 15 15.961 17.302 8.538 1.00 0.00 H +HETATM 175 H3 HMW A 15 14.717 18.481 9.017 1.00 0.00 H +HETATM 176 H4 HMW A 15 17.147 19.440 8.632 1.00 0.00 H +HETATM 177 H5 HMW A 15 16.891 19.241 6.911 1.00 0.00 H +HETATM 178 H6 HMW A 15 16.290 21.625 7.809 1.00 0.00 H +HETATM 179 H7 HMW A 15 15.292 20.742 8.934 1.00 0.00 H +HETATM 180 H8 HMW A 15 14.245 21.739 6.931 1.00 0.00 H +HETATM 181 C1 HMW A 16 20.910 7.907 26.116 1.00 0.00 C +HETATM 182 C2 HMW A 16 20.007 7.437 27.370 1.00 0.00 C +HETATM 183 C3 HMW A 16 18.933 6.454 26.903 1.00 0.00 C +HETATM 184 O1 HMW A 16 19.476 5.118 26.957 1.00 0.00 O +HETATM 185 H1 HMW A 16 20.334 8.140 25.220 1.00 0.00 H +HETATM 186 H2 HMW A 16 21.665 8.654 26.360 1.00 0.00 H +HETATM 187 H3 HMW A 16 21.447 7.046 25.718 1.00 0.00 H +HETATM 188 H4 HMW A 16 20.702 7.090 28.135 1.00 0.00 H +HETATM 189 H5 HMW A 16 19.592 8.356 27.786 1.00 0.00 H +HETATM 190 H6 HMW A 16 18.574 6.741 25.914 1.00 0.00 H +HETATM 191 H7 HMW A 16 18.081 6.493 27.582 1.00 0.00 H +HETATM 192 H8 HMW A 16 18.821 4.500 26.567 1.00 0.00 H +HETATM 193 C1 HMW A 17 15.189 -10.504 3.376 1.00 0.00 C +HETATM 194 C2 HMW A 17 16.355 -10.063 2.548 1.00 0.00 C +HETATM 195 C3 HMW A 17 17.668 -10.818 2.778 1.00 0.00 C +HETATM 196 O1 HMW A 17 18.695 -10.021 2.212 1.00 0.00 O +HETATM 197 H1 HMW A 17 14.889 -11.526 3.146 1.00 0.00 H +HETATM 198 H2 HMW A 17 15.347 -10.478 4.454 1.00 0.00 H +HETATM 199 H3 HMW A 17 14.319 -9.904 3.108 1.00 0.00 H +HETATM 200 H4 HMW A 17 16.097 -10.171 1.495 1.00 0.00 H +HETATM 201 H5 HMW A 17 16.521 -9.006 2.757 1.00 0.00 H +HETATM 202 H6 HMW A 17 17.573 -11.790 2.294 1.00 0.00 H +HETATM 203 H7 HMW A 17 17.872 -10.903 3.845 1.00 0.00 H +HETATM 204 H8 HMW A 17 18.673 -9.871 1.243 1.00 0.00 H +HETATM 205 C1 HMW A 18 24.278 -0.379 30.288 1.00 0.00 C +HETATM 206 C2 HMW A 18 25.356 -0.504 31.420 1.00 0.00 C +HETATM 207 C3 HMW A 18 25.879 0.841 31.927 1.00 0.00 C +HETATM 208 O1 HMW A 18 26.204 1.600 30.844 1.00 0.00 O +HETATM 209 H1 HMW A 18 24.676 0.103 29.396 1.00 0.00 H +HETATM 210 H2 HMW A 18 23.840 -1.362 30.110 1.00 0.00 H +HETATM 211 H3 HMW A 18 23.427 0.178 30.680 1.00 0.00 H +HETATM 212 H4 HMW A 18 24.884 -1.015 32.260 1.00 0.00 H +HETATM 213 H5 HMW A 18 26.144 -1.130 31.001 1.00 0.00 H +HETATM 214 H6 HMW A 18 26.731 0.736 32.599 1.00 0.00 H +HETATM 215 H7 HMW A 18 25.065 1.255 32.523 1.00 0.00 H +HETATM 216 H8 HMW A 18 26.602 1.053 30.133 1.00 0.00 H +HETATM 217 C1 HMW A 19 6.408 15.847 12.971 1.00 0.00 C +HETATM 218 C2 HMW A 19 5.872 15.219 14.256 1.00 0.00 C +HETATM 219 C3 HMW A 19 6.939 15.318 15.388 1.00 0.00 C +HETATM 220 O1 HMW A 19 8.166 14.932 14.730 1.00 0.00 O +HETATM 221 H1 HMW A 19 6.529 16.888 13.271 1.00 0.00 H +HETATM 222 H2 HMW A 19 7.361 15.414 12.666 1.00 0.00 H +HETATM 223 H3 HMW A 19 5.624 15.869 12.214 1.00 0.00 H +HETATM 224 H4 HMW A 19 5.009 15.774 14.624 1.00 0.00 H +HETATM 225 H5 HMW A 19 5.642 14.157 14.170 1.00 0.00 H +HETATM 226 H6 HMW A 19 6.659 14.640 16.195 1.00 0.00 H +HETATM 227 H7 HMW A 19 7.023 16.341 15.754 1.00 0.00 H +HETATM 228 H8 HMW A 19 8.037 14.046 14.328 1.00 0.00 H +HETATM 229 C1 HMW A 20 12.908 0.826 0.652 1.00 0.00 C +HETATM 230 C2 HMW A 20 13.949 -0.137 0.173 1.00 0.00 C +HETATM 231 C3 HMW A 20 15.309 0.513 0.055 1.00 0.00 C +HETATM 232 O1 HMW A 20 15.718 1.236 1.205 1.00 0.00 O +HETATM 233 H1 HMW A 20 11.904 0.405 0.707 1.00 0.00 H +HETATM 234 H2 HMW A 20 13.199 1.196 1.635 1.00 0.00 H +HETATM 235 H3 HMW A 20 12.900 1.692 -0.010 1.00 0.00 H +HETATM 236 H4 HMW A 20 14.029 -0.898 0.950 1.00 0.00 H +HETATM 237 H5 HMW A 20 13.684 -0.749 -0.690 1.00 0.00 H +HETATM 238 H6 HMW A 20 15.467 1.197 -0.778 1.00 0.00 H +HETATM 239 H7 HMW A 20 15.991 -0.299 -0.198 1.00 0.00 H +HETATM 240 H8 HMW A 20 15.809 2.205 1.083 1.00 0.00 H +HETATM 241 C1 HMW A 21 16.988 10.133 10.840 1.00 0.00 C +HETATM 242 C2 HMW A 21 17.006 11.647 10.533 1.00 0.00 C +HETATM 243 C3 HMW A 21 18.436 12.236 10.632 1.00 0.00 C +HETATM 244 O1 HMW A 21 18.827 12.173 11.937 1.00 0.00 O +HETATM 245 H1 HMW A 21 17.648 9.874 11.667 1.00 0.00 H +HETATM 246 H2 HMW A 21 15.963 9.851 11.079 1.00 0.00 H +HETATM 247 H3 HMW A 21 17.259 9.547 9.962 1.00 0.00 H +HETATM 248 H4 HMW A 21 16.584 11.752 9.534 1.00 0.00 H +HETATM 249 H5 HMW A 21 16.284 12.123 11.196 1.00 0.00 H +HETATM 250 H6 HMW A 21 18.465 13.274 10.301 1.00 0.00 H +HETATM 251 H7 HMW A 21 19.019 11.569 9.997 1.00 0.00 H +HETATM 252 H8 HMW A 21 18.238 12.687 12.530 1.00 0.00 H +HETATM 253 C1 HMW A 22 10.060 -14.835 17.416 1.00 0.00 C +HETATM 254 C2 HMW A 22 11.063 -14.971 16.202 1.00 0.00 C +HETATM 255 C3 HMW A 22 12.091 -13.776 16.187 1.00 0.00 C +HETATM 256 O1 HMW A 22 11.507 -12.474 15.886 1.00 0.00 O +HETATM 257 H1 HMW A 22 9.311 -15.627 17.414 1.00 0.00 H +HETATM 258 H2 HMW A 22 10.476 -14.900 18.422 1.00 0.00 H +HETATM 259 H3 HMW A 22 9.576 -13.880 17.209 1.00 0.00 H +HETATM 260 H4 HMW A 22 11.563 -15.939 16.239 1.00 0.00 H +HETATM 261 H5 HMW A 22 10.514 -14.952 15.261 1.00 0.00 H +HETATM 262 H6 HMW A 22 12.893 -14.041 15.498 1.00 0.00 H +HETATM 263 H7 HMW A 22 12.591 -13.765 17.156 1.00 0.00 H +HETATM 264 H8 HMW A 22 12.110 -11.719 16.055 1.00 0.00 H +HETATM 265 C1 HMW A 23 7.103 -13.592 25.666 1.00 0.00 C +HETATM 266 C2 HMW A 23 8.625 -13.316 26.016 1.00 0.00 C +HETATM 267 C3 HMW A 23 9.278 -12.563 24.739 1.00 0.00 C +HETATM 268 O1 HMW A 23 8.519 -11.314 24.517 1.00 0.00 O +HETATM 269 H1 HMW A 23 6.478 -12.704 25.570 1.00 0.00 H +HETATM 270 H2 HMW A 23 7.107 -14.196 24.759 1.00 0.00 H +HETATM 271 H3 HMW A 23 6.594 -14.243 26.376 1.00 0.00 H +HETATM 272 H4 HMW A 23 8.698 -12.865 27.006 1.00 0.00 H +HETATM 273 H5 HMW A 23 9.069 -14.310 26.062 1.00 0.00 H +HETATM 274 H6 HMW A 23 9.042 -13.253 23.929 1.00 0.00 H +HETATM 275 H7 HMW A 23 10.353 -12.405 24.819 1.00 0.00 H +HETATM 276 H8 HMW A 23 8.824 -10.551 25.052 1.00 0.00 H +HETATM 277 C1 HMW A 24 0.075 13.550 -2.559 1.00 0.00 C +HETATM 278 C2 HMW A 24 -1.227 12.866 -2.979 1.00 0.00 C +HETATM 279 C3 HMW A 24 -1.849 12.000 -1.834 1.00 0.00 C +HETATM 280 O1 HMW A 24 -2.305 12.832 -0.783 1.00 0.00 O +HETATM 281 H1 HMW A 24 -0.044 14.318 -1.794 1.00 0.00 H +HETATM 282 H2 HMW A 24 0.750 12.819 -2.116 1.00 0.00 H +HETATM 283 H3 HMW A 24 0.546 14.128 -3.354 1.00 0.00 H +HETATM 284 H4 HMW A 24 -1.921 13.649 -3.287 1.00 0.00 H +HETATM 285 H5 HMW A 24 -1.141 12.242 -3.869 1.00 0.00 H +HETATM 286 H6 HMW A 24 -1.051 11.357 -1.463 1.00 0.00 H +HETATM 287 H7 HMW A 24 -2.711 11.421 -2.167 1.00 0.00 H +HETATM 288 H8 HMW A 24 -3.149 12.518 -0.394 1.00 0.00 H +HETATM 289 C1 HMW A 25 11.013 30.248 7.471 1.00 0.00 C +HETATM 290 C2 HMW A 25 9.790 30.841 6.764 1.00 0.00 C +HETATM 291 C3 HMW A 25 8.597 30.692 7.677 1.00 0.00 C +HETATM 292 O1 HMW A 25 7.335 30.745 6.904 1.00 0.00 O +HETATM 293 H1 HMW A 25 10.977 29.158 7.480 1.00 0.00 H +HETATM 294 H2 HMW A 25 11.888 30.644 6.954 1.00 0.00 H +HETATM 295 H3 HMW A 25 11.080 30.494 8.530 1.00 0.00 H +HETATM 296 H4 HMW A 25 9.910 31.829 6.320 1.00 0.00 H +HETATM 297 H5 HMW A 25 9.618 30.240 5.871 1.00 0.00 H +HETATM 298 H6 HMW A 25 8.590 31.499 8.409 1.00 0.00 H +HETATM 299 H7 HMW A 25 8.642 29.770 8.257 1.00 0.00 H +HETATM 300 H8 HMW A 25 6.511 30.622 7.423 1.00 0.00 H +HETATM 301 C1 HMW A 26 27.766 18.693 15.120 1.00 0.00 C +HETATM 302 C2 HMW A 26 26.572 18.114 14.303 1.00 0.00 C +HETATM 303 C3 HMW A 26 27.001 16.799 13.689 1.00 0.00 C +HETATM 304 O1 HMW A 26 26.078 16.484 12.706 1.00 0.00 O +HETATM 305 H1 HMW A 26 27.444 19.440 15.846 1.00 0.00 H +HETATM 306 H2 HMW A 26 28.302 17.856 15.568 1.00 0.00 H +HETATM 307 H3 HMW A 26 28.440 19.068 14.350 1.00 0.00 H +HETATM 308 H4 HMW A 26 25.733 17.985 14.987 1.00 0.00 H +HETATM 309 H5 HMW A 26 26.259 18.815 13.528 1.00 0.00 H +HETATM 310 H6 HMW A 26 27.101 16.085 14.507 1.00 0.00 H +HETATM 311 H7 HMW A 26 27.992 16.932 13.256 1.00 0.00 H +HETATM 312 H8 HMW A 26 26.289 15.580 12.391 1.00 0.00 H +HETATM 313 C1 HMW A 27 -5.331 9.800 16.903 1.00 0.00 C +HETATM 314 C2 HMW A 27 -3.920 10.355 16.977 1.00 0.00 C +HETATM 315 C3 HMW A 27 -3.772 11.843 16.592 1.00 0.00 C +HETATM 316 O1 HMW A 27 -4.218 12.005 15.244 1.00 0.00 O +HETATM 317 H1 HMW A 27 -6.034 10.512 17.336 1.00 0.00 H +HETATM 318 H2 HMW A 27 -5.603 9.578 15.871 1.00 0.00 H +HETATM 319 H3 HMW A 27 -5.335 8.838 17.416 1.00 0.00 H +HETATM 320 H4 HMW A 27 -3.551 10.130 17.978 1.00 0.00 H +HETATM 321 H5 HMW A 27 -3.358 9.647 16.368 1.00 0.00 H +HETATM 322 H6 HMW A 27 -2.792 12.302 16.727 1.00 0.00 H +HETATM 323 H7 HMW A 27 -4.436 12.421 17.236 1.00 0.00 H +HETATM 324 H8 HMW A 27 -3.900 12.863 14.890 1.00 0.00 H +HETATM 325 C1 HMW A 28 21.387 13.145 19.905 1.00 0.00 C +HETATM 326 C2 HMW A 28 20.199 14.031 19.493 1.00 0.00 C +HETATM 327 C3 HMW A 28 18.922 13.645 20.144 1.00 0.00 C +HETATM 328 O1 HMW A 28 18.032 14.733 20.110 1.00 0.00 O +HETATM 329 H1 HMW A 28 21.652 13.267 20.955 1.00 0.00 H +HETATM 330 H2 HMW A 28 21.275 12.095 19.633 1.00 0.00 H +HETATM 331 H3 HMW A 28 22.285 13.545 19.432 1.00 0.00 H +HETATM 332 H4 HMW A 28 20.467 15.043 19.797 1.00 0.00 H +HETATM 333 H5 HMW A 28 20.130 14.035 18.405 1.00 0.00 H +HETATM 334 H6 HMW A 28 18.968 13.291 21.175 1.00 0.00 H +HETATM 335 H7 HMW A 28 18.400 12.894 19.551 1.00 0.00 H +HETATM 336 H8 HMW A 28 18.340 15.536 20.581 1.00 0.00 H +HETATM 337 C1 HMW A 29 13.722 21.942 17.640 1.00 0.00 C +HETATM 338 C2 HMW A 29 15.229 21.673 18.125 1.00 0.00 C +HETATM 339 C3 HMW A 29 15.942 22.985 18.461 1.00 0.00 C +HETATM 340 O1 HMW A 29 16.259 23.904 17.340 1.00 0.00 O +HETATM 341 H1 HMW A 29 13.118 22.538 18.324 1.00 0.00 H +HETATM 342 H2 HMW A 29 13.704 22.369 16.638 1.00 0.00 H +HETATM 343 H3 HMW A 29 13.118 21.043 17.521 1.00 0.00 H +HETATM 344 H4 HMW A 29 15.183 21.057 19.023 1.00 0.00 H +HETATM 345 H5 HMW A 29 15.761 21.099 17.367 1.00 0.00 H +HETATM 346 H6 HMW A 29 16.887 22.717 18.934 1.00 0.00 H +HETATM 347 H7 HMW A 29 15.309 23.469 19.204 1.00 0.00 H +HETATM 348 H8 HMW A 29 16.740 23.476 16.599 1.00 0.00 H +HETATM 349 C1 HMW A 30 19.044 -1.650 28.065 1.00 0.00 C +HETATM 350 C2 HMW A 30 19.008 -0.171 28.300 1.00 0.00 C +HETATM 351 C3 HMW A 30 18.329 -0.003 29.731 1.00 0.00 C +HETATM 352 O1 HMW A 30 17.009 -0.357 29.759 1.00 0.00 O +HETATM 353 H1 HMW A 30 19.462 -2.306 28.829 1.00 0.00 H +HETATM 354 H2 HMW A 30 18.025 -1.961 27.833 1.00 0.00 H +HETATM 355 H3 HMW A 30 19.570 -1.876 27.137 1.00 0.00 H +HETATM 356 H4 HMW A 30 20.061 0.104 28.371 1.00 0.00 H +HETATM 357 H5 HMW A 30 18.404 0.395 27.591 1.00 0.00 H +HETATM 358 H6 HMW A 30 18.410 1.032 30.061 1.00 0.00 H +HETATM 359 H7 HMW A 30 18.891 -0.577 30.468 1.00 0.00 H +HETATM 360 H8 HMW A 30 16.464 0.146 29.117 1.00 0.00 H +HETATM 361 C1 HMW A 31 -8.341 16.958 16.795 1.00 0.00 C +HETATM 362 C2 HMW A 31 -9.035 18.357 16.981 1.00 0.00 C +HETATM 363 C3 HMW A 31 -8.669 18.961 18.346 1.00 0.00 C +HETATM 364 O1 HMW A 31 -9.092 18.174 19.491 1.00 0.00 O +HETATM 365 H1 HMW A 31 -7.268 16.989 16.982 1.00 0.00 H +HETATM 366 H2 HMW A 31 -8.702 16.267 17.558 1.00 0.00 H +HETATM 367 H3 HMW A 31 -8.544 16.545 15.807 1.00 0.00 H +HETATM 368 H4 HMW A 31 -8.700 18.934 16.118 1.00 0.00 H +HETATM 369 H5 HMW A 31 -10.118 18.288 16.882 1.00 0.00 H +HETATM 370 H6 HMW A 31 -9.147 19.933 18.469 1.00 0.00 H +HETATM 371 H7 HMW A 31 -7.626 19.236 18.504 1.00 0.00 H +HETATM 372 H8 HMW A 31 -10.038 17.933 19.396 1.00 0.00 H +HETATM 373 C1 HMW A 32 29.460 25.923 29.826 1.00 0.00 C +HETATM 374 C2 HMW A 32 29.921 24.510 29.961 1.00 0.00 C +HETATM 375 C3 HMW A 32 28.792 23.437 29.590 1.00 0.00 C +HETATM 376 O1 HMW A 32 28.478 23.515 28.239 1.00 0.00 O +HETATM 377 H1 HMW A 32 30.282 26.631 29.931 1.00 0.00 H +HETATM 378 H2 HMW A 32 28.931 26.012 28.877 1.00 0.00 H +HETATM 379 H3 HMW A 32 28.649 26.220 30.492 1.00 0.00 H +HETATM 380 H4 HMW A 32 30.838 24.439 29.376 1.00 0.00 H +HETATM 381 H5 HMW A 32 30.079 24.380 31.032 1.00 0.00 H +HETATM 382 H6 HMW A 32 27.887 23.652 30.159 1.00 0.00 H +HETATM 383 H7 HMW A 32 29.063 22.451 29.966 1.00 0.00 H +HETATM 384 H8 HMW A 32 29.147 22.979 27.763 1.00 0.00 H +HETATM 385 C1 HMW A 33 9.065 24.974 29.075 1.00 0.00 C +HETATM 386 C2 HMW A 33 10.358 24.575 28.334 1.00 0.00 C +HETATM 387 C3 HMW A 33 10.059 23.840 27.022 1.00 0.00 C +HETATM 388 O1 HMW A 33 9.306 22.605 27.280 1.00 0.00 O +HETATM 389 H1 HMW A 33 8.263 25.089 28.346 1.00 0.00 H +HETATM 390 H2 HMW A 33 8.771 24.075 29.616 1.00 0.00 H +HETATM 391 H3 HMW A 33 9.185 25.836 29.731 1.00 0.00 H +HETATM 392 H4 HMW A 33 10.932 25.471 28.097 1.00 0.00 H +HETATM 393 H5 HMW A 33 10.958 23.943 28.990 1.00 0.00 H +HETATM 394 H6 HMW A 33 10.986 23.620 26.491 1.00 0.00 H +HETATM 395 H7 HMW A 33 9.460 24.469 26.364 1.00 0.00 H +HETATM 396 H8 HMW A 33 8.400 22.833 27.580 1.00 0.00 H +HETATM 397 C1 HMW A 34 14.248 24.442 37.509 1.00 0.00 C +HETATM 398 C2 HMW A 34 14.850 25.843 37.408 1.00 0.00 C +HETATM 399 C3 HMW A 34 16.303 25.634 37.118 1.00 0.00 C +HETATM 400 O1 HMW A 34 16.806 26.947 36.868 1.00 0.00 O +HETATM 401 H1 HMW A 34 13.187 24.560 37.726 1.00 0.00 H +HETATM 402 H2 HMW A 34 14.320 23.944 36.542 1.00 0.00 H +HETATM 403 H3 HMW A 34 14.644 23.811 38.306 1.00 0.00 H +HETATM 404 H4 HMW A 34 14.436 26.381 36.555 1.00 0.00 H +HETATM 405 H5 HMW A 34 14.731 26.465 38.295 1.00 0.00 H +HETATM 406 H6 HMW A 34 16.374 25.124 36.157 1.00 0.00 H +HETATM 407 H7 HMW A 34 16.826 25.163 37.950 1.00 0.00 H +HETATM 408 H8 HMW A 34 17.769 26.942 36.681 1.00 0.00 H +HETATM 409 C1 HMW A 35 20.675 25.455 33.207 1.00 0.00 C +HETATM 410 C2 HMW A 35 19.205 25.525 33.423 1.00 0.00 C +HETATM 411 C3 HMW A 35 18.769 26.709 34.413 1.00 0.00 C +HETATM 412 O1 HMW A 35 19.223 26.487 35.763 1.00 0.00 O +HETATM 413 H1 HMW A 35 21.229 25.268 34.127 1.00 0.00 H +HETATM 414 H2 HMW A 35 20.933 24.712 32.452 1.00 0.00 H +HETATM 415 H3 HMW A 35 21.070 26.414 32.871 1.00 0.00 H +HETATM 416 H4 HMW A 35 18.760 25.722 32.448 1.00 0.00 H +HETATM 417 H5 HMW A 35 18.795 24.580 33.780 1.00 0.00 H +HETATM 418 H6 HMW A 35 17.684 26.807 34.389 1.00 0.00 H +HETATM 419 H7 HMW A 35 19.176 27.658 34.063 1.00 0.00 H +HETATM 420 H8 HMW A 35 19.386 25.546 35.985 1.00 0.00 H +HETATM 421 C1 HMW A 36 13.825 0.882 7.066 1.00 0.00 C +HETATM 422 C2 HMW A 36 13.608 -0.469 6.468 1.00 0.00 C +HETATM 423 C3 HMW A 36 14.648 -0.829 5.391 1.00 0.00 C +HETATM 424 O1 HMW A 36 14.425 -2.165 5.059 1.00 0.00 O +HETATM 425 H1 HMW A 36 13.560 1.713 6.413 1.00 0.00 H +HETATM 426 H2 HMW A 36 13.162 1.041 7.917 1.00 0.00 H +HETATM 427 H3 HMW A 36 14.859 1.031 7.374 1.00 0.00 H +HETATM 428 H4 HMW A 36 13.733 -1.220 7.248 1.00 0.00 H +HETATM 429 H5 HMW A 36 12.586 -0.575 6.102 1.00 0.00 H +HETATM 430 H6 HMW A 36 15.580 -0.839 5.956 1.00 0.00 H +HETATM 431 H7 HMW A 36 14.629 -0.139 4.547 1.00 0.00 H +HETATM 432 H8 HMW A 36 15.062 -2.467 4.377 1.00 0.00 H +HETATM 433 C1 HMW A 37 24.139 7.375 28.853 1.00 0.00 C +HETATM 434 C2 HMW A 37 23.628 5.986 28.695 1.00 0.00 C +HETATM 435 C3 HMW A 37 23.757 5.262 30.030 1.00 0.00 C +HETATM 436 O1 HMW A 37 23.031 4.027 29.959 1.00 0.00 O +HETATM 437 H1 HMW A 37 25.209 7.316 29.058 1.00 0.00 H +HETATM 438 H2 HMW A 37 24.116 8.000 27.960 1.00 0.00 H +HETATM 439 H3 HMW A 37 23.677 7.889 29.696 1.00 0.00 H +HETATM 440 H4 HMW A 37 22.606 6.026 28.316 1.00 0.00 H +HETATM 441 H5 HMW A 37 24.226 5.471 27.943 1.00 0.00 H +HETATM 442 H6 HMW A 37 23.402 5.870 30.862 1.00 0.00 H +HETATM 443 H7 HMW A 37 24.823 5.132 30.220 1.00 0.00 H +HETATM 444 H8 HMW A 37 23.375 3.386 30.617 1.00 0.00 H +HETATM 445 C1 HMW A 38 11.234 1.011 11.488 1.00 0.00 C +HETATM 446 C2 HMW A 38 11.046 2.408 12.057 1.00 0.00 C +HETATM 447 C3 HMW A 38 9.626 2.529 12.713 1.00 0.00 C +HETATM 448 O1 HMW A 38 9.422 1.601 13.775 1.00 0.00 O +HETATM 449 H1 HMW A 38 10.566 0.915 10.632 1.00 0.00 H +HETATM 450 H2 HMW A 38 12.245 0.946 11.086 1.00 0.00 H +HETATM 451 H3 HMW A 38 11.140 0.212 12.224 1.00 0.00 H +HETATM 452 H4 HMW A 38 11.820 2.579 12.805 1.00 0.00 H +HETATM 453 H5 HMW A 38 11.094 3.079 11.198 1.00 0.00 H +HETATM 454 H6 HMW A 38 8.877 2.488 11.921 1.00 0.00 H +HETATM 455 H7 HMW A 38 9.428 3.525 13.109 1.00 0.00 H +HETATM 456 H8 HMW A 38 10.168 1.488 14.402 1.00 0.00 H +HETATM 457 C1 HMW A 39 8.450 20.408 3.797 1.00 0.00 C +HETATM 458 C2 HMW A 39 7.506 19.293 3.320 1.00 0.00 C +HETATM 459 C3 HMW A 39 7.337 19.102 1.773 1.00 0.00 C +HETATM 460 O1 HMW A 39 6.682 20.246 1.377 1.00 0.00 O +HETATM 461 H1 HMW A 39 8.455 20.469 4.886 1.00 0.00 H +HETATM 462 H2 HMW A 39 9.479 20.295 3.454 1.00 0.00 H +HETATM 463 H3 HMW A 39 8.113 21.371 3.414 1.00 0.00 H +HETATM 464 H4 HMW A 39 7.908 18.354 3.700 1.00 0.00 H +HETATM 465 H5 HMW A 39 6.504 19.408 3.733 1.00 0.00 H +HETATM 466 H6 HMW A 39 6.644 18.279 1.596 1.00 0.00 H +HETATM 467 H7 HMW A 39 8.274 18.974 1.231 1.00 0.00 H +HETATM 468 H8 HMW A 39 5.772 20.291 1.744 1.00 0.00 H +HETATM 469 C1 HMW A 40 13.348 7.265 17.049 1.00 0.00 C +HETATM 470 C2 HMW A 40 12.142 8.125 16.517 1.00 0.00 C +HETATM 471 C3 HMW A 40 11.299 8.413 17.702 1.00 0.00 C +HETATM 472 O1 HMW A 40 10.495 7.328 18.060 1.00 0.00 O +HETATM 473 H1 HMW A 40 13.931 7.969 17.643 1.00 0.00 H +HETATM 474 H2 HMW A 40 13.088 6.332 17.550 1.00 0.00 H +HETATM 475 H3 HMW A 40 13.912 6.988 16.158 1.00 0.00 H +HETATM 476 H4 HMW A 40 12.633 9.003 16.096 1.00 0.00 H +HETATM 477 H5 HMW A 40 11.688 7.536 15.720 1.00 0.00 H +HETATM 478 H6 HMW A 40 10.668 9.234 17.362 1.00 0.00 H +HETATM 479 H7 HMW A 40 11.918 8.872 18.474 1.00 0.00 H +HETATM 480 H8 HMW A 40 9.796 7.208 17.381 1.00 0.00 H +HETATM 481 C1 HMW A 41 26.713 22.738 33.136 1.00 0.00 C +HETATM 482 C2 HMW A 41 25.883 21.725 32.467 1.00 0.00 C +HETATM 483 C3 HMW A 41 26.607 20.295 32.429 1.00 0.00 C +HETATM 484 O1 HMW A 41 25.823 19.373 31.707 1.00 0.00 O +HETATM 485 H1 HMW A 41 26.172 23.682 33.199 1.00 0.00 H +HETATM 486 H2 HMW A 41 26.995 22.417 34.139 1.00 0.00 H +HETATM 487 H3 HMW A 41 27.618 22.762 32.528 1.00 0.00 H +HETATM 488 H4 HMW A 41 24.898 21.675 32.931 1.00 0.00 H +HETATM 489 H5 HMW A 41 25.741 22.125 31.463 1.00 0.00 H +HETATM 490 H6 HMW A 41 26.700 19.855 33.422 1.00 0.00 H +HETATM 491 H7 HMW A 41 27.572 20.434 31.942 1.00 0.00 H +HETATM 492 H8 HMW A 41 26.021 18.417 31.804 1.00 0.00 H +HETATM 493 C1 HMW A 42 -6.469 5.392 22.923 1.00 0.00 C +HETATM 494 C2 HMW A 42 -5.547 4.316 22.248 1.00 0.00 C +HETATM 495 C3 HMW A 42 -5.297 4.618 20.789 1.00 0.00 C +HETATM 496 O1 HMW A 42 -4.526 5.814 20.670 1.00 0.00 O +HETATM 497 H1 HMW A 42 -6.018 6.384 22.902 1.00 0.00 H +HETATM 498 H2 HMW A 42 -7.457 5.323 22.467 1.00 0.00 H +HETATM 499 H3 HMW A 42 -6.558 5.111 23.973 1.00 0.00 H +HETATM 500 H4 HMW A 42 -4.599 4.375 22.784 1.00 0.00 H +HETATM 501 H5 HMW A 42 -5.998 3.324 22.296 1.00 0.00 H +HETATM 502 H6 HMW A 42 -6.260 4.842 20.330 1.00 0.00 H +HETATM 503 H7 HMW A 42 -4.836 3.750 20.318 1.00 0.00 H +HETATM 504 H8 HMW A 42 -3.729 5.741 21.237 1.00 0.00 H +HETATM 505 C1 HMW A 43 5.571 8.626 32.065 1.00 0.00 C +HETATM 506 C2 HMW A 43 6.006 9.862 32.818 1.00 0.00 C +HETATM 507 C3 HMW A 43 5.685 11.230 32.124 1.00 0.00 C +HETATM 508 O1 HMW A 43 4.217 11.226 32.093 1.00 0.00 O +HETATM 509 H1 HMW A 43 5.711 8.715 30.987 1.00 0.00 H +HETATM 510 H2 HMW A 43 6.099 7.746 32.432 1.00 0.00 H +HETATM 511 H3 HMW A 43 4.513 8.474 32.279 1.00 0.00 H +HETATM 512 H4 HMW A 43 5.827 9.873 33.893 1.00 0.00 H +HETATM 513 H5 HMW A 43 7.089 9.844 32.936 1.00 0.00 H +HETATM 514 H6 HMW A 43 6.100 11.414 31.133 1.00 0.00 H +HETATM 515 H7 HMW A 43 6.017 12.028 32.787 1.00 0.00 H +HETATM 516 H8 HMW A 43 3.883 10.346 31.815 1.00 0.00 H +HETATM 517 C1 HMW A 44 -0.118 -0.975 17.611 1.00 0.00 C +HETATM 518 C2 HMW A 44 -0.233 -1.816 18.882 1.00 0.00 C +HETATM 519 C3 HMW A 44 0.945 -2.689 19.004 1.00 0.00 C +HETATM 520 O1 HMW A 44 2.149 -2.033 19.357 1.00 0.00 O +HETATM 521 H1 HMW A 44 0.692 -0.275 17.815 1.00 0.00 H +HETATM 522 H2 HMW A 44 0.300 -1.469 16.734 1.00 0.00 H +HETATM 523 H3 HMW A 44 -1.007 -0.446 17.266 1.00 0.00 H +HETATM 524 H4 HMW A 44 -0.381 -1.200 19.769 1.00 0.00 H +HETATM 525 H5 HMW A 44 -1.054 -2.524 18.768 1.00 0.00 H +HETATM 526 H6 HMW A 44 1.187 -3.365 18.184 1.00 0.00 H +HETATM 527 H7 HMW A 44 0.608 -3.236 19.885 1.00 0.00 H +HETATM 528 H8 HMW A 44 1.999 -1.318 20.011 1.00 0.00 H +HETATM 529 C1 HMW A 45 6.891 10.078 27.862 1.00 0.00 C +HETATM 530 C2 HMW A 45 6.771 8.599 27.548 1.00 0.00 C +HETATM 531 C3 HMW A 45 8.145 7.852 27.703 1.00 0.00 C +HETATM 532 O1 HMW A 45 9.325 8.522 27.126 1.00 0.00 O +HETATM 533 H1 HMW A 45 5.919 10.565 27.779 1.00 0.00 H +HETATM 534 H2 HMW A 45 7.247 10.192 28.886 1.00 0.00 H +HETATM 535 H3 HMW A 45 7.624 10.509 27.179 1.00 0.00 H +HETATM 536 H4 HMW A 45 6.088 8.095 28.232 1.00 0.00 H +HETATM 537 H5 HMW A 45 6.317 8.426 26.572 1.00 0.00 H +HETATM 538 H6 HMW A 45 8.137 6.823 27.345 1.00 0.00 H +HETATM 539 H7 HMW A 45 8.215 7.756 28.787 1.00 0.00 H +HETATM 540 H8 HMW A 45 9.317 8.554 26.146 1.00 0.00 H +HETATM 541 C1 HMW A 46 8.051 3.083 21.384 1.00 0.00 C +HETATM 542 C2 HMW A 46 7.325 1.682 21.069 1.00 0.00 C +HETATM 543 C3 HMW A 46 6.150 1.452 22.010 1.00 0.00 C +HETATM 544 O1 HMW A 46 5.585 0.162 21.772 1.00 0.00 O +HETATM 545 H1 HMW A 46 7.191 3.753 21.416 1.00 0.00 H +HETATM 546 H2 HMW A 46 8.424 2.999 22.405 1.00 0.00 H +HETATM 547 H3 HMW A 46 8.709 3.361 20.561 1.00 0.00 H +HETATM 548 H4 HMW A 46 6.932 1.663 20.052 1.00 0.00 H +HETATM 549 H5 HMW A 46 8.087 0.918 21.222 1.00 0.00 H +HETATM 550 H6 HMW A 46 5.393 2.236 22.011 1.00 0.00 H +HETATM 551 H7 HMW A 46 6.603 1.505 23.001 1.00 0.00 H +HETATM 552 H8 HMW A 46 4.774 0.071 22.317 1.00 0.00 H +HETATM 553 C1 HMW A 47 9.977 21.104 18.265 1.00 0.00 C +HETATM 554 C2 HMW A 47 8.523 20.640 18.488 1.00 0.00 C +HETATM 555 C3 HMW A 47 8.310 19.124 18.091 1.00 0.00 C +HETATM 556 O1 HMW A 47 8.563 18.934 16.701 1.00 0.00 O +HETATM 557 H1 HMW A 47 10.061 21.653 17.327 1.00 0.00 H +HETATM 558 H2 HMW A 47 10.378 21.724 19.068 1.00 0.00 H +HETATM 559 H3 HMW A 47 10.593 20.216 18.123 1.00 0.00 H +HETATM 560 H4 HMW A 47 8.207 20.752 19.525 1.00 0.00 H +HETATM 561 H5 HMW A 47 7.812 21.230 17.909 1.00 0.00 H +HETATM 562 H6 HMW A 47 7.276 18.834 18.280 1.00 0.00 H +HETATM 563 H7 HMW A 47 8.914 18.405 18.644 1.00 0.00 H +HETATM 564 H8 HMW A 47 8.815 17.994 16.583 1.00 0.00 H +HETATM 565 C1 HMW A 48 4.759 6.428 24.203 1.00 0.00 C +HETATM 566 C2 HMW A 48 4.695 7.713 23.349 1.00 0.00 C +HETATM 567 C3 HMW A 48 4.730 7.448 21.862 1.00 0.00 C +HETATM 568 O1 HMW A 48 3.546 6.742 21.339 1.00 0.00 O +HETATM 569 H1 HMW A 48 4.002 5.695 23.925 1.00 0.00 H +HETATM 570 H2 HMW A 48 5.726 5.959 24.021 1.00 0.00 H +HETATM 571 H3 HMW A 48 4.657 6.645 25.267 1.00 0.00 H +HETATM 572 H4 HMW A 48 3.767 8.212 23.631 1.00 0.00 H +HETATM 573 H5 HMW A 48 5.517 8.355 23.664 1.00 0.00 H +HETATM 574 H6 HMW A 48 5.666 6.937 21.636 1.00 0.00 H +HETATM 575 H7 HMW A 48 4.794 8.452 21.443 1.00 0.00 H +HETATM 576 H8 HMW A 48 3.601 6.577 20.374 1.00 0.00 H +HETATM 577 C1 HMW A 49 8.750 25.828 17.176 1.00 0.00 C +HETATM 578 C2 HMW A 49 9.053 24.395 16.592 1.00 0.00 C +HETATM 579 C3 HMW A 49 9.374 24.489 15.113 1.00 0.00 C +HETATM 580 O1 HMW A 49 10.096 23.347 14.877 1.00 0.00 O +HETATM 581 H1 HMW A 49 8.331 25.678 18.171 1.00 0.00 H +HETATM 582 H2 HMW A 49 9.703 26.331 17.338 1.00 0.00 H +HETATM 583 H3 HMW A 49 8.096 26.467 16.581 1.00 0.00 H +HETATM 584 H4 HMW A 49 9.887 23.983 17.162 1.00 0.00 H +HETATM 585 H5 HMW A 49 8.215 23.707 16.702 1.00 0.00 H +HETATM 586 H6 HMW A 49 10.004 25.341 14.858 1.00 0.00 H +HETATM 587 H7 HMW A 49 8.449 24.602 14.547 1.00 0.00 H +HETATM 588 H8 HMW A 49 9.601 22.519 15.054 1.00 0.00 H +HETATM 589 C1 HMW A 50 17.459 17.354 12.001 1.00 0.00 C +HETATM 590 C2 HMW A 50 17.461 15.845 11.837 1.00 0.00 C +HETATM 591 C3 HMW A 50 16.827 15.295 13.196 1.00 0.00 C +HETATM 592 O1 HMW A 50 16.837 13.848 13.139 1.00 0.00 O +HETATM 593 H1 HMW A 50 17.772 18.047 11.220 1.00 0.00 H +HETATM 594 H2 HMW A 50 16.490 17.644 12.406 1.00 0.00 H +HETATM 595 H3 HMW A 50 18.149 17.503 12.832 1.00 0.00 H +HETATM 596 H4 HMW A 50 16.889 15.508 10.972 1.00 0.00 H +HETATM 597 H5 HMW A 50 18.482 15.467 11.782 1.00 0.00 H +HETATM 598 H6 HMW A 50 15.847 15.759 13.310 1.00 0.00 H +HETATM 599 H7 HMW A 50 17.329 15.540 14.132 1.00 0.00 H +HETATM 600 H8 HMW A 50 16.407 13.472 13.936 1.00 0.00 H +HETATM 601 C1 HMW A 51 3.777 20.784 9.777 1.00 0.00 C +HETATM 602 C2 HMW A 51 2.545 20.641 8.844 1.00 0.00 C +HETATM 603 C3 HMW A 51 2.599 19.611 7.703 1.00 0.00 C +HETATM 604 O1 HMW A 51 3.793 19.811 6.866 1.00 0.00 O +HETATM 605 H1 HMW A 51 3.592 21.654 10.406 1.00 0.00 H +HETATM 606 H2 HMW A 51 3.863 19.838 10.311 1.00 0.00 H +HETATM 607 H3 HMW A 51 4.668 20.971 9.178 1.00 0.00 H +HETATM 608 H4 HMW A 51 1.691 20.320 9.441 1.00 0.00 H +HETATM 609 H5 HMW A 51 2.291 21.647 8.509 1.00 0.00 H +HETATM 610 H6 HMW A 51 1.717 19.661 7.065 1.00 0.00 H +HETATM 611 H7 HMW A 51 2.661 18.598 8.102 1.00 0.00 H +HETATM 612 H8 HMW A 51 3.733 19.219 6.086 1.00 0.00 H +HETATM 613 C1 HMW A 52 -2.178 -11.774 20.704 1.00 0.00 C +HETATM 614 C2 HMW A 52 -2.069 -13.075 19.941 1.00 0.00 C +HETATM 615 C3 HMW A 52 -0.729 -13.667 19.737 1.00 0.00 C +HETATM 616 O1 HMW A 52 0.185 -12.644 19.145 1.00 0.00 O +HETATM 617 H1 HMW A 52 -1.827 -11.882 21.730 1.00 0.00 H +HETATM 618 H2 HMW A 52 -1.408 -11.085 20.356 1.00 0.00 H +HETATM 619 H3 HMW A 52 -3.186 -11.365 20.771 1.00 0.00 H +HETATM 620 H4 HMW A 52 -2.686 -13.802 20.469 1.00 0.00 H +HETATM 621 H5 HMW A 52 -2.489 -13.000 18.938 1.00 0.00 H +HETATM 622 H6 HMW A 52 -0.758 -14.434 18.963 1.00 0.00 H +HETATM 623 H7 HMW A 52 -0.281 -14.085 20.638 1.00 0.00 H +HETATM 624 H8 HMW A 52 -0.237 -12.084 18.460 1.00 0.00 H +HETATM 625 C1 HMW A 53 19.757 4.013 9.354 1.00 0.00 C +HETATM 626 C2 HMW A 53 19.156 5.065 10.275 1.00 0.00 C +HETATM 627 C3 HMW A 53 19.140 6.416 9.663 1.00 0.00 C +HETATM 628 O1 HMW A 53 19.135 7.468 10.629 1.00 0.00 O +HETATM 629 H1 HMW A 53 20.738 4.160 8.900 1.00 0.00 H +HETATM 630 H2 HMW A 53 19.694 3.071 9.900 1.00 0.00 H +HETATM 631 H3 HMW A 53 19.097 3.957 8.489 1.00 0.00 H +HETATM 632 H4 HMW A 53 18.149 4.795 10.594 1.00 0.00 H +HETATM 633 H5 HMW A 53 19.687 4.999 11.224 1.00 0.00 H +HETATM 634 H6 HMW A 53 18.236 6.500 9.059 1.00 0.00 H +HETATM 635 H7 HMW A 53 19.951 6.488 8.937 1.00 0.00 H +HETATM 636 H8 HMW A 53 19.383 8.336 10.246 1.00 0.00 H +HETATM 637 C1 HMW A 54 5.198 20.362 13.359 1.00 0.00 C +HETATM 638 C2 HMW A 54 6.598 20.048 13.923 1.00 0.00 C +HETATM 639 C3 HMW A 54 6.983 21.253 14.710 1.00 0.00 C +HETATM 640 O1 HMW A 54 8.373 21.096 15.011 1.00 0.00 O +HETATM 641 H1 HMW A 54 4.636 20.961 14.075 1.00 0.00 H +HETATM 642 H2 HMW A 54 5.204 20.932 12.429 1.00 0.00 H +HETATM 643 H3 HMW A 54 4.525 19.517 13.213 1.00 0.00 H +HETATM 644 H4 HMW A 54 6.477 19.127 14.494 1.00 0.00 H +HETATM 645 H5 HMW A 54 7.266 19.858 13.083 1.00 0.00 H +HETATM 646 H6 HMW A 54 6.319 21.321 15.572 1.00 0.00 H +HETATM 647 H7 HMW A 54 6.834 22.160 14.123 1.00 0.00 H +HETATM 648 H8 HMW A 54 8.601 20.284 15.513 1.00 0.00 H +HETATM 649 C1 HMW A 55 12.778 16.600 11.541 1.00 0.00 C +HETATM 650 C2 HMW A 55 13.047 16.258 12.943 1.00 0.00 C +HETATM 651 C3 HMW A 55 13.283 14.769 13.241 1.00 0.00 C +HETATM 652 O1 HMW A 55 12.094 14.050 13.189 1.00 0.00 O +HETATM 653 H1 HMW A 55 13.663 16.603 10.905 1.00 0.00 H +HETATM 654 H2 HMW A 55 11.870 16.126 11.166 1.00 0.00 H +HETATM 655 H3 HMW A 55 12.499 17.653 11.493 1.00 0.00 H +HETATM 656 H4 HMW A 55 13.943 16.722 13.357 1.00 0.00 H +HETATM 657 H5 HMW A 55 12.236 16.592 13.590 1.00 0.00 H +HETATM 658 H6 HMW A 55 13.803 14.690 14.196 1.00 0.00 H +HETATM 659 H7 HMW A 55 13.948 14.324 12.500 1.00 0.00 H +HETATM 660 H8 HMW A 55 11.680 14.184 14.068 1.00 0.00 H +HETATM 661 C1 HMW A 56 18.913 21.473 10.662 1.00 0.00 C +HETATM 662 C2 HMW A 56 20.363 21.808 10.206 1.00 0.00 C +HETATM 663 C3 HMW A 56 20.511 23.076 9.397 1.00 0.00 C +HETATM 664 O1 HMW A 56 19.633 24.120 9.902 1.00 0.00 O +HETATM 665 H1 HMW A 56 18.309 21.290 9.774 1.00 0.00 H +HETATM 666 H2 HMW A 56 18.938 20.486 11.126 1.00 0.00 H +HETATM 667 H3 HMW A 56 18.433 22.246 11.262 1.00 0.00 H +HETATM 668 H4 HMW A 56 21.022 21.900 11.070 1.00 0.00 H +HETATM 669 H5 HMW A 56 20.782 21.016 9.586 1.00 0.00 H +HETATM 670 H6 HMW A 56 20.168 22.818 8.395 1.00 0.00 H +HETATM 671 H7 HMW A 56 21.541 23.421 9.484 1.00 0.00 H +HETATM 672 H8 HMW A 56 19.719 24.129 10.879 1.00 0.00 H +HETATM 673 C1 HMW A 57 -0.747 16.484 8.617 1.00 0.00 C +HETATM 674 C2 HMW A 57 -1.224 16.558 7.172 1.00 0.00 C +HETATM 675 C3 HMW A 57 -0.065 16.487 6.102 1.00 0.00 C +HETATM 676 O1 HMW A 57 -0.629 16.703 4.860 1.00 0.00 O +HETATM 677 H1 HMW A 57 -1.574 16.393 9.321 1.00 0.00 H +HETATM 678 H2 HMW A 57 -0.187 15.561 8.773 1.00 0.00 H +HETATM 679 H3 HMW A 57 -0.157 17.376 8.829 1.00 0.00 H +HETATM 680 H4 HMW A 57 -1.980 15.789 7.012 1.00 0.00 H +HETATM 681 H5 HMW A 57 -1.794 17.461 6.957 1.00 0.00 H +HETATM 682 H6 HMW A 57 0.419 15.511 6.083 1.00 0.00 H +HETATM 683 H7 HMW A 57 0.681 17.252 6.320 1.00 0.00 H +HETATM 684 H8 HMW A 57 0.012 16.712 4.117 1.00 0.00 H +HETATM 685 C1 HMW A 58 -4.062 8.523 23.144 1.00 0.00 C +HETATM 686 C2 HMW A 58 -3.161 9.633 22.494 1.00 0.00 C +HETATM 687 C3 HMW A 58 -2.488 9.200 21.154 1.00 0.00 C +HETATM 688 O1 HMW A 58 -1.515 8.140 21.552 1.00 0.00 O +HETATM 689 H1 HMW A 58 -3.504 7.614 23.369 1.00 0.00 H +HETATM 690 H2 HMW A 58 -4.355 8.890 24.128 1.00 0.00 H +HETATM 691 H3 HMW A 58 -4.932 8.308 22.523 1.00 0.00 H +HETATM 692 H4 HMW A 58 -3.776 10.508 22.286 1.00 0.00 H +HETATM 693 H5 HMW A 58 -2.414 9.887 23.246 1.00 0.00 H +HETATM 694 H6 HMW A 58 -1.931 10.014 20.690 1.00 0.00 H +HETATM 695 H7 HMW A 58 -3.212 8.693 20.516 1.00 0.00 H +HETATM 696 H8 HMW A 58 -1.885 7.378 22.047 1.00 0.00 H +HETATM 697 C1 HMW A 59 12.969 22.077 22.367 1.00 0.00 C +HETATM 698 C2 HMW A 59 11.856 22.167 21.325 1.00 0.00 C +HETATM 699 C3 HMW A 59 10.650 22.945 21.938 1.00 0.00 C +HETATM 700 O1 HMW A 59 9.974 22.276 22.944 1.00 0.00 O +HETATM 701 H1 HMW A 59 12.719 21.404 23.188 1.00 0.00 H +HETATM 702 H2 HMW A 59 13.904 21.808 21.875 1.00 0.00 H +HETATM 703 H3 HMW A 59 13.078 23.015 22.913 1.00 0.00 H +HETATM 704 H4 HMW A 59 12.201 22.645 20.408 1.00 0.00 H +HETATM 705 H5 HMW A 59 11.611 21.155 21.001 1.00 0.00 H +HETATM 706 H6 HMW A 59 10.014 23.197 21.089 1.00 0.00 H +HETATM 707 H7 HMW A 59 10.949 23.905 22.360 1.00 0.00 H +HETATM 708 H8 HMW A 59 9.267 22.800 23.377 1.00 0.00 H +HETATM 709 C1 HMW A 60 28.055 2.047 28.001 1.00 0.00 C +HETATM 710 C2 HMW A 60 29.334 2.649 27.486 1.00 0.00 C +HETATM 711 C3 HMW A 60 30.078 1.587 26.613 1.00 0.00 C +HETATM 712 O1 HMW A 60 29.467 1.248 25.335 1.00 0.00 O +HETATM 713 H1 HMW A 60 28.265 1.185 28.634 1.00 0.00 H +HETATM 714 H2 HMW A 60 27.423 2.734 28.563 1.00 0.00 H +HETATM 715 H3 HMW A 60 27.407 1.602 27.246 1.00 0.00 H +HETATM 716 H4 HMW A 60 29.095 3.595 27.001 1.00 0.00 H +HETATM 717 H5 HMW A 60 29.929 2.921 28.358 1.00 0.00 H +HETATM 718 H6 HMW A 60 30.314 0.645 27.107 1.00 0.00 H +HETATM 719 H7 HMW A 60 31.016 2.086 26.367 1.00 0.00 H +HETATM 720 H8 HMW A 60 30.014 0.665 24.767 1.00 0.00 H +HETATM 721 C1 HMW A 61 19.537 -5.907 29.740 1.00 0.00 C +HETATM 722 C2 HMW A 61 19.337 -4.979 30.844 1.00 0.00 C +HETATM 723 C3 HMW A 61 18.271 -5.518 31.821 1.00 0.00 C +HETATM 724 O1 HMW A 61 16.864 -5.351 31.492 1.00 0.00 O +HETATM 725 H1 HMW A 61 20.173 -5.422 29.000 1.00 0.00 H +HETATM 726 H2 HMW A 61 20.070 -6.812 30.034 1.00 0.00 H +HETATM 727 H3 HMW A 61 18.625 -6.164 29.200 1.00 0.00 H +HETATM 728 H4 HMW A 61 20.276 -5.025 31.396 1.00 0.00 H +HETATM 729 H5 HMW A 61 19.132 -3.996 30.420 1.00 0.00 H +HETATM 730 H6 HMW A 61 18.415 -5.073 32.806 1.00 0.00 H +HETATM 731 H7 HMW A 61 18.481 -6.563 32.047 1.00 0.00 H +HETATM 732 H8 HMW A 61 16.684 -4.432 31.198 1.00 0.00 H +HETATM 733 C1 HMW A 62 14.479 6.722 11.046 1.00 0.00 C +HETATM 734 C2 HMW A 62 14.839 7.257 12.460 1.00 0.00 C +HETATM 735 C3 HMW A 62 13.755 7.927 13.231 1.00 0.00 C +HETATM 736 O1 HMW A 62 12.722 6.978 13.545 1.00 0.00 O +HETATM 737 H1 HMW A 62 13.925 7.468 10.477 1.00 0.00 H +HETATM 738 H2 HMW A 62 15.355 6.424 10.469 1.00 0.00 H +HETATM 739 H3 HMW A 62 13.811 5.872 11.187 1.00 0.00 H +HETATM 740 H4 HMW A 62 15.234 6.475 13.109 1.00 0.00 H +HETATM 741 H5 HMW A 62 15.582 8.040 12.312 1.00 0.00 H +HETATM 742 H6 HMW A 62 13.345 8.775 12.682 1.00 0.00 H +HETATM 743 H7 HMW A 62 14.106 8.301 14.193 1.00 0.00 H +HETATM 744 H8 HMW A 62 13.010 6.214 14.089 1.00 0.00 H +HETATM 745 C1 HMW A 63 22.610 -9.356 -8.460 1.00 0.00 C +HETATM 746 C2 HMW A 63 23.167 -8.107 -7.892 1.00 0.00 C +HETATM 747 C3 HMW A 63 23.806 -7.170 -8.972 1.00 0.00 C +HETATM 748 O1 HMW A 63 25.036 -7.758 -9.461 1.00 0.00 O +HETATM 749 H1 HMW A 63 23.344 -10.110 -8.745 1.00 0.00 H +HETATM 750 H2 HMW A 63 21.918 -9.792 -7.739 1.00 0.00 H +HETATM 751 H3 HMW A 63 22.002 -9.069 -9.318 1.00 0.00 H +HETATM 752 H4 HMW A 63 22.324 -7.638 -7.383 1.00 0.00 H +HETATM 753 H5 HMW A 63 23.862 -8.324 -7.080 1.00 0.00 H +HETATM 754 H6 HMW A 63 24.000 -6.174 -8.575 1.00 0.00 H +HETATM 755 H7 HMW A 63 23.037 -7.068 -9.737 1.00 0.00 H +HETATM 756 H8 HMW A 63 25.506 -7.121 -10.042 1.00 0.00 H +HETATM 757 C1 HMW A 64 9.951 8.204 4.832 1.00 0.00 C +HETATM 758 C2 HMW A 64 10.910 7.661 3.694 1.00 0.00 C +HETATM 759 C3 HMW A 64 11.658 8.664 2.844 1.00 0.00 C +HETATM 760 O1 HMW A 64 10.864 9.606 2.146 1.00 0.00 O +HETATM 761 H1 HMW A 64 8.954 8.377 4.428 1.00 0.00 H +HETATM 762 H2 HMW A 64 9.897 7.488 5.652 1.00 0.00 H +HETATM 763 H3 HMW A 64 10.343 9.135 5.242 1.00 0.00 H +HETATM 764 H4 HMW A 64 11.592 6.923 4.114 1.00 0.00 H +HETATM 765 H5 HMW A 64 10.306 6.955 3.124 1.00 0.00 H +HETATM 766 H6 HMW A 64 12.220 8.108 2.094 1.00 0.00 H +HETATM 767 H7 HMW A 64 12.316 9.248 3.487 1.00 0.00 H +HETATM 768 H8 HMW A 64 10.222 9.204 1.522 1.00 0.00 H +HETATM 769 C1 HMW A 65 15.387 18.798 22.564 1.00 0.00 C +HETATM 770 C2 HMW A 65 14.557 17.698 21.811 1.00 0.00 C +HETATM 771 C3 HMW A 65 15.190 16.893 20.752 1.00 0.00 C +HETATM 772 O1 HMW A 65 15.349 17.472 19.471 1.00 0.00 O +HETATM 773 H1 HMW A 65 16.174 18.346 23.168 1.00 0.00 H +HETATM 774 H2 HMW A 65 15.852 19.507 21.880 1.00 0.00 H +HETATM 775 H3 HMW A 65 14.700 19.353 23.204 1.00 0.00 H +HETATM 776 H4 HMW A 65 14.025 17.118 22.565 1.00 0.00 H +HETATM 777 H5 HMW A 65 13.804 18.314 21.320 1.00 0.00 H +HETATM 778 H6 HMW A 65 14.590 15.994 20.613 1.00 0.00 H +HETATM 779 H7 HMW A 65 16.182 16.577 21.077 1.00 0.00 H +HETATM 780 H8 HMW A 65 14.615 18.091 19.270 1.00 0.00 H +HETATM 781 C1 HMW A 66 -4.218 1.717 27.194 1.00 0.00 C +HETATM 782 C2 HMW A 66 -3.349 2.773 26.472 1.00 0.00 C +HETATM 783 C3 HMW A 66 -4.059 3.894 25.727 1.00 0.00 C +HETATM 784 O1 HMW A 66 -3.167 4.563 24.872 1.00 0.00 O +HETATM 785 H1 HMW A 66 -3.531 0.974 27.599 1.00 0.00 H +HETATM 786 H2 HMW A 66 -4.899 2.166 27.917 1.00 0.00 H +HETATM 787 H3 HMW A 66 -4.827 1.231 26.431 1.00 0.00 H +HETATM 788 H4 HMW A 66 -2.611 3.286 27.089 1.00 0.00 H +HETATM 789 H5 HMW A 66 -2.716 2.206 25.789 1.00 0.00 H +HETATM 790 H6 HMW A 66 -4.543 4.559 26.442 1.00 0.00 H +HETATM 791 H7 HMW A 66 -4.857 3.444 25.136 1.00 0.00 H +HETATM 792 H8 HMW A 66 -2.362 4.910 25.312 1.00 0.00 H +HETATM 793 C1 HMW A 67 5.156 23.928 15.516 1.00 0.00 C +HETATM 794 C2 HMW A 67 4.843 25.172 16.433 1.00 0.00 C +HETATM 795 C3 HMW A 67 3.391 25.743 16.230 1.00 0.00 C +HETATM 796 O1 HMW A 67 3.193 26.347 14.971 1.00 0.00 O +HETATM 797 H1 HMW A 67 4.811 23.998 14.484 1.00 0.00 H +HETATM 798 H2 HMW A 67 6.244 23.928 15.459 1.00 0.00 H +HETATM 799 H3 HMW A 67 4.698 23.048 15.969 1.00 0.00 H +HETATM 800 H4 HMW A 67 4.929 24.726 17.424 1.00 0.00 H +HETATM 801 H5 HMW A 67 5.616 25.919 16.249 1.00 0.00 H +HETATM 802 H6 HMW A 67 3.108 26.458 17.003 1.00 0.00 H +HETATM 803 H7 HMW A 67 2.728 24.884 16.326 1.00 0.00 H +HETATM 804 H8 HMW A 67 3.798 27.109 14.840 1.00 0.00 H +HETATM 805 C1 HMW A 68 17.474 15.241 6.828 1.00 0.00 C +HETATM 806 C2 HMW A 68 16.582 14.101 7.134 1.00 0.00 C +HETATM 807 C3 HMW A 68 15.970 13.411 5.902 1.00 0.00 C +HETATM 808 O1 HMW A 68 17.041 12.770 5.122 1.00 0.00 O +HETATM 809 H1 HMW A 68 16.990 16.085 6.336 1.00 0.00 H +HETATM 810 H2 HMW A 68 17.909 15.611 7.757 1.00 0.00 H +HETATM 811 H3 HMW A 68 18.397 14.924 6.342 1.00 0.00 H +HETATM 812 H4 HMW A 68 17.140 13.357 7.703 1.00 0.00 H +HETATM 813 H5 HMW A 68 15.772 14.443 7.778 1.00 0.00 H +HETATM 814 H6 HMW A 68 15.487 14.128 5.238 1.00 0.00 H +HETATM 815 H7 HMW A 68 15.258 12.646 6.213 1.00 0.00 H +HETATM 816 H8 HMW A 68 16.638 12.108 4.522 1.00 0.00 H +HETATM 817 C1 HMW A 69 19.322 21.186 21.096 1.00 0.00 C +HETATM 818 C2 HMW A 69 19.009 22.527 21.690 1.00 0.00 C +HETATM 819 C3 HMW A 69 19.086 22.420 23.187 1.00 0.00 C +HETATM 820 O1 HMW A 69 19.043 23.709 23.780 1.00 0.00 O +HETATM 821 H1 HMW A 69 20.372 20.910 21.198 1.00 0.00 H +HETATM 822 H2 HMW A 69 18.779 20.400 21.622 1.00 0.00 H +HETATM 823 H3 HMW A 69 18.859 21.195 20.109 1.00 0.00 H +HETATM 824 H4 HMW A 69 19.779 23.187 21.289 1.00 0.00 H +HETATM 825 H5 HMW A 69 18.026 22.838 21.336 1.00 0.00 H +HETATM 826 H6 HMW A 69 19.991 21.887 23.479 1.00 0.00 H +HETATM 827 H7 HMW A 69 18.254 21.787 23.495 1.00 0.00 H +HETATM 828 H8 HMW A 69 18.164 24.115 23.623 1.00 0.00 H +HETATM 829 C1 HMW A 70 24.069 0.670 20.378 1.00 0.00 C +HETATM 830 C2 HMW A 70 24.538 1.366 21.573 1.00 0.00 C +HETATM 831 C3 HMW A 70 26.087 1.232 21.899 1.00 0.00 C +HETATM 832 O1 HMW A 70 26.899 1.890 20.922 1.00 0.00 O +HETATM 833 H1 HMW A 70 22.981 0.703 20.328 1.00 0.00 H +HETATM 834 H2 HMW A 70 24.368 1.174 19.459 1.00 0.00 H +HETATM 835 H3 HMW A 70 24.367 -0.378 20.423 1.00 0.00 H +HETATM 836 H4 HMW A 70 24.267 2.422 21.544 1.00 0.00 H +HETATM 837 H5 HMW A 70 23.954 0.923 22.380 1.00 0.00 H +HETATM 838 H6 HMW A 70 26.373 0.181 21.951 1.00 0.00 H +HETATM 839 H7 HMW A 70 26.233 1.576 22.923 1.00 0.00 H +HETATM 840 H8 HMW A 70 26.500 2.750 20.672 1.00 0.00 H +HETATM 841 C1 HMW A 71 11.227 17.682 28.638 1.00 0.00 C +HETATM 842 C2 HMW A 71 11.983 17.932 27.308 1.00 0.00 C +HETATM 843 C3 HMW A 71 11.334 17.122 26.171 1.00 0.00 C +HETATM 844 O1 HMW A 71 9.994 17.527 25.972 1.00 0.00 O +HETATM 845 H1 HMW A 71 11.585 18.375 29.400 1.00 0.00 H +HETATM 846 H2 HMW A 71 10.183 17.991 28.605 1.00 0.00 H +HETATM 847 H3 HMW A 71 11.214 16.656 29.006 1.00 0.00 H +HETATM 848 H4 HMW A 71 11.928 18.997 27.079 1.00 0.00 H +HETATM 849 H5 HMW A 71 13.046 17.692 27.342 1.00 0.00 H +HETATM 850 H6 HMW A 71 11.288 16.064 26.429 1.00 0.00 H +HETATM 851 H7 HMW A 71 11.860 17.227 25.221 1.00 0.00 H +HETATM 852 H8 HMW A 71 9.943 18.496 25.824 1.00 0.00 H +HETATM 853 C1 HMW A 72 -3.002 -4.354 13.585 1.00 0.00 C +HETATM 854 C2 HMW A 72 -2.546 -3.100 14.287 1.00 0.00 C +HETATM 855 C3 HMW A 72 -1.868 -3.460 15.579 1.00 0.00 C +HETATM 856 O1 HMW A 72 -0.606 -3.963 15.303 1.00 0.00 O +HETATM 857 H1 HMW A 72 -2.093 -4.773 13.154 1.00 0.00 H +HETATM 858 H2 HMW A 72 -3.489 -5.068 14.249 1.00 0.00 H +HETATM 859 H3 HMW A 72 -3.654 -4.002 12.785 1.00 0.00 H +HETATM 860 H4 HMW A 72 -1.972 -2.472 13.607 1.00 0.00 H +HETATM 861 H5 HMW A 72 -3.436 -2.564 14.618 1.00 0.00 H +HETATM 862 H6 HMW A 72 -2.437 -4.143 16.210 1.00 0.00 H +HETATM 863 H7 HMW A 72 -1.729 -2.543 16.152 1.00 0.00 H +HETATM 864 H8 HMW A 72 -0.066 -3.248 14.903 1.00 0.00 H +HETATM 865 C1 HMW A 73 -8.114 -14.624 42.967 1.00 0.00 C +HETATM 866 C2 HMW A 73 -9.442 -15.289 43.611 1.00 0.00 C +HETATM 867 C3 HMW A 73 -10.745 -14.987 42.882 1.00 0.00 C +HETATM 868 O1 HMW A 73 -11.011 -13.612 42.701 1.00 0.00 O +HETATM 869 H1 HMW A 73 -8.208 -13.551 42.793 1.00 0.00 H +HETATM 870 H2 HMW A 73 -7.216 -14.727 43.577 1.00 0.00 H +HETATM 871 H3 HMW A 73 -7.893 -15.005 41.970 1.00 0.00 H +HETATM 872 H4 HMW A 73 -9.341 -16.367 43.735 1.00 0.00 H +HETATM 873 H5 HMW A 73 -9.580 -14.976 44.646 1.00 0.00 H +HETATM 874 H6 HMW A 73 -11.550 -15.388 43.498 1.00 0.00 H +HETATM 875 H7 HMW A 73 -10.696 -15.589 41.974 1.00 0.00 H +HETATM 876 H8 HMW A 73 -11.047 -13.124 43.552 1.00 0.00 H +HETATM 877 C1 HMW A 74 23.004 6.729 15.110 1.00 0.00 C +HETATM 878 C2 HMW A 74 24.487 6.743 15.384 1.00 0.00 C +HETATM 879 C3 HMW A 74 25.292 6.974 14.101 1.00 0.00 C +HETATM 880 O1 HMW A 74 26.646 6.619 14.446 1.00 0.00 O +HETATM 881 H1 HMW A 74 22.688 7.711 14.756 1.00 0.00 H +HETATM 882 H2 HMW A 74 22.798 5.864 14.480 1.00 0.00 H +HETATM 883 H3 HMW A 74 22.501 6.448 16.035 1.00 0.00 H +HETATM 884 H4 HMW A 74 24.774 7.581 16.019 1.00 0.00 H +HETATM 885 H5 HMW A 74 24.680 5.773 15.841 1.00 0.00 H +HETATM 886 H6 HMW A 74 25.150 8.007 13.781 1.00 0.00 H +HETATM 887 H7 HMW A 74 25.049 6.270 13.305 1.00 0.00 H +HETATM 888 H8 HMW A 74 26.647 5.663 14.670 1.00 0.00 H +HETATM 889 C1 HMW A 75 -5.939 14.233 13.423 1.00 0.00 C +HETATM 890 C2 HMW A 75 -5.233 15.280 14.373 1.00 0.00 C +HETATM 891 C3 HMW A 75 -3.821 15.550 13.963 1.00 0.00 C +HETATM 892 O1 HMW A 75 -2.982 14.346 13.930 1.00 0.00 O +HETATM 893 H1 HMW A 75 -6.950 13.961 13.725 1.00 0.00 H +HETATM 894 H2 HMW A 75 -5.912 14.590 12.393 1.00 0.00 H +HETATM 895 H3 HMW A 75 -5.463 13.254 13.488 1.00 0.00 H +HETATM 896 H4 HMW A 75 -5.769 16.224 14.471 1.00 0.00 H +HETATM 897 H5 HMW A 75 -5.286 14.909 15.396 1.00 0.00 H +HETATM 898 H6 HMW A 75 -3.402 16.360 14.558 1.00 0.00 H +HETATM 899 H7 HMW A 75 -3.937 15.958 12.959 1.00 0.00 H +HETATM 900 H8 HMW A 75 -2.090 14.532 13.566 1.00 0.00 H +HETATM 901 C1 HMW A 76 8.038 13.998 7.963 1.00 0.00 C +HETATM 902 C2 HMW A 76 9.388 13.962 8.687 1.00 0.00 C +HETATM 903 C3 HMW A 76 9.097 13.952 10.166 1.00 0.00 C +HETATM 904 O1 HMW A 76 8.281 12.789 10.415 1.00 0.00 O +HETATM 905 H1 HMW A 76 7.340 14.739 8.352 1.00 0.00 H +HETATM 906 H2 HMW A 76 8.258 14.230 6.921 1.00 0.00 H +HETATM 907 H3 HMW A 76 7.522 13.039 7.910 1.00 0.00 H +HETATM 908 H4 HMW A 76 10.012 13.130 8.359 1.00 0.00 H +HETATM 909 H5 HMW A 76 10.000 14.845 8.501 1.00 0.00 H +HETATM 910 H6 HMW A 76 8.601 14.889 10.421 1.00 0.00 H +HETATM 911 H7 HMW A 76 10.021 13.794 10.721 1.00 0.00 H +HETATM 912 H8 HMW A 76 8.798 11.984 10.198 1.00 0.00 H +HETATM 913 C1 HMW A 77 10.892 19.206 9.292 1.00 0.00 C +HETATM 914 C2 HMW A 77 11.479 18.990 7.933 1.00 0.00 C +HETATM 915 C3 HMW A 77 10.480 18.731 6.797 1.00 0.00 C +HETATM 916 O1 HMW A 77 10.008 17.380 6.922 1.00 0.00 O +HETATM 917 H1 HMW A 77 10.154 20.003 9.193 1.00 0.00 H +HETATM 918 H2 HMW A 77 10.493 18.287 9.721 1.00 0.00 H +HETATM 919 H3 HMW A 77 11.717 19.521 9.931 1.00 0.00 H +HETATM 920 H4 HMW A 77 12.086 19.857 7.669 1.00 0.00 H +HETATM 921 H5 HMW A 77 12.119 18.115 8.051 1.00 0.00 H +HETATM 922 H6 HMW A 77 10.876 18.967 5.809 1.00 0.00 H +HETATM 923 H7 HMW A 77 9.694 19.470 6.952 1.00 0.00 H +HETATM 924 H8 HMW A 77 10.740 16.794 6.634 1.00 0.00 H +HETATM 925 C1 HMW A 78 15.088 5.722 20.806 1.00 0.00 C +HETATM 926 C2 HMW A 78 16.358 4.985 21.239 1.00 0.00 C +HETATM 927 C3 HMW A 78 16.247 4.205 22.555 1.00 0.00 C +HETATM 928 O1 HMW A 78 15.942 5.054 23.710 1.00 0.00 O +HETATM 929 H1 HMW A 78 15.221 6.156 19.815 1.00 0.00 H +HETATM 930 H2 HMW A 78 14.184 5.119 20.895 1.00 0.00 H +HETATM 931 H3 HMW A 78 14.881 6.490 21.551 1.00 0.00 H +HETATM 932 H4 HMW A 78 16.687 4.340 20.424 1.00 0.00 H +HETATM 933 H5 HMW A 78 17.208 5.647 21.407 1.00 0.00 H +HETATM 934 H6 HMW A 78 17.207 3.696 22.647 1.00 0.00 H +HETATM 935 H7 HMW A 78 15.522 3.392 22.507 1.00 0.00 H +HETATM 936 H8 HMW A 78 16.591 5.773 23.869 1.00 0.00 H +HETATM 937 C1 HMW A 79 23.879 2.840 10.738 1.00 0.00 C +HETATM 938 C2 HMW A 79 24.688 4.078 10.310 1.00 0.00 C +HETATM 939 C3 HMW A 79 23.829 5.403 10.314 1.00 0.00 C +HETATM 940 O1 HMW A 79 24.646 6.487 9.917 1.00 0.00 O +HETATM 941 H1 HMW A 79 24.540 1.979 10.639 1.00 0.00 H +HETATM 942 H2 HMW A 79 23.588 3.021 11.773 1.00 0.00 H +HETATM 943 H3 HMW A 79 22.957 2.702 10.173 1.00 0.00 H +HETATM 944 H4 HMW A 79 25.474 4.204 11.054 1.00 0.00 H +HETATM 945 H5 HMW A 79 25.190 3.884 9.362 1.00 0.00 H +HETATM 946 H6 HMW A 79 23.566 5.539 11.363 1.00 0.00 H +HETATM 947 H7 HMW A 79 22.963 5.317 9.656 1.00 0.00 H +HETATM 948 H8 HMW A 79 25.096 6.348 9.056 1.00 0.00 H +HETATM 949 C1 HMW A 80 1.902 9.465 18.671 1.00 0.00 C +HETATM 950 C2 HMW A 80 0.350 9.139 18.623 1.00 0.00 C +HETATM 951 C3 HMW A 80 -0.316 10.081 17.619 1.00 0.00 C +HETATM 952 O1 HMW A 80 0.010 9.606 16.364 1.00 0.00 O +HETATM 953 H1 HMW A 80 2.335 9.648 17.687 1.00 0.00 H +HETATM 954 H2 HMW A 80 2.108 10.281 19.363 1.00 0.00 H +HETATM 955 H3 HMW A 80 2.439 8.648 19.153 1.00 0.00 H +HETATM 956 H4 HMW A 80 0.209 8.076 18.428 1.00 0.00 H +HETATM 957 H5 HMW A 80 -0.021 9.392 19.616 1.00 0.00 H +HETATM 958 H6 HMW A 80 -0.006 11.109 17.807 1.00 0.00 H +HETATM 959 H7 HMW A 80 -1.383 10.057 17.839 1.00 0.00 H +HETATM 960 H8 HMW A 80 -0.607 9.969 15.693 1.00 0.00 H +HETATM 961 C1 HMW A 81 28.866 7.163 25.669 1.00 0.00 C +HETATM 962 C2 HMW A 81 27.457 7.722 25.844 1.00 0.00 C +HETATM 963 C3 HMW A 81 26.377 6.972 25.060 1.00 0.00 C +HETATM 964 O1 HMW A 81 26.261 5.639 25.555 1.00 0.00 O +HETATM 965 H1 HMW A 81 29.144 6.708 24.718 1.00 0.00 H +HETATM 966 H2 HMW A 81 29.621 7.902 25.935 1.00 0.00 H +HETATM 967 H3 HMW A 81 28.971 6.277 26.295 1.00 0.00 H +HETATM 968 H4 HMW A 81 27.191 7.895 26.887 1.00 0.00 H +HETATM 969 H5 HMW A 81 27.502 8.758 25.506 1.00 0.00 H +HETATM 970 H6 HMW A 81 26.631 6.983 24.000 1.00 0.00 H +HETATM 971 H7 HMW A 81 25.414 7.417 25.312 1.00 0.00 H +HETATM 972 H8 HMW A 81 27.077 5.147 25.321 1.00 0.00 H +HETATM 973 C1 HMW A 82 10.690 7.242 8.835 1.00 0.00 C +HETATM 974 C2 HMW A 82 10.963 8.775 8.969 1.00 0.00 C +HETATM 975 C3 HMW A 82 10.153 9.255 10.169 1.00 0.00 C +HETATM 976 O1 HMW A 82 10.132 10.688 10.269 1.00 0.00 O +HETATM 977 H1 HMW A 82 11.647 6.785 8.582 1.00 0.00 H +HETATM 978 H2 HMW A 82 10.506 6.815 9.821 1.00 0.00 H +HETATM 979 H3 HMW A 82 9.843 7.002 8.193 1.00 0.00 H +HETATM 980 H4 HMW A 82 12.024 9.015 9.041 1.00 0.00 H +HETATM 981 H5 HMW A 82 10.509 9.226 8.086 1.00 0.00 H +HETATM 982 H6 HMW A 82 10.697 8.884 11.038 1.00 0.00 H +HETATM 983 H7 HMW A 82 9.103 8.981 10.061 1.00 0.00 H +HETATM 984 H8 HMW A 82 10.971 11.090 10.581 1.00 0.00 H +HETATM 985 C1 HMW A 83 21.956 17.156 22.551 1.00 0.00 C +HETATM 986 C2 HMW A 83 20.699 18.049 22.799 1.00 0.00 C +HETATM 987 C3 HMW A 83 19.388 17.167 22.890 1.00 0.00 C +HETATM 988 O1 HMW A 83 18.935 16.761 21.609 1.00 0.00 O +HETATM 989 H1 HMW A 83 21.808 16.591 21.631 1.00 0.00 H +HETATM 990 H2 HMW A 83 22.767 17.855 22.345 1.00 0.00 H +HETATM 991 H3 HMW A 83 22.277 16.659 23.467 1.00 0.00 H +HETATM 992 H4 HMW A 83 20.892 18.623 23.706 1.00 0.00 H +HETATM 993 H5 HMW A 83 20.548 18.831 22.054 1.00 0.00 H +HETATM 994 H6 HMW A 83 18.596 17.742 23.371 1.00 0.00 H +HETATM 995 H7 HMW A 83 19.505 16.364 23.619 1.00 0.00 H +HETATM 996 H8 HMW A 83 18.813 17.595 21.106 1.00 0.00 H +HETATM 997 C1 HMW A 84 23.492 -3.204 20.576 1.00 0.00 C +HETATM 998 C2 HMW A 84 22.664 -2.786 19.331 1.00 0.00 C +HETATM 999 C3 HMW A 84 22.192 -3.945 18.339 1.00 0.00 C +HETATM 1000 O1 HMW A 84 21.879 -5.062 19.186 1.00 0.00 O +HETATM 1001 H1 HMW A 84 23.817 -2.367 21.194 1.00 0.00 H +HETATM 1002 H2 HMW A 84 22.805 -3.843 21.132 1.00 0.00 H +HETATM 1003 H3 HMW A 84 24.405 -3.746 20.329 1.00 0.00 H +HETATM 1004 H4 HMW A 84 21.846 -2.142 19.651 1.00 0.00 H +HETATM 1005 H5 HMW A 84 23.244 -2.093 18.721 1.00 0.00 H +HETATM 1006 H6 HMW A 84 22.991 -4.210 17.647 1.00 0.00 H +HETATM 1007 H7 HMW A 84 21.358 -3.541 17.765 1.00 0.00 H +HETATM 1008 H8 HMW A 84 21.172 -4.848 19.832 1.00 0.00 H +HETATM 1009 C1 HMW A 85 13.118 25.535 17.837 1.00 0.00 C +HETATM 1010 C2 HMW A 85 13.414 27.020 18.148 1.00 0.00 C +HETATM 1011 C3 HMW A 85 14.623 27.565 17.424 1.00 0.00 C +HETATM 1012 O1 HMW A 85 15.804 26.846 17.741 1.00 0.00 O +HETATM 1013 H1 HMW A 85 13.424 25.241 16.832 1.00 0.00 H +HETATM 1014 H2 HMW A 85 13.795 24.872 18.376 1.00 0.00 H +HETATM 1015 H3 HMW A 85 12.114 25.199 18.095 1.00 0.00 H +HETATM 1016 H4 HMW A 85 12.566 27.627 17.829 1.00 0.00 H +HETATM 1017 H5 HMW A 85 13.565 27.123 19.223 1.00 0.00 H +HETATM 1018 H6 HMW A 85 14.860 28.561 17.799 1.00 0.00 H +HETATM 1019 H7 HMW A 85 14.468 27.577 16.345 1.00 0.00 H +HETATM 1020 H8 HMW A 85 15.766 25.883 17.555 1.00 0.00 H +HETATM 1021 C1 HMW A 86 5.537 25.838 11.159 1.00 0.00 C +HETATM 1022 C2 HMW A 86 7.020 25.367 11.451 1.00 0.00 C +HETATM 1023 C3 HMW A 86 7.935 26.450 11.963 1.00 0.00 C +HETATM 1024 O1 HMW A 86 7.365 27.139 13.088 1.00 0.00 O +HETATM 1025 H1 HMW A 86 5.145 26.210 12.106 1.00 0.00 H +HETATM 1026 H2 HMW A 86 5.527 26.681 10.468 1.00 0.00 H +HETATM 1027 H3 HMW A 86 4.864 25.047 10.831 1.00 0.00 H +HETATM 1028 H4 HMW A 86 7.011 24.554 12.177 1.00 0.00 H +HETATM 1029 H5 HMW A 86 7.497 25.112 10.504 1.00 0.00 H +HETATM 1030 H6 HMW A 86 8.103 27.115 11.116 1.00 0.00 H +HETATM 1031 H7 HMW A 86 8.868 26.010 12.316 1.00 0.00 H +HETATM 1032 H8 HMW A 86 8.053 27.695 13.512 1.00 0.00 H +HETATM 1033 C1 HMW A 87 16.744 2.330 31.695 1.00 0.00 C +HETATM 1034 C2 HMW A 87 17.830 3.333 32.176 1.00 0.00 C +HETATM 1035 C3 HMW A 87 17.537 4.764 31.891 1.00 0.00 C +HETATM 1036 O1 HMW A 87 17.545 4.928 30.468 1.00 0.00 O +HETATM 1037 H1 HMW A 87 15.786 2.615 32.131 1.00 0.00 H +HETATM 1038 H2 HMW A 87 16.719 2.358 30.606 1.00 0.00 H +HETATM 1039 H3 HMW A 87 16.988 1.301 31.961 1.00 0.00 H +HETATM 1040 H4 HMW A 87 17.880 3.243 33.261 1.00 0.00 H +HETATM 1041 H5 HMW A 87 18.805 3.075 31.761 1.00 0.00 H +HETATM 1042 H6 HMW A 87 18.300 5.329 32.427 1.00 0.00 H +HETATM 1043 H7 HMW A 87 16.562 5.069 32.271 1.00 0.00 H +HETATM 1044 H8 HMW A 87 18.348 4.539 30.061 1.00 0.00 H +HETATM 1045 C1 HMW A 88 8.990 25.793 6.415 1.00 0.00 C +HETATM 1046 C2 HMW A 88 8.469 26.415 7.736 1.00 0.00 C +HETATM 1047 C3 HMW A 88 7.097 27.086 7.591 1.00 0.00 C +HETATM 1048 O1 HMW A 88 6.141 26.196 7.091 1.00 0.00 O +HETATM 1049 H1 HMW A 88 8.864 26.470 5.570 1.00 0.00 H +HETATM 1050 H2 HMW A 88 10.038 25.509 6.510 1.00 0.00 H +HETATM 1051 H3 HMW A 88 8.316 24.952 6.247 1.00 0.00 H +HETATM 1052 H4 HMW A 88 8.465 25.605 8.465 1.00 0.00 H +HETATM 1053 H5 HMW A 88 9.210 27.109 8.133 1.00 0.00 H +HETATM 1054 H6 HMW A 88 7.098 27.979 6.965 1.00 0.00 H +HETATM 1055 H7 HMW A 88 6.767 27.439 8.568 1.00 0.00 H +HETATM 1056 H8 HMW A 88 6.260 25.880 6.169 1.00 0.00 H +HETATM 1057 C1 HMW A 89 3.246 15.817 27.682 1.00 0.00 C +HETATM 1058 C2 HMW A 89 3.809 15.651 26.263 1.00 0.00 C +HETATM 1059 C3 HMW A 89 4.847 16.680 25.927 1.00 0.00 C +HETATM 1060 O1 HMW A 89 4.313 17.978 25.950 1.00 0.00 O +HETATM 1061 H1 HMW A 89 2.417 15.148 27.910 1.00 0.00 H +HETATM 1062 H2 HMW A 89 3.989 15.541 28.430 1.00 0.00 H +HETATM 1063 H3 HMW A 89 3.140 16.890 27.846 1.00 0.00 H +HETATM 1064 H4 HMW A 89 4.244 14.652 26.225 1.00 0.00 H +HETATM 1065 H5 HMW A 89 2.999 15.692 25.534 1.00 0.00 H +HETATM 1066 H6 HMW A 89 5.232 16.382 24.951 1.00 0.00 H +HETATM 1067 H7 HMW A 89 5.581 16.714 26.732 1.00 0.00 H +HETATM 1068 H8 HMW A 89 3.524 17.996 25.367 1.00 0.00 H +HETATM 1069 C1 HMW A 90 11.419 1.537 4.182 1.00 0.00 C +HETATM 1070 C2 HMW A 90 10.212 1.934 3.263 1.00 0.00 C +HETATM 1071 C3 HMW A 90 10.344 3.432 2.910 1.00 0.00 C +HETATM 1072 O1 HMW A 90 9.111 3.727 2.226 1.00 0.00 O +HETATM 1073 H1 HMW A 90 11.360 0.456 4.313 1.00 0.00 H +HETATM 1074 H2 HMW A 90 12.379 1.781 3.728 1.00 0.00 H +HETATM 1075 H3 HMW A 90 11.357 2.066 5.133 1.00 0.00 H +HETATM 1076 H4 HMW A 90 10.233 1.357 2.339 1.00 0.00 H +HETATM 1077 H5 HMW A 90 9.230 1.776 3.709 1.00 0.00 H +HETATM 1078 H6 HMW A 90 11.143 3.620 2.192 1.00 0.00 H +HETATM 1079 H7 HMW A 90 10.562 4.040 3.789 1.00 0.00 H +HETATM 1080 H8 HMW A 90 8.375 3.853 2.862 1.00 0.00 H +HETATM 1081 C1 HMW A 91 17.512 1.008 20.490 1.00 0.00 C +HETATM 1082 C2 HMW A 91 18.593 -0.169 20.442 1.00 0.00 C +HETATM 1083 C3 HMW A 91 18.607 -0.915 19.062 1.00 0.00 C +HETATM 1084 O1 HMW A 91 18.686 0.073 18.028 1.00 0.00 O +HETATM 1085 H1 HMW A 91 16.482 0.696 20.314 1.00 0.00 H +HETATM 1086 H2 HMW A 91 17.556 1.494 21.465 1.00 0.00 H +HETATM 1087 H3 HMW A 91 17.754 1.724 19.704 1.00 0.00 H +HETATM 1088 H4 HMW A 91 19.549 0.354 20.475 1.00 0.00 H +HETATM 1089 H5 HMW A 91 18.359 -0.806 21.295 1.00 0.00 H +HETATM 1090 H6 HMW A 91 17.798 -1.640 18.968 1.00 0.00 H +HETATM 1091 H7 HMW A 91 19.514 -1.519 19.044 1.00 0.00 H +HETATM 1092 H8 HMW A 91 17.846 0.499 17.752 1.00 0.00 H +HETATM 1093 C1 HMW A 92 28.643 -0.466 8.836 1.00 0.00 C +HETATM 1094 C2 HMW A 92 29.354 -1.273 7.700 1.00 0.00 C +HETATM 1095 C3 HMW A 92 29.787 -0.362 6.491 1.00 0.00 C +HETATM 1096 O1 HMW A 92 30.728 0.536 7.055 1.00 0.00 O +HETATM 1097 H1 HMW A 92 27.680 -0.090 8.489 1.00 0.00 H +HETATM 1098 H2 HMW A 92 28.417 -1.093 9.699 1.00 0.00 H +HETATM 1099 H3 HMW A 92 29.272 0.367 9.150 1.00 0.00 H +HETATM 1100 H4 HMW A 92 30.176 -1.921 8.006 1.00 0.00 H +HETATM 1101 H5 HMW A 92 28.674 -2.006 7.265 1.00 0.00 H +HETATM 1102 H6 HMW A 92 28.918 0.168 6.100 1.00 0.00 H +HETATM 1103 H7 HMW A 92 30.382 -0.937 5.780 1.00 0.00 H +HETATM 1104 H8 HMW A 92 31.495 0.031 7.400 1.00 0.00 H +HETATM 1105 C1 HMW A 93 12.345 12.486 25.905 1.00 0.00 C +HETATM 1106 C2 HMW A 93 13.104 13.380 24.870 1.00 0.00 C +HETATM 1107 C3 HMW A 93 14.567 13.642 25.214 1.00 0.00 C +HETATM 1108 O1 HMW A 93 15.199 14.470 24.231 1.00 0.00 O +HETATM 1109 H1 HMW A 93 12.693 11.465 26.066 1.00 0.00 H +HETATM 1110 H2 HMW A 93 12.153 13.076 26.801 1.00 0.00 H +HETATM 1111 H3 HMW A 93 11.380 12.258 25.452 1.00 0.00 H +HETATM 1112 H4 HMW A 93 13.048 12.913 23.887 1.00 0.00 H +HETATM 1113 H5 HMW A 93 12.609 14.351 24.853 1.00 0.00 H +HETATM 1114 H6 HMW A 93 15.129 12.713 25.110 1.00 0.00 H +HETATM 1115 H7 HMW A 93 14.696 14.080 26.204 1.00 0.00 H +HETATM 1116 H8 HMW A 93 15.881 15.041 24.644 1.00 0.00 H +HETATM 1117 C1 HMW A 94 3.788 12.062 1.708 1.00 0.00 C +HETATM 1118 C2 HMW A 94 3.069 11.889 0.459 1.00 0.00 C +HETATM 1119 C3 HMW A 94 2.123 10.702 0.428 1.00 0.00 C +HETATM 1120 O1 HMW A 94 1.145 10.759 1.426 1.00 0.00 O +HETATM 1121 H1 HMW A 94 4.702 12.645 1.589 1.00 0.00 H +HETATM 1122 H2 HMW A 94 3.106 12.509 2.431 1.00 0.00 H +HETATM 1123 H3 HMW A 94 4.127 11.120 2.140 1.00 0.00 H +HETATM 1124 H4 HMW A 94 2.454 12.760 0.232 1.00 0.00 H +HETATM 1125 H5 HMW A 94 3.799 11.714 -0.331 1.00 0.00 H +HETATM 1126 H6 HMW A 94 2.615 9.732 0.500 1.00 0.00 H +HETATM 1127 H7 HMW A 94 1.630 10.768 -0.542 1.00 0.00 H +HETATM 1128 H8 HMW A 94 0.489 11.460 1.224 1.00 0.00 H +HETATM 1129 C1 HMW A 95 20.615 27.441 12.392 1.00 0.00 C +HETATM 1130 C2 HMW A 95 21.129 26.304 13.306 1.00 0.00 C +HETATM 1131 C3 HMW A 95 20.903 24.885 12.748 1.00 0.00 C +HETATM 1132 O1 HMW A 95 19.613 24.611 12.509 1.00 0.00 O +HETATM 1133 H1 HMW A 95 20.754 28.410 12.872 1.00 0.00 H +HETATM 1134 H2 HMW A 95 21.167 27.496 11.454 1.00 0.00 H +HETATM 1135 H3 HMW A 95 19.550 27.372 12.167 1.00 0.00 H +HETATM 1136 H4 HMW A 95 22.210 26.405 13.411 1.00 0.00 H +HETATM 1137 H5 HMW A 95 20.641 26.399 14.277 1.00 0.00 H +HETATM 1138 H6 HMW A 95 21.244 24.138 13.464 1.00 0.00 H +HETATM 1139 H7 HMW A 95 21.502 24.690 11.859 1.00 0.00 H +HETATM 1140 H8 HMW A 95 19.126 24.832 13.331 1.00 0.00 H +HETATM 1141 C1 HMW A 96 11.464 12.374 33.007 1.00 0.00 C +HETATM 1142 C2 HMW A 96 11.745 12.416 31.425 1.00 0.00 C +HETATM 1143 C3 HMW A 96 10.450 12.841 30.707 1.00 0.00 C +HETATM 1144 O1 HMW A 96 9.325 11.851 30.818 1.00 0.00 O +HETATM 1145 H1 HMW A 96 10.953 11.466 33.329 1.00 0.00 H +HETATM 1146 H2 HMW A 96 12.417 12.347 33.536 1.00 0.00 H +HETATM 1147 H3 HMW A 96 10.889 13.249 33.311 1.00 0.00 H +HETATM 1148 H4 HMW A 96 12.577 13.094 31.234 1.00 0.00 H +HETATM 1149 H5 HMW A 96 12.126 11.447 31.105 1.00 0.00 H +HETATM 1150 H6 HMW A 96 10.803 13.057 29.698 1.00 0.00 H +HETATM 1151 H7 HMW A 96 10.121 13.806 31.095 1.00 0.00 H +HETATM 1152 H8 HMW A 96 9.604 11.039 30.342 1.00 0.00 H +HETATM 1153 C1 HMW A 97 4.726 5.358 4.037 1.00 0.00 C +HETATM 1154 C2 HMW A 97 5.975 5.588 3.213 1.00 0.00 C +HETATM 1155 C3 HMW A 97 7.252 5.522 4.005 1.00 0.00 C +HETATM 1156 O1 HMW A 97 7.581 4.163 4.331 1.00 0.00 O +HETATM 1157 H1 HMW A 97 4.325 6.228 4.557 1.00 0.00 H +HETATM 1158 H2 HMW A 97 3.959 4.921 3.398 1.00 0.00 H +HETATM 1159 H3 HMW A 97 4.878 4.565 4.771 1.00 0.00 H +HETATM 1160 H4 HMW A 97 5.953 4.927 2.347 1.00 0.00 H +HETATM 1161 H5 HMW A 97 5.917 6.580 2.764 1.00 0.00 H +HETATM 1162 H6 HMW A 97 7.137 6.186 4.862 1.00 0.00 H +HETATM 1163 H7 HMW A 97 8.088 5.862 3.395 1.00 0.00 H +HETATM 1164 H8 HMW A 97 7.483 3.967 5.287 1.00 0.00 H +HETATM 1165 C1 HMW A 98 20.820 19.291 13.206 1.00 0.00 C +HETATM 1166 C2 HMW A 98 20.737 19.790 14.672 1.00 0.00 C +HETATM 1167 C3 HMW A 98 19.666 20.870 14.736 1.00 0.00 C +HETATM 1168 O1 HMW A 98 20.186 22.103 14.459 1.00 0.00 O +HETATM 1169 H1 HMW A 98 21.313 20.056 12.605 1.00 0.00 H +HETATM 1170 H2 HMW A 98 21.457 18.409 13.276 1.00 0.00 H +HETATM 1171 H3 HMW A 98 19.829 19.043 12.825 1.00 0.00 H +HETATM 1172 H4 HMW A 98 20.473 18.987 15.359 1.00 0.00 H +HETATM 1173 H5 HMW A 98 21.678 20.231 15.003 1.00 0.00 H +HETATM 1174 H6 HMW A 98 19.475 20.938 15.808 1.00 0.00 H +HETATM 1175 H7 HMW A 98 18.727 20.748 14.196 1.00 0.00 H +HETATM 1176 H8 HMW A 98 19.512 22.816 14.432 1.00 0.00 H +HETATM 1177 C1 HMW A 99 18.590 10.428 21.843 1.00 0.00 C +HETATM 1178 C2 HMW A 99 17.872 9.122 22.226 1.00 0.00 C +HETATM 1179 C3 HMW A 99 17.905 8.807 23.753 1.00 0.00 C +HETATM 1180 O1 HMW A 99 16.794 7.977 24.111 1.00 0.00 O +HETATM 1181 H1 HMW A 99 18.678 10.466 20.758 1.00 0.00 H +HETATM 1182 H2 HMW A 99 17.953 11.279 22.084 1.00 0.00 H +HETATM 1183 H3 HMW A 99 19.600 10.413 22.254 1.00 0.00 H +HETATM 1184 H4 HMW A 99 16.841 9.229 21.889 1.00 0.00 H +HETATM 1185 H5 HMW A 99 18.279 8.277 21.670 1.00 0.00 H +HETATM 1186 H6 HMW A 99 17.895 9.761 24.281 1.00 0.00 H +HETATM 1187 H7 HMW A 99 18.862 8.326 23.958 1.00 0.00 H +HETATM 1188 H8 HMW A 99 15.939 8.458 24.143 1.00 0.00 H +HETATM 1189 C1 HMW A 100 8.958 22.401 11.566 1.00 0.00 C +HETATM 1190 C2 HMW A 100 10.469 22.354 11.288 1.00 0.00 C +HETATM 1191 C3 HMW A 100 11.041 21.290 12.304 1.00 0.00 C +HETATM 1192 O1 HMW A 100 11.870 21.835 13.335 1.00 0.00 O +HETATM 1193 H1 HMW A 100 8.554 21.404 11.390 1.00 0.00 H +HETATM 1194 H2 HMW A 100 8.815 22.683 12.609 1.00 0.00 H +HETATM 1195 H3 HMW A 100 8.492 23.165 10.942 1.00 0.00 H +HETATM 1196 H4 HMW A 100 10.782 22.111 10.272 1.00 0.00 H +HETATM 1197 H5 HMW A 100 10.782 23.361 11.567 1.00 0.00 H +HETATM 1198 H6 HMW A 100 11.530 20.466 11.784 1.00 0.00 H +HETATM 1199 H7 HMW A 100 10.189 20.862 12.831 1.00 0.00 H +HETATM 1200 H8 HMW A 100 11.299 22.343 13.950 1.00 0.00 H +HETATM 1201 C1 HMW A 101 23.153 -5.657 23.370 1.00 0.00 C +HETATM 1202 C2 HMW A 101 24.455 -5.609 24.183 1.00 0.00 C +HETATM 1203 C3 HMW A 101 25.147 -6.846 24.149 1.00 0.00 C +HETATM 1204 O1 HMW A 101 24.462 -7.806 24.985 1.00 0.00 O +HETATM 1205 H1 HMW A 101 22.530 -6.424 23.830 1.00 0.00 H +HETATM 1206 H2 HMW A 101 22.742 -4.658 23.520 1.00 0.00 H +HETATM 1207 H3 HMW A 101 23.396 -5.993 22.362 1.00 0.00 H +HETATM 1208 H4 HMW A 101 25.144 -4.829 23.859 1.00 0.00 H +HETATM 1209 H5 HMW A 101 24.229 -5.245 25.186 1.00 0.00 H +HETATM 1210 H6 HMW A 101 26.131 -6.673 24.586 1.00 0.00 H +HETATM 1211 H7 HMW A 101 25.365 -7.242 23.157 1.00 0.00 H +HETATM 1212 H8 HMW A 101 24.620 -8.735 24.711 1.00 0.00 H +HETATM 1213 C1 HMW A 102 6.951 -9.393 36.876 1.00 0.00 C +HETATM 1214 C2 HMW A 102 6.900 -8.326 35.819 1.00 0.00 C +HETATM 1215 C3 HMW A 102 6.519 -8.833 34.400 1.00 0.00 C +HETATM 1216 O1 HMW A 102 7.375 -9.887 33.924 1.00 0.00 O +HETATM 1217 H1 HMW A 102 7.748 -10.082 36.593 1.00 0.00 H +HETATM 1218 H2 HMW A 102 7.336 -8.935 37.787 1.00 0.00 H +HETATM 1219 H3 HMW A 102 6.034 -9.977 36.965 1.00 0.00 H +HETATM 1220 H4 HMW A 102 6.153 -7.569 36.055 1.00 0.00 H +HETATM 1221 H5 HMW A 102 7.832 -7.763 35.768 1.00 0.00 H +HETATM 1222 H6 HMW A 102 6.524 -8.058 33.634 1.00 0.00 H +HETATM 1223 H7 HMW A 102 5.533 -9.298 34.404 1.00 0.00 H +HETATM 1224 H8 HMW A 102 8.293 -9.553 33.830 1.00 0.00 H +HETATM 1225 C1 HMW A 103 10.201 -0.245 23.741 1.00 0.00 C +HETATM 1226 C2 HMW A 103 11.015 0.252 22.521 1.00 0.00 C +HETATM 1227 C3 HMW A 103 11.681 1.620 22.807 1.00 0.00 C +HETATM 1228 O1 HMW A 103 12.743 1.474 23.803 1.00 0.00 O +HETATM 1229 H1 HMW A 103 10.825 -0.293 24.634 1.00 0.00 H +HETATM 1230 H2 HMW A 103 9.282 0.323 23.886 1.00 0.00 H +HETATM 1231 H3 HMW A 103 9.882 -1.239 23.426 1.00 0.00 H +HETATM 1232 H4 HMW A 103 11.778 -0.452 22.190 1.00 0.00 H +HETATM 1233 H5 HMW A 103 10.299 0.248 21.699 1.00 0.00 H +HETATM 1234 H6 HMW A 103 10.898 2.294 23.155 1.00 0.00 H +HETATM 1235 H7 HMW A 103 12.109 2.076 21.914 1.00 0.00 H +HETATM 1236 H8 HMW A 103 13.436 0.893 23.421 1.00 0.00 H +HETATM 1237 C1 HMW A 104 16.694 -5.835 26.696 1.00 0.00 C +HETATM 1238 C2 HMW A 104 16.546 -4.364 26.573 1.00 0.00 C +HETATM 1239 C3 HMW A 104 15.069 -3.986 26.952 1.00 0.00 C +HETATM 1240 O1 HMW A 104 14.909 -4.260 28.387 1.00 0.00 O +HETATM 1241 H1 HMW A 104 17.715 -6.167 26.504 1.00 0.00 H +HETATM 1242 H2 HMW A 104 16.410 -6.307 27.637 1.00 0.00 H +HETATM 1243 H3 HMW A 104 16.060 -6.303 25.943 1.00 0.00 H +HETATM 1244 H4 HMW A 104 17.294 -3.911 27.224 1.00 0.00 H +HETATM 1245 H5 HMW A 104 16.613 -4.003 25.546 1.00 0.00 H +HETATM 1246 H6 HMW A 104 14.422 -4.654 26.382 1.00 0.00 H +HETATM 1247 H7 HMW A 104 14.847 -2.955 26.674 1.00 0.00 H +HETATM 1248 H8 HMW A 104 13.978 -4.294 28.697 1.00 0.00 H +HETATM 1249 C1 HMW A 105 4.900 12.990 22.818 1.00 0.00 C +HETATM 1250 C2 HMW A 105 3.918 12.300 23.719 1.00 0.00 C +HETATM 1251 C3 HMW A 105 3.208 11.095 23.183 1.00 0.00 C +HETATM 1252 O1 HMW A 105 1.990 11.345 22.538 1.00 0.00 O +HETATM 1253 H1 HMW A 105 5.812 12.398 22.736 1.00 0.00 H +HETATM 1254 H2 HMW A 105 4.459 13.275 21.863 1.00 0.00 H +HETATM 1255 H3 HMW A 105 5.248 13.859 23.377 1.00 0.00 H +HETATM 1256 H4 HMW A 105 4.409 11.997 24.644 1.00 0.00 H +HETATM 1257 H5 HMW A 105 3.161 13.006 24.063 1.00 0.00 H +HETATM 1258 H6 HMW A 105 2.994 10.390 23.988 1.00 0.00 H +HETATM 1259 H7 HMW A 105 3.876 10.699 22.419 1.00 0.00 H +HETATM 1260 H8 HMW A 105 1.516 10.507 22.351 1.00 0.00 H +HETATM 1261 C1 HMW A 106 7.397 15.252 30.911 1.00 0.00 C +HETATM 1262 C2 HMW A 106 5.915 15.049 30.267 1.00 0.00 C +HETATM 1263 C3 HMW A 106 4.752 15.104 31.297 1.00 0.00 C +HETATM 1264 O1 HMW A 106 4.754 16.484 31.750 1.00 0.00 O +HETATM 1265 H1 HMW A 106 7.669 14.434 31.578 1.00 0.00 H +HETATM 1266 H2 HMW A 106 8.196 15.262 30.169 1.00 0.00 H +HETATM 1267 H3 HMW A 106 7.359 16.178 31.486 1.00 0.00 H +HETATM 1268 H4 HMW A 106 5.788 15.776 29.465 1.00 0.00 H +HETATM 1269 H5 HMW A 106 5.867 14.078 29.774 1.00 0.00 H +HETATM 1270 H6 HMW A 106 5.051 14.517 32.166 1.00 0.00 H +HETATM 1271 H7 HMW A 106 3.809 14.778 30.857 1.00 0.00 H +HETATM 1272 H8 HMW A 106 5.562 16.677 32.271 1.00 0.00 H +HETATM 1273 C1 HMW A 107 -8.206 36.191 3.360 1.00 0.00 C +HETATM 1274 C2 HMW A 107 -7.722 35.176 4.432 1.00 0.00 C +HETATM 1275 C3 HMW A 107 -6.569 35.653 5.186 1.00 0.00 C +HETATM 1276 O1 HMW A 107 -6.375 34.715 6.179 1.00 0.00 O +HETATM 1277 H1 HMW A 107 -8.908 36.902 3.797 1.00 0.00 H +HETATM 1278 H2 HMW A 107 -7.371 36.743 2.930 1.00 0.00 H +HETATM 1279 H3 HMW A 107 -8.753 35.683 2.565 1.00 0.00 H +HETATM 1280 H4 HMW A 107 -8.511 35.037 5.171 1.00 0.00 H +HETATM 1281 H5 HMW A 107 -7.521 34.221 3.947 1.00 0.00 H +HETATM 1282 H6 HMW A 107 -6.744 36.596 5.704 1.00 0.00 H +HETATM 1283 H7 HMW A 107 -5.650 35.685 4.602 1.00 0.00 H +HETATM 1284 H8 HMW A 107 -5.690 34.911 6.855 1.00 0.00 H +HETATM 1285 C1 HMW A 108 17.649 8.180 18.700 1.00 0.00 C +HETATM 1286 C2 HMW A 108 18.336 6.944 18.108 1.00 0.00 C +HETATM 1287 C3 HMW A 108 18.998 7.296 16.781 1.00 0.00 C +HETATM 1288 O1 HMW A 108 18.010 7.283 15.786 1.00 0.00 O +HETATM 1289 H1 HMW A 108 18.457 8.823 19.049 1.00 0.00 H +HETATM 1290 H2 HMW A 108 17.178 8.722 17.879 1.00 0.00 H +HETATM 1291 H3 HMW A 108 16.897 7.896 19.435 1.00 0.00 H +HETATM 1292 H4 HMW A 108 19.104 6.517 18.753 1.00 0.00 H +HETATM 1293 H5 HMW A 108 17.639 6.126 17.923 1.00 0.00 H +HETATM 1294 H6 HMW A 108 19.756 6.546 16.553 1.00 0.00 H +HETATM 1295 H7 HMW A 108 19.405 8.307 16.775 1.00 0.00 H +HETATM 1296 H8 HMW A 108 18.387 7.641 14.954 1.00 0.00 H +HETATM 1297 C1 HMW A 109 11.368 23.028 31.990 1.00 0.00 C +HETATM 1298 C2 HMW A 109 11.220 22.474 33.381 1.00 0.00 C +HETATM 1299 C3 HMW A 109 12.178 23.207 34.383 1.00 0.00 C +HETATM 1300 O1 HMW A 109 13.505 23.232 34.087 1.00 0.00 O +HETATM 1301 H1 HMW A 109 11.229 24.108 31.928 1.00 0.00 H +HETATM 1302 H2 HMW A 109 12.372 22.761 31.660 1.00 0.00 H +HETATM 1303 H3 HMW A 109 10.777 22.515 31.232 1.00 0.00 H +HETATM 1304 H4 HMW A 109 10.190 22.526 33.734 1.00 0.00 H +HETATM 1305 H5 HMW A 109 11.449 21.408 33.386 1.00 0.00 H +HETATM 1306 H6 HMW A 109 11.971 22.685 35.317 1.00 0.00 H +HETATM 1307 H7 HMW A 109 11.852 24.230 34.567 1.00 0.00 H +HETATM 1308 H8 HMW A 109 13.667 23.806 33.307 1.00 0.00 H +HETATM 1309 C1 HMW A 110 27.977 4.115 6.738 1.00 0.00 C +HETATM 1310 C2 HMW A 110 26.795 4.431 5.808 1.00 0.00 C +HETATM 1311 C3 HMW A 110 26.607 5.978 5.716 1.00 0.00 C +HETATM 1312 O1 HMW A 110 26.253 6.520 7.042 1.00 0.00 O +HETATM 1313 H1 HMW A 110 28.118 3.043 6.878 1.00 0.00 H +HETATM 1314 H2 HMW A 110 28.876 4.583 6.337 1.00 0.00 H +HETATM 1315 H3 HMW A 110 27.751 4.541 7.715 1.00 0.00 H +HETATM 1316 H4 HMW A 110 26.828 4.077 4.777 1.00 0.00 H +HETATM 1317 H5 HMW A 110 25.883 4.046 6.265 1.00 0.00 H +HETATM 1318 H6 HMW A 110 25.771 6.208 5.055 1.00 0.00 H +HETATM 1319 H7 HMW A 110 27.563 6.446 5.481 1.00 0.00 H +HETATM 1320 H8 HMW A 110 26.059 7.481 7.022 1.00 0.00 H +HETATM 1321 C1 HMW A 111 10.078 10.854 21.919 1.00 0.00 C +HETATM 1322 C2 HMW A 111 9.703 10.062 23.202 1.00 0.00 C +HETATM 1323 C3 HMW A 111 10.458 8.732 23.381 1.00 0.00 C +HETATM 1324 O1 HMW A 111 10.099 8.028 24.509 1.00 0.00 O +HETATM 1325 H1 HMW A 111 9.269 11.559 21.724 1.00 0.00 H +HETATM 1326 H2 HMW A 111 11.049 11.342 22.005 1.00 0.00 H +HETATM 1327 H3 HMW A 111 10.153 10.062 21.174 1.00 0.00 H +HETATM 1328 H4 HMW A 111 9.817 10.537 24.177 1.00 0.00 H +HETATM 1329 H5 HMW A 111 8.634 9.858 23.136 1.00 0.00 H +HETATM 1330 H6 HMW A 111 11.508 9.019 23.444 1.00 0.00 H +HETATM 1331 H7 HMW A 111 10.324 8.040 22.549 1.00 0.00 H +HETATM 1332 H8 HMW A 111 10.592 7.183 24.579 1.00 0.00 H +HETATM 1333 C1 HMW A 112 14.154 8.205 6.868 1.00 0.00 C +HETATM 1334 C2 HMW A 112 15.534 8.748 7.034 1.00 0.00 C +HETATM 1335 C3 HMW A 112 15.482 10.188 6.516 1.00 0.00 C +HETATM 1336 O1 HMW A 112 15.775 10.306 5.145 1.00 0.00 O +HETATM 1337 H1 HMW A 112 13.843 8.321 5.829 1.00 0.00 H +HETATM 1338 H2 HMW A 112 14.289 7.133 7.010 1.00 0.00 H +HETATM 1339 H3 HMW A 112 13.427 8.565 7.595 1.00 0.00 H +HETATM 1340 H4 HMW A 112 15.952 8.574 8.026 1.00 0.00 H +HETATM 1341 H5 HMW A 112 16.210 8.231 6.353 1.00 0.00 H +HETATM 1342 H6 HMW A 112 16.196 10.813 7.053 1.00 0.00 H +HETATM 1343 H7 HMW A 112 14.511 10.671 6.625 1.00 0.00 H +HETATM 1344 H8 HMW A 112 15.679 9.424 4.725 1.00 0.00 H +HETATM 1345 C1 HMW A 113 16.195 12.636 28.748 1.00 0.00 C +HETATM 1346 C2 HMW A 113 17.062 11.423 28.833 1.00 0.00 C +HETATM 1347 C3 HMW A 113 17.304 10.876 27.457 1.00 0.00 C +HETATM 1348 O1 HMW A 113 15.963 10.685 26.777 1.00 0.00 O +HETATM 1349 H1 HMW A 113 16.581 13.268 27.948 1.00 0.00 H +HETATM 1350 H2 HMW A 113 15.126 12.482 28.602 1.00 0.00 H +HETATM 1351 H3 HMW A 113 16.262 13.210 29.672 1.00 0.00 H +HETATM 1352 H4 HMW A 113 18.021 11.767 29.219 1.00 0.00 H +HETATM 1353 H5 HMW A 113 16.568 10.705 29.488 1.00 0.00 H +HETATM 1354 H6 HMW A 113 17.801 9.907 27.419 1.00 0.00 H +HETATM 1355 H7 HMW A 113 17.935 11.546 26.873 1.00 0.00 H +HETATM 1356 H8 HMW A 113 15.252 10.491 27.425 1.00 0.00 H +HETATM 1357 C1 HMW A 114 21.636 -0.137 23.372 1.00 0.00 C +HETATM 1358 C2 HMW A 114 20.202 0.010 23.890 1.00 0.00 C +HETATM 1359 C3 HMW A 114 19.691 1.512 24.048 1.00 0.00 C +HETATM 1360 O1 HMW A 114 18.477 1.432 24.794 1.00 0.00 O +HETATM 1361 H1 HMW A 114 22.392 0.208 24.078 1.00 0.00 H +HETATM 1362 H2 HMW A 114 21.969 -1.136 23.089 1.00 0.00 H +HETATM 1363 H3 HMW A 114 21.620 0.535 22.514 1.00 0.00 H +HETATM 1364 H4 HMW A 114 19.486 -0.484 23.233 1.00 0.00 H +HETATM 1365 H5 HMW A 114 20.161 -0.472 24.867 1.00 0.00 H +HETATM 1366 H6 HMW A 114 19.497 1.835 23.026 1.00 0.00 H +HETATM 1367 H7 HMW A 114 20.424 2.144 24.549 1.00 0.00 H +HETATM 1368 H8 HMW A 114 18.132 2.279 25.151 1.00 0.00 H +HETATM 1369 C1 HMW A 115 -5.415 30.366 15.814 1.00 0.00 C +HETATM 1370 C2 HMW A 115 -5.787 28.958 16.351 1.00 0.00 C +HETATM 1371 C3 HMW A 115 -5.268 28.637 17.720 1.00 0.00 C +HETATM 1372 O1 HMW A 115 -5.704 27.331 18.164 1.00 0.00 O +HETATM 1373 H1 HMW A 115 -5.840 31.161 16.427 1.00 0.00 H +HETATM 1374 H2 HMW A 115 -4.331 30.400 15.707 1.00 0.00 H +HETATM 1375 H3 HMW A 115 -5.802 30.569 14.815 1.00 0.00 H +HETATM 1376 H4 HMW A 115 -6.870 28.842 16.362 1.00 0.00 H +HETATM 1377 H5 HMW A 115 -5.444 28.235 15.611 1.00 0.00 H +HETATM 1378 H6 HMW A 115 -5.627 29.368 18.445 1.00 0.00 H +HETATM 1379 H7 HMW A 115 -4.181 28.643 17.799 1.00 0.00 H +HETATM 1380 H8 HMW A 115 -6.664 27.187 18.019 1.00 0.00 H +HETATM 1381 C1 HMW A 116 34.199 22.959 35.290 1.00 0.00 C +HETATM 1382 C2 HMW A 116 33.345 22.333 34.253 1.00 0.00 C +HETATM 1383 C3 HMW A 116 31.996 22.995 34.060 1.00 0.00 C +HETATM 1384 O1 HMW A 116 31.285 22.349 32.985 1.00 0.00 O +HETATM 1385 H1 HMW A 116 35.216 22.629 35.077 1.00 0.00 H +HETATM 1386 H2 HMW A 116 34.185 24.048 35.327 1.00 0.00 H +HETATM 1387 H3 HMW A 116 33.947 22.577 36.279 1.00 0.00 H +HETATM 1388 H4 HMW A 116 33.884 22.385 33.307 1.00 0.00 H +HETATM 1389 H5 HMW A 116 33.236 21.273 34.485 1.00 0.00 H +HETATM 1390 H6 HMW A 116 32.132 24.054 33.842 1.00 0.00 H +HETATM 1391 H7 HMW A 116 31.391 22.902 34.961 1.00 0.00 H +HETATM 1392 H8 HMW A 116 31.332 21.383 33.146 1.00 0.00 H +HETATM 1393 C1 HMW A 117 7.093 3.869 25.333 1.00 0.00 C +HETATM 1394 C2 HMW A 117 8.100 2.744 25.694 1.00 0.00 C +HETATM 1395 C3 HMW A 117 9.537 3.299 25.754 1.00 0.00 C +HETATM 1396 O1 HMW A 117 9.742 4.360 26.702 1.00 0.00 O +HETATM 1397 H1 HMW A 117 7.335 4.196 24.321 1.00 0.00 H +HETATM 1398 H2 HMW A 117 6.091 3.460 25.467 1.00 0.00 H +HETATM 1399 H3 HMW A 117 7.164 4.729 25.999 1.00 0.00 H +HETATM 1400 H4 HMW A 117 7.815 2.286 26.641 1.00 0.00 H +HETATM 1401 H5 HMW A 117 7.979 1.950 24.957 1.00 0.00 H +HETATM 1402 H6 HMW A 117 9.816 3.702 24.780 1.00 0.00 H +HETATM 1403 H7 HMW A 117 10.120 2.395 25.933 1.00 0.00 H +HETATM 1404 H8 HMW A 117 9.558 4.075 27.622 1.00 0.00 H +HETATM 1405 C1 HMW A 118 28.212 5.971 2.455 1.00 0.00 C +HETATM 1406 C2 HMW A 118 28.846 7.392 2.356 1.00 0.00 C +HETATM 1407 C3 HMW A 118 28.804 8.145 3.774 1.00 0.00 C +HETATM 1408 O1 HMW A 118 29.245 9.474 3.527 1.00 0.00 O +HETATM 1409 H1 HMW A 118 28.017 5.625 1.439 1.00 0.00 H +HETATM 1410 H2 HMW A 118 28.868 5.214 2.885 1.00 0.00 H +HETATM 1411 H3 HMW A 118 27.253 5.984 2.973 1.00 0.00 H +HETATM 1412 H4 HMW A 118 29.834 7.345 1.900 1.00 0.00 H +HETATM 1413 H5 HMW A 118 28.175 7.969 1.720 1.00 0.00 H +HETATM 1414 H6 HMW A 118 29.488 7.588 4.414 1.00 0.00 H +HETATM 1415 H7 HMW A 118 27.801 8.253 4.188 1.00 0.00 H +HETATM 1416 H8 HMW A 118 28.984 9.847 2.657 1.00 0.00 H +HETATM 1417 C1 HMW A 119 29.190 -4.779 13.415 1.00 0.00 C +HETATM 1418 C2 HMW A 119 29.425 -3.503 12.559 1.00 0.00 C +HETATM 1419 C3 HMW A 119 28.432 -2.435 12.871 1.00 0.00 C +HETATM 1420 O1 HMW A 119 28.261 -2.357 14.289 1.00 0.00 O +HETATM 1421 H1 HMW A 119 29.383 -4.696 14.484 1.00 0.00 H +HETATM 1422 H2 HMW A 119 28.148 -5.099 13.373 1.00 0.00 H +HETATM 1423 H3 HMW A 119 29.675 -5.637 12.949 1.00 0.00 H +HETATM 1424 H4 HMW A 119 30.454 -3.189 12.384 1.00 0.00 H +HETATM 1425 H5 HMW A 119 29.171 -3.859 11.560 1.00 0.00 H +HETATM 1426 H6 HMW A 119 27.516 -2.721 12.354 1.00 0.00 H +HETATM 1427 H7 HMW A 119 28.850 -1.477 12.563 1.00 0.00 H +HETATM 1428 H8 HMW A 119 29.033 -1.971 14.755 1.00 0.00 H +HETATM 1429 C1 HMW A 120 20.423 17.061 37.506 1.00 0.00 C +HETATM 1430 C2 HMW A 120 21.251 16.345 36.370 1.00 0.00 C +HETATM 1431 C3 HMW A 120 22.728 16.037 36.701 1.00 0.00 C +HETATM 1432 O1 HMW A 120 23.281 14.999 35.870 1.00 0.00 O +HETATM 1433 H1 HMW A 120 20.872 16.898 38.486 1.00 0.00 H +HETATM 1434 H2 HMW A 120 20.629 18.113 37.308 1.00 0.00 H +HETATM 1435 H3 HMW A 120 19.349 16.875 37.515 1.00 0.00 H +HETATM 1436 H4 HMW A 120 20.771 15.392 36.144 1.00 0.00 H +HETATM 1437 H5 HMW A 120 21.057 16.828 35.413 1.00 0.00 H +HETATM 1438 H6 HMW A 120 22.934 15.914 37.764 1.00 0.00 H +HETATM 1439 H7 HMW A 120 23.289 16.964 36.578 1.00 0.00 H +HETATM 1440 H8 HMW A 120 23.388 15.191 34.914 1.00 0.00 H +HETATM 1441 C1 HMW A 121 22.388 -8.372 6.188 1.00 0.00 C +HETATM 1442 C2 HMW A 121 20.895 -7.945 6.117 1.00 0.00 C +HETATM 1443 C3 HMW A 121 20.041 -9.106 5.565 1.00 0.00 C +HETATM 1444 O1 HMW A 121 20.480 -9.412 4.194 1.00 0.00 O +HETATM 1445 H1 HMW A 121 22.823 -8.721 5.251 1.00 0.00 H +HETATM 1446 H2 HMW A 121 22.860 -7.443 6.510 1.00 0.00 H +HETATM 1447 H3 HMW A 121 22.482 -9.166 6.928 1.00 0.00 H +HETATM 1448 H4 HMW A 121 20.564 -7.616 7.102 1.00 0.00 H +HETATM 1449 H5 HMW A 121 20.891 -7.184 5.337 1.00 0.00 H +HETATM 1450 H6 HMW A 121 18.975 -8.886 5.515 1.00 0.00 H +HETATM 1451 H7 HMW A 121 20.118 -9.986 6.206 1.00 0.00 H +HETATM 1452 H8 HMW A 121 19.733 -9.317 3.566 1.00 0.00 H +HETATM 1453 C1 HMW A 122 14.032 4.915 29.810 1.00 0.00 C +HETATM 1454 C2 HMW A 122 14.671 5.939 28.796 1.00 0.00 C +HETATM 1455 C3 HMW A 122 15.231 5.129 27.614 1.00 0.00 C +HETATM 1456 O1 HMW A 122 15.934 3.979 28.067 1.00 0.00 O +HETATM 1457 H1 HMW A 122 14.798 4.353 30.344 1.00 0.00 H +HETATM 1458 H2 HMW A 122 13.578 5.444 30.648 1.00 0.00 H +HETATM 1459 H3 HMW A 122 13.293 4.264 29.341 1.00 0.00 H +HETATM 1460 H4 HMW A 122 14.044 6.705 28.338 1.00 0.00 H +HETATM 1461 H5 HMW A 122 15.511 6.386 29.328 1.00 0.00 H +HETATM 1462 H6 HMW A 122 16.048 5.696 27.169 1.00 0.00 H +HETATM 1463 H7 HMW A 122 14.475 4.946 26.850 1.00 0.00 H +HETATM 1464 H8 HMW A 122 16.505 4.232 28.823 1.00 0.00 H +HETATM 1465 C1 HMW A 123 7.003 13.066 18.938 1.00 0.00 C +HETATM 1466 C2 HMW A 123 7.770 14.385 18.890 1.00 0.00 C +HETATM 1467 C3 HMW A 123 6.920 15.516 19.571 1.00 0.00 C +HETATM 1468 O1 HMW A 123 5.668 15.722 18.873 1.00 0.00 O +HETATM 1469 H1 HMW A 123 6.163 13.065 18.244 1.00 0.00 H +HETATM 1470 H2 HMW A 123 7.569 12.179 18.654 1.00 0.00 H +HETATM 1471 H3 HMW A 123 6.480 12.956 19.889 1.00 0.00 H +HETATM 1472 H4 HMW A 123 8.688 14.231 19.457 1.00 0.00 H +HETATM 1473 H5 HMW A 123 8.010 14.732 17.885 1.00 0.00 H +HETATM 1474 H6 HMW A 123 7.478 16.450 19.647 1.00 0.00 H +HETATM 1475 H7 HMW A 123 6.641 15.273 20.596 1.00 0.00 H +HETATM 1476 H8 HMW A 123 5.188 14.869 18.808 1.00 0.00 H +HETATM 1477 C1 HMW A 124 17.606 2.819 13.975 1.00 0.00 C +HETATM 1478 C2 HMW A 124 16.733 1.794 13.263 1.00 0.00 C +HETATM 1479 C3 HMW A 124 15.436 2.459 12.784 1.00 0.00 C +HETATM 1480 O1 HMW A 124 14.331 1.964 13.642 1.00 0.00 O +HETATM 1481 H1 HMW A 124 17.507 3.821 13.557 1.00 0.00 H +HETATM 1482 H2 HMW A 124 17.316 2.878 15.024 1.00 0.00 H +HETATM 1483 H3 HMW A 124 18.624 2.429 13.969 1.00 0.00 H +HETATM 1484 H4 HMW A 124 17.148 1.560 12.282 1.00 0.00 H +HETATM 1485 H5 HMW A 124 16.584 0.914 13.889 1.00 0.00 H +HETATM 1486 H6 HMW A 124 15.282 2.151 11.750 1.00 0.00 H +HETATM 1487 H7 HMW A 124 15.539 3.543 12.817 1.00 0.00 H +HETATM 1488 H8 HMW A 124 14.449 0.996 13.746 1.00 0.00 H +HETATM 1489 C1 HMW A 125 11.799 14.791 19.904 1.00 0.00 C +HETATM 1490 C2 HMW A 125 11.431 14.838 21.410 1.00 0.00 C +HETATM 1491 C3 HMW A 125 10.611 16.023 21.860 1.00 0.00 C +HETATM 1492 O1 HMW A 125 11.192 17.252 21.361 1.00 0.00 O +HETATM 1493 H1 HMW A 125 12.392 15.676 19.670 1.00 0.00 H +HETATM 1494 H2 HMW A 125 12.317 13.852 19.713 1.00 0.00 H +HETATM 1495 H3 HMW A 125 10.903 14.854 19.287 1.00 0.00 H +HETATM 1496 H4 HMW A 125 11.000 13.955 21.883 1.00 0.00 H +HETATM 1497 H5 HMW A 125 12.419 14.906 21.866 1.00 0.00 H +HETATM 1498 H6 HMW A 125 10.586 16.004 22.949 1.00 0.00 H +HETATM 1499 H7 HMW A 125 9.575 15.901 21.541 1.00 0.00 H +HETATM 1500 H8 HMW A 125 10.512 17.957 21.321 1.00 0.00 H +HETATM 1501 C1 HMW A 126 14.691 -1.906 21.858 1.00 0.00 C +HETATM 1502 C2 HMW A 126 15.736 -2.349 22.897 1.00 0.00 C +HETATM 1503 C3 HMW A 126 16.266 -1.090 23.648 1.00 0.00 C +HETATM 1504 O1 HMW A 126 17.292 -1.360 24.570 1.00 0.00 O +HETATM 1505 H1 HMW A 126 15.024 -1.071 21.241 1.00 0.00 H +HETATM 1506 H2 HMW A 126 14.424 -2.684 21.141 1.00 0.00 H +HETATM 1507 H3 HMW A 126 13.824 -1.486 22.367 1.00 0.00 H +HETATM 1508 H4 HMW A 126 15.377 -3.112 23.589 1.00 0.00 H +HETATM 1509 H5 HMW A 126 16.513 -2.725 22.231 1.00 0.00 H +HETATM 1510 H6 HMW A 126 15.488 -0.492 24.124 1.00 0.00 H +HETATM 1511 H7 HMW A 126 16.704 -0.442 22.889 1.00 0.00 H +HETATM 1512 H8 HMW A 126 17.437 -0.596 25.169 1.00 0.00 H +HETATM 1513 C1 HMW A 127 9.073 10.067 13.841 1.00 0.00 C +HETATM 1514 C2 HMW A 127 7.663 10.339 13.302 1.00 0.00 C +HETATM 1515 C3 HMW A 127 7.144 11.683 13.716 1.00 0.00 C +HETATM 1516 O1 HMW A 127 7.839 12.760 13.154 1.00 0.00 O +HETATM 1517 H1 HMW A 127 9.366 9.033 13.659 1.00 0.00 H +HETATM 1518 H2 HMW A 127 9.737 10.801 13.384 1.00 0.00 H +HETATM 1519 H3 HMW A 127 9.061 10.239 14.917 1.00 0.00 H +HETATM 1520 H4 HMW A 127 7.704 10.177 12.225 1.00 0.00 H +HETATM 1521 H5 HMW A 127 7.069 9.502 13.670 1.00 0.00 H +HETATM 1522 H6 HMW A 127 7.194 11.759 14.803 1.00 0.00 H +HETATM 1523 H7 HMW A 127 6.129 11.844 13.351 1.00 0.00 H +HETATM 1524 H8 HMW A 127 7.772 12.697 12.177 1.00 0.00 H +HETATM 1525 C1 HMW A 128 -7.700 13.361 24.803 1.00 0.00 C +HETATM 1526 C2 HMW A 128 -6.498 12.416 25.237 1.00 0.00 C +HETATM 1527 C3 HMW A 128 -6.089 12.606 26.694 1.00 0.00 C +HETATM 1528 O1 HMW A 128 -5.057 11.635 26.973 1.00 0.00 O +HETATM 1529 H1 HMW A 128 -7.612 14.358 25.236 1.00 0.00 H +HETATM 1530 H2 HMW A 128 -7.764 13.362 23.714 1.00 0.00 H +HETATM 1531 H3 HMW A 128 -8.646 12.967 25.175 1.00 0.00 H +HETATM 1532 H4 HMW A 128 -6.912 11.412 25.143 1.00 0.00 H +HETATM 1533 H5 HMW A 128 -5.613 12.547 24.615 1.00 0.00 H +HETATM 1534 H6 HMW A 128 -6.921 12.551 27.396 1.00 0.00 H +HETATM 1535 H7 HMW A 128 -5.581 13.568 26.770 1.00 0.00 H +HETATM 1536 H8 HMW A 128 -4.665 11.778 27.861 1.00 0.00 H +TER 1537 HMW A 128 +HETATM 1538 O HOH B 1 13.532 8.112 26.345 1.00 0.00 O +HETATM 1539 H1 HOH B 1 13.085 7.270 26.431 1.00 0.00 H +HETATM 1540 H2 HOH B 1 13.150 8.508 25.562 1.00 0.00 H +HETATM 1541 O HOH B 2 -3.952 -9.100 27.747 1.00 0.00 O +HETATM 1542 H1 HOH B 2 -4.117 -8.212 27.428 1.00 0.00 H +HETATM 1543 H2 HOH B 2 -3.005 -9.212 27.665 1.00 0.00 H +HETATM 1544 O HOH B 3 24.781 12.969 10.105 1.00 0.00 O +HETATM 1545 H1 HOH B 3 24.330 12.146 10.296 1.00 0.00 H +HETATM 1546 H2 HOH B 3 24.103 13.533 9.732 1.00 0.00 H +HETATM 1547 O HOH B 4 12.580 18.584 18.985 1.00 0.00 O +HETATM 1548 H1 HOH B 4 12.080 18.477 18.176 1.00 0.00 H +HETATM 1549 H2 HOH B 4 11.970 18.331 19.679 1.00 0.00 H +HETATM 1550 O HOH B 5 3.374 9.501 13.804 1.00 0.00 O +HETATM 1551 H1 HOH B 5 3.343 10.359 13.380 1.00 0.00 H +HETATM 1552 H2 HOH B 5 2.567 9.067 13.526 1.00 0.00 H +HETATM 1553 O HOH B 6 -1.796 22.834 28.363 1.00 0.00 O +HETATM 1554 H1 HOH B 6 -1.617 23.760 28.202 1.00 0.00 H +HETATM 1555 H2 HOH B 6 -2.740 22.794 28.517 1.00 0.00 H +HETATM 1556 O HOH B 7 5.380 -5.129 24.103 1.00 0.00 O +HETATM 1557 H1 HOH B 7 4.845 -5.526 23.416 1.00 0.00 H +HETATM 1558 H2 HOH B 7 5.780 -5.872 24.555 1.00 0.00 H +HETATM 1559 O HOH B 8 6.156 1.838 17.572 1.00 0.00 O +HETATM 1560 H1 HOH B 8 6.208 1.429 16.708 1.00 0.00 H +HETATM 1561 H2 HOH B 8 5.928 1.120 18.163 1.00 0.00 H +HETATM 1562 O HOH B 9 -0.245 -5.442 17.534 1.00 0.00 O +HETATM 1563 H1 HOH B 9 -0.211 -4.897 16.748 1.00 0.00 H +HETATM 1564 H2 HOH B 9 0.670 -5.537 17.800 1.00 0.00 H +HETATM 1565 O HOH B 10 3.890 17.270 -9.649 1.00 0.00 O +HETATM 1566 H1 HOH B 10 3.476 16.509 -10.056 1.00 0.00 H +HETATM 1567 H2 HOH B 10 4.735 16.946 -9.338 1.00 0.00 H +HETATM 1568 O HOH B 11 -2.150 14.770 3.566 1.00 0.00 O +HETATM 1569 H1 HOH B 11 -2.919 15.159 3.149 1.00 0.00 H +HETATM 1570 H2 HOH B 11 -1.590 15.516 3.780 1.00 0.00 H +HETATM 1571 O HOH B 12 -8.117 11.397 6.556 1.00 0.00 O +HETATM 1572 H1 HOH B 12 -8.352 11.415 7.484 1.00 0.00 H +HETATM 1573 H2 HOH B 12 -8.821 11.878 6.121 1.00 0.00 H +HETATM 1574 O HOH B 13 24.690 5.516 22.552 1.00 0.00 O +HETATM 1575 H1 HOH B 13 25.617 5.299 22.449 1.00 0.00 H +HETATM 1576 H2 HOH B 13 24.455 5.162 23.409 1.00 0.00 H +HETATM 1577 O HOH B 14 -3.765 21.071 29.939 1.00 0.00 O +HETATM 1578 H1 HOH B 14 -3.695 20.405 29.255 1.00 0.00 H +HETATM 1579 H2 HOH B 14 -3.393 20.655 30.717 1.00 0.00 H +HETATM 1580 O HOH B 15 19.902 -6.693 -1.144 1.00 0.00 O +HETATM 1581 H1 HOH B 15 19.767 -5.754 -1.271 1.00 0.00 H +HETATM 1582 H2 HOH B 15 20.657 -6.750 -0.558 1.00 0.00 H +HETATM 1583 O HOH B 16 15.354 8.471 30.403 1.00 0.00 O +HETATM 1584 H1 HOH B 16 15.223 7.537 30.241 1.00 0.00 H +HETATM 1585 H2 HOH B 16 14.773 8.907 29.779 1.00 0.00 H +HETATM 1586 O HOH B 17 25.510 11.057 14.137 1.00 0.00 O +HETATM 1587 H1 HOH B 17 24.639 11.112 14.531 1.00 0.00 H +HETATM 1588 H2 HOH B 17 25.382 10.538 13.343 1.00 0.00 H +HETATM 1589 O HOH B 18 5.150 19.217 -4.356 1.00 0.00 O +HETATM 1590 H1 HOH B 18 6.084 19.325 -4.177 1.00 0.00 H +HETATM 1591 H2 HOH B 18 5.115 18.857 -5.242 1.00 0.00 H +HETATM 1592 O HOH B 19 16.563 16.346 26.089 1.00 0.00 O +HETATM 1593 H1 HOH B 19 16.027 17.121 25.924 1.00 0.00 H +HETATM 1594 H2 HOH B 19 17.448 16.688 26.215 1.00 0.00 H +HETATM 1595 O HOH B 20 11.591 18.869 16.038 1.00 0.00 O +HETATM 1596 H1 HOH B 20 11.431 19.705 15.599 1.00 0.00 H +HETATM 1597 H2 HOH B 20 10.761 18.397 15.964 1.00 0.00 H +HETATM 1598 O HOH B 21 14.000 9.971 28.365 1.00 0.00 O +HETATM 1599 H1 HOH B 21 13.630 9.473 27.636 1.00 0.00 H +HETATM 1600 H2 HOH B 21 13.240 10.351 28.807 1.00 0.00 H +HETATM 1601 O HOH B 22 13.878 31.515 14.812 1.00 0.00 O +HETATM 1602 H1 HOH B 22 13.926 30.680 14.347 1.00 0.00 H +HETATM 1603 H2 HOH B 22 14.746 31.625 15.198 1.00 0.00 H +HETATM 1604 O HOH B 23 2.551 15.023 16.400 1.00 0.00 O +HETATM 1605 H1 HOH B 23 2.511 14.548 15.570 1.00 0.00 H +HETATM 1606 H2 HOH B 23 1.660 15.345 16.536 1.00 0.00 H +HETATM 1607 O HOH B 24 2.263 3.815 14.275 1.00 0.00 O +HETATM 1608 H1 HOH B 24 1.859 4.369 13.608 1.00 0.00 H +HETATM 1609 H2 HOH B 24 3.091 3.535 13.885 1.00 0.00 H +HETATM 1610 O HOH B 25 2.430 4.169 22.312 1.00 0.00 O +HETATM 1611 H1 HOH B 25 2.672 3.637 21.553 1.00 0.00 H +HETATM 1612 H2 HOH B 25 2.898 4.994 22.185 1.00 0.00 H +HETATM 1613 O HOH B 26 20.313 4.269 29.645 1.00 0.00 O +HETATM 1614 H1 HOH B 26 19.990 4.522 28.780 1.00 0.00 H +HETATM 1615 H2 HOH B 26 21.265 4.325 29.571 1.00 0.00 H +HETATM 1616 O HOH B 27 0.934 17.162 21.627 1.00 0.00 O +HETATM 1617 H1 HOH B 27 1.177 16.310 21.263 1.00 0.00 H +HETATM 1618 H2 HOH B 27 0.257 17.491 21.036 1.00 0.00 H +HETATM 1619 O HOH B 28 1.336 -5.313 22.102 1.00 0.00 O +HETATM 1620 H1 HOH B 28 0.634 -5.644 21.541 1.00 0.00 H +HETATM 1621 H2 HOH B 28 1.909 -4.829 21.508 1.00 0.00 H +HETATM 1622 O HOH B 29 2.294 20.833 24.602 1.00 0.00 O +HETATM 1623 H1 HOH B 29 2.538 19.910 24.524 1.00 0.00 H +HETATM 1624 H2 HOH B 29 1.782 21.013 23.814 1.00 0.00 H +HETATM 1625 O HOH B 30 -0.425 40.953 11.987 1.00 0.00 O +HETATM 1626 H1 HOH B 30 0.003 40.151 12.289 1.00 0.00 H +HETATM 1627 H2 HOH B 30 -1.064 40.654 11.339 1.00 0.00 H +HETATM 1628 O HOH B 31 6.474 -7.329 25.456 1.00 0.00 O +HETATM 1629 H1 HOH B 31 5.622 -7.728 25.632 1.00 0.00 H +HETATM 1630 H2 HOH B 31 6.845 -7.163 26.323 1.00 0.00 H +HETATM 1631 O HOH B 32 2.344 -13.817 32.913 1.00 0.00 O +HETATM 1632 H1 HOH B 32 2.444 -13.630 33.847 1.00 0.00 H +HETATM 1633 H2 HOH B 32 3.136 -14.302 32.679 1.00 0.00 H +HETATM 1634 O HOH B 33 11.935 5.890 26.177 1.00 0.00 O +HETATM 1635 H1 HOH B 33 11.101 5.463 26.372 1.00 0.00 H +HETATM 1636 H2 HOH B 33 12.496 5.185 25.853 1.00 0.00 H +HETATM 1637 O HOH B 34 3.741 11.282 38.549 1.00 0.00 O +HETATM 1638 H1 HOH B 34 3.941 12.083 38.065 1.00 0.00 H +HETATM 1639 H2 HOH B 34 4.582 10.833 38.628 1.00 0.00 H +HETATM 1640 O HOH B 35 5.674 13.187 10.733 1.00 0.00 O +HETATM 1641 H1 HOH B 35 5.439 13.476 9.851 1.00 0.00 H +HETATM 1642 H2 HOH B 35 6.631 13.182 10.737 1.00 0.00 H +HETATM 1643 O HOH B 36 9.570 19.578 21.499 1.00 0.00 O +HETATM 1644 H1 HOH B 36 8.956 19.223 22.141 1.00 0.00 H +HETATM 1645 H2 HOH B 36 10.147 20.148 22.007 1.00 0.00 H +HETATM 1646 O HOH B 37 -0.791 -11.073 17.305 1.00 0.00 O +HETATM 1647 H1 HOH B 37 -1.351 -10.298 17.269 1.00 0.00 H +HETATM 1648 H2 HOH B 37 -0.845 -11.450 16.427 1.00 0.00 H +HETATM 1649 O HOH B 38 -1.177 21.232 20.469 1.00 0.00 O +HETATM 1650 H1 HOH B 38 -1.661 20.428 20.282 1.00 0.00 H +HETATM 1651 H2 HOH B 38 -0.964 21.590 19.607 1.00 0.00 H +HETATM 1652 O HOH B 39 8.465 34.407 16.200 1.00 0.00 O +HETATM 1653 H1 HOH B 39 8.007 35.247 16.160 1.00 0.00 H +HETATM 1654 H2 HOH B 39 8.644 34.186 15.286 1.00 0.00 H +HETATM 1655 O HOH B 40 17.277 3.815 25.854 1.00 0.00 O +HETATM 1656 H1 HOH B 40 16.626 3.790 26.556 1.00 0.00 H +HETATM 1657 H2 HOH B 40 16.804 4.164 25.100 1.00 0.00 H +HETATM 1658 O HOH B 41 9.005 1.877 17.407 1.00 0.00 O +HETATM 1659 H1 HOH B 41 8.082 2.131 17.408 1.00 0.00 H +HETATM 1660 H2 HOH B 41 9.419 2.477 18.027 1.00 0.00 H +HETATM 1661 O HOH B 42 11.154 4.342 15.080 1.00 0.00 O +HETATM 1662 H1 HOH B 42 11.143 4.019 15.981 1.00 0.00 H +HETATM 1663 H2 HOH B 42 12.065 4.592 14.927 1.00 0.00 H +HETATM 1664 O HOH B 43 0.595 12.313 36.018 1.00 0.00 O +HETATM 1665 H1 HOH B 43 -0.169 12.606 36.515 1.00 0.00 H +HETATM 1666 H2 HOH B 43 0.263 12.167 35.132 1.00 0.00 H +HETATM 1667 O HOH B 44 21.475 11.890 5.049 1.00 0.00 O +HETATM 1668 H1 HOH B 44 20.693 11.440 5.371 1.00 0.00 H +HETATM 1669 H2 HOH B 44 21.151 12.730 4.724 1.00 0.00 H +HETATM 1670 O HOH B 45 3.030 2.756 17.069 1.00 0.00 O +HETATM 1671 H1 HOH B 45 3.723 2.206 16.703 1.00 0.00 H +HETATM 1672 H2 HOH B 45 2.742 3.299 16.335 1.00 0.00 H +HETATM 1673 O HOH B 46 0.173 20.951 28.413 1.00 0.00 O +HETATM 1674 H1 HOH B 46 -0.603 21.508 28.347 1.00 0.00 H +HETATM 1675 H2 HOH B 46 0.905 21.534 28.209 1.00 0.00 H +HETATM 1676 O HOH B 47 3.640 13.786 18.722 1.00 0.00 O +HETATM 1677 H1 HOH B 47 3.159 13.176 19.281 1.00 0.00 H +HETATM 1678 H2 HOH B 47 2.981 14.126 18.116 1.00 0.00 H +HETATM 1679 O HOH B 48 -10.732 -2.776 30.204 1.00 0.00 O +HETATM 1680 H1 HOH B 48 -10.414 -1.950 29.841 1.00 0.00 H +HETATM 1681 H2 HOH B 48 -11.170 -3.208 29.470 1.00 0.00 H +HETATM 1682 O HOH B 49 2.251 21.036 18.090 1.00 0.00 O +HETATM 1683 H1 HOH B 49 2.211 20.166 18.488 1.00 0.00 H +HETATM 1684 H2 HOH B 49 2.644 21.590 18.765 1.00 0.00 H +HETATM 1685 O HOH B 50 7.950 23.210 24.424 1.00 0.00 O +HETATM 1686 H1 HOH B 50 7.051 23.014 24.159 1.00 0.00 H +HETATM 1687 H2 HOH B 50 8.024 22.846 25.306 1.00 0.00 H +HETATM 1688 O HOH B 51 1.929 0.434 20.693 1.00 0.00 O +HETATM 1689 H1 HOH B 51 1.130 0.869 20.989 1.00 0.00 H +HETATM 1690 H2 HOH B 51 2.450 1.133 20.298 1.00 0.00 H +HETATM 1691 O HOH B 52 0.866 8.551 39.937 1.00 0.00 O +HETATM 1692 H1 HOH B 52 0.292 8.553 39.171 1.00 0.00 H +HETATM 1693 H2 HOH B 52 0.454 7.937 40.544 1.00 0.00 H +HETATM 1694 O HOH B 53 12.758 16.350 6.465 1.00 0.00 O +HETATM 1695 H1 HOH B 53 12.938 16.831 7.273 1.00 0.00 H +HETATM 1696 H2 HOH B 53 12.983 16.964 5.766 1.00 0.00 H +HETATM 1697 O HOH B 54 37.595 5.483 20.259 1.00 0.00 O +HETATM 1698 H1 HOH B 54 37.614 6.178 19.601 1.00 0.00 H +HETATM 1699 H2 HOH B 54 36.706 5.509 20.611 1.00 0.00 H +HETATM 1700 O HOH B 55 9.434 6.329 40.894 1.00 0.00 O +HETATM 1701 H1 HOH B 55 9.928 5.591 41.251 1.00 0.00 H +HETATM 1702 H2 HOH B 55 9.935 6.603 40.125 1.00 0.00 H +HETATM 1703 O HOH B 56 -0.821 -9.974 -3.177 1.00 0.00 O +HETATM 1704 H1 HOH B 56 -0.251 -9.946 -2.408 1.00 0.00 H +HETATM 1705 H2 HOH B 56 -0.224 -9.907 -3.922 1.00 0.00 H +HETATM 1706 O HOH B 57 14.528 9.799 23.621 1.00 0.00 O +HETATM 1707 H1 HOH B 57 14.657 10.256 24.452 1.00 0.00 H +HETATM 1708 H2 HOH B 57 15.020 10.317 22.984 1.00 0.00 H +HETATM 1709 O HOH B 58 12.624 21.898 29.214 1.00 0.00 O +HETATM 1710 H1 HOH B 58 12.643 21.105 29.751 1.00 0.00 H +HETATM 1711 H2 HOH B 58 11.778 21.865 28.768 1.00 0.00 H +HETATM 1712 O HOH B 59 22.741 9.962 13.636 1.00 0.00 O +HETATM 1713 H1 HOH B 59 22.565 10.606 14.322 1.00 0.00 H +HETATM 1714 H2 HOH B 59 21.877 9.738 13.290 1.00 0.00 H +HETATM 1715 O HOH B 60 5.623 4.692 17.613 1.00 0.00 O +HETATM 1716 H1 HOH B 60 5.382 4.773 16.690 1.00 0.00 H +HETATM 1717 H2 HOH B 60 5.953 3.797 17.697 1.00 0.00 H +HETATM 1718 O HOH B 61 29.304 18.627 19.212 1.00 0.00 O +HETATM 1719 H1 HOH B 61 29.773 18.255 18.465 1.00 0.00 H +HETATM 1720 H2 HOH B 61 29.353 17.950 19.887 1.00 0.00 H +HETATM 1721 O HOH B 62 5.657 22.863 30.707 1.00 0.00 O +HETATM 1722 H1 HOH B 62 5.322 22.002 30.455 1.00 0.00 H +HETATM 1723 H2 HOH B 62 5.468 22.930 31.643 1.00 0.00 H +HETATM 1724 O HOH B 63 3.419 6.062 18.703 1.00 0.00 O +HETATM 1725 H1 HOH B 63 2.862 6.301 17.963 1.00 0.00 H +HETATM 1726 H2 HOH B 63 4.200 5.680 18.302 1.00 0.00 H +HETATM 1727 O HOH B 64 -0.329 13.886 42.420 1.00 0.00 O +HETATM 1728 H1 HOH B 64 0.467 13.799 41.896 1.00 0.00 H +HETATM 1729 H2 HOH B 64 -0.833 13.097 42.223 1.00 0.00 H +HETATM 1730 O HOH B 65 4.845 0.152 18.981 1.00 0.00 O +HETATM 1731 H1 HOH B 65 5.221 -0.016 19.845 1.00 0.00 H +HETATM 1732 H2 HOH B 65 4.071 -0.410 18.942 1.00 0.00 H +HETATM 1733 O HOH B 66 1.116 35.817 22.345 1.00 0.00 O +HETATM 1734 H1 HOH B 66 1.534 34.957 22.301 1.00 0.00 H +HETATM 1735 H2 HOH B 66 0.316 35.722 21.828 1.00 0.00 H +HETATM 1736 O HOH B 67 21.182 4.853 32.244 1.00 0.00 O +HETATM 1737 H1 HOH B 67 20.891 4.647 31.355 1.00 0.00 H +HETATM 1738 H2 HOH B 67 20.677 5.629 32.488 1.00 0.00 H +HETATM 1739 O HOH B 68 -0.662 12.656 28.296 1.00 0.00 O +HETATM 1740 H1 HOH B 68 -1.218 12.474 27.539 1.00 0.00 H +HETATM 1741 H2 HOH B 68 -0.751 13.598 28.439 1.00 0.00 H +HETATM 1742 O HOH B 69 3.202 26.522 22.974 1.00 0.00 O +HETATM 1743 H1 HOH B 69 2.473 26.835 22.438 1.00 0.00 H +HETATM 1744 H2 HOH B 69 2.919 25.662 23.285 1.00 0.00 H +HETATM 1745 O HOH B 70 1.360 -15.257 39.437 1.00 0.00 O +HETATM 1746 H1 HOH B 70 2.163 -15.490 38.970 1.00 0.00 H +HETATM 1747 H2 HOH B 70 1.049 -16.083 39.806 1.00 0.00 H +HETATM 1748 O HOH B 71 13.127 26.491 14.169 1.00 0.00 O +HETATM 1749 H1 HOH B 71 12.732 26.506 13.297 1.00 0.00 H +HETATM 1750 H2 HOH B 71 12.438 26.814 14.750 1.00 0.00 H +HETATM 1751 O HOH B 72 3.050 3.402 19.632 1.00 0.00 O +HETATM 1752 H1 HOH B 72 3.009 4.358 19.597 1.00 0.00 H +HETATM 1753 H2 HOH B 72 2.951 3.124 18.722 1.00 0.00 H +HETATM 1754 O HOH B 73 1.172 13.690 3.556 1.00 0.00 O +HETATM 1755 H1 HOH B 73 1.577 13.297 4.329 1.00 0.00 H +HETATM 1756 H2 HOH B 73 0.544 13.034 3.254 1.00 0.00 H +HETATM 1757 O HOH B 74 4.527 6.143 15.095 1.00 0.00 O +HETATM 1758 H1 HOH B 74 3.655 6.536 15.079 1.00 0.00 H +HETATM 1759 H2 HOH B 74 5.123 6.874 14.928 1.00 0.00 H +HETATM 1760 O HOH B 75 18.000 24.779 14.890 1.00 0.00 O +HETATM 1761 H1 HOH B 75 17.073 24.904 14.687 1.00 0.00 H +HETATM 1762 H2 HOH B 75 18.154 25.330 15.657 1.00 0.00 H +HETATM 1763 O HOH B 76 2.158 14.036 21.525 1.00 0.00 O +HETATM 1764 H1 HOH B 76 1.689 14.016 20.691 1.00 0.00 H +HETATM 1765 H2 HOH B 76 1.933 13.207 21.947 1.00 0.00 H +HETATM 1766 O HOH B 77 22.510 16.098 2.988 1.00 0.00 O +HETATM 1767 H1 HOH B 77 21.875 16.552 3.542 1.00 0.00 H +HETATM 1768 H2 HOH B 77 22.664 16.698 2.258 1.00 0.00 H +HETATM 1769 O HOH B 78 22.511 20.478 26.729 1.00 0.00 O +HETATM 1770 H1 HOH B 78 23.311 20.309 26.232 1.00 0.00 H +HETATM 1771 H2 HOH B 78 22.174 21.299 26.370 1.00 0.00 H +HETATM 1772 O HOH B 79 1.958 5.729 12.144 1.00 0.00 O +HETATM 1773 H1 HOH B 79 1.501 6.562 12.266 1.00 0.00 H +HETATM 1774 H2 HOH B 79 2.047 5.642 11.195 1.00 0.00 H +HETATM 1775 O HOH B 80 7.932 18.582 23.299 1.00 0.00 O +HETATM 1776 H1 HOH B 80 7.693 18.899 24.171 1.00 0.00 H +HETATM 1777 H2 HOH B 80 7.776 17.638 23.336 1.00 0.00 H +HETATM 1778 O HOH B 81 13.477 18.985 32.317 1.00 0.00 O +HETATM 1779 H1 HOH B 81 13.701 19.375 31.473 1.00 0.00 H +HETATM 1780 H2 HOH B 81 13.920 19.537 32.962 1.00 0.00 H +HETATM 1781 O HOH B 82 -0.653 18.380 19.722 1.00 0.00 O +HETATM 1782 H1 HOH B 82 0.276 18.577 19.601 1.00 0.00 H +HETATM 1783 H2 HOH B 82 -1.081 18.765 18.957 1.00 0.00 H +HETATM 1784 O HOH B 83 3.081 21.892 26.983 1.00 0.00 O +HETATM 1785 H1 HOH B 83 3.954 22.182 26.719 1.00 0.00 H +HETATM 1786 H2 HOH B 83 2.682 21.567 26.176 1.00 0.00 H +HETATM 1787 O HOH B 84 1.854 14.140 13.892 1.00 0.00 O +HETATM 1788 H1 HOH B 84 1.837 13.261 13.513 1.00 0.00 H +HETATM 1789 H2 HOH B 84 1.956 14.724 13.141 1.00 0.00 H +HETATM 1790 O HOH B 85 7.857 33.502 18.707 1.00 0.00 O +HETATM 1791 H1 HOH B 85 7.200 32.806 18.717 1.00 0.00 H +HETATM 1792 H2 HOH B 85 7.943 33.736 17.783 1.00 0.00 H +HETATM 1793 O HOH B 86 5.448 28.021 14.845 1.00 0.00 O +HETATM 1794 H1 HOH B 86 5.946 27.744 14.076 1.00 0.00 H +HETATM 1795 H2 HOH B 86 5.393 28.973 14.766 1.00 0.00 H +HETATM 1796 O HOH B 87 18.916 17.823 -0.314 1.00 0.00 O +HETATM 1797 H1 HOH B 87 19.749 17.450 -0.603 1.00 0.00 H +HETATM 1798 H2 HOH B 87 18.988 18.756 -0.517 1.00 0.00 H +HETATM 1799 O HOH B 88 4.296 20.841 2.197 1.00 0.00 O +HETATM 1800 H1 HOH B 88 3.888 21.243 1.431 1.00 0.00 H +HETATM 1801 H2 HOH B 88 3.693 21.028 2.916 1.00 0.00 H +HETATM 1802 O HOH B 89 24.844 13.513 5.948 1.00 0.00 O +HETATM 1803 H1 HOH B 89 24.056 13.986 6.216 1.00 0.00 H +HETATM 1804 H2 HOH B 89 24.988 13.781 5.040 1.00 0.00 H +HETATM 1805 O HOH B 90 2.651 23.713 23.884 1.00 0.00 O +HETATM 1806 H1 HOH B 90 2.007 23.036 23.675 1.00 0.00 H +HETATM 1807 H2 HOH B 90 3.485 23.351 23.586 1.00 0.00 H +HETATM 1808 O HOH B 91 20.958 23.040 25.999 1.00 0.00 O +HETATM 1809 H1 HOH B 91 20.579 23.474 25.234 1.00 0.00 H +HETATM 1810 H2 HOH B 91 21.061 23.740 26.644 1.00 0.00 H +HETATM 1811 O HOH B 92 23.186 5.780 6.670 1.00 0.00 O +HETATM 1812 H1 HOH B 92 23.916 5.186 6.498 1.00 0.00 H +HETATM 1813 H2 HOH B 92 22.479 5.460 6.109 1.00 0.00 H +HETATM 1814 O HOH B 93 8.764 17.776 13.295 1.00 0.00 O +HETATM 1815 H1 HOH B 93 7.824 17.637 13.407 1.00 0.00 H +HETATM 1816 H2 HOH B 93 9.115 16.904 13.113 1.00 0.00 H +HETATM 1817 O HOH B 94 26.801 11.826 33.440 1.00 0.00 O +HETATM 1818 H1 HOH B 94 27.455 12.115 32.804 1.00 0.00 H +HETATM 1819 H2 HOH B 94 26.103 12.479 33.381 1.00 0.00 H +HETATM 1820 O HOH B 95 25.785 15.352 27.329 1.00 0.00 O +HETATM 1821 H1 HOH B 95 24.945 14.905 27.226 1.00 0.00 H +HETATM 1822 H2 HOH B 95 26.248 15.187 26.508 1.00 0.00 H +HETATM 1823 O HOH B 96 -10.715 14.873 17.964 1.00 0.00 O +HETATM 1824 H1 HOH B 96 -10.190 14.717 18.749 1.00 0.00 H +HETATM 1825 H2 HOH B 96 -10.983 15.789 18.032 1.00 0.00 H +HETATM 1826 O HOH B 97 18.904 35.168 13.624 1.00 0.00 O +HETATM 1827 H1 HOH B 97 19.483 35.797 13.192 1.00 0.00 H +HETATM 1828 H2 HOH B 97 18.805 34.459 12.989 1.00 0.00 H +HETATM 1829 O HOH B 98 20.621 9.430 36.543 1.00 0.00 O +HETATM 1830 H1 HOH B 98 21.352 8.894 36.237 1.00 0.00 H +HETATM 1831 H2 HOH B 98 20.680 10.234 36.027 1.00 0.00 H +HETATM 1832 O HOH B 99 6.865 -4.199 28.081 1.00 0.00 O +HETATM 1833 H1 HOH B 99 6.991 -5.147 28.127 1.00 0.00 H +HETATM 1834 H2 HOH B 99 6.482 -3.966 28.927 1.00 0.00 H +HETATM 1835 O HOH B 100 -6.523 9.815 12.267 1.00 0.00 O +HETATM 1836 H1 HOH B 100 -7.194 10.470 12.075 1.00 0.00 H +HETATM 1837 H2 HOH B 100 -6.230 9.513 11.407 1.00 0.00 H +HETATM 1838 O HOH B 101 1.699 18.953 2.433 1.00 0.00 O +HETATM 1839 H1 HOH B 101 1.178 19.575 1.925 1.00 0.00 H +HETATM 1840 H2 HOH B 101 1.310 18.100 2.239 1.00 0.00 H +HETATM 1841 O HOH B 102 11.994 3.871 17.672 1.00 0.00 O +HETATM 1842 H1 HOH B 102 12.005 4.200 18.571 1.00 0.00 H +HETATM 1843 H2 HOH B 102 12.848 4.116 17.316 1.00 0.00 H +HETATM 1844 O HOH B 103 0.474 16.300 29.638 1.00 0.00 O +HETATM 1845 H1 HOH B 103 0.650 15.404 29.924 1.00 0.00 H +HETATM 1846 H2 HOH B 103 0.097 16.204 28.763 1.00 0.00 H +HETATM 1847 O HOH B 104 21.598 11.776 35.288 1.00 0.00 O +HETATM 1848 H1 HOH B 104 21.149 12.291 34.617 1.00 0.00 H +HETATM 1849 H2 HOH B 104 22.425 11.519 34.879 1.00 0.00 H +HETATM 1850 O HOH B 105 -3.589 10.588 10.803 1.00 0.00 O +HETATM 1851 H1 HOH B 105 -4.400 10.730 10.315 1.00 0.00 H +HETATM 1852 H2 HOH B 105 -3.877 10.313 11.673 1.00 0.00 H +HETATM 1853 O HOH B 106 -6.577 14.207 4.004 1.00 0.00 O +HETATM 1854 H1 HOH B 106 -7.362 14.211 3.457 1.00 0.00 H +HETATM 1855 H2 HOH B 106 -5.875 14.491 3.418 1.00 0.00 H +HETATM 1856 O HOH B 107 -1.608 18.896 29.066 1.00 0.00 O +HETATM 1857 H1 HOH B 107 -1.013 19.598 28.803 1.00 0.00 H +HETATM 1858 H2 HOH B 107 -1.592 18.913 30.023 1.00 0.00 H +HETATM 1859 O HOH B 108 -3.951 12.296 2.516 1.00 0.00 O +HETATM 1860 H1 HOH B 108 -4.390 12.420 3.357 1.00 0.00 H +HETATM 1861 H2 HOH B 108 -3.052 12.063 2.747 1.00 0.00 H +HETATM 1862 O HOH B 109 9.748 -6.828 -1.155 1.00 0.00 O +HETATM 1863 H1 HOH B 109 10.158 -6.491 -1.951 1.00 0.00 H +HETATM 1864 H2 HOH B 109 9.439 -6.047 -0.695 1.00 0.00 H +HETATM 1865 O HOH B 110 -4.519 14.801 33.116 1.00 0.00 O +HETATM 1866 H1 HOH B 110 -4.384 15.558 32.546 1.00 0.00 H +HETATM 1867 H2 HOH B 110 -5.449 14.592 33.021 1.00 0.00 H +HETATM 1868 O HOH B 111 0.646 3.756 24.422 1.00 0.00 O +HETATM 1869 H1 HOH B 111 1.033 2.945 24.751 1.00 0.00 H +HETATM 1870 H2 HOH B 111 1.304 4.110 23.823 1.00 0.00 H +HETATM 1871 O HOH B 112 11.190 0.990 15.853 1.00 0.00 O +HETATM 1872 H1 HOH B 112 11.701 1.753 16.124 1.00 0.00 H +HETATM 1873 H2 HOH B 112 10.378 1.055 16.356 1.00 0.00 H +HETATM 1874 O HOH B 113 13.378 4.066 24.628 1.00 0.00 O +HETATM 1875 H1 HOH B 113 14.013 4.423 24.007 1.00 0.00 H +HETATM 1876 H2 HOH B 113 13.283 3.148 24.374 1.00 0.00 H +HETATM 1877 O HOH B 114 -4.316 7.945 35.284 1.00 0.00 O +HETATM 1878 H1 HOH B 114 -3.654 8.101 35.957 1.00 0.00 H +HETATM 1879 H2 HOH B 114 -4.064 7.111 34.888 1.00 0.00 H +HETATM 1880 O HOH B 115 5.400 3.679 14.852 1.00 0.00 O +HETATM 1881 H1 HOH B 115 4.956 4.513 15.003 1.00 0.00 H +HETATM 1882 H2 HOH B 115 5.977 3.846 14.106 1.00 0.00 H +HETATM 1883 O HOH B 116 15.353 -2.004 14.047 1.00 0.00 O +HETATM 1884 H1 HOH B 116 14.603 -1.417 14.140 1.00 0.00 H +HETATM 1885 H2 HOH B 116 14.965 -2.869 13.911 1.00 0.00 H +HETATM 1886 O HOH B 117 23.569 10.996 6.343 1.00 0.00 O +HETATM 1887 H1 HOH B 117 24.148 11.742 6.500 1.00 0.00 H +HETATM 1888 H2 HOH B 117 22.960 11.301 5.671 1.00 0.00 H +HETATM 1889 O HOH B 118 2.699 18.139 23.714 1.00 0.00 O +HETATM 1890 H1 HOH B 118 3.441 18.431 23.185 1.00 0.00 H +HETATM 1891 H2 HOH B 118 2.003 17.970 23.078 1.00 0.00 H +HETATM 1892 O HOH B 119 -14.057 16.691 16.507 1.00 0.00 O +HETATM 1893 H1 HOH B 119 -13.669 16.966 17.338 1.00 0.00 H +HETATM 1894 H2 HOH B 119 -14.303 17.509 16.075 1.00 0.00 H +HETATM 1895 O HOH B 120 -1.434 8.616 11.142 1.00 0.00 O +HETATM 1896 H1 HOH B 120 -1.613 9.342 10.544 1.00 0.00 H +HETATM 1897 H2 HOH B 120 -1.945 7.886 10.792 1.00 0.00 H +HETATM 1898 O HOH B 121 1.693 7.104 16.365 1.00 0.00 O +HETATM 1899 H1 HOH B 121 0.965 6.662 15.929 1.00 0.00 H +HETATM 1900 H2 HOH B 121 1.470 8.034 16.321 1.00 0.00 H +HETATM 1901 O HOH B 122 -5.643 16.896 25.924 1.00 0.00 O +HETATM 1902 H1 HOH B 122 -5.226 16.750 25.075 1.00 0.00 H +HETATM 1903 H2 HOH B 122 -4.918 17.090 26.518 1.00 0.00 H +HETATM 1904 O HOH B 123 30.374 18.736 31.556 1.00 0.00 O +HETATM 1905 H1 HOH B 123 29.702 18.895 30.893 1.00 0.00 H +HETATM 1906 H2 HOH B 123 30.933 18.059 31.173 1.00 0.00 H +HETATM 1907 O HOH B 124 4.279 16.849 -5.997 1.00 0.00 O +HETATM 1908 H1 HOH B 124 4.766 16.545 -6.763 1.00 0.00 H +HETATM 1909 H2 HOH B 124 4.041 16.047 -5.531 1.00 0.00 H +HETATM 1910 O HOH B 125 25.336 36.000 34.444 1.00 0.00 O +HETATM 1911 H1 HOH B 125 25.775 36.723 33.996 1.00 0.00 H +HETATM 1912 H2 HOH B 125 24.404 36.206 34.376 1.00 0.00 H +HETATM 1913 O HOH B 126 14.841 20.058 3.117 1.00 0.00 O +HETATM 1914 H1 HOH B 126 14.739 20.561 2.309 1.00 0.00 H +HETATM 1915 H2 HOH B 126 15.598 20.450 3.550 1.00 0.00 H +HETATM 1916 O HOH B 127 16.116 5.329 15.893 1.00 0.00 O +HETATM 1917 H1 HOH B 127 16.505 6.179 16.100 1.00 0.00 H +HETATM 1918 H2 HOH B 127 16.860 4.729 15.852 1.00 0.00 H +HETATM 1919 O HOH B 128 9.892 -10.349 16.091 1.00 0.00 O +HETATM 1920 H1 HOH B 128 9.257 -10.922 15.660 1.00 0.00 H +HETATM 1921 H2 HOH B 128 10.657 -10.906 16.237 1.00 0.00 H +TER 1922 HOH B 128 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 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262 255 +CONECT 263 255 +CONECT 264 256 +CONECT 265 266 269 270 271 +CONECT 266 265 267 272 273 +CONECT 267 266 268 274 275 +CONECT 268 267 276 +CONECT 269 265 +CONECT 270 265 +CONECT 271 265 +CONECT 272 266 +CONECT 273 266 +CONECT 274 267 +CONECT 275 267 +CONECT 276 268 +CONECT 277 278 281 282 283 +CONECT 278 277 279 284 285 +CONECT 279 278 280 286 287 +CONECT 280 279 288 +CONECT 281 277 +CONECT 282 277 +CONECT 283 277 +CONECT 284 278 +CONECT 285 278 +CONECT 286 279 +CONECT 287 279 +CONECT 288 280 +CONECT 289 290 293 294 295 +CONECT 290 289 291 296 297 +CONECT 291 290 292 298 299 +CONECT 292 291 300 +CONECT 293 289 +CONECT 294 289 +CONECT 295 289 +CONECT 296 290 +CONECT 297 290 +CONECT 298 291 +CONECT 299 291 +CONECT 300 292 +CONECT 301 302 305 306 307 +CONECT 302 301 303 308 309 +CONECT 303 302 304 310 311 +CONECT 304 303 312 +CONECT 305 301 +CONECT 306 301 +CONECT 307 301 +CONECT 308 302 +CONECT 309 302 +CONECT 310 303 +CONECT 311 303 +CONECT 312 304 +CONECT 313 314 317 318 319 +CONECT 314 313 315 320 321 +CONECT 315 314 316 322 323 +CONECT 316 315 324 +CONECT 317 313 +CONECT 318 313 +CONECT 319 313 +CONECT 320 314 +CONECT 321 314 +CONECT 322 315 +CONECT 323 315 +CONECT 324 316 +CONECT 325 326 329 330 331 +CONECT 326 325 327 332 333 +CONECT 327 326 328 334 335 +CONECT 328 327 336 +CONECT 329 325 +CONECT 330 325 +CONECT 331 325 +CONECT 332 326 +CONECT 333 326 +CONECT 334 327 +CONECT 335 327 +CONECT 336 328 +CONECT 337 338 341 342 343 +CONECT 338 337 339 344 345 +CONECT 339 338 340 346 347 +CONECT 340 339 348 +CONECT 341 337 +CONECT 342 337 +CONECT 343 337 +CONECT 344 338 +CONECT 345 338 +CONECT 346 339 +CONECT 347 339 +CONECT 348 340 +CONECT 349 350 353 354 355 +CONECT 350 349 351 356 357 +CONECT 351 350 352 358 359 +CONECT 352 351 360 +CONECT 353 349 +CONECT 354 349 +CONECT 355 349 +CONECT 356 350 +CONECT 357 350 +CONECT 358 351 +CONECT 359 351 +CONECT 360 352 +CONECT 361 362 365 366 367 +CONECT 362 361 363 368 369 +CONECT 363 362 364 370 371 +CONECT 364 363 372 +CONECT 365 361 +CONECT 366 361 +CONECT 367 361 +CONECT 368 362 +CONECT 369 362 +CONECT 370 363 +CONECT 371 363 +CONECT 372 364 +CONECT 373 374 377 378 379 +CONECT 374 373 375 380 381 +CONECT 375 374 376 382 383 +CONECT 376 375 384 +CONECT 377 373 +CONECT 378 373 +CONECT 379 373 +CONECT 380 374 +CONECT 381 374 +CONECT 382 375 +CONECT 383 375 +CONECT 384 376 +CONECT 385 386 389 390 391 +CONECT 386 385 387 392 393 +CONECT 387 386 388 394 395 +CONECT 388 387 396 +CONECT 389 385 +CONECT 390 385 +CONECT 391 385 +CONECT 392 386 +CONECT 393 386 +CONECT 394 387 +CONECT 395 387 +CONECT 396 388 +CONECT 397 398 401 402 403 +CONECT 398 397 399 404 405 +CONECT 399 398 400 406 407 +CONECT 400 399 408 +CONECT 401 397 +CONECT 402 397 +CONECT 403 397 +CONECT 404 398 +CONECT 405 398 +CONECT 406 399 +CONECT 407 399 +CONECT 408 400 +CONECT 409 410 413 414 415 +CONECT 410 409 411 416 417 +CONECT 411 410 412 418 419 +CONECT 412 411 420 +CONECT 413 409 +CONECT 414 409 +CONECT 415 409 +CONECT 416 410 +CONECT 417 410 +CONECT 418 411 +CONECT 419 411 +CONECT 420 412 +CONECT 421 422 425 426 427 +CONECT 422 421 423 428 429 +CONECT 423 422 424 430 431 +CONECT 424 423 432 +CONECT 425 421 +CONECT 426 421 +CONECT 427 421 +CONECT 428 422 +CONECT 429 422 +CONECT 430 423 +CONECT 431 423 +CONECT 432 424 +CONECT 433 434 437 438 439 +CONECT 434 433 435 440 441 +CONECT 435 434 436 442 443 +CONECT 436 435 444 +CONECT 437 433 +CONECT 438 433 +CONECT 439 433 +CONECT 440 434 +CONECT 441 434 +CONECT 442 435 +CONECT 443 435 +CONECT 444 436 +CONECT 445 446 449 450 451 +CONECT 446 445 447 452 453 +CONECT 447 446 448 454 455 +CONECT 448 447 456 +CONECT 449 445 +CONECT 450 445 +CONECT 451 445 +CONECT 452 446 +CONECT 453 446 +CONECT 454 447 +CONECT 455 447 +CONECT 456 448 +CONECT 457 458 461 462 463 +CONECT 458 457 459 464 465 +CONECT 459 458 460 466 467 +CONECT 460 459 468 +CONECT 461 457 +CONECT 462 457 +CONECT 463 457 +CONECT 464 458 +CONECT 465 458 +CONECT 466 459 +CONECT 467 459 +CONECT 468 460 +CONECT 469 470 473 474 475 +CONECT 470 469 471 476 477 +CONECT 471 470 472 478 479 +CONECT 472 471 480 +CONECT 473 469 +CONECT 474 469 +CONECT 475 469 +CONECT 476 470 +CONECT 477 470 +CONECT 478 471 +CONECT 479 471 +CONECT 480 472 +CONECT 481 482 485 486 487 +CONECT 482 481 483 488 489 +CONECT 483 482 484 490 491 +CONECT 484 483 492 +CONECT 485 481 +CONECT 486 481 +CONECT 487 481 +CONECT 488 482 +CONECT 489 482 +CONECT 490 483 +CONECT 491 483 +CONECT 492 484 +CONECT 493 494 497 498 499 +CONECT 494 493 495 500 501 +CONECT 495 494 496 502 503 +CONECT 496 495 504 +CONECT 497 493 +CONECT 498 493 +CONECT 499 493 +CONECT 500 494 +CONECT 501 494 +CONECT 502 495 +CONECT 503 495 +CONECT 504 496 +CONECT 505 506 509 510 511 +CONECT 506 505 507 512 513 +CONECT 507 506 508 514 515 +CONECT 508 507 516 +CONECT 509 505 +CONECT 510 505 +CONECT 511 505 +CONECT 512 506 +CONECT 513 506 +CONECT 514 507 +CONECT 515 507 +CONECT 516 508 +CONECT 517 518 521 522 523 +CONECT 518 517 519 524 525 +CONECT 519 518 520 526 527 +CONECT 520 519 528 +CONECT 521 517 +CONECT 522 517 +CONECT 523 517 +CONECT 524 518 +CONECT 525 518 +CONECT 526 519 +CONECT 527 519 +CONECT 528 520 +CONECT 529 530 533 534 535 +CONECT 530 529 531 536 537 +CONECT 531 530 532 538 539 +CONECT 532 531 540 +CONECT 533 529 +CONECT 534 529 +CONECT 535 529 +CONECT 536 530 +CONECT 537 530 +CONECT 538 531 +CONECT 539 531 +CONECT 540 532 +CONECT 541 542 545 546 547 +CONECT 542 541 543 548 549 +CONECT 543 542 544 550 551 +CONECT 544 543 552 +CONECT 545 541 +CONECT 546 541 +CONECT 547 541 +CONECT 548 542 +CONECT 549 542 +CONECT 550 543 +CONECT 551 543 +CONECT 552 544 +CONECT 553 554 557 558 559 +CONECT 554 553 555 560 561 +CONECT 555 554 556 562 563 +CONECT 556 555 564 +CONECT 557 553 +CONECT 558 553 +CONECT 559 553 +CONECT 560 554 +CONECT 561 554 +CONECT 562 555 +CONECT 563 555 +CONECT 564 556 +CONECT 565 566 569 570 571 +CONECT 566 565 567 572 573 +CONECT 567 566 568 574 575 +CONECT 568 567 576 +CONECT 569 565 +CONECT 570 565 +CONECT 571 565 +CONECT 572 566 +CONECT 573 566 +CONECT 574 567 +CONECT 575 567 +CONECT 576 568 +CONECT 577 578 581 582 583 +CONECT 578 577 579 584 585 +CONECT 579 578 580 586 587 +CONECT 580 579 588 +CONECT 581 577 +CONECT 582 577 +CONECT 583 577 +CONECT 584 578 +CONECT 585 578 +CONECT 586 579 +CONECT 587 579 +CONECT 588 580 +CONECT 589 590 593 594 595 +CONECT 590 589 591 596 597 +CONECT 591 590 592 598 599 +CONECT 592 591 600 +CONECT 593 589 +CONECT 594 589 +CONECT 595 589 +CONECT 596 590 +CONECT 597 590 +CONECT 598 591 +CONECT 599 591 +CONECT 600 592 +CONECT 601 602 605 606 607 +CONECT 602 601 603 608 609 +CONECT 603 602 604 610 611 +CONECT 604 603 612 +CONECT 605 601 +CONECT 606 601 +CONECT 607 601 +CONECT 608 602 +CONECT 609 602 +CONECT 610 603 +CONECT 611 603 +CONECT 612 604 +CONECT 613 614 617 618 619 +CONECT 614 613 615 620 621 +CONECT 615 614 616 622 623 +CONECT 616 615 624 +CONECT 617 613 +CONECT 618 613 +CONECT 619 613 +CONECT 620 614 +CONECT 621 614 +CONECT 622 615 +CONECT 623 615 +CONECT 624 616 +CONECT 625 626 629 630 631 +CONECT 626 625 627 632 633 +CONECT 627 626 628 634 635 +CONECT 628 627 636 +CONECT 629 625 +CONECT 630 625 +CONECT 631 625 +CONECT 632 626 +CONECT 633 626 +CONECT 634 627 +CONECT 635 627 +CONECT 636 628 +CONECT 637 638 641 642 643 +CONECT 638 637 639 644 645 +CONECT 639 638 640 646 647 +CONECT 640 639 648 +CONECT 641 637 +CONECT 642 637 +CONECT 643 637 +CONECT 644 638 +CONECT 645 638 +CONECT 646 639 +CONECT 647 639 +CONECT 648 640 +CONECT 649 650 653 654 655 +CONECT 650 649 651 656 657 +CONECT 651 650 652 658 659 +CONECT 652 651 660 +CONECT 653 649 +CONECT 654 649 +CONECT 655 649 +CONECT 656 650 +CONECT 657 650 +CONECT 658 651 +CONECT 659 651 +CONECT 660 652 +CONECT 661 662 665 666 667 +CONECT 662 661 663 668 669 +CONECT 663 662 664 670 671 +CONECT 664 663 672 +CONECT 665 661 +CONECT 666 661 +CONECT 667 661 +CONECT 668 662 +CONECT 669 662 +CONECT 670 663 +CONECT 671 663 +CONECT 672 664 +CONECT 673 674 677 678 679 +CONECT 674 673 675 680 681 +CONECT 675 674 676 682 683 +CONECT 676 675 684 +CONECT 677 673 +CONECT 678 673 +CONECT 679 673 +CONECT 680 674 +CONECT 681 674 +CONECT 682 675 +CONECT 683 675 +CONECT 684 676 +CONECT 685 686 689 690 691 +CONECT 686 685 687 692 693 +CONECT 687 686 688 694 695 +CONECT 688 687 696 +CONECT 689 685 +CONECT 690 685 +CONECT 691 685 +CONECT 692 686 +CONECT 693 686 +CONECT 694 687 +CONECT 695 687 +CONECT 696 688 +CONECT 697 698 701 702 703 +CONECT 698 697 699 704 705 +CONECT 699 698 700 706 707 +CONECT 700 699 708 +CONECT 701 697 +CONECT 702 697 +CONECT 703 697 +CONECT 704 698 +CONECT 705 698 +CONECT 706 699 +CONECT 707 699 +CONECT 708 700 +CONECT 709 710 713 714 715 +CONECT 710 709 711 716 717 +CONECT 711 710 712 718 719 +CONECT 712 711 720 +CONECT 713 709 +CONECT 714 709 +CONECT 715 709 +CONECT 716 710 +CONECT 717 710 +CONECT 718 711 +CONECT 719 711 +CONECT 720 712 +CONECT 721 722 725 726 727 +CONECT 722 721 723 728 729 +CONECT 723 722 724 730 731 +CONECT 724 723 732 +CONECT 725 721 +CONECT 726 721 +CONECT 727 721 +CONECT 728 722 +CONECT 729 722 +CONECT 730 723 +CONECT 731 723 +CONECT 732 724 +CONECT 733 734 737 738 739 +CONECT 734 733 735 740 741 +CONECT 735 734 736 742 743 +CONECT 736 735 744 +CONECT 737 733 +CONECT 738 733 +CONECT 739 733 +CONECT 740 734 +CONECT 741 734 +CONECT 742 735 +CONECT 743 735 +CONECT 744 736 +CONECT 745 746 749 750 751 +CONECT 746 745 747 752 753 +CONECT 747 746 748 754 755 +CONECT 748 747 756 +CONECT 749 745 +CONECT 750 745 +CONECT 751 745 +CONECT 752 746 +CONECT 753 746 +CONECT 754 747 +CONECT 755 747 +CONECT 756 748 +CONECT 757 758 761 762 763 +CONECT 758 757 759 764 765 +CONECT 759 758 760 766 767 +CONECT 760 759 768 +CONECT 761 757 +CONECT 762 757 +CONECT 763 757 +CONECT 764 758 +CONECT 765 758 +CONECT 766 759 +CONECT 767 759 +CONECT 768 760 +CONECT 769 770 773 774 775 +CONECT 770 769 771 776 777 +CONECT 771 770 772 778 779 +CONECT 772 771 780 +CONECT 773 769 +CONECT 774 769 +CONECT 775 769 +CONECT 776 770 +CONECT 777 770 +CONECT 778 771 +CONECT 779 771 +CONECT 780 772 +CONECT 781 782 785 786 787 +CONECT 782 781 783 788 789 +CONECT 783 782 784 790 791 +CONECT 784 783 792 +CONECT 785 781 +CONECT 786 781 +CONECT 787 781 +CONECT 788 782 +CONECT 789 782 +CONECT 790 783 +CONECT 791 783 +CONECT 792 784 +CONECT 793 794 797 798 799 +CONECT 794 793 795 800 801 +CONECT 795 794 796 802 803 +CONECT 796 795 804 +CONECT 797 793 +CONECT 798 793 +CONECT 799 793 +CONECT 800 794 +CONECT 801 794 +CONECT 802 795 +CONECT 803 795 +CONECT 804 796 +CONECT 805 806 809 810 811 +CONECT 806 805 807 812 813 +CONECT 807 806 808 814 815 +CONECT 808 807 816 +CONECT 809 805 +CONECT 810 805 +CONECT 811 805 +CONECT 812 806 +CONECT 813 806 +CONECT 814 807 +CONECT 815 807 +CONECT 816 808 +CONECT 817 818 821 822 823 +CONECT 818 817 819 824 825 +CONECT 819 818 820 826 827 +CONECT 820 819 828 +CONECT 821 817 +CONECT 822 817 +CONECT 823 817 +CONECT 824 818 +CONECT 825 818 +CONECT 826 819 +CONECT 827 819 +CONECT 828 820 +CONECT 829 830 833 834 835 +CONECT 830 829 831 836 837 +CONECT 831 830 832 838 839 +CONECT 832 831 840 +CONECT 833 829 +CONECT 834 829 +CONECT 835 829 +CONECT 836 830 +CONECT 837 830 +CONECT 838 831 +CONECT 839 831 +CONECT 840 832 +CONECT 841 842 845 846 847 +CONECT 842 841 843 848 849 +CONECT 843 842 844 850 851 +CONECT 844 843 852 +CONECT 845 841 +CONECT 846 841 +CONECT 847 841 +CONECT 848 842 +CONECT 849 842 +CONECT 850 843 +CONECT 851 843 +CONECT 852 844 +CONECT 853 854 857 858 859 +CONECT 854 853 855 860 861 +CONECT 855 854 856 862 863 +CONECT 856 855 864 +CONECT 857 853 +CONECT 858 853 +CONECT 859 853 +CONECT 860 854 +CONECT 861 854 +CONECT 862 855 +CONECT 863 855 +CONECT 864 856 +CONECT 865 866 869 870 871 +CONECT 866 865 867 872 873 +CONECT 867 866 868 874 875 +CONECT 868 867 876 +CONECT 869 865 +CONECT 870 865 +CONECT 871 865 +CONECT 872 866 +CONECT 873 866 +CONECT 874 867 +CONECT 875 867 +CONECT 876 868 +CONECT 877 878 881 882 883 +CONECT 878 877 879 884 885 +CONECT 879 878 880 886 887 +CONECT 880 879 888 +CONECT 881 877 +CONECT 882 877 +CONECT 883 877 +CONECT 884 878 +CONECT 885 878 +CONECT 886 879 +CONECT 887 879 +CONECT 888 880 +CONECT 889 890 893 894 895 +CONECT 890 889 891 896 897 +CONECT 891 890 892 898 899 +CONECT 892 891 900 +CONECT 893 889 +CONECT 894 889 +CONECT 895 889 +CONECT 896 890 +CONECT 897 890 +CONECT 898 891 +CONECT 899 891 +CONECT 900 892 +CONECT 901 902 905 906 907 +CONECT 902 901 903 908 909 +CONECT 903 902 904 910 911 +CONECT 904 903 912 +CONECT 905 901 +CONECT 906 901 +CONECT 907 901 +CONECT 908 902 +CONECT 909 902 +CONECT 910 903 +CONECT 911 903 +CONECT 912 904 +CONECT 913 914 917 918 919 +CONECT 914 913 915 920 921 +CONECT 915 914 916 922 923 +CONECT 916 915 924 +CONECT 917 913 +CONECT 918 913 +CONECT 919 913 +CONECT 920 914 +CONECT 921 914 +CONECT 922 915 +CONECT 923 915 +CONECT 924 916 +CONECT 925 926 929 930 931 +CONECT 926 925 927 932 933 +CONECT 927 926 928 934 935 +CONECT 928 927 936 +CONECT 929 925 +CONECT 930 925 +CONECT 931 925 +CONECT 932 926 +CONECT 933 926 +CONECT 934 927 +CONECT 935 927 +CONECT 936 928 +CONECT 937 938 941 942 943 +CONECT 938 937 939 944 945 +CONECT 939 938 940 946 947 +CONECT 940 939 948 +CONECT 941 937 +CONECT 942 937 +CONECT 943 937 +CONECT 944 938 +CONECT 945 938 +CONECT 946 939 +CONECT 947 939 +CONECT 948 940 +CONECT 949 950 953 954 955 +CONECT 950 949 951 956 957 +CONECT 951 950 952 958 959 +CONECT 952 951 960 +CONECT 953 949 +CONECT 954 949 +CONECT 955 949 +CONECT 956 950 +CONECT 957 950 +CONECT 958 951 +CONECT 959 951 +CONECT 960 952 +CONECT 961 962 965 966 967 +CONECT 962 961 963 968 969 +CONECT 963 962 964 970 971 +CONECT 964 963 972 +CONECT 965 961 +CONECT 966 961 +CONECT 967 961 +CONECT 968 962 +CONECT 969 962 +CONECT 970 963 +CONECT 971 963 +CONECT 972 964 +CONECT 973 974 977 978 979 +CONECT 974 973 975 980 981 +CONECT 975 974 976 982 983 +CONECT 976 975 984 +CONECT 977 973 +CONECT 978 973 +CONECT 979 973 +CONECT 980 974 +CONECT 981 974 +CONECT 982 975 +CONECT 983 975 +CONECT 984 976 +CONECT 985 986 989 990 991 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1034 1037 1038 1039 +CONECT 1034 1033 1035 1040 1041 +CONECT 1035 1034 1036 1042 1043 +CONECT 1036 1035 1044 +CONECT 1037 1033 +CONECT 1038 1033 +CONECT 1039 1033 +CONECT 1040 1034 +CONECT 1041 1034 +CONECT 1042 1035 +CONECT 1043 1035 +CONECT 1044 1036 +CONECT 1045 1046 1049 1050 1051 +CONECT 1046 1045 1047 1052 1053 +CONECT 1047 1046 1048 1054 1055 +CONECT 1048 1047 1056 +CONECT 1049 1045 +CONECT 1050 1045 +CONECT 1051 1045 +CONECT 1052 1046 +CONECT 1053 1046 +CONECT 1054 1047 +CONECT 1055 1047 +CONECT 1056 1048 +CONECT 1057 1058 1061 1062 1063 +CONECT 1058 1057 1059 1064 1065 +CONECT 1059 1058 1060 1066 1067 +CONECT 1060 1059 1068 +CONECT 1061 1057 +CONECT 1062 1057 +CONECT 1063 1057 +CONECT 1064 1058 +CONECT 1065 1058 +CONECT 1066 1059 +CONECT 1067 1059 +CONECT 1068 1060 +CONECT 1069 1070 1073 1074 1075 +CONECT 1070 1069 1071 1076 1077 +CONECT 1071 1070 1072 1078 1079 +CONECT 1072 1071 1080 +CONECT 1073 1069 +CONECT 1074 1069 +CONECT 1075 1069 +CONECT 1076 1070 +CONECT 1077 1070 +CONECT 1078 1071 +CONECT 1079 1071 +CONECT 1080 1072 +CONECT 1081 1082 1085 1086 1087 +CONECT 1082 1081 1083 1088 1089 +CONECT 1083 1082 1084 1090 1091 +CONECT 1084 1083 1092 +CONECT 1085 1081 +CONECT 1086 1081 +CONECT 1087 1081 +CONECT 1088 1082 +CONECT 1089 1082 +CONECT 1090 1083 +CONECT 1091 1083 +CONECT 1092 1084 +CONECT 1093 1094 1097 1098 1099 +CONECT 1094 1093 1095 1100 1101 +CONECT 1095 1094 1096 1102 1103 +CONECT 1096 1095 1104 +CONECT 1097 1093 +CONECT 1098 1093 +CONECT 1099 1093 +CONECT 1100 1094 +CONECT 1101 1094 +CONECT 1102 1095 +CONECT 1103 1095 +CONECT 1104 1096 +CONECT 1105 1106 1109 1110 1111 +CONECT 1106 1105 1107 1112 1113 +CONECT 1107 1106 1108 1114 1115 +CONECT 1108 1107 1116 +CONECT 1109 1105 +CONECT 1110 1105 +CONECT 1111 1105 +CONECT 1112 1106 +CONECT 1113 1106 +CONECT 1114 1107 +CONECT 1115 1107 +CONECT 1116 1108 +CONECT 1117 1118 1121 1122 1123 +CONECT 1118 1117 1119 1124 1125 +CONECT 1119 1118 1120 1126 1127 +CONECT 1120 1119 1128 +CONECT 1121 1117 +CONECT 1122 1117 +CONECT 1123 1117 +CONECT 1124 1118 +CONECT 1125 1118 +CONECT 1126 1119 +CONECT 1127 1119 +CONECT 1128 1120 +CONECT 1129 1130 1133 1134 1135 +CONECT 1130 1129 1131 1136 1137 +CONECT 1131 1130 1132 1138 1139 +CONECT 1132 1131 1140 +CONECT 1133 1129 +CONECT 1134 1129 +CONECT 1135 1129 +CONECT 1136 1130 +CONECT 1137 1130 +CONECT 1138 1131 +CONECT 1139 1131 +CONECT 1140 1132 +CONECT 1141 1142 1145 1146 1147 +CONECT 1142 1141 1143 1148 1149 +CONECT 1143 1142 1144 1150 1151 +CONECT 1144 1143 1152 +CONECT 1145 1141 +CONECT 1146 1141 +CONECT 1147 1141 +CONECT 1148 1142 +CONECT 1149 1142 +CONECT 1150 1143 +CONECT 1151 1143 +CONECT 1152 1144 +CONECT 1153 1154 1157 1158 1159 +CONECT 1154 1153 1155 1160 1161 +CONECT 1155 1154 1156 1162 1163 +CONECT 1156 1155 1164 +CONECT 1157 1153 +CONECT 1158 1153 +CONECT 1159 1153 +CONECT 1160 1154 +CONECT 1161 1154 +CONECT 1162 1155 +CONECT 1163 1155 +CONECT 1164 1156 +CONECT 1165 1166 1169 1170 1171 +CONECT 1166 1165 1167 1172 1173 +CONECT 1167 1166 1168 1174 1175 +CONECT 1168 1167 1176 +CONECT 1169 1165 +CONECT 1170 1165 +CONECT 1171 1165 +CONECT 1172 1166 +CONECT 1173 1166 +CONECT 1174 1167 +CONECT 1175 1167 +CONECT 1176 1168 +CONECT 1177 1178 1181 1182 1183 +CONECT 1178 1177 1179 1184 1185 +CONECT 1179 1178 1180 1186 1187 +CONECT 1180 1179 1188 +CONECT 1181 1177 +CONECT 1182 1177 +CONECT 1183 1177 +CONECT 1184 1178 +CONECT 1185 1178 +CONECT 1186 1179 +CONECT 1187 1179 +CONECT 1188 1180 +CONECT 1189 1190 1193 1194 1195 +CONECT 1190 1189 1191 1196 1197 +CONECT 1191 1190 1192 1198 1199 +CONECT 1192 1191 1200 +CONECT 1193 1189 +CONECT 1194 1189 +CONECT 1195 1189 +CONECT 1196 1190 +CONECT 1197 1190 +CONECT 1198 1191 +CONECT 1199 1191 +CONECT 1200 1192 +CONECT 1201 1202 1205 1206 1207 +CONECT 1202 1201 1203 1208 1209 +CONECT 1203 1202 1204 1210 1211 +CONECT 1204 1203 1212 +CONECT 1205 1201 +CONECT 1206 1201 +CONECT 1207 1201 +CONECT 1208 1202 +CONECT 1209 1202 +CONECT 1210 1203 +CONECT 1211 1203 +CONECT 1212 1204 +CONECT 1213 1214 1217 1218 1219 +CONECT 1214 1213 1215 1220 1221 +CONECT 1215 1214 1216 1222 1223 +CONECT 1216 1215 1224 +CONECT 1217 1213 +CONECT 1218 1213 +CONECT 1219 1213 +CONECT 1220 1214 +CONECT 1221 1214 +CONECT 1222 1215 +CONECT 1223 1215 +CONECT 1224 1216 +CONECT 1225 1226 1229 1230 1231 +CONECT 1226 1225 1227 1232 1233 +CONECT 1227 1226 1228 1234 1235 +CONECT 1228 1227 1236 +CONECT 1229 1225 +CONECT 1230 1225 +CONECT 1231 1225 +CONECT 1232 1226 +CONECT 1233 1226 +CONECT 1234 1227 +CONECT 1235 1227 +CONECT 1236 1228 +CONECT 1237 1238 1241 1242 1243 +CONECT 1238 1237 1239 1244 1245 +CONECT 1239 1238 1240 1246 1247 +CONECT 1240 1239 1248 +CONECT 1241 1237 +CONECT 1242 1237 +CONECT 1243 1237 +CONECT 1244 1238 +CONECT 1245 1238 +CONECT 1246 1239 +CONECT 1247 1239 +CONECT 1248 1240 +CONECT 1249 1250 1253 1254 1255 +CONECT 1250 1249 1251 1256 1257 +CONECT 1251 1250 1252 1258 1259 +CONECT 1252 1251 1260 +CONECT 1253 1249 +CONECT 1254 1249 +CONECT 1255 1249 +CONECT 1256 1250 +CONECT 1257 1250 +CONECT 1258 1251 +CONECT 1259 1251 +CONECT 1260 1252 +CONECT 1261 1262 1265 1266 1267 +CONECT 1262 1261 1263 1268 1269 +CONECT 1263 1262 1264 1270 1271 +CONECT 1264 1263 1272 +CONECT 1265 1261 +CONECT 1266 1261 +CONECT 1267 1261 +CONECT 1268 1262 +CONECT 1269 1262 +CONECT 1270 1263 +CONECT 1271 1263 +CONECT 1272 1264 +CONECT 1273 1274 1277 1278 1279 +CONECT 1274 1273 1275 1280 1281 +CONECT 1275 1274 1276 1282 1283 +CONECT 1276 1275 1284 +CONECT 1277 1273 +CONECT 1278 1273 +CONECT 1279 1273 +CONECT 1280 1274 +CONECT 1281 1274 +CONECT 1282 1275 +CONECT 1283 1275 +CONECT 1284 1276 +CONECT 1285 1286 1289 1290 1291 +CONECT 1286 1285 1287 1292 1293 +CONECT 1287 1286 1288 1294 1295 +CONECT 1288 1287 1296 +CONECT 1289 1285 +CONECT 1290 1285 +CONECT 1291 1285 +CONECT 1292 1286 +CONECT 1293 1286 +CONECT 1294 1287 +CONECT 1295 1287 +CONECT 1296 1288 +CONECT 1297 1298 1301 1302 1303 +CONECT 1298 1297 1299 1304 1305 +CONECT 1299 1298 1300 1306 1307 +CONECT 1300 1299 1308 +CONECT 1301 1297 +CONECT 1302 1297 +CONECT 1303 1297 +CONECT 1304 1298 +CONECT 1305 1298 +CONECT 1306 1299 +CONECT 1307 1299 +CONECT 1308 1300 +CONECT 1309 1310 1313 1314 1315 +CONECT 1310 1309 1311 1316 1317 +CONECT 1311 1310 1312 1318 1319 +CONECT 1312 1311 1320 +CONECT 1313 1309 +CONECT 1314 1309 +CONECT 1315 1309 +CONECT 1316 1310 +CONECT 1317 1310 +CONECT 1318 1311 +CONECT 1319 1311 +CONECT 1320 1312 +CONECT 1321 1322 1325 1326 1327 +CONECT 1322 1321 1323 1328 1329 +CONECT 1323 1322 1324 1330 1331 +CONECT 1324 1323 1332 +CONECT 1325 1321 +CONECT 1326 1321 +CONECT 1327 1321 +CONECT 1328 1322 +CONECT 1329 1322 +CONECT 1330 1323 +CONECT 1331 1323 +CONECT 1332 1324 +CONECT 1333 1334 1337 1338 1339 +CONECT 1334 1333 1335 1340 1341 +CONECT 1335 1334 1336 1342 1343 +CONECT 1336 1335 1344 +CONECT 1337 1333 +CONECT 1338 1333 +CONECT 1339 1333 +CONECT 1340 1334 +CONECT 1341 1334 +CONECT 1342 1335 +CONECT 1343 1335 +CONECT 1344 1336 +CONECT 1345 1346 1349 1350 1351 +CONECT 1346 1345 1347 1352 1353 +CONECT 1347 1346 1348 1354 1355 +CONECT 1348 1347 1356 +CONECT 1349 1345 +CONECT 1350 1345 +CONECT 1351 1345 +CONECT 1352 1346 +CONECT 1353 1346 +CONECT 1354 1347 +CONECT 1355 1347 +CONECT 1356 1348 +CONECT 1357 1358 1361 1362 1363 +CONECT 1358 1357 1359 1364 1365 +CONECT 1359 1358 1360 1366 1367 +CONECT 1360 1359 1368 +CONECT 1361 1357 +CONECT 1362 1357 +CONECT 1363 1357 +CONECT 1364 1358 +CONECT 1365 1358 +CONECT 1366 1359 +CONECT 1367 1359 +CONECT 1368 1360 +CONECT 1369 1370 1373 1374 1375 +CONECT 1370 1369 1371 1376 1377 +CONECT 1371 1370 1372 1378 1379 +CONECT 1372 1371 1380 +CONECT 1373 1369 +CONECT 1374 1369 +CONECT 1375 1369 +CONECT 1376 1370 +CONECT 1377 1370 +CONECT 1378 1371 +CONECT 1379 1371 +CONECT 1380 1372 +CONECT 1381 1382 1385 1386 1387 +CONECT 1382 1381 1383 1388 1389 +CONECT 1383 1382 1384 1390 1391 +CONECT 1384 1383 1392 +CONECT 1385 1381 +CONECT 1386 1381 +CONECT 1387 1381 +CONECT 1388 1382 +CONECT 1389 1382 +CONECT 1390 1383 +CONECT 1391 1383 +CONECT 1392 1384 +CONECT 1393 1394 1397 1398 1399 +CONECT 1394 1393 1395 1400 1401 +CONECT 1395 1394 1396 1402 1403 +CONECT 1396 1395 1404 +CONECT 1397 1393 +CONECT 1398 1393 +CONECT 1399 1393 +CONECT 1400 1394 +CONECT 1401 1394 +CONECT 1402 1395 +CONECT 1403 1395 +CONECT 1404 1396 +CONECT 1405 1406 1409 1410 1411 +CONECT 1406 1405 1407 1412 1413 +CONECT 1407 1406 1408 1414 1415 +CONECT 1408 1407 1416 +CONECT 1409 1405 +CONECT 1410 1405 +CONECT 1411 1405 +CONECT 1412 1406 +CONECT 1413 1406 +CONECT 1414 1407 +CONECT 1415 1407 +CONECT 1416 1408 +CONECT 1417 1418 1421 1422 1423 +CONECT 1418 1417 1419 1424 1425 +CONECT 1419 1418 1420 1426 1427 +CONECT 1420 1419 1428 +CONECT 1421 1417 +CONECT 1422 1417 +CONECT 1423 1417 +CONECT 1424 1418 +CONECT 1425 1418 +CONECT 1426 1419 +CONECT 1427 1419 +CONECT 1428 1420 +CONECT 1429 1430 1433 1434 1435 +CONECT 1430 1429 1431 1436 1437 +CONECT 1431 1430 1432 1438 1439 +CONECT 1432 1431 1440 +CONECT 1433 1429 +CONECT 1434 1429 +CONECT 1435 1429 +CONECT 1436 1430 +CONECT 1437 1430 +CONECT 1438 1431 +CONECT 1439 1431 +CONECT 1440 1432 +CONECT 1441 1442 1445 1446 1447 +CONECT 1442 1441 1443 1448 1449 +CONECT 1443 1442 1444 1450 1451 +CONECT 1444 1443 1452 +CONECT 1445 1441 +CONECT 1446 1441 +CONECT 1447 1441 +CONECT 1448 1442 +CONECT 1449 1442 +CONECT 1450 1443 +CONECT 1451 1443 +CONECT 1452 1444 +CONECT 1453 1454 1457 1458 1459 +CONECT 1454 1453 1455 1460 1461 +CONECT 1455 1454 1456 1462 1463 +CONECT 1456 1455 1464 +CONECT 1457 1453 +CONECT 1458 1453 +CONECT 1459 1453 +CONECT 1460 1454 +CONECT 1461 1454 +CONECT 1462 1455 +CONECT 1463 1455 +CONECT 1464 1456 +CONECT 1465 1466 1469 1470 1471 +CONECT 1466 1465 1467 1472 1473 +CONECT 1467 1466 1468 1474 1475 +CONECT 1468 1467 1476 +CONECT 1469 1465 +CONECT 1470 1465 +CONECT 1471 1465 +CONECT 1472 1466 +CONECT 1473 1466 +CONECT 1474 1467 +CONECT 1475 1467 +CONECT 1476 1468 +CONECT 1477 1478 1481 1482 1483 +CONECT 1478 1477 1479 1484 1485 +CONECT 1479 1478 1480 1486 1487 +CONECT 1480 1479 1488 +CONECT 1481 1477 +CONECT 1482 1477 +CONECT 1483 1477 +CONECT 1484 1478 +CONECT 1485 1478 +CONECT 1486 1479 +CONECT 1487 1479 +CONECT 1488 1480 +CONECT 1489 1490 1493 1494 1495 +CONECT 1490 1489 1491 1496 1497 +CONECT 1491 1490 1492 1498 1499 +CONECT 1492 1491 1500 +CONECT 1493 1489 +CONECT 1494 1489 +CONECT 1495 1489 +CONECT 1496 1490 +CONECT 1497 1490 +CONECT 1498 1491 +CONECT 1499 1491 +CONECT 1500 1492 +CONECT 1501 1502 1505 1506 1507 +CONECT 1502 1501 1503 1508 1509 +CONECT 1503 1502 1504 1510 1511 +CONECT 1504 1503 1512 +CONECT 1505 1501 +CONECT 1506 1501 +CONECT 1507 1501 +CONECT 1508 1502 +CONECT 1509 1502 +CONECT 1510 1503 +CONECT 1511 1503 +CONECT 1512 1504 +CONECT 1513 1514 1517 1518 1519 +CONECT 1514 1513 1515 1520 1521 +CONECT 1515 1514 1516 1522 1523 +CONECT 1516 1515 1524 +CONECT 1517 1513 +CONECT 1518 1513 +CONECT 1519 1513 +CONECT 1520 1514 +CONECT 1521 1514 +CONECT 1522 1515 +CONECT 1523 1515 +CONECT 1524 1516 +CONECT 1525 1526 1529 1530 1531 +CONECT 1526 1525 1527 1532 1533 +CONECT 1527 1526 1528 1534 1535 +CONECT 1528 1527 1536 +CONECT 1529 1525 +CONECT 1530 1525 +CONECT 1531 1525 +CONECT 1532 1526 +CONECT 1533 1526 +CONECT 1534 1527 +CONECT 1535 1527 +CONECT 1536 1528 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/openmm_statistics.csv b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/openmm_statistics.csv new file mode 100644 index 00000000..ac46846f --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/openmm_statistics.csv @@ -0,0 +1,501 @@ +#"Step","Potential Energy (kJ/mole)","Kinetic Energy (kJ/mole)","Total Energy (kJ/mole)","Temperature (K)","Box Volume (nm^3)","Density (g/mL)","Speed (ns/day)" 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+994000,-5791.431315173395,5093.261637261987,-698.1696779114081,281.5158878503078,20.0494642376303,0.8280692515164245,517 +996000,-5982.1789404261945,5148.832872837332,-833.3460675888628,284.587433519095,20.20525273135988,0.821684591887926,517 +998000,-6115.656731470204,5199.584178015863,-916.0725534543417,287.39257092502976,19.779513935412012,0.8393707195623265,517 +1000000,-6115.153040057885,5114.536557170119,-1000.6164828877663,282.6917999462161,19.8456816722735,0.8365721630895179,517 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/output.pdb new file mode 100644 index 00000000..650eec07 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/output.pdb @@ -0,0 +1,3461 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 27.074 27.074 27.074 90.00 90.00 90.00 P 1 1 +HETATM 1 C1 HMW A 1 -15.958 -7.048 22.713 1.00 0.00 C +HETATM 2 C2 HMW A 1 -14.553 -6.791 22.243 1.00 0.00 C +HETATM 3 C3 HMW A 1 -14.419 -5.837 20.993 1.00 0.00 C +HETATM 4 O1 HMW A 1 -14.993 -4.541 21.118 1.00 0.00 O +HETATM 5 H1 HMW A 1 -15.940 -7.944 23.333 1.00 0.00 H +HETATM 6 H2 HMW A 1 -16.429 -6.227 23.255 1.00 0.00 H +HETATM 7 H3 HMW A 1 -16.591 -7.206 21.840 1.00 0.00 H +HETATM 8 H4 HMW A 1 -13.962 -6.413 23.079 1.00 0.00 H +HETATM 9 H5 HMW A 1 -14.175 -7.778 21.977 1.00 0.00 H +HETATM 10 H6 HMW A 1 -14.832 -6.287 20.090 1.00 0.00 H +HETATM 11 H7 HMW A 1 -13.344 -5.748 20.836 1.00 0.00 H +HETATM 12 H8 HMW A 1 -14.763 -4.140 21.984 1.00 0.00 H +HETATM 13 C1 HMW A 2 9.021 41.201 25.000 1.00 0.00 C +HETATM 14 C2 HMW A 2 10.506 41.355 25.282 1.00 0.00 C +HETATM 15 C3 HMW A 2 11.404 40.297 24.581 1.00 0.00 C +HETATM 16 O1 HMW A 2 10.972 38.978 24.714 1.00 0.00 O +HETATM 17 H1 HMW A 2 8.500 41.952 25.594 1.00 0.00 H +HETATM 18 H2 HMW A 2 8.848 41.242 23.924 1.00 0.00 H +HETATM 19 H3 HMW A 2 8.681 40.251 25.411 1.00 0.00 H +HETATM 20 H4 HMW A 2 10.816 42.369 25.030 1.00 0.00 H +HETATM 21 H5 HMW A 2 10.628 41.355 26.365 1.00 0.00 H +HETATM 22 H6 HMW A 2 12.458 40.288 24.860 1.00 0.00 H +HETATM 23 H7 HMW A 2 11.425 40.577 23.528 1.00 0.00 H +HETATM 24 H8 HMW A 2 10.860 38.636 25.626 1.00 0.00 H +HETATM 25 C1 HMW A 3 26.779 43.486 40.228 1.00 0.00 C +HETATM 26 C2 HMW A 3 27.606 42.165 40.465 1.00 0.00 C +HETATM 27 C3 HMW A 3 26.812 41.136 41.287 1.00 0.00 C +HETATM 28 O1 HMW A 3 25.719 40.787 40.468 1.00 0.00 O +HETATM 29 H1 HMW A 3 26.621 43.970 41.191 1.00 0.00 H +HETATM 30 H2 HMW A 3 27.268 44.215 39.582 1.00 0.00 H +HETATM 31 H3 HMW A 3 25.823 43.382 39.714 1.00 0.00 H +HETATM 32 H4 HMW A 3 27.885 41.741 39.500 1.00 0.00 H +HETATM 33 H5 HMW A 3 28.562 42.322 40.965 1.00 0.00 H +HETATM 34 H6 HMW A 3 26.517 41.617 42.219 1.00 0.00 H +HETATM 35 H7 HMW A 3 27.474 40.297 41.502 1.00 0.00 H +HETATM 36 H8 HMW A 3 25.972 40.646 39.530 1.00 0.00 H +HETATM 37 C1 HMW A 4 -4.701 3.766 34.669 1.00 0.00 C +HETATM 38 C2 HMW A 4 -5.250 2.501 35.361 1.00 0.00 C +HETATM 39 C3 HMW A 4 -5.512 1.340 34.401 1.00 0.00 C +HETATM 40 O1 HMW A 4 -6.700 1.581 33.661 1.00 0.00 O +HETATM 41 H1 HMW A 4 -4.655 4.585 35.387 1.00 0.00 H +HETATM 42 H2 HMW A 4 -3.673 3.632 34.330 1.00 0.00 H +HETATM 43 H3 HMW A 4 -5.333 4.023 33.819 1.00 0.00 H +HETATM 44 H4 HMW A 4 -4.672 2.030 36.157 1.00 0.00 H +HETATM 45 H5 HMW A 4 -6.194 2.820 35.803 1.00 0.00 H +HETATM 46 H6 HMW A 4 -5.529 0.373 34.903 1.00 0.00 H +HETATM 47 H7 HMW A 4 -4.740 1.327 33.631 1.00 0.00 H +HETATM 48 H8 HMW A 4 -7.453 1.772 34.261 1.00 0.00 H +HETATM 49 C1 HMW A 5 9.896 14.800 -7.479 1.00 0.00 C +HETATM 50 C2 HMW A 5 10.857 15.622 -6.500 1.00 0.00 C +HETATM 51 C3 HMW A 5 11.023 17.135 -6.882 1.00 0.00 C +HETATM 52 O1 HMW A 5 11.665 17.306 -8.205 1.00 0.00 O +HETATM 53 H1 HMW A 5 9.616 13.846 -7.031 1.00 0.00 H +HETATM 54 H2 HMW A 5 8.938 15.314 -7.560 1.00 0.00 H +HETATM 55 H3 HMW A 5 10.364 14.747 -8.462 1.00 0.00 H +HETATM 56 H4 HMW A 5 10.440 15.519 -5.498 1.00 0.00 H +HETATM 57 H5 HMW A 5 11.864 15.207 -6.542 1.00 0.00 H +HETATM 58 H6 HMW A 5 11.551 17.621 -6.062 1.00 0.00 H +HETATM 59 H7 HMW A 5 10.058 17.635 -6.969 1.00 0.00 H +HETATM 60 H8 HMW A 5 11.144 16.789 -8.855 1.00 0.00 H +HETATM 61 C1 HMW A 6 19.373 15.376 31.025 1.00 0.00 C +HETATM 62 C2 HMW A 6 18.309 16.474 30.759 1.00 0.00 C +HETATM 63 C3 HMW A 6 18.113 16.816 29.230 1.00 0.00 C +HETATM 64 O1 HMW A 6 16.923 17.628 29.048 1.00 0.00 O +HETATM 65 H1 HMW A 6 18.855 14.417 31.031 1.00 0.00 H +HETATM 66 H2 HMW A 6 20.144 15.319 30.256 1.00 0.00 H +HETATM 67 H3 HMW A 6 19.755 15.507 32.038 1.00 0.00 H +HETATM 68 H4 HMW A 6 17.363 16.121 31.170 1.00 0.00 H +HETATM 69 H5 HMW A 6 18.648 17.353 31.308 1.00 0.00 H +HETATM 70 H6 HMW A 6 18.020 15.918 28.618 1.00 0.00 H +HETATM 71 H7 HMW A 6 19.005 17.355 28.911 1.00 0.00 H +HETATM 72 H8 HMW A 6 16.977 18.563 29.341 1.00 0.00 H +HETATM 73 C1 HMW A 7 19.249 12.128 23.826 1.00 0.00 C +HETATM 74 C2 HMW A 7 19.864 13.417 24.449 1.00 0.00 C +HETATM 75 C3 HMW A 7 19.225 13.852 25.813 1.00 0.00 C +HETATM 76 O1 HMW A 7 17.812 13.837 25.773 1.00 0.00 O +HETATM 77 H1 HMW A 7 19.714 11.951 22.856 1.00 0.00 H +HETATM 78 H2 HMW A 7 19.317 11.300 24.532 1.00 0.00 H +HETATM 79 H3 HMW A 7 18.188 12.327 23.676 1.00 0.00 H +HETATM 80 H4 HMW A 7 20.952 13.365 24.492 1.00 0.00 H +HETATM 81 H5 HMW A 7 19.722 14.239 23.746 1.00 0.00 H +HETATM 82 H6 HMW A 7 19.567 14.847 26.099 1.00 0.00 H +HETATM 83 H7 HMW A 7 19.481 13.202 26.650 1.00 0.00 H +HETATM 84 H8 HMW A 7 17.420 14.192 24.947 1.00 0.00 H +HETATM 85 C1 HMW A 8 -3.824 11.340 23.120 1.00 0.00 C +HETATM 86 C2 HMW A 8 -2.926 12.404 22.457 1.00 0.00 C +HETATM 87 C3 HMW A 8 -3.771 13.167 21.384 1.00 0.00 C +HETATM 88 O1 HMW A 8 -4.344 12.289 20.412 1.00 0.00 O +HETATM 89 H1 HMW A 8 -4.254 10.794 22.280 1.00 0.00 H +HETATM 90 H2 HMW A 8 -3.215 10.674 23.731 1.00 0.00 H +HETATM 91 H3 HMW A 8 -4.637 11.773 23.702 1.00 0.00 H +HETATM 92 H4 HMW A 8 -2.380 13.047 23.147 1.00 0.00 H +HETATM 93 H5 HMW A 8 -2.212 11.813 21.882 1.00 0.00 H +HETATM 94 H6 HMW A 8 -3.101 13.843 20.852 1.00 0.00 H +HETATM 95 H7 HMW A 8 -4.546 13.789 21.832 1.00 0.00 H +HETATM 96 H8 HMW A 8 -3.626 11.948 19.837 1.00 0.00 H +HETATM 97 C1 HMW A 9 2.428 28.564 41.431 1.00 0.00 C +HETATM 98 C2 HMW A 9 3.543 27.420 41.312 1.00 0.00 C +HETATM 99 C3 HMW A 9 2.885 26.195 40.585 1.00 0.00 C +HETATM 100 O1 HMW A 9 1.800 25.677 41.341 1.00 0.00 O +HETATM 101 H1 HMW A 9 1.795 28.547 40.543 1.00 0.00 H +HETATM 102 H2 HMW A 9 1.754 28.392 42.270 1.00 0.00 H +HETATM 103 H3 HMW A 9 2.853 29.551 41.616 1.00 0.00 H +HETATM 104 H4 HMW A 9 4.370 27.871 40.765 1.00 0.00 H +HETATM 105 H5 HMW A 9 3.845 27.098 42.308 1.00 0.00 H +HETATM 106 H6 HMW A 9 3.574 25.365 40.427 1.00 0.00 H +HETATM 107 H7 HMW A 9 2.625 26.507 39.574 1.00 0.00 H +HETATM 108 H8 HMW A 9 1.138 25.133 40.864 1.00 0.00 H +HETATM 109 C1 HMW A 10 28.010 5.435 16.779 1.00 0.00 C +HETATM 110 C2 HMW A 10 29.518 5.892 16.622 1.00 0.00 C +HETATM 111 C3 HMW A 10 29.992 6.695 17.734 1.00 0.00 C +HETATM 112 O1 HMW A 10 29.357 7.994 17.703 1.00 0.00 O +HETATM 113 H1 HMW A 10 27.347 6.300 16.810 1.00 0.00 H +HETATM 114 H2 HMW A 10 27.682 4.715 16.029 1.00 0.00 H +HETATM 115 H3 HMW A 10 27.974 4.847 17.696 1.00 0.00 H +HETATM 116 H4 HMW A 10 30.101 4.976 16.521 1.00 0.00 H +HETATM 117 H5 HMW A 10 29.665 6.396 15.666 1.00 0.00 H +HETATM 118 H6 HMW A 10 31.046 6.947 17.616 1.00 0.00 H +HETATM 119 H7 HMW A 10 29.777 6.162 18.659 1.00 0.00 H +HETATM 120 H8 HMW A 10 29.590 8.512 18.503 1.00 0.00 H +HETATM 121 C1 HMW A 11 40.395 9.506 36.661 1.00 0.00 C +HETATM 122 C2 HMW A 11 40.333 10.979 36.448 1.00 0.00 C +HETATM 123 C3 HMW A 11 39.037 11.686 36.954 1.00 0.00 C +HETATM 124 O1 HMW A 11 37.862 11.041 36.556 1.00 0.00 O +HETATM 125 H1 HMW A 11 39.583 9.108 36.053 1.00 0.00 H +HETATM 126 H2 HMW A 11 41.369 9.159 36.314 1.00 0.00 H +HETATM 127 H3 HMW A 11 40.223 9.357 37.727 1.00 0.00 H +HETATM 128 H4 HMW A 11 41.216 11.426 36.904 1.00 0.00 H +HETATM 129 H5 HMW A 11 40.446 11.244 35.397 1.00 0.00 H +HETATM 130 H6 HMW A 11 39.024 12.669 36.484 1.00 0.00 H +HETATM 131 H7 HMW A 11 39.136 11.808 38.033 1.00 0.00 H +HETATM 132 H8 HMW A 11 37.908 10.591 35.685 1.00 0.00 H +HETATM 133 C1 HMW A 12 2.661 15.993 25.890 1.00 0.00 C +HETATM 134 C2 HMW A 12 2.376 17.281 26.627 1.00 0.00 C +HETATM 135 C3 HMW A 12 3.500 18.319 26.286 1.00 0.00 C +HETATM 136 O1 HMW A 12 3.145 19.538 26.856 1.00 0.00 O +HETATM 137 H1 HMW A 12 2.599 16.208 24.823 1.00 0.00 H +HETATM 138 H2 HMW A 12 3.739 15.888 26.014 1.00 0.00 H +HETATM 139 H3 HMW A 12 2.040 15.184 26.275 1.00 0.00 H +HETATM 140 H4 HMW A 12 1.398 17.635 26.299 1.00 0.00 H +HETATM 141 H5 HMW A 12 2.364 17.085 27.700 1.00 0.00 H +HETATM 142 H6 HMW A 12 3.460 18.492 25.211 1.00 0.00 H +HETATM 143 H7 HMW A 12 4.488 18.073 26.675 1.00 0.00 H +HETATM 144 H8 HMW A 12 3.154 19.502 27.836 1.00 0.00 H +HETATM 145 C1 HMW A 13 27.224 14.056 3.021 1.00 0.00 C +HETATM 146 C2 HMW A 13 28.466 13.421 3.701 1.00 0.00 C +HETATM 147 C3 HMW A 13 28.207 11.911 4.047 1.00 0.00 C +HETATM 148 O1 HMW A 13 27.092 11.704 4.839 1.00 0.00 O +HETATM 149 H1 HMW A 13 26.375 14.107 3.702 1.00 0.00 H +HETATM 150 H2 HMW A 13 27.427 15.073 2.685 1.00 0.00 H +HETATM 151 H3 HMW A 13 26.819 13.506 2.171 1.00 0.00 H +HETATM 152 H4 HMW A 13 29.390 13.459 3.123 1.00 0.00 H +HETATM 153 H5 HMW A 13 28.711 13.880 4.660 1.00 0.00 H +HETATM 154 H6 HMW A 13 29.094 11.449 4.482 1.00 0.00 H +HETATM 155 H7 HMW A 13 28.069 11.395 3.098 1.00 0.00 H +HETATM 156 H8 HMW A 13 26.275 11.868 4.321 1.00 0.00 H +HETATM 157 C1 HMW A 14 -3.976 11.198 9.248 1.00 0.00 C +HETATM 158 C2 HMW A 14 -3.021 10.278 9.994 1.00 0.00 C +HETATM 159 C3 HMW A 14 -1.685 10.854 10.570 1.00 0.00 C +HETATM 160 O1 HMW A 14 -1.133 11.664 9.557 1.00 0.00 O +HETATM 161 H1 HMW A 14 -4.943 10.733 9.051 1.00 0.00 H +HETATM 162 H2 HMW A 14 -4.243 12.071 9.844 1.00 0.00 H +HETATM 163 H3 HMW A 14 -3.549 11.497 8.291 1.00 0.00 H +HETATM 164 H4 HMW A 14 -3.587 9.866 10.830 1.00 0.00 H +HETATM 165 H5 HMW A 14 -2.833 9.375 9.411 1.00 0.00 H +HETATM 166 H6 HMW A 14 -0.893 10.156 10.844 1.00 0.00 H +HETATM 167 H7 HMW A 14 -1.919 11.604 11.325 1.00 0.00 H +HETATM 168 H8 HMW A 14 -0.765 11.191 8.781 1.00 0.00 H +HETATM 169 C1 HMW A 15 29.654 10.321 8.702 1.00 0.00 C +HETATM 170 C2 HMW A 15 29.080 9.413 7.658 1.00 0.00 C +HETATM 171 C3 HMW A 15 27.471 9.269 7.507 1.00 0.00 C +HETATM 172 O1 HMW A 15 26.873 10.543 7.286 1.00 0.00 O +HETATM 173 H1 HMW A 15 29.432 11.339 8.380 1.00 0.00 H +HETATM 174 H2 HMW A 15 29.156 10.239 9.667 1.00 0.00 H +HETATM 175 H3 HMW A 15 30.745 10.332 8.707 1.00 0.00 H +HETATM 176 H4 HMW A 15 29.451 9.681 6.669 1.00 0.00 H +HETATM 177 H5 HMW A 15 29.516 8.427 7.819 1.00 0.00 H +HETATM 178 H6 HMW A 15 27.033 8.671 8.306 1.00 0.00 H +HETATM 179 H7 HMW A 15 27.392 8.603 6.648 1.00 0.00 H +HETATM 180 H8 HMW A 15 27.127 10.861 6.393 1.00 0.00 H +HETATM 181 C1 HMW A 16 14.045 6.943 25.653 1.00 0.00 C +HETATM 182 C2 HMW A 16 12.702 6.447 26.226 1.00 0.00 C +HETATM 183 C3 HMW A 16 12.613 6.707 27.725 1.00 0.00 C +HETATM 184 O1 HMW A 16 12.765 8.110 28.188 1.00 0.00 O +HETATM 185 H1 HMW A 16 14.809 6.333 26.134 1.00 0.00 H +HETATM 186 H2 HMW A 16 14.116 6.698 24.593 1.00 0.00 H +HETATM 187 H3 HMW A 16 14.086 8.017 25.839 1.00 0.00 H +HETATM 188 H4 HMW A 16 11.826 6.886 25.749 1.00 0.00 H +HETATM 189 H5 HMW A 16 12.664 5.366 26.094 1.00 0.00 H +HETATM 190 H6 HMW A 16 13.352 6.105 28.255 1.00 0.00 H +HETATM 191 H7 HMW A 16 11.633 6.381 28.073 1.00 0.00 H +HETATM 192 H8 HMW A 16 13.686 8.436 28.097 1.00 0.00 H +HETATM 193 C1 HMW A 17 30.947 -13.720 13.888 1.00 0.00 C +HETATM 194 C2 HMW A 17 32.034 -14.742 14.295 1.00 0.00 C +HETATM 195 C3 HMW A 17 32.170 -14.792 15.778 1.00 0.00 C +HETATM 196 O1 HMW A 17 31.115 -15.459 16.365 1.00 0.00 O +HETATM 197 H1 HMW A 17 31.283 -12.756 14.272 1.00 0.00 H +HETATM 198 H2 HMW A 17 30.779 -13.560 12.823 1.00 0.00 H +HETATM 199 H3 HMW A 17 30.004 -13.930 14.393 1.00 0.00 H +HETATM 200 H4 HMW A 17 31.852 -15.762 13.957 1.00 0.00 H +HETATM 201 H5 HMW A 17 32.974 -14.441 13.832 1.00 0.00 H +HETATM 202 H6 HMW A 17 32.275 -13.786 16.184 1.00 0.00 H +HETATM 203 H7 HMW A 17 33.135 -15.251 15.993 1.00 0.00 H +HETATM 204 H8 HMW A 17 30.915 -16.270 15.850 1.00 0.00 H +HETATM 205 C1 HMW A 18 11.745 -19.976 40.707 1.00 0.00 C +HETATM 206 C2 HMW A 18 10.803 -19.529 41.831 1.00 0.00 C +HETATM 207 C3 HMW A 18 9.343 -19.710 41.410 1.00 0.00 C +HETATM 208 O1 HMW A 18 8.508 -19.275 42.436 1.00 0.00 O +HETATM 209 H1 HMW A 18 12.770 -20.076 41.065 1.00 0.00 H +HETATM 210 H2 HMW A 18 11.429 -20.879 40.186 1.00 0.00 H +HETATM 211 H3 HMW A 18 11.776 -19.198 39.944 1.00 0.00 H +HETATM 212 H4 HMW A 18 11.029 -20.175 42.679 1.00 0.00 H +HETATM 213 H5 HMW A 18 11.039 -18.531 42.202 1.00 0.00 H +HETATM 214 H6 HMW A 18 9.199 -20.782 41.274 1.00 0.00 H +HETATM 215 H7 HMW A 18 9.131 -19.298 40.423 1.00 0.00 H +HETATM 216 H8 HMW A 18 8.939 -18.530 42.906 1.00 0.00 H +HETATM 217 C1 HMW A 19 31.475 42.899 -18.837 1.00 0.00 C +HETATM 218 C2 HMW A 19 30.853 42.346 -17.510 1.00 0.00 C +HETATM 219 C3 HMW A 19 30.212 43.424 -16.532 1.00 0.00 C +HETATM 220 O1 HMW A 19 29.308 44.150 -17.291 1.00 0.00 O +HETATM 221 H1 HMW A 19 31.728 42.131 -19.567 1.00 0.00 H +HETATM 222 H2 HMW A 19 30.828 43.634 -19.317 1.00 0.00 H +HETATM 223 H3 HMW A 19 32.391 43.467 -18.671 1.00 0.00 H +HETATM 224 H4 HMW A 19 30.107 41.602 -17.790 1.00 0.00 H +HETATM 225 H5 HMW A 19 31.644 41.816 -16.979 1.00 0.00 H +HETATM 226 H6 HMW A 19 30.969 44.100 -16.133 1.00 0.00 H +HETATM 227 H7 HMW A 19 29.745 42.879 -15.712 1.00 0.00 H +HETATM 228 H8 HMW A 19 29.056 44.991 -16.854 1.00 0.00 H +HETATM 229 C1 HMW A 20 18.517 -13.818 -10.967 1.00 0.00 C +HETATM 230 C2 HMW A 20 19.496 -13.366 -12.052 1.00 0.00 C +HETATM 231 C3 HMW A 20 18.812 -12.834 -13.300 1.00 0.00 C +HETATM 232 O1 HMW A 20 18.559 -13.938 -14.242 1.00 0.00 O +HETATM 233 H1 HMW A 20 17.996 -14.731 -11.255 1.00 0.00 H +HETATM 234 H2 HMW A 20 18.942 -13.975 -9.976 1.00 0.00 H +HETATM 235 H3 HMW A 20 17.773 -13.030 -10.849 1.00 0.00 H +HETATM 236 H4 HMW A 20 19.997 -12.488 -11.644 1.00 0.00 H +HETATM 237 H5 HMW A 20 20.379 -13.997 -12.161 1.00 0.00 H +HETATM 238 H6 HMW A 20 19.533 -12.178 -13.787 1.00 0.00 H +HETATM 239 H7 HMW A 20 17.888 -12.287 -13.110 1.00 0.00 H +HETATM 240 H8 HMW A 20 17.975 -14.657 -13.919 1.00 0.00 H +HETATM 241 C1 HMW A 21 3.454 30.173 -7.052 1.00 0.00 C +HETATM 242 C2 HMW A 21 4.336 30.340 -8.323 1.00 0.00 C +HETATM 243 C3 HMW A 21 5.153 29.030 -8.693 1.00 0.00 C +HETATM 244 O1 HMW A 21 6.327 29.004 -7.901 1.00 0.00 O +HETATM 245 H1 HMW A 21 2.773 29.326 -7.142 1.00 0.00 H +HETATM 246 H2 HMW A 21 4.123 30.134 -6.192 1.00 0.00 H +HETATM 247 H3 HMW A 21 2.872 31.087 -6.938 1.00 0.00 H +HETATM 248 H4 HMW A 21 3.628 30.552 -9.124 1.00 0.00 H +HETATM 249 H5 HMW A 21 4.922 31.253 -8.215 1.00 0.00 H +HETATM 250 H6 HMW A 21 5.366 29.134 -9.757 1.00 0.00 H +HETATM 251 H7 HMW A 21 4.638 28.071 -8.631 1.00 0.00 H +HETATM 252 H8 HMW A 21 6.904 29.766 -8.120 1.00 0.00 H +HETATM 253 C1 HMW A 22 9.236 -6.405 44.065 1.00 0.00 C +HETATM 254 C2 HMW A 22 9.405 -7.935 44.310 1.00 0.00 C +HETATM 255 C3 HMW A 22 8.154 -8.751 44.693 1.00 0.00 C +HETATM 256 O1 HMW A 22 8.431 -10.192 44.710 1.00 0.00 O +HETATM 257 H1 HMW A 22 8.915 -5.904 44.979 1.00 0.00 H +HETATM 258 H2 HMW A 22 10.206 -5.959 43.849 1.00 0.00 H +HETATM 259 H3 HMW A 22 8.496 -6.280 43.274 1.00 0.00 H +HETATM 260 H4 HMW A 22 9.715 -8.367 43.359 1.00 0.00 H +HETATM 261 H5 HMW A 22 10.155 -7.982 45.099 1.00 0.00 H +HETATM 262 H6 HMW A 22 7.404 -8.555 43.927 1.00 0.00 H +HETATM 263 H7 HMW A 22 7.815 -8.420 45.675 1.00 0.00 H +HETATM 264 H8 HMW A 22 8.546 -10.604 43.827 1.00 0.00 H +HETATM 265 C1 HMW A 23 -4.885 -43.913 41.209 1.00 0.00 C +HETATM 266 C2 HMW A 23 -3.927 -43.832 42.392 1.00 0.00 C +HETATM 267 C3 HMW A 23 -4.679 -43.665 43.683 1.00 0.00 C +HETATM 268 O1 HMW A 23 -5.645 -44.764 43.941 1.00 0.00 O +HETATM 269 H1 HMW A 23 -5.545 -44.763 41.385 1.00 0.00 H +HETATM 270 H2 HMW A 23 -5.381 -42.949 41.094 1.00 0.00 H +HETATM 271 H3 HMW A 23 -4.334 -44.090 40.285 1.00 0.00 H +HETATM 272 H4 HMW A 23 -3.217 -44.654 42.489 1.00 0.00 H +HETATM 273 H5 HMW A 23 -3.321 -42.938 42.243 1.00 0.00 H +HETATM 274 H6 HMW A 23 -5.180 -42.698 43.736 1.00 0.00 H +HETATM 275 H7 HMW A 23 -3.981 -43.645 44.520 1.00 0.00 H +HETATM 276 H8 HMW A 23 -5.230 -45.652 43.977 1.00 0.00 H +HETATM 277 C1 HMW A 24 14.675 -7.882 -22.421 1.00 0.00 C +HETATM 278 C2 HMW A 24 15.319 -6.544 -22.374 1.00 0.00 C +HETATM 279 C3 HMW A 24 16.668 -6.631 -23.065 1.00 0.00 C +HETATM 280 O1 HMW A 24 16.406 -6.671 -24.478 1.00 0.00 O +HETATM 281 H1 HMW A 24 15.351 -8.736 -22.385 1.00 0.00 H +HETATM 282 H2 HMW A 24 13.825 -7.970 -21.744 1.00 0.00 H +HETATM 283 H3 HMW A 24 14.289 -7.903 -23.441 1.00 0.00 H +HETATM 284 H4 HMW A 24 14.705 -5.715 -22.727 1.00 0.00 H +HETATM 285 H5 HMW A 24 15.536 -6.274 -21.341 1.00 0.00 H +HETATM 286 H6 HMW A 24 17.217 -7.496 -22.691 1.00 0.00 H +HETATM 287 H7 HMW A 24 17.214 -5.701 -22.904 1.00 0.00 H +HETATM 288 H8 HMW A 24 16.626 -5.827 -24.926 1.00 0.00 H +HETATM 289 C1 HMW A 25 -1.347 29.453 18.918 1.00 0.00 C +HETATM 290 C2 HMW A 25 -2.649 30.116 18.342 1.00 0.00 C +HETATM 291 C3 HMW A 25 -2.263 30.861 17.062 1.00 0.00 C +HETATM 292 O1 HMW A 25 -3.452 31.172 16.403 1.00 0.00 O +HETATM 293 H1 HMW A 25 -0.547 30.193 18.934 1.00 0.00 H +HETATM 294 H2 HMW A 25 -1.560 29.082 19.921 1.00 0.00 H +HETATM 295 H3 HMW A 25 -1.006 28.696 18.212 1.00 0.00 H +HETATM 296 H4 HMW A 25 -3.344 29.316 18.089 1.00 0.00 H +HETATM 297 H5 HMW A 25 -3.275 30.727 18.993 1.00 0.00 H +HETATM 298 H6 HMW A 25 -1.679 30.118 16.520 1.00 0.00 H +HETATM 299 H7 HMW A 25 -1.625 31.714 17.295 1.00 0.00 H +HETATM 300 H8 HMW A 25 -4.149 30.494 16.534 1.00 0.00 H +HETATM 301 C1 HMW A 26 24.957 21.105 2.369 1.00 0.00 C +HETATM 302 C2 HMW A 26 25.665 20.674 3.663 1.00 0.00 C +HETATM 303 C3 HMW A 26 26.165 21.950 4.395 1.00 0.00 C +HETATM 304 O1 HMW A 26 27.070 22.678 3.694 1.00 0.00 O +HETATM 305 H1 HMW A 26 24.046 21.636 2.646 1.00 0.00 H +HETATM 306 H2 HMW A 26 25.604 21.666 1.694 1.00 0.00 H +HETATM 307 H3 HMW A 26 24.603 20.284 1.745 1.00 0.00 H +HETATM 308 H4 HMW A 26 25.071 20.006 4.287 1.00 0.00 H +HETATM 309 H5 HMW A 26 26.562 20.197 3.270 1.00 0.00 H +HETATM 310 H6 HMW A 26 26.501 21.622 5.380 1.00 0.00 H +HETATM 311 H7 HMW A 26 25.319 22.586 4.653 1.00 0.00 H +HETATM 312 H8 HMW A 26 26.621 23.225 3.014 1.00 0.00 H +HETATM 313 C1 HMW A 27 31.925 6.684 6.125 1.00 0.00 C +HETATM 314 C2 HMW A 27 31.369 5.186 6.064 1.00 0.00 C +HETATM 315 C3 HMW A 27 31.799 4.424 7.349 1.00 0.00 C +HETATM 316 O1 HMW A 27 33.272 4.600 7.567 1.00 0.00 O +HETATM 317 H1 HMW A 27 31.599 7.230 7.010 1.00 0.00 H +HETATM 318 H2 HMW A 27 33.013 6.640 6.193 1.00 0.00 H +HETATM 319 H3 HMW A 27 31.543 7.134 5.209 1.00 0.00 H +HETATM 320 H4 HMW A 27 30.287 5.303 6.012 1.00 0.00 H +HETATM 321 H5 HMW A 27 31.747 4.586 5.236 1.00 0.00 H +HETATM 322 H6 HMW A 27 31.629 3.355 7.225 1.00 0.00 H +HETATM 323 H7 HMW A 27 31.212 4.797 8.188 1.00 0.00 H +HETATM 324 H8 HMW A 27 33.745 4.416 6.727 1.00 0.00 H +HETATM 325 C1 HMW A 28 4.556 15.362 29.092 1.00 0.00 C +HETATM 326 C2 HMW A 28 6.000 14.788 29.410 1.00 0.00 C +HETATM 327 C3 HMW A 28 6.762 14.632 28.147 1.00 0.00 C +HETATM 328 O1 HMW A 28 7.852 13.816 28.589 1.00 0.00 O +HETATM 329 H1 HMW A 28 3.986 14.870 28.304 1.00 0.00 H +HETATM 330 H2 HMW A 28 3.923 15.468 29.974 1.00 0.00 H +HETATM 331 H3 HMW A 28 4.753 16.364 28.712 1.00 0.00 H +HETATM 332 H4 HMW A 28 6.675 15.353 30.053 1.00 0.00 H +HETATM 333 H5 HMW A 28 5.893 13.811 29.881 1.00 0.00 H +HETATM 334 H6 HMW A 28 7.084 15.546 27.647 1.00 0.00 H +HETATM 335 H7 HMW A 28 6.152 14.048 27.458 1.00 0.00 H +HETATM 336 H8 HMW A 28 8.325 14.278 29.314 1.00 0.00 H +HETATM 337 C1 HMW A 29 36.108 22.707 24.220 1.00 0.00 C +HETATM 338 C2 HMW A 29 35.359 23.548 25.303 1.00 0.00 C +HETATM 339 C3 HMW A 29 36.097 23.340 26.716 1.00 0.00 C +HETATM 340 O1 HMW A 29 36.309 21.939 27.031 1.00 0.00 O +HETATM 341 H1 HMW A 29 35.906 21.660 24.446 1.00 0.00 H +HETATM 342 H2 HMW A 29 35.670 22.918 23.244 1.00 0.00 H +HETATM 343 H3 HMW A 29 37.176 22.924 24.211 1.00 0.00 H +HETATM 344 H4 HMW A 29 35.589 24.580 25.038 1.00 0.00 H +HETATM 345 H5 HMW A 29 34.299 23.303 25.374 1.00 0.00 H +HETATM 346 H6 HMW A 29 35.480 23.762 27.509 1.00 0.00 H +HETATM 347 H7 HMW A 29 37.058 23.851 26.771 1.00 0.00 H +HETATM 348 H8 HMW A 29 35.534 21.370 26.837 1.00 0.00 H +HETATM 349 C1 HMW A 30 10.109 6.422 8.823 1.00 0.00 C +HETATM 350 C2 HMW A 30 9.318 7.552 8.021 1.00 0.00 C +HETATM 351 C3 HMW A 30 7.787 7.503 8.150 1.00 0.00 C +HETATM 352 O1 HMW A 30 7.468 7.458 9.507 1.00 0.00 O +HETATM 353 H1 HMW A 30 9.586 5.467 8.765 1.00 0.00 H +HETATM 354 H2 HMW A 30 11.131 6.270 8.477 1.00 0.00 H +HETATM 355 H3 HMW A 30 10.230 6.697 9.871 1.00 0.00 H +HETATM 356 H4 HMW A 30 9.640 8.533 8.370 1.00 0.00 H +HETATM 357 H5 HMW A 30 9.533 7.408 6.962 1.00 0.00 H +HETATM 358 H6 HMW A 30 7.419 6.568 7.727 1.00 0.00 H +HETATM 359 H7 HMW A 30 7.301 8.302 7.589 1.00 0.00 H +HETATM 360 H8 HMW A 30 7.736 8.263 10.001 1.00 0.00 H +HETATM 361 C1 HMW A 31 -9.751 16.325 10.956 1.00 0.00 C +HETATM 362 C2 HMW A 31 -11.075 16.517 11.703 1.00 0.00 C +HETATM 363 C3 HMW A 31 -11.743 17.887 11.637 1.00 0.00 C +HETATM 364 O1 HMW A 31 -10.997 18.924 12.218 1.00 0.00 O +HETATM 365 H1 HMW A 31 -9.279 15.353 11.100 1.00 0.00 H +HETATM 366 H2 HMW A 31 -9.903 16.382 9.878 1.00 0.00 H +HETATM 367 H3 HMW A 31 -8.958 17.049 11.144 1.00 0.00 H +HETATM 368 H4 HMW A 31 -11.740 15.689 11.457 1.00 0.00 H +HETATM 369 H5 HMW A 31 -10.825 16.323 12.747 1.00 0.00 H +HETATM 370 H6 HMW A 31 -12.769 17.888 12.005 1.00 0.00 H +HETATM 371 H7 HMW A 31 -11.860 18.086 10.571 1.00 0.00 H +HETATM 372 H8 HMW A 31 -11.309 19.810 11.932 1.00 0.00 H +HETATM 373 C1 HMW A 32 57.741 53.766 21.226 1.00 0.00 C +HETATM 374 C2 HMW A 32 56.475 54.106 21.965 1.00 0.00 C +HETATM 375 C3 HMW A 32 55.397 53.013 21.632 1.00 0.00 C +HETATM 376 O1 HMW A 32 55.871 51.760 22.103 1.00 0.00 O +HETATM 377 H1 HMW A 32 58.092 52.758 21.448 1.00 0.00 H +HETATM 378 H2 HMW A 32 57.506 53.840 20.164 1.00 0.00 H +HETATM 379 H3 HMW A 32 58.568 54.450 21.419 1.00 0.00 H +HETATM 380 H4 HMW A 32 56.613 54.115 23.046 1.00 0.00 H +HETATM 381 H5 HMW A 32 56.137 55.083 21.618 1.00 0.00 H +HETATM 382 H6 HMW A 32 55.263 52.917 20.554 1.00 0.00 H +HETATM 383 H7 HMW A 32 54.423 53.207 22.082 1.00 0.00 H +HETATM 384 H8 HMW A 32 55.222 51.028 22.028 1.00 0.00 H +HETATM 385 C1 HMW A 33 11.228 18.484 8.239 1.00 0.00 C +HETATM 386 C2 HMW A 33 12.436 18.751 9.206 1.00 0.00 C +HETATM 387 C3 HMW A 33 12.173 20.046 10.084 1.00 0.00 C +HETATM 388 O1 HMW A 33 13.379 20.722 10.388 1.00 0.00 O +HETATM 389 H1 HMW A 33 10.308 18.335 8.805 1.00 0.00 H +HETATM 390 H2 HMW A 33 11.043 19.362 7.620 1.00 0.00 H +HETATM 391 H3 HMW A 33 11.339 17.580 7.642 1.00 0.00 H +HETATM 392 H4 HMW A 33 12.645 17.910 9.867 1.00 0.00 H +HETATM 393 H5 HMW A 33 13.338 18.944 8.625 1.00 0.00 H +HETATM 394 H6 HMW A 33 11.621 19.860 11.005 1.00 0.00 H +HETATM 395 H7 HMW A 33 11.588 20.787 9.539 1.00 0.00 H +HETATM 396 H8 HMW A 33 13.704 21.199 9.594 1.00 0.00 H +HETATM 397 C1 HMW A 34 10.178 12.736 14.756 1.00 0.00 C +HETATM 398 C2 HMW A 34 8.686 12.791 14.623 1.00 0.00 C +HETATM 399 C3 HMW A 34 8.221 14.217 14.598 1.00 0.00 C +HETATM 400 O1 HMW A 34 8.628 14.989 15.775 1.00 0.00 O +HETATM 401 H1 HMW A 34 10.599 13.282 13.911 1.00 0.00 H +HETATM 402 H2 HMW A 34 10.556 13.149 15.691 1.00 0.00 H +HETATM 403 H3 HMW A 34 10.370 11.665 14.816 1.00 0.00 H +HETATM 404 H4 HMW A 34 8.437 12.423 13.627 1.00 0.00 H +HETATM 405 H5 HMW A 34 8.152 12.168 15.341 1.00 0.00 H +HETATM 406 H6 HMW A 34 7.136 14.249 14.499 1.00 0.00 H +HETATM 407 H7 HMW A 34 8.568 14.621 13.646 1.00 0.00 H +HETATM 408 H8 HMW A 34 8.261 14.659 16.623 1.00 0.00 H +HETATM 409 C1 HMW A 35 24.475 34.280 19.921 1.00 0.00 C +HETATM 410 C2 HMW A 35 25.126 35.400 19.047 1.00 0.00 C +HETATM 411 C3 HMW A 35 26.441 35.886 19.669 1.00 0.00 C +HETATM 412 O1 HMW A 35 27.450 34.915 19.466 1.00 0.00 O +HETATM 413 H1 HMW A 35 23.512 33.920 19.557 1.00 0.00 H +HETATM 414 H2 HMW A 35 25.153 33.465 20.178 1.00 0.00 H +HETATM 415 H3 HMW A 35 24.154 34.750 20.850 1.00 0.00 H +HETATM 416 H4 HMW A 35 25.332 35.110 18.016 1.00 0.00 H +HETATM 417 H5 HMW A 35 24.403 36.216 19.082 1.00 0.00 H +HETATM 418 H6 HMW A 35 26.323 36.146 20.721 1.00 0.00 H +HETATM 419 H7 HMW A 35 26.684 36.781 19.096 1.00 0.00 H +HETATM 420 H8 HMW A 35 27.649 34.760 18.518 1.00 0.00 H +HETATM 421 C1 HMW A 36 5.428 -11.873 22.015 1.00 0.00 C +HETATM 422 C2 HMW A 36 6.069 -11.759 20.625 1.00 0.00 C +HETATM 423 C3 HMW A 36 4.906 -11.272 19.748 1.00 0.00 C +HETATM 424 O1 HMW A 36 3.808 -12.190 19.598 1.00 0.00 O +HETATM 425 H1 HMW A 36 6.189 -12.225 22.711 1.00 0.00 H +HETATM 426 H2 HMW A 36 4.961 -10.933 22.308 1.00 0.00 H +HETATM 427 H3 HMW A 36 4.672 -12.659 22.009 1.00 0.00 H +HETATM 428 H4 HMW A 36 6.819 -10.968 20.622 1.00 0.00 H +HETATM 429 H5 HMW A 36 6.417 -12.735 20.286 1.00 0.00 H +HETATM 430 H6 HMW A 36 5.308 -11.085 18.752 1.00 0.00 H +HETATM 431 H7 HMW A 36 4.575 -10.317 20.156 1.00 0.00 H +HETATM 432 H8 HMW A 36 3.075 -11.910 19.009 1.00 0.00 H +HETATM 433 C1 HMW A 37 -5.240 7.791 34.061 1.00 0.00 C +HETATM 434 C2 HMW A 37 -3.922 8.175 33.465 1.00 0.00 C +HETATM 435 C3 HMW A 37 -3.474 7.152 32.350 1.00 0.00 C +HETATM 436 O1 HMW A 37 -4.321 7.138 31.187 1.00 0.00 O +HETATM 437 H1 HMW A 37 -5.095 6.863 34.615 1.00 0.00 H +HETATM 438 H2 HMW A 37 -5.688 8.623 34.604 1.00 0.00 H +HETATM 439 H3 HMW A 37 -5.990 7.620 33.289 1.00 0.00 H +HETATM 440 H4 HMW A 37 -3.970 9.131 32.943 1.00 0.00 H +HETATM 441 H5 HMW A 37 -3.184 8.281 34.261 1.00 0.00 H +HETATM 442 H6 HMW A 37 -3.573 6.127 32.708 1.00 0.00 H +HETATM 443 H7 HMW A 37 -2.426 7.210 32.054 1.00 0.00 H +HETATM 444 H8 HMW A 37 -5.096 6.538 31.232 1.00 0.00 H +HETATM 445 C1 HMW A 38 14.836 -12.977 34.500 1.00 0.00 C +HETATM 446 C2 HMW A 38 14.607 -13.496 33.079 1.00 0.00 C +HETATM 447 C3 HMW A 38 14.171 -12.438 31.996 1.00 0.00 C +HETATM 448 O1 HMW A 38 12.803 -12.294 32.104 1.00 0.00 O +HETATM 449 H1 HMW A 38 15.759 -12.398 34.481 1.00 0.00 H +HETATM 450 H2 HMW A 38 13.999 -12.407 34.902 1.00 0.00 H +HETATM 451 H3 HMW A 38 14.895 -13.775 35.241 1.00 0.00 H +HETATM 452 H4 HMW A 38 15.555 -13.965 32.816 1.00 0.00 H +HETATM 453 H5 HMW A 38 13.853 -14.279 33.165 1.00 0.00 H +HETATM 454 H6 HMW A 38 14.424 -12.832 31.011 1.00 0.00 H +HETATM 455 H7 HMW A 38 14.693 -11.482 32.000 1.00 0.00 H +HETATM 456 H8 HMW A 38 12.432 -11.758 31.371 1.00 0.00 H +HETATM 457 C1 HMW A 39 16.453 7.299 13.096 1.00 0.00 C +HETATM 458 C2 HMW A 39 17.447 7.356 14.202 1.00 0.00 C +HETATM 459 C3 HMW A 39 18.527 8.402 13.922 1.00 0.00 C +HETATM 460 O1 HMW A 39 19.398 8.039 12.858 1.00 0.00 O +HETATM 461 H1 HMW A 39 16.869 6.881 12.179 1.00 0.00 H +HETATM 462 H2 HMW A 39 15.599 6.669 13.345 1.00 0.00 H +HETATM 463 H3 HMW A 39 16.064 8.282 12.828 1.00 0.00 H +HETATM 464 H4 HMW A 39 17.008 7.685 15.144 1.00 0.00 H +HETATM 465 H5 HMW A 39 17.827 6.376 14.491 1.00 0.00 H +HETATM 466 H6 HMW A 39 19.048 8.437 14.879 1.00 0.00 H +HETATM 467 H7 HMW A 39 18.027 9.344 13.700 1.00 0.00 H +HETATM 468 H8 HMW A 39 20.016 8.797 12.780 1.00 0.00 H +HETATM 469 C1 HMW A 40 -11.511 12.336 18.893 1.00 0.00 C +HETATM 470 C2 HMW A 40 -11.610 13.787 18.658 1.00 0.00 C +HETATM 471 C3 HMW A 40 -12.810 14.187 17.736 1.00 0.00 C +HETATM 472 O1 HMW A 40 -12.714 15.555 17.457 1.00 0.00 O +HETATM 473 H1 HMW A 40 -11.485 11.939 17.878 1.00 0.00 H +HETATM 474 H2 HMW A 40 -10.534 12.089 19.309 1.00 0.00 H +HETATM 475 H3 HMW A 40 -12.382 11.883 19.366 1.00 0.00 H +HETATM 476 H4 HMW A 40 -11.701 14.428 19.535 1.00 0.00 H +HETATM 477 H5 HMW A 40 -10.759 14.191 18.110 1.00 0.00 H +HETATM 478 H6 HMW A 40 -13.752 13.951 18.231 1.00 0.00 H +HETATM 479 H7 HMW A 40 -12.737 13.666 16.781 1.00 0.00 H +HETATM 480 H8 HMW A 40 -13.480 15.932 16.974 1.00 0.00 H +HETATM 481 C1 HMW A 41 50.206 6.092 38.183 1.00 0.00 C +HETATM 482 C2 HMW A 41 50.341 7.235 39.235 1.00 0.00 C +HETATM 483 C3 HMW A 41 50.175 6.671 40.693 1.00 0.00 C +HETATM 484 O1 HMW A 41 51.233 5.691 40.912 1.00 0.00 O +HETATM 485 H1 HMW A 41 49.190 5.697 38.212 1.00 0.00 H +HETATM 486 H2 HMW A 41 50.306 6.518 37.185 1.00 0.00 H +HETATM 487 H3 HMW A 41 50.879 5.268 38.422 1.00 0.00 H +HETATM 488 H4 HMW A 41 51.335 7.680 39.188 1.00 0.00 H +HETATM 489 H5 HMW A 41 49.537 7.933 38.999 1.00 0.00 H +HETATM 490 H6 HMW A 41 49.204 6.177 40.706 1.00 0.00 H +HETATM 491 H7 HMW A 41 50.054 7.425 41.471 1.00 0.00 H +HETATM 492 H8 HMW A 41 51.267 5.413 41.853 1.00 0.00 H +HETATM 493 C1 HMW A 42 -6.497 -6.782 32.582 1.00 0.00 C +HETATM 494 C2 HMW A 42 -5.344 -5.842 32.427 1.00 0.00 C +HETATM 495 C3 HMW A 42 -5.699 -4.466 31.928 1.00 0.00 C +HETATM 496 O1 HMW A 42 -6.627 -3.937 32.872 1.00 0.00 O +HETATM 497 H1 HMW A 42 -7.036 -6.935 31.646 1.00 0.00 H +HETATM 498 H2 HMW A 42 -6.079 -7.692 33.012 1.00 0.00 H +HETATM 499 H3 HMW A 42 -7.208 -6.355 33.289 1.00 0.00 H +HETATM 500 H4 HMW A 42 -4.766 -5.874 33.350 1.00 0.00 H +HETATM 501 H5 HMW A 42 -4.705 -6.286 31.663 1.00 0.00 H +HETATM 502 H6 HMW A 42 -6.160 -4.544 30.942 1.00 0.00 H +HETATM 503 H7 HMW A 42 -4.827 -3.814 31.890 1.00 0.00 H +HETATM 504 H8 HMW A 42 -6.962 -3.025 32.732 1.00 0.00 H +HETATM 505 C1 HMW A 43 32.272 21.475 55.949 1.00 0.00 C +HETATM 506 C2 HMW A 43 31.519 22.705 56.321 1.00 0.00 C +HETATM 507 C3 HMW A 43 29.974 22.580 56.286 1.00 0.00 C +HETATM 508 O1 HMW A 43 29.551 21.949 57.480 1.00 0.00 O +HETATM 509 H1 HMW A 43 32.113 21.194 54.908 1.00 0.00 H +HETATM 510 H2 HMW A 43 33.322 21.582 56.222 1.00 0.00 H +HETATM 511 H3 HMW A 43 31.939 20.563 56.445 1.00 0.00 H +HETATM 512 H4 HMW A 43 31.798 22.892 57.358 1.00 0.00 H +HETATM 513 H5 HMW A 43 31.828 23.556 55.713 1.00 0.00 H +HETATM 514 H6 HMW A 43 29.609 22.125 55.365 1.00 0.00 H +HETATM 515 H7 HMW A 43 29.581 23.596 56.336 1.00 0.00 H +HETATM 516 H8 HMW A 43 28.610 22.155 57.667 1.00 0.00 H +HETATM 517 C1 HMW A 44 15.785 -18.948 32.949 1.00 0.00 C +HETATM 518 C2 HMW A 44 14.217 -19.051 32.727 1.00 0.00 C +HETATM 519 C3 HMW A 44 13.700 -17.707 32.290 1.00 0.00 C +HETATM 520 O1 HMW A 44 12.261 -17.548 32.124 1.00 0.00 O +HETATM 521 H1 HMW A 44 16.083 -17.998 33.392 1.00 0.00 H +HETATM 522 H2 HMW A 44 16.123 -19.680 33.684 1.00 0.00 H +HETATM 523 H3 HMW A 44 16.361 -19.134 32.043 1.00 0.00 H +HETATM 524 H4 HMW A 44 14.010 -19.950 32.146 1.00 0.00 H +HETATM 525 H5 HMW A 44 13.768 -19.219 33.706 1.00 0.00 H +HETATM 526 H6 HMW A 44 14.192 -17.371 31.378 1.00 0.00 H +HETATM 527 H7 HMW A 44 14.102 -16.996 33.012 1.00 0.00 H +HETATM 528 H8 HMW A 44 11.839 -17.273 32.966 1.00 0.00 H +HETATM 529 C1 HMW A 45 -4.559 -0.231 27.392 1.00 0.00 C +HETATM 530 C2 HMW A 45 -3.997 -1.625 27.684 1.00 0.00 C +HETATM 531 C3 HMW A 45 -2.757 -1.864 26.730 1.00 0.00 C +HETATM 532 O1 HMW A 45 -1.578 -1.120 27.100 1.00 0.00 O +HETATM 533 H1 HMW A 45 -3.695 0.362 27.095 1.00 0.00 H +HETATM 534 H2 HMW A 45 -5.312 -0.422 26.627 1.00 0.00 H +HETATM 535 H3 HMW A 45 -5.067 0.218 28.246 1.00 0.00 H +HETATM 536 H4 HMW A 45 -3.665 -1.577 28.721 1.00 0.00 H +HETATM 537 H5 HMW A 45 -4.776 -2.370 27.522 1.00 0.00 H +HETATM 538 H6 HMW A 45 -2.989 -1.710 25.676 1.00 0.00 H +HETATM 539 H7 HMW A 45 -2.477 -2.904 26.898 1.00 0.00 H +HETATM 540 H8 HMW A 45 -0.857 -1.216 26.442 1.00 0.00 H +HETATM 541 C1 HMW A 46 1.893 3.735 29.534 1.00 0.00 C +HETATM 542 C2 HMW A 46 2.837 3.616 28.375 1.00 0.00 C +HETATM 543 C3 HMW A 46 4.286 3.338 28.796 1.00 0.00 C +HETATM 544 O1 HMW A 46 4.702 4.534 29.447 1.00 0.00 O +HETATM 545 H1 HMW A 46 1.754 2.808 30.090 1.00 0.00 H +HETATM 546 H2 HMW A 46 2.259 4.486 30.235 1.00 0.00 H +HETATM 547 H3 HMW A 46 0.911 4.046 29.178 1.00 0.00 H +HETATM 548 H4 HMW A 46 2.453 2.805 27.756 1.00 0.00 H +HETATM 549 H5 HMW A 46 2.873 4.536 27.790 1.00 0.00 H +HETATM 550 H6 HMW A 46 4.986 3.158 27.980 1.00 0.00 H +HETATM 551 H7 HMW A 46 4.358 2.503 29.494 1.00 0.00 H +HETATM 552 H8 HMW A 46 5.669 4.642 29.568 1.00 0.00 H +HETATM 553 C1 HMW A 47 29.746 32.141 12.341 1.00 0.00 C +HETATM 554 C2 HMW A 47 28.245 32.378 12.419 1.00 0.00 C +HETATM 555 C3 HMW A 47 27.546 31.094 12.815 1.00 0.00 C +HETATM 556 O1 HMW A 47 27.621 30.130 11.857 1.00 0.00 O +HETATM 557 H1 HMW A 47 29.935 31.341 11.625 1.00 0.00 H +HETATM 558 H2 HMW A 47 30.247 33.070 12.068 1.00 0.00 H +HETATM 559 H3 HMW A 47 30.136 31.759 13.285 1.00 0.00 H +HETATM 560 H4 HMW A 47 28.020 33.114 13.191 1.00 0.00 H +HETATM 561 H5 HMW A 47 27.874 32.696 11.444 1.00 0.00 H +HETATM 562 H6 HMW A 47 26.465 31.219 12.892 1.00 0.00 H +HETATM 563 H7 HMW A 47 27.964 30.712 13.746 1.00 0.00 H +HETATM 564 H8 HMW A 47 28.480 29.657 11.847 1.00 0.00 H +HETATM 565 C1 HMW A 48 -0.553 30.165 53.261 1.00 0.00 C +HETATM 566 C2 HMW A 48 -1.185 29.210 52.244 1.00 0.00 C +HETATM 567 C3 HMW A 48 -0.326 29.211 50.972 1.00 0.00 C +HETATM 568 O1 HMW A 48 0.909 28.430 51.178 1.00 0.00 O +HETATM 569 H1 HMW A 48 -1.122 30.231 54.188 1.00 0.00 H +HETATM 570 H2 HMW A 48 0.498 29.942 53.444 1.00 0.00 H +HETATM 571 H3 HMW A 48 -0.590 31.186 52.882 1.00 0.00 H +HETATM 572 H4 HMW A 48 -1.477 28.242 52.652 1.00 0.00 H +HETATM 573 H5 HMW A 48 -2.133 29.677 51.978 1.00 0.00 H +HETATM 574 H6 HMW A 48 -0.002 30.230 50.756 1.00 0.00 H +HETATM 575 H7 HMW A 48 -1.001 28.882 50.182 1.00 0.00 H +HETATM 576 H8 HMW A 48 0.787 27.471 51.348 1.00 0.00 H +HETATM 577 C1 HMW A 49 12.957 5.388 10.863 1.00 0.00 C +HETATM 578 C2 HMW A 49 13.545 5.046 9.454 1.00 0.00 C +HETATM 579 C3 HMW A 49 14.705 4.101 9.620 1.00 0.00 C +HETATM 580 O1 HMW A 49 14.241 3.009 10.392 1.00 0.00 O +HETATM 581 H1 HMW A 49 13.773 5.807 11.452 1.00 0.00 H +HETATM 582 H2 HMW A 49 12.138 6.098 10.744 1.00 0.00 H +HETATM 583 H3 HMW A 49 12.513 4.504 11.321 1.00 0.00 H +HETATM 584 H4 HMW A 49 12.780 4.558 8.850 1.00 0.00 H +HETATM 585 H5 HMW A 49 13.902 5.906 8.886 1.00 0.00 H +HETATM 586 H6 HMW A 49 15.467 4.708 10.109 1.00 0.00 H +HETATM 587 H7 HMW A 49 15.065 3.726 8.662 1.00 0.00 H +HETATM 588 H8 HMW A 49 13.519 2.599 9.869 1.00 0.00 H +HETATM 589 C1 HMW A 50 -0.095 3.870 7.590 1.00 0.00 C +HETATM 590 C2 HMW A 50 -0.085 2.329 7.756 1.00 0.00 C +HETATM 591 C3 HMW A 50 -1.443 1.763 8.208 1.00 0.00 C +HETATM 592 O1 HMW A 50 -1.271 0.463 8.681 1.00 0.00 O +HETATM 593 H1 HMW A 50 -0.263 4.393 8.532 1.00 0.00 H +HETATM 594 H2 HMW A 50 0.787 4.280 7.096 1.00 0.00 H +HETATM 595 H3 HMW A 50 -0.864 4.175 6.880 1.00 0.00 H +HETATM 596 H4 HMW A 50 0.177 1.800 6.839 1.00 0.00 H +HETATM 597 H5 HMW A 50 0.701 2.131 8.486 1.00 0.00 H +HETATM 598 H6 HMW A 50 -2.171 1.767 7.396 1.00 0.00 H +HETATM 599 H7 HMW A 50 -1.880 2.313 9.042 1.00 0.00 H +HETATM 600 H8 HMW A 50 -1.342 -0.233 7.994 1.00 0.00 H +HETATM 601 C1 HMW A 51 -12.760 10.653 -12.283 1.00 0.00 C +HETATM 602 C2 HMW A 51 -12.976 11.405 -13.560 1.00 0.00 C +HETATM 603 C3 HMW A 51 -11.643 11.994 -13.992 1.00 0.00 C +HETATM 604 O1 HMW A 51 -10.554 11.150 -14.235 1.00 0.00 O +HETATM 605 H1 HMW A 51 -12.198 11.238 -11.555 1.00 0.00 H +HETATM 606 H2 HMW A 51 -13.763 10.430 -11.920 1.00 0.00 H +HETATM 607 H3 HMW A 51 -12.130 9.791 -12.501 1.00 0.00 H +HETATM 608 H4 HMW A 51 -13.360 10.715 -14.313 1.00 0.00 H +HETATM 609 H5 HMW A 51 -13.743 12.169 -13.430 1.00 0.00 H +HETATM 610 H6 HMW A 51 -11.299 12.741 -13.278 1.00 0.00 H +HETATM 611 H7 HMW A 51 -11.734 12.544 -14.929 1.00 0.00 H +HETATM 612 H8 HMW A 51 -10.361 11.122 -15.197 1.00 0.00 H +HETATM 613 C1 HMW A 52 7.529 -8.079 39.963 1.00 0.00 C +HETATM 614 C2 HMW A 52 6.767 -8.307 38.640 1.00 0.00 C +HETATM 615 C3 HMW A 52 7.810 -8.451 37.452 1.00 0.00 C +HETATM 616 O1 HMW A 52 8.157 -7.098 37.076 1.00 0.00 O +HETATM 617 H1 HMW A 52 6.738 -7.761 40.643 1.00 0.00 H +HETATM 618 H2 HMW A 52 7.988 -9.008 40.302 1.00 0.00 H +HETATM 619 H3 HMW A 52 8.173 -7.203 39.889 1.00 0.00 H +HETATM 620 H4 HMW A 52 6.209 -9.236 38.753 1.00 0.00 H +HETATM 621 H5 HMW A 52 6.031 -7.557 38.349 1.00 0.00 H +HETATM 622 H6 HMW A 52 7.381 -8.951 36.584 1.00 0.00 H +HETATM 623 H7 HMW A 52 8.710 -8.998 37.735 1.00 0.00 H +HETATM 624 H8 HMW A 52 7.429 -6.526 36.750 1.00 0.00 H +HETATM 625 C1 HMW A 53 14.053 -0.419 -8.730 1.00 0.00 C +HETATM 626 C2 HMW A 53 13.200 -1.633 -8.265 1.00 0.00 C +HETATM 627 C3 HMW A 53 12.960 -2.594 -9.369 1.00 0.00 C +HETATM 628 O1 HMW A 53 14.183 -3.239 -9.666 1.00 0.00 O +HETATM 629 H1 HMW A 53 15.047 -0.768 -9.008 1.00 0.00 H +HETATM 630 H2 HMW A 53 13.585 0.138 -9.543 1.00 0.00 H +HETATM 631 H3 HMW A 53 14.184 0.276 -7.900 1.00 0.00 H +HETATM 632 H4 HMW A 53 13.753 -2.016 -7.408 1.00 0.00 H +HETATM 633 H5 HMW A 53 12.227 -1.350 -7.863 1.00 0.00 H +HETATM 634 H6 HMW A 53 12.519 -2.121 -10.246 1.00 0.00 H +HETATM 635 H7 HMW A 53 12.237 -3.312 -8.981 1.00 0.00 H +HETATM 636 H8 HMW A 53 14.750 -2.583 -10.127 1.00 0.00 H +HETATM 637 C1 HMW A 54 20.355 30.883 27.137 1.00 0.00 C +HETATM 638 C2 HMW A 54 21.944 31.032 27.322 1.00 0.00 C +HETATM 639 C3 HMW A 54 22.315 32.518 27.622 1.00 0.00 C +HETATM 640 O1 HMW A 54 21.287 33.255 28.391 1.00 0.00 O +HETATM 641 H1 HMW A 54 20.182 29.812 27.036 1.00 0.00 H +HETATM 642 H2 HMW A 54 19.891 31.237 28.058 1.00 0.00 H +HETATM 643 H3 HMW A 54 20.075 31.480 26.269 1.00 0.00 H +HETATM 644 H4 HMW A 54 22.235 30.422 28.177 1.00 0.00 H +HETATM 645 H5 HMW A 54 22.501 30.779 26.419 1.00 0.00 H +HETATM 646 H6 HMW A 54 22.525 32.961 26.648 1.00 0.00 H +HETATM 647 H7 HMW A 54 23.168 32.576 28.298 1.00 0.00 H +HETATM 648 H8 HMW A 54 21.096 32.767 29.220 1.00 0.00 H +HETATM 649 C1 HMW A 55 36.439 4.434 26.268 1.00 0.00 C +HETATM 650 C2 HMW A 55 35.342 5.037 27.214 1.00 0.00 C +HETATM 651 C3 HMW A 55 35.516 4.421 28.566 1.00 0.00 C +HETATM 652 O1 HMW A 55 34.524 4.966 29.460 1.00 0.00 O +HETATM 653 H1 HMW A 55 37.460 4.679 26.561 1.00 0.00 H +HETATM 654 H2 HMW A 55 36.456 3.344 26.256 1.00 0.00 H +HETATM 655 H3 HMW A 55 36.326 4.801 25.247 1.00 0.00 H +HETATM 656 H4 HMW A 55 35.559 6.103 27.282 1.00 0.00 H +HETATM 657 H5 HMW A 55 34.364 4.861 26.765 1.00 0.00 H +HETATM 658 H6 HMW A 55 36.547 4.488 28.913 1.00 0.00 H +HETATM 659 H7 HMW A 55 35.321 3.350 28.530 1.00 0.00 H +HETATM 660 H8 HMW A 55 34.586 5.944 29.507 1.00 0.00 H +HETATM 661 C1 HMW A 56 -1.376 35.016 -1.723 1.00 0.00 C +HETATM 662 C2 HMW A 56 -1.058 35.063 -3.319 1.00 0.00 C +HETATM 663 C3 HMW A 56 0.401 34.510 -3.591 1.00 0.00 C +HETATM 664 O1 HMW A 56 1.166 35.624 -3.172 1.00 0.00 O +HETATM 665 H1 HMW A 56 -2.381 35.389 -1.523 1.00 0.00 H +HETATM 666 H2 HMW A 56 -1.384 34.003 -1.322 1.00 0.00 H +HETATM 667 H3 HMW A 56 -0.627 35.580 -1.166 1.00 0.00 H +HETATM 668 H4 HMW A 56 -1.868 34.451 -3.717 1.00 0.00 H +HETATM 669 H5 HMW A 56 -1.180 36.074 -3.708 1.00 0.00 H +HETATM 670 H6 HMW A 56 0.543 34.284 -4.648 1.00 0.00 H +HETATM 671 H7 HMW A 56 0.620 33.663 -2.941 1.00 0.00 H +HETATM 672 H8 HMW A 56 1.099 35.696 -2.196 1.00 0.00 H +HETATM 673 C1 HMW A 57 15.338 31.154 14.819 1.00 0.00 C +HETATM 674 C2 HMW A 57 15.355 30.628 13.380 1.00 0.00 C +HETATM 675 C3 HMW A 57 16.525 29.638 13.017 1.00 0.00 C +HETATM 676 O1 HMW A 57 16.518 29.383 11.619 1.00 0.00 O +HETATM 677 H1 HMW A 57 15.083 30.419 15.583 1.00 0.00 H +HETATM 678 H2 HMW A 57 16.288 31.601 15.112 1.00 0.00 H +HETATM 679 H3 HMW A 57 14.641 31.992 14.843 1.00 0.00 H +HETATM 680 H4 HMW A 57 14.355 30.267 13.137 1.00 0.00 H +HETATM 681 H5 HMW A 57 15.671 31.568 12.926 1.00 0.00 H +HETATM 682 H6 HMW A 57 16.319 28.735 13.592 1.00 0.00 H +HETATM 683 H7 HMW A 57 17.430 30.123 13.383 1.00 0.00 H +HETATM 684 H8 HMW A 57 15.579 29.358 11.334 1.00 0.00 H +HETATM 685 C1 HMW A 58 4.520 11.022 55.783 1.00 0.00 C +HETATM 686 C2 HMW A 58 5.733 10.141 55.963 1.00 0.00 C +HETATM 687 C3 HMW A 58 6.475 9.924 54.639 1.00 0.00 C +HETATM 688 O1 HMW A 58 7.126 11.038 53.998 1.00 0.00 O +HETATM 689 H1 HMW A 58 3.828 10.536 55.095 1.00 0.00 H +HETATM 690 H2 HMW A 58 3.927 11.067 56.696 1.00 0.00 H +HETATM 691 H3 HMW A 58 4.703 12.054 55.481 1.00 0.00 H +HETATM 692 H4 HMW A 58 6.383 10.499 56.761 1.00 0.00 H +HETATM 693 H5 HMW A 58 5.480 9.169 56.386 1.00 0.00 H +HETATM 694 H6 HMW A 58 5.849 9.395 53.921 1.00 0.00 H +HETATM 695 H7 HMW A 58 7.298 9.263 54.912 1.00 0.00 H +HETATM 696 H8 HMW A 58 7.514 11.655 54.655 1.00 0.00 H +HETATM 697 C1 HMW A 59 15.379 25.735 23.985 1.00 0.00 C +HETATM 698 C2 HMW A 59 15.251 24.297 24.620 1.00 0.00 C +HETATM 699 C3 HMW A 59 14.616 23.284 23.518 1.00 0.00 C +HETATM 700 O1 HMW A 59 13.250 23.151 23.874 1.00 0.00 O +HETATM 701 H1 HMW A 59 15.581 26.517 24.716 1.00 0.00 H +HETATM 702 H2 HMW A 59 16.165 25.585 23.245 1.00 0.00 H +HETATM 703 H3 HMW A 59 14.464 26.038 23.476 1.00 0.00 H +HETATM 704 H4 HMW A 59 16.161 23.894 25.064 1.00 0.00 H +HETATM 705 H5 HMW A 59 14.567 24.368 25.465 1.00 0.00 H +HETATM 706 H6 HMW A 59 15.121 22.320 23.597 1.00 0.00 H +HETATM 707 H7 HMW A 59 14.727 23.651 22.498 1.00 0.00 H +HETATM 708 H8 HMW A 59 13.115 22.872 24.804 1.00 0.00 H +HETATM 709 C1 HMW A 60 45.341 7.695 35.429 1.00 0.00 C +HETATM 710 C2 HMW A 60 45.406 6.596 36.522 1.00 0.00 C +HETATM 711 C3 HMW A 60 46.732 5.830 36.444 1.00 0.00 C +HETATM 712 O1 HMW A 60 46.734 4.618 37.082 1.00 0.00 O +HETATM 713 H1 HMW A 60 44.350 8.149 35.446 1.00 0.00 H +HETATM 714 H2 HMW A 60 46.168 8.381 35.615 1.00 0.00 H +HETATM 715 H3 HMW A 60 45.507 7.274 34.438 1.00 0.00 H +HETATM 716 H4 HMW A 60 45.315 7.045 37.511 1.00 0.00 H +HETATM 717 H5 HMW A 60 44.553 5.925 36.415 1.00 0.00 H +HETATM 718 H6 HMW A 60 47.469 6.487 36.906 1.00 0.00 H +HETATM 719 H7 HMW A 60 47.024 5.667 35.406 1.00 0.00 H +HETATM 720 H8 HMW A 60 46.880 4.742 38.044 1.00 0.00 H +HETATM 721 C1 HMW A 61 42.069 10.945 -5.060 1.00 0.00 C +HETATM 722 C2 HMW A 61 41.500 10.275 -3.826 1.00 0.00 C +HETATM 723 C3 HMW A 61 42.043 11.011 -2.599 1.00 0.00 C +HETATM 724 O1 HMW A 61 43.396 10.687 -2.375 1.00 0.00 O +HETATM 725 H1 HMW A 61 43.122 11.214 -4.976 1.00 0.00 H +HETATM 726 H2 HMW A 61 41.930 10.310 -5.935 1.00 0.00 H +HETATM 727 H3 HMW A 61 41.495 11.872 -5.051 1.00 0.00 H +HETATM 728 H4 HMW A 61 40.416 10.396 -3.839 1.00 0.00 H +HETATM 729 H5 HMW A 61 41.811 9.231 -3.798 1.00 0.00 H +HETATM 730 H6 HMW A 61 41.497 10.804 -1.679 1.00 0.00 H +HETATM 731 H7 HMW A 61 41.892 12.083 -2.734 1.00 0.00 H +HETATM 732 H8 HMW A 61 43.692 10.939 -1.474 1.00 0.00 H +HETATM 733 C1 HMW A 62 13.518 11.849 1.331 1.00 0.00 C +HETATM 734 C2 HMW A 62 12.162 11.569 2.001 1.00 0.00 C +HETATM 735 C3 HMW A 62 10.953 11.463 1.060 1.00 0.00 C +HETATM 736 O1 HMW A 62 11.120 10.361 0.138 1.00 0.00 O +HETATM 737 H1 HMW A 62 13.428 12.710 0.669 1.00 0.00 H +HETATM 738 H2 HMW A 62 14.340 11.961 2.039 1.00 0.00 H +HETATM 739 H3 HMW A 62 13.860 10.927 0.860 1.00 0.00 H +HETATM 740 H4 HMW A 62 12.174 10.621 2.540 1.00 0.00 H +HETATM 741 H5 HMW A 62 11.929 12.275 2.799 1.00 0.00 H +HETATM 742 H6 HMW A 62 10.853 12.408 0.525 1.00 0.00 H +HETATM 743 H7 HMW A 62 10.044 11.321 1.644 1.00 0.00 H +HETATM 744 H8 HMW A 62 11.736 9.654 0.425 1.00 0.00 H +HETATM 745 C1 HMW A 63 35.229 -11.503 7.079 1.00 0.00 C +HETATM 746 C2 HMW A 63 36.516 -11.994 6.488 1.00 0.00 C +HETATM 747 C3 HMW A 63 37.350 -12.731 7.563 1.00 0.00 C +HETATM 748 O1 HMW A 63 38.448 -13.523 6.999 1.00 0.00 O +HETATM 749 H1 HMW A 63 34.575 -11.195 6.263 1.00 0.00 H +HETATM 750 H2 HMW A 63 34.720 -12.323 7.587 1.00 0.00 H +HETATM 751 H3 HMW A 63 35.469 -10.707 7.784 1.00 0.00 H +HETATM 752 H4 HMW A 63 36.236 -12.742 5.747 1.00 0.00 H +HETATM 753 H5 HMW A 63 37.115 -11.292 5.907 1.00 0.00 H +HETATM 754 H6 HMW A 63 36.772 -13.408 8.192 1.00 0.00 H +HETATM 755 H7 HMW A 63 37.687 -11.964 8.262 1.00 0.00 H +HETATM 756 H8 HMW A 63 39.056 -13.009 6.425 1.00 0.00 H +HETATM 757 C1 HMW A 64 25.199 -13.854 -27.212 1.00 0.00 C +HETATM 758 C2 HMW A 64 23.868 -14.085 -27.859 1.00 0.00 C +HETATM 759 C3 HMW A 64 22.789 -14.894 -27.115 1.00 0.00 C +HETATM 760 O1 HMW A 64 22.322 -14.027 -26.111 1.00 0.00 O +HETATM 761 H1 HMW A 64 25.104 -13.131 -26.402 1.00 0.00 H +HETATM 762 H2 HMW A 64 25.546 -14.782 -26.756 1.00 0.00 H +HETATM 763 H3 HMW A 64 25.923 -13.485 -27.939 1.00 0.00 H +HETATM 764 H4 HMW A 64 23.362 -13.214 -28.277 1.00 0.00 H +HETATM 765 H5 HMW A 64 24.026 -14.617 -28.797 1.00 0.00 H +HETATM 766 H6 HMW A 64 23.199 -15.813 -26.696 1.00 0.00 H +HETATM 767 H7 HMW A 64 21.949 -15.122 -27.772 1.00 0.00 H +HETATM 768 H8 HMW A 64 21.637 -14.500 -25.591 1.00 0.00 H +HETATM 769 C1 HMW A 65 7.335 23.102 14.516 1.00 0.00 C +HETATM 770 C2 HMW A 65 6.253 23.514 13.434 1.00 0.00 C +HETATM 771 C3 HMW A 65 5.933 22.276 12.626 1.00 0.00 C +HETATM 772 O1 HMW A 65 4.942 22.456 11.642 1.00 0.00 O +HETATM 773 H1 HMW A 65 7.372 23.961 15.187 1.00 0.00 H +HETATM 774 H2 HMW A 65 6.956 22.252 15.083 1.00 0.00 H +HETATM 775 H3 HMW A 65 8.342 22.886 14.160 1.00 0.00 H +HETATM 776 H4 HMW A 65 5.340 23.740 13.985 1.00 0.00 H +HETATM 777 H5 HMW A 65 6.540 24.371 12.825 1.00 0.00 H +HETATM 778 H6 HMW A 65 5.651 21.554 13.394 1.00 0.00 H +HETATM 779 H7 HMW A 65 6.873 21.965 12.172 1.00 0.00 H +HETATM 780 H8 HMW A 65 5.000 23.334 11.208 1.00 0.00 H +HETATM 781 C1 HMW A 66 29.433 8.332 30.521 1.00 0.00 C +HETATM 782 C2 HMW A 66 28.533 7.219 30.293 1.00 0.00 C +HETATM 783 C3 HMW A 66 27.175 7.618 30.216 1.00 0.00 C +HETATM 784 O1 HMW A 66 26.956 8.378 29.082 1.00 0.00 O +HETATM 785 H1 HMW A 66 29.168 8.950 31.379 1.00 0.00 H +HETATM 786 H2 HMW A 66 30.406 7.899 30.755 1.00 0.00 H +HETATM 787 H3 HMW A 66 29.485 8.901 29.593 1.00 0.00 H +HETATM 788 H4 HMW A 66 28.838 6.752 29.356 1.00 0.00 H +HETATM 789 H5 HMW A 66 28.703 6.499 31.094 1.00 0.00 H +HETATM 790 H6 HMW A 66 26.881 8.187 31.099 1.00 0.00 H +HETATM 791 H7 HMW A 66 26.495 6.766 30.201 1.00 0.00 H +HETATM 792 H8 HMW A 66 26.021 8.671 29.034 1.00 0.00 H +HETATM 793 C1 HMW A 67 29.946 27.907 -21.322 1.00 0.00 C +HETATM 794 C2 HMW A 67 30.587 26.649 -21.825 1.00 0.00 C +HETATM 795 C3 HMW A 67 30.129 26.339 -23.295 1.00 0.00 C +HETATM 796 O1 HMW A 67 28.826 25.801 -23.392 1.00 0.00 O +HETATM 797 H1 HMW A 67 28.915 27.720 -21.021 1.00 0.00 H +HETATM 798 H2 HMW A 67 30.375 28.236 -20.375 1.00 0.00 H +HETATM 799 H3 HMW A 67 29.974 28.747 -22.017 1.00 0.00 H +HETATM 800 H4 HMW A 67 31.668 26.788 -21.813 1.00 0.00 H +HETATM 801 H5 HMW A 67 30.409 25.745 -21.242 1.00 0.00 H +HETATM 802 H6 HMW A 67 30.882 25.721 -23.783 1.00 0.00 H +HETATM 803 H7 HMW A 67 30.119 27.277 -23.851 1.00 0.00 H +HETATM 804 H8 HMW A 67 28.419 25.946 -24.273 1.00 0.00 H +HETATM 805 C1 HMW A 68 12.918 3.538 3.224 1.00 0.00 C +HETATM 806 C2 HMW A 68 13.298 4.099 4.592 1.00 0.00 C +HETATM 807 C3 HMW A 68 13.363 3.024 5.579 1.00 0.00 C +HETATM 808 O1 HMW A 68 14.597 2.238 5.596 1.00 0.00 O +HETATM 809 H1 HMW A 68 13.712 2.937 2.780 1.00 0.00 H +HETATM 810 H2 HMW A 68 12.003 2.946 3.211 1.00 0.00 H +HETATM 811 H3 HMW A 68 12.710 4.412 2.608 1.00 0.00 H +HETATM 812 H4 HMW A 68 14.189 4.728 4.608 1.00 0.00 H +HETATM 813 H5 HMW A 68 12.454 4.727 4.878 1.00 0.00 H +HETATM 814 H6 HMW A 68 12.505 2.358 5.486 1.00 0.00 H +HETATM 815 H7 HMW A 68 13.306 3.442 6.584 1.00 0.00 H +HETATM 816 H8 HMW A 68 14.390 1.381 6.026 1.00 0.00 H +HETATM 817 C1 HMW A 69 48.718 44.450 10.959 1.00 0.00 C +HETATM 818 C2 HMW A 69 48.439 43.563 9.723 1.00 0.00 C +HETATM 819 C3 HMW A 69 48.936 44.129 8.440 1.00 0.00 C +HETATM 820 O1 HMW A 69 48.236 45.215 8.055 1.00 0.00 O +HETATM 821 H1 HMW A 69 48.724 43.768 11.809 1.00 0.00 H +HETATM 822 H2 HMW A 69 49.739 44.797 10.794 1.00 0.00 H +HETATM 823 H3 HMW A 69 48.011 45.260 11.135 1.00 0.00 H +HETATM 824 H4 HMW A 69 48.981 42.629 9.869 1.00 0.00 H +HETATM 825 H5 HMW A 69 47.396 43.249 9.673 1.00 0.00 H +HETATM 826 H6 HMW A 69 48.844 43.317 7.719 1.00 0.00 H +HETATM 827 H7 HMW A 69 49.974 44.454 8.521 1.00 0.00 H +HETATM 828 H8 HMW A 69 48.322 45.979 8.663 1.00 0.00 H +HETATM 829 C1 HMW A 70 18.583 -2.120 19.948 1.00 0.00 C +HETATM 830 C2 HMW A 70 17.369 -2.945 19.573 1.00 0.00 C +HETATM 831 C3 HMW A 70 17.700 -3.836 18.384 1.00 0.00 C +HETATM 832 O1 HMW A 70 18.160 -3.116 17.253 1.00 0.00 O +HETATM 833 H1 HMW A 70 18.318 -1.555 20.842 1.00 0.00 H +HETATM 834 H2 HMW A 70 19.447 -2.741 20.187 1.00 0.00 H +HETATM 835 H3 HMW A 70 18.804 -1.361 19.198 1.00 0.00 H +HETATM 836 H4 HMW A 70 17.117 -3.492 20.482 1.00 0.00 H +HETATM 837 H5 HMW A 70 16.470 -2.416 19.258 1.00 0.00 H +HETATM 838 H6 HMW A 70 16.816 -4.421 18.129 1.00 0.00 H +HETATM 839 H7 HMW A 70 18.490 -4.497 18.739 1.00 0.00 H +HETATM 840 H8 HMW A 70 17.505 -2.544 16.797 1.00 0.00 H +HETATM 841 C1 HMW A 71 30.361 20.702 20.635 1.00 0.00 C +HETATM 842 C2 HMW A 71 30.170 21.421 21.988 1.00 0.00 C +HETATM 843 C3 HMW A 71 31.177 22.527 22.128 1.00 0.00 C +HETATM 844 O1 HMW A 71 32.457 22.033 22.599 1.00 0.00 O +HETATM 845 H1 HMW A 71 30.217 21.314 19.745 1.00 0.00 H +HETATM 846 H2 HMW A 71 31.359 20.263 20.651 1.00 0.00 H +HETATM 847 H3 HMW A 71 29.652 19.884 20.507 1.00 0.00 H +HETATM 848 H4 HMW A 71 29.160 21.824 22.051 1.00 0.00 H +HETATM 849 H5 HMW A 71 30.219 20.686 22.792 1.00 0.00 H +HETATM 850 H6 HMW A 71 30.836 23.307 22.809 1.00 0.00 H +HETATM 851 H7 HMW A 71 31.269 23.057 21.180 1.00 0.00 H +HETATM 852 H8 HMW A 71 33.127 22.750 22.630 1.00 0.00 H +HETATM 853 C1 HMW A 72 -14.032 -25.421 25.814 1.00 0.00 C +HETATM 854 C2 HMW A 72 -12.983 -25.462 26.970 1.00 0.00 C +HETATM 855 C3 HMW A 72 -12.976 -26.837 27.739 1.00 0.00 C +HETATM 856 O1 HMW A 72 -12.188 -26.613 28.917 1.00 0.00 O +HETATM 857 H1 HMW A 72 -13.894 -26.317 25.209 1.00 0.00 H +HETATM 858 H2 HMW A 72 -14.971 -25.658 26.315 1.00 0.00 H +HETATM 859 H3 HMW A 72 -14.021 -24.484 25.258 1.00 0.00 H +HETATM 860 H4 HMW A 72 -12.004 -25.264 26.532 1.00 0.00 H +HETATM 861 H5 HMW A 72 -13.176 -24.653 27.674 1.00 0.00 H +HETATM 862 H6 HMW A 72 -12.485 -27.632 27.177 1.00 0.00 H +HETATM 863 H7 HMW A 72 -14.017 -27.036 27.997 1.00 0.00 H +HETATM 864 H8 HMW A 72 -11.952 -27.483 29.306 1.00 0.00 H +HETATM 865 C1 HMW A 73 -9.697 -8.125 50.961 1.00 0.00 C +HETATM 866 C2 HMW A 73 -8.383 -8.757 50.586 1.00 0.00 C +HETATM 867 C3 HMW A 73 -8.319 -10.154 51.141 1.00 0.00 C +HETATM 868 O1 HMW A 73 -8.311 -10.034 52.507 1.00 0.00 O +HETATM 869 H1 HMW A 73 -9.775 -7.976 52.038 1.00 0.00 H +HETATM 870 H2 HMW A 73 -9.820 -7.153 50.485 1.00 0.00 H +HETATM 871 H3 HMW A 73 -10.505 -8.666 50.468 1.00 0.00 H +HETATM 872 H4 HMW A 73 -8.428 -8.749 49.497 1.00 0.00 H +HETATM 873 H5 HMW A 73 -7.606 -8.059 50.899 1.00 0.00 H +HETATM 874 H6 HMW A 73 -7.357 -10.594 50.879 1.00 0.00 H +HETATM 875 H7 HMW A 73 -9.146 -10.780 50.806 1.00 0.00 H +HETATM 876 H8 HMW A 73 -7.407 -9.948 52.878 1.00 0.00 H +HETATM 877 C1 HMW A 74 18.486 -13.031 -6.171 1.00 0.00 C +HETATM 878 C2 HMW A 74 19.755 -12.304 -6.391 1.00 0.00 C +HETATM 879 C3 HMW A 74 20.332 -12.423 -7.822 1.00 0.00 C +HETATM 880 O1 HMW A 74 20.725 -13.757 -8.040 1.00 0.00 O +HETATM 881 H1 HMW A 74 18.057 -12.778 -5.201 1.00 0.00 H +HETATM 882 H2 HMW A 74 17.749 -12.769 -6.930 1.00 0.00 H +HETATM 883 H3 HMW A 74 18.708 -14.098 -6.213 1.00 0.00 H +HETATM 884 H4 HMW A 74 19.511 -11.256 -6.213 1.00 0.00 H +HETATM 885 H5 HMW A 74 20.487 -12.519 -5.613 1.00 0.00 H +HETATM 886 H6 HMW A 74 21.195 -11.759 -7.782 1.00 0.00 H +HETATM 887 H7 HMW A 74 19.648 -12.026 -8.572 1.00 0.00 H +HETATM 888 H8 HMW A 74 21.303 -14.113 -7.332 1.00 0.00 H +HETATM 889 C1 HMW A 75 9.511 -2.846 45.246 1.00 0.00 C +HETATM 890 C2 HMW A 75 8.782 -2.259 46.518 1.00 0.00 C +HETATM 891 C3 HMW A 75 8.211 -0.868 46.146 1.00 0.00 C +HETATM 892 O1 HMW A 75 7.377 -0.414 47.157 1.00 0.00 O +HETATM 893 H1 HMW A 75 8.733 -3.155 44.548 1.00 0.00 H +HETATM 894 H2 HMW A 75 10.011 -2.040 44.709 1.00 0.00 H +HETATM 895 H3 HMW A 75 10.269 -3.609 45.426 1.00 0.00 H +HETATM 896 H4 HMW A 75 7.935 -2.871 46.829 1.00 0.00 H +HETATM 897 H5 HMW A 75 9.461 -2.163 47.365 1.00 0.00 H +HETATM 898 H6 HMW A 75 7.816 -0.825 45.131 1.00 0.00 H +HETATM 899 H7 HMW A 75 9.039 -0.164 46.058 1.00 0.00 H +HETATM 900 H8 HMW A 75 7.029 0.494 47.025 1.00 0.00 H +HETATM 901 C1 HMW A 76 7.598 19.756 21.467 1.00 0.00 C +HETATM 902 C2 HMW A 76 7.724 18.689 22.628 1.00 0.00 C +HETATM 903 C3 HMW A 76 6.356 18.525 23.412 1.00 0.00 C +HETATM 904 O1 HMW A 76 5.921 19.730 24.063 1.00 0.00 O +HETATM 905 H1 HMW A 76 7.401 20.682 22.008 1.00 0.00 H +HETATM 906 H2 HMW A 76 8.498 19.899 20.869 1.00 0.00 H +HETATM 907 H3 HMW A 76 6.871 19.535 20.687 1.00 0.00 H +HETATM 908 H4 HMW A 76 8.016 17.734 22.191 1.00 0.00 H +HETATM 909 H5 HMW A 76 8.479 19.058 23.323 1.00 0.00 H +HETATM 910 H6 HMW A 76 6.560 17.729 24.128 1.00 0.00 H +HETATM 911 H7 HMW A 76 5.570 18.178 22.740 1.00 0.00 H +HETATM 912 H8 HMW A 76 5.808 20.426 23.380 1.00 0.00 H +HETATM 913 C1 HMW A 77 40.345 16.477 -3.102 1.00 0.00 C +HETATM 914 C2 HMW A 77 40.813 15.675 -4.304 1.00 0.00 C +HETATM 915 C3 HMW A 77 42.331 15.337 -4.337 1.00 0.00 C +HETATM 916 O1 HMW A 77 42.740 14.892 -3.082 1.00 0.00 O +HETATM 917 H1 HMW A 77 40.799 17.463 -3.204 1.00 0.00 H +HETATM 918 H2 HMW A 77 39.269 16.594 -3.238 1.00 0.00 H +HETATM 919 H3 HMW A 77 40.659 15.913 -2.224 1.00 0.00 H +HETATM 920 H4 HMW A 77 40.363 14.686 -4.224 1.00 0.00 H +HETATM 921 H5 HMW A 77 40.523 16.046 -5.288 1.00 0.00 H +HETATM 922 H6 HMW A 77 42.889 16.229 -4.621 1.00 0.00 H +HETATM 923 H7 HMW A 77 42.468 14.600 -5.128 1.00 0.00 H +HETATM 924 H8 HMW A 77 42.809 15.618 -2.426 1.00 0.00 H +HETATM 925 C1 HMW A 78 6.908 -1.823 33.465 1.00 0.00 C +HETATM 926 C2 HMW A 78 6.556 -2.633 32.175 1.00 0.00 C +HETATM 927 C3 HMW A 78 7.701 -3.318 31.452 1.00 0.00 C +HETATM 928 O1 HMW A 78 8.450 -4.174 32.339 1.00 0.00 O +HETATM 929 H1 HMW A 78 7.375 -0.865 33.237 1.00 0.00 H +HETATM 930 H2 HMW A 78 6.065 -1.615 34.124 1.00 0.00 H +HETATM 931 H3 HMW A 78 7.566 -2.481 34.033 1.00 0.00 H +HETATM 932 H4 HMW A 78 5.859 -3.418 32.467 1.00 0.00 H +HETATM 933 H5 HMW A 78 6.028 -1.905 31.559 1.00 0.00 H +HETATM 934 H6 HMW A 78 8.348 -2.598 30.952 1.00 0.00 H +HETATM 935 H7 HMW A 78 7.294 -3.898 30.624 1.00 0.00 H +HETATM 936 H8 HMW A 78 7.875 -4.794 32.837 1.00 0.00 H +HETATM 937 C1 HMW A 79 26.296 14.165 7.337 1.00 0.00 C +HETATM 938 C2 HMW A 79 26.451 15.141 8.503 1.00 0.00 C +HETATM 939 C3 HMW A 79 25.221 15.269 9.549 1.00 0.00 C +HETATM 940 O1 HMW A 79 25.378 14.294 10.560 1.00 0.00 O +HETATM 941 H1 HMW A 79 27.181 14.257 6.708 1.00 0.00 H +HETATM 942 H2 HMW A 79 26.243 13.153 7.739 1.00 0.00 H +HETATM 943 H3 HMW A 79 25.414 14.396 6.739 1.00 0.00 H +HETATM 944 H4 HMW A 79 27.373 14.991 9.066 1.00 0.00 H +HETATM 945 H5 HMW A 79 26.484 16.153 8.100 1.00 0.00 H +HETATM 946 H6 HMW A 79 24.302 15.021 9.017 1.00 0.00 H +HETATM 947 H7 HMW A 79 25.106 16.306 9.866 1.00 0.00 H +HETATM 948 H8 HMW A 79 25.396 13.420 10.115 1.00 0.00 H +HETATM 949 C1 HMW A 80 -40.734 34.650 18.063 1.00 0.00 C +HETATM 950 C2 HMW A 80 -39.289 34.406 17.656 1.00 0.00 C +HETATM 951 C3 HMW A 80 -38.265 35.179 18.398 1.00 0.00 C +HETATM 952 O1 HMW A 80 -36.965 35.054 17.834 1.00 0.00 O +HETATM 953 H1 HMW A 80 -40.900 34.221 19.052 1.00 0.00 H +HETATM 954 H2 HMW A 80 -41.021 35.681 17.857 1.00 0.00 H +HETATM 955 H3 HMW A 80 -41.330 34.006 17.416 1.00 0.00 H +HETATM 956 H4 HMW A 80 -39.139 33.327 17.605 1.00 0.00 H +HETATM 957 H5 HMW A 80 -39.306 34.650 16.594 1.00 0.00 H +HETATM 958 H6 HMW A 80 -38.213 34.840 19.433 1.00 0.00 H +HETATM 959 H7 HMW A 80 -38.580 36.222 18.412 1.00 0.00 H +HETATM 960 H8 HMW A 80 -36.357 35.759 18.146 1.00 0.00 H +HETATM 961 C1 HMW A 81 18.516 0.656 24.948 1.00 0.00 C +HETATM 962 C2 HMW A 81 18.861 0.595 23.470 1.00 0.00 C +HETATM 963 C3 HMW A 81 17.697 1.227 22.698 1.00 0.00 C +HETATM 964 O1 HMW A 81 17.265 2.389 23.283 1.00 0.00 O +HETATM 965 H1 HMW A 81 17.604 0.126 25.227 1.00 0.00 H +HETATM 966 H2 HMW A 81 19.301 0.140 25.501 1.00 0.00 H +HETATM 967 H3 HMW A 81 18.460 1.659 25.370 1.00 0.00 H +HETATM 968 H4 HMW A 81 19.739 1.190 23.217 1.00 0.00 H +HETATM 969 H5 HMW A 81 19.012 -0.391 23.031 1.00 0.00 H +HETATM 970 H6 HMW A 81 16.811 0.596 22.757 1.00 0.00 H +HETATM 971 H7 HMW A 81 17.847 1.359 21.626 1.00 0.00 H +HETATM 972 H8 HMW A 81 16.451 2.608 22.781 1.00 0.00 H +HETATM 973 C1 HMW A 82 -3.721 1.803 38.935 1.00 0.00 C +HETATM 974 C2 HMW A 82 -3.726 2.189 40.397 1.00 0.00 C +HETATM 975 C3 HMW A 82 -2.849 1.305 41.361 1.00 0.00 C +HETATM 976 O1 HMW A 82 -1.489 1.671 41.078 1.00 0.00 O +HETATM 977 H1 HMW A 82 -2.698 1.895 38.569 1.00 0.00 H +HETATM 978 H2 HMW A 82 -4.025 0.761 38.837 1.00 0.00 H +HETATM 979 H3 HMW A 82 -4.261 2.559 38.364 1.00 0.00 H +HETATM 980 H4 HMW A 82 -3.335 3.203 40.477 1.00 0.00 H +HETATM 981 H5 HMW A 82 -4.721 2.271 40.834 1.00 0.00 H +HETATM 982 H6 HMW A 82 -3.033 0.263 41.102 1.00 0.00 H +HETATM 983 H7 HMW A 82 -3.034 1.426 42.429 1.00 0.00 H +HETATM 984 H8 HMW A 82 -1.331 1.745 40.112 1.00 0.00 H +HETATM 985 C1 HMW A 83 35.194 19.423 31.566 1.00 0.00 C +HETATM 986 C2 HMW A 83 33.795 19.185 32.131 1.00 0.00 C +HETATM 987 C3 HMW A 83 33.655 19.658 33.639 1.00 0.00 C +HETATM 988 O1 HMW A 83 34.022 21.078 33.775 1.00 0.00 O +HETATM 989 H1 HMW A 83 35.991 19.097 32.235 1.00 0.00 H +HETATM 990 H2 HMW A 83 35.184 18.827 30.654 1.00 0.00 H +HETATM 991 H3 HMW A 83 35.351 20.452 31.243 1.00 0.00 H +HETATM 992 H4 HMW A 83 33.125 19.786 31.516 1.00 0.00 H +HETATM 993 H5 HMW A 83 33.538 18.128 32.061 1.00 0.00 H +HETATM 994 H6 HMW A 83 34.295 19.032 34.261 1.00 0.00 H +HETATM 995 H7 HMW A 83 32.625 19.503 33.959 1.00 0.00 H +HETATM 996 H8 HMW A 83 33.755 21.432 34.650 1.00 0.00 H +HETATM 997 C1 HMW A 84 5.617 -14.564 5.949 1.00 0.00 C +HETATM 998 C2 HMW A 84 5.653 -16.078 5.981 1.00 0.00 C +HETATM 999 C3 HMW A 84 7.070 -16.524 5.693 1.00 0.00 C +HETATM 1000 O1 HMW A 84 7.979 -16.366 6.774 1.00 0.00 O +HETATM 1001 H1 HMW A 84 4.585 -14.266 5.763 1.00 0.00 H +HETATM 1002 H2 HMW A 84 5.996 -14.082 6.851 1.00 0.00 H +HETATM 1003 H3 HMW A 84 6.104 -14.116 5.083 1.00 0.00 H +HETATM 1004 H4 HMW A 84 5.313 -16.499 6.927 1.00 0.00 H +HETATM 1005 H5 HMW A 84 5.029 -16.434 5.161 1.00 0.00 H +HETATM 1006 H6 HMW A 84 7.452 -16.042 4.793 1.00 0.00 H +HETATM 1007 H7 HMW A 84 7.087 -17.572 5.392 1.00 0.00 H +HETATM 1008 H8 HMW A 84 7.696 -16.768 7.623 1.00 0.00 H +HETATM 1009 C1 HMW A 85 -2.411 19.898 7.661 1.00 0.00 C +HETATM 1010 C2 HMW A 85 -2.081 19.170 9.017 1.00 0.00 C +HETATM 1011 C3 HMW A 85 -0.641 19.409 9.390 1.00 0.00 C +HETATM 1012 O1 HMW A 85 -0.468 18.695 10.604 1.00 0.00 O +HETATM 1013 H1 HMW A 85 -2.123 20.947 7.723 1.00 0.00 H +HETATM 1014 H2 HMW A 85 -1.999 19.416 6.774 1.00 0.00 H +HETATM 1015 H3 HMW A 85 -3.498 19.899 7.580 1.00 0.00 H +HETATM 1016 H4 HMW A 85 -2.738 19.514 9.816 1.00 0.00 H +HETATM 1017 H5 HMW A 85 -2.243 18.102 8.865 1.00 0.00 H +HETATM 1018 H6 HMW A 85 -0.463 20.484 9.428 1.00 0.00 H +HETATM 1019 H7 HMW A 85 0.005 19.023 8.601 1.00 0.00 H +HETATM 1020 H8 HMW A 85 -0.638 17.732 10.519 1.00 0.00 H +HETATM 1021 C1 HMW A 86 2.371 48.721 14.802 1.00 0.00 C +HETATM 1022 C2 HMW A 86 1.015 49.220 15.150 1.00 0.00 C +HETATM 1023 C3 HMW A 86 0.507 48.475 16.355 1.00 0.00 C +HETATM 1024 O1 HMW A 86 -0.034 47.184 15.905 1.00 0.00 O +HETATM 1025 H1 HMW A 86 2.976 48.471 15.674 1.00 0.00 H +HETATM 1026 H2 HMW A 86 2.307 47.792 14.234 1.00 0.00 H +HETATM 1027 H3 HMW A 86 2.900 49.468 14.210 1.00 0.00 H +HETATM 1028 H4 HMW A 86 1.175 50.224 15.543 1.00 0.00 H +HETATM 1029 H5 HMW A 86 0.310 49.322 14.325 1.00 0.00 H +HETATM 1030 H6 HMW A 86 -0.282 48.996 16.898 1.00 0.00 H +HETATM 1031 H7 HMW A 86 1.334 48.354 17.054 1.00 0.00 H +HETATM 1032 H8 HMW A 86 -0.428 47.212 15.007 1.00 0.00 H +HETATM 1033 C1 HMW A 87 32.163 -19.225 12.821 1.00 0.00 C +HETATM 1034 C2 HMW A 87 32.285 -19.659 14.284 1.00 0.00 C +HETATM 1035 C3 HMW A 87 32.111 -18.426 15.182 1.00 0.00 C +HETATM 1036 O1 HMW A 87 30.773 -17.990 15.327 1.00 0.00 O +HETATM 1037 H1 HMW A 87 32.302 -19.992 12.059 1.00 0.00 H +HETATM 1038 H2 HMW A 87 31.150 -18.845 12.688 1.00 0.00 H +HETATM 1039 H3 HMW A 87 32.977 -18.538 12.587 1.00 0.00 H +HETATM 1040 H4 HMW A 87 31.498 -20.365 14.549 1.00 0.00 H +HETATM 1041 H5 HMW A 87 33.200 -20.192 14.543 1.00 0.00 H +HETATM 1042 H6 HMW A 87 32.720 -17.599 14.817 1.00 0.00 H +HETATM 1043 H7 HMW A 87 32.609 -18.580 16.139 1.00 0.00 H +HETATM 1044 H8 HMW A 87 30.161 -18.672 15.677 1.00 0.00 H +HETATM 1045 C1 HMW A 88 22.006 39.648 4.924 1.00 0.00 C +HETATM 1046 C2 HMW A 88 21.234 38.299 5.040 1.00 0.00 C +HETATM 1047 C3 HMW A 88 21.333 37.322 3.873 1.00 0.00 C +HETATM 1048 O1 HMW A 88 21.276 37.898 2.546 1.00 0.00 O +HETATM 1049 H1 HMW A 88 21.800 40.249 5.810 1.00 0.00 H +HETATM 1050 H2 HMW A 88 23.074 39.503 5.082 1.00 0.00 H +HETATM 1051 H3 HMW A 88 21.784 40.117 3.964 1.00 0.00 H +HETATM 1052 H4 HMW A 88 21.539 37.905 6.009 1.00 0.00 H +HETATM 1053 H5 HMW A 88 20.205 38.633 5.171 1.00 0.00 H +HETATM 1054 H6 HMW A 88 20.544 36.600 4.083 1.00 0.00 H +HETATM 1055 H7 HMW A 88 22.238 36.724 3.977 1.00 0.00 H +HETATM 1056 H8 HMW A 88 21.202 37.227 1.833 1.00 0.00 H +HETATM 1057 C1 HMW A 89 -9.973 29.289 45.679 1.00 0.00 C +HETATM 1058 C2 HMW A 89 -8.876 30.421 45.730 1.00 0.00 C +HETATM 1059 C3 HMW A 89 -9.442 31.820 45.432 1.00 0.00 C +HETATM 1060 O1 HMW A 89 -8.442 32.763 45.040 1.00 0.00 O +HETATM 1061 H1 HMW A 89 -9.690 28.345 46.144 1.00 0.00 H +HETATM 1062 H2 HMW A 89 -10.818 29.687 46.241 1.00 0.00 H +HETATM 1063 H3 HMW A 89 -10.261 29.100 44.645 1.00 0.00 H +HETATM 1064 H4 HMW A 89 -8.446 30.392 46.731 1.00 0.00 H +HETATM 1065 H5 HMW A 89 -8.011 30.182 45.111 1.00 0.00 H +HETATM 1066 H6 HMW A 89 -10.064 32.144 46.266 1.00 0.00 H +HETATM 1067 H7 HMW A 89 -10.097 31.635 44.580 1.00 0.00 H +HETATM 1068 H8 HMW A 89 -8.876 33.637 44.940 1.00 0.00 H +HETATM 1069 C1 HMW A 90 38.836 -4.770 14.151 1.00 0.00 C +HETATM 1070 C2 HMW A 90 40.350 -4.941 14.158 1.00 0.00 C +HETATM 1071 C3 HMW A 90 40.710 -6.480 14.217 1.00 0.00 C +HETATM 1072 O1 HMW A 90 40.543 -7.032 15.526 1.00 0.00 O +HETATM 1073 H1 HMW A 90 38.491 -5.353 13.298 1.00 0.00 H +HETATM 1074 H2 HMW A 90 38.441 -5.134 15.100 1.00 0.00 H +HETATM 1075 H3 HMW A 90 38.591 -3.711 14.063 1.00 0.00 H +HETATM 1076 H4 HMW A 90 40.617 -4.518 13.189 1.00 0.00 H +HETATM 1077 H5 HMW A 90 40.821 -4.415 14.989 1.00 0.00 H +HETATM 1078 H6 HMW A 90 41.764 -6.480 13.936 1.00 0.00 H +HETATM 1079 H7 HMW A 90 40.227 -6.972 13.373 1.00 0.00 H +HETATM 1080 H8 HMW A 90 40.662 -6.426 16.289 1.00 0.00 H +HETATM 1081 C1 HMW A 91 8.965 5.937 19.512 1.00 0.00 C +HETATM 1082 C2 HMW A 91 10.171 4.900 19.450 1.00 0.00 C +HETATM 1083 C3 HMW A 91 9.573 3.461 19.415 1.00 0.00 C +HETATM 1084 O1 HMW A 91 8.535 3.428 18.432 1.00 0.00 O +HETATM 1085 H1 HMW A 91 8.372 5.845 18.602 1.00 0.00 H +HETATM 1086 H2 HMW A 91 8.344 5.762 20.391 1.00 0.00 H +HETATM 1087 H3 HMW A 91 9.434 6.920 19.472 1.00 0.00 H +HETATM 1088 H4 HMW A 91 10.812 5.092 18.589 1.00 0.00 H +HETATM 1089 H5 HMW A 91 10.777 4.982 20.353 1.00 0.00 H +HETATM 1090 H6 HMW A 91 9.169 3.208 20.395 1.00 0.00 H +HETATM 1091 H7 HMW A 91 10.364 2.755 19.160 1.00 0.00 H +HETATM 1092 H8 HMW A 91 8.819 3.668 17.524 1.00 0.00 H +HETATM 1093 C1 HMW A 92 18.547 -28.347 1.264 1.00 0.00 C +HETATM 1094 C2 HMW A 92 17.719 -28.620 2.529 1.00 0.00 C +HETATM 1095 C3 HMW A 92 16.561 -29.539 1.993 1.00 0.00 C +HETATM 1096 O1 HMW A 92 15.613 -29.653 3.108 1.00 0.00 O +HETATM 1097 H1 HMW A 92 18.003 -27.758 0.525 1.00 0.00 H +HETATM 1098 H2 HMW A 92 19.486 -27.819 1.426 1.00 0.00 H +HETATM 1099 H3 HMW A 92 18.786 -29.287 0.768 1.00 0.00 H +HETATM 1100 H4 HMW A 92 18.388 -29.089 3.251 1.00 0.00 H +HETATM 1101 H5 HMW A 92 17.276 -27.728 2.973 1.00 0.00 H +HETATM 1102 H6 HMW A 92 17.020 -30.506 1.787 1.00 0.00 H +HETATM 1103 H7 HMW A 92 16.098 -29.218 1.059 1.00 0.00 H +HETATM 1104 H8 HMW A 92 16.034 -30.004 3.921 1.00 0.00 H +HETATM 1105 C1 HMW A 93 -0.708 9.217 40.564 1.00 0.00 C +HETATM 1106 C2 HMW A 93 0.639 9.697 41.102 1.00 0.00 C +HETATM 1107 C3 HMW A 93 0.614 10.163 42.602 1.00 0.00 C +HETATM 1108 O1 HMW A 93 -0.485 11.057 42.736 1.00 0.00 O +HETATM 1109 H1 HMW A 93 -1.223 8.510 41.214 1.00 0.00 H +HETATM 1110 H2 HMW A 93 -1.428 10.023 40.419 1.00 0.00 H +HETATM 1111 H3 HMW A 93 -0.636 8.756 39.578 1.00 0.00 H +HETATM 1112 H4 HMW A 93 1.403 8.940 40.927 1.00 0.00 H +HETATM 1113 H5 HMW A 93 0.942 10.519 40.453 1.00 0.00 H +HETATM 1114 H6 HMW A 93 1.467 10.747 42.949 1.00 0.00 H +HETATM 1115 H7 HMW A 93 0.621 9.294 43.260 1.00 0.00 H +HETATM 1116 H8 HMW A 93 -0.548 11.645 41.953 1.00 0.00 H +HETATM 1117 C1 HMW A 94 12.236 -29.317 3.712 1.00 0.00 C +HETATM 1118 C2 HMW A 94 11.442 -30.261 2.763 1.00 0.00 C +HETATM 1119 C3 HMW A 94 11.523 -31.704 3.253 1.00 0.00 C +HETATM 1120 O1 HMW A 94 10.973 -31.929 4.502 1.00 0.00 O +HETATM 1121 H1 HMW A 94 11.779 -29.303 4.702 1.00 0.00 H +HETATM 1122 H2 HMW A 94 13.247 -29.684 3.891 1.00 0.00 H +HETATM 1123 H3 HMW A 94 12.155 -28.305 3.314 1.00 0.00 H +HETATM 1124 H4 HMW A 94 10.438 -29.852 2.652 1.00 0.00 H +HETATM 1125 H5 HMW A 94 11.904 -30.078 1.793 1.00 0.00 H +HETATM 1126 H6 HMW A 94 12.574 -31.989 3.282 1.00 0.00 H +HETATM 1127 H7 HMW A 94 11.131 -32.338 2.458 1.00 0.00 H +HETATM 1128 H8 HMW A 94 10.044 -31.625 4.580 1.00 0.00 H +HETATM 1129 C1 HMW A 95 32.307 50.482 17.618 1.00 0.00 C +HETATM 1130 C2 HMW A 95 31.417 51.745 17.635 1.00 0.00 C +HETATM 1131 C3 HMW A 95 29.966 51.358 17.834 1.00 0.00 C +HETATM 1132 O1 HMW A 95 29.719 50.643 18.956 1.00 0.00 O +HETATM 1133 H1 HMW A 95 32.239 50.085 18.631 1.00 0.00 H +HETATM 1134 H2 HMW A 95 31.924 49.769 16.887 1.00 0.00 H +HETATM 1135 H3 HMW A 95 33.336 50.779 17.417 1.00 0.00 H +HETATM 1136 H4 HMW A 95 31.774 52.443 18.392 1.00 0.00 H +HETATM 1137 H5 HMW A 95 31.572 52.305 16.713 1.00 0.00 H +HETATM 1138 H6 HMW A 95 29.667 50.813 16.938 1.00 0.00 H +HETATM 1139 H7 HMW A 95 29.396 52.279 17.950 1.00 0.00 H +HETATM 1140 H8 HMW A 95 30.151 50.983 19.769 1.00 0.00 H +HETATM 1141 C1 HMW A 96 24.067 -8.600 -0.743 1.00 0.00 C +HETATM 1142 C2 HMW A 96 23.108 -8.765 -1.906 1.00 0.00 C +HETATM 1143 C3 HMW A 96 22.328 -10.097 -1.943 1.00 0.00 C +HETATM 1144 O1 HMW A 96 21.278 -10.139 -0.972 1.00 0.00 O +HETATM 1145 H1 HMW A 96 24.794 -7.847 -1.049 1.00 0.00 H +HETATM 1146 H2 HMW A 96 23.451 -8.344 0.119 1.00 0.00 H +HETATM 1147 H3 HMW A 96 24.652 -9.491 -0.517 1.00 0.00 H +HETATM 1148 H4 HMW A 96 22.370 -7.963 -1.930 1.00 0.00 H +HETATM 1149 H5 HMW A 96 23.714 -8.683 -2.809 1.00 0.00 H +HETATM 1150 H6 HMW A 96 23.117 -10.782 -1.634 1.00 0.00 H +HETATM 1151 H7 HMW A 96 22.043 -10.356 -2.963 1.00 0.00 H +HETATM 1152 H8 HMW A 96 21.676 -10.426 -0.122 1.00 0.00 H +HETATM 1153 C1 HMW A 97 11.200 7.156 22.397 1.00 0.00 C +HETATM 1154 C2 HMW A 97 10.542 8.570 22.359 1.00 0.00 C +HETATM 1155 C3 HMW A 97 9.986 8.651 23.848 1.00 0.00 C +HETATM 1156 O1 HMW A 97 9.404 9.918 24.128 1.00 0.00 O +HETATM 1157 H1 HMW A 97 10.471 6.361 22.550 1.00 0.00 H +HETATM 1158 H2 HMW A 97 11.507 6.972 21.367 1.00 0.00 H +HETATM 1159 H3 HMW A 97 12.061 7.071 23.061 1.00 0.00 H +HETATM 1160 H4 HMW A 97 11.370 9.255 22.176 1.00 0.00 H +HETATM 1161 H5 HMW A 97 9.772 8.696 21.597 1.00 0.00 H +HETATM 1162 H6 HMW A 97 10.879 8.562 24.466 1.00 0.00 H +HETATM 1163 H7 HMW A 97 9.329 7.836 24.151 1.00 0.00 H +HETATM 1164 H8 HMW A 97 10.065 10.638 24.219 1.00 0.00 H +HETATM 1165 C1 HMW A 98 30.006 4.605 -3.771 1.00 0.00 C +HETATM 1166 C2 HMW A 98 31.490 4.270 -3.472 1.00 0.00 C +HETATM 1167 C3 HMW A 98 31.748 2.772 -3.387 1.00 0.00 C +HETATM 1168 O1 HMW A 98 30.842 2.142 -2.458 1.00 0.00 O +HETATM 1169 H1 HMW A 98 29.831 5.677 -3.867 1.00 0.00 H +HETATM 1170 H2 HMW A 98 29.716 4.161 -4.724 1.00 0.00 H +HETATM 1171 H3 HMW A 98 29.394 4.277 -2.931 1.00 0.00 H +HETATM 1172 H4 HMW A 98 32.093 4.717 -4.262 1.00 0.00 H +HETATM 1173 H5 HMW A 98 31.808 4.656 -2.503 1.00 0.00 H +HETATM 1174 H6 HMW A 98 32.796 2.558 -3.179 1.00 0.00 H +HETATM 1175 H7 HMW A 98 31.600 2.379 -4.393 1.00 0.00 H +HETATM 1176 H8 HMW A 98 29.952 2.011 -2.849 1.00 0.00 H +HETATM 1177 C1 HMW A 99 6.300 31.202 15.539 1.00 0.00 C +HETATM 1178 C2 HMW A 99 5.753 30.654 14.203 1.00 0.00 C +HETATM 1179 C3 HMW A 99 6.710 29.809 13.387 1.00 0.00 C +HETATM 1180 O1 HMW A 99 7.852 30.508 13.086 1.00 0.00 O +HETATM 1181 H1 HMW A 99 6.652 30.383 16.167 1.00 0.00 H +HETATM 1182 H2 HMW A 99 7.198 31.780 15.318 1.00 0.00 H +HETATM 1183 H3 HMW A 99 5.572 31.860 16.014 1.00 0.00 H +HETATM 1184 H4 HMW A 99 4.898 30.032 14.469 1.00 0.00 H +HETATM 1185 H5 HMW A 99 5.442 31.513 13.607 1.00 0.00 H +HETATM 1186 H6 HMW A 99 6.337 29.547 12.397 1.00 0.00 H +HETATM 1187 H7 HMW A 99 6.997 28.927 13.961 1.00 0.00 H +HETATM 1188 H8 HMW A 99 7.693 31.255 12.470 1.00 0.00 H +HETATM 1189 C1 HMW A 100 22.753 5.751 -3.988 1.00 0.00 C +HETATM 1190 C2 HMW A 100 22.371 4.351 -3.471 1.00 0.00 C +HETATM 1191 C3 HMW A 100 22.330 3.340 -4.654 1.00 0.00 C +HETATM 1192 O1 HMW A 100 21.288 3.535 -5.569 1.00 0.00 O +HETATM 1193 H1 HMW A 100 23.627 5.659 -4.633 1.00 0.00 H +HETATM 1194 H2 HMW A 100 21.926 6.205 -4.535 1.00 0.00 H +HETATM 1195 H3 HMW A 100 23.024 6.409 -3.161 1.00 0.00 H +HETATM 1196 H4 HMW A 100 23.184 4.068 -2.802 1.00 0.00 H +HETATM 1197 H5 HMW A 100 21.470 4.495 -2.874 1.00 0.00 H +HETATM 1198 H6 HMW A 100 22.072 2.415 -4.138 1.00 0.00 H +HETATM 1199 H7 HMW A 100 23.269 3.290 -5.205 1.00 0.00 H +HETATM 1200 H8 HMW A 100 20.420 3.689 -5.138 1.00 0.00 H +HETATM 1201 C1 HMW A 101 10.845 -1.228 23.672 1.00 0.00 C +HETATM 1202 C2 HMW A 101 9.967 -0.108 24.418 1.00 0.00 C +HETATM 1203 C3 HMW A 101 10.046 1.302 23.882 1.00 0.00 C +HETATM 1204 O1 HMW A 101 9.292 1.458 22.727 1.00 0.00 O +HETATM 1205 H1 HMW A 101 10.387 -1.667 22.785 1.00 0.00 H +HETATM 1206 H2 HMW A 101 11.807 -0.809 23.377 1.00 0.00 H +HETATM 1207 H3 HMW A 101 11.184 -2.030 24.329 1.00 0.00 H +HETATM 1208 H4 HMW A 101 8.907 -0.359 24.393 1.00 0.00 H +HETATM 1209 H5 HMW A 101 10.234 -0.059 25.473 1.00 0.00 H +HETATM 1210 H6 HMW A 101 11.055 1.703 23.783 1.00 0.00 H +HETATM 1211 H7 HMW A 101 9.659 2.002 24.623 1.00 0.00 H +HETATM 1212 H8 HMW A 101 9.514 0.737 22.098 1.00 0.00 H +HETATM 1213 C1 HMW A 102 -2.575 3.766 4.099 1.00 0.00 C +HETATM 1214 C2 HMW A 102 -1.565 2.703 3.652 1.00 0.00 C +HETATM 1215 C3 HMW A 102 -2.266 1.492 2.896 1.00 0.00 C +HETATM 1216 O1 HMW A 102 -3.365 0.876 3.538 1.00 0.00 O +HETATM 1217 H1 HMW A 102 -3.058 4.297 3.279 1.00 0.00 H +HETATM 1218 H2 HMW A 102 -3.300 3.316 4.778 1.00 0.00 H +HETATM 1219 H3 HMW A 102 -1.987 4.469 4.689 1.00 0.00 H +HETATM 1220 H4 HMW A 102 -0.882 3.227 2.984 1.00 0.00 H +HETATM 1221 H5 HMW A 102 -1.089 2.385 4.579 1.00 0.00 H +HETATM 1222 H6 HMW A 102 -1.446 0.804 2.686 1.00 0.00 H +HETATM 1223 H7 HMW A 102 -2.576 1.772 1.889 1.00 0.00 H +HETATM 1224 H8 HMW A 102 -3.155 0.150 4.164 1.00 0.00 H +HETATM 1225 C1 HMW A 103 7.134 0.856 10.165 1.00 0.00 C +HETATM 1226 C2 HMW A 103 6.099 1.001 9.129 1.00 0.00 C +HETATM 1227 C3 HMW A 103 4.715 1.267 9.726 1.00 0.00 C +HETATM 1228 O1 HMW A 103 4.038 0.074 10.045 1.00 0.00 O +HETATM 1229 H1 HMW A 103 8.129 0.664 9.764 1.00 0.00 H +HETATM 1230 H2 HMW A 103 7.277 1.762 10.754 1.00 0.00 H +HETATM 1231 H3 HMW A 103 6.954 0.011 10.831 1.00 0.00 H +HETATM 1232 H4 HMW A 103 6.579 1.782 8.539 1.00 0.00 H +HETATM 1233 H5 HMW A 103 5.966 0.144 8.468 1.00 0.00 H +HETATM 1234 H6 HMW A 103 4.211 1.753 8.891 1.00 0.00 H +HETATM 1235 H7 HMW A 103 4.765 1.935 10.586 1.00 0.00 H +HETATM 1236 H8 HMW A 103 3.082 0.263 10.161 1.00 0.00 H +HETATM 1237 C1 HMW A 104 48.993 -1.375 23.055 1.00 0.00 C +HETATM 1238 C2 HMW A 104 50.425 -1.703 22.836 1.00 0.00 C +HETATM 1239 C3 HMW A 104 51.167 -0.372 22.771 1.00 0.00 C +HETATM 1240 O1 HMW A 104 50.988 0.345 21.570 1.00 0.00 O +HETATM 1241 H1 HMW A 104 48.510 -2.328 23.272 1.00 0.00 H +HETATM 1242 H2 HMW A 104 48.827 -0.611 23.814 1.00 0.00 H +HETATM 1243 H3 HMW A 104 48.588 -0.970 22.127 1.00 0.00 H +HETATM 1244 H4 HMW A 104 50.806 -2.248 23.700 1.00 0.00 H +HETATM 1245 H5 HMW A 104 50.660 -2.297 21.953 1.00 0.00 H +HETATM 1246 H6 HMW A 104 52.253 -0.457 22.805 1.00 0.00 H +HETATM 1247 H7 HMW A 104 50.897 0.273 23.607 1.00 0.00 H +HETATM 1248 H8 HMW A 104 51.576 -0.001 20.865 1.00 0.00 H +HETATM 1249 C1 HMW A 105 11.178 -25.893 16.239 1.00 0.00 C +HETATM 1250 C2 HMW A 105 11.588 -24.972 14.947 1.00 0.00 C +HETATM 1251 C3 HMW A 105 11.188 -23.569 15.113 1.00 0.00 C +HETATM 1252 O1 HMW A 105 9.820 -23.399 15.533 1.00 0.00 O +HETATM 1253 H1 HMW A 105 10.095 -25.994 16.170 1.00 0.00 H +HETATM 1254 H2 HMW A 105 11.571 -26.906 16.323 1.00 0.00 H +HETATM 1255 H3 HMW A 105 11.498 -25.450 17.182 1.00 0.00 H +HETATM 1256 H4 HMW A 105 12.635 -25.136 14.690 1.00 0.00 H +HETATM 1257 H5 HMW A 105 11.019 -25.366 14.105 1.00 0.00 H +HETATM 1258 H6 HMW A 105 11.273 -23.094 14.136 1.00 0.00 H +HETATM 1259 H7 HMW A 105 11.931 -23.017 15.689 1.00 0.00 H +HETATM 1260 H8 HMW A 105 9.221 -23.702 14.817 1.00 0.00 H +HETATM 1261 C1 HMW A 106 -12.700 -1.098 40.588 1.00 0.00 C +HETATM 1262 C2 HMW A 106 -13.191 -1.598 39.256 1.00 0.00 C +HETATM 1263 C3 HMW A 106 -12.810 -0.541 38.216 1.00 0.00 C +HETATM 1264 O1 HMW A 106 -11.360 -0.368 38.065 1.00 0.00 O +HETATM 1265 H1 HMW A 106 -12.968 -1.814 41.365 1.00 0.00 H +HETATM 1266 H2 HMW A 106 -11.613 -1.176 40.603 1.00 0.00 H +HETATM 1267 H3 HMW A 106 -13.055 -0.088 40.796 1.00 0.00 H +HETATM 1268 H4 HMW A 106 -12.735 -2.547 38.976 1.00 0.00 H +HETATM 1269 H5 HMW A 106 -14.281 -1.624 39.268 1.00 0.00 H +HETATM 1270 H6 HMW A 106 -13.341 0.403 38.341 1.00 0.00 H +HETATM 1271 H7 HMW A 106 -13.169 -0.881 37.245 1.00 0.00 H +HETATM 1272 H8 HMW A 106 -10.935 -0.025 38.880 1.00 0.00 H +HETATM 1273 C1 HMW A 107 1.766 17.515 5.791 1.00 0.00 C +HETATM 1274 C2 HMW A 107 1.658 18.429 4.606 1.00 0.00 C +HETATM 1275 C3 HMW A 107 2.863 18.442 3.755 1.00 0.00 C +HETATM 1276 O1 HMW A 107 2.762 19.286 2.620 1.00 0.00 O +HETATM 1277 H1 HMW A 107 2.038 16.479 5.590 1.00 0.00 H +HETATM 1278 H2 HMW A 107 2.562 17.876 6.443 1.00 0.00 H +HETATM 1279 H3 HMW A 107 0.879 17.642 6.412 1.00 0.00 H +HETATM 1280 H4 HMW A 107 0.766 18.168 4.036 1.00 0.00 H +HETATM 1281 H5 HMW A 107 1.550 19.457 4.951 1.00 0.00 H +HETATM 1282 H6 HMW A 107 3.001 17.421 3.399 1.00 0.00 H +HETATM 1283 H7 HMW A 107 3.732 18.749 4.338 1.00 0.00 H +HETATM 1284 H8 HMW A 107 2.774 20.232 2.881 1.00 0.00 H +HETATM 1285 C1 HMW A 108 10.255 2.732 10.699 1.00 0.00 C +HETATM 1286 C2 HMW A 108 10.367 2.618 9.147 1.00 0.00 C +HETATM 1287 C3 HMW A 108 11.176 1.407 8.626 1.00 0.00 C +HETATM 1288 O1 HMW A 108 12.561 1.709 8.707 1.00 0.00 O +HETATM 1289 H1 HMW A 108 9.724 1.833 11.013 1.00 0.00 H +HETATM 1290 H2 HMW A 108 11.213 2.625 11.208 1.00 0.00 H +HETATM 1291 H3 HMW A 108 9.751 3.619 11.083 1.00 0.00 H +HETATM 1292 H4 HMW A 108 9.343 2.637 8.774 1.00 0.00 H +HETATM 1293 H5 HMW A 108 10.757 3.530 8.694 1.00 0.00 H +HETATM 1294 H6 HMW A 108 10.900 1.190 7.593 1.00 0.00 H +HETATM 1295 H7 HMW A 108 10.965 0.444 9.090 1.00 0.00 H +HETATM 1296 H8 HMW A 108 13.054 1.000 8.241 1.00 0.00 H +HETATM 1297 C1 HMW A 109 9.471 31.651 6.101 1.00 0.00 C +HETATM 1298 C2 HMW A 109 9.360 30.539 5.082 1.00 0.00 C +HETATM 1299 C3 HMW A 109 7.966 29.945 5.102 1.00 0.00 C +HETATM 1300 O1 HMW A 109 7.174 30.833 4.556 1.00 0.00 O +HETATM 1301 H1 HMW A 109 10.516 31.922 6.255 1.00 0.00 H +HETATM 1302 H2 HMW A 109 8.948 32.507 5.675 1.00 0.00 H +HETATM 1303 H3 HMW A 109 8.923 31.333 6.989 1.00 0.00 H +HETATM 1304 H4 HMW A 109 9.603 30.890 4.079 1.00 0.00 H +HETATM 1305 H5 HMW A 109 10.019 29.726 5.385 1.00 0.00 H +HETATM 1306 H6 HMW A 109 7.590 29.595 6.063 1.00 0.00 H +HETATM 1307 H7 HMW A 109 7.932 29.063 4.462 1.00 0.00 H +HETATM 1308 H8 HMW A 109 7.620 31.254 3.790 1.00 0.00 H +HETATM 1309 C1 HMW A 110 49.407 20.141 21.933 1.00 0.00 C +HETATM 1310 C2 HMW A 110 50.500 19.295 21.269 1.00 0.00 C +HETATM 1311 C3 HMW A 110 49.915 18.031 20.621 1.00 0.00 C +HETATM 1312 O1 HMW A 110 49.130 18.421 19.464 1.00 0.00 O +HETATM 1313 H1 HMW A 110 48.792 19.533 22.596 1.00 0.00 H +HETATM 1314 H2 HMW A 110 49.918 20.976 22.412 1.00 0.00 H +HETATM 1315 H3 HMW A 110 48.780 20.525 21.127 1.00 0.00 H +HETATM 1316 H4 HMW A 110 50.950 19.850 20.445 1.00 0.00 H +HETATM 1317 H5 HMW A 110 51.277 19.047 21.992 1.00 0.00 H +HETATM 1318 H6 HMW A 110 49.371 17.455 21.369 1.00 0.00 H +HETATM 1319 H7 HMW A 110 50.781 17.417 20.371 1.00 0.00 H +HETATM 1320 H8 HMW A 110 49.660 19.051 18.931 1.00 0.00 H +HETATM 1321 C1 HMW A 111 26.680 -9.091 21.876 1.00 0.00 C +HETATM 1322 C2 HMW A 111 27.837 -10.078 21.983 1.00 0.00 C +HETATM 1323 C3 HMW A 111 27.312 -11.524 22.292 1.00 0.00 C +HETATM 1324 O1 HMW A 111 26.581 -12.031 21.170 1.00 0.00 O +HETATM 1325 H1 HMW A 111 26.172 -9.163 22.838 1.00 0.00 H +HETATM 1326 H2 HMW A 111 27.116 -8.117 21.650 1.00 0.00 H +HETATM 1327 H3 HMW A 111 25.984 -9.497 21.141 1.00 0.00 H +HETATM 1328 H4 HMW A 111 28.439 -10.090 21.075 1.00 0.00 H +HETATM 1329 H5 HMW A 111 28.496 -9.799 22.805 1.00 0.00 H +HETATM 1330 H6 HMW A 111 26.643 -11.465 23.151 1.00 0.00 H +HETATM 1331 H7 HMW A 111 28.195 -12.122 22.517 1.00 0.00 H +HETATM 1332 H8 HMW A 111 27.032 -11.744 20.347 1.00 0.00 H +HETATM 1333 C1 HMW A 112 26.710 -5.313 -1.897 1.00 0.00 C +HETATM 1334 C2 HMW A 112 25.625 -4.417 -2.450 1.00 0.00 C +HETATM 1335 C3 HMW A 112 25.489 -4.535 -3.938 1.00 0.00 C +HETATM 1336 O1 HMW A 112 26.347 -3.620 -4.598 1.00 0.00 O +HETATM 1337 H1 HMW A 112 27.713 -5.084 -2.257 1.00 0.00 H +HETATM 1338 H2 HMW A 112 26.680 -5.392 -0.810 1.00 0.00 H +HETATM 1339 H3 HMW A 112 26.515 -6.350 -2.174 1.00 0.00 H +HETATM 1340 H4 HMW A 112 24.698 -4.664 -1.932 1.00 0.00 H +HETATM 1341 H5 HMW A 112 25.870 -3.391 -2.177 1.00 0.00 H +HETATM 1342 H6 HMW A 112 24.479 -4.363 -4.308 1.00 0.00 H +HETATM 1343 H7 HMW A 112 25.739 -5.583 -4.101 1.00 0.00 H +HETATM 1344 H8 HMW A 112 26.221 -3.606 -5.570 1.00 0.00 H +HETATM 1345 C1 HMW A 113 17.015 12.124 2.951 1.00 0.00 C +HETATM 1346 C2 HMW A 113 18.298 11.611 2.229 1.00 0.00 C +HETATM 1347 C3 HMW A 113 18.232 10.910 0.851 1.00 0.00 C +HETATM 1348 O1 HMW A 113 17.269 11.475 -0.007 1.00 0.00 O +HETATM 1349 H1 HMW A 113 16.532 12.923 2.388 1.00 0.00 H +HETATM 1350 H2 HMW A 113 16.284 11.331 3.105 1.00 0.00 H +HETATM 1351 H3 HMW A 113 17.236 12.464 3.963 1.00 0.00 H +HETATM 1352 H4 HMW A 113 18.940 12.442 1.939 1.00 0.00 H +HETATM 1353 H5 HMW A 113 18.828 11.087 3.025 1.00 0.00 H +HETATM 1354 H6 HMW A 113 17.963 9.874 1.058 1.00 0.00 H +HETATM 1355 H7 HMW A 113 19.239 10.901 0.431 1.00 0.00 H +HETATM 1356 H8 HMW A 113 17.488 12.394 -0.271 1.00 0.00 H +HETATM 1357 C1 HMW A 114 21.832 21.603 -0.373 1.00 0.00 C +HETATM 1358 C2 HMW A 114 20.677 21.388 0.627 1.00 0.00 C +HETATM 1359 C3 HMW A 114 20.024 19.996 0.544 1.00 0.00 C +HETATM 1360 O1 HMW A 114 19.618 19.867 -0.769 1.00 0.00 O +HETATM 1361 H1 HMW A 114 22.247 22.609 -0.306 1.00 0.00 H +HETATM 1362 H2 HMW A 114 22.580 20.866 -0.078 1.00 0.00 H +HETATM 1363 H3 HMW A 114 21.500 21.305 -1.367 1.00 0.00 H +HETATM 1364 H4 HMW A 114 21.040 21.430 1.654 1.00 0.00 H +HETATM 1365 H5 HMW A 114 19.889 22.142 0.607 1.00 0.00 H +HETATM 1366 H6 HMW A 114 19.134 20.030 1.173 1.00 0.00 H +HETATM 1367 H7 HMW A 114 20.775 19.283 0.886 1.00 0.00 H +HETATM 1368 H8 HMW A 114 19.089 19.056 -0.930 1.00 0.00 H +HETATM 1369 C1 HMW A 115 23.113 17.449 4.469 1.00 0.00 C +HETATM 1370 C2 HMW A 115 22.909 17.242 2.956 1.00 0.00 C +HETATM 1371 C3 HMW A 115 22.798 15.779 2.584 1.00 0.00 C +HETATM 1372 O1 HMW A 115 22.231 15.518 1.244 1.00 0.00 O +HETATM 1373 H1 HMW A 115 22.141 17.286 4.935 1.00 0.00 H +HETATM 1374 H2 HMW A 115 23.812 16.707 4.856 1.00 0.00 H +HETATM 1375 H3 HMW A 115 23.408 18.456 4.765 1.00 0.00 H +HETATM 1376 H4 HMW A 115 21.985 17.769 2.721 1.00 0.00 H +HETATM 1377 H5 HMW A 115 23.688 17.760 2.397 1.00 0.00 H +HETATM 1378 H6 HMW A 115 22.147 15.337 3.338 1.00 0.00 H +HETATM 1379 H7 HMW A 115 23.804 15.362 2.542 1.00 0.00 H +HETATM 1380 H8 HMW A 115 22.358 14.558 1.085 1.00 0.00 H +HETATM 1381 C1 HMW A 116 33.104 35.428 -2.803 1.00 0.00 C +HETATM 1382 C2 HMW A 116 31.637 35.255 -3.208 1.00 0.00 C +HETATM 1383 C3 HMW A 116 31.485 35.943 -4.575 1.00 0.00 C +HETATM 1384 O1 HMW A 116 30.200 35.566 -5.170 1.00 0.00 O +HETATM 1385 H1 HMW A 116 33.380 36.472 -2.652 1.00 0.00 H +HETATM 1386 H2 HMW A 116 33.244 34.785 -1.934 1.00 0.00 H +HETATM 1387 H3 HMW A 116 33.712 35.117 -3.652 1.00 0.00 H +HETATM 1388 H4 HMW A 116 31.370 34.198 -3.231 1.00 0.00 H +HETATM 1389 H5 HMW A 116 30.995 35.800 -2.515 1.00 0.00 H +HETATM 1390 H6 HMW A 116 32.328 35.663 -5.208 1.00 0.00 H +HETATM 1391 H7 HMW A 116 31.591 37.027 -4.518 1.00 0.00 H +HETATM 1392 H8 HMW A 116 29.539 35.692 -4.456 1.00 0.00 H +HETATM 1393 C1 HMW A 117 29.534 12.852 24.608 1.00 0.00 C +HETATM 1394 C2 HMW A 117 28.395 11.831 25.039 1.00 0.00 C +HETATM 1395 C3 HMW A 117 27.377 11.726 23.950 1.00 0.00 C +HETATM 1396 O1 HMW A 117 27.986 11.026 22.831 1.00 0.00 O +HETATM 1397 H1 HMW A 117 29.864 12.470 23.641 1.00 0.00 H +HETATM 1398 H2 HMW A 117 29.127 13.843 24.403 1.00 0.00 H +HETATM 1399 H3 HMW A 117 30.292 12.948 25.385 1.00 0.00 H +HETATM 1400 H4 HMW A 117 28.804 10.862 25.325 1.00 0.00 H +HETATM 1401 H5 HMW A 117 27.910 12.225 25.932 1.00 0.00 H +HETATM 1402 H6 HMW A 117 27.061 12.675 23.518 1.00 0.00 H +HETATM 1403 H7 HMW A 117 26.518 11.168 24.323 1.00 0.00 H +HETATM 1404 H8 HMW A 117 28.167 10.093 23.075 1.00 0.00 H +HETATM 1405 C1 HMW A 118 38.239 -15.834 -7.052 1.00 0.00 C +HETATM 1406 C2 HMW A 118 37.117 -16.526 -7.765 1.00 0.00 C +HETATM 1407 C3 HMW A 118 37.245 -16.270 -9.287 1.00 0.00 C +HETATM 1408 O1 HMW A 118 36.123 -16.988 -9.921 1.00 0.00 O +HETATM 1409 H1 HMW A 118 38.293 -14.822 -7.455 1.00 0.00 H +HETATM 1410 H2 HMW A 118 38.039 -15.783 -5.982 1.00 0.00 H +HETATM 1411 H3 HMW A 118 39.230 -16.275 -7.159 1.00 0.00 H +HETATM 1412 H4 HMW A 118 37.086 -17.604 -7.610 1.00 0.00 H +HETATM 1413 H5 HMW A 118 36.177 -16.107 -7.406 1.00 0.00 H +HETATM 1414 H6 HMW A 118 38.207 -16.758 -9.446 1.00 0.00 H +HETATM 1415 H7 HMW A 118 37.312 -15.214 -9.549 1.00 0.00 H +HETATM 1416 H8 HMW A 118 35.305 -16.871 -9.393 1.00 0.00 H +HETATM 1417 C1 HMW A 119 51.062 -11.703 17.355 1.00 0.00 C +HETATM 1418 C2 HMW A 119 50.248 -11.842 16.162 1.00 0.00 C +HETATM 1419 C3 HMW A 119 50.093 -10.591 15.295 1.00 0.00 C +HETATM 1420 O1 HMW A 119 49.127 -10.863 14.188 1.00 0.00 O +HETATM 1421 H1 HMW A 119 51.017 -12.674 17.848 1.00 0.00 H +HETATM 1422 H2 HMW A 119 52.055 -11.452 16.984 1.00 0.00 H +HETATM 1423 H3 HMW A 119 50.721 -10.837 17.923 1.00 0.00 H +HETATM 1424 H4 HMW A 119 50.690 -12.651 15.580 1.00 0.00 H +HETATM 1425 H5 HMW A 119 49.246 -12.190 16.413 1.00 0.00 H +HETATM 1426 H6 HMW A 119 51.051 -10.423 14.802 1.00 0.00 H +HETATM 1427 H7 HMW A 119 49.716 -9.750 15.877 1.00 0.00 H +HETATM 1428 H8 HMW A 119 49.479 -11.545 13.576 1.00 0.00 H +HETATM 1429 C1 HMW A 120 39.433 15.658 39.399 1.00 0.00 C +HETATM 1430 C2 HMW A 120 38.224 16.379 40.015 1.00 0.00 C +HETATM 1431 C3 HMW A 120 38.540 17.696 40.691 1.00 0.00 C +HETATM 1432 O1 HMW A 120 39.450 17.637 41.786 1.00 0.00 O +HETATM 1433 H1 HMW A 120 39.409 15.777 38.315 1.00 0.00 H +HETATM 1434 H2 HMW A 120 40.353 15.969 39.894 1.00 0.00 H +HETATM 1435 H3 HMW A 120 39.403 14.573 39.499 1.00 0.00 H +HETATM 1436 H4 HMW A 120 37.512 16.651 39.236 1.00 0.00 H +HETATM 1437 H5 HMW A 120 37.762 15.708 40.740 1.00 0.00 H +HETATM 1438 H6 HMW A 120 37.597 18.166 40.972 1.00 0.00 H +HETATM 1439 H7 HMW A 120 38.969 18.271 39.870 1.00 0.00 H +HETATM 1440 H8 HMW A 120 39.838 18.513 41.996 1.00 0.00 H +HETATM 1441 C1 HMW A 121 36.930 -8.640 26.420 1.00 0.00 C +HETATM 1442 C2 HMW A 121 35.616 -9.186 26.898 1.00 0.00 C +HETATM 1443 C3 HMW A 121 34.797 -8.027 27.551 1.00 0.00 C +HETATM 1444 O1 HMW A 121 34.356 -7.021 26.537 1.00 0.00 O +HETATM 1445 H1 HMW A 121 37.390 -8.243 27.326 1.00 0.00 H +HETATM 1446 H2 HMW A 121 37.509 -9.468 26.010 1.00 0.00 H +HETATM 1447 H3 HMW A 121 36.780 -7.901 25.634 1.00 0.00 H +HETATM 1448 H4 HMW A 121 35.032 -9.637 26.096 1.00 0.00 H +HETATM 1449 H5 HMW A 121 35.685 -9.930 27.692 1.00 0.00 H +HETATM 1450 H6 HMW A 121 35.405 -7.522 28.302 1.00 0.00 H +HETATM 1451 H7 HMW A 121 33.928 -8.392 28.099 1.00 0.00 H +HETATM 1452 H8 HMW A 121 33.845 -7.355 25.769 1.00 0.00 H +HETATM 1453 C1 HMW A 122 10.753 -29.914 36.089 1.00 0.00 C +HETATM 1454 C2 HMW A 122 9.366 -29.771 36.781 1.00 0.00 C +HETATM 1455 C3 HMW A 122 9.441 -29.885 38.336 1.00 0.00 C +HETATM 1456 O1 HMW A 122 9.458 -31.236 38.790 1.00 0.00 O +HETATM 1457 H1 HMW A 122 11.161 -30.849 36.474 1.00 0.00 H +HETATM 1458 H2 HMW A 122 10.616 -29.877 35.008 1.00 0.00 H +HETATM 1459 H3 HMW A 122 11.381 -29.082 36.407 1.00 0.00 H +HETATM 1460 H4 HMW A 122 8.968 -28.802 36.478 1.00 0.00 H +HETATM 1461 H5 HMW A 122 8.646 -30.469 36.355 1.00 0.00 H +HETATM 1462 H6 HMW A 122 8.474 -29.469 38.620 1.00 0.00 H +HETATM 1463 H7 HMW A 122 10.273 -29.253 38.648 1.00 0.00 H +HETATM 1464 H8 HMW A 122 8.938 -31.832 38.210 1.00 0.00 H +HETATM 1465 C1 HMW A 123 -12.549 19.423 -0.609 1.00 0.00 C +HETATM 1466 C2 HMW A 123 -13.729 20.409 -0.499 1.00 0.00 C +HETATM 1467 C3 HMW A 123 -13.271 21.798 -0.178 1.00 0.00 C +HETATM 1468 O1 HMW A 123 -14.466 22.626 -0.519 1.00 0.00 O +HETATM 1469 H1 HMW A 123 -11.955 19.311 0.298 1.00 0.00 H +HETATM 1470 H2 HMW A 123 -13.028 18.456 -0.762 1.00 0.00 H +HETATM 1471 H3 HMW A 123 -11.893 19.597 -1.462 1.00 0.00 H +HETATM 1472 H4 HMW A 123 -14.204 20.388 -1.480 1.00 0.00 H +HETATM 1473 H5 HMW A 123 -14.332 20.067 0.342 1.00 0.00 H +HETATM 1474 H6 HMW A 123 -12.408 22.088 -0.778 1.00 0.00 H +HETATM 1475 H7 HMW A 123 -12.971 21.907 0.864 1.00 0.00 H +HETATM 1476 H8 HMW A 123 -15.225 22.304 0.013 1.00 0.00 H +HETATM 1477 C1 HMW A 124 3.617 -9.665 14.987 1.00 0.00 C +HETATM 1478 C2 HMW A 124 2.400 -9.577 15.883 1.00 0.00 C +HETATM 1479 C3 HMW A 124 2.508 -8.753 17.098 1.00 0.00 C +HETATM 1480 O1 HMW A 124 1.150 -8.573 17.541 1.00 0.00 O +HETATM 1481 H1 HMW A 124 4.423 -10.132 15.554 1.00 0.00 H +HETATM 1482 H2 HMW A 124 3.466 -10.301 14.114 1.00 0.00 H +HETATM 1483 H3 HMW A 124 4.029 -8.684 14.751 1.00 0.00 H +HETATM 1484 H4 HMW A 124 1.646 -9.125 15.238 1.00 0.00 H +HETATM 1485 H5 HMW A 124 2.070 -10.578 16.159 1.00 0.00 H +HETATM 1486 H6 HMW A 124 2.964 -7.795 16.846 1.00 0.00 H +HETATM 1487 H7 HMW A 124 3.112 -9.276 17.839 1.00 0.00 H +HETATM 1488 H8 HMW A 124 0.626 -8.079 16.876 1.00 0.00 H +HETATM 1489 C1 HMW A 125 -35.218 14.379 61.879 1.00 0.00 C +HETATM 1490 C2 HMW A 125 -34.329 13.262 62.462 1.00 0.00 C +HETATM 1491 C3 HMW A 125 -35.133 12.330 63.416 1.00 0.00 C +HETATM 1492 O1 HMW A 125 -34.298 11.425 64.045 1.00 0.00 O +HETATM 1493 H1 HMW A 125 -36.115 14.051 61.354 1.00 0.00 H +HETATM 1494 H2 HMW A 125 -35.530 15.101 62.634 1.00 0.00 H +HETATM 1495 H3 HMW A 125 -34.629 14.971 61.179 1.00 0.00 H +HETATM 1496 H4 HMW A 125 -33.867 12.663 61.677 1.00 0.00 H +HETATM 1497 H5 HMW A 125 -33.533 13.717 63.050 1.00 0.00 H +HETATM 1498 H6 HMW A 125 -35.815 11.721 62.823 1.00 0.00 H +HETATM 1499 H7 HMW A 125 -35.812 12.796 64.130 1.00 0.00 H +HETATM 1500 H8 HMW A 125 -33.589 11.789 64.617 1.00 0.00 H +HETATM 1501 C1 HMW A 126 33.788 0.091 28.609 1.00 0.00 C +HETATM 1502 C2 HMW A 126 33.645 -0.794 27.355 1.00 0.00 C +HETATM 1503 C3 HMW A 126 33.227 0.089 26.186 1.00 0.00 C +HETATM 1504 O1 HMW A 126 31.933 0.592 26.363 1.00 0.00 O +HETATM 1505 H1 HMW A 126 34.434 0.926 28.338 1.00 0.00 H +HETATM 1506 H2 HMW A 126 32.793 0.470 28.844 1.00 0.00 H +HETATM 1507 H3 HMW A 126 34.242 -0.397 29.472 1.00 0.00 H +HETATM 1508 H4 HMW A 126 34.638 -1.195 27.150 1.00 0.00 H +HETATM 1509 H5 HMW A 126 32.912 -1.598 27.428 1.00 0.00 H +HETATM 1510 H6 HMW A 126 33.274 -0.488 25.262 1.00 0.00 H +HETATM 1511 H7 HMW A 126 33.918 0.932 26.201 1.00 0.00 H +HETATM 1512 H8 HMW A 126 31.661 1.163 25.613 1.00 0.00 H +HETATM 1513 C1 HMW A 127 13.393 2.094 -5.637 1.00 0.00 C +HETATM 1514 C2 HMW A 127 13.386 3.558 -6.140 1.00 0.00 C +HETATM 1515 C3 HMW A 127 14.218 4.497 -5.288 1.00 0.00 C +HETATM 1516 O1 HMW A 127 15.560 3.968 -5.091 1.00 0.00 O +HETATM 1517 H1 HMW A 127 13.249 2.145 -4.557 1.00 0.00 H +HETATM 1518 H2 HMW A 127 12.604 1.531 -6.136 1.00 0.00 H +HETATM 1519 H3 HMW A 127 14.341 1.591 -5.829 1.00 0.00 H +HETATM 1520 H4 HMW A 127 13.774 3.641 -7.155 1.00 0.00 H +HETATM 1521 H5 HMW A 127 12.335 3.835 -6.058 1.00 0.00 H +HETATM 1522 H6 HMW A 127 13.646 4.682 -4.379 1.00 0.00 H +HETATM 1523 H7 HMW A 127 14.222 5.426 -5.858 1.00 0.00 H +HETATM 1524 H8 HMW A 127 16.063 4.630 -4.571 1.00 0.00 H +HETATM 1525 C1 HMW A 128 7.402 12.705 36.628 1.00 0.00 C +HETATM 1526 C2 HMW A 128 7.808 12.212 38.036 1.00 0.00 C +HETATM 1527 C3 HMW A 128 7.447 10.749 38.355 1.00 0.00 C +HETATM 1528 O1 HMW A 128 8.357 9.912 37.638 1.00 0.00 O +HETATM 1529 H1 HMW A 128 6.460 12.220 36.370 1.00 0.00 H +HETATM 1530 H2 HMW A 128 7.269 13.786 36.667 1.00 0.00 H +HETATM 1531 H3 HMW A 128 8.149 12.357 35.915 1.00 0.00 H +HETATM 1532 H4 HMW A 128 8.882 12.297 38.200 1.00 0.00 H +HETATM 1533 H5 HMW A 128 7.241 12.819 38.742 1.00 0.00 H +HETATM 1534 H6 HMW A 128 6.427 10.448 38.115 1.00 0.00 H +HETATM 1535 H7 HMW A 128 7.623 10.665 39.427 1.00 0.00 H +HETATM 1536 H8 HMW A 128 9.299 10.183 37.661 1.00 0.00 H +TER 1537 HMW A 128 +HETATM 1538 O HOH B 1 41.832 24.602 34.439 1.00 0.00 O +HETATM 1539 H1 HOH B 1 41.928 23.856 35.031 1.00 0.00 H +HETATM 1540 H2 HOH B 1 41.072 24.384 33.899 1.00 0.00 H +HETATM 1541 O HOH B 2 6.833 -21.976 64.768 1.00 0.00 O +HETATM 1542 H1 HOH B 2 7.058 -21.080 64.518 1.00 0.00 H +HETATM 1543 H2 HOH B 2 6.600 -22.404 63.944 1.00 0.00 H +HETATM 1544 O HOH B 3 41.513 48.858 35.389 1.00 0.00 O +HETATM 1545 H1 HOH B 3 40.985 48.953 34.596 1.00 0.00 H +HETATM 1546 H2 HOH B 3 42.403 48.711 35.069 1.00 0.00 H +HETATM 1547 O HOH B 4 -8.766 18.840 35.231 1.00 0.00 O +HETATM 1548 H1 HOH B 4 -8.641 19.095 36.145 1.00 0.00 H +HETATM 1549 H2 HOH B 4 -7.977 18.345 35.009 1.00 0.00 H +HETATM 1550 O HOH B 5 -1.771 -28.023 19.816 1.00 0.00 O +HETATM 1551 H1 HOH B 5 -1.474 -28.926 19.702 1.00 0.00 H +HETATM 1552 H2 HOH B 5 -1.786 -27.662 18.929 1.00 0.00 H +HETATM 1553 O HOH B 6 22.556 27.012 19.167 1.00 0.00 O +HETATM 1554 H1 HOH B 6 23.325 27.441 18.792 1.00 0.00 H +HETATM 1555 H2 HOH B 6 22.836 26.734 20.039 1.00 0.00 H +HETATM 1556 O HOH B 7 -7.136 1.856 -13.314 1.00 0.00 O +HETATM 1557 H1 HOH B 7 -7.151 2.776 -13.047 1.00 0.00 H +HETATM 1558 H2 HOH B 7 -7.450 1.864 -14.219 1.00 0.00 H +HETATM 1559 O HOH B 8 18.773 6.401 29.229 1.00 0.00 O +HETATM 1560 H1 HOH B 8 19.603 6.303 28.761 1.00 0.00 H +HETATM 1561 H2 HOH B 8 18.171 6.762 28.578 1.00 0.00 H +HETATM 1562 O HOH B 9 30.518 -5.399 25.126 1.00 0.00 O +HETATM 1563 H1 HOH B 9 30.301 -6.134 25.700 1.00 0.00 H +HETATM 1564 H2 HOH B 9 31.302 -5.684 24.657 1.00 0.00 H +HETATM 1565 O HOH B 10 -3.185 -31.230 -35.695 1.00 0.00 O +HETATM 1566 H1 HOH B 10 -3.481 -32.016 -36.154 1.00 0.00 H +HETATM 1567 H2 HOH B 10 -3.880 -30.589 -35.845 1.00 0.00 H +HETATM 1568 O HOH B 11 -2.417 -0.524 71.200 1.00 0.00 O +HETATM 1569 H1 HOH B 11 -1.571 -0.630 70.766 1.00 0.00 H +HETATM 1570 H2 HOH B 11 -2.933 -1.276 70.908 1.00 0.00 H +HETATM 1571 O HOH B 12 -67.340 -32.941 44.826 1.00 0.00 O +HETATM 1572 H1 HOH B 12 -66.444 -33.189 44.597 1.00 0.00 H +HETATM 1573 H2 HOH B 12 -67.318 -31.986 44.882 1.00 0.00 H +HETATM 1574 O HOH B 13 45.669 -1.406 8.155 1.00 0.00 O +HETATM 1575 H1 HOH B 13 45.025 -0.714 8.004 1.00 0.00 H +HETATM 1576 H2 HOH B 13 46.247 -1.053 8.831 1.00 0.00 H +HETATM 1577 O HOH B 14 -10.136 32.016 -27.700 1.00 0.00 O +HETATM 1578 H1 HOH B 14 -11.066 32.051 -27.475 1.00 0.00 H +HETATM 1579 H2 HOH B 14 -9.766 31.372 -27.096 1.00 0.00 H +HETATM 1580 O HOH B 15 0.231 -29.754 12.472 1.00 0.00 O +HETATM 1581 H1 HOH B 15 -0.583 -29.253 12.528 1.00 0.00 H +HETATM 1582 H2 HOH B 15 -0.053 -30.668 12.425 1.00 0.00 H +HETATM 1583 O HOH B 16 32.868 -5.681 9.101 1.00 0.00 O +HETATM 1584 H1 HOH B 16 32.137 -6.282 8.961 1.00 0.00 H +HETATM 1585 H2 HOH B 16 32.460 -4.877 9.422 1.00 0.00 H +HETATM 1586 O HOH B 17 -30.298 24.070 40.743 1.00 0.00 O +HETATM 1587 H1 HOH B 17 -29.579 24.535 40.315 1.00 0.00 H +HETATM 1588 H2 HOH B 17 -31.083 24.554 40.489 1.00 0.00 H +HETATM 1589 O HOH B 18 -6.028 8.908 -26.356 1.00 0.00 O +HETATM 1590 H1 HOH B 18 -6.652 8.864 -27.081 1.00 0.00 H +HETATM 1591 H2 HOH B 18 -6.049 8.033 -25.969 1.00 0.00 H +HETATM 1592 O HOH B 19 0.090 -5.148 11.626 1.00 0.00 O +HETATM 1593 H1 HOH B 19 -0.478 -5.781 12.066 1.00 0.00 H +HETATM 1594 H2 HOH B 19 0.972 -5.506 11.727 1.00 0.00 H +HETATM 1595 O HOH B 20 6.568 -17.103 18.909 1.00 0.00 O +HETATM 1596 H1 HOH B 20 6.994 -17.354 19.729 1.00 0.00 H +HETATM 1597 H2 HOH B 20 6.218 -16.228 19.078 1.00 0.00 H +HETATM 1598 O HOH B 21 10.780 10.986 33.881 1.00 0.00 O +HETATM 1599 H1 HOH B 21 9.827 11.076 33.859 1.00 0.00 H +HETATM 1600 H2 HOH B 21 11.108 11.875 33.745 1.00 0.00 H +HETATM 1601 O HOH B 22 3.271 36.749 46.511 1.00 0.00 O +HETATM 1602 H1 HOH B 22 3.119 36.349 47.367 1.00 0.00 H +HETATM 1603 H2 HOH B 22 4.140 37.144 46.582 1.00 0.00 H +HETATM 1604 O HOH B 23 -4.383 -2.550 16.106 1.00 0.00 O +HETATM 1605 H1 HOH B 23 -5.126 -3.083 16.388 1.00 0.00 H +HETATM 1606 H2 HOH B 23 -3.979 -3.055 15.400 1.00 0.00 H +HETATM 1607 O HOH B 24 -8.977 -22.427 -22.943 1.00 0.00 O +HETATM 1608 H1 HOH B 24 -9.643 -22.956 -23.381 1.00 0.00 H +HETATM 1609 H2 HOH B 24 -8.887 -21.649 -23.494 1.00 0.00 H +HETATM 1610 O HOH B 25 -5.844 5.460 19.312 1.00 0.00 O +HETATM 1611 H1 HOH B 25 -5.720 4.769 19.964 1.00 0.00 H +HETATM 1612 H2 HOH B 25 -6.711 5.290 18.944 1.00 0.00 H +HETATM 1613 O HOH B 26 35.588 7.322 30.746 1.00 0.00 O +HETATM 1614 H1 HOH B 26 36.544 7.282 30.771 1.00 0.00 H +HETATM 1615 H2 HOH B 26 35.385 8.256 30.789 1.00 0.00 H +HETATM 1616 O HOH B 27 23.977 -6.558 -10.289 1.00 0.00 O +HETATM 1617 H1 HOH B 27 23.622 -6.285 -11.135 1.00 0.00 H +HETATM 1618 H2 HOH B 27 24.913 -6.366 -10.349 1.00 0.00 H +HETATM 1619 O HOH B 28 19.837 26.585 64.594 1.00 0.00 O +HETATM 1620 H1 HOH B 28 19.061 26.306 65.081 1.00 0.00 H +HETATM 1621 H2 HOH B 28 19.853 27.537 64.694 1.00 0.00 H +HETATM 1622 O HOH B 29 11.818 18.177 2.823 1.00 0.00 O +HETATM 1623 H1 HOH B 29 12.490 18.731 2.425 1.00 0.00 H +HETATM 1624 H2 HOH B 29 11.161 18.793 3.148 1.00 0.00 H +HETATM 1625 O HOH B 30 5.281 12.489 18.704 1.00 0.00 O +HETATM 1626 H1 HOH B 30 4.735 13.095 19.205 1.00 0.00 H +HETATM 1627 H2 HOH B 30 4.693 12.130 18.039 1.00 0.00 H +HETATM 1628 O HOH B 31 29.246 14.250 17.164 1.00 0.00 O +HETATM 1629 H1 HOH B 31 29.949 13.747 16.753 1.00 0.00 H +HETATM 1630 H2 HOH B 31 28.907 13.673 17.849 1.00 0.00 H +HETATM 1631 O HOH B 32 3.673 21.587 32.797 1.00 0.00 O +HETATM 1632 H1 HOH B 32 4.529 21.980 32.966 1.00 0.00 H +HETATM 1633 H2 HOH B 32 3.469 21.835 31.895 1.00 0.00 H +HETATM 1634 O HOH B 33 22.888 -4.626 10.329 1.00 0.00 O +HETATM 1635 H1 HOH B 33 22.315 -4.129 9.745 1.00 0.00 H +HETATM 1636 H2 HOH B 33 22.666 -4.313 11.206 1.00 0.00 H +HETATM 1637 O HOH B 34 -7.791 47.154 70.723 1.00 0.00 O +HETATM 1638 H1 HOH B 34 -7.754 46.727 71.579 1.00 0.00 H +HETATM 1639 H2 HOH B 34 -7.568 46.463 70.100 1.00 0.00 H +HETATM 1640 O HOH B 35 -24.277 20.172 11.130 1.00 0.00 O +HETATM 1641 H1 HOH B 35 -23.679 20.785 11.558 1.00 0.00 H +HETATM 1642 H2 HOH B 35 -24.201 20.375 10.197 1.00 0.00 H +HETATM 1643 O HOH B 36 -32.804 29.264 4.036 1.00 0.00 O +HETATM 1644 H1 HOH B 36 -33.117 28.825 4.827 1.00 0.00 H +HETATM 1645 H2 HOH B 36 -32.080 28.718 3.730 1.00 0.00 H +HETATM 1646 O HOH B 37 16.716 -2.914 37.683 1.00 0.00 O +HETATM 1647 H1 HOH B 37 16.420 -2.072 38.029 1.00 0.00 H +HETATM 1648 H2 HOH B 37 17.188 -2.691 36.881 1.00 0.00 H +HETATM 1649 O HOH B 38 26.260 -7.361 -13.815 1.00 0.00 O +HETATM 1650 H1 HOH B 38 26.245 -7.756 -14.687 1.00 0.00 H +HETATM 1651 H2 HOH B 38 25.339 -7.308 -13.560 1.00 0.00 H +HETATM 1652 O HOH B 39 -10.445 18.167 20.212 1.00 0.00 O +HETATM 1653 H1 HOH B 39 -11.149 18.341 19.587 1.00 0.00 H +HETATM 1654 H2 HOH B 39 -10.750 17.409 20.711 1.00 0.00 H +HETATM 1655 O HOH B 40 47.785 8.321 20.090 1.00 0.00 O +HETATM 1656 H1 HOH B 40 48.422 8.919 19.697 1.00 0.00 H +HETATM 1657 H2 HOH B 40 48.155 7.450 19.948 1.00 0.00 H +HETATM 1658 O HOH B 41 -13.715 15.467 -26.593 1.00 0.00 O +HETATM 1659 H1 HOH B 41 -13.670 15.901 -27.445 1.00 0.00 H +HETATM 1660 H2 HOH B 41 -12.989 15.842 -26.094 1.00 0.00 H +HETATM 1661 O HOH B 42 1.447 38.837 18.448 1.00 0.00 O +HETATM 1662 H1 HOH B 42 1.070 38.958 19.319 1.00 0.00 H +HETATM 1663 H2 HOH B 42 1.977 38.044 18.524 1.00 0.00 H +HETATM 1664 O HOH B 43 -6.147 4.983 30.699 1.00 0.00 O +HETATM 1665 H1 HOH B 43 -6.955 4.912 31.207 1.00 0.00 H +HETATM 1666 H2 HOH B 43 -5.787 4.096 30.696 1.00 0.00 H +HETATM 1667 O HOH B 44 17.714 9.978 10.662 1.00 0.00 O +HETATM 1668 H1 HOH B 44 17.738 9.021 10.675 1.00 0.00 H +HETATM 1669 H2 HOH B 44 18.533 10.232 10.236 1.00 0.00 H +HETATM 1670 O HOH B 45 23.261 14.446 12.340 1.00 0.00 O +HETATM 1671 H1 HOH B 45 23.655 14.530 11.472 1.00 0.00 H +HETATM 1672 H2 HOH B 45 23.970 14.118 12.895 1.00 0.00 H +HETATM 1673 O HOH B 46 21.258 2.448 16.499 1.00 0.00 O +HETATM 1674 H1 HOH B 46 21.288 2.324 17.448 1.00 0.00 H +HETATM 1675 H2 HOH B 46 21.044 1.582 16.150 1.00 0.00 H +HETATM 1676 O HOH B 47 16.485 31.326 6.513 1.00 0.00 O +HETATM 1677 H1 HOH B 47 15.954 30.557 6.307 1.00 0.00 H +HETATM 1678 H2 HOH B 47 17.054 31.436 5.751 1.00 0.00 H +HETATM 1679 O HOH B 48 -64.458 -30.580 32.698 1.00 0.00 O +HETATM 1680 H1 HOH B 48 -64.538 -31.306 33.317 1.00 0.00 H +HETATM 1681 H2 HOH B 48 -64.211 -29.830 33.239 1.00 0.00 H +HETATM 1682 O HOH B 49 34.567 -13.328 -9.279 1.00 0.00 O +HETATM 1683 H1 HOH B 49 33.909 -13.851 -8.822 1.00 0.00 H +HETATM 1684 H2 HOH B 49 34.831 -12.663 -8.642 1.00 0.00 H +HETATM 1685 O HOH B 50 -10.028 21.283 7.713 1.00 0.00 O +HETATM 1686 H1 HOH B 50 -9.254 21.845 7.757 1.00 0.00 H +HETATM 1687 H2 HOH B 50 -9.679 20.392 7.719 1.00 0.00 H +HETATM 1688 O HOH B 51 0.070 12.507 -6.538 1.00 0.00 O +HETATM 1689 H1 HOH B 51 0.193 11.854 -5.849 1.00 0.00 H +HETATM 1690 H2 HOH B 51 0.440 13.312 -6.176 1.00 0.00 H +HETATM 1691 O HOH B 52 -28.998 25.826 66.239 1.00 0.00 O +HETATM 1692 H1 HOH B 52 -28.343 26.349 65.777 1.00 0.00 H +HETATM 1693 H2 HOH B 52 -29.723 25.746 65.619 1.00 0.00 H +HETATM 1694 O HOH B 53 -32.866 -14.318 11.721 1.00 0.00 O +HETATM 1695 H1 HOH B 53 -33.710 -14.298 12.174 1.00 0.00 H +HETATM 1696 H2 HOH B 53 -32.305 -13.736 12.234 1.00 0.00 H +HETATM 1697 O HOH B 54 -7.707 29.179 37.996 1.00 0.00 O +HETATM 1698 H1 HOH B 54 -7.469 30.088 37.819 1.00 0.00 H +HETATM 1699 H2 HOH B 54 -8.660 29.193 38.086 1.00 0.00 H +HETATM 1700 O HOH B 55 21.277 20.655 41.317 1.00 0.00 O +HETATM 1701 H1 HOH B 55 21.093 19.725 41.180 1.00 0.00 H +HETATM 1702 H2 HOH B 55 20.970 20.831 42.206 1.00 0.00 H +HETATM 1703 O HOH B 56 21.401 -28.820 40.271 1.00 0.00 O +HETATM 1704 H1 HOH B 56 21.055 -29.702 40.407 1.00 0.00 H +HETATM 1705 H2 HOH B 56 20.654 -28.315 39.951 1.00 0.00 H +HETATM 1706 O HOH B 57 45.947 -6.452 11.530 1.00 0.00 O +HETATM 1707 H1 HOH B 57 45.724 -6.585 12.451 1.00 0.00 H +HETATM 1708 H2 HOH B 57 45.101 -6.395 11.085 1.00 0.00 H +HETATM 1709 O HOH B 58 4.885 -2.533 9.961 1.00 0.00 O +HETATM 1710 H1 HOH B 58 4.897 -1.651 10.332 1.00 0.00 H +HETATM 1711 H2 HOH B 58 4.418 -2.437 9.131 1.00 0.00 H +HETATM 1712 O HOH B 59 26.481 26.469 15.236 1.00 0.00 O +HETATM 1713 H1 HOH B 59 27.386 26.353 14.946 1.00 0.00 H +HETATM 1714 H2 HOH B 59 26.176 27.244 14.765 1.00 0.00 H +HETATM 1715 O HOH B 60 -9.345 -33.274 41.406 1.00 0.00 O +HETATM 1716 H1 HOH B 60 -9.898 -34.025 41.623 1.00 0.00 H +HETATM 1717 H2 HOH B 60 -8.699 -33.241 42.111 1.00 0.00 H +HETATM 1718 O HOH B 61 17.415 34.613 27.175 1.00 0.00 O +HETATM 1719 H1 HOH B 61 17.960 35.023 26.503 1.00 0.00 H +HETATM 1720 H2 HOH B 61 17.251 33.730 26.845 1.00 0.00 H +HETATM 1721 O HOH B 62 48.299 51.471 9.327 1.00 0.00 O +HETATM 1722 H1 HOH B 62 48.013 52.306 9.697 1.00 0.00 H +HETATM 1723 H2 HOH B 62 47.494 51.062 9.008 1.00 0.00 H +HETATM 1724 O HOH B 63 15.406 9.019 1.279 1.00 0.00 O +HETATM 1725 H1 HOH B 63 15.699 9.929 1.236 1.00 0.00 H +HETATM 1726 H2 HOH B 63 16.119 8.518 0.885 1.00 0.00 H +HETATM 1727 O HOH B 64 -1.351 50.161 63.554 1.00 0.00 O +HETATM 1728 H1 HOH B 64 -2.160 50.500 63.936 1.00 0.00 H +HETATM 1729 H2 HOH B 64 -0.981 49.598 64.234 1.00 0.00 H +HETATM 1730 O HOH B 65 20.707 8.587 -4.040 1.00 0.00 O +HETATM 1731 H1 HOH B 65 20.532 9.184 -4.768 1.00 0.00 H +HETATM 1732 H2 HOH B 65 20.490 7.721 -4.383 1.00 0.00 H +HETATM 1733 O HOH B 66 -25.915 27.181 37.318 1.00 0.00 O +HETATM 1734 H1 HOH B 66 -25.714 26.337 36.915 1.00 0.00 H +HETATM 1735 H2 HOH B 66 -26.748 27.443 36.925 1.00 0.00 H +HETATM 1736 O HOH B 67 33.379 24.499 49.641 1.00 0.00 O +HETATM 1737 H1 HOH B 67 33.956 24.770 50.355 1.00 0.00 H +HETATM 1738 H2 HOH B 67 33.589 25.095 48.923 1.00 0.00 H +HETATM 1739 O HOH B 68 -41.228 -4.234 33.343 1.00 0.00 O +HETATM 1740 H1 HOH B 68 -42.030 -4.644 33.019 1.00 0.00 H +HETATM 1741 H2 HOH B 68 -40.731 -4.023 32.553 1.00 0.00 H +HETATM 1742 O HOH B 69 -35.992 8.832 48.337 1.00 0.00 O +HETATM 1743 H1 HOH B 69 -36.387 9.451 47.723 1.00 0.00 H +HETATM 1744 H2 HOH B 69 -35.226 8.492 47.876 1.00 0.00 H +HETATM 1745 O HOH B 70 -6.220 -6.402 36.739 1.00 0.00 O +HETATM 1746 H1 HOH B 70 -6.835 -6.634 37.434 1.00 0.00 H +HETATM 1747 H2 HOH B 70 -5.488 -5.986 37.194 1.00 0.00 H +HETATM 1748 O HOH B 71 1.658 7.769 -27.506 1.00 0.00 O +HETATM 1749 H1 HOH B 71 1.241 7.715 -26.646 1.00 0.00 H +HETATM 1750 H2 HOH B 71 2.592 7.653 -27.328 1.00 0.00 H +HETATM 1751 O HOH B 72 -28.496 -2.150 29.857 1.00 0.00 O +HETATM 1752 H1 HOH B 72 -27.574 -1.916 29.748 1.00 0.00 H +HETATM 1753 H2 HOH B 72 -28.925 -1.803 29.074 1.00 0.00 H +HETATM 1754 O HOH B 73 16.156 16.356 26.474 1.00 0.00 O +HETATM 1755 H1 HOH B 73 16.823 17.030 26.601 1.00 0.00 H +HETATM 1756 H2 HOH B 73 16.487 15.597 26.956 1.00 0.00 H +HETATM 1757 O HOH B 74 -16.067 -11.030 16.505 1.00 0.00 O +HETATM 1758 H1 HOH B 74 -15.723 -10.566 15.742 1.00 0.00 H +HETATM 1759 H2 HOH B 74 -16.793 -11.551 16.163 1.00 0.00 H +HETATM 1760 O HOH B 75 53.191 -3.609 19.798 1.00 0.00 O +HETATM 1761 H1 HOH B 75 52.369 -3.807 19.349 1.00 0.00 H +HETATM 1762 H2 HOH B 75 53.863 -4.041 19.272 1.00 0.00 H +HETATM 1763 O HOH B 76 -8.371 1.928 29.814 1.00 0.00 O +HETATM 1764 H1 HOH B 76 -8.537 1.444 30.623 1.00 0.00 H +HETATM 1765 H2 HOH B 76 -7.456 2.200 29.881 1.00 0.00 H +HETATM 1766 O HOH B 77 23.934 25.363 9.848 1.00 0.00 O +HETATM 1767 H1 HOH B 77 23.074 25.113 9.509 1.00 0.00 H +HETATM 1768 H2 HOH B 77 24.359 25.811 9.117 1.00 0.00 H +HETATM 1769 O HOH B 78 16.433 20.954 47.303 1.00 0.00 O +HETATM 1770 H1 HOH B 78 15.716 21.064 46.679 1.00 0.00 H +HETATM 1771 H2 HOH B 78 16.609 20.014 47.304 1.00 0.00 H +HETATM 1772 O HOH B 79 20.632 22.589 -14.819 1.00 0.00 O +HETATM 1773 H1 HOH B 79 20.850 22.092 -14.031 1.00 0.00 H +HETATM 1774 H2 HOH B 79 19.922 22.094 -15.227 1.00 0.00 H +HETATM 1775 O HOH B 80 29.581 24.292 -2.226 1.00 0.00 O +HETATM 1776 H1 HOH B 80 29.926 24.487 -3.097 1.00 0.00 H +HETATM 1777 H2 HOH B 80 29.732 23.353 -2.113 1.00 0.00 H +HETATM 1778 O HOH B 81 15.485 -9.462 43.174 1.00 0.00 O +HETATM 1779 H1 HOH B 81 14.581 -9.336 42.886 1.00 0.00 H +HETATM 1780 H2 HOH B 81 15.434 -10.162 43.825 1.00 0.00 H +HETATM 1781 O HOH B 82 11.092 7.455 3.527 1.00 0.00 O +HETATM 1782 H1 HOH B 82 11.520 7.667 2.698 1.00 0.00 H +HETATM 1783 H2 HOH B 82 11.388 8.136 4.131 1.00 0.00 H +HETATM 1784 O HOH B 83 22.175 33.509 17.031 1.00 0.00 O +HETATM 1785 H1 HOH B 83 22.660 32.722 16.785 1.00 0.00 H +HETATM 1786 H2 HOH B 83 21.874 33.337 17.923 1.00 0.00 H +HETATM 1787 O HOH B 84 6.594 39.237 51.335 1.00 0.00 O +HETATM 1788 H1 HOH B 84 7.216 39.246 52.062 1.00 0.00 H +HETATM 1789 H2 HOH B 84 6.211 38.360 51.359 1.00 0.00 H +HETATM 1790 O HOH B 85 3.200 52.803 27.093 1.00 0.00 O +HETATM 1791 H1 HOH B 85 3.725 53.572 26.871 1.00 0.00 H +HETATM 1792 H2 HOH B 85 3.321 52.207 26.353 1.00 0.00 H +HETATM 1793 O HOH B 86 -6.975 52.794 5.843 1.00 0.00 O +HETATM 1794 H1 HOH B 86 -6.206 53.356 5.745 1.00 0.00 H +HETATM 1795 H2 HOH B 86 -7.257 52.930 6.748 1.00 0.00 H +HETATM 1796 O HOH B 87 16.351 -7.054 -9.963 1.00 0.00 O +HETATM 1797 H1 HOH B 87 17.244 -6.799 -9.731 1.00 0.00 H +HETATM 1798 H2 HOH B 87 16.366 -8.011 -9.958 1.00 0.00 H +HETATM 1799 O HOH B 88 -9.852 21.932 27.327 1.00 0.00 O +HETATM 1800 H1 HOH B 88 -10.577 21.338 27.134 1.00 0.00 H +HETATM 1801 H2 HOH B 88 -9.174 21.698 26.694 1.00 0.00 H +HETATM 1802 O HOH B 89 30.266 20.955 35.581 1.00 0.00 O +HETATM 1803 H1 HOH B 89 30.142 21.894 35.437 1.00 0.00 H +HETATM 1804 H2 HOH B 89 30.085 20.556 34.730 1.00 0.00 H +HETATM 1805 O HOH B 90 -12.601 27.335 34.769 1.00 0.00 O +HETATM 1806 H1 HOH B 90 -12.548 26.384 34.865 1.00 0.00 H +HETATM 1807 H2 HOH B 90 -11.732 27.650 35.019 1.00 0.00 H +HETATM 1808 O HOH B 91 -7.541 -18.591 25.655 1.00 0.00 O +HETATM 1809 H1 HOH B 91 -8.282 -18.921 25.146 1.00 0.00 H +HETATM 1810 H2 HOH B 91 -6.873 -18.387 25.001 1.00 0.00 H +HETATM 1811 O HOH B 92 0.742 26.324 1.385 1.00 0.00 O +HETATM 1812 H1 HOH B 92 0.063 26.839 0.951 1.00 0.00 H +HETATM 1813 H2 HOH B 92 1.510 26.416 0.821 1.00 0.00 H +HETATM 1814 O HOH B 93 58.575 6.856 27.943 1.00 0.00 O +HETATM 1815 H1 HOH B 93 58.620 6.068 28.484 1.00 0.00 H +HETATM 1816 H2 HOH B 93 59.203 6.700 27.238 1.00 0.00 H +HETATM 1817 O HOH B 94 24.401 -1.198 4.941 1.00 0.00 O +HETATM 1818 H1 HOH B 94 24.858 -1.594 4.199 1.00 0.00 H +HETATM 1819 H2 HOH B 94 24.960 -1.385 5.695 1.00 0.00 H +HETATM 1820 O HOH B 95 16.427 30.167 1.737 1.00 0.00 O +HETATM 1821 H1 HOH B 95 17.172 29.605 1.951 1.00 0.00 H +HETATM 1822 H2 HOH B 95 15.658 29.626 1.919 1.00 0.00 H +HETATM 1823 O HOH B 96 -2.318 11.730 3.322 1.00 0.00 O +HETATM 1824 H1 HOH B 96 -3.056 12.078 2.822 1.00 0.00 H +HETATM 1825 H2 HOH B 96 -2.640 10.904 3.682 1.00 0.00 H +HETATM 1826 O HOH B 97 46.415 45.732 18.745 1.00 0.00 O +HETATM 1827 H1 HOH B 97 45.901 45.144 19.299 1.00 0.00 H +HETATM 1828 H2 HOH B 97 47.325 45.494 18.922 1.00 0.00 H +HETATM 1829 O HOH B 98 30.090 -3.282 34.726 1.00 0.00 O +HETATM 1830 H1 HOH B 98 29.698 -2.933 33.926 1.00 0.00 H +HETATM 1831 H2 HOH B 98 29.584 -2.885 35.435 1.00 0.00 H +HETATM 1832 O HOH B 99 7.523 -16.358 22.141 1.00 0.00 O +HETATM 1833 H1 HOH B 99 7.373 -15.527 22.592 1.00 0.00 H +HETATM 1834 H2 HOH B 99 8.034 -16.878 22.761 1.00 0.00 H +HETATM 1835 O HOH B 100 18.367 30.249 8.005 1.00 0.00 O +HETATM 1836 H1 HOH B 100 17.699 30.760 7.549 1.00 0.00 H +HETATM 1837 H2 HOH B 100 18.795 30.877 8.587 1.00 0.00 H +HETATM 1838 O HOH B 101 -7.977 4.247 -4.292 1.00 0.00 O +HETATM 1839 H1 HOH B 101 -8.589 4.975 -4.398 1.00 0.00 H +HETATM 1840 H2 HOH B 101 -8.520 3.518 -3.994 1.00 0.00 H +HETATM 1841 O HOH B 102 -34.022 -9.016 14.870 1.00 0.00 O +HETATM 1842 H1 HOH B 102 -34.937 -9.274 14.758 1.00 0.00 H +HETATM 1843 H2 HOH B 102 -33.528 -9.829 14.759 1.00 0.00 H +HETATM 1844 O HOH B 103 21.341 -0.228 43.805 1.00 0.00 O +HETATM 1845 H1 HOH B 103 21.736 -1.036 43.478 1.00 0.00 H +HETATM 1846 H2 HOH B 103 21.811 -0.043 44.618 1.00 0.00 H +HETATM 1847 O HOH B 104 43.775 25.460 15.582 1.00 0.00 O +HETATM 1848 H1 HOH B 104 43.674 24.759 14.939 1.00 0.00 H +HETATM 1849 H2 HOH B 104 44.598 25.888 15.343 1.00 0.00 H +HETATM 1850 O HOH B 105 -12.996 -8.233 19.288 1.00 0.00 O +HETATM 1851 H1 HOH B 105 -13.749 -8.822 19.350 1.00 0.00 H +HETATM 1852 H2 HOH B 105 -13.305 -7.506 18.748 1.00 0.00 H +HETATM 1853 O HOH B 106 0.774 -2.673 -21.292 1.00 0.00 O +HETATM 1854 H1 HOH B 106 1.357 -2.107 -21.798 1.00 0.00 H +HETATM 1855 H2 HOH B 106 0.773 -3.503 -21.768 1.00 0.00 H +HETATM 1856 O HOH B 107 -36.583 17.637 41.402 1.00 0.00 O +HETATM 1857 H1 HOH B 107 -37.363 17.699 41.954 1.00 0.00 H +HETATM 1858 H2 HOH B 107 -36.871 17.947 40.544 1.00 0.00 H +HETATM 1859 O HOH B 108 -7.275 58.744 15.193 1.00 0.00 O +HETATM 1860 H1 HOH B 108 -7.421 59.402 15.873 1.00 0.00 H +HETATM 1861 H2 HOH B 108 -6.758 58.064 15.625 1.00 0.00 H +HETATM 1862 O HOH B 109 17.195 -30.542 -13.426 1.00 0.00 O +HETATM 1863 H1 HOH B 109 16.819 -30.568 -14.306 1.00 0.00 H +HETATM 1864 H2 HOH B 109 17.505 -31.434 -13.271 1.00 0.00 H +HETATM 1865 O HOH B 110 25.334 38.817 -8.512 1.00 0.00 O +HETATM 1866 H1 HOH B 110 25.785 39.031 -9.328 1.00 0.00 H +HETATM 1867 H2 HOH B 110 25.876 39.210 -7.828 1.00 0.00 H +HETATM 1868 O HOH B 111 -7.458 -48.757 12.538 1.00 0.00 O +HETATM 1869 H1 HOH B 111 -7.432 -48.936 13.478 1.00 0.00 H +HETATM 1870 H2 HOH B 111 -7.514 -47.803 12.477 1.00 0.00 H +HETATM 1871 O HOH B 112 0.573 -11.059 18.836 1.00 0.00 O +HETATM 1872 H1 HOH B 112 0.478 -10.167 18.503 1.00 0.00 H +HETATM 1873 H2 HOH B 112 1.037 -11.526 18.142 1.00 0.00 H +HETATM 1874 O HOH B 113 -11.112 -5.739 11.135 1.00 0.00 O +HETATM 1875 H1 HOH B 113 -10.770 -4.981 10.661 1.00 0.00 H +HETATM 1876 H2 HOH B 113 -12.058 -5.598 11.163 1.00 0.00 H +HETATM 1877 O HOH B 114 -10.141 -21.500 23.633 1.00 0.00 O +HETATM 1878 H1 HOH B 114 -10.118 -20.545 23.690 1.00 0.00 H +HETATM 1879 H2 HOH B 114 -9.937 -21.799 24.519 1.00 0.00 H +HETATM 1880 O HOH B 115 -7.884 9.933 -9.047 1.00 0.00 O +HETATM 1881 H1 HOH B 115 -7.644 10.841 -8.859 1.00 0.00 H +HETATM 1882 H2 HOH B 115 -7.292 9.670 -9.752 1.00 0.00 H +HETATM 1883 O HOH B 116 23.875 -60.105 40.681 1.00 0.00 O +HETATM 1884 H1 HOH B 116 22.958 -60.367 40.762 1.00 0.00 H +HETATM 1885 H2 HOH B 116 23.856 -59.148 40.715 1.00 0.00 H +HETATM 1886 O HOH B 117 19.053 27.163 -11.689 1.00 0.00 O +HETATM 1887 H1 HOH B 117 19.812 26.934 -11.153 1.00 0.00 H +HETATM 1888 H2 HOH B 117 19.363 27.869 -12.255 1.00 0.00 H +HETATM 1889 O HOH B 118 -25.991 -2.635 36.812 1.00 0.00 O +HETATM 1890 H1 HOH B 118 -26.087 -2.819 37.746 1.00 0.00 H +HETATM 1891 H2 HOH B 118 -26.762 -3.033 36.407 1.00 0.00 H +HETATM 1892 O HOH B 119 -3.231 -18.476 28.769 1.00 0.00 O +HETATM 1893 H1 HOH B 119 -4.028 -18.067 28.431 1.00 0.00 H +HETATM 1894 H2 HOH B 119 -3.534 -19.036 29.483 1.00 0.00 H +HETATM 1895 O HOH B 120 -1.277 -2.000 7.308 1.00 0.00 O +HETATM 1896 H1 HOH B 120 -0.499 -2.373 6.894 1.00 0.00 H +HETATM 1897 H2 HOH B 120 -1.608 -2.699 7.872 1.00 0.00 H +HETATM 1898 O HOH B 121 0.358 25.986 25.005 1.00 0.00 O +HETATM 1899 H1 HOH B 121 1.250 25.670 25.148 1.00 0.00 H +HETATM 1900 H2 HOH B 121 0.022 25.442 24.293 1.00 0.00 H +HETATM 1901 O HOH B 122 17.432 35.407 23.790 1.00 0.00 O +HETATM 1902 H1 HOH B 122 17.794 35.595 22.924 1.00 0.00 H +HETATM 1903 H2 HOH B 122 16.796 36.106 23.941 1.00 0.00 H +HETATM 1904 O HOH B 123 21.055 29.212 19.125 1.00 0.00 O +HETATM 1905 H1 HOH B 123 21.133 29.745 19.917 1.00 0.00 H +HETATM 1906 H2 HOH B 123 21.454 28.374 19.361 1.00 0.00 H +HETATM 1907 O HOH B 124 18.292 25.980 -14.239 1.00 0.00 O +HETATM 1908 H1 HOH B 124 18.107 25.093 -13.929 1.00 0.00 H +HETATM 1909 H2 HOH B 124 18.444 26.486 -13.441 1.00 0.00 H +HETATM 1910 O HOH B 125 -6.440 22.920 71.159 1.00 0.00 O +HETATM 1911 H1 HOH B 125 -6.500 22.032 71.511 1.00 0.00 H +HETATM 1912 H2 HOH B 125 -7.330 23.266 71.229 1.00 0.00 H +HETATM 1913 O HOH B 126 71.192 0.874 -18.518 1.00 0.00 O +HETATM 1914 H1 HOH B 126 70.701 1.075 -17.721 1.00 0.00 H +HETATM 1915 H2 HOH B 126 71.687 1.672 -18.702 1.00 0.00 H +HETATM 1916 O HOH B 127 -7.701 -4.404 8.138 1.00 0.00 O +HETATM 1917 H1 HOH B 127 -7.281 -5.243 8.328 1.00 0.00 H +HETATM 1918 H2 HOH B 127 -7.312 -4.123 7.310 1.00 0.00 H +HETATM 1919 O HOH B 128 -15.368 15.511 2.713 1.00 0.00 O +HETATM 1920 H1 HOH B 128 -15.276 16.464 2.716 1.00 0.00 H +HETATM 1921 H2 HOH B 128 -14.927 15.229 1.912 1.00 0.00 H +TER 1922 HOH B 128 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 +CONECT 240 232 +CONECT 241 242 245 246 247 +CONECT 242 241 243 248 249 +CONECT 243 242 244 250 251 +CONECT 244 243 252 +CONECT 245 241 +CONECT 246 241 +CONECT 247 241 +CONECT 248 242 +CONECT 249 242 +CONECT 250 243 +CONECT 251 243 +CONECT 252 244 +CONECT 253 254 257 258 259 +CONECT 254 253 255 260 261 +CONECT 255 254 256 262 263 +CONECT 256 255 264 +CONECT 257 253 +CONECT 258 253 +CONECT 259 253 +CONECT 260 254 +CONECT 261 254 +CONECT 262 255 +CONECT 263 255 +CONECT 264 256 +CONECT 265 266 269 270 271 +CONECT 266 265 267 272 273 +CONECT 267 266 268 274 275 +CONECT 268 267 276 +CONECT 269 265 +CONECT 270 265 +CONECT 271 265 +CONECT 272 266 +CONECT 273 266 +CONECT 274 267 +CONECT 275 267 +CONECT 276 268 +CONECT 277 278 281 282 283 +CONECT 278 277 279 284 285 +CONECT 279 278 280 286 287 +CONECT 280 279 288 +CONECT 281 277 +CONECT 282 277 +CONECT 283 277 +CONECT 284 278 +CONECT 285 278 +CONECT 286 279 +CONECT 287 279 +CONECT 288 280 +CONECT 289 290 293 294 295 +CONECT 290 289 291 296 297 +CONECT 291 290 292 298 299 +CONECT 292 291 300 +CONECT 293 289 +CONECT 294 289 +CONECT 295 289 +CONECT 296 290 +CONECT 297 290 +CONECT 298 291 +CONECT 299 291 +CONECT 300 292 +CONECT 301 302 305 306 307 +CONECT 302 301 303 308 309 +CONECT 303 302 304 310 311 +CONECT 304 303 312 +CONECT 305 301 +CONECT 306 301 +CONECT 307 301 +CONECT 308 302 +CONECT 309 302 +CONECT 310 303 +CONECT 311 303 +CONECT 312 304 +CONECT 313 314 317 318 319 +CONECT 314 313 315 320 321 +CONECT 315 314 316 322 323 +CONECT 316 315 324 +CONECT 317 313 +CONECT 318 313 +CONECT 319 313 +CONECT 320 314 +CONECT 321 314 +CONECT 322 315 +CONECT 323 315 +CONECT 324 316 +CONECT 325 326 329 330 331 +CONECT 326 325 327 332 333 +CONECT 327 326 328 334 335 +CONECT 328 327 336 +CONECT 329 325 +CONECT 330 325 +CONECT 331 325 +CONECT 332 326 +CONECT 333 326 +CONECT 334 327 +CONECT 335 327 +CONECT 336 328 +CONECT 337 338 341 342 343 +CONECT 338 337 339 344 345 +CONECT 339 338 340 346 347 +CONECT 340 339 348 +CONECT 341 337 +CONECT 342 337 +CONECT 343 337 +CONECT 344 338 +CONECT 345 338 +CONECT 346 339 +CONECT 347 339 +CONECT 348 340 +CONECT 349 350 353 354 355 +CONECT 350 349 351 356 357 +CONECT 351 350 352 358 359 +CONECT 352 351 360 +CONECT 353 349 +CONECT 354 349 +CONECT 355 349 +CONECT 356 350 +CONECT 357 350 +CONECT 358 351 +CONECT 359 351 +CONECT 360 352 +CONECT 361 362 365 366 367 +CONECT 362 361 363 368 369 +CONECT 363 362 364 370 371 +CONECT 364 363 372 +CONECT 365 361 +CONECT 366 361 +CONECT 367 361 +CONECT 368 362 +CONECT 369 362 +CONECT 370 363 +CONECT 371 363 +CONECT 372 364 +CONECT 373 374 377 378 379 +CONECT 374 373 375 380 381 +CONECT 375 374 376 382 383 +CONECT 376 375 384 +CONECT 377 373 +CONECT 378 373 +CONECT 379 373 +CONECT 380 374 +CONECT 381 374 +CONECT 382 375 +CONECT 383 375 +CONECT 384 376 +CONECT 385 386 389 390 391 +CONECT 386 385 387 392 393 +CONECT 387 386 388 394 395 +CONECT 388 387 396 +CONECT 389 385 +CONECT 390 385 +CONECT 391 385 +CONECT 392 386 +CONECT 393 386 +CONECT 394 387 +CONECT 395 387 +CONECT 396 388 +CONECT 397 398 401 402 403 +CONECT 398 397 399 404 405 +CONECT 399 398 400 406 407 +CONECT 400 399 408 +CONECT 401 397 +CONECT 402 397 +CONECT 403 397 +CONECT 404 398 +CONECT 405 398 +CONECT 406 399 +CONECT 407 399 +CONECT 408 400 +CONECT 409 410 413 414 415 +CONECT 410 409 411 416 417 +CONECT 411 410 412 418 419 +CONECT 412 411 420 +CONECT 413 409 +CONECT 414 409 +CONECT 415 409 +CONECT 416 410 +CONECT 417 410 +CONECT 418 411 +CONECT 419 411 +CONECT 420 412 +CONECT 421 422 425 426 427 +CONECT 422 421 423 428 429 +CONECT 423 422 424 430 431 +CONECT 424 423 432 +CONECT 425 421 +CONECT 426 421 +CONECT 427 421 +CONECT 428 422 +CONECT 429 422 +CONECT 430 423 +CONECT 431 423 +CONECT 432 424 +CONECT 433 434 437 438 439 +CONECT 434 433 435 440 441 +CONECT 435 434 436 442 443 +CONECT 436 435 444 +CONECT 437 433 +CONECT 438 433 +CONECT 439 433 +CONECT 440 434 +CONECT 441 434 +CONECT 442 435 +CONECT 443 435 +CONECT 444 436 +CONECT 445 446 449 450 451 +CONECT 446 445 447 452 453 +CONECT 447 446 448 454 455 +CONECT 448 447 456 +CONECT 449 445 +CONECT 450 445 +CONECT 451 445 +CONECT 452 446 +CONECT 453 446 +CONECT 454 447 +CONECT 455 447 +CONECT 456 448 +CONECT 457 458 461 462 463 +CONECT 458 457 459 464 465 +CONECT 459 458 460 466 467 +CONECT 460 459 468 +CONECT 461 457 +CONECT 462 457 +CONECT 463 457 +CONECT 464 458 +CONECT 465 458 +CONECT 466 459 +CONECT 467 459 +CONECT 468 460 +CONECT 469 470 473 474 475 +CONECT 470 469 471 476 477 +CONECT 471 470 472 478 479 +CONECT 472 471 480 +CONECT 473 469 +CONECT 474 469 +CONECT 475 469 +CONECT 476 470 +CONECT 477 470 +CONECT 478 471 +CONECT 479 471 +CONECT 480 472 +CONECT 481 482 485 486 487 +CONECT 482 481 483 488 489 +CONECT 483 482 484 490 491 +CONECT 484 483 492 +CONECT 485 481 +CONECT 486 481 +CONECT 487 481 +CONECT 488 482 +CONECT 489 482 +CONECT 490 483 +CONECT 491 483 +CONECT 492 484 +CONECT 493 494 497 498 499 +CONECT 494 493 495 500 501 +CONECT 495 494 496 502 503 +CONECT 496 495 504 +CONECT 497 493 +CONECT 498 493 +CONECT 499 493 +CONECT 500 494 +CONECT 501 494 +CONECT 502 495 +CONECT 503 495 +CONECT 504 496 +CONECT 505 506 509 510 511 +CONECT 506 505 507 512 513 +CONECT 507 506 508 514 515 +CONECT 508 507 516 +CONECT 509 505 +CONECT 510 505 +CONECT 511 505 +CONECT 512 506 +CONECT 513 506 +CONECT 514 507 +CONECT 515 507 +CONECT 516 508 +CONECT 517 518 521 522 523 +CONECT 518 517 519 524 525 +CONECT 519 518 520 526 527 +CONECT 520 519 528 +CONECT 521 517 +CONECT 522 517 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575 567 +CONECT 576 568 +CONECT 577 578 581 582 583 +CONECT 578 577 579 584 585 +CONECT 579 578 580 586 587 +CONECT 580 579 588 +CONECT 581 577 +CONECT 582 577 +CONECT 583 577 +CONECT 584 578 +CONECT 585 578 +CONECT 586 579 +CONECT 587 579 +CONECT 588 580 +CONECT 589 590 593 594 595 +CONECT 590 589 591 596 597 +CONECT 591 590 592 598 599 +CONECT 592 591 600 +CONECT 593 589 +CONECT 594 589 +CONECT 595 589 +CONECT 596 590 +CONECT 597 590 +CONECT 598 591 +CONECT 599 591 +CONECT 600 592 +CONECT 601 602 605 606 607 +CONECT 602 601 603 608 609 +CONECT 603 602 604 610 611 +CONECT 604 603 612 +CONECT 605 601 +CONECT 606 601 +CONECT 607 601 +CONECT 608 602 +CONECT 609 602 +CONECT 610 603 +CONECT 611 603 +CONECT 612 604 +CONECT 613 614 617 618 619 +CONECT 614 613 615 620 621 +CONECT 615 614 616 622 623 +CONECT 616 615 624 +CONECT 617 613 +CONECT 618 613 +CONECT 619 613 +CONECT 620 614 +CONECT 621 614 +CONECT 622 615 +CONECT 623 615 +CONECT 624 616 +CONECT 625 626 629 630 631 +CONECT 626 625 627 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1485 1478 +CONECT 1486 1479 +CONECT 1487 1479 +CONECT 1488 1480 +CONECT 1489 1490 1493 1494 1495 +CONECT 1490 1489 1491 1496 1497 +CONECT 1491 1490 1492 1498 1499 +CONECT 1492 1491 1500 +CONECT 1493 1489 +CONECT 1494 1489 +CONECT 1495 1489 +CONECT 1496 1490 +CONECT 1497 1490 +CONECT 1498 1491 +CONECT 1499 1491 +CONECT 1500 1492 +CONECT 1501 1502 1505 1506 1507 +CONECT 1502 1501 1503 1508 1509 +CONECT 1503 1502 1504 1510 1511 +CONECT 1504 1503 1512 +CONECT 1505 1501 +CONECT 1506 1501 +CONECT 1507 1501 +CONECT 1508 1502 +CONECT 1509 1502 +CONECT 1510 1503 +CONECT 1511 1503 +CONECT 1512 1504 +CONECT 1513 1514 1517 1518 1519 +CONECT 1514 1513 1515 1520 1521 +CONECT 1515 1514 1516 1522 1523 +CONECT 1516 1515 1524 +CONECT 1517 1513 +CONECT 1518 1513 +CONECT 1519 1513 +CONECT 1520 1514 +CONECT 1521 1514 +CONECT 1522 1515 +CONECT 1523 1515 +CONECT 1524 1516 +CONECT 1525 1526 1529 1530 1531 +CONECT 1526 1525 1527 1532 1533 +CONECT 1527 1526 1528 1534 1535 +CONECT 1528 1527 1536 +CONECT 1529 1525 +CONECT 1530 1525 +CONECT 1531 1525 +CONECT 1532 1526 +CONECT 1533 1526 +CONECT 1534 1527 +CONECT 1535 1527 +CONECT 1536 1528 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1_production_simulation_mixture/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1|conditional_group_mixture_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_conditional_group_mixture/1|conditional_group_mixture_output.json new file mode 100644 index 00000000..c8931c9e --- 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No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_component_1/uncorrelated_trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_component_1/uncorrelated_trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_component_1/uncorrelated_trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/1|decorrelate_trajectory_mixture_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/1|decorrelate_trajectory_mixture_output.json new file mode 100644 index 00000000..a8a074c4 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/1|decorrelate_trajectory_mixture_output.json @@ -0,0 +1 @@ +{".output_trajectory_path": "1_decorrelate_trajectory_mixture/uncorrelated_trajectory.dcd"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/uncorrelated_trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/uncorrelated_trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_decorrelate_trajectory_mixture/uncorrelated_trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/1|energy_minimisation_component_0_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/1|energy_minimisation_component_0_output.json new file mode 100644 index 00000000..1a2f3867 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/1|energy_minimisation_component_0_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_energy_minimisation_component_0/minimised.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/minimised.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/minimised.pdb new file mode 100644 index 00000000..2d183638 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_0/minimised.pdb @@ -0,0 +1,6148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 34.956 34.956 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C2 UFX A 16 20.376 27.374 3.866 1.00 0.00 C +HETATM 183 C3 UFX A 16 21.572 28.035 4.566 1.00 0.00 C +HETATM 184 O1 UFX A 16 21.574 29.442 4.326 1.00 0.00 O +HETATM 185 H1 UFX A 16 18.983 27.692 5.504 1.00 0.00 H +HETATM 186 H2 UFX A 16 18.926 28.950 4.261 1.00 0.00 H +HETATM 187 H3 UFX A 16 18.208 27.366 3.946 1.00 0.00 H +HETATM 188 H4 UFX A 16 20.439 26.294 4.004 1.00 0.00 H +HETATM 189 H5 UFX A 16 20.423 27.564 2.793 1.00 0.00 H +HETATM 190 H6 UFX A 16 22.498 27.596 4.194 1.00 0.00 H +HETATM 191 H7 UFX A 16 21.521 27.846 5.638 1.00 0.00 H +HETATM 192 H8 UFX A 16 21.650 29.646 3.369 1.00 0.00 H +HETATM 193 C1 UFX A 17 26.774 26.065 30.359 1.00 0.00 C +HETATM 194 C2 UFX A 17 27.473 27.358 30.813 1.00 0.00 C +HETATM 195 C3 UFX A 17 26.593 28.192 31.758 1.00 0.00 C +HETATM 196 O1 UFX A 17 25.377 28.576 31.119 1.00 0.00 O +HETATM 197 H1 UFX A 17 26.488 25.464 31.222 1.00 0.00 H +HETATM 198 H2 UFX A 17 25.878 26.293 29.781 1.00 0.00 H +HETATM 199 H3 UFX A 17 27.444 25.475 29.734 1.00 0.00 H +HETATM 200 H4 UFX A 17 28.396 27.099 31.332 1.00 0.00 H +HETATM 201 H5 UFX A 17 27.751 27.956 29.945 1.00 0.00 H +HETATM 202 H6 UFX A 17 27.136 29.082 32.076 1.00 0.00 H +HETATM 203 H7 UFX A 17 26.366 27.613 32.653 1.00 0.00 H +HETATM 204 H8 UFX A 17 25.530 29.157 30.344 1.00 0.00 H +HETATM 205 C1 UFX A 18 22.553 3.442 7.780 1.00 0.00 C +HETATM 206 C2 UFX A 18 23.300 2.478 6.852 1.00 0.00 C +HETATM 207 C3 UFX A 18 23.249 1.034 7.377 1.00 0.00 C +HETATM 208 O1 UFX A 18 24.020 0.894 8.572 1.00 0.00 O +HETATM 209 H1 UFX A 18 21.512 3.134 7.879 1.00 0.00 H +HETATM 210 H2 UFX A 18 23.011 3.464 8.769 1.00 0.00 H +HETATM 211 H3 UFX A 18 22.571 4.452 7.368 1.00 0.00 H +HETATM 212 H4 UFX A 18 22.838 2.513 5.866 1.00 0.00 H +HETATM 213 H5 UFX A 18 24.334 2.805 6.738 1.00 0.00 H +HETATM 214 H6 UFX A 18 23.641 0.361 6.614 1.00 0.00 H +HETATM 215 H7 UFX A 18 22.215 0.746 7.566 1.00 0.00 H +HETATM 216 H8 UFX A 18 24.983 0.960 8.396 1.00 0.00 H +HETATM 217 C1 UFX A 19 22.693 3.675 31.675 1.00 0.00 C +HETATM 218 C2 UFX A 19 22.137 4.787 30.769 1.00 0.00 C +HETATM 219 C3 UFX A 19 22.016 6.121 31.509 1.00 0.00 C +HETATM 220 O1 UFX A 19 21.010 6.033 32.517 1.00 0.00 O +HETATM 221 H1 UFX A 19 23.677 3.949 32.054 1.00 0.00 H +HETATM 222 H2 UFX A 19 22.030 3.499 32.522 1.00 0.00 H +HETATM 223 H3 UFX A 19 22.788 2.745 31.114 1.00 0.00 H +HETATM 224 H4 UFX A 19 22.802 4.918 29.915 1.00 0.00 H +HETATM 225 H5 UFX A 19 21.162 4.498 30.376 1.00 0.00 H +HETATM 226 H6 UFX A 19 21.748 6.899 30.793 1.00 0.00 H +HETATM 227 H7 UFX A 19 22.973 6.394 31.954 1.00 0.00 H +HETATM 228 H8 UFX A 19 20.135 5.809 32.134 1.00 0.00 H +HETATM 229 C1 UFX A 20 17.126 1.885 4.808 1.00 0.00 C +HETATM 230 C2 UFX A 20 16.972 3.402 5.023 1.00 0.00 C +HETATM 231 C3 UFX A 20 17.927 3.928 6.106 1.00 0.00 C +HETATM 232 O1 UFX A 20 17.648 3.306 7.361 1.00 0.00 O +HETATM 233 H1 UFX A 20 18.154 1.639 4.543 1.00 0.00 H +HETATM 234 H2 UFX A 20 16.858 1.338 5.712 1.00 0.00 H +HETATM 235 H3 UFX A 20 16.474 1.553 4.000 1.00 0.00 H +HETATM 236 H4 UFX A 20 17.182 3.916 4.084 1.00 0.00 H +HETATM 237 H5 UFX A 20 15.942 3.633 5.293 1.00 0.00 H +HETATM 238 H6 UFX A 20 17.811 5.007 6.201 1.00 0.00 H +HETATM 239 H7 UFX A 20 18.960 3.732 5.817 1.00 0.00 H +HETATM 240 H8 UFX A 20 16.728 3.477 7.655 1.00 0.00 H +HETATM 241 C1 UFX A 21 26.466 16.334 4.385 1.00 0.00 C +HETATM 242 C2 UFX A 21 27.115 16.330 5.780 1.00 0.00 C +HETATM 243 C3 UFX A 21 26.068 16.455 6.897 1.00 0.00 C +HETATM 244 O1 UFX A 21 25.365 17.692 6.770 1.00 0.00 O +HETATM 245 H1 UFX A 21 25.733 15.531 4.303 1.00 0.00 H +HETATM 246 H2 UFX A 21 25.967 17.284 4.193 1.00 0.00 H +HETATM 247 H3 UFX A 21 27.227 16.188 3.618 1.00 0.00 H +HETATM 248 H4 UFX A 21 27.666 15.399 5.915 1.00 0.00 H +HETATM 249 H5 UFX A 21 27.836 17.144 5.857 1.00 0.00 H +HETATM 250 H6 UFX A 21 26.558 16.410 7.869 1.00 0.00 H +HETATM 251 H7 UFX A 21 25.370 15.620 6.843 1.00 0.00 H +HETATM 252 H8 UFX A 21 25.964 18.460 6.884 1.00 0.00 H +HETATM 253 C1 UFX A 22 29.303 11.031 9.520 1.00 0.00 C +HETATM 254 C2 UFX A 22 29.220 10.603 8.043 1.00 0.00 C +HETATM 255 C3 UFX A 22 29.331 11.805 7.092 1.00 0.00 C +HETATM 256 O1 UFX A 22 28.270 12.728 7.335 1.00 0.00 O +HETATM 257 H1 UFX A 22 30.241 11.551 9.716 1.00 0.00 H +HETATM 258 H2 UFX A 22 28.477 11.695 9.777 1.00 0.00 H +HETATM 259 H3 UFX A 22 29.252 10.156 10.168 1.00 0.00 H +HETATM 260 H4 UFX A 22 30.027 9.903 7.826 1.00 0.00 H +HETATM 261 H5 UFX A 22 28.281 10.079 7.863 1.00 0.00 H +HETATM 262 H6 UFX A 22 29.290 11.461 6.059 1.00 0.00 H +HETATM 263 H7 UFX A 22 30.294 12.299 7.227 1.00 0.00 H +HETATM 264 H8 UFX A 22 27.396 12.331 7.132 1.00 0.00 H +HETATM 265 C1 UFX A 23 22.306 10.993 21.994 1.00 0.00 C +HETATM 266 C2 UFX A 23 22.796 11.998 20.938 1.00 0.00 C +HETATM 267 C3 UFX A 23 23.081 11.300 19.601 1.00 0.00 C +HETATM 268 O1 UFX A 23 24.180 10.409 19.741 1.00 0.00 O +HETATM 269 H1 UFX A 23 21.406 10.484 21.650 1.00 0.00 H +HETATM 270 H2 UFX A 23 23.071 10.243 22.194 1.00 0.00 H +HETATM 271 H3 UFX A 23 22.073 11.509 22.926 1.00 0.00 H +HETATM 272 H4 UFX A 23 22.030 12.760 20.792 1.00 0.00 H +HETATM 273 H5 UFX A 23 23.695 12.504 21.289 1.00 0.00 H +HETATM 274 H6 UFX A 23 23.302 12.039 18.831 1.00 0.00 H +HETATM 275 H7 UFX A 23 22.200 10.744 19.281 1.00 0.00 H +HETATM 276 H8 UFX A 23 25.045 10.871 19.702 1.00 0.00 H +HETATM 277 C1 UFX A 24 6.599 9.887 3.059 1.00 0.00 C +HETATM 278 C2 UFX A 24 5.817 10.724 4.086 1.00 0.00 C +HETATM 279 C3 UFX A 24 4.321 10.375 4.086 1.00 0.00 C +HETATM 280 O1 UFX A 24 3.741 10.678 2.819 1.00 0.00 O +HETATM 281 H1 UFX A 24 6.489 8.823 3.268 1.00 0.00 H +HETATM 282 H2 UFX A 24 6.238 10.080 2.049 1.00 0.00 H +HETATM 283 H3 UFX A 24 7.659 10.138 3.097 1.00 0.00 H +HETATM 284 H4 UFX A 24 6.225 10.537 5.080 1.00 0.00 H +HETATM 285 H5 UFX A 24 5.947 11.785 3.874 1.00 0.00 H +HETATM 286 H6 UFX A 24 3.812 10.943 4.865 1.00 0.00 H +HETATM 287 H7 UFX A 24 4.186 9.316 4.309 1.00 0.00 H +HETATM 288 H8 UFX A 24 3.817 11.631 2.598 1.00 0.00 H +HETATM 289 C1 UFX A 25 7.196 31.625 5.216 1.00 0.00 C +HETATM 290 C2 UFX A 25 6.720 30.966 3.910 1.00 0.00 C +HETATM 291 C3 UFX A 25 7.763 29.979 3.366 1.00 0.00 C +HETATM 292 O1 UFX A 25 8.928 30.686 2.946 1.00 0.00 O +HETATM 293 H1 UFX A 25 7.373 30.867 5.979 1.00 0.00 H +HETATM 294 H2 UFX A 25 8.119 32.182 5.055 1.00 0.00 H +HETATM 295 H3 UFX A 25 6.438 32.315 5.587 1.00 0.00 H +HETATM 296 H4 UFX A 25 5.787 30.435 4.099 1.00 0.00 H +HETATM 297 H5 UFX A 25 6.509 31.731 3.163 1.00 0.00 H +HETATM 298 H6 UFX A 25 7.344 29.435 2.519 1.00 0.00 H +HETATM 299 H7 UFX A 25 8.022 29.248 4.133 1.00 0.00 H +HETATM 300 H8 UFX A 25 8.709 31.396 2.305 1.00 0.00 H +HETATM 301 C1 UFX A 26 29.994 24.760 12.342 1.00 0.00 C +HETATM 302 C2 UFX A 26 31.206 25.379 11.627 1.00 0.00 C +HETATM 303 C3 UFX A 26 32.141 26.112 12.599 1.00 0.00 C +HETATM 304 O1 UFX A 26 31.455 27.198 13.222 1.00 0.00 O +HETATM 305 H1 UFX A 26 30.319 24.067 13.118 1.00 0.00 H +HETATM 306 H2 UFX A 26 29.379 25.535 12.800 1.00 0.00 H +HETATM 307 H3 UFX A 26 29.375 24.214 11.630 1.00 0.00 H +HETATM 308 H4 UFX A 26 31.766 24.592 11.121 1.00 0.00 H +HETATM 309 H5 UFX A 26 30.860 26.074 10.861 1.00 0.00 H +HETATM 310 H6 UFX A 26 33.008 26.491 12.056 1.00 0.00 H +HETATM 311 H7 UFX A 26 32.507 25.418 13.356 1.00 0.00 H +HETATM 312 H8 UFX A 26 31.116 27.838 12.560 1.00 0.00 H +HETATM 313 C1 UFX A 27 12.947 16.669 23.475 1.00 0.00 C +HETATM 314 C2 UFX A 27 14.262 16.747 24.266 1.00 0.00 C +HETATM 315 C3 UFX A 27 14.948 18.111 24.099 1.00 0.00 C +HETATM 316 O1 UFX A 27 15.304 18.331 22.735 1.00 0.00 O +HETATM 317 H1 UFX A 27 12.255 17.446 23.802 1.00 0.00 H +HETATM 318 H2 UFX A 27 13.135 16.796 22.409 1.00 0.00 H +HETATM 319 H3 UFX A 27 12.471 15.699 23.623 1.00 0.00 H +HETATM 320 H4 UFX A 27 14.052 16.581 25.323 1.00 0.00 H +HETATM 321 H5 UFX A 27 14.935 15.953 23.939 1.00 0.00 H +HETATM 322 H6 UFX A 27 15.845 18.144 24.718 1.00 0.00 H +HETATM 323 H7 UFX A 27 14.285 18.906 24.442 1.00 0.00 H +HETATM 324 H8 UFX A 27 15.793 17.568 22.358 1.00 0.00 H +HETATM 325 C1 UFX A 28 20.340 27.311 26.103 1.00 0.00 C +HETATM 326 C2 UFX A 28 19.896 28.744 26.445 1.00 0.00 C +HETATM 327 C3 UFX A 28 18.573 28.775 27.221 1.00 0.00 C +HETATM 328 O1 UFX A 28 17.530 28.194 26.442 1.00 0.00 O +HETATM 329 H1 UFX A 28 20.470 26.722 27.012 1.00 0.00 H +HETATM 330 H2 UFX A 28 19.599 26.819 25.473 1.00 0.00 H +HETATM 331 H3 UFX A 28 21.286 27.329 25.563 1.00 0.00 H +HETATM 332 H4 UFX A 28 20.670 29.228 27.040 1.00 0.00 H +HETATM 333 H5 UFX A 28 19.789 29.323 25.527 1.00 0.00 H +HETATM 334 H6 UFX A 28 18.315 29.806 27.462 1.00 0.00 H +HETATM 335 H7 UFX A 28 18.682 28.236 28.162 1.00 0.00 H +HETATM 336 H8 UFX A 28 16.682 28.165 26.934 1.00 0.00 H +HETATM 337 C1 UFX A 29 23.149 27.023 16.917 1.00 0.00 C +HETATM 338 C2 UFX A 29 23.724 28.364 17.405 1.00 0.00 C +HETATM 339 C3 UFX A 29 24.178 29.248 16.234 1.00 0.00 C +HETATM 340 O1 UFX A 29 25.260 28.624 15.545 1.00 0.00 O +HETATM 341 H1 UFX A 29 22.298 27.190 16.257 1.00 0.00 H +HETATM 342 H2 UFX A 29 23.902 26.451 16.375 1.00 0.00 H +HETATM 343 H3 UFX A 29 22.812 26.430 17.768 1.00 0.00 H +HETATM 344 H4 UFX A 29 22.958 28.893 17.973 1.00 0.00 H +HETATM 345 H5 UFX A 29 24.562 28.185 18.078 1.00 0.00 H +HETATM 346 H6 UFX A 29 24.494 30.221 16.610 1.00 0.00 H +HETATM 347 H7 UFX A 29 23.347 29.416 15.549 1.00 0.00 H +HETATM 348 H8 UFX A 29 26.026 28.460 16.136 1.00 0.00 H +HETATM 349 C1 UFX A 30 22.092 5.269 12.913 1.00 0.00 C +HETATM 350 C2 UFX A 30 21.170 4.053 12.710 1.00 0.00 C +HETATM 351 C3 UFX A 30 21.452 2.932 13.721 1.00 0.00 C +HETATM 352 O1 UFX A 30 22.800 2.489 13.609 1.00 0.00 O +HETATM 353 H1 UFX A 30 21.976 5.675 13.917 1.00 0.00 H +HETATM 354 H2 UFX A 30 23.136 4.989 12.769 1.00 0.00 H +HETATM 355 H3 UFX A 30 21.846 6.049 12.193 1.00 0.00 H +HETATM 356 H4 UFX A 30 20.132 4.367 12.817 1.00 0.00 H +HETATM 357 H5 UFX A 30 21.290 3.669 11.697 1.00 0.00 H +HETATM 358 H6 UFX A 30 20.776 2.096 13.541 1.00 0.00 H +HETATM 359 H7 UFX A 30 21.264 3.290 14.734 1.00 0.00 H +HETATM 360 H8 UFX A 30 23.024 2.229 12.690 1.00 0.00 H +HETATM 361 C1 UFX A 31 10.018 21.054 11.919 1.00 0.00 C +HETATM 362 C2 UFX A 31 8.993 21.422 10.835 1.00 0.00 C +HETATM 363 C3 UFX A 31 8.018 20.270 10.541 1.00 0.00 C +HETATM 364 O1 UFX A 31 8.731 19.154 10.002 1.00 0.00 O +HETATM 365 H1 UFX A 31 9.511 20.740 12.832 1.00 0.00 H +HETATM 366 H2 UFX A 31 10.663 20.243 11.580 1.00 0.00 H +HETATM 367 H3 UFX A 31 10.642 21.916 12.152 1.00 0.00 H +HETATM 368 H4 UFX A 31 8.423 22.288 11.170 1.00 0.00 H +HETATM 369 H5 UFX A 31 9.510 21.711 9.920 1.00 0.00 H +HETATM 370 H6 UFX A 31 7.262 20.605 9.830 1.00 0.00 H +HETATM 371 H7 UFX A 31 7.497 19.978 11.453 1.00 0.00 H +HETATM 372 H8 UFX A 31 9.233 19.408 9.198 1.00 0.00 H +HETATM 373 C1 UFX A 32 29.209 28.121 26.374 1.00 0.00 C +HETATM 374 C2 UFX A 32 28.429 28.792 25.231 1.00 0.00 C +HETATM 375 C3 UFX A 32 27.306 27.888 24.698 1.00 0.00 C +HETATM 376 O1 UFX A 32 27.865 26.738 24.072 1.00 0.00 O +HETATM 377 H1 UFX A 32 28.539 27.858 27.193 1.00 0.00 H +HETATM 378 H2 UFX A 32 29.703 27.216 26.022 1.00 0.00 H +HETATM 379 H3 UFX A 32 29.970 28.801 26.759 1.00 0.00 H +HETATM 380 H4 UFX A 32 27.999 29.727 25.592 1.00 0.00 H +HETATM 381 H5 UFX A 32 29.111 29.051 24.421 1.00 0.00 H +HETATM 382 H6 UFX A 32 26.707 28.439 23.972 1.00 0.00 H +HETATM 383 H7 UFX A 32 26.646 27.586 25.512 1.00 0.00 H +HETATM 384 H8 UFX A 32 28.418 26.987 23.301 1.00 0.00 H +HETATM 385 C1 UFX A 33 8.225 30.958 26.460 1.00 0.00 C +HETATM 386 C2 UFX A 33 7.421 30.660 27.737 1.00 0.00 C +HETATM 387 C3 UFX A 33 7.858 29.343 28.401 1.00 0.00 C +HETATM 388 O1 UFX A 33 7.671 28.251 27.506 1.00 0.00 O +HETATM 389 H1 UFX A 33 9.293 30.985 26.676 1.00 0.00 H +HETATM 390 H2 UFX A 33 8.040 30.195 25.703 1.00 0.00 H +HETATM 391 H3 UFX A 33 7.930 31.922 26.044 1.00 0.00 H +HETATM 392 H4 UFX A 33 7.558 31.477 28.446 1.00 0.00 H +HETATM 393 H5 UFX A 33 6.359 30.615 27.498 1.00 0.00 H +HETATM 394 H6 UFX A 33 7.271 29.179 29.305 1.00 0.00 H +HETATM 395 H7 UFX A 33 8.906 29.403 28.696 1.00 0.00 H +HETATM 396 H8 UFX A 33 6.764 28.236 27.135 1.00 0.00 H +HETATM 397 C1 UFX A 34 3.955 29.812 22.535 1.00 0.00 C +HETATM 398 C2 UFX A 34 4.605 28.419 22.589 1.00 0.00 C +HETATM 399 C3 UFX A 34 6.076 28.502 23.018 1.00 0.00 C +HETATM 400 O1 UFX A 34 6.840 29.180 22.024 1.00 0.00 O +HETATM 401 H1 UFX A 34 4.026 30.302 23.506 1.00 0.00 H +HETATM 402 H2 UFX A 34 4.449 30.439 21.792 1.00 0.00 H +HETATM 403 H3 UFX A 34 2.902 29.727 22.266 1.00 0.00 H +HETATM 404 H4 UFX A 34 4.059 27.798 23.299 1.00 0.00 H +HETATM 405 H5 UFX A 34 4.532 27.936 21.614 1.00 0.00 H +HETATM 406 H6 UFX A 34 6.470 27.496 23.160 1.00 0.00 H +HETATM 407 H7 UFX A 34 6.159 29.024 23.971 1.00 0.00 H +HETATM 408 H8 UFX A 34 6.837 28.693 21.172 1.00 0.00 H +HETATM 409 C1 UFX A 35 16.046 28.821 31.168 1.00 0.00 C +HETATM 410 C2 UFX A 35 15.503 27.549 31.841 1.00 0.00 C +HETATM 411 C3 UFX A 35 15.114 26.474 30.819 1.00 0.00 C +HETATM 412 O1 UFX A 35 14.036 26.935 29.998 1.00 0.00 O +HETATM 413 H1 UFX A 35 16.896 28.582 30.530 1.00 0.00 H +HETATM 414 H2 UFX A 35 15.277 29.296 30.559 1.00 0.00 H +HETATM 415 H3 UFX A 35 16.372 29.537 31.923 1.00 0.00 H +HETATM 416 H4 UFX A 35 16.270 27.143 32.501 1.00 0.00 H +HETATM 417 H5 UFX A 35 14.640 27.795 32.460 1.00 0.00 H +HETATM 418 H6 UFX A 35 14.813 25.567 31.345 1.00 0.00 H +HETATM 419 H7 UFX A 35 15.973 26.220 30.197 1.00 0.00 H +HETATM 420 H8 UFX A 35 13.283 27.259 30.538 1.00 0.00 H +HETATM 421 C1 UFX A 36 19.594 4.407 1.214 1.00 0.00 C +HETATM 422 C2 UFX A 36 21.091 4.525 0.881 1.00 0.00 C +HETATM 423 C3 UFX A 36 21.602 5.963 1.052 1.00 0.00 C +HETATM 424 O1 UFX A 36 20.934 6.839 0.148 1.00 0.00 O +HETATM 425 H1 UFX A 36 19.403 4.737 2.235 1.00 0.00 H +HETATM 426 H2 UFX A 36 18.998 5.015 0.534 1.00 0.00 H +HETATM 427 H3 UFX A 36 19.269 3.370 1.121 1.00 0.00 H +HETATM 428 H4 UFX A 36 21.655 3.864 1.540 1.00 0.00 H +HETATM 429 H5 UFX A 36 21.272 4.191 -0.141 1.00 0.00 H +HETATM 430 H6 UFX A 36 22.676 5.996 0.867 1.00 0.00 H +HETATM 431 H7 UFX A 36 21.435 6.292 2.078 1.00 0.00 H +HETATM 432 H8 UFX A 36 21.050 6.560 -0.786 1.00 0.00 H +HETATM 433 C1 UFX A 37 21.316 2.264 28.345 1.00 0.00 C +HETATM 434 C2 UFX A 37 20.903 1.399 27.145 1.00 0.00 C +HETATM 435 C3 UFX A 37 19.609 0.620 27.422 1.00 0.00 C +HETATM 436 O1 UFX A 37 19.791 -0.262 28.529 1.00 0.00 O +HETATM 437 H1 UFX A 37 20.530 2.979 28.584 1.00 0.00 H +HETATM 438 H2 UFX A 37 21.505 1.644 29.222 1.00 0.00 H +HETATM 439 H3 UFX A 37 22.228 2.815 28.115 1.00 0.00 H +HETATM 440 H4 UFX A 37 20.760 2.036 26.272 1.00 0.00 H +HETATM 441 H5 UFX A 37 21.707 0.708 26.895 1.00 0.00 H +HETATM 442 H6 UFX A 37 19.333 0.044 26.538 1.00 0.00 H +HETATM 443 H7 UFX A 37 18.794 1.313 27.631 1.00 0.00 H +HETATM 444 H8 UFX A 37 20.555 -0.863 28.395 1.00 0.00 H +HETATM 445 C1 UFX A 38 4.192 2.701 13.353 1.00 0.00 C +HETATM 446 C2 UFX A 38 4.449 4.216 13.298 1.00 0.00 C +HETATM 447 C3 UFX A 38 3.503 4.932 12.324 1.00 0.00 C +HETATM 448 O1 UFX A 38 3.696 4.436 11.001 1.00 0.00 O +HETATM 449 H1 UFX A 38 3.163 2.497 13.649 1.00 0.00 H +HETATM 450 H2 UFX A 38 4.373 2.242 12.381 1.00 0.00 H +HETATM 451 H3 UFX A 38 4.859 2.234 14.078 1.00 0.00 H +HETATM 452 H4 UFX A 38 4.315 4.638 14.295 1.00 0.00 H +HETATM 453 H5 UFX A 38 5.483 4.403 13.008 1.00 0.00 H +HETATM 454 H6 UFX A 38 3.701 6.004 12.346 1.00 0.00 H +HETATM 455 H7 UFX A 38 2.467 4.782 12.629 1.00 0.00 H +HETATM 456 H8 UFX A 38 4.648 4.418 10.760 1.00 0.00 H +HETATM 457 C1 UFX A 39 13.012 18.552 3.193 1.00 0.00 C +HETATM 458 C2 UFX A 39 11.830 18.123 2.308 1.00 0.00 C +HETATM 459 C3 UFX A 39 11.647 19.042 1.088 1.00 0.00 C +HETATM 460 O1 UFX A 39 11.442 20.396 1.492 1.00 0.00 O +HETATM 461 H1 UFX A 39 13.936 18.560 2.614 1.00 0.00 H +HETATM 462 H2 UFX A 39 12.848 19.548 3.604 1.00 0.00 H +HETATM 463 H3 UFX A 39 13.133 17.855 4.023 1.00 0.00 H +HETATM 464 H4 UFX A 39 11.996 17.103 1.960 1.00 0.00 H +HETATM 465 H5 UFX A 39 10.915 18.111 2.899 1.00 0.00 H +HETATM 466 H6 UFX A 39 10.791 18.702 0.505 1.00 0.00 H +HETATM 467 H7 UFX A 39 12.524 18.981 0.443 1.00 0.00 H +HETATM 468 H8 UFX A 39 10.787 20.466 2.219 1.00 0.00 H +HETATM 469 C1 UFX A 40 17.390 8.145 26.171 1.00 0.00 C +HETATM 470 C2 UFX A 40 17.845 9.568 25.806 1.00 0.00 C +HETATM 471 C3 UFX A 40 19.237 9.577 25.155 1.00 0.00 C +HETATM 472 O1 UFX A 40 20.231 9.125 26.073 1.00 0.00 O +HETATM 473 H1 UFX A 40 17.386 7.504 25.289 1.00 0.00 H +HETATM 474 H2 UFX A 40 18.054 7.706 26.916 1.00 0.00 H +HETATM 475 H3 UFX A 40 16.383 8.167 26.588 1.00 0.00 H +HETATM 476 H4 UFX A 40 17.126 10.001 25.111 1.00 0.00 H +HETATM 477 H5 UFX A 40 17.852 10.193 26.699 1.00 0.00 H +HETATM 478 H6 UFX A 40 19.478 10.587 24.825 1.00 0.00 H +HETATM 479 H7 UFX A 40 19.236 8.938 24.272 1.00 0.00 H +HETATM 480 H8 UFX A 40 20.325 9.725 26.843 1.00 0.00 H +HETATM 481 C1 UFX A 41 20.050 19.876 29.819 1.00 0.00 C +HETATM 482 C2 UFX A 41 21.159 19.823 30.885 1.00 0.00 C +HETATM 483 C3 UFX A 41 20.995 20.937 31.929 1.00 0.00 C +HETATM 484 O1 UFX A 41 21.104 22.215 31.306 1.00 0.00 O +HETATM 485 H1 UFX A 41 19.068 19.782 30.283 1.00 0.00 H +HETATM 486 H2 UFX A 41 20.088 20.817 29.271 1.00 0.00 H +HETATM 487 H3 UFX A 41 20.174 19.061 29.106 1.00 0.00 H +HETATM 488 H4 UFX A 41 21.129 18.855 31.387 1.00 0.00 H +HETATM 489 H5 UFX A 41 22.135 19.910 30.407 1.00 0.00 H +HETATM 490 H6 UFX A 41 21.763 20.837 32.697 1.00 0.00 H +HETATM 491 H7 UFX A 41 20.026 20.848 32.420 1.00 0.00 H +HETATM 492 H8 UFX A 41 21.972 22.338 30.864 1.00 0.00 H +HETATM 493 C1 UFX A 42 8.579 8.629 23.139 1.00 0.00 C +HETATM 494 C2 UFX A 42 8.893 9.073 21.701 1.00 0.00 C +HETATM 495 C3 UFX A 42 8.176 8.200 20.665 1.00 0.00 C +HETATM 496 O1 UFX A 42 8.678 6.867 20.712 1.00 0.00 O +HETATM 497 H1 UFX A 42 7.506 8.667 23.325 1.00 0.00 H +HETATM 498 H2 UFX A 42 8.929 7.611 23.315 1.00 0.00 H +HETATM 499 H3 UFX A 42 9.074 9.289 23.852 1.00 0.00 H +HETATM 500 H4 UFX A 42 8.578 10.109 21.572 1.00 0.00 H +HETATM 501 H5 UFX A 42 9.969 9.035 21.529 1.00 0.00 H +HETATM 502 H6 UFX A 42 8.323 8.612 19.667 1.00 0.00 H +HETATM 503 H7 UFX A 42 7.103 8.198 20.862 1.00 0.00 H +HETATM 504 H8 UFX A 42 9.584 6.804 20.340 1.00 0.00 H +HETATM 505 C1 UFX A 43 13.504 28.199 25.505 1.00 0.00 C +HETATM 506 C2 UFX A 43 13.229 28.866 26.864 1.00 0.00 C +HETATM 507 C3 UFX A 43 14.534 29.313 27.537 1.00 0.00 C +HETATM 508 O1 UFX A 43 15.299 28.173 27.925 1.00 0.00 O +HETATM 509 H1 UFX A 43 13.994 28.899 24.828 1.00 0.00 H +HETATM 510 H2 UFX A 43 14.146 27.327 25.624 1.00 0.00 H +HETATM 511 H3 UFX A 43 12.567 27.878 25.049 1.00 0.00 H +HETATM 512 H4 UFX A 43 12.588 29.734 26.711 1.00 0.00 H +HETATM 513 H5 UFX A 43 12.695 28.175 27.517 1.00 0.00 H +HETATM 514 H6 UFX A 43 14.305 29.913 28.418 1.00 0.00 H +HETATM 515 H7 UFX A 43 15.111 29.939 26.856 1.00 0.00 H +HETATM 516 H8 UFX A 43 14.851 27.663 28.634 1.00 0.00 H +HETATM 517 C1 UFX A 44 8.203 13.135 20.849 1.00 0.00 C +HETATM 518 C2 UFX A 44 7.085 12.988 19.807 1.00 0.00 C +HETATM 519 C3 UFX A 44 7.411 13.747 18.511 1.00 0.00 C +HETATM 520 O1 UFX A 44 7.442 15.156 18.749 1.00 0.00 O +HETATM 521 H1 UFX A 44 9.137 12.722 20.467 1.00 0.00 H +HETATM 522 H2 UFX A 44 8.363 14.184 21.097 1.00 0.00 H +HETATM 523 H3 UFX A 44 7.941 12.602 21.764 1.00 0.00 H +HETATM 524 H4 UFX A 44 6.950 11.930 19.578 1.00 0.00 H +HETATM 525 H5 UFX A 44 6.143 13.349 20.220 1.00 0.00 H +HETATM 526 H6 UFX A 44 6.654 13.521 17.760 1.00 0.00 H +HETATM 527 H7 UFX A 44 8.372 13.415 18.119 1.00 0.00 H +HETATM 528 H8 UFX A 44 6.619 15.469 19.182 1.00 0.00 H +HETATM 529 C1 UFX A 45 28.380 15.049 27.300 1.00 0.00 C +HETATM 530 C2 UFX A 45 26.911 14.632 27.493 1.00 0.00 C +HETATM 531 C3 UFX A 45 26.802 13.411 28.414 1.00 0.00 C +HETATM 532 O1 UFX A 45 27.379 12.277 27.770 1.00 0.00 O +HETATM 533 H1 UFX A 45 28.816 15.365 28.248 1.00 0.00 H +HETATM 534 H2 UFX A 45 28.970 14.218 26.914 1.00 0.00 H +HETATM 535 H3 UFX A 45 28.449 15.872 26.588 1.00 0.00 H +HETATM 536 H4 UFX A 45 26.350 15.463 27.922 1.00 0.00 H +HETATM 537 H5 UFX A 45 26.460 14.406 26.526 1.00 0.00 H +HETATM 538 H6 UFX A 45 25.756 13.209 28.646 1.00 0.00 H +HETATM 539 H7 UFX A 45 27.314 13.607 29.356 1.00 0.00 H +HETATM 540 H8 UFX A 45 26.933 12.071 26.921 1.00 0.00 H +HETATM 541 C1 UFX A 46 11.909 29.385 31.219 1.00 0.00 C +HETATM 542 C2 UFX A 46 11.333 30.803 31.063 1.00 0.00 C +HETATM 543 C3 UFX A 46 11.964 31.545 29.874 1.00 0.00 C +HETATM 544 O1 UFX A 46 13.361 31.726 30.090 1.00 0.00 O +HETATM 545 H1 UFX A 46 11.730 28.799 30.318 1.00 0.00 H +HETATM 546 H2 UFX A 46 12.983 29.428 31.405 1.00 0.00 H +HETATM 547 H3 UFX A 46 11.439 28.879 32.063 1.00 0.00 H +HETATM 548 H4 UFX A 46 10.255 30.735 30.910 1.00 0.00 H +HETATM 549 H5 UFX A 46 11.495 31.371 31.979 1.00 0.00 H +HETATM 550 H6 UFX A 46 11.484 32.516 29.749 1.00 0.00 H +HETATM 551 H7 UFX A 46 11.803 30.979 28.956 1.00 0.00 H +HETATM 552 H8 UFX A 46 13.546 32.283 30.876 1.00 0.00 H +HETATM 553 C1 UFX A 47 19.648 4.786 25.700 1.00 0.00 C +HETATM 554 C2 UFX A 47 21.044 5.427 25.653 1.00 0.00 C +HETATM 555 C3 UFX A 47 21.498 5.950 27.025 1.00 0.00 C +HETATM 556 O1 UFX A 47 20.570 6.896 27.544 1.00 0.00 O +HETATM 557 H1 UFX A 47 19.596 4.033 26.487 1.00 0.00 H +HETATM 558 H2 UFX A 47 18.884 5.539 25.893 1.00 0.00 H +HETATM 559 H3 UFX A 47 19.422 4.299 24.751 1.00 0.00 H +HETATM 560 H4 UFX A 47 21.765 4.682 25.317 1.00 0.00 H +HETATM 561 H5 UFX A 47 21.052 6.241 24.928 1.00 0.00 H +HETATM 562 H6 UFX A 47 22.480 6.413 26.924 1.00 0.00 H +HETATM 563 H7 UFX A 47 21.599 5.119 27.724 1.00 0.00 H +HETATM 564 H8 UFX A 47 20.452 7.660 26.939 1.00 0.00 H +HETATM 565 C1 UFX A 48 15.806 16.061 20.398 1.00 0.00 C +HETATM 566 C2 UFX A 48 15.604 15.337 19.058 1.00 0.00 C +HETATM 567 C3 UFX A 48 15.574 16.319 17.878 1.00 0.00 C +HETATM 568 O1 UFX A 48 14.447 17.183 17.993 1.00 0.00 O +HETATM 569 H1 UFX A 48 16.743 16.618 20.394 1.00 0.00 H +HETATM 570 H2 UFX A 48 14.987 16.758 20.580 1.00 0.00 H +HETATM 571 H3 UFX A 48 15.832 15.341 21.216 1.00 0.00 H +HETATM 572 H4 UFX A 48 16.420 14.628 18.914 1.00 0.00 H +HETATM 573 H5 UFX A 48 14.676 14.765 19.081 1.00 0.00 H +HETATM 574 H6 UFX A 48 15.522 15.766 16.940 1.00 0.00 H +HETATM 575 H7 UFX A 48 16.489 16.911 17.860 1.00 0.00 H +HETATM 576 H8 UFX A 48 13.600 16.689 17.959 1.00 0.00 H +HETATM 577 C1 UFX A 49 4.179 19.252 25.493 1.00 0.00 C +HETATM 578 C2 UFX A 49 4.161 17.800 24.994 1.00 0.00 C +HETATM 579 C3 UFX A 49 5.203 16.916 25.700 1.00 0.00 C +HETATM 580 O1 UFX A 49 6.494 17.528 25.698 1.00 0.00 O +HETATM 581 H1 UFX A 49 4.088 19.281 26.579 1.00 0.00 H +HETATM 582 H2 UFX A 49 5.111 19.742 25.210 1.00 0.00 H +HETATM 583 H3 UFX A 49 3.357 19.814 25.051 1.00 0.00 H +HETATM 584 H4 UFX A 49 3.172 17.372 25.159 1.00 0.00 H +HETATM 585 H5 UFX A 49 4.341 17.785 23.919 1.00 0.00 H +HETATM 586 H6 UFX A 49 5.248 15.949 25.198 1.00 0.00 H +HETATM 587 H7 UFX A 49 4.894 16.730 26.729 1.00 0.00 H +HETATM 588 H8 UFX A 49 6.728 17.874 24.810 1.00 0.00 H +HETATM 589 C1 UFX A 50 5.193 27.203 13.820 1.00 0.00 C +HETATM 590 C2 UFX A 50 4.187 27.753 12.795 1.00 0.00 C +HETATM 591 C3 UFX A 50 4.384 27.155 11.395 1.00 0.00 C +HETATM 592 O1 UFX A 50 5.729 27.339 10.957 1.00 0.00 O +HETATM 593 H1 UFX A 50 5.111 26.118 13.888 1.00 0.00 H +HETATM 594 H2 UFX A 50 6.215 27.459 13.541 1.00 0.00 H +HETATM 595 H3 UFX A 50 4.993 27.626 14.805 1.00 0.00 H +HETATM 596 H4 UFX A 50 3.175 27.527 13.134 1.00 0.00 H +HETATM 597 H5 UFX A 50 4.271 28.838 12.737 1.00 0.00 H +HETATM 598 H6 UFX A 50 3.698 27.634 10.696 1.00 0.00 H +HETATM 599 H7 UFX A 50 4.146 26.091 11.410 1.00 0.00 H +HETATM 600 H8 UFX A 50 6.052 28.246 11.142 1.00 0.00 H +HETATM 601 C1 UFX A 51 27.796 17.497 11.371 1.00 0.00 C +HETATM 602 C2 UFX A 51 28.185 18.866 10.793 1.00 0.00 C +HETATM 603 C3 UFX A 51 29.681 19.161 10.983 1.00 0.00 C +HETATM 604 O1 UFX A 51 30.002 19.249 12.370 1.00 0.00 O +HETATM 605 H1 UFX A 51 28.382 16.706 10.902 1.00 0.00 H +HETATM 606 H2 UFX A 51 27.970 17.466 12.447 1.00 0.00 H +HETATM 607 H3 UFX A 51 26.741 17.295 11.190 1.00 0.00 H +HETATM 608 H4 UFX A 51 27.953 18.876 9.728 1.00 0.00 H +HETATM 609 H5 UFX A 51 27.590 19.650 11.263 1.00 0.00 H +HETATM 610 H6 UFX A 51 29.933 20.100 10.490 1.00 0.00 H +HETATM 611 H7 UFX A 51 30.277 18.376 10.516 1.00 0.00 H +HETATM 612 H8 UFX A 51 29.477 19.942 12.824 1.00 0.00 H +HETATM 613 C1 UFX A 52 13.811 30.231 3.676 1.00 0.00 C +HETATM 614 C2 UFX A 52 12.828 30.440 2.513 1.00 0.00 C +HETATM 615 C3 UFX A 52 12.137 31.806 2.608 1.00 0.00 C +HETATM 616 O1 UFX A 52 11.255 31.835 3.728 1.00 0.00 O +HETATM 617 H1 UFX A 52 14.602 30.980 3.647 1.00 0.00 H +HETATM 618 H2 UFX A 52 13.295 30.308 4.633 1.00 0.00 H +HETATM 619 H3 UFX A 52 14.269 29.244 3.612 1.00 0.00 H +HETATM 620 H4 UFX A 52 13.373 30.373 1.571 1.00 0.00 H +HETATM 621 H5 UFX A 52 12.077 29.649 2.510 1.00 0.00 H +HETATM 622 H6 UFX A 52 11.573 31.998 1.696 1.00 0.00 H +HETATM 623 H7 UFX A 52 12.884 32.595 2.704 1.00 0.00 H +HETATM 624 H8 UFX A 52 10.490 31.233 3.609 1.00 0.00 H +HETATM 625 C1 UFX A 53 5.158 5.904 23.026 1.00 0.00 C +HETATM 626 C2 UFX A 53 5.653 5.211 21.746 1.00 0.00 C +HETATM 627 C3 UFX A 53 6.845 4.284 22.018 1.00 0.00 C +HETATM 628 O1 UFX A 53 7.964 5.032 22.493 1.00 0.00 O +HETATM 629 H1 UFX A 53 4.880 5.163 23.776 1.00 0.00 H +HETATM 630 H2 UFX A 53 5.934 6.547 23.442 1.00 0.00 H +HETATM 631 H3 UFX A 53 4.283 6.517 22.812 1.00 0.00 H +HETATM 632 H4 UFX A 53 4.838 4.626 21.321 1.00 0.00 H +HETATM 633 H5 UFX A 53 5.933 5.960 21.004 1.00 0.00 H +HETATM 634 H6 UFX A 53 7.117 3.765 21.099 1.00 0.00 H +HETATM 635 H7 UFX A 53 6.567 3.527 22.751 1.00 0.00 H +HETATM 636 H8 UFX A 53 8.206 5.750 21.871 1.00 0.00 H +HETATM 637 C1 UFX A 54 31.511 1.754 10.246 1.00 0.00 C +HETATM 638 C2 UFX A 54 30.198 1.814 11.045 1.00 0.00 C +HETATM 639 C3 UFX A 54 29.596 0.417 11.258 1.00 0.00 C +HETATM 640 O1 UFX A 54 29.240 -0.169 10.008 1.00 0.00 O +HETATM 641 H1 UFX A 54 32.247 1.143 10.769 1.00 0.00 H +HETATM 642 H2 UFX A 54 31.343 1.328 9.257 1.00 0.00 H +HETATM 643 H3 UFX A 54 31.923 2.755 10.124 1.00 0.00 H +HETATM 644 H4 UFX A 54 30.394 2.271 12.015 1.00 0.00 H +HETATM 645 H5 UFX A 54 29.476 2.450 10.533 1.00 0.00 H +HETATM 646 H6 UFX A 54 28.711 0.494 11.890 1.00 0.00 H +HETATM 647 H7 UFX A 54 30.313 -0.221 11.775 1.00 0.00 H +HETATM 648 H8 UFX A 54 28.621 0.400 9.502 1.00 0.00 H +HETATM 649 C1 UFX A 55 16.873 20.776 7.189 1.00 0.00 C +HETATM 650 C2 UFX A 55 17.853 19.775 6.555 1.00 0.00 C +HETATM 651 C3 UFX A 55 17.159 18.478 6.113 1.00 0.00 C +HETATM 652 O1 UFX A 55 16.548 17.832 7.225 1.00 0.00 O +HETATM 653 H1 UFX A 55 16.075 21.028 6.490 1.00 0.00 H +HETATM 654 H2 UFX A 55 16.429 20.361 8.094 1.00 0.00 H +HETATM 655 H3 UFX A 55 17.395 21.694 7.457 1.00 0.00 H +HETATM 656 H4 UFX A 55 18.324 20.238 5.688 1.00 0.00 H +HETATM 657 H5 UFX A 55 18.647 19.543 7.265 1.00 0.00 H +HETATM 658 H6 UFX A 55 17.893 17.811 5.660 1.00 0.00 H +HETATM 659 H7 UFX A 55 16.405 18.700 5.357 1.00 0.00 H +HETATM 660 H8 UFX A 55 17.192 17.656 7.944 1.00 0.00 H +HETATM 661 C1 UFX A 56 10.979 5.362 11.031 1.00 0.00 C +HETATM 662 C2 UFX A 56 12.150 6.036 10.294 1.00 0.00 C +HETATM 663 C3 UFX A 56 11.702 6.749 9.009 1.00 0.00 C +HETATM 664 O1 UFX A 56 11.079 5.827 8.116 1.00 0.00 O +HETATM 665 H1 UFX A 56 10.217 6.095 11.297 1.00 0.00 H +HETATM 666 H2 UFX A 56 10.520 4.594 10.408 1.00 0.00 H +HETATM 667 H3 UFX A 56 11.336 4.889 11.946 1.00 0.00 H +HETATM 668 H4 UFX A 56 12.618 6.765 10.957 1.00 0.00 H +HETATM 669 H5 UFX A 56 12.906 5.289 10.053 1.00 0.00 H +HETATM 670 H6 UFX A 56 12.566 7.205 8.525 1.00 0.00 H +HETATM 671 H7 UFX A 56 11.006 7.552 9.252 1.00 0.00 H +HETATM 672 H8 UFX A 56 11.672 5.079 7.890 1.00 0.00 H +HETATM 673 C1 UFX A 57 14.821 21.517 1.132 1.00 0.00 C +HETATM 674 C2 UFX A 57 16.063 21.724 2.017 1.00 0.00 C +HETATM 675 C3 UFX A 57 15.838 21.218 3.448 1.00 0.00 C +HETATM 676 O1 UFX A 57 14.781 21.946 4.064 1.00 0.00 O +HETATM 677 H1 UFX A 57 14.557 20.461 1.081 1.00 0.00 H +HETATM 678 H2 UFX A 57 13.967 22.068 1.528 1.00 0.00 H +HETATM 679 H3 UFX A 57 15.017 21.873 0.121 1.00 0.00 H +HETATM 680 H4 UFX A 57 16.908 21.192 1.579 1.00 0.00 H +HETATM 681 H5 UFX A 57 16.326 22.782 2.041 1.00 0.00 H +HETATM 682 H6 UFX A 57 16.753 21.343 4.027 1.00 0.00 H +HETATM 683 H7 UFX A 57 15.598 20.154 3.436 1.00 0.00 H +HETATM 684 H8 UFX A 57 14.991 22.902 4.127 1.00 0.00 H +HETATM 685 C1 UFX A 58 5.517 24.660 0.849 1.00 0.00 C +HETATM 686 C2 UFX A 58 7.005 24.749 1.218 1.00 0.00 C +HETATM 687 C3 UFX A 58 7.435 23.603 2.144 1.00 0.00 C +HETATM 688 O1 UFX A 58 6.690 23.641 3.361 1.00 0.00 O +HETATM 689 H1 UFX A 58 5.287 23.681 0.429 1.00 0.00 H +HETATM 690 H2 UFX A 58 4.894 24.820 1.729 1.00 0.00 H +HETATM 691 H3 UFX A 58 5.267 25.421 0.109 1.00 0.00 H +HETATM 692 H4 UFX A 58 7.601 24.705 0.306 1.00 0.00 H +HETATM 693 H5 UFX A 58 7.211 25.708 1.692 1.00 0.00 H +HETATM 694 H6 UFX A 58 8.501 23.695 2.357 1.00 0.00 H +HETATM 695 H7 UFX A 58 7.284 22.646 1.646 1.00 0.00 H +HETATM 696 H8 UFX A 58 6.683 24.537 3.760 1.00 0.00 H +HETATM 697 C1 UFX A 59 19.505 21.901 18.821 1.00 0.00 C +HETATM 698 C2 UFX A 59 20.145 20.549 18.463 1.00 0.00 C +HETATM 699 C3 UFX A 59 19.623 19.405 19.344 1.00 0.00 C +HETATM 700 O1 UFX A 59 19.937 19.648 20.715 1.00 0.00 O +HETATM 701 H1 UFX A 59 18.423 21.855 18.700 1.00 0.00 H +HETATM 702 H2 UFX A 59 19.729 22.176 19.851 1.00 0.00 H +HETATM 703 H3 UFX A 59 19.889 22.682 18.164 1.00 0.00 H +HETATM 704 H4 UFX A 59 19.937 20.320 17.418 1.00 0.00 H +HETATM 705 H5 UFX A 59 21.228 20.621 18.562 1.00 0.00 H +HETATM 706 H6 UFX A 59 20.079 18.468 19.023 1.00 0.00 H +HETATM 707 H7 UFX A 59 18.545 19.296 19.222 1.00 0.00 H +HETATM 708 H8 UFX A 59 20.890 19.846 20.838 1.00 0.00 H +HETATM 709 C1 UFX A 60 32.575 8.173 20.140 1.00 0.00 C +HETATM 710 C2 UFX A 60 32.695 7.131 19.017 1.00 0.00 C +HETATM 711 C3 UFX A 60 31.851 5.879 19.308 1.00 0.00 C +HETATM 712 O1 UFX A 60 32.282 5.255 20.518 1.00 0.00 O +HETATM 713 H1 UFX A 60 31.532 8.454 20.290 1.00 0.00 H +HETATM 714 H2 UFX A 60 32.966 7.779 21.078 1.00 0.00 H +HETATM 715 H3 UFX A 60 33.141 9.070 19.887 1.00 0.00 H +HETATM 716 H4 UFX A 60 32.359 7.574 18.080 1.00 0.00 H +HETATM 717 H5 UFX A 60 33.740 6.849 18.886 1.00 0.00 H +HETATM 718 H6 UFX A 60 31.945 5.176 18.481 1.00 0.00 H +HETATM 719 H7 UFX A 60 30.799 6.155 19.388 1.00 0.00 H +HETATM 720 H8 UFX A 60 33.251 5.104 20.523 1.00 0.00 H +HETATM 721 C1 UFX A 61 13.725 1.923 31.146 1.00 0.00 C +HETATM 722 C2 UFX A 61 13.246 1.788 29.690 1.00 0.00 C +HETATM 723 C3 UFX A 61 14.242 2.405 28.694 1.00 0.00 C +HETATM 724 O1 UFX A 61 14.372 3.804 28.931 1.00 0.00 O +HETATM 725 H1 UFX A 61 14.680 1.416 31.283 1.00 0.00 H +HETATM 726 H2 UFX A 61 13.842 2.972 31.420 1.00 0.00 H +HETATM 727 H3 UFX A 61 12.998 1.472 31.823 1.00 0.00 H +HETATM 728 H4 UFX A 61 13.115 0.732 29.454 1.00 0.00 H +HETATM 729 H5 UFX A 61 12.274 2.267 29.577 1.00 0.00 H +HETATM 730 H6 UFX A 61 13.886 2.240 27.677 1.00 0.00 H +HETATM 731 H7 UFX A 61 15.215 1.921 28.785 1.00 0.00 H +HETATM 732 H8 UFX A 61 13.497 4.247 28.967 1.00 0.00 H +HETATM 733 C1 UFX A 62 11.429 31.593 11.619 1.00 0.00 C +HETATM 734 C2 UFX A 62 12.326 31.561 12.867 1.00 0.00 C +HETATM 735 C3 UFX A 62 13.805 31.382 12.497 1.00 0.00 C +HETATM 736 O1 UFX A 62 14.004 30.125 11.857 1.00 0.00 O +HETATM 737 H1 UFX A 62 11.750 32.377 10.934 1.00 0.00 H +HETATM 738 H2 UFX A 62 11.464 30.637 11.095 1.00 0.00 H +HETATM 739 H3 UFX A 62 10.395 31.790 11.905 1.00 0.00 H +HETATM 740 H4 UFX A 62 12.208 32.495 13.416 1.00 0.00 H +HETATM 741 H5 UFX A 62 12.010 30.754 13.528 1.00 0.00 H +HETATM 742 H6 UFX A 62 14.418 31.433 13.397 1.00 0.00 H +HETATM 743 H7 UFX A 62 14.123 32.188 11.836 1.00 0.00 H +HETATM 744 H8 UFX A 62 13.769 29.375 12.444 1.00 0.00 H +HETATM 745 C1 UFX A 63 25.267 5.907 9.145 1.00 0.00 C +HETATM 746 C2 UFX A 63 25.275 7.113 8.189 1.00 0.00 C +HETATM 747 C3 UFX A 63 24.461 6.839 6.913 1.00 0.00 C +HETATM 748 O1 UFX A 63 25.030 5.738 6.202 1.00 0.00 O +HETATM 749 H1 UFX A 63 24.247 5.659 9.436 1.00 0.00 H +HETATM 750 H2 UFX A 63 25.717 5.035 8.670 1.00 0.00 H +HETATM 751 H3 UFX A 63 25.836 6.137 10.046 1.00 0.00 H +HETATM 752 H4 UFX A 63 24.850 7.976 8.702 1.00 0.00 H +HETATM 753 H5 UFX A 63 26.302 7.366 7.925 1.00 0.00 H +HETATM 754 H6 UFX A 63 24.459 7.726 6.279 1.00 0.00 H +HETATM 755 H7 UFX A 63 23.424 6.625 7.170 1.00 0.00 H +HETATM 756 H8 UFX A 63 25.986 5.870 6.024 1.00 0.00 H +HETATM 757 C1 UFX A 64 29.082 8.980 3.651 1.00 0.00 C +HETATM 758 C2 UFX A 64 27.921 7.974 3.716 1.00 0.00 C +HETATM 759 C3 UFX A 64 26.609 8.642 4.150 1.00 0.00 C +HETATM 760 O1 UFX A 64 26.727 9.141 5.484 1.00 0.00 O +HETATM 761 H1 UFX A 64 28.858 9.774 2.939 1.00 0.00 H +HETATM 762 H2 UFX A 64 29.264 9.425 4.629 1.00 0.00 H +HETATM 763 H3 UFX A 64 29.995 8.478 3.327 1.00 0.00 H +HETATM 764 H4 UFX A 64 27.782 7.527 2.732 1.00 0.00 H +HETATM 765 H5 UFX A 64 28.169 7.167 4.405 1.00 0.00 H +HETATM 766 H6 UFX A 64 25.796 7.918 4.096 1.00 0.00 H +HETATM 767 H7 UFX A 64 26.369 9.457 3.466 1.00 0.00 H +HETATM 768 H8 UFX A 64 27.063 8.455 6.099 1.00 0.00 H +HETATM 769 C1 UFX A 65 19.876 5.316 9.041 1.00 0.00 C +HETATM 770 C2 UFX A 65 18.913 5.938 10.066 1.00 0.00 C +HETATM 771 C3 UFX A 65 18.852 7.471 9.993 1.00 0.00 C +HETATM 772 O1 UFX A 65 20.155 8.041 10.076 1.00 0.00 O +HETATM 773 H1 UFX A 65 19.599 5.601 8.026 1.00 0.00 H +HETATM 774 H2 UFX A 65 20.902 5.631 9.228 1.00 0.00 H +HETATM 775 H3 UFX A 65 19.835 4.229 9.113 1.00 0.00 H +HETATM 776 H4 UFX A 65 17.914 5.536 9.897 1.00 0.00 H +HETATM 777 H5 UFX A 65 19.214 5.636 11.069 1.00 0.00 H +HETATM 778 H6 UFX A 65 18.236 7.840 10.813 1.00 0.00 H +HETATM 779 H7 UFX A 65 18.369 7.780 9.066 1.00 0.00 H +HETATM 780 H8 UFX A 65 20.609 7.801 10.912 1.00 0.00 H +HETATM 781 C1 UFX A 66 25.046 25.551 12.092 1.00 0.00 C +HETATM 782 C2 UFX A 66 24.904 27.060 12.353 1.00 0.00 C +HETATM 783 C3 UFX A 66 23.534 27.402 12.957 1.00 0.00 C +HETATM 784 O1 UFX A 66 22.513 27.256 11.973 1.00 0.00 O +HETATM 785 H1 UFX A 66 24.959 24.993 13.024 1.00 0.00 H +HETATM 786 H2 UFX A 66 24.274 25.200 11.408 1.00 0.00 H +HETATM 787 H3 UFX A 66 26.021 25.336 11.653 1.00 0.00 H +HETATM 788 H4 UFX A 66 25.685 27.373 13.047 1.00 0.00 H +HETATM 789 H5 UFX A 66 25.048 27.616 11.427 1.00 0.00 H +HETATM 790 H6 UFX A 66 23.539 28.430 13.320 1.00 0.00 H +HETATM 791 H7 UFX A 66 23.330 26.755 13.810 1.00 0.00 H +HETATM 792 H8 UFX A 66 22.568 27.957 11.288 1.00 0.00 H +HETATM 793 C1 UFX A 67 1.053 6.483 25.557 1.00 0.00 C +HETATM 794 C2 UFX A 67 0.522 7.514 26.567 1.00 0.00 C +HETATM 795 C3 UFX A 67 0.810 8.954 26.117 1.00 0.00 C +HETATM 796 O1 UFX A 67 2.217 9.173 26.039 1.00 0.00 O +HETATM 797 H1 UFX A 67 0.605 6.645 24.577 1.00 0.00 H +HETATM 798 H2 UFX A 67 2.137 6.559 25.462 1.00 0.00 H +HETATM 799 H3 UFX A 67 0.808 5.473 25.887 1.00 0.00 H +HETATM 800 H4 UFX A 67 -0.555 7.383 26.679 1.00 0.00 H +HETATM 801 H5 UFX A 67 0.969 7.339 27.546 1.00 0.00 H +HETATM 802 H6 UFX A 67 0.368 9.654 26.827 1.00 0.00 H +HETATM 803 H7 UFX A 67 0.353 9.137 25.145 1.00 0.00 H +HETATM 804 H8 UFX A 67 2.669 8.941 26.878 1.00 0.00 H +HETATM 805 C1 UFX A 68 5.002 32.876 12.358 1.00 0.00 C +HETATM 806 C2 UFX A 68 4.095 32.111 13.338 1.00 0.00 C +HETATM 807 C3 UFX A 68 4.882 31.599 14.553 1.00 0.00 C +HETATM 808 O1 UFX A 68 5.827 30.610 14.144 1.00 0.00 O +HETATM 809 H1 UFX A 68 5.469 33.726 12.857 1.00 0.00 H +HETATM 810 H2 UFX A 68 5.786 32.226 11.970 1.00 0.00 H +HETATM 811 H3 UFX A 68 4.419 33.251 11.517 1.00 0.00 H +HETATM 812 H4 UFX A 68 3.302 32.776 13.681 1.00 0.00 H +HETATM 813 H5 UFX A 68 3.617 31.275 12.827 1.00 0.00 H +HETATM 814 H6 UFX A 68 4.193 31.171 15.282 1.00 0.00 H +HETATM 815 H7 UFX A 68 5.395 32.429 15.039 1.00 0.00 H +HETATM 816 H8 UFX A 68 5.385 29.777 13.871 1.00 0.00 H +HETATM 817 C1 UFX A 69 20.581 14.432 1.326 1.00 0.00 C +HETATM 818 C2 UFX A 69 21.547 15.549 0.900 1.00 0.00 C +HETATM 819 C3 UFX A 69 22.889 14.980 0.417 1.00 0.00 C +HETATM 820 O1 UFX A 69 23.555 14.330 1.495 1.00 0.00 O +HETATM 821 H1 UFX A 69 20.392 13.753 0.494 1.00 0.00 H +HETATM 822 H2 UFX A 69 20.993 13.858 2.156 1.00 0.00 H +HETATM 823 H3 UFX A 69 19.631 14.860 1.648 1.00 0.00 H +HETATM 824 H4 UFX A 69 21.091 16.126 0.096 1.00 0.00 H +HETATM 825 H5 UFX A 69 21.713 16.230 1.735 1.00 0.00 H +HETATM 826 H6 UFX A 69 23.515 15.786 0.034 1.00 0.00 H +HETATM 827 H7 UFX A 69 22.724 14.274 -0.398 1.00 0.00 H +HETATM 828 H8 UFX A 69 23.728 14.944 2.241 1.00 0.00 H +HETATM 829 C1 UFX A 70 17.999 21.856 10.634 1.00 0.00 C +HETATM 830 C2 UFX A 70 17.797 23.274 10.074 1.00 0.00 C +HETATM 831 C3 UFX A 70 19.053 23.791 9.353 1.00 0.00 C +HETATM 832 O1 UFX A 70 20.161 23.858 10.247 1.00 0.00 O +HETATM 833 H1 UFX A 70 18.275 21.166 9.837 1.00 0.00 H +HETATM 834 H2 UFX A 70 18.783 21.853 11.391 1.00 0.00 H +HETATM 835 H3 UFX A 70 17.076 21.502 11.093 1.00 0.00 H +HETATM 836 H4 UFX A 70 16.961 23.267 9.374 1.00 0.00 H +HETATM 837 H5 UFX A 70 17.531 23.952 10.884 1.00 0.00 H +HETATM 838 H6 UFX A 70 18.859 24.781 8.940 1.00 0.00 H +HETATM 839 H7 UFX A 70 19.295 23.130 8.520 1.00 0.00 H +HETATM 840 H8 UFX A 70 20.042 24.551 10.930 1.00 0.00 H +HETATM 841 C1 UFX A 71 22.772 23.650 19.125 1.00 0.00 C +HETATM 842 C2 UFX A 71 24.124 23.478 18.417 1.00 0.00 C +HETATM 843 C3 UFX A 71 23.980 22.702 17.101 1.00 0.00 C +HETATM 844 O1 UFX A 71 23.553 21.368 17.358 1.00 0.00 O +HETATM 845 H1 UFX A 71 22.062 24.163 18.476 1.00 0.00 H +HETATM 846 H2 UFX A 71 22.357 22.679 19.394 1.00 0.00 H +HETATM 847 H3 UFX A 71 22.894 24.238 20.035 1.00 0.00 H +HETATM 848 H4 UFX A 71 24.541 24.463 18.208 1.00 0.00 H +HETATM 849 H5 UFX A 71 24.821 22.958 19.074 1.00 0.00 H +HETATM 850 H6 UFX A 71 24.935 22.683 16.577 1.00 0.00 H +HETATM 851 H7 UFX A 71 23.260 23.202 16.452 1.00 0.00 H +HETATM 852 H8 UFX A 71 24.248 20.838 17.805 1.00 0.00 H +HETATM 853 C1 UFX A 72 15.753 21.549 17.525 1.00 0.00 C +HETATM 854 C2 UFX A 72 15.793 20.334 18.468 1.00 0.00 C +HETATM 855 C3 UFX A 72 14.462 20.118 19.190 1.00 0.00 C +HETATM 856 O1 UFX A 72 14.179 21.232 20.023 1.00 0.00 O +HETATM 857 H1 UFX A 72 14.966 21.433 16.779 1.00 0.00 H +HETATM 858 H2 UFX A 72 15.569 22.466 18.086 1.00 0.00 H +HETATM 859 H3 UFX A 72 16.702 21.652 16.998 1.00 0.00 H +HETATM 860 H4 UFX A 72 16.027 19.439 17.892 1.00 0.00 H +HETATM 861 H5 UFX A 72 16.586 20.463 19.205 1.00 0.00 H +HETATM 862 H6 UFX A 72 14.511 19.214 19.796 1.00 0.00 H +HETATM 863 H7 UFX A 72 13.663 19.983 18.460 1.00 0.00 H +HETATM 864 H8 UFX A 72 14.778 21.273 20.799 1.00 0.00 H +HETATM 865 C1 UFX A 73 4.555 9.587 21.691 1.00 0.00 C +HETATM 866 C2 UFX A 73 3.636 9.085 20.564 1.00 0.00 C +HETATM 867 C3 UFX A 73 4.421 8.585 19.341 1.00 0.00 C +HETATM 868 O1 UFX A 73 5.249 9.622 18.816 1.00 0.00 O +HETATM 869 H1 UFX A 73 5.216 8.789 22.031 1.00 0.00 H +HETATM 870 H2 UFX A 73 5.163 10.427 21.353 1.00 0.00 H +HETATM 871 H3 UFX A 73 3.956 9.916 22.540 1.00 0.00 H +HETATM 872 H4 UFX A 73 3.016 8.273 20.945 1.00 0.00 H +HETATM 873 H5 UFX A 73 2.960 9.885 20.262 1.00 0.00 H +HETATM 874 H6 UFX A 73 3.721 8.253 18.574 1.00 0.00 H +HETATM 875 H7 UFX A 73 5.034 7.726 19.614 1.00 0.00 H +HETATM 876 H8 UFX A 73 4.769 10.474 18.747 1.00 0.00 H +HETATM 877 C1 UFX A 74 6.060 1.089 26.883 1.00 0.00 C +HETATM 878 C2 UFX A 74 7.020 -0.106 26.741 1.00 0.00 C +HETATM 879 C3 UFX A 74 8.043 -0.161 27.886 1.00 0.00 C +HETATM 880 O1 UFX A 74 8.885 0.989 27.859 1.00 0.00 O +HETATM 881 H1 UFX A 74 5.518 1.033 27.827 1.00 0.00 H +HETATM 882 H2 UFX A 74 6.607 2.031 26.852 1.00 0.00 H +HETATM 883 H3 UFX A 74 5.335 1.088 26.069 1.00 0.00 H +HETATM 884 H4 UFX A 74 6.441 -1.030 26.740 1.00 0.00 H +HETATM 885 H5 UFX A 74 7.539 -0.053 25.783 1.00 0.00 H +HETATM 886 H6 UFX A 74 8.652 -1.060 27.790 1.00 0.00 H +HETATM 887 H7 UFX A 74 7.525 -0.215 28.843 1.00 0.00 H +HETATM 888 H8 UFX A 74 9.404 1.047 27.028 1.00 0.00 H +HETATM 889 C1 UFX A 75 30.235 11.887 17.114 1.00 0.00 C +HETATM 890 C2 UFX A 75 31.092 11.586 18.353 1.00 0.00 C +HETATM 891 C3 UFX A 75 30.253 11.065 19.529 1.00 0.00 C +HETATM 892 O1 UFX A 75 29.276 12.031 19.913 1.00 0.00 O +HETATM 893 H1 UFX A 75 29.733 10.984 16.766 1.00 0.00 H +HETATM 894 H2 UFX A 75 29.481 12.642 17.335 1.00 0.00 H +HETATM 895 H3 UFX A 75 30.860 12.264 16.305 1.00 0.00 H +HETATM 896 H4 UFX A 75 31.845 10.842 18.094 1.00 0.00 H +HETATM 897 H5 UFX A 75 31.625 12.487 18.657 1.00 0.00 H +HETATM 898 H6 UFX A 75 30.908 10.856 20.374 1.00 0.00 H +HETATM 899 H7 UFX A 75 29.762 10.131 19.255 1.00 0.00 H +HETATM 900 H8 UFX A 75 29.671 12.919 20.047 1.00 0.00 H +HETATM 901 C1 UFX A 76 12.199 26.935 4.393 1.00 0.00 C +HETATM 902 C2 UFX A 76 11.378 26.524 3.159 1.00 0.00 C +HETATM 903 C3 UFX A 76 9.938 27.045 3.225 1.00 0.00 C +HETATM 904 O1 UFX A 76 9.289 26.566 4.403 1.00 0.00 O +HETATM 905 H1 UFX A 76 12.187 28.019 4.509 1.00 0.00 H +HETATM 906 H2 UFX A 76 11.792 26.486 5.299 1.00 0.00 H +HETATM 907 H3 UFX A 76 13.233 26.609 4.282 1.00 0.00 H +HETATM 908 H4 UFX A 76 11.852 26.925 2.263 1.00 0.00 H +HETATM 909 H5 UFX A 76 11.373 25.439 3.060 1.00 0.00 H +HETATM 910 H6 UFX A 76 9.393 26.712 2.341 1.00 0.00 H +HETATM 911 H7 UFX A 76 9.941 28.135 3.220 1.00 0.00 H +HETATM 912 H8 UFX A 76 9.484 25.617 4.559 1.00 0.00 H +HETATM 913 C1 UFX A 77 21.465 19.755 1.187 1.00 0.00 C +HETATM 914 C2 UFX A 77 22.883 19.268 0.838 1.00 0.00 C +HETATM 915 C3 UFX A 77 23.837 19.375 2.039 1.00 0.00 C +HETATM 916 O1 UFX A 77 24.056 20.748 2.369 1.00 0.00 O +HETATM 917 H1 UFX A 77 21.041 19.150 1.988 1.00 0.00 H +HETATM 918 H2 UFX A 77 21.483 20.797 1.509 1.00 0.00 H +HETATM 919 H3 UFX A 77 20.814 19.676 0.316 1.00 0.00 H +HETATM 920 H4 UFX A 77 22.831 18.228 0.514 1.00 0.00 H +HETATM 921 H5 UFX A 77 23.278 19.846 0.002 1.00 0.00 H +HETATM 922 H6 UFX A 77 24.788 18.903 1.793 1.00 0.00 H +HETATM 923 H7 UFX A 77 23.421 18.843 2.895 1.00 0.00 H +HETATM 924 H8 UFX A 77 24.414 21.252 1.608 1.00 0.00 H +HETATM 925 C1 UFX A 78 27.808 28.335 0.520 1.00 0.00 C +HETATM 926 C2 UFX A 78 28.542 29.248 1.518 1.00 0.00 C +HETATM 927 C3 UFX A 78 27.991 29.091 2.945 1.00 0.00 C +HETATM 928 O1 UFX A 78 26.619 29.473 2.994 1.00 0.00 O +HETATM 929 H1 UFX A 78 27.876 27.294 0.835 1.00 0.00 H +HETATM 930 H2 UFX A 78 26.756 28.610 0.447 1.00 0.00 H +HETATM 931 H3 UFX A 78 28.255 28.425 -0.471 1.00 0.00 H +HETATM 932 H4 UFX A 78 29.602 28.996 1.519 1.00 0.00 H +HETATM 933 H5 UFX A 78 28.456 30.288 1.200 1.00 0.00 H +HETATM 934 H6 UFX A 78 28.571 29.709 3.632 1.00 0.00 H +HETATM 935 H7 UFX A 78 28.097 28.055 3.267 1.00 0.00 H +HETATM 936 H8 UFX A 78 26.484 30.395 2.686 1.00 0.00 H +HETATM 937 C1 UFX A 79 31.589 8.858 25.663 1.00 0.00 C +HETATM 938 C2 UFX A 79 31.243 10.002 24.701 1.00 0.00 C +HETATM 939 C3 UFX A 79 31.801 9.762 23.292 1.00 0.00 C +HETATM 940 O1 UFX A 79 33.219 9.618 23.322 1.00 0.00 O +HETATM 941 H1 UFX A 79 31.208 7.909 25.286 1.00 0.00 H +HETATM 942 H2 UFX A 79 32.668 8.781 25.793 1.00 0.00 H +HETATM 943 H3 UFX A 79 31.139 9.050 26.638 1.00 0.00 H +HETATM 944 H4 UFX A 79 30.158 10.100 24.643 1.00 0.00 H +HETATM 945 H5 UFX A 79 31.633 10.941 25.094 1.00 0.00 H +HETATM 946 H6 UFX A 79 31.533 10.599 22.647 1.00 0.00 H +HETATM 947 H7 UFX A 79 31.354 8.863 22.867 1.00 0.00 H +HETATM 948 H8 UFX A 79 33.660 10.389 23.738 1.00 0.00 H +HETATM 949 C1 UFX A 80 23.084 18.040 18.579 1.00 0.00 C +HETATM 950 C2 UFX A 80 24.475 17.725 19.144 1.00 0.00 C +HETATM 951 C3 UFX A 80 25.257 19.000 19.492 1.00 0.00 C +HETATM 952 O1 UFX A 80 25.489 19.769 18.316 1.00 0.00 O +HETATM 953 H1 UFX A 80 22.511 18.630 19.294 1.00 0.00 H +HETATM 954 H2 UFX A 80 23.161 18.599 17.646 1.00 0.00 H +HETATM 955 H3 UFX A 80 22.541 17.117 18.378 1.00 0.00 H +HETATM 956 H4 UFX A 80 24.365 17.119 20.043 1.00 0.00 H +HETATM 957 H5 UFX A 80 25.040 17.135 18.422 1.00 0.00 H +HETATM 958 H6 UFX A 80 26.212 18.728 19.942 1.00 0.00 H +HETATM 959 H7 UFX A 80 24.705 19.593 20.221 1.00 0.00 H +HETATM 960 H8 UFX A 80 25.864 19.222 17.594 1.00 0.00 H +HETATM 961 C1 UFX A 81 17.543 26.556 0.719 1.00 0.00 C +HETATM 962 C2 UFX A 81 17.551 28.093 0.780 1.00 0.00 C +HETATM 963 C3 UFX A 81 16.172 28.659 1.150 1.00 0.00 C +HETATM 964 O1 UFX A 81 15.233 28.378 0.117 1.00 0.00 O +HETATM 965 H1 UFX A 81 17.233 26.136 1.676 1.00 0.00 H +HETATM 966 H2 UFX A 81 16.860 26.204 -0.055 1.00 0.00 H +HETATM 967 H3 UFX A 81 18.541 26.183 0.487 1.00 0.00 H +HETATM 968 H4 UFX A 81 18.279 28.415 1.525 1.00 0.00 H +HETATM 969 H5 UFX A 81 17.872 28.499 -0.179 1.00 0.00 H +HETATM 970 H6 UFX A 81 16.246 29.737 1.292 1.00 0.00 H +HETATM 971 H7 UFX A 81 15.831 28.225 2.090 1.00 0.00 H +HETATM 972 H8 UFX A 81 15.537 28.715 -0.754 1.00 0.00 H +HETATM 973 C1 UFX A 82 9.289 15.092 11.154 1.00 0.00 C +HETATM 974 C2 UFX A 82 10.433 16.115 11.059 1.00 0.00 C +HETATM 975 C3 UFX A 82 10.436 17.103 12.233 1.00 0.00 C +HETATM 976 O1 UFX A 82 9.203 17.814 12.312 1.00 0.00 O +HETATM 977 H1 UFX A 82 9.363 14.522 12.080 1.00 0.00 H +HETATM 978 H2 UFX A 82 8.320 15.591 11.129 1.00 0.00 H +HETATM 979 H3 UFX A 82 9.338 14.396 10.316 1.00 0.00 H +HETATM 980 H4 UFX A 82 11.385 15.584 11.043 1.00 0.00 H +HETATM 981 H5 UFX A 82 10.356 16.662 10.119 1.00 0.00 H +HETATM 982 H6 UFX A 82 11.258 17.808 12.107 1.00 0.00 H +HETATM 983 H7 UFX A 82 10.605 16.567 13.167 1.00 0.00 H +HETATM 984 H8 UFX A 82 9.020 18.321 11.493 1.00 0.00 H +HETATM 985 C1 UFX A 83 14.623 9.665 10.869 1.00 0.00 C +HETATM 986 C2 UFX A 83 15.304 10.857 10.177 1.00 0.00 C +HETATM 987 C3 UFX A 83 15.277 12.114 11.058 1.00 0.00 C +HETATM 988 O1 UFX A 83 13.937 12.530 11.317 1.00 0.00 O +HETATM 989 H1 UFX A 83 15.127 9.431 11.806 1.00 0.00 H +HETATM 990 H2 UFX A 83 13.578 9.893 11.084 1.00 0.00 H +HETATM 991 H3 UFX A 83 14.655 8.786 10.225 1.00 0.00 H +HETATM 992 H4 UFX A 83 16.340 10.599 9.955 1.00 0.00 H +HETATM 993 H5 UFX A 83 14.815 11.063 9.225 1.00 0.00 H +HETATM 994 H6 UFX A 83 15.820 12.919 10.562 1.00 0.00 H +HETATM 995 H7 UFX A 83 15.784 11.911 12.002 1.00 0.00 H +HETATM 996 H8 UFX A 83 13.457 12.781 10.499 1.00 0.00 H +HETATM 997 C1 UFX A 84 23.035 23.883 27.033 1.00 0.00 C +HETATM 998 C2 UFX A 84 23.802 25.065 26.420 1.00 0.00 C +HETATM 999 C3 UFX A 84 23.958 24.919 24.900 1.00 0.00 C +HETATM 1000 O1 UFX A 84 24.755 23.778 24.581 1.00 0.00 O +HETATM 1001 H1 UFX A 84 22.049 23.790 26.576 1.00 0.00 H +HETATM 1002 H2 UFX A 84 23.581 22.952 26.879 1.00 0.00 H +HETATM 1003 H3 UFX A 84 22.906 24.034 28.105 1.00 0.00 H +HETATM 1004 H4 UFX A 84 23.255 25.984 26.629 1.00 0.00 H +HETATM 1005 H5 UFX A 84 24.784 25.156 26.885 1.00 0.00 H +HETATM 1006 H6 UFX A 84 24.434 25.814 24.497 1.00 0.00 H +HETATM 1007 H7 UFX A 84 22.975 24.834 24.438 1.00 0.00 H +HETATM 1008 H8 UFX A 84 25.679 23.890 24.890 1.00 0.00 H +HETATM 1009 C1 UFX A 85 30.901 3.407 28.292 1.00 0.00 C +HETATM 1010 C2 UFX A 85 30.386 3.588 26.854 1.00 0.00 C +HETATM 1011 C3 UFX A 85 28.878 3.321 26.754 1.00 0.00 C +HETATM 1012 O1 UFX A 85 28.592 1.971 27.118 1.00 0.00 O +HETATM 1013 H1 UFX A 85 30.357 4.057 28.977 1.00 0.00 H +HETATM 1014 H2 UFX A 85 30.774 2.375 28.621 1.00 0.00 H +HETATM 1015 H3 UFX A 85 31.961 3.654 28.346 1.00 0.00 H +HETATM 1016 H4 UFX A 85 30.589 4.607 26.526 1.00 0.00 H +HETATM 1017 H5 UFX A 85 30.924 2.916 26.185 1.00 0.00 H +HETATM 1018 H6 UFX A 85 28.534 3.507 25.736 1.00 0.00 H +HETATM 1019 H7 UFX A 85 28.341 4.006 27.409 1.00 0.00 H +HETATM 1020 H8 UFX A 85 28.988 1.332 26.488 1.00 0.00 H +HETATM 1021 C1 UFX A 86 25.229 26.114 21.444 1.00 0.00 C +HETATM 1022 C2 UFX A 86 24.568 27.492 21.262 1.00 0.00 C +HETATM 1023 C3 UFX A 86 23.746 27.905 22.493 1.00 0.00 C +HETATM 1024 O1 UFX A 86 22.676 26.987 22.706 1.00 0.00 O +HETATM 1025 H1 UFX A 86 25.896 26.120 22.307 1.00 0.00 H +HETATM 1026 H2 UFX A 86 24.477 25.339 21.596 1.00 0.00 H +HETATM 1027 H3 UFX A 86 25.812 25.857 20.560 1.00 0.00 H +HETATM 1028 H4 UFX A 86 25.343 28.239 21.085 1.00 0.00 H +HETATM 1029 H5 UFX A 86 23.924 27.477 20.383 1.00 0.00 H +HETATM 1030 H6 UFX A 86 23.344 28.907 22.344 1.00 0.00 H +HETATM 1031 H7 UFX A 86 24.387 27.938 23.375 1.00 0.00 H +HETATM 1032 H8 UFX A 86 22.040 26.987 21.959 1.00 0.00 H +HETATM 1033 C1 UFX A 87 13.796 24.525 9.292 1.00 0.00 C +HETATM 1034 C2 UFX A 87 12.823 23.434 9.774 1.00 0.00 C +HETATM 1035 C3 UFX A 87 13.557 22.295 10.500 1.00 0.00 C +HETATM 1036 O1 UFX A 87 14.476 21.660 9.617 1.00 0.00 O +HETATM 1037 H1 UFX A 87 14.340 24.952 10.134 1.00 0.00 H +HETATM 1038 H2 UFX A 87 14.520 24.109 8.591 1.00 0.00 H +HETATM 1039 H3 UFX A 87 13.249 25.323 8.789 1.00 0.00 H +HETATM 1040 H4 UFX A 87 12.090 23.876 10.450 1.00 0.00 H +HETATM 1041 H5 UFX A 87 12.272 23.029 8.925 1.00 0.00 H +HETATM 1042 H6 UFX A 87 12.834 21.562 10.859 1.00 0.00 H +HETATM 1043 H7 UFX A 87 14.089 22.686 11.368 1.00 0.00 H +HETATM 1044 H8 UFX A 87 14.032 21.329 8.807 1.00 0.00 H +HETATM 1045 C1 UFX A 88 26.456 11.886 23.282 1.00 0.00 C +HETATM 1046 C2 UFX A 88 25.232 11.959 24.209 1.00 0.00 C +HETATM 1047 C3 UFX A 88 25.034 10.663 25.011 1.00 0.00 C +HETATM 1048 O1 UFX A 88 25.016 9.521 24.157 1.00 0.00 O +HETATM 1049 H1 UFX A 88 27.347 11.619 23.850 1.00 0.00 H +HETATM 1050 H2 UFX A 88 26.303 11.143 22.498 1.00 0.00 H +HETATM 1051 H3 UFX A 88 26.623 12.851 22.804 1.00 0.00 H +HETATM 1052 H4 UFX A 88 25.357 12.791 24.902 1.00 0.00 H +HETATM 1053 H5 UFX A 88 24.339 12.170 23.619 1.00 0.00 H +HETATM 1054 H6 UFX A 88 24.099 10.716 25.570 1.00 0.00 H +HETATM 1055 H7 UFX A 88 25.842 10.563 25.736 1.00 0.00 H +HETATM 1056 H8 UFX A 88 24.378 9.627 23.419 1.00 0.00 H +HETATM 1057 C1 UFX A 89 8.938 26.032 14.687 1.00 0.00 C +HETATM 1058 C2 UFX A 89 9.230 24.566 14.321 1.00 0.00 C +HETATM 1059 C3 UFX A 89 8.750 23.597 15.406 1.00 0.00 C +HETATM 1060 O1 UFX A 89 9.425 23.854 16.633 1.00 0.00 O +HETATM 1061 H1 UFX A 89 7.878 26.166 14.902 1.00 0.00 H +HETATM 1062 H2 UFX A 89 9.512 26.332 15.563 1.00 0.00 H +HETATM 1063 H3 UFX A 89 9.206 26.689 13.859 1.00 0.00 H +HETATM 1064 H4 UFX A 89 8.721 24.319 13.389 1.00 0.00 H +HETATM 1065 H5 UFX A 89 10.299 24.432 14.153 1.00 0.00 H +HETATM 1066 H6 UFX A 89 8.943 22.572 15.087 1.00 0.00 H +HETATM 1067 H7 UFX A 89 7.675 23.702 15.550 1.00 0.00 H +HETATM 1068 H8 UFX A 89 10.391 23.957 16.501 1.00 0.00 H +HETATM 1069 C1 UFX A 90 6.569 10.392 33.528 1.00 0.00 C +HETATM 1070 C2 UFX A 90 5.618 9.591 32.623 1.00 0.00 C +HETATM 1071 C3 UFX A 90 5.434 8.154 33.128 1.00 0.00 C +HETATM 1072 O1 UFX A 90 6.659 7.436 33.007 1.00 0.00 O +HETATM 1073 H1 UFX A 90 6.168 10.454 34.540 1.00 0.00 H +HETATM 1074 H2 UFX A 90 7.553 9.924 33.572 1.00 0.00 H +HETATM 1075 H3 UFX A 90 6.688 11.405 33.143 1.00 0.00 H +HETATM 1076 H4 UFX A 90 4.648 10.087 32.603 1.00 0.00 H +HETATM 1077 H5 UFX A 90 6.000 9.576 31.602 1.00 0.00 H +HETATM 1078 H6 UFX A 90 4.661 7.655 32.543 1.00 0.00 H +HETATM 1079 H7 UFX A 90 5.105 8.161 34.167 1.00 0.00 H +HETATM 1080 H8 UFX A 90 6.977 7.410 32.079 1.00 0.00 H +HETATM 1081 C1 UFX A 91 17.797 12.111 0.826 1.00 0.00 C +HETATM 1082 C2 UFX A 91 17.677 11.998 2.356 1.00 0.00 C +HETATM 1083 C3 UFX A 91 17.609 10.535 2.819 1.00 0.00 C +HETATM 1084 O1 UFX A 91 16.474 9.891 2.245 1.00 0.00 O +HETATM 1085 H1 UFX A 91 18.688 11.590 0.477 1.00 0.00 H +HETATM 1086 H2 UFX A 91 16.924 11.674 0.339 1.00 0.00 H +HETATM 1087 H3 UFX A 91 17.866 13.158 0.530 1.00 0.00 H +HETATM 1088 H4 UFX A 91 18.537 12.481 2.821 1.00 0.00 H +HETATM 1089 H5 UFX A 91 16.788 12.530 2.696 1.00 0.00 H +HETATM 1090 H6 UFX A 91 17.539 10.500 3.906 1.00 0.00 H +HETATM 1091 H7 UFX A 91 18.519 10.009 2.529 1.00 0.00 H +HETATM 1092 H8 UFX A 91 15.642 10.370 2.451 1.00 0.00 H +HETATM 1093 C1 UFX A 92 30.713 2.871 15.924 1.00 0.00 C +HETATM 1094 C2 UFX A 92 29.760 1.679 16.118 1.00 0.00 C +HETATM 1095 C3 UFX A 92 29.183 1.183 14.787 1.00 0.00 C +HETATM 1096 O1 UFX A 92 28.416 2.213 14.173 1.00 0.00 O +HETATM 1097 H1 UFX A 92 31.540 2.595 15.270 1.00 0.00 H +HETATM 1098 H2 UFX A 92 30.185 3.714 15.477 1.00 0.00 H +HETATM 1099 H3 UFX A 92 31.119 3.188 16.884 1.00 0.00 H +HETATM 1100 H4 UFX A 92 30.299 0.863 16.602 1.00 0.00 H +HETATM 1101 H5 UFX A 92 28.941 1.964 16.778 1.00 0.00 H +HETATM 1102 H6 UFX A 92 28.551 0.313 14.963 1.00 0.00 H +HETATM 1103 H7 UFX A 92 29.993 0.877 14.124 1.00 0.00 H +HETATM 1104 H8 UFX A 92 27.714 2.550 14.770 1.00 0.00 H +HETATM 1105 C1 UFX A 93 28.992 3.889 7.825 1.00 0.00 C +HETATM 1106 C2 UFX A 93 28.017 3.254 6.820 1.00 0.00 C +HETATM 1107 C3 UFX A 93 27.088 2.226 7.483 1.00 0.00 C +HETATM 1108 O1 UFX A 93 27.836 1.162 8.064 1.00 0.00 O +HETATM 1109 H1 UFX A 93 28.448 4.341 8.655 1.00 0.00 H +HETATM 1110 H2 UFX A 93 29.676 3.138 8.221 1.00 0.00 H +HETATM 1111 H3 UFX A 93 29.585 4.662 7.338 1.00 0.00 H +HETATM 1112 H4 UFX A 93 27.409 4.039 6.369 1.00 0.00 H +HETATM 1113 H5 UFX A 93 28.577 2.779 6.014 1.00 0.00 H +HETATM 1114 H6 UFX A 93 26.409 1.820 6.733 1.00 0.00 H +HETATM 1115 H7 UFX A 93 26.484 2.712 8.250 1.00 0.00 H +HETATM 1116 H8 UFX A 93 28.426 0.731 7.410 1.00 0.00 H +HETATM 1117 C1 UFX A 94 17.569 17.241 27.246 1.00 0.00 C +HETATM 1118 C2 UFX A 94 18.274 17.127 25.885 1.00 0.00 C +HETATM 1119 C3 UFX A 94 19.710 16.604 26.029 1.00 0.00 C +HETATM 1120 O1 UFX A 94 20.507 17.537 26.759 1.00 0.00 O +HETATM 1121 H1 UFX A 94 17.549 16.275 27.749 1.00 0.00 H +HETATM 1122 H2 UFX A 94 18.084 17.957 27.887 1.00 0.00 H +HETATM 1123 H3 UFX A 94 16.541 17.579 27.109 1.00 0.00 H +HETATM 1124 H4 UFX A 94 17.710 16.445 25.248 1.00 0.00 H +HETATM 1125 H5 UFX A 94 18.283 18.097 25.388 1.00 0.00 H +HETATM 1126 H6 UFX A 94 20.143 16.449 25.041 1.00 0.00 H +HETATM 1127 H7 UFX A 94 19.700 15.641 26.539 1.00 0.00 H +HETATM 1128 H8 UFX A 94 20.505 18.422 26.335 1.00 0.00 H +HETATM 1129 C1 UFX A 95 5.014 10.319 8.210 1.00 0.00 C +HETATM 1130 C2 UFX A 95 6.302 11.145 8.390 1.00 0.00 C +HETATM 1131 C3 UFX A 95 6.044 12.642 8.160 1.00 0.00 C +HETATM 1132 O1 UFX A 95 5.659 12.873 6.807 1.00 0.00 O +HETATM 1133 H1 UFX A 95 4.250 10.648 8.915 1.00 0.00 H +HETATM 1134 H2 UFX A 95 4.622 10.431 7.199 1.00 0.00 H +HETATM 1135 H3 UFX A 95 5.207 9.260 8.384 1.00 0.00 H +HETATM 1136 H4 UFX A 95 6.681 11.006 9.403 1.00 0.00 H +HETATM 1137 H5 UFX A 95 7.071 10.794 7.702 1.00 0.00 H +HETATM 1138 H6 UFX A 95 6.945 13.213 8.388 1.00 0.00 H +HETATM 1139 H7 UFX A 95 5.258 12.988 8.832 1.00 0.00 H +HETATM 1140 H8 UFX A 95 6.400 12.718 6.184 1.00 0.00 H +HETATM 1141 C1 UFX A 96 23.371 31.866 19.374 1.00 0.00 C +HETATM 1142 C2 UFX A 96 22.450 32.818 20.155 1.00 0.00 C +HETATM 1143 C3 UFX A 96 22.637 32.667 21.672 1.00 0.00 C +HETATM 1144 O1 UFX A 96 22.258 31.357 22.079 1.00 0.00 O +HETATM 1145 H1 UFX A 96 24.416 32.081 19.598 1.00 0.00 H +HETATM 1146 H2 UFX A 96 23.165 30.828 19.635 1.00 0.00 H +HETATM 1147 H3 UFX A 96 23.216 31.986 18.301 1.00 0.00 H +HETATM 1148 H4 UFX A 96 22.669 33.847 19.868 1.00 0.00 H +HETATM 1149 H5 UFX A 96 21.410 32.622 19.895 1.00 0.00 H +HETATM 1150 H6 UFX A 96 22.021 33.402 22.192 1.00 0.00 H +HETATM 1151 H7 UFX A 96 23.676 32.858 21.942 1.00 0.00 H +HETATM 1152 H8 UFX A 96 21.314 31.179 21.878 1.00 0.00 H +HETATM 1153 C1 UFX A 97 19.473 14.543 29.455 1.00 0.00 C +HETATM 1154 C2 UFX A 97 19.850 15.892 30.085 1.00 0.00 C +HETATM 1155 C3 UFX A 97 19.009 16.189 31.334 1.00 0.00 C +HETATM 1156 O1 UFX A 97 17.636 16.330 30.972 1.00 0.00 O +HETATM 1157 H1 UFX A 97 19.655 13.736 30.165 1.00 0.00 H +HETATM 1158 H2 UFX A 97 18.420 14.523 29.172 1.00 0.00 H +HETATM 1159 H3 UFX A 97 20.073 14.360 28.564 1.00 0.00 H +HETATM 1160 H4 UFX A 97 20.905 15.872 30.358 1.00 0.00 H +HETATM 1161 H5 UFX A 97 19.723 16.690 29.354 1.00 0.00 H +HETATM 1162 H6 UFX A 97 19.359 17.108 31.804 1.00 0.00 H +HETATM 1163 H7 UFX A 97 19.122 15.383 32.060 1.00 0.00 H +HETATM 1164 H8 UFX A 97 17.504 17.049 30.318 1.00 0.00 H +HETATM 1165 C1 UFX A 98 27.842 20.795 15.749 1.00 0.00 C +HETATM 1166 C2 UFX A 98 27.225 19.889 14.666 1.00 0.00 C +HETATM 1167 C3 UFX A 98 25.983 19.146 15.184 1.00 0.00 C +HETATM 1168 O1 UFX A 98 26.350 18.254 16.238 1.00 0.00 O +HETATM 1169 H1 UFX A 98 27.115 21.530 16.096 1.00 0.00 H +HETATM 1170 H2 UFX A 98 28.179 20.207 16.603 1.00 0.00 H +HETATM 1171 H3 UFX A 98 28.700 21.333 15.345 1.00 0.00 H +HETATM 1172 H4 UFX A 98 26.942 20.500 13.809 1.00 0.00 H +HETATM 1173 H5 UFX A 98 27.966 19.166 14.324 1.00 0.00 H +HETATM 1174 H6 UFX A 98 25.528 18.582 14.370 1.00 0.00 H +HETATM 1175 H7 UFX A 98 25.240 19.862 15.537 1.00 0.00 H +HETATM 1176 H8 UFX A 98 26.929 17.533 15.910 1.00 0.00 H +HETATM 1177 C1 UFX A 99 21.387 12.684 25.568 1.00 0.00 C +HETATM 1178 C2 UFX A 99 22.352 13.754 26.098 1.00 0.00 C +HETATM 1179 C3 UFX A 99 23.148 13.295 27.329 1.00 0.00 C +HETATM 1180 O1 UFX A 99 22.285 12.837 28.368 1.00 0.00 O +HETATM 1181 H1 UFX A 99 21.908 11.740 25.407 1.00 0.00 H +HETATM 1182 H2 UFX A 99 20.573 12.521 26.274 1.00 0.00 H +HETATM 1183 H3 UFX A 99 20.949 13.010 24.625 1.00 0.00 H +HETATM 1184 H4 UFX A 99 23.053 14.030 25.310 1.00 0.00 H +HETATM 1185 H5 UFX A 99 21.790 14.654 26.348 1.00 0.00 H +HETATM 1186 H6 UFX A 99 23.743 14.132 27.695 1.00 0.00 H +HETATM 1187 H7 UFX A 99 23.839 12.499 27.054 1.00 0.00 H +HETATM 1188 H8 UFX A 99 22.773 12.725 29.211 1.00 0.00 H +HETATM 1189 C1 UFX A 100 13.603 19.462 14.373 1.00 0.00 C +HETATM 1190 C2 UFX A 100 12.184 19.368 14.961 1.00 0.00 C +HETATM 1191 C3 UFX A 100 11.614 20.748 15.316 1.00 0.00 C +HETATM 1192 O1 UFX A 100 12.367 21.337 16.375 1.00 0.00 O +HETATM 1193 H1 UFX A 100 13.610 20.098 13.487 1.00 0.00 H +HETATM 1194 H2 UFX A 100 14.298 19.875 15.105 1.00 0.00 H +HETATM 1195 H3 UFX A 100 13.959 18.472 14.088 1.00 0.00 H +HETATM 1196 H4 UFX A 100 11.527 18.896 14.230 1.00 0.00 H +HETATM 1197 H5 UFX A 100 12.189 18.733 15.847 1.00 0.00 H +HETATM 1198 H6 UFX A 100 10.572 20.643 15.619 1.00 0.00 H +HETATM 1199 H7 UFX A 100 11.634 21.399 14.441 1.00 0.00 H +HETATM 1200 H8 UFX A 100 12.427 20.742 17.152 1.00 0.00 H +HETATM 1201 C1 UFX A 101 24.205 1.373 21.383 1.00 0.00 C +HETATM 1202 C2 UFX A 101 25.064 0.983 20.174 1.00 0.00 C +HETATM 1203 C3 UFX A 101 26.082 -0.114 20.516 1.00 0.00 C +HETATM 1204 O1 UFX A 101 26.975 0.309 21.547 1.00 0.00 O +HETATM 1205 H1 UFX A 101 23.749 0.491 21.832 1.00 0.00 H +HETATM 1206 H2 UFX A 101 24.813 1.877 22.135 1.00 0.00 H +HETATM 1207 H3 UFX A 101 23.411 2.054 21.074 1.00 0.00 H +HETATM 1208 H4 UFX A 101 24.414 0.623 19.377 1.00 0.00 H +HETATM 1209 H5 UFX A 101 25.577 1.867 19.794 1.00 0.00 H +HETATM 1210 H6 UFX A 101 26.651 -0.371 19.622 1.00 0.00 H +HETATM 1211 H7 UFX A 101 25.552 -1.012 20.835 1.00 0.00 H +HETATM 1212 H8 UFX A 101 27.407 1.161 21.324 1.00 0.00 H +HETATM 1213 C1 UFX A 102 18.212 0.446 18.988 1.00 0.00 C +HETATM 1214 C2 UFX A 102 16.699 0.683 19.134 1.00 0.00 C +HETATM 1215 C3 UFX A 102 16.289 0.856 20.604 1.00 0.00 C +HETATM 1216 O1 UFX A 102 16.483 -0.362 21.320 1.00 0.00 O +HETATM 1217 H1 UFX A 102 18.771 1.280 19.413 1.00 0.00 H +HETATM 1218 H2 UFX A 102 18.509 -0.472 19.496 1.00 0.00 H +HETATM 1219 H3 UFX A 102 18.479 0.355 17.935 1.00 0.00 H +HETATM 1220 H4 UFX A 102 16.425 1.581 18.581 1.00 0.00 H +HETATM 1221 H5 UFX A 102 16.148 -0.150 18.696 1.00 0.00 H +HETATM 1222 H6 UFX A 102 15.239 1.146 20.659 1.00 0.00 H +HETATM 1223 H7 UFX A 102 16.871 1.656 21.061 1.00 0.00 H +HETATM 1224 H8 UFX A 102 15.899 -1.078 20.991 1.00 0.00 H +HETATM 1225 C1 UFX A 103 13.751 6.847 27.379 1.00 0.00 C +HETATM 1226 C2 UFX A 103 12.749 7.331 28.438 1.00 0.00 C +HETATM 1227 C3 UFX A 103 12.591 6.328 29.585 1.00 0.00 C +HETATM 1228 O1 UFX A 103 11.988 5.130 29.092 1.00 0.00 O +HETATM 1229 H1 UFX A 103 14.739 6.723 27.823 1.00 0.00 H +HETATM 1230 H2 UFX A 103 13.439 5.893 26.954 1.00 0.00 H +HETATM 1231 H3 UFX A 103 13.825 7.576 26.572 1.00 0.00 H +HETATM 1232 H4 UFX A 103 13.093 8.282 28.844 1.00 0.00 H +HETATM 1233 H5 UFX A 103 11.778 7.499 27.972 1.00 0.00 H +HETATM 1234 H6 UFX A 103 11.967 6.762 30.366 1.00 0.00 H +HETATM 1235 H7 UFX A 103 13.562 6.111 30.031 1.00 0.00 H +HETATM 1236 H8 UFX A 103 11.130 5.311 28.652 1.00 0.00 H +HETATM 1237 C1 UFX A 104 29.480 6.477 16.274 1.00 0.00 C +HETATM 1238 C2 UFX A 104 29.231 7.810 16.996 1.00 0.00 C +HETATM 1239 C3 UFX A 104 27.995 8.538 16.443 1.00 0.00 C +HETATM 1240 O1 UFX A 104 28.148 8.786 15.046 1.00 0.00 O +HETATM 1241 H1 UFX A 104 28.598 5.839 16.334 1.00 0.00 H +HETATM 1242 H2 UFX A 104 29.710 6.648 15.222 1.00 0.00 H +HETATM 1243 H3 UFX A 104 30.322 5.953 16.728 1.00 0.00 H +HETATM 1244 H4 UFX A 104 29.081 7.619 18.059 1.00 0.00 H +HETATM 1245 H5 UFX A 104 30.108 8.449 16.902 1.00 0.00 H +HETATM 1246 H6 UFX A 104 27.860 9.480 16.973 1.00 0.00 H +HETATM 1247 H7 UFX A 104 27.101 7.938 16.615 1.00 0.00 H +HETATM 1248 H8 UFX A 104 28.998 9.234 14.845 1.00 0.00 H +HETATM 1249 C1 UFX A 105 11.164 3.554 25.837 1.00 0.00 C +HETATM 1250 C2 UFX A 105 9.649 3.794 25.762 1.00 0.00 C +HETATM 1251 C3 UFX A 105 8.956 2.759 24.865 1.00 0.00 C +HETATM 1252 O1 UFX A 105 9.349 2.937 23.510 1.00 0.00 O +HETATM 1253 H1 UFX A 105 11.377 2.578 26.275 1.00 0.00 H +HETATM 1254 H2 UFX A 105 11.610 3.594 24.843 1.00 0.00 H +HETATM 1255 H3 UFX A 105 11.635 4.319 26.455 1.00 0.00 H +HETATM 1256 H4 UFX A 105 9.229 3.741 26.767 1.00 0.00 H +HETATM 1257 H5 UFX A 105 9.453 4.796 25.380 1.00 0.00 H +HETATM 1258 H6 UFX A 105 7.874 2.869 24.944 1.00 0.00 H +HETATM 1259 H7 UFX A 105 9.210 1.751 25.191 1.00 0.00 H +HETATM 1260 H8 UFX A 105 8.972 3.761 23.133 1.00 0.00 H +HETATM 1261 C1 UFX A 106 3.560 20.141 29.661 1.00 0.00 C +HETATM 1262 C2 UFX A 106 3.083 21.286 28.752 1.00 0.00 C +HETATM 1263 C3 UFX A 106 1.653 21.053 28.238 1.00 0.00 C +HETATM 1264 O1 UFX A 106 1.592 19.868 27.448 1.00 0.00 O +HETATM 1265 H1 UFX A 106 2.908 20.045 30.530 1.00 0.00 H +HETATM 1266 H2 UFX A 106 3.558 19.195 29.119 1.00 0.00 H +HETATM 1267 H3 UFX A 106 4.574 20.335 30.008 1.00 0.00 H +HETATM 1268 H4 UFX A 106 3.115 22.222 29.311 1.00 0.00 H +HETATM 1269 H5 UFX A 106 3.766 21.394 27.909 1.00 0.00 H +HETATM 1270 H6 UFX A 106 1.339 21.908 27.639 1.00 0.00 H +HETATM 1271 H7 UFX A 106 0.963 20.971 29.079 1.00 0.00 H +HETATM 1272 H8 UFX A 106 2.276 19.865 26.745 1.00 0.00 H +HETATM 1273 C1 UFX A 107 1.741 29.909 10.264 1.00 0.00 C +HETATM 1274 C2 UFX A 107 0.427 29.749 11.050 1.00 0.00 C +HETATM 1275 C3 UFX A 107 0.494 28.604 12.070 1.00 0.00 C +HETATM 1276 O1 UFX A 107 0.818 27.377 11.423 1.00 0.00 O +HETATM 1277 H1 UFX A 107 2.576 30.079 10.943 1.00 0.00 H +HETATM 1278 H2 UFX A 107 1.947 29.017 9.673 1.00 0.00 H +HETATM 1279 H3 UFX A 107 1.670 30.758 9.583 1.00 0.00 H +HETATM 1280 H4 UFX A 107 0.205 30.680 11.573 1.00 0.00 H +HETATM 1281 H5 UFX A 107 -0.394 29.569 10.356 1.00 0.00 H +HETATM 1282 H6 UFX A 107 -0.467 28.509 12.576 1.00 0.00 H +HETATM 1283 H7 UFX A 107 1.242 28.831 12.831 1.00 0.00 H +HETATM 1284 H8 UFX A 107 0.177 27.161 10.713 1.00 0.00 H +HETATM 1285 C1 UFX A 108 24.121 5.007 16.366 1.00 0.00 C +HETATM 1286 C2 UFX A 108 25.348 5.318 15.492 1.00 0.00 C +HETATM 1287 C3 UFX A 108 25.908 4.055 14.827 1.00 0.00 C +HETATM 1288 O1 UFX A 108 26.439 3.163 15.809 1.00 0.00 O +HETATM 1289 H1 UFX A 108 23.341 4.529 15.773 1.00 0.00 H +HETATM 1290 H2 UFX A 108 24.386 4.342 17.188 1.00 0.00 H +HETATM 1291 H3 UFX A 108 23.718 5.928 16.788 1.00 0.00 H +HETATM 1292 H4 UFX A 108 25.059 6.027 14.716 1.00 0.00 H +HETATM 1293 H5 UFX A 108 26.123 5.794 16.092 1.00 0.00 H +HETATM 1294 H6 UFX A 108 26.691 4.332 14.121 1.00 0.00 H +HETATM 1295 H7 UFX A 108 25.118 3.556 14.266 1.00 0.00 H +HETATM 1296 H8 UFX A 108 25.756 2.912 16.468 1.00 0.00 H +HETATM 1297 C1 UFX A 109 15.570 31.921 23.469 1.00 0.00 C +HETATM 1298 C2 UFX A 109 15.298 30.877 22.371 1.00 0.00 C +HETATM 1299 C3 UFX A 109 15.697 31.392 20.979 1.00 0.00 C +HETATM 1300 O1 UFX A 109 14.895 32.521 20.627 1.00 0.00 O +HETATM 1301 H1 UFX A 109 16.624 32.201 23.479 1.00 0.00 H +HETATM 1302 H2 UFX A 109 14.974 32.819 23.306 1.00 0.00 H +HETATM 1303 H3 UFX A 109 15.315 31.513 24.447 1.00 0.00 H +HETATM 1304 H4 UFX A 109 15.863 29.971 22.592 1.00 0.00 H +HETATM 1305 H5 UFX A 109 14.242 30.605 22.376 1.00 0.00 H +HETATM 1306 H6 UFX A 109 15.559 30.600 20.243 1.00 0.00 H +HETATM 1307 H7 UFX A 109 16.752 31.665 20.970 1.00 0.00 H +HETATM 1308 H8 UFX A 109 13.938 32.308 20.653 1.00 0.00 H +HETATM 1309 C1 UFX A 110 33.266 10.842 14.787 1.00 0.00 C +HETATM 1310 C2 UFX A 110 32.619 10.658 13.403 1.00 0.00 C +HETATM 1311 C3 UFX A 110 31.085 10.672 13.481 1.00 0.00 C +HETATM 1312 O1 UFX A 110 30.624 9.569 14.259 1.00 0.00 O +HETATM 1313 H1 UFX A 110 32.969 11.796 15.223 1.00 0.00 H +HETATM 1314 H2 UFX A 110 32.971 10.040 15.463 1.00 0.00 H +HETATM 1315 H3 UFX A 110 34.352 10.831 14.697 1.00 0.00 H +HETATM 1316 H4 UFX A 110 32.949 11.463 12.746 1.00 0.00 H +HETATM 1317 H5 UFX A 110 32.957 9.721 12.961 1.00 0.00 H +HETATM 1318 H6 UFX A 110 30.669 10.609 12.475 1.00 0.00 H +HETATM 1319 H7 UFX A 110 30.742 11.610 13.919 1.00 0.00 H +HETATM 1320 H8 UFX A 110 30.959 8.715 13.911 1.00 0.00 H +HETATM 1321 C1 UFX A 111 29.836 13.156 23.136 1.00 0.00 C +HETATM 1322 C2 UFX A 111 29.744 14.421 24.000 1.00 0.00 C +HETATM 1323 C3 UFX A 111 29.865 15.697 23.159 1.00 0.00 C +HETATM 1324 O1 UFX A 111 31.119 15.712 22.475 1.00 0.00 O +HETATM 1325 H1 UFX A 111 29.063 13.167 22.367 1.00 0.00 H +HETATM 1326 H2 UFX A 111 30.811 13.081 22.654 1.00 0.00 H +HETATM 1327 H3 UFX A 111 29.691 12.270 23.754 1.00 0.00 H +HETATM 1328 H4 UFX A 111 28.780 14.428 24.509 1.00 0.00 H +HETATM 1329 H5 UFX A 111 30.521 14.404 24.765 1.00 0.00 H +HETATM 1330 H6 UFX A 111 29.780 16.572 23.803 1.00 0.00 H +HETATM 1331 H7 UFX A 111 29.048 15.742 22.439 1.00 0.00 H +HETATM 1332 H8 UFX A 111 31.873 15.683 23.103 1.00 0.00 H +HETATM 1333 C1 UFX A 112 19.951 7.022 5.203 1.00 0.00 C +HETATM 1334 C2 UFX A 112 19.264 8.110 6.048 1.00 0.00 C +HETATM 1335 C3 UFX A 112 20.280 9.096 6.658 1.00 0.00 C +HETATM 1336 O1 UFX A 112 21.166 8.434 7.559 1.00 0.00 O +HETATM 1337 H1 UFX A 112 20.518 7.474 4.389 1.00 0.00 H +HETATM 1338 H2 UFX A 112 20.626 6.423 5.815 1.00 0.00 H +HETATM 1339 H3 UFX A 112 19.205 6.360 4.762 1.00 0.00 H +HETATM 1340 H4 UFX A 112 18.570 8.667 5.418 1.00 0.00 H +HETATM 1341 H5 UFX A 112 18.672 7.644 6.836 1.00 0.00 H +HETATM 1342 H6 UFX A 112 19.749 9.889 7.183 1.00 0.00 H +HETATM 1343 H7 UFX A 112 20.855 9.563 5.858 1.00 0.00 H +HETATM 1344 H8 UFX A 112 20.727 8.211 8.408 1.00 0.00 H +HETATM 1345 C1 UFX A 113 18.113 25.067 28.381 1.00 0.00 C +HETATM 1346 C2 UFX A 113 19.271 24.704 29.327 1.00 0.00 C +HETATM 1347 C3 UFX A 113 18.887 24.907 30.801 1.00 0.00 C +HETATM 1348 O1 UFX A 113 18.620 26.285 31.054 1.00 0.00 O +HETATM 1349 H1 UFX A 113 17.236 24.457 28.599 1.00 0.00 H +HETATM 1350 H2 UFX A 113 17.836 26.115 28.491 1.00 0.00 H +HETATM 1351 H3 UFX A 113 18.405 24.898 27.344 1.00 0.00 H +HETATM 1352 H4 UFX A 113 19.548 23.661 29.172 1.00 0.00 H +HETATM 1353 H5 UFX A 113 20.147 25.308 29.089 1.00 0.00 H +HETATM 1354 H6 UFX A 113 19.701 24.570 31.442 1.00 0.00 H +HETATM 1355 H7 UFX A 113 18.009 24.309 31.044 1.00 0.00 H +HETATM 1356 H8 UFX A 113 19.396 26.850 30.848 1.00 0.00 H +HETATM 1357 C1 UFX A 114 28.780 7.429 21.506 1.00 0.00 C +HETATM 1358 C2 UFX A 114 27.598 8.363 21.806 1.00 0.00 C +HETATM 1359 C3 UFX A 114 26.460 8.157 20.801 1.00 0.00 C +HETATM 1360 O1 UFX A 114 26.853 8.603 19.504 1.00 0.00 O +HETATM 1361 H1 UFX A 114 28.452 6.390 21.501 1.00 0.00 H +HETATM 1362 H2 UFX A 114 29.214 7.662 20.533 1.00 0.00 H +HETATM 1363 H3 UFX A 114 29.553 7.539 22.267 1.00 0.00 H +HETATM 1364 H4 UFX A 114 27.224 8.153 22.808 1.00 0.00 H +HETATM 1365 H5 UFX A 114 27.929 9.402 21.791 1.00 0.00 H +HETATM 1366 H6 UFX A 114 25.577 8.708 21.128 1.00 0.00 H +HETATM 1367 H7 UFX A 114 26.187 7.103 20.764 1.00 0.00 H +HETATM 1368 H8 UFX A 114 26.856 9.582 19.438 1.00 0.00 H +HETATM 1369 C1 UFX A 115 18.916 28.350 21.246 1.00 0.00 C +HETATM 1370 C2 UFX A 115 19.724 28.922 22.422 1.00 0.00 C +HETATM 1371 C3 UFX A 115 19.288 30.350 22.775 1.00 0.00 C +HETATM 1372 O1 UFX A 115 19.569 31.229 21.688 1.00 0.00 O +HETATM 1373 H1 UFX A 115 17.852 28.344 21.482 1.00 0.00 H +HETATM 1374 H2 UFX A 115 19.070 28.947 20.347 1.00 0.00 H +HETATM 1375 H3 UFX A 115 19.229 27.328 21.034 1.00 0.00 H +HETATM 1376 H4 UFX A 115 19.587 28.279 23.292 1.00 0.00 H +HETATM 1377 H5 UFX A 115 20.786 28.916 22.177 1.00 0.00 H +HETATM 1378 H6 UFX A 115 19.826 30.690 23.659 1.00 0.00 H +HETATM 1379 H7 UFX A 115 18.223 30.367 23.008 1.00 0.00 H +HETATM 1380 H8 UFX A 115 19.282 32.147 21.881 1.00 0.00 H +HETATM 1381 C1 UFX A 116 4.311 12.063 30.041 1.00 0.00 C +HETATM 1382 C2 UFX A 116 3.902 12.123 28.561 1.00 0.00 C +HETATM 1383 C3 UFX A 116 2.375 12.083 28.385 1.00 0.00 C +HETATM 1384 O1 UFX A 116 1.845 10.878 28.932 1.00 0.00 O +HETATM 1385 H1 UFX A 116 3.917 12.924 30.580 1.00 0.00 H +HETATM 1386 H2 UFX A 116 3.932 11.154 30.510 1.00 0.00 H +HETATM 1387 H3 UFX A 116 5.397 12.064 30.129 1.00 0.00 H +HETATM 1388 H4 UFX A 116 4.292 13.040 28.120 1.00 0.00 H +HETATM 1389 H5 UFX A 116 4.355 11.292 28.020 1.00 0.00 H +HETATM 1390 H6 UFX A 116 2.131 12.141 27.324 1.00 0.00 H +HETATM 1391 H7 UFX A 116 1.920 12.941 28.879 1.00 0.00 H +HETATM 1392 H8 UFX A 116 2.355 10.093 28.641 1.00 0.00 H +HETATM 1393 C1 UFX A 117 26.838 13.467 1.552 1.00 0.00 C +HETATM 1394 C2 UFX A 117 26.804 12.280 2.527 1.00 0.00 C +HETATM 1395 C3 UFX A 117 27.633 12.542 3.792 1.00 0.00 C +HETATM 1396 O1 UFX A 117 29.003 12.748 3.451 1.00 0.00 O +HETATM 1397 H1 UFX A 117 26.455 14.368 2.033 1.00 0.00 H +HETATM 1398 H2 UFX A 117 27.855 13.658 1.210 1.00 0.00 H +HETATM 1399 H3 UFX A 117 26.218 13.254 0.681 1.00 0.00 H +HETATM 1400 H4 UFX A 117 25.772 12.084 2.818 1.00 0.00 H +HETATM 1401 H5 UFX A 117 27.172 11.384 2.026 1.00 0.00 H +HETATM 1402 H6 UFX A 117 27.546 11.689 4.463 1.00 0.00 H +HETATM 1403 H7 UFX A 117 27.247 13.414 4.320 1.00 0.00 H +HETATM 1404 H8 UFX A 117 29.368 12.001 2.930 1.00 0.00 H +HETATM 1405 C1 UFX A 118 31.172 1.483 22.388 1.00 0.00 C +HETATM 1406 C2 UFX A 118 31.662 2.762 23.090 1.00 0.00 C +HETATM 1407 C3 UFX A 118 30.558 3.826 23.176 1.00 0.00 C +HETATM 1408 O1 UFX A 118 30.179 4.246 21.870 1.00 0.00 O +HETATM 1409 H1 UFX A 118 30.297 1.078 22.896 1.00 0.00 H +HETATM 1410 H2 UFX A 118 30.910 1.690 21.350 1.00 0.00 H +HETATM 1411 H3 UFX A 118 31.957 0.726 22.396 1.00 0.00 H +HETATM 1412 H4 UFX A 118 31.995 2.509 24.097 1.00 0.00 H +HETATM 1413 H5 UFX A 118 32.524 3.167 22.560 1.00 0.00 H +HETATM 1414 H6 UFX A 118 30.916 4.684 23.746 1.00 0.00 H +HETATM 1415 H7 UFX A 118 29.691 3.420 23.697 1.00 0.00 H +HETATM 1416 H8 UFX A 118 30.928 4.661 21.391 1.00 0.00 H +HETATM 1417 C1 UFX A 119 26.032 17.298 30.975 1.00 0.00 C +HETATM 1418 C2 UFX A 119 24.576 17.699 31.268 1.00 0.00 C +HETATM 1419 C3 UFX A 119 23.687 16.474 31.527 1.00 0.00 C +HETATM 1420 O1 UFX A 119 23.656 15.628 30.377 1.00 0.00 O +HETATM 1421 H1 UFX A 119 26.453 16.739 31.811 1.00 0.00 H +HETATM 1422 H2 UFX A 119 26.091 16.678 30.080 1.00 0.00 H +HETATM 1423 H3 UFX A 119 26.641 18.187 30.812 1.00 0.00 H +HETATM 1424 H4 UFX A 119 24.554 18.347 32.145 1.00 0.00 H +HETATM 1425 H5 UFX A 119 24.176 18.275 30.433 1.00 0.00 H +HETATM 1426 H6 UFX A 119 22.676 16.801 31.771 1.00 0.00 H +HETATM 1427 H7 UFX A 119 24.064 15.918 32.385 1.00 0.00 H +HETATM 1428 H8 UFX A 119 23.329 16.101 29.582 1.00 0.00 H +HETATM 1429 C1 UFX A 120 26.741 4.166 3.073 1.00 0.00 C +HETATM 1430 C2 UFX A 120 25.442 3.511 3.572 1.00 0.00 C +HETATM 1431 C3 UFX A 120 24.196 4.288 3.114 1.00 0.00 C +HETATM 1432 O1 UFX A 120 24.219 5.616 3.629 1.00 0.00 O +HETATM 1433 H1 UFX A 120 26.739 4.237 1.985 1.00 0.00 H +HETATM 1434 H2 UFX A 120 26.849 5.169 3.485 1.00 0.00 H +HETATM 1435 H3 UFX A 120 27.604 3.574 3.379 1.00 0.00 H +HETATM 1436 H4 UFX A 120 25.385 2.492 3.190 1.00 0.00 H +HETATM 1437 H5 UFX A 120 25.456 3.447 4.660 1.00 0.00 H +HETATM 1438 H6 UFX A 120 23.299 3.776 3.463 1.00 0.00 H +HETATM 1439 H7 UFX A 120 24.158 4.316 2.025 1.00 0.00 H +HETATM 1440 H8 UFX A 120 24.283 5.625 4.608 1.00 0.00 H +HETATM 1441 C1 UFX A 121 23.076 16.062 13.805 1.00 0.00 C +HETATM 1442 C2 UFX A 121 23.261 16.171 15.327 1.00 0.00 C +HETATM 1443 C3 UFX A 121 24.106 15.020 15.886 1.00 0.00 C +HETATM 1444 O1 UFX A 121 23.432 13.778 15.695 1.00 0.00 O +HETATM 1445 H1 UFX A 121 24.042 16.050 13.301 1.00 0.00 H +HETATM 1446 H2 UFX A 121 22.532 15.152 13.548 1.00 0.00 H +HETATM 1447 H3 UFX A 121 22.508 16.915 13.434 1.00 0.00 H +HETATM 1448 H4 UFX A 121 23.749 17.118 15.560 1.00 0.00 H +HETATM 1449 H5 UFX A 121 22.288 16.182 15.818 1.00 0.00 H +HETATM 1450 H6 UFX A 121 24.275 15.180 16.951 1.00 0.00 H +HETATM 1451 H7 UFX A 121 25.080 14.997 15.397 1.00 0.00 H +HETATM 1452 H8 UFX A 121 22.558 13.773 16.140 1.00 0.00 H +HETATM 1453 C1 UFX A 122 17.137 10.483 20.934 1.00 0.00 C +HETATM 1454 C2 UFX A 122 18.581 10.499 20.402 1.00 0.00 C +HETATM 1455 C3 UFX A 122 18.645 10.175 18.902 1.00 0.00 C +HETATM 1456 O1 UFX A 122 18.175 8.851 18.655 1.00 0.00 O +HETATM 1457 H1 UFX A 122 16.516 11.186 20.378 1.00 0.00 H +HETATM 1458 H2 UFX A 122 16.706 9.486 20.842 1.00 0.00 H +HETATM 1459 H3 UFX A 122 17.120 10.764 21.987 1.00 0.00 H +HETATM 1460 H4 UFX A 122 19.011 11.487 20.570 1.00 0.00 H +HETATM 1461 H5 UFX A 122 19.187 9.785 20.960 1.00 0.00 H +HETATM 1462 H6 UFX A 122 19.674 10.262 18.552 1.00 0.00 H +HETATM 1463 H7 UFX A 122 18.045 10.892 18.342 1.00 0.00 H +HETATM 1464 H8 UFX A 122 18.735 8.175 19.093 1.00 0.00 H +HETATM 1465 C1 UFX A 123 25.648 0.664 12.651 1.00 0.00 C +HETATM 1466 C2 UFX A 123 25.939 1.539 11.418 1.00 0.00 C +HETATM 1467 C3 UFX A 123 24.859 2.608 11.198 1.00 0.00 C +HETATM 1468 O1 UFX A 123 23.578 2.002 11.024 1.00 0.00 O +HETATM 1469 H1 UFX A 123 25.575 1.278 13.549 1.00 0.00 H +HETATM 1470 H2 UFX A 123 24.713 0.118 12.526 1.00 0.00 H +HETATM 1471 H3 UFX A 123 26.449 -0.060 12.796 1.00 0.00 H +HETATM 1472 H4 UFX A 123 26.902 2.034 11.549 1.00 0.00 H +HETATM 1473 H5 UFX A 123 26.020 0.907 10.533 1.00 0.00 H +HETATM 1474 H6 UFX A 123 25.105 3.200 10.316 1.00 0.00 H +HETATM 1475 H7 UFX A 123 24.836 3.291 12.047 1.00 0.00 H +HETATM 1476 H8 UFX A 123 23.540 1.482 10.193 1.00 0.00 H +HETATM 1477 C1 UFX A 124 26.428 18.589 22.982 1.00 0.00 C +HETATM 1478 C2 UFX A 124 25.240 17.712 23.414 1.00 0.00 C +HETATM 1479 C3 UFX A 124 25.696 16.460 24.181 1.00 0.00 C +HETATM 1480 O1 UFX A 124 26.481 15.620 23.336 1.00 0.00 O +HETATM 1481 H1 UFX A 124 27.000 18.913 23.851 1.00 0.00 H +HETATM 1482 H2 UFX A 124 27.090 18.043 22.310 1.00 0.00 H +HETATM 1483 H3 UFX A 124 26.065 19.478 22.464 1.00 0.00 H +HETATM 1484 H4 UFX A 124 24.580 18.299 24.053 1.00 0.00 H +HETATM 1485 H5 UFX A 124 24.660 17.417 22.540 1.00 0.00 H +HETATM 1486 H6 UFX A 124 24.823 15.910 24.534 1.00 0.00 H +HETATM 1487 H7 UFX A 124 26.277 16.749 25.057 1.00 0.00 H +HETATM 1488 H8 UFX A 124 25.993 15.357 22.527 1.00 0.00 H +HETATM 1489 C1 UFX A 125 18.414 6.853 21.540 1.00 0.00 C +HETATM 1490 C2 UFX A 125 18.605 5.470 22.179 1.00 0.00 C +HETATM 1491 C3 UFX A 125 18.446 4.331 21.161 1.00 0.00 C +HETATM 1492 O1 UFX A 125 17.150 4.366 20.571 1.00 0.00 O +HETATM 1493 H1 UFX A 125 19.123 6.995 20.723 1.00 0.00 H +HETATM 1494 H2 UFX A 125 17.400 6.960 21.154 1.00 0.00 H +HETATM 1495 H3 UFX A 125 18.578 7.634 22.283 1.00 0.00 H +HETATM 1496 H4 UFX A 125 19.601 5.415 22.617 1.00 0.00 H +HETATM 1497 H5 UFX A 125 17.886 5.342 22.989 1.00 0.00 H +HETATM 1498 H6 UFX A 125 18.592 3.373 21.661 1.00 0.00 H +HETATM 1499 H7 UFX A 125 19.208 4.415 20.386 1.00 0.00 H +HETATM 1500 H8 UFX A 125 16.442 4.264 21.242 1.00 0.00 H +HETATM 1501 C1 UFX A 126 12.103 6.468 23.859 1.00 0.00 C +HETATM 1502 C2 UFX A 126 12.821 7.715 23.313 1.00 0.00 C +HETATM 1503 C3 UFX A 126 14.129 7.363 22.588 1.00 0.00 C +HETATM 1504 O1 UFX A 126 15.033 6.703 23.474 1.00 0.00 O +HETATM 1505 H1 UFX A 126 11.860 5.778 23.051 1.00 0.00 H +HETATM 1506 H2 UFX A 126 12.730 5.947 24.583 1.00 0.00 H +HETATM 1507 H3 UFX A 126 11.175 6.754 24.354 1.00 0.00 H +HETATM 1508 H4 UFX A 126 12.158 8.229 22.618 1.00 0.00 H +HETATM 1509 H5 UFX A 126 13.032 8.405 24.130 1.00 0.00 H +HETATM 1510 H6 UFX A 126 14.590 8.274 22.207 1.00 0.00 H +HETATM 1511 H7 UFX A 126 13.916 6.722 21.732 1.00 0.00 H +HETATM 1512 H8 UFX A 126 15.209 7.230 24.282 1.00 0.00 H +HETATM 1513 C1 UFX A 127 3.400 5.745 28.659 1.00 0.00 C +HETATM 1514 C2 UFX A 127 3.843 6.721 29.762 1.00 0.00 C +HETATM 1515 C3 UFX A 127 3.142 8.081 29.635 1.00 0.00 C +HETATM 1516 O1 UFX A 127 3.511 8.720 28.409 1.00 0.00 O +HETATM 1517 H1 UFX A 127 2.329 5.553 28.728 1.00 0.00 H +HETATM 1518 H2 UFX A 127 3.615 6.155 27.672 1.00 0.00 H +HETATM 1519 H3 UFX A 127 3.928 4.797 28.761 1.00 0.00 H +HETATM 1520 H4 UFX A 127 3.610 6.287 30.734 1.00 0.00 H +HETATM 1521 H5 UFX A 127 4.924 6.860 29.723 1.00 0.00 H +HETATM 1522 H6 UFX A 127 3.422 8.716 30.476 1.00 0.00 H +HETATM 1523 H7 UFX A 127 2.060 7.948 29.676 1.00 0.00 H +HETATM 1524 H8 UFX A 127 4.479 8.867 28.358 1.00 0.00 H +HETATM 1525 C1 UFX A 128 11.275 10.040 18.978 1.00 0.00 C +HETATM 1526 C2 UFX A 128 12.089 11.276 18.564 1.00 0.00 C +HETATM 1527 C3 UFX A 128 11.531 11.945 17.298 1.00 0.00 C +HETATM 1528 O1 UFX A 128 11.596 11.047 16.198 1.00 0.00 O +HETATM 1529 H1 UFX A 128 10.240 10.318 19.177 1.00 0.00 H +HETATM 1530 H2 UFX A 128 11.293 9.286 18.191 1.00 0.00 H +HETATM 1531 H3 UFX A 128 11.695 9.599 19.882 1.00 0.00 H +HETATM 1532 H4 UFX A 128 12.080 12.000 19.378 1.00 0.00 H +HETATM 1533 H5 UFX A 128 13.128 10.987 18.402 1.00 0.00 H +HETATM 1534 H6 UFX A 128 12.112 12.839 17.070 1.00 0.00 H +HETATM 1535 H7 UFX A 128 10.499 12.256 17.464 1.00 0.00 H +HETATM 1536 H8 UFX A 128 12.501 10.686 16.078 1.00 0.00 H +HETATM 1537 C1 UFX A 129 6.459 5.430 26.408 1.00 0.00 C +HETATM 1538 C2 UFX A 129 6.689 6.917 26.723 1.00 0.00 C +HETATM 1539 C3 UFX A 129 8.184 7.253 26.828 1.00 0.00 C +HETATM 1540 O1 UFX A 129 8.776 6.544 27.915 1.00 0.00 O +HETATM 1541 H1 UFX A 129 6.951 5.159 25.474 1.00 0.00 H +HETATM 1542 H2 UFX A 129 6.849 4.800 27.207 1.00 0.00 H +HETATM 1543 H3 UFX A 129 5.393 5.227 26.301 1.00 0.00 H +HETATM 1544 H4 UFX A 129 6.242 7.523 25.935 1.00 0.00 H +HETATM 1545 H5 UFX A 129 6.190 7.179 27.656 1.00 0.00 H +HETATM 1546 H6 UFX A 129 8.302 8.325 26.985 1.00 0.00 H +HETATM 1547 H7 UFX A 129 8.690 7.001 25.896 1.00 0.00 H +HETATM 1548 H8 UFX A 129 8.351 6.775 28.768 1.00 0.00 H +HETATM 1549 C1 UFX A 130 27.802 20.884 7.434 1.00 0.00 C +HETATM 1550 C2 UFX A 130 26.280 21.091 7.350 1.00 0.00 C +HETATM 1551 C3 UFX A 130 25.915 22.583 7.315 1.00 0.00 C +HETATM 1552 O1 UFX A 130 26.302 23.221 8.531 1.00 0.00 O +HETATM 1553 H1 UFX A 130 28.299 21.364 6.590 1.00 0.00 H +HETATM 1554 H2 UFX A 130 28.198 21.308 8.356 1.00 0.00 H +HETATM 1555 H3 UFX A 130 28.041 19.820 7.412 1.00 0.00 H +HETATM 1556 H4 UFX A 130 25.906 20.617 6.442 1.00 0.00 H +HETATM 1557 H5 UFX A 130 25.790 20.610 8.196 1.00 0.00 H +HETATM 1558 H6 UFX A 130 24.841 22.697 7.169 1.00 0.00 H +HETATM 1559 H7 UFX A 130 26.414 23.061 6.472 1.00 0.00 H +HETATM 1560 H8 UFX A 130 25.819 22.862 9.305 1.00 0.00 H +HETATM 1561 C1 UFX A 131 9.887 19.308 25.433 1.00 0.00 C +HETATM 1562 C2 UFX A 131 9.650 20.816 25.592 1.00 0.00 C +HETATM 1563 C3 UFX A 131 8.358 21.267 24.900 1.00 0.00 C +HETATM 1564 O1 UFX A 131 8.452 21.055 23.491 1.00 0.00 O +HETATM 1565 H1 UFX A 131 9.057 18.748 25.865 1.00 0.00 H +HETATM 1566 H2 UFX A 131 9.980 19.038 24.381 1.00 0.00 H +HETATM 1567 H3 UFX A 131 10.804 19.013 25.944 1.00 0.00 H +HETATM 1568 H4 UFX A 131 9.593 21.060 26.653 1.00 0.00 H +HETATM 1569 H5 UFX A 131 10.498 21.370 25.189 1.00 0.00 H +HETATM 1570 H6 UFX A 131 8.189 22.325 25.100 1.00 0.00 H +HETATM 1571 H7 UFX A 131 7.507 20.718 25.302 1.00 0.00 H +HETATM 1572 H8 UFX A 131 9.118 21.650 23.085 1.00 0.00 H +HETATM 1573 C1 UFX A 132 15.237 5.909 17.353 1.00 0.00 C +HETATM 1574 C2 UFX A 132 15.464 6.603 18.704 1.00 0.00 C +HETATM 1575 C3 UFX A 132 14.870 8.018 18.717 1.00 0.00 C +HETATM 1576 O1 UFX A 132 15.628 8.863 17.854 1.00 0.00 O +HETATM 1577 H1 UFX A 132 14.172 5.857 17.126 1.00 0.00 H +HETATM 1578 H2 UFX A 132 15.735 6.454 16.552 1.00 0.00 H +HETATM 1579 H3 UFX A 132 15.631 4.893 17.383 1.00 0.00 H +HETATM 1580 H4 UFX A 132 15.007 6.010 19.496 1.00 0.00 H +HETATM 1581 H5 UFX A 132 16.531 6.646 18.923 1.00 0.00 H +HETATM 1582 H6 UFX A 132 14.897 8.416 19.731 1.00 0.00 H +HETATM 1583 H7 UFX A 132 13.826 7.994 18.402 1.00 0.00 H +HETATM 1584 H8 UFX A 132 16.577 8.870 18.103 1.00 0.00 H +HETATM 1585 C1 UFX A 133 7.255 14.257 31.585 1.00 0.00 C +HETATM 1586 C2 UFX A 133 7.704 14.043 30.128 1.00 0.00 C +HETATM 1587 C3 UFX A 133 8.466 12.722 29.960 1.00 0.00 C +HETATM 1588 O1 UFX A 133 9.688 12.760 30.697 1.00 0.00 O +HETATM 1589 H1 UFX A 133 6.593 13.450 31.901 1.00 0.00 H +HETATM 1590 H2 UFX A 133 8.114 14.287 32.254 1.00 0.00 H +HETATM 1591 H3 UFX A 133 6.713 15.198 31.682 1.00 0.00 H +HETATM 1592 H4 UFX A 133 6.827 14.033 29.480 1.00 0.00 H +HETATM 1593 H5 UFX A 133 8.332 14.874 29.806 1.00 0.00 H +HETATM 1594 H6 UFX A 133 8.681 12.560 28.903 1.00 0.00 H +HETATM 1595 H7 UFX A 133 7.853 11.887 30.299 1.00 0.00 H +HETATM 1596 H8 UFX A 133 10.233 13.541 30.460 1.00 0.00 H +HETATM 1597 C1 UFX A 134 6.748 3.534 17.392 1.00 0.00 C +HETATM 1598 C2 UFX A 134 7.638 4.704 16.939 1.00 0.00 C +HETATM 1599 C3 UFX A 134 7.657 4.852 15.411 1.00 0.00 C +HETATM 1600 O1 UFX A 134 8.185 3.674 14.807 1.00 0.00 O +HETATM 1601 H1 UFX A 134 5.729 3.669 17.030 1.00 0.00 H +HETATM 1602 H2 UFX A 134 7.132 2.588 17.009 1.00 0.00 H +HETATM 1603 H3 UFX A 134 6.725 3.479 18.481 1.00 0.00 H +HETATM 1604 H4 UFX A 134 7.264 5.626 17.385 1.00 0.00 H +HETATM 1605 H5 UFX A 134 8.656 4.555 17.300 1.00 0.00 H +HETATM 1606 H6 UFX A 134 8.266 5.712 15.132 1.00 0.00 H +HETATM 1607 H7 UFX A 134 6.647 5.038 15.045 1.00 0.00 H +HETATM 1608 H8 UFX A 134 9.059 3.430 15.179 1.00 0.00 H +HETATM 1609 C1 UFX A 135 15.501 12.375 16.879 1.00 0.00 C +HETATM 1610 C2 UFX A 135 15.904 11.505 15.679 1.00 0.00 C +HETATM 1611 C3 UFX A 135 14.711 10.762 15.053 1.00 0.00 C +HETATM 1612 O1 UFX A 135 14.053 9.962 16.034 1.00 0.00 O +HETATM 1613 H1 UFX A 135 14.689 13.052 16.614 1.00 0.00 H +HETATM 1614 H2 UFX A 135 15.182 11.752 17.715 1.00 0.00 H +HETATM 1615 H3 UFX A 135 16.354 12.969 17.207 1.00 0.00 H +HETATM 1616 H4 UFX A 135 16.367 12.134 14.919 1.00 0.00 H +HETATM 1617 H5 UFX A 135 16.656 10.783 15.997 1.00 0.00 H +HETATM 1618 H6 UFX A 135 15.066 10.129 14.240 1.00 0.00 H +HETATM 1619 H7 UFX A 135 14.008 11.475 14.622 1.00 0.00 H +HETATM 1620 H8 UFX A 135 14.690 9.544 16.652 1.00 0.00 H +HETATM 1621 C1 UFX A 136 7.721 11.043 15.861 1.00 0.00 C +HETATM 1622 C2 UFX A 136 8.157 9.969 16.865 1.00 0.00 C +HETATM 1623 C3 UFX A 136 7.613 8.584 16.502 1.00 0.00 C +HETATM 1624 O1 UFX A 136 6.188 8.595 16.513 1.00 0.00 O +HETATM 1625 H1 UFX A 136 8.084 10.801 14.862 1.00 0.00 H +HETATM 1626 H2 UFX A 136 6.634 11.127 15.829 1.00 0.00 H +HETATM 1627 H3 UFX A 136 8.133 12.010 16.150 1.00 0.00 H +HETATM 1628 H4 UFX A 136 9.246 9.925 16.884 1.00 0.00 H +HETATM 1629 H5 UFX A 136 7.825 10.246 17.865 1.00 0.00 H +HETATM 1630 H6 UFX A 136 7.978 7.855 17.226 1.00 0.00 H +HETATM 1631 H7 UFX A 136 7.978 8.286 15.519 1.00 0.00 H +HETATM 1632 H8 UFX A 136 5.841 8.932 17.367 1.00 0.00 H +HETATM 1633 C1 UFX A 137 10.300 5.962 -0.112 1.00 0.00 C +HETATM 1634 C2 UFX A 137 9.803 7.413 0.014 1.00 0.00 C +HETATM 1635 C3 UFX A 137 8.601 7.530 0.965 1.00 0.00 C +HETATM 1636 O1 UFX A 137 7.514 6.733 0.502 1.00 0.00 O +HETATM 1637 H1 UFX A 137 10.595 5.574 0.863 1.00 0.00 H +HETATM 1638 H2 UFX A 137 9.517 5.320 -0.517 1.00 0.00 H +HETATM 1639 H3 UFX A 137 11.161 5.914 -0.779 1.00 0.00 H +HETATM 1640 H4 UFX A 137 10.614 8.038 0.388 1.00 0.00 H +HETATM 1641 H5 UFX A 137 9.525 7.796 -0.968 1.00 0.00 H +HETATM 1642 H6 UFX A 137 8.289 8.573 1.028 1.00 0.00 H +HETATM 1643 H7 UFX A 137 8.889 7.210 1.966 1.00 0.00 H +HETATM 1644 H8 UFX A 137 7.206 7.009 -0.388 1.00 0.00 H +HETATM 1645 C1 UFX A 138 -0.803 6.811 15.040 1.00 0.00 C +HETATM 1646 C2 UFX A 138 0.508 6.465 14.311 1.00 0.00 C +HETATM 1647 C3 UFX A 138 1.491 7.647 14.322 1.00 0.00 C +HETATM 1648 O1 UFX A 138 0.933 8.756 13.619 1.00 0.00 O +HETATM 1649 H1 UFX A 138 -0.599 7.122 16.064 1.00 0.00 H +HETATM 1650 H2 UFX A 138 -1.326 7.620 14.529 1.00 0.00 H +HETATM 1651 H3 UFX A 138 -1.460 5.941 15.070 1.00 0.00 H +HETATM 1652 H4 UFX A 138 0.977 5.612 14.801 1.00 0.00 H +HETATM 1653 H5 UFX A 138 0.297 6.170 13.283 1.00 0.00 H +HETATM 1654 H6 UFX A 138 2.431 7.352 13.856 1.00 0.00 H +HETATM 1655 H7 UFX A 138 1.713 7.933 15.350 1.00 0.00 H +HETATM 1656 H8 UFX A 138 0.789 8.551 12.670 1.00 0.00 H +HETATM 1657 C1 UFX A 139 17.743 17.440 0.474 1.00 0.00 C +HETATM 1658 C2 UFX A 139 16.491 17.438 1.370 1.00 0.00 C +HETATM 1659 C3 UFX A 139 16.765 16.778 2.730 1.00 0.00 C +HETATM 1660 O1 UFX A 139 17.133 15.414 2.551 1.00 0.00 O +HETATM 1661 H1 UFX A 139 18.567 17.951 0.971 1.00 0.00 H +HETATM 1662 H2 UFX A 139 18.052 16.421 0.242 1.00 0.00 H +HETATM 1663 H3 UFX A 139 17.533 17.955 -0.464 1.00 0.00 H +HETATM 1664 H4 UFX A 139 16.170 18.467 1.533 1.00 0.00 H +HETATM 1665 H5 UFX A 139 15.675 16.920 0.866 1.00 0.00 H +HETATM 1666 H6 UFX A 139 15.876 16.840 3.357 1.00 0.00 H +HETATM 1667 H7 UFX A 139 17.568 17.309 3.243 1.00 0.00 H +HETATM 1668 H8 UFX A 139 16.420 14.891 2.127 1.00 0.00 H +HETATM 1669 C1 UFX A 140 23.681 -0.493 16.357 1.00 0.00 C +HETATM 1670 C2 UFX A 140 22.235 -0.030 16.113 1.00 0.00 C +HETATM 1671 C3 UFX A 140 21.922 1.284 16.845 1.00 0.00 C +HETATM 1672 O1 UFX A 140 21.947 1.088 18.257 1.00 0.00 O +HETATM 1673 H1 UFX A 140 24.386 0.269 16.023 1.00 0.00 H +HETATM 1674 H2 UFX A 140 23.850 -0.686 17.416 1.00 0.00 H +HETATM 1675 H3 UFX A 140 23.880 -1.410 15.803 1.00 0.00 H +HETATM 1676 H4 UFX A 140 22.087 0.118 15.043 1.00 0.00 H +HETATM 1677 H5 UFX A 140 21.536 -0.804 16.430 1.00 0.00 H +HETATM 1678 H6 UFX A 140 20.934 1.637 16.546 1.00 0.00 H +HETATM 1679 H7 UFX A 140 22.644 2.050 16.562 1.00 0.00 H +HETATM 1680 H8 UFX A 140 21.297 0.410 18.542 1.00 0.00 H +HETATM 1681 C1 UFX A 141 5.899 26.303 17.419 1.00 0.00 C +HETATM 1682 C2 UFX A 141 7.084 25.826 18.268 1.00 0.00 C +HETATM 1683 C3 UFX A 141 7.000 26.338 19.710 1.00 0.00 C +HETATM 1684 O1 UFX A 141 7.198 27.751 19.761 1.00 0.00 O +HETATM 1685 H1 UFX A 141 4.956 26.006 17.879 1.00 0.00 H +HETATM 1686 H2 UFX A 141 5.913 27.389 17.318 1.00 0.00 H +HETATM 1687 H3 UFX A 141 5.949 25.860 16.425 1.00 0.00 H +HETATM 1688 H4 UFX A 141 7.084 24.736 18.282 1.00 0.00 H +HETATM 1689 H5 UFX A 141 8.024 26.142 17.815 1.00 0.00 H +HETATM 1690 H6 UFX A 141 7.760 25.837 20.309 1.00 0.00 H +HETATM 1691 H7 UFX A 141 6.030 26.085 20.139 1.00 0.00 H +HETATM 1692 H8 UFX A 141 8.060 28.017 19.377 1.00 0.00 H +HETATM 1693 C1 UFX A 142 26.597 9.280 -0.161 1.00 0.00 C +HETATM 1694 C2 UFX A 142 25.329 8.531 0.285 1.00 0.00 C +HETATM 1695 C3 UFX A 142 24.134 8.833 -0.634 1.00 0.00 C +HETATM 1696 O1 UFX A 142 23.794 10.217 -0.571 1.00 0.00 O +HETATM 1697 H1 UFX A 142 26.866 9.002 -1.180 1.00 0.00 H +HETATM 1698 H2 UFX A 142 26.439 10.358 -0.125 1.00 0.00 H +HETATM 1699 H3 UFX A 142 27.431 9.031 0.496 1.00 0.00 H +HETATM 1700 H4 UFX A 142 25.525 7.459 0.275 1.00 0.00 H +HETATM 1701 H5 UFX A 142 25.081 8.805 1.311 1.00 0.00 H +HETATM 1702 H6 UFX A 142 23.277 8.231 -0.332 1.00 0.00 H +HETATM 1703 H7 UFX A 142 24.376 8.560 -1.661 1.00 0.00 H +HETATM 1704 H8 UFX A 142 23.601 10.512 0.345 1.00 0.00 H +HETATM 1705 C1 UFX A 143 29.791 19.671 28.604 1.00 0.00 C +HETATM 1706 C2 UFX A 143 29.602 18.874 27.303 1.00 0.00 C +HETATM 1707 C3 UFX A 143 28.127 18.814 26.874 1.00 0.00 C +HETATM 1708 O1 UFX A 143 27.352 18.159 27.875 1.00 0.00 O +HETATM 1709 H1 UFX A 143 29.420 20.689 28.485 1.00 0.00 H +HETATM 1710 H2 UFX A 143 29.256 19.199 29.428 1.00 0.00 H +HETATM 1711 H3 UFX A 143 30.848 19.719 28.865 1.00 0.00 H +HETATM 1712 H4 UFX A 143 30.186 19.343 26.511 1.00 0.00 H +HETATM 1713 H5 UFX A 143 29.989 17.863 27.432 1.00 0.00 H +HETATM 1714 H6 UFX A 143 28.045 18.272 25.932 1.00 0.00 H +HETATM 1715 H7 UFX A 143 27.745 19.821 26.705 1.00 0.00 H +HETATM 1716 H8 UFX A 143 27.690 17.257 28.065 1.00 0.00 H +HETATM 1717 C1 UFX A 144 9.017 12.841 5.851 1.00 0.00 C +HETATM 1718 C2 UFX A 144 8.769 14.331 5.568 1.00 0.00 C +HETATM 1719 C3 UFX A 144 9.951 15.208 6.016 1.00 0.00 C +HETATM 1720 O1 UFX A 144 10.063 15.214 7.437 1.00 0.00 O +HETATM 1721 H1 UFX A 144 9.900 12.492 5.315 1.00 0.00 H +HETATM 1722 H2 UFX A 144 9.163 12.671 6.918 1.00 0.00 H +HETATM 1723 H3 UFX A 144 8.166 12.245 5.520 1.00 0.00 H +HETATM 1724 H4 UFX A 144 8.610 14.468 4.498 1.00 0.00 H +HETATM 1725 H5 UFX A 144 7.859 14.656 6.072 1.00 0.00 H +HETATM 1726 H6 UFX A 144 9.800 16.229 5.664 1.00 0.00 H +HETATM 1727 H7 UFX A 144 10.876 14.844 5.570 1.00 0.00 H +HETATM 1728 H8 UFX A 144 9.306 15.679 7.855 1.00 0.00 H +HETATM 1729 C1 UFX A 145 34.202 28.883 7.404 1.00 0.00 C +HETATM 1730 C2 UFX A 145 33.099 27.815 7.492 1.00 0.00 C +HETATM 1731 C3 UFX A 145 32.858 27.352 8.936 1.00 0.00 C +HETATM 1732 O1 UFX A 145 34.036 26.749 9.471 1.00 0.00 O +HETATM 1733 H1 UFX A 145 33.927 29.765 7.982 1.00 0.00 H +HETATM 1734 H2 UFX A 145 35.146 28.494 7.785 1.00 0.00 H +HETATM 1735 H3 UFX A 145 34.350 29.185 6.367 1.00 0.00 H +HETATM 1736 H4 UFX A 145 32.171 28.223 7.090 1.00 0.00 H +HETATM 1737 H5 UFX A 145 33.366 26.957 6.874 1.00 0.00 H +HETATM 1738 H6 UFX A 145 32.044 26.627 8.947 1.00 0.00 H +HETATM 1739 H7 UFX A 145 32.557 28.197 9.556 1.00 0.00 H +HETATM 1740 H8 UFX A 145 34.299 25.958 8.953 1.00 0.00 H +HETATM 1741 C1 UFX A 146 26.815 30.564 18.736 1.00 0.00 C +HETATM 1742 C2 UFX A 146 27.922 29.725 18.078 1.00 0.00 C +HETATM 1743 C3 UFX A 146 28.604 28.784 19.083 1.00 0.00 C +HETATM 1744 O1 UFX A 146 29.229 29.536 20.124 1.00 0.00 O +HETATM 1745 H1 UFX A 146 26.065 29.920 19.195 1.00 0.00 H +HETATM 1746 H2 UFX A 146 27.231 31.217 19.504 1.00 0.00 H +HETATM 1747 H3 UFX A 146 26.324 31.190 17.990 1.00 0.00 H +HETATM 1748 H4 UFX A 146 27.491 29.131 17.271 1.00 0.00 H +HETATM 1749 H5 UFX A 146 28.664 30.383 17.628 1.00 0.00 H +HETATM 1750 H6 UFX A 146 29.354 28.186 18.565 1.00 0.00 H +HETATM 1751 H7 UFX A 146 27.872 28.097 19.508 1.00 0.00 H +HETATM 1752 H8 UFX A 146 29.808 30.242 19.765 1.00 0.00 H +HETATM 1753 C1 UFX A 147 27.628 22.305 22.376 1.00 0.00 C +HETATM 1754 C2 UFX A 147 27.000 22.285 20.973 1.00 0.00 C +HETATM 1755 C3 UFX A 147 27.898 21.581 19.946 1.00 0.00 C +HETATM 1756 O1 UFX A 147 29.144 22.265 19.825 1.00 0.00 O +HETATM 1757 H1 UFX A 147 27.840 21.291 22.715 1.00 0.00 H +HETATM 1758 H2 UFX A 147 28.555 22.878 22.378 1.00 0.00 H +HETATM 1759 H3 UFX A 147 26.940 22.765 23.086 1.00 0.00 H +HETATM 1760 H4 UFX A 147 26.044 21.763 21.021 1.00 0.00 H +HETATM 1761 H5 UFX A 147 26.794 23.306 20.649 1.00 0.00 H +HETATM 1762 H6 UFX A 147 27.398 21.559 18.977 1.00 0.00 H +HETATM 1763 H7 UFX A 147 28.067 20.547 20.249 1.00 0.00 H +HETATM 1764 H8 UFX A 147 29.021 23.184 19.504 1.00 0.00 H +HETATM 1765 C1 UFX A 148 30.585 25.363 20.575 1.00 0.00 C +HETATM 1766 C2 UFX A 148 31.306 26.652 21.003 1.00 0.00 C +HETATM 1767 C3 UFX A 148 30.686 27.253 22.274 1.00 0.00 C +HETATM 1768 O1 UFX A 148 29.333 27.639 22.031 1.00 0.00 O +HETATM 1769 H1 UFX A 148 30.623 24.622 21.374 1.00 0.00 H +HETATM 1770 H2 UFX A 148 29.540 25.569 20.343 1.00 0.00 H +HETATM 1771 H3 UFX A 148 31.061 24.940 19.690 1.00 0.00 H +HETATM 1772 H4 UFX A 148 32.356 26.427 21.191 1.00 0.00 H +HETATM 1773 H5 UFX A 148 31.272 27.382 20.194 1.00 0.00 H +HETATM 1774 H6 UFX A 148 31.263 28.123 22.587 1.00 0.00 H +HETATM 1775 H7 UFX A 148 30.723 26.525 23.084 1.00 0.00 H +HETATM 1776 H8 UFX A 148 29.270 28.336 21.343 1.00 0.00 H +HETATM 1777 C1 UFX A 149 7.520 27.245 32.455 1.00 0.00 C +HETATM 1778 C2 UFX A 149 8.985 27.014 32.049 1.00 0.00 C +HETATM 1779 C3 UFX A 149 9.276 25.526 31.820 1.00 0.00 C +HETATM 1780 O1 UFX A 149 9.131 24.805 33.044 1.00 0.00 O +HETATM 1781 H1 UFX A 149 6.847 26.868 31.685 1.00 0.00 H +HETATM 1782 H2 UFX A 149 7.295 26.736 33.393 1.00 0.00 H +HETATM 1783 H3 UFX A 149 7.330 28.310 32.589 1.00 0.00 H +HETATM 1784 H4 UFX A 149 9.192 27.562 31.130 1.00 0.00 H +HETATM 1785 H5 UFX A 149 9.649 27.402 32.822 1.00 0.00 H +HETATM 1786 H6 UFX A 149 10.290 25.403 31.440 1.00 0.00 H +HETATM 1787 H7 UFX A 149 8.595 25.127 31.068 1.00 0.00 H +HETATM 1788 H8 UFX A 149 9.833 25.038 33.688 1.00 0.00 H +HETATM 1789 C1 UFX A 150 17.551 18.659 15.631 1.00 0.00 C +HETATM 1790 C2 UFX A 150 18.296 17.521 14.923 1.00 0.00 C +HETATM 1791 C3 UFX A 150 19.813 17.751 14.929 1.00 0.00 C +HETATM 1792 O1 UFX A 150 20.134 18.931 14.201 1.00 0.00 O +HETATM 1793 H1 UFX A 150 17.912 18.766 16.654 1.00 0.00 H +HETATM 1794 H2 UFX A 150 17.703 19.604 15.109 1.00 0.00 H +HETATM 1795 H3 UFX A 150 16.482 18.448 15.657 1.00 0.00 H +HETATM 1796 H4 UFX A 150 18.075 16.579 15.425 1.00 0.00 H +HETATM 1797 H5 UFX A 150 17.941 17.433 13.896 1.00 0.00 H +HETATM 1798 H6 UFX A 150 20.312 16.895 14.475 1.00 0.00 H +HETATM 1799 H7 UFX A 150 20.175 17.843 15.953 1.00 0.00 H +HETATM 1800 H8 UFX A 150 19.815 18.884 13.275 1.00 0.00 H +HETATM 1801 C1 UFX A 151 1.403 8.131 10.274 1.00 0.00 C +HETATM 1802 C2 UFX A 151 2.437 7.410 9.395 1.00 0.00 C +HETATM 1803 C3 UFX A 151 1.840 6.160 8.729 1.00 0.00 C +HETATM 1804 O1 UFX A 151 1.446 5.215 9.719 1.00 0.00 O +HETATM 1805 H1 UFX A 151 0.540 8.430 9.679 1.00 0.00 H +HETATM 1806 H2 UFX A 151 1.062 7.476 11.077 1.00 0.00 H +HETATM 1807 H3 UFX A 151 1.842 9.025 10.717 1.00 0.00 H +HETATM 1808 H4 UFX A 151 2.791 8.092 8.622 1.00 0.00 H +HETATM 1809 H5 UFX A 151 3.300 7.127 9.999 1.00 0.00 H +HETATM 1810 H6 UFX A 151 2.578 5.708 8.066 1.00 0.00 H +HETATM 1811 H7 UFX A 151 0.978 6.439 8.122 1.00 0.00 H +HETATM 1812 H8 UFX A 151 2.215 4.869 10.221 1.00 0.00 H +HETATM 1813 C1 UFX A 152 15.946 18.312 10.931 1.00 0.00 C +HETATM 1814 C2 UFX A 152 14.860 17.256 10.667 1.00 0.00 C +HETATM 1815 C3 UFX A 152 15.450 15.873 10.356 1.00 0.00 C +HETATM 1816 O1 UFX A 152 16.236 15.913 9.165 1.00 0.00 O +HETATM 1817 H1 UFX A 152 16.593 17.999 11.751 1.00 0.00 H +HETATM 1818 H2 UFX A 152 16.558 18.468 10.043 1.00 0.00 H +HETATM 1819 H3 UFX A 152 15.487 19.264 11.197 1.00 0.00 H +HETATM 1820 H4 UFX A 152 14.219 17.179 11.546 1.00 0.00 H +HETATM 1821 H5 UFX A 152 14.224 17.576 9.841 1.00 0.00 H +HETATM 1822 H6 UFX A 152 14.638 15.156 10.236 1.00 0.00 H +HETATM 1823 H7 UFX A 152 16.068 15.536 11.189 1.00 0.00 H +HETATM 1824 H8 UFX A 152 15.755 16.351 8.430 1.00 0.00 H +HETATM 1825 C1 UFX A 153 20.259 1.011 10.304 1.00 0.00 C +HETATM 1826 C2 UFX A 153 18.883 0.751 9.668 1.00 0.00 C +HETATM 1827 C3 UFX A 153 19.009 0.270 8.215 1.00 0.00 C +HETATM 1828 O1 UFX A 153 19.501 1.323 7.392 1.00 0.00 O +HETATM 1829 H1 UFX A 153 20.872 0.110 10.276 1.00 0.00 H +HETATM 1830 H2 UFX A 153 20.785 1.805 9.773 1.00 0.00 H +HETATM 1831 H3 UFX A 153 20.140 1.314 11.344 1.00 0.00 H +HETATM 1832 H4 UFX A 153 18.360 -0.009 10.250 1.00 0.00 H +HETATM 1833 H5 UFX A 153 18.279 1.658 9.707 1.00 0.00 H +HETATM 1834 H6 UFX A 153 18.033 -0.048 7.849 1.00 0.00 H +HETATM 1835 H7 UFX A 153 19.679 -0.588 8.160 1.00 0.00 H +HETATM 1836 H8 UFX A 153 18.889 2.090 7.385 1.00 0.00 H +HETATM 1837 C1 UFX A 154 20.573 1.127 22.309 1.00 0.00 C +HETATM 1838 C2 UFX A 154 19.397 0.872 23.266 1.00 0.00 C +HETATM 1839 C3 UFX A 154 19.177 -0.629 23.508 1.00 0.00 C +HETATM 1840 O1 UFX A 154 18.781 -1.265 22.295 1.00 0.00 O +HETATM 1841 H1 UFX A 154 21.495 0.723 22.727 1.00 0.00 H +HETATM 1842 H2 UFX A 154 20.395 0.659 21.340 1.00 0.00 H +HETATM 1843 H3 UFX A 154 20.709 2.197 22.154 1.00 0.00 H +HETATM 1844 H4 UFX A 154 19.600 1.363 24.218 1.00 0.00 H +HETATM 1845 H5 UFX A 154 18.487 1.313 22.862 1.00 0.00 H +HETATM 1846 H6 UFX A 154 18.398 -0.765 24.259 1.00 0.00 H +HETATM 1847 H7 UFX A 154 20.090 -1.086 23.891 1.00 0.00 H +HETATM 1848 H8 UFX A 154 17.969 -0.857 21.926 1.00 0.00 H +HETATM 1849 C1 UFX A 155 22.287 31.862 28.484 1.00 0.00 C +HETATM 1850 C2 UFX A 155 22.670 33.065 27.608 1.00 0.00 C +HETATM 1851 C3 UFX A 155 23.888 32.785 26.715 1.00 0.00 C +HETATM 1852 O1 UFX A 155 25.030 32.458 27.505 1.00 0.00 O +HETATM 1853 H1 UFX A 155 22.041 31.002 27.860 1.00 0.00 H +HETATM 1854 H2 UFX A 155 23.107 31.592 29.150 1.00 0.00 H +HETATM 1855 H3 UFX A 155 21.417 32.101 29.095 1.00 0.00 H +HETATM 1856 H4 UFX A 155 21.824 33.323 26.971 1.00 0.00 H +HETATM 1857 H5 UFX A 155 22.882 33.925 28.244 1.00 0.00 H +HETATM 1858 H6 UFX A 155 24.101 33.669 26.114 1.00 0.00 H +HETATM 1859 H7 UFX A 155 23.666 31.969 26.026 1.00 0.00 H +HETATM 1860 H8 UFX A 155 25.852 32.468 26.969 1.00 0.00 H +HETATM 1861 C1 UFX A 156 26.202 9.221 29.458 1.00 0.00 C +HETATM 1862 C2 UFX A 156 24.837 9.346 28.764 1.00 0.00 C +HETATM 1863 C3 UFX A 156 23.982 8.088 28.958 1.00 0.00 C +HETATM 1864 O1 UFX A 156 24.626 6.953 28.384 1.00 0.00 O +HETATM 1865 H1 UFX A 156 26.073 9.052 30.527 1.00 0.00 H +HETATM 1866 H2 UFX A 156 26.774 8.393 29.040 1.00 0.00 H +HETATM 1867 H3 UFX A 156 26.776 10.137 29.319 1.00 0.00 H +HETATM 1868 H4 UFX A 156 24.305 10.206 29.172 1.00 0.00 H +HETATM 1869 H5 UFX A 156 24.980 9.528 27.698 1.00 0.00 H +HETATM 1870 H6 UFX A 156 23.008 8.233 28.490 1.00 0.00 H +HETATM 1871 H7 UFX A 156 23.816 7.919 30.022 1.00 0.00 H +HETATM 1872 H8 UFX A 156 24.783 7.068 27.423 1.00 0.00 H +HETATM 1873 C1 UFX A 157 12.753 24.633 26.365 1.00 0.00 C +HETATM 1874 C2 UFX A 157 14.118 24.456 27.052 1.00 0.00 C +HETATM 1875 C3 UFX A 157 13.992 23.707 28.387 1.00 0.00 C +HETATM 1876 O1 UFX A 157 13.179 24.443 29.292 1.00 0.00 O +HETATM 1877 H1 UFX A 157 12.277 23.665 26.210 1.00 0.00 H +HETATM 1878 H2 UFX A 157 12.093 25.253 26.972 1.00 0.00 H +HETATM 1879 H3 UFX A 157 12.878 25.115 25.395 1.00 0.00 H +HETATM 1880 H4 UFX A 157 14.781 23.897 26.391 1.00 0.00 H +HETATM 1881 H5 UFX A 157 14.578 25.430 27.219 1.00 0.00 H +HETATM 1882 H6 UFX A 157 14.982 23.566 28.821 1.00 0.00 H +HETATM 1883 H7 UFX A 157 13.558 22.721 28.222 1.00 0.00 H +HETATM 1884 H8 UFX A 157 13.517 25.354 29.427 1.00 0.00 H +HETATM 1885 C1 UFX A 158 9.135 29.616 15.128 1.00 0.00 C +HETATM 1886 C2 UFX A 158 9.159 31.154 15.147 1.00 0.00 C +HETATM 1887 C3 UFX A 158 9.961 31.704 16.335 1.00 0.00 C +HETATM 1888 O1 UFX A 158 9.365 31.289 17.564 1.00 0.00 O +HETATM 1889 H1 UFX A 158 10.150 29.218 15.094 1.00 0.00 H +HETATM 1890 H2 UFX A 158 8.638 29.223 16.015 1.00 0.00 H +HETATM 1891 H3 UFX A 158 8.594 29.259 14.251 1.00 0.00 H +HETATM 1892 H4 UFX A 158 9.604 31.516 14.220 1.00 0.00 H +HETATM 1893 H5 UFX A 158 8.140 31.539 15.183 1.00 0.00 H +HETATM 1894 H6 UFX A 158 9.983 32.792 16.287 1.00 0.00 H +HETATM 1895 H7 UFX A 158 10.993 31.355 16.283 1.00 0.00 H +HETATM 1896 H8 UFX A 158 8.418 31.540 17.608 1.00 0.00 H +HETATM 1897 C1 UFX A 159 16.307 2.781 24.846 1.00 0.00 C +HETATM 1898 C2 UFX A 159 14.856 3.254 24.647 1.00 0.00 C +HETATM 1899 C3 UFX A 159 14.461 3.284 23.161 1.00 0.00 C +HETATM 1900 O1 UFX A 159 15.251 4.241 22.459 1.00 0.00 O +HETATM 1901 H1 UFX A 159 16.443 1.781 24.435 1.00 0.00 H +HETATM 1902 H2 UFX A 159 17.005 3.459 24.354 1.00 0.00 H +HETATM 1903 H3 UFX A 159 16.551 2.754 25.908 1.00 0.00 H +HETATM 1904 H4 UFX A 159 14.186 2.579 25.179 1.00 0.00 H +HETATM 1905 H5 UFX A 159 14.729 4.245 25.083 1.00 0.00 H +HETATM 1906 H6 UFX A 159 13.406 3.545 23.068 1.00 0.00 H +HETATM 1907 H7 UFX A 159 14.592 2.295 22.721 1.00 0.00 H +HETATM 1908 H8 UFX A 159 15.173 5.133 22.861 1.00 0.00 H +HETATM 1909 C1 UFX A 160 16.022 -0.330 15.269 1.00 0.00 C +HETATM 1910 C2 UFX A 160 16.417 0.769 14.266 1.00 0.00 C +HETATM 1911 C3 UFX A 160 17.934 0.806 14.007 1.00 0.00 C +HETATM 1912 O1 UFX A 160 18.628 1.170 15.200 1.00 0.00 O +HETATM 1913 H1 UFX A 160 16.315 -1.312 14.897 1.00 0.00 H +HETATM 1914 H2 UFX A 160 16.503 -0.160 16.232 1.00 0.00 H +HETATM 1915 H3 UFX A 160 14.942 -0.326 15.424 1.00 0.00 H +HETATM 1916 H4 UFX A 160 15.891 0.599 13.327 1.00 0.00 H +HETATM 1917 H5 UFX A 160 16.091 1.738 14.645 1.00 0.00 H +HETATM 1918 H6 UFX A 160 18.151 1.532 13.224 1.00 0.00 H +HETATM 1919 H7 UFX A 160 18.277 -0.163 13.643 1.00 0.00 H +HETATM 1920 H8 UFX A 160 18.342 2.048 15.532 1.00 0.00 H +HETATM 1921 C1 UFX A 161 26.188 11.976 32.088 1.00 0.00 C +HETATM 1922 C2 UFX A 161 24.994 12.761 32.648 1.00 0.00 C +HETATM 1923 C3 UFX A 161 23.693 12.407 31.914 1.00 0.00 C +HETATM 1924 O1 UFX A 161 23.714 12.963 30.599 1.00 0.00 O +HETATM 1925 H1 UFX A 161 26.021 10.905 32.205 1.00 0.00 H +HETATM 1926 H2 UFX A 161 26.326 12.191 31.028 1.00 0.00 H +HETATM 1927 H3 UFX A 161 27.101 12.243 32.621 1.00 0.00 H +HETATM 1928 H4 UFX A 161 24.882 12.524 33.706 1.00 0.00 H +HETATM 1929 H5 UFX A 161 25.184 13.832 32.579 1.00 0.00 H +HETATM 1930 H6 UFX A 161 22.842 12.808 32.465 1.00 0.00 H +HETATM 1931 H7 UFX A 161 23.573 11.325 31.866 1.00 0.00 H +HETATM 1932 H8 UFX A 161 23.800 13.940 30.621 1.00 0.00 H +HETATM 1933 C1 UFX A 162 21.048 21.949 23.685 1.00 0.00 C +HETATM 1934 C2 UFX A 162 21.901 22.501 22.530 1.00 0.00 C +HETATM 1935 C3 UFX A 162 23.137 21.633 22.246 1.00 0.00 C +HETATM 1936 O1 UFX A 162 23.937 21.487 23.415 1.00 0.00 O +HETATM 1937 H1 UFX A 162 20.714 20.935 23.465 1.00 0.00 H +HETATM 1938 H2 UFX A 162 21.621 21.939 24.613 1.00 0.00 H +HETATM 1939 H3 UFX A 162 20.171 22.578 23.838 1.00 0.00 H +HETATM 1940 H4 UFX A 162 21.288 22.556 21.630 1.00 0.00 H +HETATM 1941 H5 UFX A 162 22.217 23.518 22.760 1.00 0.00 H +HETATM 1942 H6 UFX A 162 23.729 22.092 21.453 1.00 0.00 H +HETATM 1943 H7 UFX A 162 22.826 20.649 21.895 1.00 0.00 H +HETATM 1944 H8 UFX A 162 24.203 22.353 23.791 1.00 0.00 H +HETATM 1945 C1 UFX A 163 17.427 7.048 29.919 1.00 0.00 C +HETATM 1946 C2 UFX A 163 17.507 5.527 30.135 1.00 0.00 C +HETATM 1947 C3 UFX A 163 17.757 4.780 28.817 1.00 0.00 C +HETATM 1948 O1 UFX A 163 16.635 4.904 27.947 1.00 0.00 O +HETATM 1949 H1 UFX A 163 18.352 7.417 29.476 1.00 0.00 H +HETATM 1950 H2 UFX A 163 16.599 7.301 29.257 1.00 0.00 H +HETATM 1951 H3 UFX A 163 17.275 7.557 30.871 1.00 0.00 H +HETATM 1952 H4 UFX A 163 18.325 5.313 30.822 1.00 0.00 H +HETATM 1953 H5 UFX A 163 16.588 5.165 30.596 1.00 0.00 H +HETATM 1954 H6 UFX A 163 17.939 3.724 29.020 1.00 0.00 H +HETATM 1955 H7 UFX A 163 18.651 5.179 28.337 1.00 0.00 H +HETATM 1956 H8 UFX A 163 15.827 4.506 28.334 1.00 0.00 H +HETATM 1957 C1 UFX A 164 9.253 27.363 24.851 1.00 0.00 C +HETATM 1958 C2 UFX A 164 10.094 26.710 23.747 1.00 0.00 C +HETATM 1959 C3 UFX A 164 9.212 26.229 22.590 1.00 0.00 C +HETATM 1960 O1 UFX A 164 8.431 25.104 22.989 1.00 0.00 O +HETATM 1961 H1 UFX A 164 8.740 28.244 24.463 1.00 0.00 H +HETATM 1962 H2 UFX A 164 8.504 26.666 25.227 1.00 0.00 H +HETATM 1963 H3 UFX A 164 9.889 27.672 25.681 1.00 0.00 H +HETATM 1964 H4 UFX A 164 10.812 27.439 23.370 1.00 0.00 H +HETATM 1965 H5 UFX A 164 10.660 25.874 24.159 1.00 0.00 H +HETATM 1966 H6 UFX A 164 9.836 25.955 21.739 1.00 0.00 H +HETATM 1967 H7 UFX A 164 8.558 27.039 22.265 1.00 0.00 H +HETATM 1968 H8 UFX A 164 8.978 24.293 23.070 1.00 0.00 H +HETATM 1969 C1 UFX A 165 11.667 24.906 19.211 1.00 0.00 C +HETATM 1970 C2 UFX A 165 12.970 24.391 18.574 1.00 0.00 C +HETATM 1971 C3 UFX A 165 13.049 24.725 17.076 1.00 0.00 C +HETATM 1972 O1 UFX A 165 12.081 23.978 16.345 1.00 0.00 O +HETATM 1973 H1 UFX A 165 11.552 25.977 19.044 1.00 0.00 H +HETATM 1974 H2 UFX A 165 10.802 24.396 18.786 1.00 0.00 H +HETATM 1975 H3 UFX A 165 11.675 24.726 20.286 1.00 0.00 H +HETATM 1976 H4 UFX A 165 13.819 24.846 19.086 1.00 0.00 H +HETATM 1977 H5 UFX A 165 13.050 23.313 18.716 1.00 0.00 H +HETATM 1978 H6 UFX A 165 14.044 24.487 16.699 1.00 0.00 H +HETATM 1979 H7 UFX A 165 12.888 25.793 16.924 1.00 0.00 H +HETATM 1980 H8 UFX A 165 12.281 23.017 16.357 1.00 0.00 H +HETATM 1981 C1 UFX A 166 25.336 3.790 28.835 1.00 0.00 C +HETATM 1982 C2 UFX A 166 25.580 2.293 29.085 1.00 0.00 C +HETATM 1983 C3 UFX A 166 26.686 2.058 30.125 1.00 0.00 C +HETATM 1984 O1 UFX A 166 27.919 2.617 29.679 1.00 0.00 O +HETATM 1985 H1 UFX A 166 25.119 4.303 29.772 1.00 0.00 H +HETATM 1986 H2 UFX A 166 26.210 4.255 28.380 1.00 0.00 H +HETATM 1987 H3 UFX A 166 24.489 3.931 28.164 1.00 0.00 H +HETATM 1988 H4 UFX A 166 24.657 1.835 29.440 1.00 0.00 H +HETATM 1989 H5 UFX A 166 25.845 1.800 28.150 1.00 0.00 H +HETATM 1990 H6 UFX A 166 26.809 0.987 30.287 1.00 0.00 H +HETATM 1991 H7 UFX A 166 26.403 2.505 31.078 1.00 0.00 H +HETATM 1992 H8 UFX A 166 28.150 2.314 28.775 1.00 0.00 H +HETATM 1993 C1 UFX A 167 9.983 3.694 19.765 1.00 0.00 C +HETATM 1994 C2 UFX A 167 11.269 4.154 19.061 1.00 0.00 C +HETATM 1995 C3 UFX A 167 11.829 5.442 19.677 1.00 0.00 C +HETATM 1996 O1 UFX A 167 10.976 6.550 19.388 1.00 0.00 O +HETATM 1997 H1 UFX A 167 10.168 3.520 20.825 1.00 0.00 H +HETATM 1998 H2 UFX A 167 9.199 4.446 19.665 1.00 0.00 H +HETATM 1999 H3 UFX A 167 9.624 2.766 19.320 1.00 0.00 H +HETATM 2000 H4 UFX A 167 12.019 3.367 19.145 1.00 0.00 H +HETATM 2001 H5 UFX A 167 11.081 4.301 17.998 1.00 0.00 H +HETATM 2002 H6 UFX A 167 12.817 5.636 19.260 1.00 0.00 H +HETATM 2003 H7 UFX A 167 11.943 5.323 20.754 1.00 0.00 H +HETATM 2004 H8 UFX A 167 10.891 6.693 18.421 1.00 0.00 H +HETATM 2005 C1 UFX A 168 12.318 0.468 20.037 1.00 0.00 C +HETATM 2006 C2 UFX A 168 12.593 -0.453 18.837 1.00 0.00 C +HETATM 2007 C3 UFX A 168 12.380 0.264 17.496 1.00 0.00 C +HETATM 2008 O1 UFX A 168 11.020 0.674 17.357 1.00 0.00 O +HETATM 2009 H1 UFX A 168 12.960 1.349 19.997 1.00 0.00 H +HETATM 2010 H2 UFX A 168 11.278 0.795 20.043 1.00 0.00 H +HETATM 2011 H3 UFX A 168 12.517 -0.058 20.970 1.00 0.00 H +HETATM 2012 H4 UFX A 168 13.625 -0.801 18.885 1.00 0.00 H +HETATM 2013 H5 UFX A 168 11.950 -1.332 18.890 1.00 0.00 H +HETATM 2014 H6 UFX A 168 12.642 -0.411 16.680 1.00 0.00 H +HETATM 2015 H7 UFX A 168 13.038 1.130 17.431 1.00 0.00 H +HETATM 2016 H8 UFX A 168 10.401 -0.071 17.511 1.00 0.00 H +HETATM 2017 C1 UFX A 169 23.691 32.381 6.638 1.00 0.00 C +HETATM 2018 C2 UFX A 169 22.331 32.540 5.937 1.00 0.00 C +HETATM 2019 C3 UFX A 169 21.197 31.888 6.741 1.00 0.00 C +HETATM 2020 O1 UFX A 169 21.416 30.484 6.847 1.00 0.00 O +HETATM 2021 H1 UFX A 169 23.662 32.827 7.633 1.00 0.00 H +HETATM 2022 H2 UFX A 169 23.954 31.328 6.735 1.00 0.00 H +HETATM 2023 H3 UFX A 169 24.472 32.876 6.061 1.00 0.00 H +HETATM 2024 H4 UFX A 169 22.110 33.600 5.810 1.00 0.00 H +HETATM 2025 H5 UFX A 169 22.376 32.099 4.941 1.00 0.00 H +HETATM 2026 H6 UFX A 169 20.243 32.073 6.246 1.00 0.00 H +HETATM 2027 H7 UFX A 169 21.145 32.334 7.734 1.00 0.00 H +HETATM 2028 H8 UFX A 169 21.464 30.057 5.965 1.00 0.00 H +HETATM 2029 C1 UFX A 170 2.275 10.520 16.723 1.00 0.00 C +HETATM 2030 C2 UFX A 170 2.468 12.044 16.783 1.00 0.00 C +HETATM 2031 C3 UFX A 170 3.845 12.424 17.346 1.00 0.00 C +HETATM 2032 O1 UFX A 170 3.968 11.980 18.696 1.00 0.00 O +HETATM 2033 H1 UFX A 170 3.062 10.058 16.127 1.00 0.00 H +HETATM 2034 H2 UFX A 170 2.292 10.089 17.724 1.00 0.00 H +HETATM 2035 H3 UFX A 170 1.315 10.281 16.265 1.00 0.00 H +HETATM 2036 H4 UFX A 170 2.372 12.453 15.777 1.00 0.00 H +HETATM 2037 H5 UFX A 170 1.682 12.493 17.391 1.00 0.00 H +HETATM 2038 H6 UFX A 170 3.972 13.505 17.303 1.00 0.00 H +HETATM 2039 H7 UFX A 170 4.629 11.976 16.735 1.00 0.00 H +HETATM 2040 H8 UFX A 170 3.285 12.380 19.276 1.00 0.00 H +HETATM 2041 C1 UFX A 171 6.122 21.670 13.849 1.00 0.00 C +HETATM 2042 C2 UFX A 171 5.342 22.947 13.494 1.00 0.00 C +HETATM 2043 C3 UFX A 171 4.772 22.886 12.068 1.00 0.00 C +HETATM 2044 O1 UFX A 171 5.824 22.858 11.109 1.00 0.00 O +HETATM 2045 H1 UFX A 171 5.499 20.787 13.702 1.00 0.00 H +HETATM 2046 H2 UFX A 171 7.012 21.579 13.225 1.00 0.00 H +HETATM 2047 H3 UFX A 171 6.436 21.696 14.893 1.00 0.00 H +HETATM 2048 H4 UFX A 171 4.520 23.069 14.199 1.00 0.00 H +HETATM 2049 H5 UFX A 171 5.990 23.818 13.597 1.00 0.00 H +HETATM 2050 H6 UFX A 171 4.140 23.757 11.891 1.00 0.00 H +HETATM 2051 H7 UFX A 171 4.148 21.999 11.957 1.00 0.00 H +HETATM 2052 H8 UFX A 171 6.384 23.663 11.162 1.00 0.00 H +HETATM 2053 C1 UFX A 172 18.575 21.033 26.472 1.00 0.00 C +HETATM 2054 C2 UFX A 172 17.461 21.700 27.296 1.00 0.00 C +HETATM 2055 C3 UFX A 172 16.300 20.741 27.590 1.00 0.00 C +HETATM 2056 O1 UFX A 172 15.718 20.279 26.374 1.00 0.00 O +HETATM 2057 H1 UFX A 172 18.958 20.152 26.988 1.00 0.00 H +HETATM 2058 H2 UFX A 172 18.202 20.730 25.493 1.00 0.00 H +HETATM 2059 H3 UFX A 172 19.399 21.731 26.323 1.00 0.00 H +HETATM 2060 H4 UFX A 172 17.877 22.048 28.241 1.00 0.00 H +HETATM 2061 H5 UFX A 172 17.087 22.575 26.764 1.00 0.00 H +HETATM 2062 H6 UFX A 172 15.545 21.251 28.189 1.00 0.00 H +HETATM 2063 H7 UFX A 172 16.657 19.895 28.177 1.00 0.00 H +HETATM 2064 H8 UFX A 172 15.445 21.019 25.791 1.00 0.00 H +HETATM 2065 C1 UFX A 173 9.467 9.146 29.807 1.00 0.00 C +HETATM 2066 C2 UFX A 173 9.459 8.411 31.155 1.00 0.00 C +HETATM 2067 C3 UFX A 173 8.999 6.951 31.028 1.00 0.00 C +HETATM 2068 O1 UFX A 173 7.677 6.883 30.486 1.00 0.00 O +HETATM 2069 H1 UFX A 173 10.083 8.613 29.082 1.00 0.00 H +HETATM 2070 H2 UFX A 173 8.455 9.237 29.411 1.00 0.00 H +HETATM 2071 H3 UFX A 173 9.878 10.148 29.930 1.00 0.00 H +HETATM 2072 H4 UFX A 173 10.463 8.430 31.578 1.00 0.00 H +HETATM 2073 H5 UFX A 173 8.810 8.942 31.851 1.00 0.00 H +HETATM 2074 H6 UFX A 173 9.019 6.478 32.010 1.00 0.00 H +HETATM 2075 H7 UFX A 173 9.689 6.395 30.392 1.00 0.00 H +HETATM 2076 H8 UFX A 173 7.346 5.961 30.449 1.00 0.00 H +HETATM 2077 C1 UFX A 174 5.081 26.304 28.823 1.00 0.00 C +HETATM 2078 C2 UFX A 174 4.291 26.138 27.512 1.00 0.00 C +HETATM 2079 C3 UFX A 174 5.017 26.771 26.314 1.00 0.00 C +HETATM 2080 O1 UFX A 174 5.151 28.179 26.508 1.00 0.00 O +HETATM 2081 H1 UFX A 174 6.065 25.842 28.740 1.00 0.00 H +HETATM 2082 H2 UFX A 174 5.211 27.359 29.067 1.00 0.00 H +HETATM 2083 H3 UFX A 174 4.550 25.825 29.646 1.00 0.00 H +HETATM 2084 H4 UFX A 174 4.144 25.075 27.320 1.00 0.00 H +HETATM 2085 H5 UFX A 174 3.302 26.583 27.619 1.00 0.00 H +HETATM 2086 H6 UFX A 174 4.453 26.577 25.401 1.00 0.00 H +HETATM 2087 H7 UFX A 174 6.001 26.319 26.190 1.00 0.00 H +HETATM 2088 H8 UFX A 174 4.279 28.627 26.516 1.00 0.00 H +HETATM 2089 C1 UFX A 175 9.484 28.511 7.349 1.00 0.00 C +HETATM 2090 C2 UFX A 175 10.077 29.830 6.831 1.00 0.00 C +HETATM 2091 C3 UFX A 175 11.587 29.907 7.086 1.00 0.00 C +HETATM 2092 O1 UFX A 175 11.874 29.815 8.480 1.00 0.00 O +HETATM 2093 H1 UFX A 175 9.975 27.660 6.878 1.00 0.00 H +HETATM 2094 H2 UFX A 175 9.614 28.434 8.429 1.00 0.00 H +HETATM 2095 H3 UFX A 175 8.418 28.462 7.128 1.00 0.00 H +HETATM 2096 H4 UFX A 175 9.893 29.912 5.760 1.00 0.00 H +HETATM 2097 H5 UFX A 175 9.583 30.675 7.312 1.00 0.00 H +HETATM 2098 H6 UFX A 175 11.977 30.845 6.691 1.00 0.00 H +HETATM 2099 H7 UFX A 175 12.083 29.092 6.559 1.00 0.00 H +HETATM 2100 H8 UFX A 175 12.838 29.839 8.658 1.00 0.00 H +HETATM 2101 C1 UFX A 176 10.973 6.488 16.035 1.00 0.00 C +HETATM 2102 C2 UFX A 176 11.066 7.623 15.007 1.00 0.00 C +HETATM 2103 C3 UFX A 176 12.306 7.483 14.114 1.00 0.00 C +HETATM 2104 O1 UFX A 176 13.496 7.552 14.894 1.00 0.00 O +HETATM 2105 H1 UFX A 176 10.906 5.524 15.531 1.00 0.00 H +HETATM 2106 H2 UFX A 176 11.851 6.483 16.682 1.00 0.00 H +HETATM 2107 H3 UFX A 176 10.085 6.614 16.655 1.00 0.00 H +HETATM 2108 H4 UFX A 176 10.172 7.613 14.383 1.00 0.00 H +HETATM 2109 H5 UFX A 176 11.091 8.583 15.523 1.00 0.00 H +HETATM 2110 H6 UFX A 176 12.318 8.281 13.372 1.00 0.00 H +HETATM 2111 H7 UFX A 176 12.270 6.534 13.578 1.00 0.00 H +HETATM 2112 H8 UFX A 176 13.595 8.428 15.326 1.00 0.00 H +HETATM 2113 C1 UFX A 177 6.227 17.616 29.596 1.00 0.00 C +HETATM 2114 C2 UFX A 177 7.604 18.020 29.051 1.00 0.00 C +HETATM 2115 C3 UFX A 177 7.624 19.481 28.584 1.00 0.00 C +HETATM 2116 O1 UFX A 177 6.671 19.670 27.542 1.00 0.00 O +HETATM 2117 H1 UFX A 177 5.981 18.197 30.485 1.00 0.00 H +HETATM 2118 H2 UFX A 177 5.457 17.783 28.843 1.00 0.00 H +HETATM 2119 H3 UFX A 177 6.218 16.557 29.855 1.00 0.00 H +HETATM 2120 H4 UFX A 177 8.358 17.874 29.824 1.00 0.00 H +HETATM 2121 H5 UFX A 177 7.869 17.372 28.215 1.00 0.00 H +HETATM 2122 H6 UFX A 177 8.623 19.728 28.225 1.00 0.00 H +HETATM 2123 H7 UFX A 177 7.400 20.149 29.417 1.00 0.00 H +HETATM 2124 H8 UFX A 177 6.692 18.937 26.890 1.00 0.00 H +HETATM 2125 C1 UFX A 178 28.374 28.901 13.653 1.00 0.00 C +HETATM 2126 C2 UFX A 178 28.154 29.371 12.205 1.00 0.00 C +HETATM 2127 C3 UFX A 178 29.086 28.646 11.224 1.00 0.00 C +HETATM 2128 O1 UFX A 178 30.448 28.991 11.489 1.00 0.00 O +HETATM 2129 H1 UFX A 178 28.207 27.826 13.735 1.00 0.00 H +HETATM 2130 H2 UFX A 178 29.390 29.121 13.981 1.00 0.00 H +HETATM 2131 H3 UFX A 178 27.680 29.409 14.322 1.00 0.00 H +HETATM 2132 H4 UFX A 178 27.119 29.177 11.922 1.00 0.00 H +HETATM 2133 H5 UFX A 178 28.309 30.448 12.136 1.00 0.00 H +HETATM 2134 H6 UFX A 178 28.831 28.926 10.202 1.00 0.00 H +HETATM 2135 H7 UFX A 178 28.948 27.568 11.313 1.00 0.00 H +HETATM 2136 H8 UFX A 178 30.609 29.949 11.357 1.00 0.00 H +HETATM 2137 C1 UFX A 179 29.055 16.304 15.520 1.00 0.00 C +HETATM 2138 C2 UFX A 179 30.456 16.800 15.128 1.00 0.00 C +HETATM 2139 C3 UFX A 179 30.954 16.134 13.838 1.00 0.00 C +HETATM 2140 O1 UFX A 179 31.095 14.725 14.026 1.00 0.00 O +HETATM 2141 H1 UFX A 179 28.349 16.469 14.705 1.00 0.00 H +HETATM 2142 H2 UFX A 179 29.073 15.240 15.755 1.00 0.00 H +HETATM 2143 H3 UFX A 179 28.703 16.845 16.398 1.00 0.00 H +HETATM 2144 H4 UFX A 179 30.422 17.879 14.977 1.00 0.00 H +HETATM 2145 H5 UFX A 179 31.159 16.608 15.939 1.00 0.00 H +HETATM 2146 H6 UFX A 179 31.914 16.564 13.550 1.00 0.00 H +HETATM 2147 H7 UFX A 179 30.253 16.336 13.027 1.00 0.00 H +HETATM 2148 H8 UFX A 179 31.740 14.512 14.734 1.00 0.00 H +HETATM 2149 C1 UFX A 180 9.128 3.442 31.977 1.00 0.00 C +HETATM 2150 C2 UFX A 180 8.390 2.637 30.895 1.00 0.00 C +HETATM 2151 C3 UFX A 180 7.770 3.544 29.822 1.00 0.00 C +HETATM 2152 O1 UFX A 180 6.787 4.400 30.410 1.00 0.00 O +HETATM 2153 H1 UFX A 180 9.925 4.038 31.533 1.00 0.00 H +HETATM 2154 H2 UFX A 180 8.440 4.104 32.502 1.00 0.00 H +HETATM 2155 H3 UFX A 180 9.574 2.766 32.708 1.00 0.00 H +HETATM 2156 H4 UFX A 180 9.094 1.954 30.419 1.00 0.00 H +HETATM 2157 H5 UFX A 180 7.612 2.027 31.355 1.00 0.00 H +HETATM 2158 H6 UFX A 180 7.305 2.930 29.050 1.00 0.00 H +HETATM 2159 H7 UFX A 180 8.548 4.138 29.343 1.00 0.00 H +HETATM 2160 H8 UFX A 180 6.082 3.886 30.859 1.00 0.00 H +HETATM 2161 C1 UFX A 181 22.315 9.036 2.846 1.00 0.00 C +HETATM 2162 C2 UFX A 181 23.085 10.109 3.625 1.00 0.00 C +HETATM 2163 C3 UFX A 181 22.826 11.515 3.077 1.00 0.00 C +HETATM 2164 O1 UFX A 181 23.334 11.638 1.750 1.00 0.00 O +HETATM 2165 H1 UFX A 181 21.241 9.214 2.906 1.00 0.00 H +HETATM 2166 H2 UFX A 181 22.604 9.036 1.795 1.00 0.00 H +HETATM 2167 H3 UFX A 181 22.534 8.051 3.258 1.00 0.00 H +HETATM 2168 H4 UFX A 181 22.792 10.071 4.674 1.00 0.00 H +HETATM 2169 H5 UFX A 181 24.154 9.898 3.582 1.00 0.00 H +HETATM 2170 H6 UFX A 181 23.321 12.243 3.719 1.00 0.00 H +HETATM 2171 H7 UFX A 181 21.758 11.732 3.092 1.00 0.00 H +HETATM 2172 H8 UFX A 181 23.381 12.579 1.474 1.00 0.00 H +HETATM 2173 C1 UFX A 182 28.653 16.964 19.441 1.00 0.00 C +HETATM 2174 C2 UFX A 182 30.162 16.785 19.196 1.00 0.00 C +HETATM 2175 C3 UFX A 182 30.556 15.312 19.009 1.00 0.00 C +HETATM 2176 O1 UFX A 182 30.242 14.556 20.177 1.00 0.00 O +HETATM 2177 H1 UFX A 182 28.075 16.539 18.620 1.00 0.00 H +HETATM 2178 H2 UFX A 182 28.348 16.474 20.366 1.00 0.00 H +HETATM 2179 H3 UFX A 182 28.415 18.024 19.519 1.00 0.00 H +HETATM 2180 H4 UFX A 182 30.447 17.346 18.306 1.00 0.00 H +HETATM 2181 H5 UFX A 182 30.722 17.208 20.030 1.00 0.00 H +HETATM 2182 H6 UFX A 182 31.627 15.248 18.812 1.00 0.00 H +HETATM 2183 H7 UFX A 182 30.039 14.894 18.145 1.00 0.00 H +HETATM 2184 H8 UFX A 182 30.579 14.989 20.990 1.00 0.00 H +HETATM 2185 C1 UFX A 183 4.871 22.751 19.475 1.00 0.00 C +HETATM 2186 C2 UFX A 183 3.447 22.854 20.052 1.00 0.00 C +HETATM 2187 C3 UFX A 183 2.779 24.199 19.711 1.00 0.00 C +HETATM 2188 O1 UFX A 183 3.490 25.293 20.288 1.00 0.00 O +HETATM 2189 H1 UFX A 183 4.853 22.847 18.389 1.00 0.00 H +HETATM 2190 H2 UFX A 183 5.513 23.533 19.881 1.00 0.00 H +HETATM 2191 H3 UFX A 183 5.312 21.786 19.726 1.00 0.00 H +HETATM 2192 H4 UFX A 183 2.842 22.044 19.645 1.00 0.00 H +HETATM 2193 H5 UFX A 183 3.476 22.716 21.133 1.00 0.00 H +HETATM 2194 H6 UFX A 183 1.752 24.195 20.077 1.00 0.00 H +HETATM 2195 H7 UFX A 183 2.739 24.323 18.629 1.00 0.00 H +HETATM 2196 H8 UFX A 183 3.542 25.232 21.266 1.00 0.00 H +HETATM 2197 C1 UFX A 184 19.705 17.326 9.101 1.00 0.00 C +HETATM 2198 C2 UFX A 184 20.549 18.536 9.541 1.00 0.00 C +HETATM 2199 C3 UFX A 184 20.627 18.649 11.070 1.00 0.00 C +HETATM 2200 O1 UFX A 184 19.332 18.906 11.613 1.00 0.00 O +HETATM 2201 H1 UFX A 184 20.147 16.400 9.468 1.00 0.00 H +HETATM 2202 H2 UFX A 184 18.689 17.402 9.489 1.00 0.00 H +HETATM 2203 H3 UFX A 184 19.656 17.277 8.013 1.00 0.00 H +HETATM 2204 H4 UFX A 184 21.558 18.432 9.141 1.00 0.00 H +HETATM 2205 H5 UFX A 184 20.131 19.454 9.129 1.00 0.00 H +HETATM 2206 H6 UFX A 184 21.304 19.459 11.343 1.00 0.00 H +HETATM 2207 H7 UFX A 184 21.030 17.729 11.492 1.00 0.00 H +HETATM 2208 H8 UFX A 184 18.945 19.736 11.260 1.00 0.00 H +HETATM 2209 C1 UFX A 185 9.173 14.686 23.937 1.00 0.00 C +HETATM 2210 C2 UFX A 185 9.547 15.557 25.144 1.00 0.00 C +HETATM 2211 C3 UFX A 185 8.956 15.015 26.453 1.00 0.00 C +HETATM 2212 O1 UFX A 185 7.531 15.035 26.404 1.00 0.00 O +HETATM 2213 H1 UFX A 185 9.484 13.654 24.097 1.00 0.00 H +HETATM 2214 H2 UFX A 185 8.096 14.709 23.766 1.00 0.00 H +HETATM 2215 H3 UFX A 185 9.669 15.059 23.040 1.00 0.00 H +HETATM 2216 H4 UFX A 185 10.632 15.589 25.237 1.00 0.00 H +HETATM 2217 H5 UFX A 185 9.201 16.577 24.976 1.00 0.00 H +HETATM 2218 H6 UFX A 185 9.303 15.623 27.288 1.00 0.00 H +HETATM 2219 H7 UFX A 185 9.305 13.997 26.623 1.00 0.00 H +HETATM 2220 H8 UFX A 185 7.188 15.934 26.214 1.00 0.00 H +HETATM 2221 C1 UFX A 186 25.548 31.274 23.636 1.00 0.00 C +HETATM 2222 C2 UFX A 186 26.570 31.385 22.492 1.00 0.00 C +HETATM 2223 C3 UFX A 186 27.859 32.099 22.931 1.00 0.00 C +HETATM 2224 O1 UFX A 186 27.581 33.402 23.451 1.00 0.00 O +HETATM 2225 H1 UFX A 186 25.975 30.747 24.489 1.00 0.00 H +HETATM 2226 H2 UFX A 186 25.226 32.263 23.961 1.00 0.00 H +HETATM 2227 H3 UFX A 186 24.667 30.726 23.300 1.00 0.00 H +HETATM 2228 H4 UFX A 186 26.822 30.385 22.137 1.00 0.00 H +HETATM 2229 H5 UFX A 186 26.121 31.917 21.653 1.00 0.00 H +HETATM 2230 H6 UFX A 186 28.542 32.178 22.085 1.00 0.00 H +HETATM 2231 H7 UFX A 186 28.360 31.502 23.694 1.00 0.00 H +HETATM 2232 H8 UFX A 186 27.273 34.020 22.754 1.00 0.00 H +HETATM 2233 C1 UFX A 187 12.853 15.679 15.387 1.00 0.00 C +HETATM 2234 C2 UFX A 187 13.176 15.244 13.950 1.00 0.00 C +HETATM 2235 C3 UFX A 187 14.617 14.733 13.812 1.00 0.00 C +HETATM 2236 O1 UFX A 187 15.556 15.729 14.210 1.00 0.00 O +HETATM 2237 H1 UFX A 187 13.031 14.862 16.086 1.00 0.00 H +HETATM 2238 H2 UFX A 187 13.473 16.530 15.670 1.00 0.00 H +HETATM 2239 H3 UFX A 187 11.809 15.982 15.467 1.00 0.00 H +HETATM 2240 H4 UFX A 187 12.490 14.451 13.649 1.00 0.00 H +HETATM 2241 H5 UFX A 187 13.018 16.082 13.270 1.00 0.00 H +HETATM 2242 H6 UFX A 187 14.803 14.449 12.776 1.00 0.00 H +HETATM 2243 H7 UFX A 187 14.749 13.838 14.419 1.00 0.00 H +HETATM 2244 H8 UFX A 187 15.442 16.564 13.707 1.00 0.00 H +HETATM 2245 C1 UFX A 188 1.635 21.369 10.363 1.00 0.00 C +HETATM 2246 C2 UFX A 188 0.736 20.343 9.652 1.00 0.00 C +HETATM 2247 C3 UFX A 188 0.103 20.912 8.374 1.00 0.00 C +HETATM 2248 O1 UFX A 188 -0.741 22.017 8.693 1.00 0.00 O +HETATM 2249 H1 UFX A 188 2.456 21.676 9.716 1.00 0.00 H +HETATM 2250 H2 UFX A 188 1.065 22.254 10.648 1.00 0.00 H +HETATM 2251 H3 UFX A 188 2.059 20.933 11.268 1.00 0.00 H +HETATM 2252 H4 UFX A 188 1.332 19.466 9.396 1.00 0.00 H +HETATM 2253 H5 UFX A 188 -0.048 20.010 10.332 1.00 0.00 H +HETATM 2254 H6 UFX A 188 -0.481 20.136 7.879 1.00 0.00 H +HETATM 2255 H7 UFX A 188 0.882 21.226 7.678 1.00 0.00 H +HETATM 2256 H8 UFX A 188 -1.435 21.766 9.340 1.00 0.00 H +HETATM 2257 C1 UFX A 189 16.226 12.024 30.666 1.00 0.00 C +HETATM 2258 C2 UFX A 189 16.858 12.645 31.924 1.00 0.00 C +HETATM 2259 C3 UFX A 189 15.915 13.654 32.597 1.00 0.00 C +HETATM 2260 O1 UFX A 189 15.602 14.720 31.704 1.00 0.00 O +HETATM 2261 H1 UFX A 189 15.273 11.553 30.908 1.00 0.00 H +HETATM 2262 H2 UFX A 189 16.057 12.785 29.904 1.00 0.00 H +HETATM 2263 H3 UFX A 189 16.885 11.261 30.250 1.00 0.00 H +HETATM 2264 H4 UFX A 189 17.094 11.851 32.634 1.00 0.00 H +HETATM 2265 H5 UFX A 189 17.795 13.138 31.663 1.00 0.00 H +HETATM 2266 H6 UFX A 189 16.387 14.057 33.494 1.00 0.00 H +HETATM 2267 H7 UFX A 189 14.998 13.154 32.908 1.00 0.00 H +HETATM 2268 H8 UFX A 189 16.395 15.245 31.464 1.00 0.00 H +HETATM 2269 C1 UFX A 190 18.108 9.850 13.410 1.00 0.00 C +HETATM 2270 C2 UFX A 190 19.517 9.622 13.981 1.00 0.00 C +HETATM 2271 C3 UFX A 190 19.734 10.407 15.285 1.00 0.00 C +HETATM 2272 O1 UFX A 190 19.759 11.810 15.020 1.00 0.00 O +HETATM 2273 H1 UFX A 190 17.356 9.449 14.090 1.00 0.00 H +HETATM 2274 H2 UFX A 190 17.919 10.912 13.256 1.00 0.00 H +HETATM 2275 H3 UFX A 190 18.002 9.344 12.450 1.00 0.00 H +HETATM 2276 H4 UFX A 190 19.656 8.558 14.173 1.00 0.00 H +HETATM 2277 H5 UFX A 190 20.265 9.920 13.246 1.00 0.00 H +HETATM 2278 H6 UFX A 190 20.683 10.110 15.733 1.00 0.00 H +HETATM 2279 H7 UFX A 190 18.945 10.170 15.998 1.00 0.00 H +HETATM 2280 H8 UFX A 190 20.492 12.041 14.410 1.00 0.00 H +HETATM 2281 C1 UFX A 191 7.983 24.521 8.479 1.00 0.00 C +HETATM 2282 C2 UFX A 191 8.499 25.717 9.289 1.00 0.00 C +HETATM 2283 C3 UFX A 191 8.520 25.422 10.792 1.00 0.00 C +HETATM 2284 O1 UFX A 191 7.200 25.161 11.261 1.00 0.00 O +HETATM 2285 H1 UFX A 191 8.610 23.645 8.642 1.00 0.00 H +HETATM 2286 H2 UFX A 191 6.959 24.276 8.762 1.00 0.00 H +HETATM 2287 H3 UFX A 191 7.996 24.763 7.416 1.00 0.00 H +HETATM 2288 H4 UFX A 191 9.509 25.961 8.960 1.00 0.00 H +HETATM 2289 H5 UFX A 191 7.872 26.588 9.098 1.00 0.00 H +HETATM 2290 H6 UFX A 191 8.930 26.279 11.326 1.00 0.00 H +HETATM 2291 H7 UFX A 191 9.166 24.566 10.993 1.00 0.00 H +HETATM 2292 H8 UFX A 191 6.617 25.941 11.139 1.00 0.00 H +HETATM 2293 C1 UFX A 192 25.793 14.177 19.513 1.00 0.00 C +HETATM 2294 C2 UFX A 192 26.694 13.640 18.389 1.00 0.00 C +HETATM 2295 C3 UFX A 192 26.468 12.141 18.130 1.00 0.00 C +HETATM 2296 O1 UFX A 192 26.762 11.392 19.313 1.00 0.00 O +HETATM 2297 H1 UFX A 192 24.742 14.070 19.244 1.00 0.00 H +HETATM 2298 H2 UFX A 192 25.975 13.641 20.444 1.00 0.00 H +HETATM 2299 H3 UFX A 192 26.001 15.233 19.686 1.00 0.00 H +HETATM 2300 H4 UFX A 192 26.503 14.197 17.471 1.00 0.00 H +HETATM 2301 H5 UFX A 192 27.739 13.813 18.650 1.00 0.00 H +HETATM 2302 H6 UFX A 192 27.117 11.812 17.318 1.00 0.00 H +HETATM 2303 H7 UFX A 192 25.440 11.967 17.811 1.00 0.00 H +HETATM 2304 H8 UFX A 192 27.674 11.580 19.623 1.00 0.00 H +HETATM 2305 C1 UFX A 193 26.520 22.513 27.457 1.00 0.00 C +HETATM 2306 C2 UFX A 193 27.941 23.018 27.162 1.00 0.00 C +HETATM 2307 C3 UFX A 193 27.946 24.428 26.550 1.00 0.00 C +HETATM 2308 O1 UFX A 193 27.279 24.439 25.290 1.00 0.00 O +HETATM 2309 H1 UFX A 193 25.987 23.221 28.092 1.00 0.00 H +HETATM 2310 H2 UFX A 193 25.961 22.376 26.530 1.00 0.00 H +HETATM 2311 H3 UFX A 193 26.562 21.553 27.971 1.00 0.00 H +HETATM 2312 H4 UFX A 193 28.511 23.038 28.090 1.00 0.00 H +HETATM 2313 H5 UFX A 193 28.443 22.325 26.486 1.00 0.00 H +HETATM 2314 H6 UFX A 193 28.977 24.754 26.414 1.00 0.00 H +HETATM 2315 H7 UFX A 193 27.466 25.134 27.227 1.00 0.00 H +HETATM 2316 H8 UFX A 193 27.448 25.274 24.804 1.00 0.00 H +HETATM 2317 C1 UFX A 194 0.216 15.591 28.838 1.00 0.00 C +HETATM 2318 C2 UFX A 194 1.341 16.595 28.539 1.00 0.00 C +HETATM 2319 C3 UFX A 194 2.729 15.988 28.782 1.00 0.00 C +HETATM 2320 O1 UFX A 194 2.872 15.590 30.143 1.00 0.00 O +HETATM 2321 H1 UFX A 194 0.343 14.687 28.242 1.00 0.00 H +HETATM 2322 H2 UFX A 194 0.218 15.312 29.892 1.00 0.00 H +HETATM 2323 H3 UFX A 194 -0.754 16.030 28.602 1.00 0.00 H +HETATM 2324 H4 UFX A 194 1.272 16.912 27.498 1.00 0.00 H +HETATM 2325 H5 UFX A 194 1.215 17.485 29.155 1.00 0.00 H +HETATM 2326 H6 UFX A 194 3.492 16.727 28.536 1.00 0.00 H +HETATM 2327 H7 UFX A 194 2.882 15.130 28.127 1.00 0.00 H +HETATM 2328 H8 UFX A 194 2.709 16.334 30.762 1.00 0.00 H +HETATM 2329 C1 UFX A 195 4.945 11.635 24.873 1.00 0.00 C +HETATM 2330 C2 UFX A 195 6.422 11.903 24.535 1.00 0.00 C +HETATM 2331 C3 UFX A 195 7.350 11.578 25.716 1.00 0.00 C +HETATM 2332 O1 UFX A 195 7.026 12.385 26.844 1.00 0.00 O +HETATM 2333 H1 UFX A 195 4.804 10.599 25.182 1.00 0.00 H +HETATM 2334 H2 UFX A 195 4.610 12.291 25.677 1.00 0.00 H +HETATM 2335 H3 UFX A 195 4.317 11.825 24.003 1.00 0.00 H +HETATM 2336 H4 UFX A 195 6.710 11.295 23.678 1.00 0.00 H +HETATM 2337 H5 UFX A 195 6.546 12.948 24.248 1.00 0.00 H +HETATM 2338 H6 UFX A 195 8.387 11.753 25.426 1.00 0.00 H +HETATM 2339 H7 UFX A 195 7.256 10.524 25.979 1.00 0.00 H +HETATM 2340 H8 UFX A 195 7.135 13.342 26.653 1.00 0.00 H +HETATM 2341 C1 UFX A 196 5.283 27.046 7.025 1.00 0.00 C +HETATM 2342 C2 UFX A 196 5.527 27.827 5.724 1.00 0.00 C +HETATM 2343 C3 UFX A 196 5.564 26.906 4.494 1.00 0.00 C +HETATM 2344 O1 UFX A 196 6.669 26.007 4.576 1.00 0.00 O +HETATM 2345 H1 UFX A 196 4.329 26.520 6.980 1.00 0.00 H +HETATM 2346 H2 UFX A 196 6.076 26.317 7.191 1.00 0.00 H +HETATM 2347 H3 UFX A 196 5.261 27.727 7.876 1.00 0.00 H +HETATM 2348 H4 UFX A 196 4.731 28.561 5.596 1.00 0.00 H +HETATM 2349 H5 UFX A 196 6.465 28.379 5.797 1.00 0.00 H +HETATM 2350 H6 UFX A 196 5.651 27.507 3.590 1.00 0.00 H +HETATM 2351 H7 UFX A 196 4.633 26.342 4.425 1.00 0.00 H +HETATM 2352 H8 UFX A 196 7.526 26.482 4.632 1.00 0.00 H +HETATM 2353 C1 UFX A 197 11.821 11.502 22.620 1.00 0.00 C +HETATM 2354 C2 UFX A 197 13.341 11.456 22.851 1.00 0.00 C +HETATM 2355 C3 UFX A 197 13.996 12.826 22.622 1.00 0.00 C +HETATM 2356 O1 UFX A 197 13.869 13.218 21.255 1.00 0.00 O +HETATM 2357 H1 UFX A 197 11.355 12.238 23.276 1.00 0.00 H +HETATM 2358 H2 UFX A 197 11.588 11.764 21.588 1.00 0.00 H +HETATM 2359 H3 UFX A 197 11.377 10.528 22.825 1.00 0.00 H +HETATM 2360 H4 UFX A 197 13.532 11.139 23.876 1.00 0.00 H +HETATM 2361 H5 UFX A 197 13.792 10.715 22.191 1.00 0.00 H +HETATM 2362 H6 UFX A 197 15.052 12.773 22.890 1.00 0.00 H +HETATM 2363 H7 UFX A 197 13.532 13.573 23.267 1.00 0.00 H +HETATM 2364 H8 UFX A 197 14.233 12.540 20.647 1.00 0.00 H +HETATM 2365 C1 UFX A 198 21.938 24.787 6.889 1.00 0.00 C +HETATM 2366 C2 UFX A 198 23.027 25.003 7.950 1.00 0.00 C +HETATM 2367 C3 UFX A 198 22.762 26.256 8.793 1.00 0.00 C +HETATM 2368 O1 UFX A 198 22.724 27.421 7.968 1.00 0.00 O +HETATM 2369 H1 UFX A 198 20.960 24.684 7.360 1.00 0.00 H +HETATM 2370 H2 UFX A 198 21.904 25.623 6.190 1.00 0.00 H +HETATM 2371 H3 UFX A 198 22.147 23.883 6.317 1.00 0.00 H +HETATM 2372 H4 UFX A 198 23.063 24.134 8.608 1.00 0.00 H +HETATM 2373 H5 UFX A 198 24.002 25.082 7.468 1.00 0.00 H +HETATM 2374 H6 UFX A 198 23.555 26.364 9.533 1.00 0.00 H +HETATM 2375 H7 UFX A 198 21.820 26.151 9.331 1.00 0.00 H +HETATM 2376 H8 UFX A 198 23.504 27.472 7.373 1.00 0.00 H +HETATM 2377 C1 UFX A 199 17.270 26.743 11.750 1.00 0.00 C +HETATM 2378 C2 UFX A 199 17.955 26.139 12.987 1.00 0.00 C +HETATM 2379 C3 UFX A 199 19.432 26.549 13.058 1.00 0.00 C +HETATM 2380 O1 UFX A 199 20.176 25.939 12.005 1.00 0.00 O +HETATM 2381 H1 UFX A 199 17.313 27.832 11.792 1.00 0.00 H +HETATM 2382 H2 UFX A 199 17.764 26.415 10.836 1.00 0.00 H +HETATM 2383 H3 UFX A 199 16.224 26.436 11.708 1.00 0.00 H +HETATM 2384 H4 UFX A 199 17.444 26.490 13.883 1.00 0.00 H +HETATM 2385 H5 UFX A 199 17.876 25.052 12.971 1.00 0.00 H +HETATM 2386 H6 UFX A 199 19.851 26.245 14.018 1.00 0.00 H +HETATM 2387 H7 UFX A 199 19.519 27.634 12.992 1.00 0.00 H +HETATM 2388 H8 UFX A 199 21.081 26.314 11.955 1.00 0.00 H +HETATM 2389 C1 UFX A 200 17.210 13.392 25.259 1.00 0.00 C +HETATM 2390 C2 UFX A 200 16.616 13.200 26.666 1.00 0.00 C +HETATM 2391 C3 UFX A 200 15.217 12.565 26.621 1.00 0.00 C +HETATM 2392 O1 UFX A 200 14.313 13.413 25.914 1.00 0.00 O +HETATM 2393 H1 UFX A 200 17.259 12.440 24.730 1.00 0.00 H +HETATM 2394 H2 UFX A 200 16.602 14.083 24.675 1.00 0.00 H +HETATM 2395 H3 UFX A 200 18.219 13.798 25.330 1.00 0.00 H +HETATM 2396 H4 UFX A 200 17.278 12.562 27.250 1.00 0.00 H +HETATM 2397 H5 UFX A 200 16.564 14.161 27.178 1.00 0.00 H +HETATM 2398 H6 UFX A 200 14.855 12.410 27.637 1.00 0.00 H +HETATM 2399 H7 UFX A 200 15.266 11.589 26.137 1.00 0.00 H +HETATM 2400 H8 UFX A 200 14.292 14.318 26.292 1.00 0.00 H +HETATM 2401 C1 UFX A 201 22.558 31.229 12.174 1.00 0.00 C +HETATM 2402 C2 UFX A 201 23.704 30.857 11.218 1.00 0.00 C +HETATM 2403 C3 UFX A 201 23.192 30.339 9.865 1.00 0.00 C +HETATM 2404 O1 UFX A 201 22.431 29.143 10.037 1.00 0.00 O +HETATM 2405 H1 UFX A 201 21.948 32.025 11.746 1.00 0.00 H +HETATM 2406 H2 UFX A 201 21.922 30.366 12.374 1.00 0.00 H +HETATM 2407 H3 UFX A 201 22.962 31.583 13.122 1.00 0.00 H +HETATM 2408 H4 UFX A 201 24.327 31.736 11.050 1.00 0.00 H +HETATM 2409 H5 UFX A 201 24.337 30.100 11.681 1.00 0.00 H +HETATM 2410 H6 UFX A 201 24.043 30.135 9.214 1.00 0.00 H +HETATM 2411 H7 UFX A 201 22.584 31.101 9.376 1.00 0.00 H +HETATM 2412 H8 UFX A 201 22.299 28.678 9.183 1.00 0.00 H +HETATM 2413 C1 UFX A 202 28.997 31.024 30.266 1.00 0.00 C +HETATM 2414 C2 UFX A 202 30.481 30.712 30.530 1.00 0.00 C +HETATM 2415 C3 UFX A 202 30.680 29.292 31.080 1.00 0.00 C +HETATM 2416 O1 UFX A 202 30.043 29.158 32.348 1.00 0.00 O +HETATM 2417 H1 UFX A 202 28.583 30.330 29.535 1.00 0.00 H +HETATM 2418 H2 UFX A 202 28.416 30.952 31.186 1.00 0.00 H +HETATM 2419 H3 UFX A 202 28.892 32.038 29.879 1.00 0.00 H +HETATM 2420 H4 UFX A 202 31.038 30.815 29.599 1.00 0.00 H +HETATM 2421 H5 UFX A 202 30.890 31.438 31.233 1.00 0.00 H +HETATM 2422 H6 UFX A 202 31.746 29.087 31.184 1.00 0.00 H +HETATM 2423 H7 UFX A 202 30.274 28.561 30.380 1.00 0.00 H +HETATM 2424 H8 UFX A 202 30.362 29.826 32.992 1.00 0.00 H +HETATM 2425 C1 UFX A 203 13.394 3.653 15.239 1.00 0.00 C +HETATM 2426 C2 UFX A 203 12.713 2.479 14.516 1.00 0.00 C +HETATM 2427 C3 UFX A 203 11.188 2.653 14.431 1.00 0.00 C +HETATM 2428 O1 UFX A 203 10.607 2.801 15.729 1.00 0.00 O +HETATM 2429 H1 UFX A 203 13.183 4.591 14.727 1.00 0.00 H +HETATM 2430 H2 UFX A 203 13.041 3.728 16.268 1.00 0.00 H +HETATM 2431 H3 UFX A 203 14.474 3.508 15.258 1.00 0.00 H +HETATM 2432 H4 UFX A 203 13.118 2.398 13.507 1.00 0.00 H +HETATM 2433 H5 UFX A 203 12.949 1.545 15.027 1.00 0.00 H +HETATM 2434 H6 UFX A 203 10.750 1.788 13.931 1.00 0.00 H +HETATM 2435 H7 UFX A 203 10.952 3.530 13.828 1.00 0.00 H +HETATM 2436 H8 UFX A 203 10.819 2.044 16.316 1.00 0.00 H +HETATM 2437 C1 UFX A 204 9.650 23.270 5.127 1.00 0.00 C +HETATM 2438 C2 UFX A 204 10.745 23.431 6.193 1.00 0.00 C +HETATM 2439 C3 UFX A 204 12.146 23.254 5.589 1.00 0.00 C +HETATM 2440 O1 UFX A 204 12.317 21.923 5.100 1.00 0.00 O +HETATM 2441 H1 UFX A 204 9.805 23.973 4.309 1.00 0.00 H +HETATM 2442 H2 UFX A 204 9.665 22.263 4.711 1.00 0.00 H +HETATM 2443 H3 UFX A 204 8.665 23.443 5.561 1.00 0.00 H +HETATM 2444 H4 UFX A 204 10.671 24.423 6.639 1.00 0.00 H +HETATM 2445 H5 UFX A 204 10.594 22.704 6.991 1.00 0.00 H +HETATM 2446 H6 UFX A 204 12.897 23.461 6.351 1.00 0.00 H +HETATM 2447 H7 UFX A 204 12.295 23.968 4.779 1.00 0.00 H +HETATM 2448 H8 UFX A 204 13.168 21.821 4.623 1.00 0.00 H +HETATM 2449 C1 UFX A 205 16.577 23.466 21.125 1.00 0.00 C +HETATM 2450 C2 UFX A 205 17.308 22.729 22.261 1.00 0.00 C +HETATM 2451 C3 UFX A 205 17.049 21.214 22.237 1.00 0.00 C +HETATM 2452 O1 UFX A 205 15.651 20.944 22.343 1.00 0.00 O +HETATM 2453 H1 UFX A 205 16.859 23.053 20.156 1.00 0.00 H +HETATM 2454 H2 UFX A 205 15.496 23.378 21.239 1.00 0.00 H +HETATM 2455 H3 UFX A 205 16.836 24.524 21.139 1.00 0.00 H +HETATM 2456 H4 UFX A 205 18.380 22.904 22.168 1.00 0.00 H +HETATM 2457 H5 UFX A 205 16.996 23.138 23.222 1.00 0.00 H +HETATM 2458 H6 UFX A 205 17.578 20.743 23.065 1.00 0.00 H +HETATM 2459 H7 UFX A 205 17.442 20.782 21.316 1.00 0.00 H +HETATM 2460 H8 UFX A 205 15.473 19.987 22.470 1.00 0.00 H +HETATM 2461 C1 UFX A 206 13.152 21.569 32.079 1.00 0.00 C +HETATM 2462 C2 UFX A 206 11.829 20.939 32.543 1.00 0.00 C +HETATM 2463 C3 UFX A 206 10.953 21.949 33.296 1.00 0.00 C +HETATM 2464 O1 UFX A 206 11.573 22.340 34.523 1.00 0.00 O +HETATM 2465 H1 UFX A 206 12.963 22.426 31.432 1.00 0.00 H +HETATM 2466 H2 UFX A 206 13.741 21.902 32.934 1.00 0.00 H +HETATM 2467 H3 UFX A 206 13.741 20.841 31.521 1.00 0.00 H +HETATM 2468 H4 UFX A 206 11.283 20.579 31.670 1.00 0.00 H +HETATM 2469 H5 UFX A 206 12.030 20.077 33.178 1.00 0.00 H +HETATM 2470 H6 UFX A 206 9.979 21.507 33.505 1.00 0.00 H +HETATM 2471 H7 UFX A 206 10.787 22.823 32.666 1.00 0.00 H +HETATM 2472 H8 UFX A 206 11.628 21.596 35.160 1.00 0.00 H +HETATM 2473 C1 UFX A 207 11.063 9.813 26.096 1.00 0.00 C +HETATM 2474 C2 UFX A 207 11.894 10.604 27.118 1.00 0.00 C +HETATM 2475 C3 UFX A 207 11.407 12.053 27.225 1.00 0.00 C +HETATM 2476 O1 UFX A 207 11.674 12.759 26.016 1.00 0.00 O +HETATM 2477 H1 UFX A 207 10.010 9.816 26.379 1.00 0.00 H +HETATM 2478 H2 UFX A 207 11.155 10.257 25.105 1.00 0.00 H +HETATM 2479 H3 UFX A 207 11.405 8.779 26.042 1.00 0.00 H +HETATM 2480 H4 UFX A 207 11.802 10.132 28.096 1.00 0.00 H +HETATM 2481 H5 UFX A 207 12.948 10.582 26.841 1.00 0.00 H +HETATM 2482 H6 UFX A 207 11.907 12.550 28.056 1.00 0.00 H +HETATM 2483 H7 UFX A 207 10.337 12.062 27.431 1.00 0.00 H +HETATM 2484 H8 UFX A 207 12.636 12.847 25.845 1.00 0.00 H +HETATM 2485 C1 UFX A 208 11.801 27.386 10.950 1.00 0.00 C +HETATM 2486 C2 UFX A 208 12.033 26.475 12.168 1.00 0.00 C +HETATM 2487 C3 UFX A 208 12.347 27.285 13.432 1.00 0.00 C +HETATM 2488 O1 UFX A 208 13.629 27.902 13.309 1.00 0.00 O +HETATM 2489 H1 UFX A 208 10.966 28.062 11.131 1.00 0.00 H +HETATM 2490 H2 UFX A 208 12.689 27.982 10.738 1.00 0.00 H +HETATM 2491 H3 UFX A 208 11.573 26.788 10.068 1.00 0.00 H +HETATM 2492 H4 UFX A 208 11.137 25.878 12.339 1.00 0.00 H +HETATM 2493 H5 UFX A 208 12.848 25.780 11.966 1.00 0.00 H +HETATM 2494 H6 UFX A 208 12.340 26.626 14.300 1.00 0.00 H +HETATM 2495 H7 UFX A 208 11.580 28.043 13.588 1.00 0.00 H +HETATM 2496 H8 UFX A 208 14.346 27.236 13.240 1.00 0.00 H +HETATM 2497 C1 UFX A 209 12.952 29.202 16.494 1.00 0.00 C +HETATM 2498 C2 UFX A 209 14.159 29.914 17.127 1.00 0.00 C +HETATM 2499 C3 UFX A 209 13.880 31.403 17.378 1.00 0.00 C +HETATM 2500 O1 UFX A 209 13.661 32.082 16.144 1.00 0.00 O +HETATM 2501 H1 UFX A 209 12.074 29.288 17.135 1.00 0.00 H +HETATM 2502 H2 UFX A 209 12.717 29.634 15.521 1.00 0.00 H +HETATM 2503 H3 UFX A 209 13.172 28.144 16.352 1.00 0.00 H +HETATM 2504 H4 UFX A 209 14.401 29.431 18.074 1.00 0.00 H +HETATM 2505 H5 UFX A 209 15.030 29.806 16.479 1.00 0.00 H +HETATM 2506 H6 UFX A 209 14.730 31.851 17.893 1.00 0.00 H +HETATM 2507 H7 UFX A 209 13.007 31.514 18.021 1.00 0.00 H +HETATM 2508 H8 UFX A 209 14.426 31.988 15.537 1.00 0.00 H +HETATM 2509 C1 UFX A 210 31.682 24.153 16.412 1.00 0.00 C +HETATM 2510 C2 UFX A 210 32.142 25.615 16.554 1.00 0.00 C +HETATM 2511 C3 UFX A 210 30.954 26.582 16.644 1.00 0.00 C +HETATM 2512 O1 UFX A 210 30.170 26.527 15.455 1.00 0.00 O +HETATM 2513 H1 UFX A 210 31.060 23.863 17.259 1.00 0.00 H +HETATM 2514 H2 UFX A 210 31.107 24.016 15.495 1.00 0.00 H +HETATM 2515 H3 UFX A 210 32.546 23.489 16.376 1.00 0.00 H +HETATM 2516 H4 UFX A 210 32.749 25.712 17.455 1.00 0.00 H +HETATM 2517 H5 UFX A 210 32.775 25.888 15.710 1.00 0.00 H +HETATM 2518 H6 UFX A 210 31.321 27.598 16.792 1.00 0.00 H +HETATM 2519 H7 UFX A 210 30.337 26.324 17.505 1.00 0.00 H +HETATM 2520 H8 UFX A 210 30.693 26.770 14.661 1.00 0.00 H +HETATM 2521 C1 UFX A 211 4.527 9.535 12.311 1.00 0.00 C +HETATM 2522 C2 UFX A 211 5.955 9.219 12.784 1.00 0.00 C +HETATM 2523 C3 UFX A 211 6.128 7.732 13.127 1.00 0.00 C +HETATM 2524 O1 UFX A 211 5.314 7.388 14.246 1.00 0.00 O +HETATM 2525 H1 UFX A 211 4.273 8.929 11.441 1.00 0.00 H +HETATM 2526 H2 UFX A 211 3.807 9.335 13.104 1.00 0.00 H +HETATM 2527 H3 UFX A 211 4.448 10.587 12.034 1.00 0.00 H +HETATM 2528 H4 UFX A 211 6.658 9.487 11.995 1.00 0.00 H +HETATM 2529 H5 UFX A 211 6.196 9.827 13.656 1.00 0.00 H +HETATM 2530 H6 UFX A 211 7.174 7.529 13.357 1.00 0.00 H +HETATM 2531 H7 UFX A 211 5.860 7.119 12.266 1.00 0.00 H +HETATM 2532 H8 UFX A 211 5.584 7.872 15.056 1.00 0.00 H +HETATM 2533 C1 UFX A 212 25.200 26.929 5.267 1.00 0.00 C +HETATM 2534 C2 UFX A 212 25.706 25.712 4.475 1.00 0.00 C +HETATM 2535 C3 UFX A 212 24.705 25.280 3.391 1.00 0.00 C +HETATM 2536 O1 UFX A 212 23.517 24.742 3.976 1.00 0.00 O +HETATM 2537 H1 UFX A 212 25.079 27.790 4.609 1.00 0.00 H +HETATM 2538 H2 UFX A 212 24.237 26.711 5.728 1.00 0.00 H +HETATM 2539 H3 UFX A 212 25.908 27.193 6.053 1.00 0.00 H +HETATM 2540 H4 UFX A 212 26.656 25.965 4.004 1.00 0.00 H +HETATM 2541 H5 UFX A 212 25.889 24.878 5.152 1.00 0.00 H +HETATM 2542 H6 UFX A 212 25.163 24.529 2.747 1.00 0.00 H +HETATM 2543 H7 UFX A 212 24.453 26.136 2.763 1.00 0.00 H +HETATM 2544 H8 UFX A 212 23.671 23.875 4.407 1.00 0.00 H +HETATM 2545 C1 UFX A 213 18.830 32.054 11.480 1.00 0.00 C +HETATM 2546 C2 UFX A 213 19.304 31.660 10.070 1.00 0.00 C +HETATM 2547 C3 UFX A 213 19.033 30.178 9.771 1.00 0.00 C +HETATM 2548 O1 UFX A 213 19.753 29.346 10.677 1.00 0.00 O +HETATM 2549 H1 UFX A 213 17.757 31.888 11.582 1.00 0.00 H +HETATM 2550 H2 UFX A 213 19.346 31.465 12.239 1.00 0.00 H +HETATM 2551 H3 UFX A 213 19.039 33.107 11.668 1.00 0.00 H +HETATM 2552 H4 UFX A 213 18.783 32.272 9.333 1.00 0.00 H +HETATM 2553 H5 UFX A 213 20.369 31.865 9.967 1.00 0.00 H +HETATM 2554 H6 UFX A 213 19.327 29.947 8.747 1.00 0.00 H +HETATM 2555 H7 UFX A 213 17.965 29.978 9.860 1.00 0.00 H +HETATM 2556 H8 UFX A 213 20.722 29.401 10.532 1.00 0.00 H +HETATM 2557 C1 UFX A 214 23.420 28.237 28.464 1.00 0.00 C +HETATM 2558 C2 UFX A 214 24.299 28.845 27.357 1.00 0.00 C +HETATM 2559 C3 UFX A 214 25.695 29.213 27.877 1.00 0.00 C +HETATM 2560 O1 UFX A 214 25.608 30.185 28.918 1.00 0.00 O +HETATM 2561 H1 UFX A 214 23.895 27.352 28.888 1.00 0.00 H +HETATM 2562 H2 UFX A 214 23.252 28.958 29.265 1.00 0.00 H +HETATM 2563 H3 UFX A 214 22.451 27.944 28.060 1.00 0.00 H +HETATM 2564 H4 UFX A 214 24.402 28.127 26.543 1.00 0.00 H +HETATM 2565 H5 UFX A 214 23.816 29.729 26.941 1.00 0.00 H +HETATM 2566 H6 UFX A 214 26.292 29.618 27.060 1.00 0.00 H +HETATM 2567 H7 UFX A 214 26.197 28.317 28.242 1.00 0.00 H +HETATM 2568 H8 UFX A 214 25.275 31.043 28.578 1.00 0.00 H +HETATM 2569 C1 UFX A 215 23.080 11.949 7.153 1.00 0.00 C +HETATM 2570 C2 UFX A 215 23.871 10.758 7.714 1.00 0.00 C +HETATM 2571 C3 UFX A 215 25.334 11.134 7.988 1.00 0.00 C +HETATM 2572 O1 UFX A 215 26.008 11.428 6.763 1.00 0.00 O +HETATM 2573 H1 UFX A 215 23.090 12.781 7.858 1.00 0.00 H +HETATM 2574 H2 UFX A 215 23.514 12.286 6.211 1.00 0.00 H +HETATM 2575 H3 UFX A 215 22.044 11.662 6.973 1.00 0.00 H +HETATM 2576 H4 UFX A 215 23.405 10.425 8.641 1.00 0.00 H +HETATM 2577 H5 UFX A 215 23.828 9.924 7.013 1.00 0.00 H +HETATM 2578 H6 UFX A 215 25.837 10.308 8.492 1.00 0.00 H +HETATM 2579 H7 UFX A 215 25.377 11.997 8.652 1.00 0.00 H +HETATM 2580 H8 UFX A 215 26.077 10.639 6.184 1.00 0.00 H +HETATM 2581 C1 UFX A 216 11.379 18.700 8.192 1.00 0.00 C +HETATM 2582 C2 UFX A 216 12.363 18.592 7.018 1.00 0.00 C +HETATM 2583 C3 UFX A 216 13.604 19.465 7.231 1.00 0.00 C +HETATM 2584 O1 UFX A 216 13.227 20.831 7.390 1.00 0.00 O +HETATM 2585 H1 UFX A 216 11.862 18.407 9.124 1.00 0.00 H +HETATM 2586 H2 UFX A 216 11.014 19.722 8.295 1.00 0.00 H +HETATM 2587 H3 UFX A 216 10.526 18.044 8.021 1.00 0.00 H +HETATM 2588 H4 UFX A 216 12.672 17.552 6.902 1.00 0.00 H +HETATM 2589 H5 UFX A 216 11.864 18.887 6.095 1.00 0.00 H +HETATM 2590 H6 UFX A 216 14.268 19.365 6.372 1.00 0.00 H +HETATM 2591 H7 UFX A 216 14.150 19.129 8.112 1.00 0.00 H +HETATM 2592 H8 UFX A 216 12.770 21.175 6.593 1.00 0.00 H +HETATM 2593 C1 UFX A 217 20.975 9.624 30.951 1.00 0.00 C +HETATM 2594 C2 UFX A 217 20.200 10.889 30.559 1.00 0.00 C +HETATM 2595 C3 UFX A 217 19.589 10.772 29.154 1.00 0.00 C +HETATM 2596 O1 UFX A 217 20.616 10.730 28.166 1.00 0.00 O +HETATM 2597 H1 UFX A 217 20.319 8.754 30.927 1.00 0.00 H +HETATM 2598 H2 UFX A 217 21.805 9.458 30.264 1.00 0.00 H +HETATM 2599 H3 UFX A 217 21.381 9.723 31.958 1.00 0.00 H +HETATM 2600 H4 UFX A 217 19.404 11.056 31.285 1.00 0.00 H +HETATM 2601 H5 UFX A 217 20.864 11.752 30.604 1.00 0.00 H +HETATM 2602 H6 UFX A 217 18.946 11.631 28.962 1.00 0.00 H +HETATM 2603 H7 UFX A 217 18.971 9.876 29.087 1.00 0.00 H +HETATM 2604 H8 UFX A 217 21.208 11.510 28.226 1.00 0.00 H +HETATM 2605 C1 UFX A 218 30.485 11.836 31.174 1.00 0.00 C +HETATM 2606 C2 UFX A 218 29.610 10.814 30.431 1.00 0.00 C +HETATM 2607 C3 UFX A 218 30.119 10.561 29.003 1.00 0.00 C +HETATM 2608 O1 UFX A 218 29.975 11.739 28.214 1.00 0.00 O +HETATM 2609 H1 UFX A 218 31.516 11.486 31.230 1.00 0.00 H +HETATM 2610 H2 UFX A 218 30.471 12.798 30.662 1.00 0.00 H +HETATM 2611 H3 UFX A 218 30.114 11.981 32.189 1.00 0.00 H +HETATM 2612 H4 UFX A 218 29.610 9.873 30.982 1.00 0.00 H +HETATM 2613 H5 UFX A 218 28.580 11.169 30.396 1.00 0.00 H +HETATM 2614 H6 UFX A 218 29.549 9.749 28.552 1.00 0.00 H +HETATM 2615 H7 UFX A 218 31.165 10.255 29.029 1.00 0.00 H +HETATM 2616 H8 UFX A 218 29.032 11.989 28.111 1.00 0.00 H +HETATM 2617 C1 UFX A 219 2.395 13.058 21.428 1.00 0.00 C +HETATM 2618 C2 UFX A 219 3.095 14.428 21.387 1.00 0.00 C +HETATM 2619 C3 UFX A 219 3.922 14.687 22.656 1.00 0.00 C +HETATM 2620 O1 UFX A 219 3.082 14.668 23.808 1.00 0.00 O +HETATM 2621 H1 UFX A 219 3.129 12.258 21.531 1.00 0.00 H +HETATM 2622 H2 UFX A 219 1.706 13.002 22.270 1.00 0.00 H +HETATM 2623 H3 UFX A 219 1.825 12.896 20.513 1.00 0.00 H +HETATM 2624 H4 UFX A 219 3.752 14.472 20.518 1.00 0.00 H +HETATM 2625 H5 UFX A 219 2.351 15.216 21.270 1.00 0.00 H +HETATM 2626 H6 UFX A 219 4.417 15.655 22.580 1.00 0.00 H +HETATM 2627 H7 UFX A 219 4.700 13.929 22.753 1.00 0.00 H +HETATM 2628 H8 UFX A 219 2.347 15.314 23.741 1.00 0.00 H +HETATM 2629 C1 UFX A 220 23.123 19.900 26.287 1.00 0.00 C +HETATM 2630 C2 UFX A 220 23.407 19.111 27.573 1.00 0.00 C +HETATM 2631 C3 UFX A 220 24.064 17.756 27.279 1.00 0.00 C +HETATM 2632 O1 UFX A 220 23.181 16.925 26.531 1.00 0.00 O +HETATM 2633 H1 UFX A 220 24.056 20.139 25.777 1.00 0.00 H +HETATM 2634 H2 UFX A 220 22.491 19.329 25.606 1.00 0.00 H +HETATM 2635 H3 UFX A 220 22.611 20.833 26.527 1.00 0.00 H +HETATM 2636 H4 UFX A 220 24.068 19.698 28.211 1.00 0.00 H +HETATM 2637 H5 UFX A 220 22.479 18.954 28.124 1.00 0.00 H +HETATM 2638 H6 UFX A 220 24.320 17.265 28.218 1.00 0.00 H +HETATM 2639 H7 UFX A 220 24.991 17.904 26.726 1.00 0.00 H +HETATM 2640 H8 UFX A 220 22.244 17.035 26.803 1.00 0.00 H +HETATM 2641 C1 UFX A 221 5.253 16.145 8.692 1.00 0.00 C +HETATM 2642 C2 UFX A 221 5.823 17.505 8.257 1.00 0.00 C +HETATM 2643 C3 UFX A 221 7.191 17.359 7.577 1.00 0.00 C +HETATM 2644 O1 UFX A 221 8.140 16.821 8.495 1.00 0.00 O +HETATM 2645 H1 UFX A 221 5.142 15.489 7.828 1.00 0.00 H +HETATM 2646 H2 UFX A 221 5.910 15.664 9.417 1.00 0.00 H +HETATM 2647 H3 UFX A 221 4.273 16.277 9.151 1.00 0.00 H +HETATM 2648 H4 UFX A 221 5.130 17.970 7.556 1.00 0.00 H +HETATM 2649 H5 UFX A 221 5.908 18.165 9.120 1.00 0.00 H +HETATM 2650 H6 UFX A 221 7.530 18.336 7.232 1.00 0.00 H +HETATM 2651 H7 UFX A 221 7.102 16.715 6.702 1.00 0.00 H +HETATM 2652 H8 UFX A 221 8.216 17.382 9.297 1.00 0.00 H +HETATM 2653 C1 UFX A 222 1.850 22.549 3.880 1.00 0.00 C +HETATM 2654 C2 UFX A 222 3.162 22.749 3.102 1.00 0.00 C +HETATM 2655 C3 UFX A 222 3.796 21.412 2.687 1.00 0.00 C +HETATM 2656 O1 UFX A 222 4.065 20.605 3.830 1.00 0.00 O +HETATM 2657 H1 UFX A 222 1.141 21.968 3.290 1.00 0.00 H +HETATM 2658 H2 UFX A 222 2.033 22.026 4.819 1.00 0.00 H +HETATM 2659 H3 UFX A 222 1.398 23.515 4.108 1.00 0.00 H +HETATM 2660 H4 UFX A 222 2.958 23.336 2.206 1.00 0.00 H +HETATM 2661 H5 UFX A 222 3.866 23.320 3.707 1.00 0.00 H +HETATM 2662 H6 UFX A 222 4.723 21.599 2.145 1.00 0.00 H +HETATM 2663 H7 UFX A 222 3.124 20.879 2.015 1.00 0.00 H +HETATM 2664 H8 UFX A 222 4.711 21.027 4.435 1.00 0.00 H +HETATM 2665 C1 UFX A 223 26.305 6.137 31.833 1.00 0.00 C +HETATM 2666 C2 UFX A 223 27.625 6.009 31.055 1.00 0.00 C +HETATM 2667 C3 UFX A 223 28.672 5.213 31.848 1.00 0.00 C +HETATM 2668 O1 UFX A 223 29.038 5.926 33.028 1.00 0.00 O +HETATM 2669 H1 UFX A 223 25.914 5.151 32.086 1.00 0.00 H +HETATM 2670 H2 UFX A 223 26.453 6.700 32.755 1.00 0.00 H +HETATM 2671 H3 UFX A 223 25.561 6.656 31.228 1.00 0.00 H +HETATM 2672 H4 UFX A 223 27.434 5.501 30.110 1.00 0.00 H +HETATM 2673 H5 UFX A 223 28.014 6.999 30.816 1.00 0.00 H +HETATM 2674 H6 UFX A 223 29.554 5.053 31.228 1.00 0.00 H +HETATM 2675 H7 UFX A 223 28.276 4.232 32.111 1.00 0.00 H +HETATM 2676 H8 UFX A 223 29.342 6.837 32.825 1.00 0.00 H +HETATM 2677 C1 UFX A 224 12.109 20.793 22.728 1.00 0.00 C +HETATM 2678 C2 UFX A 224 12.370 22.265 22.357 1.00 0.00 C +HETATM 2679 C3 UFX A 224 11.358 23.222 22.985 1.00 0.00 C +HETATM 2680 O1 UFX A 224 10.063 22.966 22.443 1.00 0.00 O +HETATM 2681 H1 UFX A 224 12.225 20.643 23.802 1.00 0.00 H +HETATM 2682 H2 UFX A 224 11.106 20.487 22.432 1.00 0.00 H +HETATM 2683 H3 UFX A 224 12.824 20.145 22.220 1.00 0.00 H +HETATM 2684 H4 UFX A 224 13.374 22.542 22.679 1.00 0.00 H +HETATM 2685 H5 UFX A 224 12.334 22.383 21.274 1.00 0.00 H +HETATM 2686 H6 UFX A 224 11.652 24.248 22.763 1.00 0.00 H +HETATM 2687 H7 UFX A 224 11.349 23.111 24.070 1.00 0.00 H +HETATM 2688 H8 UFX A 224 10.071 23.028 21.464 1.00 0.00 H +HETATM 2689 C1 UFX A 225 33.121 12.997 26.668 1.00 0.00 C +HETATM 2690 C2 UFX A 225 34.044 13.702 25.657 1.00 0.00 C +HETATM 2691 C3 UFX A 225 34.045 12.998 24.292 1.00 0.00 C +HETATM 2692 O1 UFX A 225 34.563 11.676 24.415 1.00 0.00 O +HETATM 2693 H1 UFX A 225 32.094 12.978 26.302 1.00 0.00 H +HETATM 2694 H2 UFX A 225 33.448 11.972 26.844 1.00 0.00 H +HETATM 2695 H3 UFX A 225 33.130 13.524 27.622 1.00 0.00 H +HETATM 2696 H4 UFX A 225 33.711 14.732 25.529 1.00 0.00 H +HETATM 2697 H5 UFX A 225 35.061 13.736 26.048 1.00 0.00 H +HETATM 2698 H6 UFX A 225 34.659 13.566 23.592 1.00 0.00 H +HETATM 2699 H7 UFX A 225 33.032 12.963 23.891 1.00 0.00 H +HETATM 2700 H8 UFX A 225 35.468 11.669 24.794 1.00 0.00 H +HETATM 2701 C1 UFX A 226 21.877 14.782 4.935 1.00 0.00 C +HETATM 2702 C2 UFX A 226 22.054 15.624 6.210 1.00 0.00 C +HETATM 2703 C3 UFX A 226 22.067 17.124 5.889 1.00 0.00 C +HETATM 2704 O1 UFX A 226 23.229 17.458 5.137 1.00 0.00 O +HETATM 2705 H1 UFX A 226 20.968 15.074 4.408 1.00 0.00 H +HETATM 2706 H2 UFX A 226 22.727 14.916 4.266 1.00 0.00 H +HETATM 2707 H3 UFX A 226 21.799 13.724 5.187 1.00 0.00 H +HETATM 2708 H4 UFX A 226 21.231 15.415 6.895 1.00 0.00 H +HETATM 2709 H5 UFX A 226 22.976 15.343 6.719 1.00 0.00 H +HETATM 2710 H6 UFX A 226 22.059 17.699 6.816 1.00 0.00 H +HETATM 2711 H7 UFX A 226 21.171 17.390 5.329 1.00 0.00 H +HETATM 2712 H8 UFX A 226 24.037 17.430 5.692 1.00 0.00 H +HETATM 2713 C1 UFX A 227 10.040 23.196 28.842 1.00 0.00 C +HETATM 2714 C2 UFX A 227 8.640 23.554 28.321 1.00 0.00 C +HETATM 2715 C3 UFX A 227 8.632 24.877 27.544 1.00 0.00 C +HETATM 2716 O1 UFX A 227 8.834 25.973 28.435 1.00 0.00 O +HETATM 2717 H1 UFX A 227 10.737 23.073 28.013 1.00 0.00 H +HETATM 2718 H2 UFX A 227 10.418 23.979 29.499 1.00 0.00 H +HETATM 2719 H3 UFX A 227 10.006 22.262 29.405 1.00 0.00 H +HETATM 2720 H4 UFX A 227 8.281 22.754 27.673 1.00 0.00 H +HETATM 2721 H5 UFX A 227 7.942 23.625 29.155 1.00 0.00 H +HETATM 2722 H6 UFX A 227 7.668 24.989 27.048 1.00 0.00 H +HETATM 2723 H7 UFX A 227 9.400 24.869 26.770 1.00 0.00 H +HETATM 2724 H8 UFX A 227 8.571 26.828 28.032 1.00 0.00 H +HETATM 2725 C1 UFX A 228 2.472 24.995 9.157 1.00 0.00 C +HETATM 2726 C2 UFX A 228 2.135 24.346 7.805 1.00 0.00 C +HETATM 2727 C3 UFX A 228 0.821 24.882 7.221 1.00 0.00 C +HETATM 2728 O1 UFX A 228 -0.269 24.584 8.090 1.00 0.00 O +HETATM 2729 H1 UFX A 228 2.553 26.077 9.051 1.00 0.00 H +HETATM 2730 H2 UFX A 228 1.703 24.776 9.897 1.00 0.00 H +HETATM 2731 H3 UFX A 228 3.423 24.612 9.530 1.00 0.00 H +HETATM 2732 H4 UFX A 228 2.943 24.546 7.101 1.00 0.00 H +HETATM 2733 H5 UFX A 228 2.072 23.264 7.922 1.00 0.00 H +HETATM 2734 H6 UFX A 228 0.644 24.430 6.245 1.00 0.00 H +HETATM 2735 H7 UFX A 228 0.894 25.960 7.076 1.00 0.00 H +HETATM 2736 H8 UFX A 228 -0.363 23.619 8.243 1.00 0.00 H +HETATM 2737 C1 UFX A 229 13.999 1.445 1.577 1.00 0.00 C +HETATM 2738 C2 UFX A 229 14.294 2.036 0.186 1.00 0.00 C +HETATM 2739 C3 UFX A 229 15.803 2.121 -0.092 1.00 0.00 C +HETATM 2740 O1 UFX A 229 16.434 2.982 0.854 1.00 0.00 O +HETATM 2741 H1 UFX A 229 14.439 0.452 1.671 1.00 0.00 H +HETATM 2742 H2 UFX A 229 14.408 2.082 2.361 1.00 0.00 H +HETATM 2743 H3 UFX A 229 12.923 1.362 1.730 1.00 0.00 H +HETATM 2744 H4 UFX A 229 13.828 1.409 -0.574 1.00 0.00 H +HETATM 2745 H5 UFX A 229 13.849 3.028 0.105 1.00 0.00 H +HETATM 2746 H6 UFX A 229 15.967 2.498 -1.102 1.00 0.00 H +HETATM 2747 H7 UFX A 229 16.247 1.126 -0.040 1.00 0.00 H +HETATM 2748 H8 UFX A 229 16.084 3.897 0.812 1.00 0.00 H +HETATM 2749 C1 UFX A 230 12.256 28.862 20.363 1.00 0.00 C +HETATM 2750 C2 UFX A 230 11.246 30.015 20.476 1.00 0.00 C +HETATM 2751 C3 UFX A 230 9.799 29.513 20.365 1.00 0.00 C +HETATM 2752 O1 UFX A 230 9.546 29.011 19.053 1.00 0.00 O +HETATM 2753 H1 UFX A 230 12.090 28.131 21.154 1.00 0.00 H +HETATM 2754 H2 UFX A 230 12.161 28.359 19.400 1.00 0.00 H +HETATM 2755 H3 UFX A 230 13.274 29.240 20.451 1.00 0.00 H +HETATM 2756 H4 UFX A 230 11.377 30.511 21.438 1.00 0.00 H +HETATM 2757 H5 UFX A 230 11.438 30.756 19.699 1.00 0.00 H +HETATM 2758 H6 UFX A 230 9.110 30.331 20.578 1.00 0.00 H +HETATM 2759 H7 UFX A 230 9.618 28.735 21.107 1.00 0.00 H +HETATM 2760 H8 UFX A 230 9.629 29.722 18.381 1.00 0.00 H +HETATM 2761 C1 UFX A 231 6.126 5.728 9.256 1.00 0.00 C +HETATM 2762 C2 UFX A 231 6.978 6.462 8.209 1.00 0.00 C +HETATM 2763 C3 UFX A 231 8.056 7.337 8.862 1.00 0.00 C +HETATM 2764 O1 UFX A 231 7.454 8.364 9.652 1.00 0.00 O +HETATM 2765 H1 UFX A 231 6.755 5.101 9.887 1.00 0.00 H +HETATM 2766 H2 UFX A 231 5.596 6.440 9.888 1.00 0.00 H +HETATM 2767 H3 UFX A 231 5.391 5.093 8.760 1.00 0.00 H +HETATM 2768 H4 UFX A 231 7.461 5.728 7.564 1.00 0.00 H +HETATM 2769 H5 UFX A 231 6.338 7.076 7.574 1.00 0.00 H +HETATM 2770 H6 UFX A 231 8.678 7.787 8.087 1.00 0.00 H +HETATM 2771 H7 UFX A 231 8.705 6.721 9.485 1.00 0.00 H +HETATM 2772 H8 UFX A 231 6.801 8.882 9.135 1.00 0.00 H +HETATM 2773 C1 UFX A 232 20.084 5.713 16.240 1.00 0.00 C +HETATM 2774 C2 UFX A 232 19.029 5.416 17.316 1.00 0.00 C +HETATM 2775 C3 UFX A 232 18.564 3.948 17.282 1.00 0.00 C +HETATM 2776 O1 UFX A 232 17.875 3.671 16.061 1.00 0.00 O +HETATM 2777 H1 UFX A 232 20.960 5.081 16.384 1.00 0.00 H +HETATM 2778 H2 UFX A 232 19.681 5.532 15.243 1.00 0.00 H +HETATM 2779 H3 UFX A 232 20.397 6.755 16.300 1.00 0.00 H +HETATM 2780 H4 UFX A 232 19.453 5.631 18.297 1.00 0.00 H +HETATM 2781 H5 UFX A 232 18.175 6.082 17.187 1.00 0.00 H +HETATM 2782 H6 UFX A 232 17.896 3.755 18.122 1.00 0.00 H +HETATM 2783 H7 UFX A 232 19.421 3.283 17.387 1.00 0.00 H +HETATM 2784 H8 UFX A 232 17.125 4.287 15.921 1.00 0.00 H +HETATM 2785 C1 UFX A 233 18.780 3.017 32.826 1.00 0.00 C +HETATM 2786 C2 UFX A 233 19.016 2.177 31.560 1.00 0.00 C +HETATM 2787 C3 UFX A 233 17.735 1.463 31.100 1.00 0.00 C +HETATM 2788 O1 UFX A 233 17.280 0.565 32.110 1.00 0.00 O +HETATM 2789 H1 UFX A 233 17.961 3.720 32.675 1.00 0.00 H +HETATM 2790 H2 UFX A 233 18.537 2.376 33.674 1.00 0.00 H +HETATM 2791 H3 UFX A 233 19.678 3.583 33.076 1.00 0.00 H +HETATM 2792 H4 UFX A 233 19.366 2.828 30.759 1.00 0.00 H +HETATM 2793 H5 UFX A 233 19.803 1.444 31.743 1.00 0.00 H +HETATM 2794 H6 UFX A 233 17.933 0.912 30.181 1.00 0.00 H +HETATM 2795 H7 UFX A 233 16.960 2.198 30.881 1.00 0.00 H +HETATM 2796 H8 UFX A 233 17.965 -0.100 32.336 1.00 0.00 H +HETATM 2797 C1 UFX A 234 9.694 19.885 18.394 1.00 0.00 C +HETATM 2798 C2 UFX A 234 10.009 21.240 19.053 1.00 0.00 C +HETATM 2799 C3 UFX A 234 8.725 22.005 19.410 1.00 0.00 C +HETATM 2800 O1 UFX A 234 7.962 22.261 18.239 1.00 0.00 O +HETATM 2801 H1 UFX A 234 9.071 19.278 19.051 1.00 0.00 H +HETATM 2802 H2 UFX A 234 9.161 20.027 17.453 1.00 0.00 H +HETATM 2803 H3 UFX A 234 10.614 19.339 18.187 1.00 0.00 H +HETATM 2804 H4 UFX A 234 10.592 21.070 19.958 1.00 0.00 H +HETATM 2805 H5 UFX A 234 10.619 21.845 18.382 1.00 0.00 H +HETATM 2806 H6 UFX A 234 8.978 22.952 19.888 1.00 0.00 H +HETATM 2807 H7 UFX A 234 8.133 21.427 20.120 1.00 0.00 H +HETATM 2808 H8 UFX A 234 8.442 22.848 17.617 1.00 0.00 H +HETATM 2809 C1 UFX A 235 10.754 17.249 20.601 1.00 0.00 C +HETATM 2810 C2 UFX A 235 11.699 16.434 19.707 1.00 0.00 C +HETATM 2811 C3 UFX A 235 11.254 14.969 19.619 1.00 0.00 C +HETATM 2812 O1 UFX A 235 11.398 14.327 20.883 1.00 0.00 O +HETATM 2813 H1 UFX A 235 9.742 17.227 20.195 1.00 0.00 H +HETATM 2814 H2 UFX A 235 10.729 16.841 21.612 1.00 0.00 H +HETATM 2815 H3 UFX A 235 11.085 18.286 20.655 1.00 0.00 H +HETATM 2816 H4 UFX A 235 11.699 16.869 18.707 1.00 0.00 H +HETATM 2817 H5 UFX A 235 12.717 16.487 20.092 1.00 0.00 H +HETATM 2818 H6 UFX A 235 11.853 14.449 18.872 1.00 0.00 H +HETATM 2819 H7 UFX A 235 10.213 14.918 19.298 1.00 0.00 H +HETATM 2820 H8 UFX A 235 12.334 14.118 21.089 1.00 0.00 H +HETATM 2821 C1 UFX A 236 16.866 4.277 12.817 1.00 0.00 C +HETATM 2822 C2 UFX A 236 16.502 5.738 13.129 1.00 0.00 C +HETATM 2823 C3 UFX A 236 15.237 6.175 12.377 1.00 0.00 C +HETATM 2824 O1 UFX A 236 15.461 6.144 10.968 1.00 0.00 O +HETATM 2825 H1 UFX A 236 16.048 3.614 13.098 1.00 0.00 H +HETATM 2826 H2 UFX A 236 17.066 4.144 11.753 1.00 0.00 H +HETATM 2827 H3 UFX A 236 17.759 3.985 13.370 1.00 0.00 H +HETATM 2828 H4 UFX A 236 16.331 5.843 14.200 1.00 0.00 H +HETATM 2829 H5 UFX A 236 17.334 6.393 12.868 1.00 0.00 H +HETATM 2830 H6 UFX A 236 14.963 7.185 12.681 1.00 0.00 H +HETATM 2831 H7 UFX A 236 14.407 5.518 12.635 1.00 0.00 H +HETATM 2832 H8 UFX A 236 16.171 6.764 10.696 1.00 0.00 H +HETATM 2833 C1 UFX A 237 29.834 5.487 12.481 1.00 0.00 C +HETATM 2834 C2 UFX A 237 31.160 6.269 12.447 1.00 0.00 C +HETATM 2835 C3 UFX A 237 32.312 5.416 11.892 1.00 0.00 C +HETATM 2836 O1 UFX A 237 32.551 4.296 12.741 1.00 0.00 O +HETATM 2837 H1 UFX A 237 29.573 5.134 11.483 1.00 0.00 H +HETATM 2838 H2 UFX A 237 29.911 4.624 13.143 1.00 0.00 H +HETATM 2839 H3 UFX A 237 29.028 6.125 12.843 1.00 0.00 H +HETATM 2840 H4 UFX A 237 31.037 7.152 11.820 1.00 0.00 H +HETATM 2841 H5 UFX A 237 31.411 6.615 13.450 1.00 0.00 H +HETATM 2842 H6 UFX A 237 33.216 6.020 11.818 1.00 0.00 H +HETATM 2843 H7 UFX A 237 32.067 5.071 10.887 1.00 0.00 H +HETATM 2844 H8 UFX A 237 32.781 4.568 13.655 1.00 0.00 H +HETATM 2845 C1 UFX A 238 12.574 10.807 31.997 1.00 0.00 C +HETATM 2846 C2 UFX A 238 13.235 9.618 32.718 1.00 0.00 C +HETATM 2847 C3 UFX A 238 13.103 9.732 34.245 1.00 0.00 C +HETATM 2848 O1 UFX A 238 13.906 10.808 34.732 1.00 0.00 O +HETATM 2849 H1 UFX A 238 11.510 10.853 32.230 1.00 0.00 H +HETATM 2850 H2 UFX A 238 13.035 11.747 32.299 1.00 0.00 H +HETATM 2851 H3 UFX A 238 12.681 10.703 30.918 1.00 0.00 H +HETATM 2852 H4 UFX A 238 12.762 8.693 32.388 1.00 0.00 H +HETATM 2853 H5 UFX A 238 14.288 9.554 32.442 1.00 0.00 H +HETATM 2854 H6 UFX A 238 13.428 8.800 34.710 1.00 0.00 H +HETATM 2855 H7 UFX A 238 12.060 9.890 34.519 1.00 0.00 H +HETATM 2856 H8 UFX A 238 14.856 10.667 34.534 1.00 0.00 H +HETATM 2857 C1 UFX A 239 0.804 27.387 21.609 1.00 0.00 C +HETATM 2858 C2 UFX A 239 0.718 27.461 20.074 1.00 0.00 C +HETATM 2859 C3 UFX A 239 1.782 28.405 19.492 1.00 0.00 C +HETATM 2860 O1 UFX A 239 1.509 29.748 19.887 1.00 0.00 O +HETATM 2861 H1 UFX A 239 1.791 27.043 21.918 1.00 0.00 H +HETATM 2862 H2 UFX A 239 0.621 28.365 22.053 1.00 0.00 H +HETATM 2863 H3 UFX A 239 0.061 26.689 21.994 1.00 0.00 H +HETATM 2864 H4 UFX A 239 0.864 26.464 19.660 1.00 0.00 H +HETATM 2865 H5 UFX A 239 -0.276 27.793 19.773 1.00 0.00 H +HETATM 2866 H6 UFX A 239 1.777 28.336 18.404 1.00 0.00 H +HETATM 2867 H7 UFX A 239 2.774 28.108 19.833 1.00 0.00 H +HETATM 2868 H8 UFX A 239 0.623 30.046 19.588 1.00 0.00 H +HETATM 2869 C1 UFX A 240 11.705 11.639 8.443 1.00 0.00 C +HETATM 2870 C2 UFX A 240 12.487 12.457 7.398 1.00 0.00 C +HETATM 2871 C3 UFX A 240 13.218 13.658 8.013 1.00 0.00 C +HETATM 2872 O1 UFX A 240 12.324 14.466 8.774 1.00 0.00 O +HETATM 2873 H1 UFX A 240 12.367 11.283 9.232 1.00 0.00 H +HETATM 2874 H2 UFX A 240 10.917 12.242 8.895 1.00 0.00 H +HETATM 2875 H3 UFX A 240 11.239 10.774 7.972 1.00 0.00 H +HETATM 2876 H4 UFX A 240 13.216 11.813 6.907 1.00 0.00 H +HETATM 2877 H5 UFX A 240 11.803 12.811 6.627 1.00 0.00 H +HETATM 2878 H6 UFX A 240 13.675 14.253 7.222 1.00 0.00 H +HETATM 2879 H7 UFX A 240 14.020 13.304 8.661 1.00 0.00 H +HETATM 2880 H8 UFX A 240 11.530 14.723 8.258 1.00 0.00 H +HETATM 2881 C1 UFX A 241 19.517 15.641 18.256 1.00 0.00 C +HETATM 2882 C2 UFX A 241 19.385 14.123 18.444 1.00 0.00 C +HETATM 2883 C3 UFX A 241 20.706 13.414 18.130 1.00 0.00 C +HETATM 2884 O1 UFX A 241 21.013 13.518 16.746 1.00 0.00 O +HETATM 2885 H1 UFX A 241 20.310 16.035 18.892 1.00 0.00 H +HETATM 2886 H2 UFX A 241 19.754 15.876 17.218 1.00 0.00 H +HETATM 2887 H3 UFX A 241 18.586 16.141 18.521 1.00 0.00 H +HETATM 2888 H4 UFX A 241 19.102 13.915 19.477 1.00 0.00 H +HETATM 2889 H5 UFX A 241 18.594 13.733 17.802 1.00 0.00 H +HETATM 2890 H6 UFX A 241 20.631 12.362 18.406 1.00 0.00 H +HETATM 2891 H7 UFX A 241 21.510 13.856 18.718 1.00 0.00 H +HETATM 2892 H8 UFX A 241 20.373 13.026 16.188 1.00 0.00 H +HETATM 2893 C1 UFX A 242 5.075 18.848 21.265 1.00 0.00 C +HETATM 2894 C2 UFX A 242 6.586 18.647 21.053 1.00 0.00 C +HETATM 2895 C3 UFX A 242 7.244 17.911 22.230 1.00 0.00 C +HETATM 2896 O1 UFX A 242 7.132 18.686 23.421 1.00 0.00 O +HETATM 2897 H1 UFX A 242 4.575 17.889 21.400 1.00 0.00 H +HETATM 2898 H2 UFX A 242 4.888 19.470 22.141 1.00 0.00 H +HETATM 2899 H3 UFX A 242 4.637 19.344 20.399 1.00 0.00 H +HETATM 2900 H4 UFX A 242 6.748 18.077 20.139 1.00 0.00 H +HETATM 2901 H5 UFX A 242 7.066 19.616 20.917 1.00 0.00 H +HETATM 2902 H6 UFX A 242 8.297 17.734 22.011 1.00 0.00 H +HETATM 2903 H7 UFX A 242 6.771 16.939 22.373 1.00 0.00 H +HETATM 2904 H8 UFX A 242 7.592 19.549 23.340 1.00 0.00 H +HETATM 2905 C1 UFX A 243 31.802 7.590 31.248 1.00 0.00 C +HETATM 2906 C2 UFX A 243 32.182 6.572 30.159 1.00 0.00 C +HETATM 2907 C3 UFX A 243 31.645 6.989 28.782 1.00 0.00 C +HETATM 2908 O1 UFX A 243 30.219 7.032 28.792 1.00 0.00 O +HETATM 2909 H1 UFX A 243 32.198 8.576 31.003 1.00 0.00 H +HETATM 2910 H2 UFX A 243 30.719 7.664 31.344 1.00 0.00 H +HETATM 2911 H3 UFX A 243 32.212 7.282 32.210 1.00 0.00 H +HETATM 2912 H4 UFX A 243 33.268 6.493 30.108 1.00 0.00 H +HETATM 2913 H5 UFX A 243 31.799 5.586 30.423 1.00 0.00 H +HETATM 2914 H6 UFX A 243 31.986 6.283 28.024 1.00 0.00 H +HETATM 2915 H7 UFX A 243 32.044 7.969 28.517 1.00 0.00 H +HETATM 2916 H8 UFX A 243 29.823 6.167 29.031 1.00 0.00 H +HETATM 2917 C1 UFX A 244 9.309 19.491 4.851 1.00 0.00 C +HETATM 2918 C2 UFX A 244 8.239 19.632 3.754 1.00 0.00 C +HETATM 2919 C3 UFX A 244 6.985 18.811 4.090 1.00 0.00 C +HETATM 2920 O1 UFX A 244 7.303 17.419 4.087 1.00 0.00 O +HETATM 2921 H1 UFX A 244 8.941 19.891 5.796 1.00 0.00 H +HETATM 2922 H2 UFX A 244 9.577 18.445 4.998 1.00 0.00 H +HETATM 2923 H3 UFX A 244 10.211 20.035 4.573 1.00 0.00 H +HETATM 2924 H4 UFX A 244 7.964 20.682 3.653 1.00 0.00 H +HETATM 2925 H5 UFX A 244 8.642 19.307 2.795 1.00 0.00 H +HETATM 2926 H6 UFX A 244 6.206 19.010 3.353 1.00 0.00 H +HETATM 2927 H7 UFX A 244 6.596 19.106 5.065 1.00 0.00 H +HETATM 2928 H8 UFX A 244 7.546 17.102 3.191 1.00 0.00 H +HETATM 2929 C1 UFX A 245 6.149 30.267 17.606 1.00 0.00 C +HETATM 2930 C2 UFX A 245 5.364 30.563 18.893 1.00 0.00 C +HETATM 2931 C3 UFX A 245 4.093 31.375 18.605 1.00 0.00 C +HETATM 2932 O1 UFX A 245 4.431 32.639 18.035 1.00 0.00 O +HETATM 2933 H1 UFX A 245 5.527 29.714 16.902 1.00 0.00 H +HETATM 2934 H2 UFX A 245 6.474 31.192 17.129 1.00 0.00 H +HETATM 2935 H3 UFX A 245 7.029 29.665 17.831 1.00 0.00 H +HETATM 2936 H4 UFX A 245 5.084 29.621 19.365 1.00 0.00 H +HETATM 2937 H5 UFX A 245 5.997 31.101 19.598 1.00 0.00 H +HETATM 2938 H6 UFX A 245 3.539 31.526 19.532 1.00 0.00 H +HETATM 2939 H7 UFX A 245 3.447 30.822 17.923 1.00 0.00 H +HETATM 2940 H8 UFX A 245 4.959 33.188 18.654 1.00 0.00 H +HETATM 2941 C1 UFX A 246 28.546 26.296 8.529 1.00 0.00 C +HETATM 2942 C2 UFX A 246 28.590 25.452 7.246 1.00 0.00 C +HETATM 2943 C3 UFX A 246 29.408 26.131 6.137 1.00 0.00 C +HETATM 2944 O1 UFX A 246 28.829 27.388 5.790 1.00 0.00 O +HETATM 2945 H1 UFX A 246 29.556 26.503 8.883 1.00 0.00 H +HETATM 2946 H2 UFX A 246 28.039 27.244 8.349 1.00 0.00 H +HETATM 2947 H3 UFX A 246 28.006 25.762 9.311 1.00 0.00 H +HETATM 2948 H4 UFX A 246 29.033 24.481 7.472 1.00 0.00 H +HETATM 2949 H5 UFX A 246 27.574 25.267 6.896 1.00 0.00 H +HETATM 2950 H6 UFX A 246 29.437 25.487 5.258 1.00 0.00 H +HETATM 2951 H7 UFX A 246 30.435 26.278 6.470 1.00 0.00 H +HETATM 2952 H8 UFX A 246 27.890 27.299 5.521 1.00 0.00 H +HETATM 2953 C1 UFX A 247 26.815 4.588 19.240 1.00 0.00 C +HETATM 2954 C2 UFX A 247 28.237 4.076 18.967 1.00 0.00 C +HETATM 2955 C3 UFX A 247 28.456 2.649 19.491 1.00 0.00 C +HETATM 2956 O1 UFX A 247 28.279 2.604 20.905 1.00 0.00 O +HETATM 2957 H1 UFX A 247 26.078 3.932 18.776 1.00 0.00 H +HETATM 2958 H2 UFX A 247 26.619 4.631 20.312 1.00 0.00 H +HETATM 2959 H3 UFX A 247 26.693 5.589 18.827 1.00 0.00 H +HETATM 2960 H4 UFX A 247 28.419 4.089 17.893 1.00 0.00 H +HETATM 2961 H5 UFX A 247 28.960 4.750 19.427 1.00 0.00 H +HETATM 2962 H6 UFX A 247 29.467 2.324 19.242 1.00 0.00 H +HETATM 2963 H7 UFX A 247 27.764 1.962 19.002 1.00 0.00 H +HETATM 2964 H8 UFX A 247 28.894 3.222 21.355 1.00 0.00 H +HETATM 2965 C1 UFX A 248 27.886 12.532 14.390 1.00 0.00 C +HETATM 2966 C2 UFX A 248 27.796 12.741 12.870 1.00 0.00 C +HETATM 2967 C3 UFX A 248 27.658 14.225 12.501 1.00 0.00 C +HETATM 2968 O1 UFX A 248 26.509 14.800 13.124 1.00 0.00 O +HETATM 2969 H1 UFX A 248 28.737 13.077 14.798 1.00 0.00 H +HETATM 2970 H2 UFX A 248 26.977 12.878 14.884 1.00 0.00 H +HETATM 2971 H3 UFX A 248 28.015 11.473 14.617 1.00 0.00 H +HETATM 2972 H4 UFX A 248 28.696 12.343 12.400 1.00 0.00 H +HETATM 2973 H5 UFX A 248 26.952 12.179 12.470 1.00 0.00 H +HETATM 2974 H6 UFX A 248 27.580 14.326 11.418 1.00 0.00 H +HETATM 2975 H7 UFX A 248 28.551 14.764 12.816 1.00 0.00 H +HETATM 2976 H8 UFX A 248 25.685 14.327 12.881 1.00 0.00 H +HETATM 2977 C1 UFX A 249 4.064 33.586 24.302 1.00 0.00 C +HETATM 2978 C2 UFX A 249 3.833 32.723 25.556 1.00 0.00 C +HETATM 2979 C3 UFX A 249 2.409 32.147 25.596 1.00 0.00 C +HETATM 2980 O1 UFX A 249 1.452 33.199 25.696 1.00 0.00 O +HETATM 2981 H1 UFX A 249 3.893 33.000 23.399 1.00 0.00 H +HETATM 2982 H2 UFX A 249 3.390 34.442 24.294 1.00 0.00 H +HETATM 2983 H3 UFX A 249 5.089 33.955 24.283 1.00 0.00 H +HETATM 2984 H4 UFX A 249 4.551 31.902 25.559 1.00 0.00 H +HETATM 2985 H5 UFX A 249 4.015 33.317 26.452 1.00 0.00 H +HETATM 2986 H6 UFX A 249 2.309 31.480 26.453 1.00 0.00 H +HETATM 2987 H7 UFX A 249 2.217 31.559 24.698 1.00 0.00 H +HETATM 2988 H8 UFX A 249 1.608 33.767 26.481 1.00 0.00 H +HETATM 2989 C1 UFX A 250 -0.667 16.143 21.302 1.00 0.00 C +HETATM 2990 C2 UFX A 250 -0.577 17.367 22.232 1.00 0.00 C +HETATM 2991 C3 UFX A 250 0.795 17.460 22.919 1.00 0.00 C +HETATM 2992 O1 UFX A 250 0.978 16.359 23.809 1.00 0.00 O +HETATM 2993 H1 UFX A 250 0.103 16.193 20.531 1.00 0.00 H +HETATM 2994 H2 UFX A 250 -0.537 15.218 21.863 1.00 0.00 H +HETATM 2995 H3 UFX A 250 -1.639 16.115 20.810 1.00 0.00 H +HETATM 2996 H4 UFX A 250 -0.743 18.270 21.644 1.00 0.00 H +HETATM 2997 H5 UFX A 250 -1.365 17.323 22.984 1.00 0.00 H +HETATM 2998 H6 UFX A 250 0.864 18.395 23.475 1.00 0.00 H +HETATM 2999 H7 UFX A 250 1.586 17.468 22.168 1.00 0.00 H +HETATM 3000 H8 UFX A 250 0.347 16.388 24.559 1.00 0.00 H +HETATM 3001 C1 UFX A 251 30.444 19.855 23.574 1.00 0.00 C +HETATM 3002 C2 UFX A 251 30.662 19.477 22.100 1.00 0.00 C +HETATM 3003 C3 UFX A 251 31.706 20.380 21.425 1.00 0.00 C +HETATM 3004 O1 UFX A 251 31.267 21.734 21.409 1.00 0.00 O +HETATM 3005 H1 UFX A 251 31.374 19.760 24.134 1.00 0.00 H +HETATM 3006 H2 UFX A 251 30.090 20.882 23.662 1.00 0.00 H +HETATM 3007 H3 UFX A 251 29.699 19.196 24.021 1.00 0.00 H +HETATM 3008 H4 UFX A 251 31.000 18.442 22.047 1.00 0.00 H +HETATM 3009 H5 UFX A 251 29.718 19.538 21.559 1.00 0.00 H +HETATM 3010 H6 UFX A 251 31.877 20.040 20.403 1.00 0.00 H +HETATM 3011 H7 UFX A 251 32.655 20.309 21.958 1.00 0.00 H +HETATM 3012 H8 UFX A 251 30.452 21.851 20.875 1.00 0.00 H +HETATM 3013 C1 UFX A 252 20.669 21.839 4.663 1.00 0.00 C +HETATM 3014 C2 UFX A 252 21.568 20.652 5.045 1.00 0.00 C +HETATM 3015 C3 UFX A 252 22.897 21.106 5.667 1.00 0.00 C +HETATM 3016 O1 UFX A 252 23.626 21.929 4.752 1.00 0.00 O +HETATM 3017 H1 UFX A 252 20.406 22.413 5.552 1.00 0.00 H +HETATM 3018 H2 UFX A 252 21.173 22.497 3.955 1.00 0.00 H +HETATM 3019 H3 UFX A 252 19.750 21.482 4.198 1.00 0.00 H +HETATM 3020 H4 UFX A 252 21.040 20.015 5.755 1.00 0.00 H +HETATM 3021 H5 UFX A 252 21.770 20.046 4.161 1.00 0.00 H +HETATM 3022 H6 UFX A 252 23.492 20.229 5.924 1.00 0.00 H +HETATM 3023 H7 UFX A 252 22.706 21.651 6.592 1.00 0.00 H +HETATM 3024 H8 UFX A 252 23.781 21.462 3.903 1.00 0.00 H +HETATM 3025 C1 UFX A 253 19.498 12.593 11.213 1.00 0.00 C +HETATM 3026 C2 UFX A 253 18.582 13.784 11.544 1.00 0.00 C +HETATM 3027 C3 UFX A 253 19.335 14.897 12.286 1.00 0.00 C +HETATM 3028 O1 UFX A 253 19.761 14.425 13.562 1.00 0.00 O +HETATM 3029 H1 UFX A 253 20.297 12.905 10.541 1.00 0.00 H +HETATM 3030 H2 UFX A 253 19.945 12.185 12.120 1.00 0.00 H +HETATM 3031 H3 UFX A 253 18.927 11.801 10.728 1.00 0.00 H +HETATM 3032 H4 UFX A 253 18.171 14.186 10.618 1.00 0.00 H +HETATM 3033 H5 UFX A 253 17.744 13.447 12.155 1.00 0.00 H +HETATM 3034 H6 UFX A 253 18.677 15.757 12.412 1.00 0.00 H +HETATM 3035 H7 UFX A 253 20.196 15.223 11.704 1.00 0.00 H +HETATM 3036 H8 UFX A 253 19.017 14.054 14.083 1.00 0.00 H +HETATM 3037 C1 UFX A 254 23.300 12.858 11.194 1.00 0.00 C +HETATM 3038 C2 UFX A 254 24.032 12.072 12.294 1.00 0.00 C +HETATM 3039 C3 UFX A 254 23.062 11.274 13.176 1.00 0.00 C +HETATM 3040 O1 UFX A 254 22.208 12.164 13.887 1.00 0.00 O +HETATM 3041 H1 UFX A 254 22.740 12.179 10.550 1.00 0.00 H +HETATM 3042 H2 UFX A 254 22.605 13.576 11.630 1.00 0.00 H +HETATM 3043 H3 UFX A 254 24.017 13.403 10.579 1.00 0.00 H +HETATM 3044 H4 UFX A 254 24.738 11.383 11.830 1.00 0.00 H +HETATM 3045 H5 UFX A 254 24.605 12.756 12.920 1.00 0.00 H +HETATM 3046 H6 UFX A 254 23.628 10.669 13.885 1.00 0.00 H +HETATM 3047 H7 UFX A 254 22.470 10.597 12.560 1.00 0.00 H +HETATM 3048 H8 UFX A 254 22.723 12.800 14.429 1.00 0.00 H +HETATM 3049 C1 UFX A 255 13.884 14.154 3.103 1.00 0.00 C +HETATM 3050 C2 UFX A 255 12.737 13.128 3.055 1.00 0.00 C +HETATM 3051 C3 UFX A 255 13.225 11.712 3.387 1.00 0.00 C +HETATM 3052 O1 UFX A 255 14.198 11.282 2.438 1.00 0.00 O +HETATM 3053 H1 UFX A 255 14.373 14.141 4.077 1.00 0.00 H +HETATM 3054 H2 UFX A 255 14.626 13.931 2.336 1.00 0.00 H +HETATM 3055 H3 UFX A 255 13.499 15.158 2.924 1.00 0.00 H +HETATM 3056 H4 UFX A 255 11.967 13.415 3.772 1.00 0.00 H +HETATM 3057 H5 UFX A 255 12.277 13.136 2.067 1.00 0.00 H +HETATM 3058 H6 UFX A 255 12.381 11.022 3.384 1.00 0.00 H +HETATM 3059 H7 UFX A 255 13.657 11.694 4.388 1.00 0.00 H +HETATM 3060 H8 UFX A 255 13.839 11.245 1.526 1.00 0.00 H +HETATM 3061 C1 UFX A 256 27.861 8.149 26.063 1.00 0.00 C +HETATM 3062 C2 UFX A 256 27.382 6.703 26.259 1.00 0.00 C +HETATM 3063 C3 UFX A 256 26.122 6.370 25.440 1.00 0.00 C +HETATM 3064 O1 UFX A 256 25.064 7.286 25.719 1.00 0.00 O +HETATM 3065 H1 UFX A 256 28.050 8.356 25.009 1.00 0.00 H +HETATM 3066 H2 UFX A 256 27.118 8.852 26.439 1.00 0.00 H +HETATM 3067 H3 UFX A 256 28.785 8.312 26.617 1.00 0.00 H +HETATM 3068 H4 UFX A 256 28.183 6.025 25.965 1.00 0.00 H +HETATM 3069 H5 UFX A 256 27.185 6.529 27.317 1.00 0.00 H +HETATM 3070 H6 UFX A 256 25.797 5.359 25.686 1.00 0.00 H +HETATM 3071 H7 UFX A 256 26.352 6.388 24.375 1.00 0.00 H +HETATM 3072 H8 UFX A 256 25.177 8.132 25.235 1.00 0.00 H +TER 3073 UFX A 256 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 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74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 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342 337 +CONECT 343 337 +CONECT 344 338 +CONECT 345 338 +CONECT 346 339 +CONECT 347 339 +CONECT 348 340 +CONECT 349 350 353 354 355 +CONECT 350 349 351 356 357 +CONECT 351 350 352 358 359 +CONECT 352 351 360 +CONECT 353 349 +CONECT 354 349 +CONECT 355 349 +CONECT 356 350 +CONECT 357 350 +CONECT 358 351 +CONECT 359 351 +CONECT 360 352 +CONECT 361 362 365 366 367 +CONECT 362 361 363 368 369 +CONECT 363 362 364 370 371 +CONECT 364 363 372 +CONECT 365 361 +CONECT 366 361 +CONECT 367 361 +CONECT 368 362 +CONECT 369 362 +CONECT 370 363 +CONECT 371 363 +CONECT 372 364 +CONECT 373 374 377 378 379 +CONECT 374 373 375 380 381 +CONECT 375 374 376 382 383 +CONECT 376 375 384 +CONECT 377 373 +CONECT 378 373 +CONECT 379 373 +CONECT 380 374 +CONECT 381 374 +CONECT 382 375 +CONECT 383 375 +CONECT 384 376 +CONECT 385 386 389 390 391 +CONECT 386 385 387 392 393 +CONECT 387 386 388 394 395 +CONECT 388 387 396 +CONECT 389 385 +CONECT 390 385 +CONECT 391 385 +CONECT 392 386 +CONECT 393 386 +CONECT 394 387 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497 493 +CONECT 498 493 +CONECT 499 493 +CONECT 500 494 +CONECT 501 494 +CONECT 502 495 +CONECT 503 495 +CONECT 504 496 +CONECT 505 506 509 510 511 +CONECT 506 505 507 512 513 +CONECT 507 506 508 514 515 +CONECT 508 507 516 +CONECT 509 505 +CONECT 510 505 +CONECT 511 505 +CONECT 512 506 +CONECT 513 506 +CONECT 514 507 +CONECT 515 507 +CONECT 516 508 +CONECT 517 518 521 522 523 +CONECT 518 517 519 524 525 +CONECT 519 518 520 526 527 +CONECT 520 519 528 +CONECT 521 517 +CONECT 522 517 +CONECT 523 517 +CONECT 524 518 +CONECT 525 518 +CONECT 526 519 +CONECT 527 519 +CONECT 528 520 +CONECT 529 530 533 534 535 +CONECT 530 529 531 536 537 +CONECT 531 530 532 538 539 +CONECT 532 531 540 +CONECT 533 529 +CONECT 534 529 +CONECT 535 529 +CONECT 536 530 +CONECT 537 530 +CONECT 538 531 +CONECT 539 531 +CONECT 540 532 +CONECT 541 542 545 546 547 +CONECT 542 541 543 548 549 +CONECT 543 542 544 550 551 +CONECT 544 543 552 +CONECT 545 541 +CONECT 546 541 +CONECT 547 541 +CONECT 548 542 +CONECT 549 542 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607 +CONECT 602 601 603 608 609 +CONECT 603 602 604 610 611 +CONECT 604 603 612 +CONECT 605 601 +CONECT 606 601 +CONECT 607 601 +CONECT 608 602 +CONECT 609 602 +CONECT 610 603 +CONECT 611 603 +CONECT 612 604 +CONECT 613 614 617 618 619 +CONECT 614 613 615 620 621 +CONECT 615 614 616 622 623 +CONECT 616 615 624 +CONECT 617 613 +CONECT 618 613 +CONECT 619 613 +CONECT 620 614 +CONECT 621 614 +CONECT 622 615 +CONECT 623 615 +CONECT 624 616 +CONECT 625 626 629 630 631 +CONECT 626 625 627 632 633 +CONECT 627 626 628 634 635 +CONECT 628 627 636 +CONECT 629 625 +CONECT 630 625 +CONECT 631 625 +CONECT 632 626 +CONECT 633 626 +CONECT 634 627 +CONECT 635 627 +CONECT 636 628 +CONECT 637 638 641 642 643 +CONECT 638 637 639 644 645 +CONECT 639 638 640 646 647 +CONECT 640 639 648 +CONECT 641 637 +CONECT 642 637 +CONECT 643 637 +CONECT 644 638 +CONECT 645 638 +CONECT 646 639 +CONECT 647 639 +CONECT 648 640 +CONECT 649 650 653 654 655 +CONECT 650 649 651 656 657 +CONECT 651 650 652 658 659 +CONECT 652 651 660 +CONECT 653 649 +CONECT 654 649 +CONECT 655 649 +CONECT 656 650 +CONECT 657 650 +CONECT 658 651 +CONECT 659 651 +CONECT 660 652 +CONECT 661 662 665 666 667 +CONECT 662 661 663 668 669 +CONECT 663 662 664 670 671 +CONECT 664 663 672 +CONECT 665 661 +CONECT 666 661 +CONECT 667 661 +CONECT 668 662 +CONECT 669 662 +CONECT 670 663 +CONECT 671 663 +CONECT 672 664 +CONECT 673 674 677 678 679 +CONECT 674 673 675 680 681 +CONECT 675 674 676 682 683 +CONECT 676 675 684 +CONECT 677 673 +CONECT 678 673 +CONECT 679 673 +CONECT 680 674 +CONECT 681 674 +CONECT 682 675 +CONECT 683 675 +CONECT 684 676 +CONECT 685 686 689 690 691 +CONECT 686 685 687 692 693 +CONECT 687 686 688 694 695 +CONECT 688 687 696 +CONECT 689 685 +CONECT 690 685 +CONECT 691 685 +CONECT 692 686 +CONECT 693 686 +CONECT 694 687 +CONECT 695 687 +CONECT 696 688 +CONECT 697 698 701 702 703 +CONECT 698 697 699 704 705 +CONECT 699 698 700 706 707 +CONECT 700 699 708 +CONECT 701 697 +CONECT 702 697 +CONECT 703 697 +CONECT 704 698 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757 758 761 762 763 +CONECT 758 757 759 764 765 +CONECT 759 758 760 766 767 +CONECT 760 759 768 +CONECT 761 757 +CONECT 762 757 +CONECT 763 757 +CONECT 764 758 +CONECT 765 758 +CONECT 766 759 +CONECT 767 759 +CONECT 768 760 +CONECT 769 770 773 774 775 +CONECT 770 769 771 776 777 +CONECT 771 770 772 778 779 +CONECT 772 771 780 +CONECT 773 769 +CONECT 774 769 +CONECT 775 769 +CONECT 776 770 +CONECT 777 770 +CONECT 778 771 +CONECT 779 771 +CONECT 780 772 +CONECT 781 782 785 786 787 +CONECT 782 781 783 788 789 +CONECT 783 782 784 790 791 +CONECT 784 783 792 +CONECT 785 781 +CONECT 786 781 +CONECT 787 781 +CONECT 788 782 +CONECT 789 782 +CONECT 790 783 +CONECT 791 783 +CONECT 792 784 +CONECT 793 794 797 798 799 +CONECT 794 793 795 800 801 +CONECT 795 794 796 802 803 +CONECT 796 795 804 +CONECT 797 793 +CONECT 798 793 +CONECT 799 793 +CONECT 800 794 +CONECT 801 794 +CONECT 802 795 +CONECT 803 795 +CONECT 804 796 +CONECT 805 806 809 810 811 +CONECT 806 805 807 812 813 +CONECT 807 806 808 814 815 +CONECT 808 807 816 +CONECT 809 805 +CONECT 810 805 +CONECT 811 805 +CONECT 812 806 +CONECT 813 806 +CONECT 814 807 +CONECT 815 807 +CONECT 816 808 +CONECT 817 818 821 822 823 +CONECT 818 817 819 824 825 +CONECT 819 818 820 826 827 +CONECT 820 819 828 +CONECT 821 817 +CONECT 822 817 +CONECT 823 817 +CONECT 824 818 +CONECT 825 818 +CONECT 826 819 +CONECT 827 819 +CONECT 828 820 +CONECT 829 830 833 834 835 +CONECT 830 829 831 836 837 +CONECT 831 830 832 838 839 +CONECT 832 831 840 +CONECT 833 829 +CONECT 834 829 +CONECT 835 829 +CONECT 836 830 +CONECT 837 830 +CONECT 838 831 +CONECT 839 831 +CONECT 840 832 +CONECT 841 842 845 846 847 +CONECT 842 841 843 848 849 +CONECT 843 842 844 850 851 +CONECT 844 843 852 +CONECT 845 841 +CONECT 846 841 +CONECT 847 841 +CONECT 848 842 +CONECT 849 842 +CONECT 850 843 +CONECT 851 843 +CONECT 852 844 +CONECT 853 854 857 858 859 +CONECT 854 853 855 860 861 +CONECT 855 854 856 862 863 +CONECT 856 855 864 +CONECT 857 853 +CONECT 858 853 +CONECT 859 853 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+CONECT 1824 1816 +CONECT 1825 1826 1829 1830 1831 +CONECT 1826 1825 1827 1832 1833 +CONECT 1827 1826 1828 1834 1835 +CONECT 1828 1827 1836 +CONECT 1829 1825 +CONECT 1830 1825 +CONECT 1831 1825 +CONECT 1832 1826 +CONECT 1833 1826 +CONECT 1834 1827 +CONECT 1835 1827 +CONECT 1836 1828 +CONECT 1837 1838 1841 1842 1843 +CONECT 1838 1837 1839 1844 1845 +CONECT 1839 1838 1840 1846 1847 +CONECT 1840 1839 1848 +CONECT 1841 1837 +CONECT 1842 1837 +CONECT 1843 1837 +CONECT 1844 1838 +CONECT 1845 1838 +CONECT 1846 1839 +CONECT 1847 1839 +CONECT 1848 1840 +CONECT 1849 1850 1853 1854 1855 +CONECT 1850 1849 1851 1856 1857 +CONECT 1851 1850 1852 1858 1859 +CONECT 1852 1851 1860 +CONECT 1853 1849 +CONECT 1854 1849 +CONECT 1855 1849 +CONECT 1856 1850 +CONECT 1857 1850 +CONECT 1858 1851 +CONECT 1859 1851 +CONECT 1860 1852 +CONECT 1861 1862 1865 1866 1867 +CONECT 1862 1861 1863 1868 1869 +CONECT 1863 1862 1864 1870 1871 +CONECT 1864 1863 1872 +CONECT 1865 1861 +CONECT 1866 1861 +CONECT 1867 1861 +CONECT 1868 1862 +CONECT 1869 1862 +CONECT 1870 1863 +CONECT 1871 1863 +CONECT 1872 1864 +CONECT 1873 1874 1877 1878 1879 +CONECT 1874 1873 1875 1880 1881 +CONECT 1875 1874 1876 1882 1883 +CONECT 1876 1875 1884 +CONECT 1877 1873 +CONECT 1878 1873 +CONECT 1879 1873 +CONECT 1880 1874 +CONECT 1881 1874 +CONECT 1882 1875 +CONECT 1883 1875 +CONECT 1884 1876 +CONECT 1885 1886 1889 1890 1891 +CONECT 1886 1885 1887 1892 1893 +CONECT 1887 1886 1888 1894 1895 +CONECT 1888 1887 1896 +CONECT 1889 1885 +CONECT 1890 1885 +CONECT 1891 1885 +CONECT 1892 1886 +CONECT 1893 1886 +CONECT 1894 1887 +CONECT 1895 1887 +CONECT 1896 1888 +CONECT 1897 1898 1901 1902 1903 +CONECT 1898 1897 1899 1904 1905 +CONECT 1899 1898 1900 1906 1907 +CONECT 1900 1899 1908 +CONECT 1901 1897 +CONECT 1902 1897 +CONECT 1903 1897 +CONECT 1904 1898 +CONECT 1905 1898 +CONECT 1906 1899 +CONECT 1907 1899 +CONECT 1908 1900 +CONECT 1909 1910 1913 1914 1915 +CONECT 1910 1909 1911 1916 1917 +CONECT 1911 1910 1912 1918 1919 +CONECT 1912 1911 1920 +CONECT 1913 1909 +CONECT 1914 1909 +CONECT 1915 1909 +CONECT 1916 1910 +CONECT 1917 1910 +CONECT 1918 1911 +CONECT 1919 1911 +CONECT 1920 1912 +CONECT 1921 1922 1925 1926 1927 +CONECT 1922 1921 1923 1928 1929 +CONECT 1923 1922 1924 1930 1931 +CONECT 1924 1923 1932 +CONECT 1925 1921 +CONECT 1926 1921 +CONECT 1927 1921 +CONECT 1928 1922 +CONECT 1929 1922 +CONECT 1930 1923 +CONECT 1931 1923 +CONECT 1932 1924 +CONECT 1933 1934 1937 1938 1939 +CONECT 1934 1933 1935 1940 1941 +CONECT 1935 1934 1936 1942 1943 +CONECT 1936 1935 1944 +CONECT 1937 1933 +CONECT 1938 1933 +CONECT 1939 1933 +CONECT 1940 1934 +CONECT 1941 1934 +CONECT 1942 1935 +CONECT 1943 1935 +CONECT 1944 1936 +CONECT 1945 1946 1949 1950 1951 +CONECT 1946 1945 1947 1952 1953 +CONECT 1947 1946 1948 1954 1955 +CONECT 1948 1947 1956 +CONECT 1949 1945 +CONECT 1950 1945 +CONECT 1951 1945 +CONECT 1952 1946 +CONECT 1953 1946 +CONECT 1954 1947 +CONECT 1955 1947 +CONECT 1956 1948 +CONECT 1957 1958 1961 1962 1963 +CONECT 1958 1957 1959 1964 1965 +CONECT 1959 1958 1960 1966 1967 +CONECT 1960 1959 1968 +CONECT 1961 1957 +CONECT 1962 1957 +CONECT 1963 1957 +CONECT 1964 1958 +CONECT 1965 1958 +CONECT 1966 1959 +CONECT 1967 1959 +CONECT 1968 1960 +CONECT 1969 1970 1973 1974 1975 +CONECT 1970 1969 1971 1976 1977 +CONECT 1971 1970 1972 1978 1979 +CONECT 1972 1971 1980 +CONECT 1973 1969 +CONECT 1974 1969 +CONECT 1975 1969 +CONECT 1976 1970 +CONECT 1977 1970 +CONECT 1978 1971 +CONECT 1979 1971 +CONECT 1980 1972 +CONECT 1981 1982 1985 1986 1987 +CONECT 1982 1981 1983 1988 1989 +CONECT 1983 1982 1984 1990 1991 +CONECT 1984 1983 1992 +CONECT 1985 1981 +CONECT 1986 1981 +CONECT 1987 1981 +CONECT 1988 1982 +CONECT 1989 1982 +CONECT 1990 1983 +CONECT 1991 1983 +CONECT 1992 1984 +CONECT 1993 1994 1997 1998 1999 +CONECT 1994 1993 1995 2000 2001 +CONECT 1995 1994 1996 2002 2003 +CONECT 1996 1995 2004 +CONECT 1997 1993 +CONECT 1998 1993 +CONECT 1999 1993 +CONECT 2000 1994 +CONECT 2001 1994 +CONECT 2002 1995 +CONECT 2003 1995 +CONECT 2004 1996 +CONECT 2005 2006 2009 2010 2011 +CONECT 2006 2005 2007 2012 2013 +CONECT 2007 2006 2008 2014 2015 +CONECT 2008 2007 2016 +CONECT 2009 2005 +CONECT 2010 2005 +CONECT 2011 2005 +CONECT 2012 2006 +CONECT 2013 2006 +CONECT 2014 2007 +CONECT 2015 2007 +CONECT 2016 2008 +CONECT 2017 2018 2021 2022 2023 +CONECT 2018 2017 2019 2024 2025 +CONECT 2019 2018 2020 2026 2027 +CONECT 2020 2019 2028 +CONECT 2021 2017 +CONECT 2022 2017 +CONECT 2023 2017 +CONECT 2024 2018 +CONECT 2025 2018 +CONECT 2026 2019 +CONECT 2027 2019 +CONECT 2028 2020 +CONECT 2029 2030 2033 2034 2035 +CONECT 2030 2029 2031 2036 2037 +CONECT 2031 2030 2032 2038 2039 +CONECT 2032 2031 2040 +CONECT 2033 2029 +CONECT 2034 2029 +CONECT 2035 2029 +CONECT 2036 2030 +CONECT 2037 2030 +CONECT 2038 2031 +CONECT 2039 2031 +CONECT 2040 2032 +CONECT 2041 2042 2045 2046 2047 +CONECT 2042 2041 2043 2048 2049 +CONECT 2043 2042 2044 2050 2051 +CONECT 2044 2043 2052 +CONECT 2045 2041 +CONECT 2046 2041 +CONECT 2047 2041 +CONECT 2048 2042 +CONECT 2049 2042 +CONECT 2050 2043 +CONECT 2051 2043 +CONECT 2052 2044 +CONECT 2053 2054 2057 2058 2059 +CONECT 2054 2053 2055 2060 2061 +CONECT 2055 2054 2056 2062 2063 +CONECT 2056 2055 2064 +CONECT 2057 2053 +CONECT 2058 2053 +CONECT 2059 2053 +CONECT 2060 2054 +CONECT 2061 2054 +CONECT 2062 2055 +CONECT 2063 2055 +CONECT 2064 2056 +CONECT 2065 2066 2069 2070 2071 +CONECT 2066 2065 2067 2072 2073 +CONECT 2067 2066 2068 2074 2075 +CONECT 2068 2067 2076 +CONECT 2069 2065 +CONECT 2070 2065 +CONECT 2071 2065 +CONECT 2072 2066 +CONECT 2073 2066 +CONECT 2074 2067 +CONECT 2075 2067 +CONECT 2076 2068 +CONECT 2077 2078 2081 2082 2083 +CONECT 2078 2077 2079 2084 2085 +CONECT 2079 2078 2080 2086 2087 +CONECT 2080 2079 2088 +CONECT 2081 2077 +CONECT 2082 2077 +CONECT 2083 2077 +CONECT 2084 2078 +CONECT 2085 2078 +CONECT 2086 2079 +CONECT 2087 2079 +CONECT 2088 2080 +CONECT 2089 2090 2093 2094 2095 +CONECT 2090 2089 2091 2096 2097 +CONECT 2091 2090 2092 2098 2099 +CONECT 2092 2091 2100 +CONECT 2093 2089 +CONECT 2094 2089 +CONECT 2095 2089 +CONECT 2096 2090 +CONECT 2097 2090 +CONECT 2098 2091 +CONECT 2099 2091 +CONECT 2100 2092 +CONECT 2101 2102 2105 2106 2107 +CONECT 2102 2101 2103 2108 2109 +CONECT 2103 2102 2104 2110 2111 +CONECT 2104 2103 2112 +CONECT 2105 2101 +CONECT 2106 2101 +CONECT 2107 2101 +CONECT 2108 2102 +CONECT 2109 2102 +CONECT 2110 2103 +CONECT 2111 2103 +CONECT 2112 2104 +CONECT 2113 2114 2117 2118 2119 +CONECT 2114 2113 2115 2120 2121 +CONECT 2115 2114 2116 2122 2123 +CONECT 2116 2115 2124 +CONECT 2117 2113 +CONECT 2118 2113 +CONECT 2119 2113 +CONECT 2120 2114 +CONECT 2121 2114 +CONECT 2122 2115 +CONECT 2123 2115 +CONECT 2124 2116 +CONECT 2125 2126 2129 2130 2131 +CONECT 2126 2125 2127 2132 2133 +CONECT 2127 2126 2128 2134 2135 +CONECT 2128 2127 2136 +CONECT 2129 2125 +CONECT 2130 2125 +CONECT 2131 2125 +CONECT 2132 2126 +CONECT 2133 2126 +CONECT 2134 2127 +CONECT 2135 2127 +CONECT 2136 2128 +CONECT 2137 2138 2141 2142 2143 +CONECT 2138 2137 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2228 2222 +CONECT 2229 2222 +CONECT 2230 2223 +CONECT 2231 2223 +CONECT 2232 2224 +CONECT 2233 2234 2237 2238 2239 +CONECT 2234 2233 2235 2240 2241 +CONECT 2235 2234 2236 2242 2243 +CONECT 2236 2235 2244 +CONECT 2237 2233 +CONECT 2238 2233 +CONECT 2239 2233 +CONECT 2240 2234 +CONECT 2241 2234 +CONECT 2242 2235 +CONECT 2243 2235 +CONECT 2244 2236 +CONECT 2245 2246 2249 2250 2251 +CONECT 2246 2245 2247 2252 2253 +CONECT 2247 2246 2248 2254 2255 +CONECT 2248 2247 2256 +CONECT 2249 2245 +CONECT 2250 2245 +CONECT 2251 2245 +CONECT 2252 2246 +CONECT 2253 2246 +CONECT 2254 2247 +CONECT 2255 2247 +CONECT 2256 2248 +CONECT 2257 2258 2261 2262 2263 +CONECT 2258 2257 2259 2264 2265 +CONECT 2259 2258 2260 2266 2267 +CONECT 2260 2259 2268 +CONECT 2261 2257 +CONECT 2262 2257 +CONECT 2263 2257 +CONECT 2264 2258 +CONECT 2265 2258 +CONECT 2266 2259 +CONECT 2267 2259 +CONECT 2268 2260 +CONECT 2269 2270 2273 2274 2275 +CONECT 2270 2269 2271 2276 2277 +CONECT 2271 2270 2272 2278 2279 +CONECT 2272 2271 2280 +CONECT 2273 2269 +CONECT 2274 2269 +CONECT 2275 2269 +CONECT 2276 2270 +CONECT 2277 2270 +CONECT 2278 2271 +CONECT 2279 2271 +CONECT 2280 2272 +CONECT 2281 2282 2285 2286 2287 +CONECT 2282 2281 2283 2288 2289 +CONECT 2283 2282 2284 2290 2291 +CONECT 2284 2283 2292 +CONECT 2285 2281 +CONECT 2286 2281 +CONECT 2287 2281 +CONECT 2288 2282 +CONECT 2289 2282 +CONECT 2290 2283 +CONECT 2291 2283 +CONECT 2292 2284 +CONECT 2293 2294 2297 2298 2299 +CONECT 2294 2293 2295 2300 2301 +CONECT 2295 2294 2296 2302 2303 +CONECT 2296 2295 2304 +CONECT 2297 2293 +CONECT 2298 2293 +CONECT 2299 2293 +CONECT 2300 2294 +CONECT 2301 2294 +CONECT 2302 2295 +CONECT 2303 2295 +CONECT 2304 2296 +CONECT 2305 2306 2309 2310 2311 +CONECT 2306 2305 2307 2312 2313 +CONECT 2307 2306 2308 2314 2315 +CONECT 2308 2307 2316 +CONECT 2309 2305 +CONECT 2310 2305 +CONECT 2311 2305 +CONECT 2312 2306 +CONECT 2313 2306 +CONECT 2314 2307 +CONECT 2315 2307 +CONECT 2316 2308 +CONECT 2317 2318 2321 2322 2323 +CONECT 2318 2317 2319 2324 2325 +CONECT 2319 2318 2320 2326 2327 +CONECT 2320 2319 2328 +CONECT 2321 2317 +CONECT 2322 2317 +CONECT 2323 2317 +CONECT 2324 2318 +CONECT 2325 2318 +CONECT 2326 2319 +CONECT 2327 2319 +CONECT 2328 2320 +CONECT 2329 2330 2333 2334 2335 +CONECT 2330 2329 2331 2336 2337 +CONECT 2331 2330 2332 2338 2339 +CONECT 2332 2331 2340 +CONECT 2333 2329 +CONECT 2334 2329 +CONECT 2335 2329 +CONECT 2336 2330 +CONECT 2337 2330 +CONECT 2338 2331 +CONECT 2339 2331 +CONECT 2340 2332 +CONECT 2341 2342 2345 2346 2347 +CONECT 2342 2341 2343 2348 2349 +CONECT 2343 2342 2344 2350 2351 +CONECT 2344 2343 2352 +CONECT 2345 2341 +CONECT 2346 2341 +CONECT 2347 2341 +CONECT 2348 2342 +CONECT 2349 2342 +CONECT 2350 2343 +CONECT 2351 2343 +CONECT 2352 2344 +CONECT 2353 2354 2357 2358 2359 +CONECT 2354 2353 2355 2360 2361 +CONECT 2355 2354 2356 2362 2363 +CONECT 2356 2355 2364 +CONECT 2357 2353 +CONECT 2358 2353 +CONECT 2359 2353 +CONECT 2360 2354 +CONECT 2361 2354 +CONECT 2362 2355 +CONECT 2363 2355 +CONECT 2364 2356 +CONECT 2365 2366 2369 2370 2371 +CONECT 2366 2365 2367 2372 2373 +CONECT 2367 2366 2368 2374 2375 +CONECT 2368 2367 2376 +CONECT 2369 2365 +CONECT 2370 2365 +CONECT 2371 2365 +CONECT 2372 2366 +CONECT 2373 2366 +CONECT 2374 2367 +CONECT 2375 2367 +CONECT 2376 2368 +CONECT 2377 2378 2381 2382 2383 +CONECT 2378 2377 2379 2384 2385 +CONECT 2379 2378 2380 2386 2387 +CONECT 2380 2379 2388 +CONECT 2381 2377 +CONECT 2382 2377 +CONECT 2383 2377 +CONECT 2384 2378 +CONECT 2385 2378 +CONECT 2386 2379 +CONECT 2387 2379 +CONECT 2388 2380 +CONECT 2389 2390 2393 2394 2395 +CONECT 2390 2389 2391 2396 2397 +CONECT 2391 2390 2392 2398 2399 +CONECT 2392 2391 2400 +CONECT 2393 2389 +CONECT 2394 2389 +CONECT 2395 2389 +CONECT 2396 2390 +CONECT 2397 2390 +CONECT 2398 2391 +CONECT 2399 2391 +CONECT 2400 2392 +CONECT 2401 2402 2405 2406 2407 +CONECT 2402 2401 2403 2408 2409 +CONECT 2403 2402 2404 2410 2411 +CONECT 2404 2403 2412 +CONECT 2405 2401 +CONECT 2406 2401 +CONECT 2407 2401 +CONECT 2408 2402 +CONECT 2409 2402 +CONECT 2410 2403 +CONECT 2411 2403 +CONECT 2412 2404 +CONECT 2413 2414 2417 2418 2419 +CONECT 2414 2413 2415 2420 2421 +CONECT 2415 2414 2416 2422 2423 +CONECT 2416 2415 2424 +CONECT 2417 2413 +CONECT 2418 2413 +CONECT 2419 2413 +CONECT 2420 2414 +CONECT 2421 2414 +CONECT 2422 2415 +CONECT 2423 2415 +CONECT 2424 2416 +CONECT 2425 2426 2429 2430 2431 +CONECT 2426 2425 2427 2432 2433 +CONECT 2427 2426 2428 2434 2435 +CONECT 2428 2427 2436 +CONECT 2429 2425 +CONECT 2430 2425 +CONECT 2431 2425 +CONECT 2432 2426 +CONECT 2433 2426 +CONECT 2434 2427 +CONECT 2435 2427 +CONECT 2436 2428 +CONECT 2437 2438 2441 2442 2443 +CONECT 2438 2437 2439 2444 2445 +CONECT 2439 2438 2440 2446 2447 +CONECT 2440 2439 2448 +CONECT 2441 2437 +CONECT 2442 2437 +CONECT 2443 2437 +CONECT 2444 2438 +CONECT 2445 2438 +CONECT 2446 2439 +CONECT 2447 2439 +CONECT 2448 2440 +CONECT 2449 2450 2453 2454 2455 +CONECT 2450 2449 2451 2456 2457 +CONECT 2451 2450 2452 2458 2459 +CONECT 2452 2451 2460 +CONECT 2453 2449 +CONECT 2454 2449 +CONECT 2455 2449 +CONECT 2456 2450 +CONECT 2457 2450 +CONECT 2458 2451 +CONECT 2459 2451 +CONECT 2460 2452 +CONECT 2461 2462 2465 2466 2467 +CONECT 2462 2461 2463 2468 2469 +CONECT 2463 2462 2464 2470 2471 +CONECT 2464 2463 2472 +CONECT 2465 2461 +CONECT 2466 2461 +CONECT 2467 2461 +CONECT 2468 2462 +CONECT 2469 2462 +CONECT 2470 2463 +CONECT 2471 2463 +CONECT 2472 2464 +CONECT 2473 2474 2477 2478 2479 +CONECT 2474 2473 2475 2480 2481 +CONECT 2475 2474 2476 2482 2483 +CONECT 2476 2475 2484 +CONECT 2477 2473 +CONECT 2478 2473 +CONECT 2479 2473 +CONECT 2480 2474 +CONECT 2481 2474 +CONECT 2482 2475 +CONECT 2483 2475 +CONECT 2484 2476 +CONECT 2485 2486 2489 2490 2491 +CONECT 2486 2485 2487 2492 2493 +CONECT 2487 2486 2488 2494 2495 +CONECT 2488 2487 2496 +CONECT 2489 2485 +CONECT 2490 2485 +CONECT 2491 2485 +CONECT 2492 2486 +CONECT 2493 2486 +CONECT 2494 2487 +CONECT 2495 2487 +CONECT 2496 2488 +CONECT 2497 2498 2501 2502 2503 +CONECT 2498 2497 2499 2504 2505 +CONECT 2499 2498 2500 2506 2507 +CONECT 2500 2499 2508 +CONECT 2501 2497 +CONECT 2502 2497 +CONECT 2503 2497 +CONECT 2504 2498 +CONECT 2505 2498 +CONECT 2506 2499 +CONECT 2507 2499 +CONECT 2508 2500 +CONECT 2509 2510 2513 2514 2515 +CONECT 2510 2509 2511 2516 2517 +CONECT 2511 2510 2512 2518 2519 +CONECT 2512 2511 2520 +CONECT 2513 2509 +CONECT 2514 2509 +CONECT 2515 2509 +CONECT 2516 2510 +CONECT 2517 2510 +CONECT 2518 2511 +CONECT 2519 2511 +CONECT 2520 2512 +CONECT 2521 2522 2525 2526 2527 +CONECT 2522 2521 2523 2528 2529 +CONECT 2523 2522 2524 2530 2531 +CONECT 2524 2523 2532 +CONECT 2525 2521 +CONECT 2526 2521 +CONECT 2527 2521 +CONECT 2528 2522 +CONECT 2529 2522 +CONECT 2530 2523 +CONECT 2531 2523 +CONECT 2532 2524 +CONECT 2533 2534 2537 2538 2539 +CONECT 2534 2533 2535 2540 2541 +CONECT 2535 2534 2536 2542 2543 +CONECT 2536 2535 2544 +CONECT 2537 2533 +CONECT 2538 2533 +CONECT 2539 2533 +CONECT 2540 2534 +CONECT 2541 2534 +CONECT 2542 2535 +CONECT 2543 2535 +CONECT 2544 2536 +CONECT 2545 2546 2549 2550 2551 +CONECT 2546 2545 2547 2552 2553 +CONECT 2547 2546 2548 2554 2555 +CONECT 2548 2547 2556 +CONECT 2549 2545 +CONECT 2550 2545 +CONECT 2551 2545 +CONECT 2552 2546 +CONECT 2553 2546 +CONECT 2554 2547 +CONECT 2555 2547 +CONECT 2556 2548 +CONECT 2557 2558 2561 2562 2563 +CONECT 2558 2557 2559 2564 2565 +CONECT 2559 2558 2560 2566 2567 +CONECT 2560 2559 2568 +CONECT 2561 2557 +CONECT 2562 2557 +CONECT 2563 2557 +CONECT 2564 2558 +CONECT 2565 2558 +CONECT 2566 2559 +CONECT 2567 2559 +CONECT 2568 2560 +CONECT 2569 2570 2573 2574 2575 +CONECT 2570 2569 2571 2576 2577 +CONECT 2571 2570 2572 2578 2579 +CONECT 2572 2571 2580 +CONECT 2573 2569 +CONECT 2574 2569 +CONECT 2575 2569 +CONECT 2576 2570 +CONECT 2577 2570 +CONECT 2578 2571 +CONECT 2579 2571 +CONECT 2580 2572 +CONECT 2581 2582 2585 2586 2587 +CONECT 2582 2581 2583 2588 2589 +CONECT 2583 2582 2584 2590 2591 +CONECT 2584 2583 2592 +CONECT 2585 2581 +CONECT 2586 2581 +CONECT 2587 2581 +CONECT 2588 2582 +CONECT 2589 2582 +CONECT 2590 2583 +CONECT 2591 2583 +CONECT 2592 2584 +CONECT 2593 2594 2597 2598 2599 +CONECT 2594 2593 2595 2600 2601 +CONECT 2595 2594 2596 2602 2603 +CONECT 2596 2595 2604 +CONECT 2597 2593 +CONECT 2598 2593 +CONECT 2599 2593 +CONECT 2600 2594 +CONECT 2601 2594 +CONECT 2602 2595 +CONECT 2603 2595 +CONECT 2604 2596 +CONECT 2605 2606 2609 2610 2611 +CONECT 2606 2605 2607 2612 2613 +CONECT 2607 2606 2608 2614 2615 +CONECT 2608 2607 2616 +CONECT 2609 2605 +CONECT 2610 2605 +CONECT 2611 2605 +CONECT 2612 2606 +CONECT 2613 2606 +CONECT 2614 2607 +CONECT 2615 2607 +CONECT 2616 2608 +CONECT 2617 2618 2621 2622 2623 +CONECT 2618 2617 2619 2624 2625 +CONECT 2619 2618 2620 2626 2627 +CONECT 2620 2619 2628 +CONECT 2621 2617 +CONECT 2622 2617 +CONECT 2623 2617 +CONECT 2624 2618 +CONECT 2625 2618 +CONECT 2626 2619 +CONECT 2627 2619 +CONECT 2628 2620 +CONECT 2629 2630 2633 2634 2635 +CONECT 2630 2629 2631 2636 2637 +CONECT 2631 2630 2632 2638 2639 +CONECT 2632 2631 2640 +CONECT 2633 2629 +CONECT 2634 2629 +CONECT 2635 2629 +CONECT 2636 2630 +CONECT 2637 2630 +CONECT 2638 2631 +CONECT 2639 2631 +CONECT 2640 2632 +CONECT 2641 2642 2645 2646 2647 +CONECT 2642 2641 2643 2648 2649 +CONECT 2643 2642 2644 2650 2651 +CONECT 2644 2643 2652 +CONECT 2645 2641 +CONECT 2646 2641 +CONECT 2647 2641 +CONECT 2648 2642 +CONECT 2649 2642 +CONECT 2650 2643 +CONECT 2651 2643 +CONECT 2652 2644 +CONECT 2653 2654 2657 2658 2659 +CONECT 2654 2653 2655 2660 2661 +CONECT 2655 2654 2656 2662 2663 +CONECT 2656 2655 2664 +CONECT 2657 2653 +CONECT 2658 2653 +CONECT 2659 2653 +CONECT 2660 2654 +CONECT 2661 2654 +CONECT 2662 2655 +CONECT 2663 2655 +CONECT 2664 2656 +CONECT 2665 2666 2669 2670 2671 +CONECT 2666 2665 2667 2672 2673 +CONECT 2667 2666 2668 2674 2675 +CONECT 2668 2667 2676 +CONECT 2669 2665 +CONECT 2670 2665 +CONECT 2671 2665 +CONECT 2672 2666 +CONECT 2673 2666 +CONECT 2674 2667 +CONECT 2675 2667 +CONECT 2676 2668 +CONECT 2677 2678 2681 2682 2683 +CONECT 2678 2677 2679 2684 2685 +CONECT 2679 2678 2680 2686 2687 +CONECT 2680 2679 2688 +CONECT 2681 2677 +CONECT 2682 2677 +CONECT 2683 2677 +CONECT 2684 2678 +CONECT 2685 2678 +CONECT 2686 2679 +CONECT 2687 2679 +CONECT 2688 2680 +CONECT 2689 2690 2693 2694 2695 +CONECT 2690 2689 2691 2696 2697 +CONECT 2691 2690 2692 2698 2699 +CONECT 2692 2691 2700 +CONECT 2693 2689 +CONECT 2694 2689 +CONECT 2695 2689 +CONECT 2696 2690 +CONECT 2697 2690 +CONECT 2698 2691 +CONECT 2699 2691 +CONECT 2700 2692 +CONECT 2701 2702 2705 2706 2707 +CONECT 2702 2701 2703 2708 2709 +CONECT 2703 2702 2704 2710 2711 +CONECT 2704 2703 2712 +CONECT 2705 2701 +CONECT 2706 2701 +CONECT 2707 2701 +CONECT 2708 2702 +CONECT 2709 2702 +CONECT 2710 2703 +CONECT 2711 2703 +CONECT 2712 2704 +CONECT 2713 2714 2717 2718 2719 +CONECT 2714 2713 2715 2720 2721 +CONECT 2715 2714 2716 2722 2723 +CONECT 2716 2715 2724 +CONECT 2717 2713 +CONECT 2718 2713 +CONECT 2719 2713 +CONECT 2720 2714 +CONECT 2721 2714 +CONECT 2722 2715 +CONECT 2723 2715 +CONECT 2724 2716 +CONECT 2725 2726 2729 2730 2731 +CONECT 2726 2725 2727 2732 2733 +CONECT 2727 2726 2728 2734 2735 +CONECT 2728 2727 2736 +CONECT 2729 2725 +CONECT 2730 2725 +CONECT 2731 2725 +CONECT 2732 2726 +CONECT 2733 2726 +CONECT 2734 2727 +CONECT 2735 2727 +CONECT 2736 2728 +CONECT 2737 2738 2741 2742 2743 +CONECT 2738 2737 2739 2744 2745 +CONECT 2739 2738 2740 2746 2747 +CONECT 2740 2739 2748 +CONECT 2741 2737 +CONECT 2742 2737 +CONECT 2743 2737 +CONECT 2744 2738 +CONECT 2745 2738 +CONECT 2746 2739 +CONECT 2747 2739 +CONECT 2748 2740 +CONECT 2749 2750 2753 2754 2755 +CONECT 2750 2749 2751 2756 2757 +CONECT 2751 2750 2752 2758 2759 +CONECT 2752 2751 2760 +CONECT 2753 2749 +CONECT 2754 2749 +CONECT 2755 2749 +CONECT 2756 2750 +CONECT 2757 2750 +CONECT 2758 2751 +CONECT 2759 2751 +CONECT 2760 2752 +CONECT 2761 2762 2765 2766 2767 +CONECT 2762 2761 2763 2768 2769 +CONECT 2763 2762 2764 2770 2771 +CONECT 2764 2763 2772 +CONECT 2765 2761 +CONECT 2766 2761 +CONECT 2767 2761 +CONECT 2768 2762 +CONECT 2769 2762 +CONECT 2770 2763 +CONECT 2771 2763 +CONECT 2772 2764 +CONECT 2773 2774 2777 2778 2779 +CONECT 2774 2773 2775 2780 2781 +CONECT 2775 2774 2776 2782 2783 +CONECT 2776 2775 2784 +CONECT 2777 2773 +CONECT 2778 2773 +CONECT 2779 2773 +CONECT 2780 2774 +CONECT 2781 2774 +CONECT 2782 2775 +CONECT 2783 2775 +CONECT 2784 2776 +CONECT 2785 2786 2789 2790 2791 +CONECT 2786 2785 2787 2792 2793 +CONECT 2787 2786 2788 2794 2795 +CONECT 2788 2787 2796 +CONECT 2789 2785 +CONECT 2790 2785 +CONECT 2791 2785 +CONECT 2792 2786 +CONECT 2793 2786 +CONECT 2794 2787 +CONECT 2795 2787 +CONECT 2796 2788 +CONECT 2797 2798 2801 2802 2803 +CONECT 2798 2797 2799 2804 2805 +CONECT 2799 2798 2800 2806 2807 +CONECT 2800 2799 2808 +CONECT 2801 2797 +CONECT 2802 2797 +CONECT 2803 2797 +CONECT 2804 2798 +CONECT 2805 2798 +CONECT 2806 2799 +CONECT 2807 2799 +CONECT 2808 2800 +CONECT 2809 2810 2813 2814 2815 +CONECT 2810 2809 2811 2816 2817 +CONECT 2811 2810 2812 2818 2819 +CONECT 2812 2811 2820 +CONECT 2813 2809 +CONECT 2814 2809 +CONECT 2815 2809 +CONECT 2816 2810 +CONECT 2817 2810 +CONECT 2818 2811 +CONECT 2819 2811 +CONECT 2820 2812 +CONECT 2821 2822 2825 2826 2827 +CONECT 2822 2821 2823 2828 2829 +CONECT 2823 2822 2824 2830 2831 +CONECT 2824 2823 2832 +CONECT 2825 2821 +CONECT 2826 2821 +CONECT 2827 2821 +CONECT 2828 2822 +CONECT 2829 2822 +CONECT 2830 2823 +CONECT 2831 2823 +CONECT 2832 2824 +CONECT 2833 2834 2837 2838 2839 +CONECT 2834 2833 2835 2840 2841 +CONECT 2835 2834 2836 2842 2843 +CONECT 2836 2835 2844 +CONECT 2837 2833 +CONECT 2838 2833 +CONECT 2839 2833 +CONECT 2840 2834 +CONECT 2841 2834 +CONECT 2842 2835 +CONECT 2843 2835 +CONECT 2844 2836 +CONECT 2845 2846 2849 2850 2851 +CONECT 2846 2845 2847 2852 2853 +CONECT 2847 2846 2848 2854 2855 +CONECT 2848 2847 2856 +CONECT 2849 2845 +CONECT 2850 2845 +CONECT 2851 2845 +CONECT 2852 2846 +CONECT 2853 2846 +CONECT 2854 2847 +CONECT 2855 2847 +CONECT 2856 2848 +CONECT 2857 2858 2861 2862 2863 +CONECT 2858 2857 2859 2864 2865 +CONECT 2859 2858 2860 2866 2867 +CONECT 2860 2859 2868 +CONECT 2861 2857 +CONECT 2862 2857 +CONECT 2863 2857 +CONECT 2864 2858 +CONECT 2865 2858 +CONECT 2866 2859 +CONECT 2867 2859 +CONECT 2868 2860 +CONECT 2869 2870 2873 2874 2875 +CONECT 2870 2869 2871 2876 2877 +CONECT 2871 2870 2872 2878 2879 +CONECT 2872 2871 2880 +CONECT 2873 2869 +CONECT 2874 2869 +CONECT 2875 2869 +CONECT 2876 2870 +CONECT 2877 2870 +CONECT 2878 2871 +CONECT 2879 2871 +CONECT 2880 2872 +CONECT 2881 2882 2885 2886 2887 +CONECT 2882 2881 2883 2888 2889 +CONECT 2883 2882 2884 2890 2891 +CONECT 2884 2883 2892 +CONECT 2885 2881 +CONECT 2886 2881 +CONECT 2887 2881 +CONECT 2888 2882 +CONECT 2889 2882 +CONECT 2890 2883 +CONECT 2891 2883 +CONECT 2892 2884 +CONECT 2893 2894 2897 2898 2899 +CONECT 2894 2893 2895 2900 2901 +CONECT 2895 2894 2896 2902 2903 +CONECT 2896 2895 2904 +CONECT 2897 2893 +CONECT 2898 2893 +CONECT 2899 2893 +CONECT 2900 2894 +CONECT 2901 2894 +CONECT 2902 2895 +CONECT 2903 2895 +CONECT 2904 2896 +CONECT 2905 2906 2909 2910 2911 +CONECT 2906 2905 2907 2912 2913 +CONECT 2907 2906 2908 2914 2915 +CONECT 2908 2907 2916 +CONECT 2909 2905 +CONECT 2910 2905 +CONECT 2911 2905 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2907 +CONECT 2916 2908 +CONECT 2917 2918 2921 2922 2923 +CONECT 2918 2917 2919 2924 2925 +CONECT 2919 2918 2920 2926 2927 +CONECT 2920 2919 2928 +CONECT 2921 2917 +CONECT 2922 2917 +CONECT 2923 2917 +CONECT 2924 2918 +CONECT 2925 2918 +CONECT 2926 2919 +CONECT 2927 2919 +CONECT 2928 2920 +CONECT 2929 2930 2933 2934 2935 +CONECT 2930 2929 2931 2936 2937 +CONECT 2931 2930 2932 2938 2939 +CONECT 2932 2931 2940 +CONECT 2933 2929 +CONECT 2934 2929 +CONECT 2935 2929 +CONECT 2936 2930 +CONECT 2937 2930 +CONECT 2938 2931 +CONECT 2939 2931 +CONECT 2940 2932 +CONECT 2941 2942 2945 2946 2947 +CONECT 2942 2941 2943 2948 2949 +CONECT 2943 2942 2944 2950 2951 +CONECT 2944 2943 2952 +CONECT 2945 2941 +CONECT 2946 2941 +CONECT 2947 2941 +CONECT 2948 2942 +CONECT 2949 2942 +CONECT 2950 2943 +CONECT 2951 2943 +CONECT 2952 2944 +CONECT 2953 2954 2957 2958 2959 +CONECT 2954 2953 2955 2960 2961 +CONECT 2955 2954 2956 2962 2963 +CONECT 2956 2955 2964 +CONECT 2957 2953 +CONECT 2958 2953 +CONECT 2959 2953 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2955 +CONECT 2963 2955 +CONECT 2964 2956 +CONECT 2965 2966 2969 2970 2971 +CONECT 2966 2965 2967 2972 2973 +CONECT 2967 2966 2968 2974 2975 +CONECT 2968 2967 2976 +CONECT 2969 2965 +CONECT 2970 2965 +CONECT 2971 2965 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2967 +CONECT 2975 2967 +CONECT 2976 2968 +CONECT 2977 2978 2981 2982 2983 +CONECT 2978 2977 2979 2984 2985 +CONECT 2979 2978 2980 2986 2987 +CONECT 2980 2979 2988 +CONECT 2981 2977 +CONECT 2982 2977 +CONECT 2983 2977 +CONECT 2984 2978 +CONECT 2985 2978 +CONECT 2986 2979 +CONECT 2987 2979 +CONECT 2988 2980 +CONECT 2989 2990 2993 2994 2995 +CONECT 2990 2989 2991 2996 2997 +CONECT 2991 2990 2992 2998 2999 +CONECT 2992 2991 3000 +CONECT 2993 2989 +CONECT 2994 2989 +CONECT 2995 2989 +CONECT 2996 2990 +CONECT 2997 2990 +CONECT 2998 2991 +CONECT 2999 2991 +CONECT 3000 2992 +CONECT 3001 3002 3005 3006 3007 +CONECT 3002 3001 3003 3008 3009 +CONECT 3003 3002 3004 3010 3011 +CONECT 3004 3003 3012 +CONECT 3005 3001 +CONECT 3006 3001 +CONECT 3007 3001 +CONECT 3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/1|energy_minimisation_component_1_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/1|energy_minimisation_component_1_output.json new file mode 100644 index 00000000..b3ab896d --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/1|energy_minimisation_component_1_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_energy_minimisation_component_1/minimised.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/minimised.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/minimised.pdb new file mode 100644 index 00000000..dbfa1d86 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_component_1/minimised.pdb @@ -0,0 +1,772 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 24.056 24.056 24.056 90.00 90.00 90.00 P 1 1 +HETATM 1 O HOH A 1 8.185 8.377 8.797 1.00 0.00 O +HETATM 2 H1 HOH A 1 7.484 7.850 8.414 1.00 0.00 H +HETATM 3 H2 HOH A 1 7.847 9.272 8.784 1.00 0.00 H +HETATM 4 O HOH A 2 4.115 15.135 6.308 1.00 0.00 O +HETATM 5 H1 HOH A 2 4.220 14.467 5.630 1.00 0.00 H +HETATM 6 H2 HOH A 2 3.927 14.640 7.106 1.00 0.00 H +HETATM 7 O HOH A 3 3.269 16.109 18.830 1.00 0.00 O +HETATM 8 H1 HOH A 3 3.012 16.981 18.529 1.00 0.00 H +HETATM 9 H2 HOH A 3 4.139 16.232 19.208 1.00 0.00 H +HETATM 10 O HOH A 4 4.561 15.156 16.542 1.00 0.00 O +HETATM 11 H1 HOH A 4 4.036 15.406 17.303 1.00 0.00 H +HETATM 12 H2 HOH A 4 5.197 15.865 16.446 1.00 0.00 H +HETATM 13 O HOH A 5 9.350 18.994 5.167 1.00 0.00 O +HETATM 14 H1 HOH A 5 10.099 18.571 4.748 1.00 0.00 H +HETATM 15 H2 HOH A 5 9.328 18.625 6.050 1.00 0.00 H +HETATM 16 O HOH A 6 10.405 17.557 0.689 1.00 0.00 O +HETATM 17 H1 HOH A 6 10.525 16.821 1.290 1.00 0.00 H +HETATM 18 H2 HOH A 6 10.520 17.177 -0.182 1.00 0.00 H +HETATM 19 O HOH A 7 13.934 5.489 15.142 1.00 0.00 O +HETATM 20 H1 HOH A 7 13.713 4.964 15.912 1.00 0.00 H +HETATM 21 H2 HOH A 7 14.844 5.263 14.951 1.00 0.00 H +HETATM 22 O HOH A 8 18.487 17.925 14.384 1.00 0.00 O +HETATM 23 H1 HOH A 8 19.264 18.093 13.851 1.00 0.00 H +HETATM 24 H2 HOH A 8 18.313 16.991 14.267 1.00 0.00 H +HETATM 25 O HOH A 9 6.620 21.378 7.119 1.00 0.00 O +HETATM 26 H1 HOH A 9 6.460 20.785 6.385 1.00 0.00 H +HETATM 27 H2 HOH A 9 5.925 21.177 7.745 1.00 0.00 H +HETATM 28 O HOH A 10 22.089 8.951 5.666 1.00 0.00 O +HETATM 29 H1 HOH A 10 21.289 8.464 5.470 1.00 0.00 H +HETATM 30 H2 HOH A 10 21.782 9.785 6.021 1.00 0.00 H +HETATM 31 O HOH A 11 19.683 22.416 16.926 1.00 0.00 O +HETATM 32 H1 HOH A 11 18.762 22.504 17.171 1.00 0.00 H +HETATM 33 H2 HOH A 11 19.971 21.611 17.357 1.00 0.00 H +HETATM 34 O HOH A 12 11.855 10.538 4.091 1.00 0.00 O +HETATM 35 H1 HOH A 12 12.158 10.855 4.942 1.00 0.00 H +HETATM 36 H2 HOH A 12 12.656 10.429 3.578 1.00 0.00 H +HETATM 37 O HOH A 13 11.536 17.684 4.114 1.00 0.00 O +HETATM 38 H1 HOH A 13 11.257 16.997 3.508 1.00 0.00 H +HETATM 39 H2 HOH A 13 11.994 17.216 4.812 1.00 0.00 H +HETATM 40 O HOH A 14 5.643 9.429 10.801 1.00 0.00 O +HETATM 41 H1 HOH A 14 5.879 9.777 9.941 1.00 0.00 H +HETATM 42 H2 HOH A 14 4.715 9.207 10.723 1.00 0.00 H +HETATM 43 O HOH A 15 17.209 0.936 17.110 1.00 0.00 O +HETATM 44 H1 HOH A 15 17.460 1.010 16.189 1.00 0.00 H +HETATM 45 H2 HOH A 15 17.100 -0.004 17.254 1.00 0.00 H +HETATM 46 O HOH A 16 14.395 19.635 1.205 1.00 0.00 O +HETATM 47 H1 HOH A 16 14.685 20.236 0.518 1.00 0.00 H +HETATM 48 H2 HOH A 16 13.440 19.711 1.202 1.00 0.00 H +HETATM 49 O HOH A 17 18.031 18.265 18.986 1.00 0.00 O +HETATM 50 H1 HOH A 17 17.970 17.356 18.692 1.00 0.00 H +HETATM 51 H2 HOH A 17 17.215 18.669 18.688 1.00 0.00 H +HETATM 52 O HOH A 18 15.115 1.091 5.803 1.00 0.00 O +HETATM 53 H1 HOH A 18 14.432 0.973 5.142 1.00 0.00 H +HETATM 54 H2 HOH A 18 14.712 1.651 6.467 1.00 0.00 H +HETATM 55 O HOH A 19 15.226 4.311 20.981 1.00 0.00 O +HETATM 56 H1 HOH A 19 14.614 3.587 20.852 1.00 0.00 H +HETATM 57 H2 HOH A 19 15.625 4.443 20.121 1.00 0.00 H +HETATM 58 O HOH A 20 13.158 1.227 3.885 1.00 0.00 O +HETATM 59 H1 HOH A 20 13.484 1.525 3.035 1.00 0.00 H +HETATM 60 H2 HOH A 20 12.599 0.478 3.679 1.00 0.00 H +HETATM 61 O HOH A 21 19.351 12.678 5.265 1.00 0.00 O +HETATM 62 H1 HOH A 21 18.555 12.147 5.257 1.00 0.00 H +HETATM 63 H2 HOH A 21 19.957 12.193 5.825 1.00 0.00 H +HETATM 64 O HOH A 22 19.635 7.760 5.005 1.00 0.00 O +HETATM 65 H1 HOH A 22 19.620 8.062 4.097 1.00 0.00 H +HETATM 66 H2 HOH A 22 19.046 7.006 5.017 1.00 0.00 H +HETATM 67 O HOH A 23 15.774 7.622 13.681 1.00 0.00 O +HETATM 68 H1 HOH A 23 16.030 6.702 13.738 1.00 0.00 H +HETATM 69 H2 HOH A 23 14.817 7.603 13.653 1.00 0.00 H +HETATM 70 O HOH A 24 3.005 6.114 2.285 1.00 0.00 O +HETATM 71 H1 HOH A 24 3.053 6.638 3.085 1.00 0.00 H +HETATM 72 H2 HOH A 24 2.150 6.325 1.911 1.00 0.00 H +HETATM 73 O HOH A 25 5.050 20.360 1.421 1.00 0.00 O +HETATM 74 H1 HOH A 25 4.782 19.856 2.190 1.00 0.00 H +HETATM 75 H2 HOH A 25 4.424 20.111 0.742 1.00 0.00 H +HETATM 76 O HOH A 26 19.832 17.349 10.051 1.00 0.00 O +HETATM 77 H1 HOH A 26 19.826 18.009 9.358 1.00 0.00 H +HETATM 78 H2 HOH A 26 20.216 16.574 9.641 1.00 0.00 H +HETATM 79 O HOH A 27 9.612 10.189 16.337 1.00 0.00 O +HETATM 80 H1 HOH A 27 9.672 9.243 16.470 1.00 0.00 H +HETATM 81 H2 HOH A 27 8.677 10.382 16.412 1.00 0.00 H +HETATM 82 O HOH A 28 13.325 19.067 16.824 1.00 0.00 O +HETATM 83 H1 HOH A 28 12.375 19.141 16.921 1.00 0.00 H +HETATM 84 H2 HOH A 28 13.524 18.168 17.086 1.00 0.00 H +HETATM 85 O HOH A 29 16.769 19.265 12.663 1.00 0.00 O +HETATM 86 H1 HOH A 29 17.270 18.802 13.335 1.00 0.00 H +HETATM 87 H2 HOH A 29 16.011 19.617 13.129 1.00 0.00 H +HETATM 88 O HOH A 30 15.051 3.321 10.052 1.00 0.00 O +HETATM 89 H1 HOH A 30 14.522 4.107 10.185 1.00 0.00 H +HETATM 90 H2 HOH A 30 14.727 2.701 10.705 1.00 0.00 H +HETATM 91 O HOH A 31 6.269 13.276 9.198 1.00 0.00 O +HETATM 92 H1 HOH A 31 5.363 13.456 8.946 1.00 0.00 H +HETATM 93 H2 HOH A 31 6.772 13.403 8.393 1.00 0.00 H +HETATM 94 O HOH A 32 20.045 20.028 18.212 1.00 0.00 O +HETATM 95 H1 HOH A 32 20.817 19.600 18.583 1.00 0.00 H +HETATM 96 H2 HOH A 32 19.318 19.448 18.437 1.00 0.00 H +HETATM 97 O HOH A 33 3.684 21.212 17.378 1.00 0.00 O +HETATM 98 H1 HOH A 33 3.628 21.986 17.938 1.00 0.00 H +HETATM 99 H2 HOH A 33 4.574 21.234 17.026 1.00 0.00 H +HETATM 100 O HOH A 34 3.161 18.168 14.910 1.00 0.00 O +HETATM 101 H1 HOH A 34 3.960 18.330 14.410 1.00 0.00 H +HETATM 102 H2 HOH A 34 2.494 18.702 14.477 1.00 0.00 H +HETATM 103 O HOH A 35 14.217 2.305 1.639 1.00 0.00 O +HETATM 104 H1 HOH A 35 14.162 3.260 1.673 1.00 0.00 H +HETATM 105 H2 HOH A 35 15.117 2.127 1.365 1.00 0.00 H +HETATM 106 O HOH A 36 14.697 1.754 17.830 1.00 0.00 O +HETATM 107 H1 HOH A 36 15.596 1.560 17.566 1.00 0.00 H +HETATM 108 H2 HOH A 36 14.201 0.972 17.587 1.00 0.00 H +HETATM 109 O HOH A 37 2.285 4.626 7.731 1.00 0.00 O +HETATM 110 H1 HOH A 37 1.881 3.760 7.777 1.00 0.00 H +HETATM 111 H2 HOH A 37 2.696 4.654 6.867 1.00 0.00 H +HETATM 112 O HOH A 38 8.344 13.218 1.852 1.00 0.00 O +HETATM 113 H1 HOH A 38 8.587 12.674 1.103 1.00 0.00 H +HETATM 114 H2 HOH A 38 9.054 13.092 2.481 1.00 0.00 H +HETATM 115 O HOH A 39 10.688 4.970 16.634 1.00 0.00 O +HETATM 116 H1 HOH A 39 11.572 4.789 16.953 1.00 0.00 H +HETATM 117 H2 HOH A 39 10.640 4.517 15.792 1.00 0.00 H +HETATM 118 O HOH A 40 14.359 11.756 20.991 1.00 0.00 O +HETATM 119 H1 HOH A 40 15.256 11.510 21.216 1.00 0.00 H +HETATM 120 H2 HOH A 40 14.440 12.234 20.166 1.00 0.00 H +HETATM 121 O HOH A 41 3.593 6.663 14.202 1.00 0.00 O +HETATM 122 H1 HOH A 41 3.661 5.966 14.855 1.00 0.00 H +HETATM 123 H2 HOH A 41 3.655 6.211 13.361 1.00 0.00 H +HETATM 124 O HOH A 42 10.610 19.036 17.387 1.00 0.00 O +HETATM 125 H1 HOH A 42 10.914 18.966 18.292 1.00 0.00 H +HETATM 126 H2 HOH A 42 10.033 18.282 17.269 1.00 0.00 H +HETATM 127 O HOH A 43 5.599 8.581 14.429 1.00 0.00 O +HETATM 128 H1 HOH A 43 6.115 8.214 13.711 1.00 0.00 H +HETATM 129 H2 HOH A 43 4.936 7.915 14.612 1.00 0.00 H +HETATM 130 O HOH A 44 18.256 10.867 19.180 1.00 0.00 O +HETATM 131 H1 HOH A 44 17.797 10.041 19.026 1.00 0.00 H +HETATM 132 H2 HOH A 44 19.177 10.664 19.018 1.00 0.00 H +HETATM 133 O HOH A 45 13.232 4.031 17.371 1.00 0.00 O +HETATM 134 H1 HOH A 45 13.258 4.582 18.152 1.00 0.00 H +HETATM 135 H2 HOH A 45 13.852 3.324 17.555 1.00 0.00 H +HETATM 136 O HOH A 46 9.747 9.492 13.610 1.00 0.00 O +HETATM 137 H1 HOH A 46 9.699 10.041 14.392 1.00 0.00 H +HETATM 138 H2 HOH A 46 9.207 9.948 12.963 1.00 0.00 H +HETATM 139 O HOH A 47 2.812 12.906 16.503 1.00 0.00 O +HETATM 140 H1 HOH A 47 3.428 13.623 16.348 1.00 0.00 H +HETATM 141 H2 HOH A 47 2.621 12.562 15.630 1.00 0.00 H +HETATM 142 O HOH A 48 2.537 17.891 9.558 1.00 0.00 O +HETATM 143 H1 HOH A 48 2.827 18.503 10.235 1.00 0.00 H +HETATM 144 H2 HOH A 48 2.621 18.381 8.740 1.00 0.00 H +HETATM 145 O HOH A 49 20.632 10.957 7.072 1.00 0.00 O +HETATM 146 H1 HOH A 49 20.214 10.118 7.269 1.00 0.00 H +HETATM 147 H2 HOH A 49 20.672 11.409 7.915 1.00 0.00 H +HETATM 148 O HOH A 50 9.883 20.956 3.204 1.00 0.00 O +HETATM 149 H1 HOH A 50 9.656 20.417 3.962 1.00 0.00 H +HETATM 150 H2 HOH A 50 9.061 21.050 2.722 1.00 0.00 H +HETATM 151 O HOH A 51 5.572 4.525 15.720 1.00 0.00 O +HETATM 152 H1 HOH A 51 5.036 4.046 15.088 1.00 0.00 H +HETATM 153 H2 HOH A 51 6.444 4.549 15.326 1.00 0.00 H +HETATM 154 O HOH A 52 18.509 3.395 5.683 1.00 0.00 O +HETATM 155 H1 HOH A 52 18.262 4.247 5.324 1.00 0.00 H +HETATM 156 H2 HOH A 52 19.278 3.576 6.223 1.00 0.00 H +HETATM 157 O HOH A 53 11.344 14.185 5.848 1.00 0.00 O +HETATM 158 H1 HOH A 53 11.981 14.893 5.942 1.00 0.00 H +HETATM 159 H2 HOH A 53 10.506 14.584 6.082 1.00 0.00 H +HETATM 160 O HOH A 54 10.064 5.577 6.897 1.00 0.00 O +HETATM 161 H1 HOH A 54 10.076 5.639 5.942 1.00 0.00 H +HETATM 162 H2 HOH A 54 10.339 6.443 7.197 1.00 0.00 H +HETATM 163 O HOH A 55 10.491 15.613 2.613 1.00 0.00 O +HETATM 164 H1 HOH A 55 9.626 15.743 3.002 1.00 0.00 H +HETATM 165 H2 HOH A 55 10.672 14.681 2.737 1.00 0.00 H +HETATM 166 O HOH A 56 5.661 16.904 1.806 1.00 0.00 O +HETATM 167 H1 HOH A 56 6.453 17.407 1.615 1.00 0.00 H +HETATM 168 H2 HOH A 56 5.125 17.494 2.337 1.00 0.00 H +HETATM 169 O HOH A 57 -0.673 9.434 18.469 1.00 0.00 O +HETATM 170 H1 HOH A 57 -0.015 10.120 18.357 1.00 0.00 H +HETATM 171 H2 HOH A 57 -0.166 8.639 18.633 1.00 0.00 H +HETATM 172 O HOH A 58 12.353 12.853 11.728 1.00 0.00 O +HETATM 173 H1 HOH A 58 13.208 12.557 12.041 1.00 0.00 H +HETATM 174 H2 HOH A 58 12.334 12.600 10.805 1.00 0.00 H +HETATM 175 O HOH A 59 19.230 4.964 15.024 1.00 0.00 O +HETATM 176 H1 HOH A 59 19.589 4.202 15.479 1.00 0.00 H +HETATM 177 H2 HOH A 59 19.827 5.110 14.290 1.00 0.00 H +HETATM 178 O HOH A 60 10.984 1.909 19.232 1.00 0.00 O +HETATM 179 H1 HOH A 60 11.149 1.579 18.348 1.00 0.00 H +HETATM 180 H2 HOH A 60 10.235 2.496 19.133 1.00 0.00 H +HETATM 181 O HOH A 61 8.907 20.494 8.330 1.00 0.00 O +HETATM 182 H1 HOH A 61 8.317 21.015 7.785 1.00 0.00 H +HETATM 183 H2 HOH A 61 9.785 20.779 8.075 1.00 0.00 H +HETATM 184 O HOH A 62 17.719 5.848 4.640 1.00 0.00 O +HETATM 185 H1 HOH A 62 17.503 5.791 3.709 1.00 0.00 H +HETATM 186 H2 HOH A 62 16.876 5.985 5.073 1.00 0.00 H +HETATM 187 O HOH A 63 16.757 5.810 2.045 1.00 0.00 O +HETATM 188 H1 HOH A 63 15.872 5.457 2.139 1.00 0.00 H +HETATM 189 H2 HOH A 63 17.208 5.179 1.484 1.00 0.00 H +HETATM 190 O HOH A 64 14.028 2.912 7.502 1.00 0.00 O +HETATM 191 H1 HOH A 64 14.579 3.008 8.278 1.00 0.00 H +HETATM 192 H2 HOH A 64 13.157 3.182 7.791 1.00 0.00 H +HETATM 193 O HOH A 65 17.455 16.832 11.352 1.00 0.00 O +HETATM 194 H1 HOH A 65 17.088 17.692 11.558 1.00 0.00 H +HETATM 195 H2 HOH A 65 18.244 17.024 10.846 1.00 0.00 H +HETATM 196 O HOH A 66 2.399 3.875 18.415 1.00 0.00 O +HETATM 197 H1 HOH A 66 1.477 4.041 18.222 1.00 0.00 H +HETATM 198 H2 HOH A 66 2.692 4.659 18.881 1.00 0.00 H +HETATM 199 O HOH A 67 4.792 20.455 9.091 1.00 0.00 O +HETATM 200 H1 HOH A 67 4.225 20.064 8.426 1.00 0.00 H +HETATM 201 H2 HOH A 67 4.303 20.363 9.909 1.00 0.00 H +HETATM 202 O HOH A 68 14.533 7.727 2.992 1.00 0.00 O +HETATM 203 H1 HOH A 68 15.399 7.622 2.597 1.00 0.00 H +HETATM 204 H2 HOH A 68 14.288 8.632 2.796 1.00 0.00 H +HETATM 205 O HOH A 69 12.824 16.449 6.173 1.00 0.00 O +HETATM 206 H1 HOH A 69 12.563 16.955 6.942 1.00 0.00 H +HETATM 207 H2 HOH A 69 13.728 16.715 6.006 1.00 0.00 H +HETATM 208 O HOH A 70 17.898 15.351 13.594 1.00 0.00 O +HETATM 209 H1 HOH A 70 17.851 14.416 13.396 1.00 0.00 H +HETATM 210 H2 HOH A 70 17.679 15.783 12.768 1.00 0.00 H +HETATM 211 O HOH A 71 10.257 13.235 13.406 1.00 0.00 O +HETATM 212 H1 HOH A 71 10.715 13.087 14.234 1.00 0.00 H +HETATM 213 H2 HOH A 71 10.927 13.106 12.735 1.00 0.00 H +HETATM 214 O HOH A 72 3.726 5.360 11.728 1.00 0.00 O +HETATM 215 H1 HOH A 72 4.517 5.408 11.190 1.00 0.00 H +HETATM 216 H2 HOH A 72 3.022 5.648 11.147 1.00 0.00 H +HETATM 217 O HOH A 73 3.783 -0.594 18.936 1.00 0.00 O +HETATM 218 H1 HOH A 73 4.102 0.306 18.872 1.00 0.00 H +HETATM 219 H2 HOH A 73 3.368 -0.641 19.797 1.00 0.00 H +HETATM 220 O HOH A 74 8.021 18.293 1.853 1.00 0.00 O +HETATM 221 H1 HOH A 74 8.831 18.104 1.380 1.00 0.00 H +HETATM 222 H2 HOH A 74 7.909 19.240 1.768 1.00 0.00 H +HETATM 223 O HOH A 75 14.866 10.924 -0.320 1.00 0.00 O +HETATM 224 H1 HOH A 75 15.710 10.823 -0.760 1.00 0.00 H +HETATM 225 H2 HOH A 75 14.277 11.245 -1.003 1.00 0.00 H +HETATM 226 O HOH A 76 18.078 18.891 -0.353 1.00 0.00 O +HETATM 227 H1 HOH A 76 18.957 18.840 0.021 1.00 0.00 H +HETATM 228 H2 HOH A 76 17.513 18.482 0.303 1.00 0.00 H +HETATM 229 O HOH A 77 18.496 6.427 17.229 1.00 0.00 O +HETATM 230 H1 HOH A 77 17.917 7.100 16.869 1.00 0.00 H +HETATM 231 H2 HOH A 77 18.840 5.971 16.461 1.00 0.00 H +HETATM 232 O HOH A 78 15.399 10.247 12.902 1.00 0.00 O +HETATM 233 H1 HOH A 78 15.573 9.329 13.109 1.00 0.00 H +HETATM 234 H2 HOH A 78 15.833 10.736 13.601 1.00 0.00 H +HETATM 235 O HOH A 79 11.729 19.854 1.451 1.00 0.00 O +HETATM 236 H1 HOH A 79 11.139 20.259 2.086 1.00 0.00 H +HETATM 237 H2 HOH A 79 11.252 19.086 1.136 1.00 0.00 H +HETATM 238 O HOH A 80 6.490 10.596 8.544 1.00 0.00 O +HETATM 239 H1 HOH A 80 6.567 11.475 8.916 1.00 0.00 H +HETATM 240 H2 HOH A 80 6.185 10.741 7.649 1.00 0.00 H +HETATM 241 O HOH A 81 10.820 8.078 7.675 1.00 0.00 O +HETATM 242 H1 HOH A 81 10.069 8.395 8.176 1.00 0.00 H +HETATM 243 H2 HOH A 81 11.569 8.211 8.256 1.00 0.00 H +HETATM 244 O HOH A 82 13.806 16.590 17.949 1.00 0.00 O +HETATM 245 H1 HOH A 82 13.460 15.708 17.811 1.00 0.00 H +HETATM 246 H2 HOH A 82 14.751 16.465 18.038 1.00 0.00 H +HETATM 247 O HOH A 83 20.491 2.523 19.114 1.00 0.00 O +HETATM 248 H1 HOH A 83 19.534 2.508 19.152 1.00 0.00 H +HETATM 249 H2 HOH A 83 20.758 1.672 19.460 1.00 0.00 H +HETATM 250 O HOH A 84 17.503 20.290 15.514 1.00 0.00 O +HETATM 251 H1 HOH A 84 17.865 19.416 15.366 1.00 0.00 H +HETATM 252 H2 HOH A 84 18.053 20.869 14.986 1.00 0.00 H +HETATM 253 O HOH A 85 8.987 15.508 6.240 1.00 0.00 O +HETATM 254 H1 HOH A 85 8.637 15.790 5.395 1.00 0.00 H +HETATM 255 H2 HOH A 85 8.885 16.271 6.808 1.00 0.00 H +HETATM 256 O HOH A 86 16.755 8.194 16.170 1.00 0.00 O +HETATM 257 H1 HOH A 86 16.347 7.951 15.339 1.00 0.00 H +HETATM 258 H2 HOH A 86 16.133 8.800 16.574 1.00 0.00 H +HETATM 259 O HOH A 87 6.602 17.478 9.465 1.00 0.00 O +HETATM 260 H1 HOH A 87 6.048 17.021 10.098 1.00 0.00 H +HETATM 261 H2 HOH A 87 6.793 18.321 9.878 1.00 0.00 H +HETATM 262 O HOH A 88 5.935 6.087 21.464 1.00 0.00 O +HETATM 263 H1 HOH A 88 6.010 5.133 21.498 1.00 0.00 H +HETATM 264 H2 HOH A 88 5.138 6.247 20.958 1.00 0.00 H +HETATM 265 O HOH A 89 15.978 21.657 19.737 1.00 0.00 O +HETATM 266 H1 HOH A 89 16.526 21.126 20.314 1.00 0.00 H +HETATM 267 H2 HOH A 89 15.492 22.231 20.328 1.00 0.00 H +HETATM 268 O HOH A 90 10.267 7.204 2.313 1.00 0.00 O +HETATM 269 H1 HOH A 90 9.364 6.902 2.412 1.00 0.00 H +HETATM 270 H2 HOH A 90 10.510 7.523 3.182 1.00 0.00 H +HETATM 271 O HOH A 91 21.011 2.307 9.523 1.00 0.00 O +HETATM 272 H1 HOH A 91 21.703 1.675 9.714 1.00 0.00 H +HETATM 273 H2 HOH A 91 20.203 1.794 9.545 1.00 0.00 H +HETATM 274 O HOH A 92 7.661 21.026 1.554 1.00 0.00 O +HETATM 275 H1 HOH A 92 6.718 20.858 1.576 1.00 0.00 H +HETATM 276 H2 HOH A 92 7.770 21.692 0.875 1.00 0.00 H +HETATM 277 O HOH A 93 17.094 1.756 3.984 1.00 0.00 O +HETATM 278 H1 HOH A 93 17.672 2.303 4.516 1.00 0.00 H +HETATM 279 H2 HOH A 93 16.405 1.478 4.588 1.00 0.00 H +HETATM 280 O HOH A 94 12.327 9.152 16.411 1.00 0.00 O +HETATM 281 H1 HOH A 94 12.136 8.676 17.218 1.00 0.00 H +HETATM 282 H2 HOH A 94 11.549 9.688 16.258 1.00 0.00 H +HETATM 283 O HOH A 95 2.852 7.351 4.790 1.00 0.00 O +HETATM 284 H1 HOH A 95 2.055 7.589 5.263 1.00 0.00 H +HETATM 285 H2 HOH A 95 3.526 7.927 5.151 1.00 0.00 H +HETATM 286 O HOH A 96 15.385 23.028 14.846 1.00 0.00 O +HETATM 287 H1 HOH A 96 14.564 22.536 14.853 1.00 0.00 H +HETATM 288 H2 HOH A 96 15.822 22.777 15.660 1.00 0.00 H +HETATM 289 O HOH A 97 14.118 9.440 19.498 1.00 0.00 O +HETATM 290 H1 HOH A 97 13.988 10.142 20.137 1.00 0.00 H +HETATM 291 H2 HOH A 97 13.257 9.031 19.413 1.00 0.00 H +HETATM 292 O HOH A 98 16.959 12.074 10.256 1.00 0.00 O +HETATM 293 H1 HOH A 98 16.909 12.960 9.897 1.00 0.00 H +HETATM 294 H2 HOH A 98 17.102 12.203 11.194 1.00 0.00 H +HETATM 295 O HOH A 99 14.866 10.087 16.985 1.00 0.00 O +HETATM 296 H1 HOH A 99 14.048 9.853 16.546 1.00 0.00 H +HETATM 297 H2 HOH A 99 14.743 9.803 17.890 1.00 0.00 H +HETATM 298 O HOH A 100 6.660 14.240 11.712 1.00 0.00 O +HETATM 299 H1 HOH A 100 6.828 13.495 12.291 1.00 0.00 H +HETATM 300 H2 HOH A 100 6.593 13.854 10.839 1.00 0.00 H +HETATM 301 O HOH A 101 17.511 0.602 14.390 1.00 0.00 O +HETATM 302 H1 HOH A 101 16.710 0.078 14.405 1.00 0.00 H +HETATM 303 H2 HOH A 101 17.275 1.386 13.894 1.00 0.00 H +HETATM 304 O HOH A 102 10.329 1.199 12.994 1.00 0.00 O +HETATM 305 H1 HOH A 102 9.503 0.963 12.571 1.00 0.00 H +HETATM 306 H2 HOH A 102 11.000 0.993 12.342 1.00 0.00 H +HETATM 307 O HOH A 103 9.173 3.933 18.772 1.00 0.00 O +HETATM 308 H1 HOH A 103 8.245 3.782 18.591 1.00 0.00 H +HETATM 309 H2 HOH A 103 9.508 4.348 17.977 1.00 0.00 H +HETATM 310 O HOH A 104 20.193 4.697 10.642 1.00 0.00 O +HETATM 311 H1 HOH A 104 19.269 4.466 10.738 1.00 0.00 H +HETATM 312 H2 HOH A 104 20.619 3.880 10.383 1.00 0.00 H +HETATM 313 O HOH A 105 6.560 3.483 18.137 1.00 0.00 O +HETATM 314 H1 HOH A 105 6.155 3.803 17.330 1.00 0.00 H +HETATM 315 H2 HOH A 105 5.898 2.911 18.526 1.00 0.00 H +HETATM 316 O HOH A 106 2.114 13.590 19.092 1.00 0.00 O +HETATM 317 H1 HOH A 106 2.317 13.408 18.174 1.00 0.00 H +HETATM 318 H2 HOH A 106 2.423 14.485 19.233 1.00 0.00 H +HETATM 319 O HOH A 107 2.995 19.403 7.267 1.00 0.00 O +HETATM 320 H1 HOH A 107 3.086 18.703 6.620 1.00 0.00 H +HETATM 321 H2 HOH A 107 2.446 20.058 6.836 1.00 0.00 H +HETATM 322 O HOH A 108 17.765 3.293 10.564 1.00 0.00 O +HETATM 323 H1 HOH A 108 16.904 3.413 10.165 1.00 0.00 H +HETATM 324 H2 HOH A 108 18.091 2.474 10.192 1.00 0.00 H +HETATM 325 O HOH A 109 10.589 20.529 15.024 1.00 0.00 O +HETATM 326 H1 HOH A 109 9.804 20.291 14.532 1.00 0.00 H +HETATM 327 H2 HOH A 109 10.495 20.075 15.862 1.00 0.00 H +HETATM 328 O HOH A 110 21.054 6.479 8.760 1.00 0.00 O +HETATM 329 H1 HOH A 110 21.978 6.679 8.909 1.00 0.00 H +HETATM 330 H2 HOH A 110 20.783 5.999 9.543 1.00 0.00 H +HETATM 331 O HOH A 111 19.185 10.428 16.125 1.00 0.00 O +HETATM 332 H1 HOH A 111 19.835 10.940 15.645 1.00 0.00 H +HETATM 333 H2 HOH A 111 19.661 10.083 16.881 1.00 0.00 H +HETATM 334 O HOH A 112 0.173 19.009 17.208 1.00 0.00 O +HETATM 335 H1 HOH A 112 1.061 18.776 17.479 1.00 0.00 H +HETATM 336 H2 HOH A 112 -0.326 18.198 17.300 1.00 0.00 H +HETATM 337 O HOH A 113 13.637 3.816 4.914 1.00 0.00 O +HETATM 338 H1 HOH A 113 13.833 3.600 5.826 1.00 0.00 H +HETATM 339 H2 HOH A 113 13.348 2.989 4.529 1.00 0.00 H +HETATM 340 O HOH A 114 11.715 17.565 19.537 1.00 0.00 O +HETATM 341 H1 HOH A 114 12.535 17.349 19.092 1.00 0.00 H +HETATM 342 H2 HOH A 114 11.261 16.727 19.623 1.00 0.00 H +HETATM 343 O HOH A 115 16.555 5.057 14.344 1.00 0.00 O +HETATM 344 H1 HOH A 115 17.454 5.089 14.672 1.00 0.00 H +HETATM 345 H2 HOH A 115 16.498 4.222 13.880 1.00 0.00 H +HETATM 346 O HOH A 116 3.436 19.759 11.408 1.00 0.00 O +HETATM 347 H1 HOH A 116 2.659 19.854 11.960 1.00 0.00 H +HETATM 348 H2 HOH A 116 4.126 19.482 12.011 1.00 0.00 H +HETATM 349 O HOH A 117 13.147 21.464 15.411 1.00 0.00 O +HETATM 350 H1 HOH A 117 13.417 20.662 15.858 1.00 0.00 H +HETATM 351 H2 HOH A 117 12.252 21.288 15.122 1.00 0.00 H +HETATM 352 O HOH A 118 -0.322 7.465 8.713 1.00 0.00 O +HETATM 353 H1 HOH A 118 -0.031 7.443 7.801 1.00 0.00 H +HETATM 354 H2 HOH A 118 -0.486 8.392 8.890 1.00 0.00 H +HETATM 355 O HOH A 119 2.313 8.268 18.662 1.00 0.00 O +HETATM 356 H1 HOH A 119 2.934 8.097 17.954 1.00 0.00 H +HETATM 357 H2 HOH A 119 2.144 9.208 18.612 1.00 0.00 H +HETATM 358 O HOH A 120 18.159 6.861 -0.227 1.00 0.00 O +HETATM 359 H1 HOH A 120 18.395 5.935 -0.281 1.00 0.00 H +HETATM 360 H2 HOH A 120 17.634 6.928 0.570 1.00 0.00 H +HETATM 361 O HOH A 121 20.295 2.846 16.334 1.00 0.00 O +HETATM 362 H1 HOH A 121 20.266 1.912 16.126 1.00 0.00 H +HETATM 363 H2 HOH A 121 20.489 2.877 17.271 1.00 0.00 H +HETATM 364 O HOH A 122 16.847 10.796 21.640 1.00 0.00 O +HETATM 365 H1 HOH A 122 17.131 9.886 21.734 1.00 0.00 H +HETATM 366 H2 HOH A 122 17.424 11.159 20.968 1.00 0.00 H +HETATM 367 O HOH A 123 16.942 1.718 1.331 1.00 0.00 O +HETATM 368 H1 HOH A 123 17.231 0.833 1.106 1.00 0.00 H +HETATM 369 H2 HOH A 123 17.011 1.757 2.285 1.00 0.00 H +HETATM 370 O HOH A 124 14.807 10.263 10.262 1.00 0.00 O +HETATM 371 H1 HOH A 124 15.547 10.810 9.997 1.00 0.00 H +HETATM 372 H2 HOH A 124 14.897 10.181 11.211 1.00 0.00 H +HETATM 373 O HOH A 125 12.983 7.736 13.987 1.00 0.00 O +HETATM 374 H1 HOH A 125 12.683 8.283 14.713 1.00 0.00 H +HETATM 375 H2 HOH A 125 13.144 6.880 14.382 1.00 0.00 H +HETATM 376 O HOH A 126 17.455 1.362 7.262 1.00 0.00 O +HETATM 377 H1 HOH A 126 17.826 2.077 6.745 1.00 0.00 H +HETATM 378 H2 HOH A 126 16.657 1.116 6.793 1.00 0.00 H +HETATM 379 O HOH A 127 16.757 11.236 15.176 1.00 0.00 O +HETATM 380 H1 HOH A 127 17.581 10.865 15.492 1.00 0.00 H +HETATM 381 H2 HOH A 127 16.101 10.930 15.802 1.00 0.00 H +HETATM 382 O HOH A 128 10.598 3.503 14.297 1.00 0.00 O +HETATM 383 H1 HOH A 128 10.485 2.638 13.904 1.00 0.00 H +HETATM 384 H2 HOH A 128 10.892 4.058 13.574 1.00 0.00 H +HETATM 385 O HOH A 129 7.989 4.469 14.411 1.00 0.00 O +HETATM 386 H1 HOH A 129 8.228 5.372 14.202 1.00 0.00 H +HETATM 387 H2 HOH A 129 8.826 4.016 14.513 1.00 0.00 H +HETATM 388 O HOH A 130 3.557 6.061 19.819 1.00 0.00 O +HETATM 389 H1 HOH A 130 2.962 6.810 19.784 1.00 0.00 H +HETATM 390 H2 HOH A 130 4.083 6.135 19.022 1.00 0.00 H +HETATM 391 O HOH A 131 6.610 7.335 12.174 1.00 0.00 O +HETATM 392 H1 HOH A 131 6.459 6.610 11.568 1.00 0.00 H +HETATM 393 H2 HOH A 131 6.323 8.112 11.694 1.00 0.00 H +HETATM 394 O HOH A 132 4.333 2.138 19.249 1.00 0.00 O +HETATM 395 H1 HOH A 132 4.368 2.520 20.126 1.00 0.00 H +HETATM 396 H2 HOH A 132 3.627 2.611 18.809 1.00 0.00 H +HETATM 397 O HOH A 133 19.072 15.068 3.900 1.00 0.00 O +HETATM 398 H1 HOH A 133 19.092 14.299 4.469 1.00 0.00 H +HETATM 399 H2 HOH A 133 19.856 14.986 3.357 1.00 0.00 H +HETATM 400 O HOH A 134 6.559 13.381 15.951 1.00 0.00 O +HETATM 401 H1 HOH A 134 5.790 13.938 16.071 1.00 0.00 H +HETATM 402 H2 HOH A 134 6.640 12.903 16.777 1.00 0.00 H +HETATM 403 O HOH A 135 20.915 11.847 14.627 1.00 0.00 O +HETATM 404 H1 HOH A 135 20.635 11.574 13.753 1.00 0.00 H +HETATM 405 H2 HOH A 135 21.744 12.303 14.481 1.00 0.00 H +HETATM 406 O HOH A 136 10.846 4.557 11.716 1.00 0.00 O +HETATM 407 H1 HOH A 136 10.284 5.290 11.462 1.00 0.00 H +HETATM 408 H2 HOH A 136 10.513 3.814 11.213 1.00 0.00 H +HETATM 409 O HOH A 137 6.781 10.463 20.451 1.00 0.00 O +HETATM 410 H1 HOH A 137 7.208 9.609 20.515 1.00 0.00 H +HETATM 411 H2 HOH A 137 6.014 10.391 21.020 1.00 0.00 H +HETATM 412 O HOH A 138 4.092 3.462 13.638 1.00 0.00 O +HETATM 413 H1 HOH A 138 3.315 2.904 13.671 1.00 0.00 H +HETATM 414 H2 HOH A 138 3.919 4.070 12.919 1.00 0.00 H +HETATM 415 O HOH A 139 9.427 6.698 10.570 1.00 0.00 O +HETATM 416 H1 HOH A 139 8.952 7.359 10.066 1.00 0.00 H +HETATM 417 H2 HOH A 139 10.117 7.189 11.018 1.00 0.00 H +HETATM 418 O HOH A 140 5.938 5.649 10.089 1.00 0.00 O +HETATM 419 H1 HOH A 140 5.794 6.238 9.348 1.00 0.00 H +HETATM 420 H2 HOH A 140 6.649 5.075 9.804 1.00 0.00 H +HETATM 421 O HOH A 141 4.109 5.140 -0.150 1.00 0.00 O +HETATM 422 H1 HOH A 141 3.797 5.372 0.724 1.00 0.00 H +HETATM 423 H2 HOH A 141 4.784 5.789 -0.345 1.00 0.00 H +HETATM 424 O HOH A 142 1.937 6.305 9.836 1.00 0.00 O +HETATM 425 H1 HOH A 142 1.075 6.652 9.607 1.00 0.00 H +HETATM 426 H2 HOH A 142 2.168 5.733 9.104 1.00 0.00 H +HETATM 427 O HOH A 143 10.562 12.944 3.496 1.00 0.00 O +HETATM 428 H1 HOH A 143 10.884 12.044 3.544 1.00 0.00 H +HETATM 429 H2 HOH A 143 10.814 13.335 4.333 1.00 0.00 H +HETATM 430 O HOH A 144 14.228 1.539 12.062 1.00 0.00 O +HETATM 431 H1 HOH A 144 14.241 0.905 12.779 1.00 0.00 H +HETATM 432 H2 HOH A 144 13.406 1.366 11.604 1.00 0.00 H +HETATM 433 O HOH A 145 5.101 16.431 11.518 1.00 0.00 O +HETATM 434 H1 HOH A 145 5.595 15.621 11.644 1.00 0.00 H +HETATM 435 H2 HOH A 145 4.192 16.186 11.691 1.00 0.00 H +HETATM 436 O HOH A 146 17.916 4.053 0.313 1.00 0.00 O +HETATM 437 H1 HOH A 146 17.632 3.221 0.692 1.00 0.00 H +HETATM 438 H2 HOH A 146 17.972 3.882 -0.627 1.00 0.00 H +HETATM 439 O HOH A 147 17.478 13.038 17.651 1.00 0.00 O +HETATM 440 H1 HOH A 147 17.746 12.743 16.780 1.00 0.00 H +HETATM 441 H2 HOH A 147 17.847 12.388 18.249 1.00 0.00 H +HETATM 442 O HOH A 148 17.825 8.263 21.520 1.00 0.00 O +HETATM 443 H1 HOH A 148 18.530 7.979 20.939 1.00 0.00 H +HETATM 444 H2 HOH A 148 17.982 7.789 22.337 1.00 0.00 H +HETATM 445 O HOH A 149 5.079 8.809 5.654 1.00 0.00 O +HETATM 446 H1 HOH A 149 5.792 8.611 5.047 1.00 0.00 H +HETATM 447 H2 HOH A 149 5.177 9.742 5.845 1.00 0.00 H +HETATM 448 O HOH A 150 18.931 19.285 5.497 1.00 0.00 O +HETATM 449 H1 HOH A 150 18.511 18.546 5.058 1.00 0.00 H +HETATM 450 H2 HOH A 150 18.628 20.054 5.014 1.00 0.00 H +HETATM 451 O HOH A 151 18.882 20.942 11.912 1.00 0.00 O +HETATM 452 H1 HOH A 151 18.965 21.507 12.680 1.00 0.00 H +HETATM 453 H2 HOH A 151 18.041 20.499 12.030 1.00 0.00 H +HETATM 454 O HOH A 152 17.701 12.625 12.921 1.00 0.00 O +HETATM 455 H1 HOH A 152 18.509 12.134 12.774 1.00 0.00 H +HETATM 456 H2 HOH A 152 17.327 12.241 13.714 1.00 0.00 H +HETATM 457 O HOH A 153 22.811 19.130 13.547 1.00 0.00 O +HETATM 458 H1 HOH A 153 22.529 19.476 14.394 1.00 0.00 H +HETATM 459 H2 HOH A 153 21.997 18.917 13.092 1.00 0.00 H +HETATM 460 O HOH A 154 12.540 11.474 9.292 1.00 0.00 O +HETATM 461 H1 HOH A 154 11.795 10.972 9.624 1.00 0.00 H +HETATM 462 H2 HOH A 154 13.308 10.979 9.574 1.00 0.00 H +HETATM 463 O HOH A 155 3.333 4.700 5.146 1.00 0.00 O +HETATM 464 H1 HOH A 155 3.247 4.342 4.263 1.00 0.00 H +HETATM 465 H2 HOH A 155 3.171 5.638 5.042 1.00 0.00 H +HETATM 466 O HOH A 156 9.670 11.442 7.739 1.00 0.00 O +HETATM 467 H1 HOH A 156 9.842 11.031 8.586 1.00 0.00 H +HETATM 468 H2 HOH A 156 10.492 11.351 7.257 1.00 0.00 H +HETATM 469 O HOH A 157 13.206 -0.347 17.071 1.00 0.00 O +HETATM 470 H1 HOH A 157 12.489 0.210 16.768 1.00 0.00 H +HETATM 471 H2 HOH A 157 13.131 -1.143 16.545 1.00 0.00 H +HETATM 472 O HOH A 158 16.864 22.297 17.227 1.00 0.00 O +HETATM 473 H1 HOH A 158 16.526 22.047 18.086 1.00 0.00 H +HETATM 474 H2 HOH A 158 16.992 21.466 16.769 1.00 0.00 H +HETATM 475 O HOH A 159 16.619 5.053 18.685 1.00 0.00 O +HETATM 476 H1 HOH A 159 17.308 5.360 18.097 1.00 0.00 H +HETATM 477 H2 HOH A 159 16.260 5.852 19.071 1.00 0.00 H +HETATM 478 O HOH A 160 9.215 16.694 17.512 1.00 0.00 O +HETATM 479 H1 HOH A 160 9.351 16.299 18.373 1.00 0.00 H +HETATM 480 H2 HOH A 160 9.239 15.956 16.903 1.00 0.00 H +HETATM 481 O HOH A 161 7.229 20.035 10.398 1.00 0.00 O +HETATM 482 H1 HOH A 161 6.390 20.323 10.037 1.00 0.00 H +HETATM 483 H2 HOH A 161 7.871 20.263 9.726 1.00 0.00 H +HETATM 484 O HOH A 162 11.620 1.857 16.488 1.00 0.00 O +HETATM 485 H1 HOH A 162 12.203 2.581 16.715 1.00 0.00 H +HETATM 486 H2 HOH A 162 11.164 2.154 15.700 1.00 0.00 H +HETATM 487 O HOH A 163 11.920 0.927 10.765 1.00 0.00 O +HETATM 488 H1 HOH A 163 12.048 0.119 10.267 1.00 0.00 H +HETATM 489 H2 HOH A 163 11.277 1.422 10.257 1.00 0.00 H +HETATM 490 O HOH A 164 15.861 7.364 19.809 1.00 0.00 O +HETATM 491 H1 HOH A 164 15.237 8.085 19.721 1.00 0.00 H +HETATM 492 H2 HOH A 164 16.475 7.658 20.481 1.00 0.00 H +HETATM 493 O HOH A 165 11.354 7.329 -0.207 1.00 0.00 O +HETATM 494 H1 HOH A 165 10.920 7.341 0.646 1.00 0.00 H +HETATM 495 H2 HOH A 165 12.246 7.039 -0.019 1.00 0.00 H +HETATM 496 O HOH A 166 12.627 14.065 17.825 1.00 0.00 O +HETATM 497 H1 HOH A 166 12.137 13.585 17.157 1.00 0.00 H +HETATM 498 H2 HOH A 166 13.383 13.510 18.014 1.00 0.00 H +HETATM 499 O HOH A 167 10.824 4.566 20.843 1.00 0.00 O +HETATM 500 H1 HOH A 167 11.027 3.716 21.235 1.00 0.00 H +HETATM 501 H2 HOH A 167 10.181 4.369 20.162 1.00 0.00 H +HETATM 502 O HOH A 168 6.659 17.067 16.570 1.00 0.00 O +HETATM 503 H1 HOH A 168 7.523 17.001 16.978 1.00 0.00 H +HETATM 504 H2 HOH A 168 6.829 17.453 15.710 1.00 0.00 H +HETATM 505 O HOH A 169 8.647 15.514 13.181 1.00 0.00 O +HETATM 506 H1 HOH A 169 9.344 14.871 13.048 1.00 0.00 H +HETATM 507 H2 HOH A 169 7.941 15.225 12.603 1.00 0.00 H +HETATM 508 O HOH A 170 17.799 2.612 19.155 1.00 0.00 O +HETATM 509 H1 HOH A 170 17.347 3.421 18.913 1.00 0.00 H +HETATM 510 H2 HOH A 170 17.567 1.992 18.464 1.00 0.00 H +HETATM 511 O HOH A 171 6.628 2.700 12.800 1.00 0.00 O +HETATM 512 H1 HOH A 171 7.138 3.319 13.323 1.00 0.00 H +HETATM 513 H2 HOH A 171 5.720 2.857 13.061 1.00 0.00 H +HETATM 514 O HOH A 172 8.066 0.934 11.396 1.00 0.00 O +HETATM 515 H1 HOH A 172 7.520 1.552 11.882 1.00 0.00 H +HETATM 516 H2 HOH A 172 7.494 0.185 11.233 1.00 0.00 H +HETATM 517 O HOH A 173 13.781 19.378 3.923 1.00 0.00 O +HETATM 518 H1 HOH A 173 12.947 18.912 3.860 1.00 0.00 H +HETATM 519 H2 HOH A 173 14.040 19.529 3.014 1.00 0.00 H +HETATM 520 O HOH A 174 3.077 8.689 10.593 1.00 0.00 O +HETATM 521 H1 HOH A 174 2.696 7.854 10.319 1.00 0.00 H +HETATM 522 H2 HOH A 174 2.784 8.801 11.498 1.00 0.00 H +HETATM 523 O HOH A 175 2.440 15.276 10.269 1.00 0.00 O +HETATM 524 H1 HOH A 175 2.291 15.413 11.204 1.00 0.00 H +HETATM 525 H2 HOH A 175 2.429 16.156 9.893 1.00 0.00 H +HETATM 526 O HOH A 176 10.636 14.900 19.493 1.00 0.00 O +HETATM 527 H1 HOH A 176 10.869 14.418 20.287 1.00 0.00 H +HETATM 528 H2 HOH A 176 11.294 14.637 18.850 1.00 0.00 H +HETATM 529 O HOH A 177 7.796 7.930 20.629 1.00 0.00 O +HETATM 530 H1 HOH A 177 8.684 7.710 20.912 1.00 0.00 H +HETATM 531 H2 HOH A 177 7.244 7.259 21.032 1.00 0.00 H +HETATM 532 O HOH A 178 2.849 18.532 17.592 1.00 0.00 O +HETATM 533 H1 HOH A 178 3.018 18.309 16.677 1.00 0.00 H +HETATM 534 H2 HOH A 178 3.190 19.422 17.688 1.00 0.00 H +HETATM 535 O HOH A 179 6.566 19.281 5.254 1.00 0.00 O +HETATM 536 H1 HOH A 179 6.379 18.518 5.801 1.00 0.00 H +HETATM 537 H2 HOH A 179 7.505 19.225 5.077 1.00 0.00 H +HETATM 538 O HOH A 180 8.402 4.751 8.998 1.00 0.00 O +HETATM 539 H1 HOH A 180 8.735 5.427 9.588 1.00 0.00 H +HETATM 540 H2 HOH A 180 8.755 4.988 8.140 1.00 0.00 H +HETATM 541 O HOH A 181 7.147 11.976 18.246 1.00 0.00 O +HETATM 542 H1 HOH A 181 7.024 11.560 19.099 1.00 0.00 H +HETATM 543 H2 HOH A 181 7.006 11.271 17.613 1.00 0.00 H +HETATM 544 O HOH A 182 19.901 19.112 8.035 1.00 0.00 O +HETATM 545 H1 HOH A 182 20.014 20.049 8.198 1.00 0.00 H +HETATM 546 H2 HOH A 182 19.569 19.063 7.138 1.00 0.00 H +HETATM 547 O HOH A 183 19.260 10.547 9.660 1.00 0.00 O +HETATM 548 H1 HOH A 183 18.387 10.933 9.727 1.00 0.00 H +HETATM 549 H2 HOH A 183 19.140 9.775 9.108 1.00 0.00 H +HETATM 550 O HOH A 184 4.077 3.802 21.461 1.00 0.00 O +HETATM 551 H1 HOH A 184 3.722 4.543 20.971 1.00 0.00 H +HETATM 552 H2 HOH A 184 4.000 4.062 22.379 1.00 0.00 H +HETATM 553 O HOH A 185 14.167 4.992 2.470 1.00 0.00 O +HETATM 554 H1 HOH A 185 13.936 4.582 3.304 1.00 0.00 H +HETATM 555 H2 HOH A 185 13.939 5.914 2.584 1.00 0.00 H +HETATM 556 O HOH A 186 19.790 10.919 12.328 1.00 0.00 O +HETATM 557 H1 HOH A 186 19.408 10.129 12.711 1.00 0.00 H +HETATM 558 H2 HOH A 186 19.764 10.765 11.384 1.00 0.00 H +HETATM 559 O HOH A 187 2.437 16.407 12.773 1.00 0.00 O +HETATM 560 H1 HOH A 187 2.720 16.530 13.679 1.00 0.00 H +HETATM 561 H2 HOH A 187 1.821 17.122 12.614 1.00 0.00 H +HETATM 562 O HOH A 188 12.258 11.702 6.552 1.00 0.00 O +HETATM 563 H1 HOH A 188 12.517 11.693 7.473 1.00 0.00 H +HETATM 564 H2 HOH A 188 12.029 12.614 6.375 1.00 0.00 H +HETATM 565 O HOH A 189 6.863 9.958 16.457 1.00 0.00 O +HETATM 566 H1 HOH A 189 6.858 9.189 17.027 1.00 0.00 H +HETATM 567 H2 HOH A 189 6.382 9.681 15.676 1.00 0.00 H +HETATM 568 O HOH A 190 18.998 22.338 14.276 1.00 0.00 O +HETATM 569 H1 HOH A 190 18.555 23.185 14.218 1.00 0.00 H +HETATM 570 H2 HOH A 190 19.467 22.369 15.110 1.00 0.00 H +HETATM 571 O HOH A 191 10.320 10.174 10.250 1.00 0.00 O +HETATM 572 H1 HOH A 191 10.709 9.482 10.784 1.00 0.00 H +HETATM 573 H2 HOH A 191 9.495 10.382 10.689 1.00 0.00 H +HETATM 574 O HOH A 192 3.623 13.621 8.533 1.00 0.00 O +HETATM 575 H1 HOH A 192 3.116 12.813 8.607 1.00 0.00 H +HETATM 576 H2 HOH A 192 3.216 14.218 9.161 1.00 0.00 H +HETATM 577 O HOH A 193 11.857 7.995 18.977 1.00 0.00 O +HETATM 578 H1 HOH A 193 12.312 7.156 19.048 1.00 0.00 H +HETATM 579 H2 HOH A 193 11.175 7.957 19.648 1.00 0.00 H +HETATM 580 O HOH A 194 13.137 8.132 9.389 1.00 0.00 O +HETATM 581 H1 HOH A 194 13.524 7.259 9.451 1.00 0.00 H +HETATM 582 H2 HOH A 194 13.871 8.730 9.532 1.00 0.00 H +HETATM 583 O HOH A 195 5.953 17.169 6.795 1.00 0.00 O +HETATM 584 H1 HOH A 195 5.375 16.418 6.659 1.00 0.00 H +HETATM 585 H2 HOH A 195 6.057 17.222 7.745 1.00 0.00 H +HETATM 586 O HOH A 196 18.508 8.930 13.665 1.00 0.00 O +HETATM 587 H1 HOH A 196 18.647 9.085 14.599 1.00 0.00 H +HETATM 588 H2 HOH A 196 17.724 8.382 13.627 1.00 0.00 H +HETATM 589 O HOH A 197 17.414 15.839 17.709 1.00 0.00 O +HETATM 590 H1 HOH A 197 17.480 14.888 17.796 1.00 0.00 H +HETATM 591 H2 HOH A 197 17.585 16.008 16.782 1.00 0.00 H +HETATM 592 O HOH A 198 1.726 10.944 18.293 1.00 0.00 O +HETATM 593 H1 HOH A 198 1.718 11.645 18.945 1.00 0.00 H +HETATM 594 H2 HOH A 198 2.078 11.356 17.504 1.00 0.00 H +HETATM 595 O HOH A 199 4.814 6.513 17.476 1.00 0.00 O +HETATM 596 H1 HOH A 199 5.633 6.984 17.627 1.00 0.00 H +HETATM 597 H2 HOH A 199 5.050 5.807 16.873 1.00 0.00 H +HETATM 598 O HOH A 200 4.504 18.740 3.553 1.00 0.00 O +HETATM 599 H1 HOH A 200 3.889 18.309 4.147 1.00 0.00 H +HETATM 600 H2 HOH A 200 5.225 19.021 4.117 1.00 0.00 H +HETATM 601 O HOH A 201 8.757 6.997 13.796 1.00 0.00 O +HETATM 602 H1 HOH A 201 8.039 7.078 13.169 1.00 0.00 H +HETATM 603 H2 HOH A 201 9.290 7.779 13.653 1.00 0.00 H +HETATM 604 O HOH A 202 15.188 17.531 5.430 1.00 0.00 O +HETATM 605 H1 HOH A 202 14.823 18.281 4.959 1.00 0.00 H +HETATM 606 H2 HOH A 202 16.081 17.448 5.095 1.00 0.00 H +HETATM 607 O HOH A 203 11.636 17.842 8.249 1.00 0.00 O +HETATM 608 H1 HOH A 203 10.692 17.717 8.151 1.00 0.00 H +HETATM 609 H2 HOH A 203 11.825 17.554 9.142 1.00 0.00 H +HETATM 610 O HOH A 204 9.449 7.413 16.438 1.00 0.00 O +HETATM 611 H1 HOH A 204 9.974 6.640 16.645 1.00 0.00 H +HETATM 612 H2 HOH A 204 9.165 7.275 15.535 1.00 0.00 H +HETATM 613 O HOH A 205 13.125 21.377 5.681 1.00 0.00 O +HETATM 614 H1 HOH A 205 13.109 22.160 5.131 1.00 0.00 H +HETATM 615 H2 HOH A 205 13.454 20.686 5.106 1.00 0.00 H +HETATM 616 O HOH A 206 17.431 19.945 21.236 1.00 0.00 O +HETATM 617 H1 HOH A 206 17.750 19.291 20.613 1.00 0.00 H +HETATM 618 H2 HOH A 206 17.657 19.587 22.095 1.00 0.00 H +HETATM 619 O HOH A 207 9.719 2.581 9.960 1.00 0.00 O +HETATM 620 H1 HOH A 207 9.107 3.221 9.597 1.00 0.00 H +HETATM 621 H2 HOH A 207 9.163 1.943 10.408 1.00 0.00 H +HETATM 622 O HOH A 208 8.075 16.225 3.765 1.00 0.00 O +HETATM 623 H1 HOH A 208 7.944 17.020 3.248 1.00 0.00 H +HETATM 624 H2 HOH A 208 7.300 15.692 3.587 1.00 0.00 H +HETATM 625 O HOH A 209 10.877 12.719 16.163 1.00 0.00 O +HETATM 626 H1 HOH A 209 10.171 13.365 16.158 1.00 0.00 H +HETATM 627 H2 HOH A 209 10.437 11.884 16.324 1.00 0.00 H +HETATM 628 O HOH A 210 12.404 22.723 9.367 1.00 0.00 O +HETATM 629 H1 HOH A 210 11.961 22.037 8.868 1.00 0.00 H +HETATM 630 H2 HOH A 210 13.335 22.577 9.200 1.00 0.00 H +HETATM 631 O HOH A 211 7.836 14.513 19.149 1.00 0.00 O +HETATM 632 H1 HOH A 211 8.777 14.459 19.313 1.00 0.00 H +HETATM 633 H2 HOH A 211 7.590 13.631 18.868 1.00 0.00 H +HETATM 634 O HOH A 212 7.197 7.728 17.970 1.00 0.00 O +HETATM 635 H1 HOH A 212 7.426 7.800 18.896 1.00 0.00 H +HETATM 636 H2 HOH A 212 8.025 7.532 17.532 1.00 0.00 H +HETATM 637 O HOH A 213 8.890 17.830 7.886 1.00 0.00 O +HETATM 638 H1 HOH A 213 8.882 18.770 8.066 1.00 0.00 H +HETATM 639 H2 HOH A 213 8.141 17.486 8.372 1.00 0.00 H +HETATM 640 O HOH A 214 8.783 19.955 12.718 1.00 0.00 O +HETATM 641 H1 HOH A 214 8.159 19.985 11.993 1.00 0.00 H +HETATM 642 H2 HOH A 214 9.529 20.472 12.413 1.00 0.00 H +HETATM 643 O HOH A 215 20.341 18.685 12.420 1.00 0.00 O +HETATM 644 H1 HOH A 215 20.244 18.150 11.632 1.00 0.00 H +HETATM 645 H2 HOH A 215 19.942 19.524 12.191 1.00 0.00 H +HETATM 646 O HOH A 216 6.005 7.109 7.727 1.00 0.00 O +HETATM 647 H1 HOH A 216 6.001 6.295 7.224 1.00 0.00 H +HETATM 648 H2 HOH A 216 5.549 7.739 7.169 1.00 0.00 H +HETATM 649 O HOH A 217 16.372 17.751 1.532 1.00 0.00 O +HETATM 650 H1 HOH A 217 15.922 16.964 1.225 1.00 0.00 H +HETATM 651 H2 HOH A 217 15.703 18.435 1.508 1.00 0.00 H +HETATM 652 O HOH A 218 11.588 20.638 7.762 1.00 0.00 O +HETATM 653 H1 HOH A 218 11.780 19.706 7.867 1.00 0.00 H +HETATM 654 H2 HOH A 218 12.116 20.908 7.010 1.00 0.00 H +HETATM 655 O HOH A 219 15.685 19.362 18.257 1.00 0.00 O +HETATM 656 H1 HOH A 219 15.601 20.163 18.774 1.00 0.00 H +HETATM 657 H2 HOH A 219 14.909 19.355 17.697 1.00 0.00 H +HETATM 658 O HOH A 220 15.112 6.224 5.306 1.00 0.00 O +HETATM 659 H1 HOH A 220 14.738 6.842 4.678 1.00 0.00 H +HETATM 660 H2 HOH A 220 14.527 5.467 5.275 1.00 0.00 H +HETATM 661 O HOH A 221 7.720 13.119 6.876 1.00 0.00 O +HETATM 662 H1 HOH A 221 8.168 13.924 6.614 1.00 0.00 H +HETATM 663 H2 HOH A 221 8.424 12.531 7.149 1.00 0.00 H +HETATM 664 O HOH A 222 13.045 5.609 19.618 1.00 0.00 O +HETATM 665 H1 HOH A 222 12.330 5.211 20.114 1.00 0.00 H +HETATM 666 H2 HOH A 222 13.804 5.546 20.199 1.00 0.00 H +HETATM 667 O HOH A 223 19.582 7.343 19.567 1.00 0.00 O +HETATM 668 H1 HOH A 223 19.907 6.552 19.997 1.00 0.00 H +HETATM 669 H2 HOH A 223 19.198 7.030 18.748 1.00 0.00 H +HETATM 670 O HOH A 224 3.016 9.254 13.372 1.00 0.00 O +HETATM 671 H1 HOH A 224 2.894 8.384 13.752 1.00 0.00 H +HETATM 672 H2 HOH A 224 3.936 9.461 13.535 1.00 0.00 H +HETATM 673 O HOH A 225 14.850 12.566 18.327 1.00 0.00 O +HETATM 674 H1 HOH A 225 14.820 11.756 17.819 1.00 0.00 H +HETATM 675 H2 HOH A 225 15.725 12.918 18.165 1.00 0.00 H +HETATM 676 O HOH A 226 18.693 0.879 9.566 1.00 0.00 O +HETATM 677 H1 HOH A 226 18.454 -0.004 9.849 1.00 0.00 H +HETATM 678 H2 HOH A 226 18.256 0.986 8.721 1.00 0.00 H +HETATM 679 O HOH A 227 5.696 11.470 6.022 1.00 0.00 O +HETATM 680 H1 HOH A 227 6.450 12.032 6.202 1.00 0.00 H +HETATM 681 H2 HOH A 227 5.127 12.005 5.469 1.00 0.00 H +HETATM 682 O HOH A 228 4.315 13.180 4.366 1.00 0.00 O +HETATM 683 H1 HOH A 228 3.651 12.907 3.733 1.00 0.00 H +HETATM 684 H2 HOH A 228 4.989 13.607 3.838 1.00 0.00 H +HETATM 685 O HOH A 229 17.810 3.690 21.686 1.00 0.00 O +HETATM 686 H1 HOH A 229 16.918 4.039 21.665 1.00 0.00 H +HETATM 687 H2 HOH A 229 17.861 3.118 20.920 1.00 0.00 H +HETATM 688 O HOH A 230 8.937 14.624 15.803 1.00 0.00 O +HETATM 689 H1 HOH A 230 8.893 15.036 14.940 1.00 0.00 H +HETATM 690 H2 HOH A 230 8.067 14.246 15.933 1.00 0.00 H +HETATM 691 O HOH A 231 20.606 9.635 18.406 1.00 0.00 O +HETATM 692 H1 HOH A 231 20.383 8.819 18.853 1.00 0.00 H +HETATM 693 H2 HOH A 231 21.563 9.653 18.400 1.00 0.00 H +HETATM 694 O HOH A 232 0.287 7.503 5.973 1.00 0.00 O +HETATM 695 H1 HOH A 232 -0.051 6.661 5.667 1.00 0.00 H +HETATM 696 H2 HOH A 232 -0.424 8.122 5.804 1.00 0.00 H +HETATM 697 O HOH A 233 14.191 10.420 2.322 1.00 0.00 O +HETATM 698 H1 HOH A 233 14.262 10.459 1.369 1.00 0.00 H +HETATM 699 H2 HOH A 233 14.692 11.175 2.632 1.00 0.00 H +HETATM 700 O HOH A 234 5.922 16.484 19.231 1.00 0.00 O +HETATM 701 H1 HOH A 234 6.564 15.784 19.355 1.00 0.00 H +HETATM 702 H2 HOH A 234 6.141 16.861 18.379 1.00 0.00 H +HETATM 703 O HOH A 235 2.893 17.400 5.370 1.00 0.00 O +HETATM 704 H1 HOH A 235 2.048 17.039 5.100 1.00 0.00 H +HETATM 705 H2 HOH A 235 3.376 16.648 5.713 1.00 0.00 H +HETATM 706 O HOH A 236 11.800 -1.060 3.100 1.00 0.00 O +HETATM 707 H1 HOH A 236 11.125 -1.698 3.331 1.00 0.00 H +HETATM 708 H2 HOH A 236 11.868 -1.116 2.147 1.00 0.00 H +HETATM 709 O HOH A 237 7.675 17.913 14.137 1.00 0.00 O +HETATM 710 H1 HOH A 237 8.084 17.114 13.804 1.00 0.00 H +HETATM 711 H2 HOH A 237 8.151 18.623 13.707 1.00 0.00 H +HETATM 712 O HOH A 238 5.824 4.826 6.318 1.00 0.00 O +HETATM 713 H1 HOH A 238 4.967 4.705 5.908 1.00 0.00 H +HETATM 714 H2 HOH A 238 6.190 3.943 6.374 1.00 0.00 H +HETATM 715 O HOH A 239 13.135 5.297 10.203 1.00 0.00 O +HETATM 716 H1 HOH A 239 12.656 4.897 9.477 1.00 0.00 H +HETATM 717 H2 HOH A 239 12.546 5.215 10.953 1.00 0.00 H +HETATM 718 O HOH A 240 13.498 2.379 20.204 1.00 0.00 O +HETATM 719 H1 HOH A 240 12.589 2.141 20.022 1.00 0.00 H +HETATM 720 H2 HOH A 240 13.989 2.045 19.454 1.00 0.00 H +HETATM 721 O HOH A 241 7.586 12.438 13.557 1.00 0.00 O +HETATM 722 H1 HOH A 241 8.493 12.734 13.630 1.00 0.00 H +HETATM 723 H2 HOH A 241 7.189 12.672 14.396 1.00 0.00 H +HETATM 724 O HOH A 242 8.008 10.527 11.710 1.00 0.00 O +HETATM 725 H1 HOH A 242 7.180 10.137 11.429 1.00 0.00 H +HETATM 726 H2 HOH A 242 7.753 11.224 12.315 1.00 0.00 H +HETATM 727 O HOH A 243 11.634 3.866 8.379 1.00 0.00 O +HETATM 728 H1 HOH A 243 11.113 4.412 7.790 1.00 0.00 H +HETATM 729 H2 HOH A 243 10.991 3.324 8.835 1.00 0.00 H +HETATM 730 O HOH A 244 20.522 4.069 7.378 1.00 0.00 O +HETATM 731 H1 HOH A 244 20.737 3.468 8.091 1.00 0.00 H +HETATM 732 H2 HOH A 244 20.655 4.941 7.751 1.00 0.00 H +HETATM 733 O HOH A 245 10.362 7.224 21.298 1.00 0.00 O +HETATM 734 H1 HOH A 245 10.500 6.284 21.183 1.00 0.00 H +HETATM 735 H2 HOH A 245 10.678 7.406 22.183 1.00 0.00 H +HETATM 736 O HOH A 246 1.410 19.615 13.276 1.00 0.00 O +HETATM 737 H1 HOH A 246 1.453 20.244 13.996 1.00 0.00 H +HETATM 738 H2 HOH A 246 0.481 19.397 13.202 1.00 0.00 H +HETATM 739 O HOH A 247 10.635 8.163 4.875 1.00 0.00 O +HETATM 740 H1 HOH A 247 10.720 8.191 5.828 1.00 0.00 H +HETATM 741 H2 HOH A 247 10.986 9.003 4.578 1.00 0.00 H +HETATM 742 O HOH A 248 11.516 8.053 11.585 1.00 0.00 O +HETATM 743 H1 HOH A 248 11.961 8.013 12.432 1.00 0.00 H +HETATM 744 H2 HOH A 248 12.223 8.028 10.941 1.00 0.00 H +HETATM 745 O HOH A 249 2.325 11.858 14.039 1.00 0.00 O +HETATM 746 H1 HOH A 249 2.448 10.927 13.853 1.00 0.00 H +HETATM 747 H2 HOH A 249 2.161 12.253 13.183 1.00 0.00 H +HETATM 748 O HOH A 250 20.121 4.905 20.614 1.00 0.00 O +HETATM 749 H1 HOH A 250 20.444 4.167 20.098 1.00 0.00 H +HETATM 750 H2 HOH A 250 19.387 4.547 21.113 1.00 0.00 H +HETATM 751 O HOH A 251 6.081 14.411 2.791 1.00 0.00 O +HETATM 752 H1 HOH A 251 6.825 13.994 2.355 1.00 0.00 H +HETATM 753 H2 HOH A 251 5.875 15.168 2.242 1.00 0.00 H +HETATM 754 O HOH A 252 5.209 18.561 13.154 1.00 0.00 O +HETATM 755 H1 HOH A 252 6.063 18.501 13.583 1.00 0.00 H +HETATM 756 H2 HOH A 252 5.196 17.826 12.541 1.00 0.00 H +HETATM 757 O HOH A 253 17.607 17.386 4.023 1.00 0.00 O +HETATM 758 H1 HOH A 253 18.088 16.559 4.009 1.00 0.00 H +HETATM 759 H2 HOH A 253 17.266 17.480 3.134 1.00 0.00 H +HETATM 760 O HOH A 254 16.558 2.722 12.949 1.00 0.00 O +HETATM 761 H1 HOH A 254 15.727 2.391 12.609 1.00 0.00 H +HETATM 762 H2 HOH A 254 17.059 2.960 12.169 1.00 0.00 H +HETATM 763 O HOH A 255 19.557 8.527 7.694 1.00 0.00 O +HETATM 764 H1 HOH A 255 19.397 8.201 6.808 1.00 0.00 H +HETATM 765 H2 HOH A 255 20.013 7.809 8.134 1.00 0.00 H +HETATM 766 O HOH A 256 1.489 20.902 15.650 1.00 0.00 O +HETATM 767 H1 HOH A 256 2.214 21.128 16.233 1.00 0.00 H +HETATM 768 H2 HOH A 256 0.886 20.402 16.199 1.00 0.00 H +TER 769 HOH A 256 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/1|energy_minimisation_mixture_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/1|energy_minimisation_mixture_output.json new file mode 100644 index 00000000..613ada9f --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/1|energy_minimisation_mixture_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_energy_minimisation_mixture/minimised.pdb"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/minimised.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/minimised.pdb new file mode 100644 index 00000000..2299afd7 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_energy_minimisation_mixture/minimised.pdb @@ -0,0 +1,3461 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 30.546 30.546 30.546 90.00 90.00 90.00 P 1 1 +HETATM 1 C1 HMW A 1 9.560 8.988 10.119 1.00 0.00 C +HETATM 2 C2 HMW A 1 10.885 9.288 10.842 1.00 0.00 C +HETATM 3 C3 HMW A 1 11.199 10.791 10.885 1.00 0.00 C +HETATM 4 O1 HMW A 1 11.331 11.307 9.560 1.00 0.00 O +HETATM 5 H1 HMW A 1 8.732 9.498 10.610 1.00 0.00 H +HETATM 6 H2 HMW A 1 9.605 9.310 9.079 1.00 0.00 H +HETATM 7 H3 HMW A 1 9.359 7.916 10.137 1.00 0.00 H +HETATM 8 H4 HMW A 1 10.827 8.912 11.864 1.00 0.00 H +HETATM 9 H5 HMW A 1 11.698 8.753 10.351 1.00 0.00 H +HETATM 10 H6 HMW A 1 12.124 10.955 11.438 1.00 0.00 H +HETATM 11 H7 HMW A 1 10.406 11.322 11.412 1.00 0.00 H +HETATM 12 H8 HMW A 1 12.015 10.824 9.048 1.00 0.00 H +HETATM 13 C1 HMW A 2 6.063 18.284 5.226 1.00 0.00 C +HETATM 14 C2 HMW A 2 4.728 18.139 5.977 1.00 0.00 C +HETATM 15 C3 HMW A 2 3.581 17.719 5.052 1.00 0.00 C +HETATM 16 O1 HMW A 2 3.467 18.648 3.972 1.00 0.00 O +HETATM 17 H1 HMW A 2 6.356 17.336 4.775 1.00 0.00 H +HETATM 18 H2 HMW A 2 5.991 19.036 4.440 1.00 0.00 H +HETATM 19 H3 HMW A 2 6.848 18.596 5.915 1.00 0.00 H +HETATM 20 H4 HMW A 2 4.839 17.405 6.774 1.00 0.00 H +HETATM 21 H5 HMW A 2 4.470 19.090 6.443 1.00 0.00 H +HETATM 22 H6 HMW A 2 2.649 17.695 5.617 1.00 0.00 H +HETATM 23 H7 HMW A 2 3.759 16.714 4.670 1.00 0.00 H +HETATM 24 H8 HMW A 2 3.417 19.571 4.300 1.00 0.00 H +HETATM 25 C1 HMW A 3 6.247 19.730 26.583 1.00 0.00 C +HETATM 26 C2 HMW A 3 6.453 21.253 26.513 1.00 0.00 C +HETATM 27 C3 HMW A 3 5.122 21.995 26.353 1.00 0.00 C +HETATM 28 O1 HMW A 3 4.474 21.570 25.153 1.00 0.00 O +HETATM 29 H1 HMW A 3 5.577 19.471 27.403 1.00 0.00 H +HETATM 30 H2 HMW A 3 5.815 19.357 25.654 1.00 0.00 H +HETATM 31 H3 HMW A 3 7.201 19.226 26.741 1.00 0.00 H +HETATM 32 H4 HMW A 3 6.943 21.593 27.425 1.00 0.00 H +HETATM 33 H5 HMW A 3 7.110 21.498 25.678 1.00 0.00 H +HETATM 34 H6 HMW A 3 5.302 23.070 26.319 1.00 0.00 H +HETATM 35 H7 HMW A 3 4.479 21.797 27.211 1.00 0.00 H +HETATM 36 H8 HMW A 3 5.043 21.695 24.364 1.00 0.00 H +HETATM 37 C1 HMW A 4 5.564 19.603 19.330 1.00 0.00 C +HETATM 38 C2 HMW A 4 5.730 18.178 18.775 1.00 0.00 C +HETATM 39 C3 HMW A 4 5.740 18.153 17.238 1.00 0.00 C +HETATM 40 O1 HMW A 4 4.457 18.518 16.728 1.00 0.00 O +HETATM 41 H1 HMW A 4 6.381 20.241 18.992 1.00 0.00 H +HETATM 42 H2 HMW A 4 4.620 20.040 19.004 1.00 0.00 H +HETATM 43 H3 HMW A 4 5.575 19.586 20.420 1.00 0.00 H +HETATM 44 H4 HMW A 4 6.667 17.762 19.146 1.00 0.00 H +HETATM 45 H5 HMW A 4 4.927 17.541 19.148 1.00 0.00 H +HETATM 46 H6 HMW A 4 5.991 17.149 16.894 1.00 0.00 H +HETATM 47 H7 HMW A 4 6.501 18.833 16.857 1.00 0.00 H +HETATM 48 H8 HMW A 4 3.758 17.911 17.053 1.00 0.00 H +HETATM 49 C1 HMW A 5 11.472 24.994 8.149 1.00 0.00 C +HETATM 50 C2 HMW A 5 12.577 25.946 8.634 1.00 0.00 C +HETATM 51 C3 HMW A 5 12.006 27.169 9.368 1.00 0.00 C +HETATM 52 O1 HMW A 5 11.252 27.981 8.471 1.00 0.00 O +HETATM 53 H1 HMW A 5 10.834 24.690 8.979 1.00 0.00 H +HETATM 54 H2 HMW A 5 10.857 25.474 7.388 1.00 0.00 H +HETATM 55 H3 HMW A 5 11.914 24.098 7.713 1.00 0.00 H +HETATM 56 H4 HMW A 5 13.237 25.402 9.311 1.00 0.00 H +HETATM 57 H5 HMW A 5 13.189 26.270 7.793 1.00 0.00 H +HETATM 58 H6 HMW A 5 12.824 27.758 9.783 1.00 0.00 H +HETATM 59 H7 HMW A 5 11.378 26.847 10.198 1.00 0.00 H +HETATM 60 H8 HMW A 5 11.778 28.239 7.684 1.00 0.00 H +HETATM 61 C1 HMW A 6 13.935 23.429 0.519 1.00 0.00 C +HETATM 62 C2 HMW A 6 14.098 22.026 -0.088 1.00 0.00 C +HETATM 63 C3 HMW A 6 15.493 21.445 0.185 1.00 0.00 C +HETATM 64 O1 HMW A 6 16.481 22.176 -0.542 1.00 0.00 O +HETATM 65 H1 HMW A 6 14.067 23.391 1.600 1.00 0.00 H +HETATM 66 H2 HMW A 6 14.668 24.118 0.099 1.00 0.00 H +HETATM 67 H3 HMW A 6 12.939 23.819 0.311 1.00 0.00 H +HETATM 68 H4 HMW A 6 13.345 21.366 0.343 1.00 0.00 H +HETATM 69 H5 HMW A 6 13.912 22.059 -1.161 1.00 0.00 H +HETATM 70 H6 HMW A 6 15.516 20.399 -0.122 1.00 0.00 H +HETATM 71 H7 HMW A 6 15.711 21.478 1.252 1.00 0.00 H +HETATM 72 H8 HMW A 6 16.313 22.156 -1.509 1.00 0.00 H +HETATM 73 C1 HMW A 7 18.314 4.332 18.577 1.00 0.00 C +HETATM 74 C2 HMW A 7 18.594 5.669 19.281 1.00 0.00 C +HETATM 75 C3 HMW A 7 17.924 6.842 18.557 1.00 0.00 C +HETATM 76 O1 HMW A 7 18.401 6.938 17.218 1.00 0.00 O +HETATM 77 H1 HMW A 7 17.241 4.151 18.510 1.00 0.00 H +HETATM 78 H2 HMW A 7 18.729 4.329 17.569 1.00 0.00 H +HETATM 79 H3 HMW A 7 18.758 3.511 19.141 1.00 0.00 H +HETATM 80 H4 HMW A 7 18.216 5.626 20.302 1.00 0.00 H +HETATM 81 H5 HMW A 7 19.669 5.836 19.343 1.00 0.00 H +HETATM 82 H6 HMW A 7 18.136 7.767 19.094 1.00 0.00 H +HETATM 83 H7 HMW A 7 16.843 6.706 18.548 1.00 0.00 H +HETATM 84 H8 HMW A 7 19.369 7.093 17.187 1.00 0.00 H +HETATM 85 C1 HMW A 8 24.005 20.696 14.845 1.00 0.00 C +HETATM 86 C2 HMW A 8 24.479 21.158 16.233 1.00 0.00 C +HETATM 87 C3 HMW A 8 25.531 22.276 16.131 1.00 0.00 C +HETATM 88 O1 HMW A 8 26.689 21.808 15.437 1.00 0.00 O +HETATM 89 H1 HMW A 8 23.579 21.531 14.289 1.00 0.00 H +HETATM 90 H2 HMW A 8 24.836 20.283 14.272 1.00 0.00 H +HETATM 91 H3 HMW A 8 23.243 19.922 14.937 1.00 0.00 H +HETATM 92 H4 HMW A 8 23.624 21.526 16.800 1.00 0.00 H +HETATM 93 H5 HMW A 8 24.895 20.312 16.781 1.00 0.00 H +HETATM 94 H6 HMW A 8 25.811 22.608 17.131 1.00 0.00 H +HETATM 95 H7 HMW A 8 25.112 23.136 15.608 1.00 0.00 H +HETATM 96 H8 HMW A 8 27.074 21.013 15.863 1.00 0.00 H +HETATM 97 C1 HMW A 9 6.205 27.101 6.897 1.00 0.00 C +HETATM 98 C2 HMW A 9 6.946 27.300 8.231 1.00 0.00 C +HETATM 99 C3 HMW A 9 8.253 26.496 8.277 1.00 0.00 C +HETATM 100 O1 HMW A 9 7.975 25.096 8.232 1.00 0.00 O +HETATM 101 H1 HMW A 9 6.825 27.437 6.065 1.00 0.00 H +HETATM 102 H2 HMW A 9 5.958 26.050 6.745 1.00 0.00 H +HETATM 103 H3 HMW A 9 5.280 27.677 6.892 1.00 0.00 H +HETATM 104 H4 HMW A 9 7.175 28.359 8.357 1.00 0.00 H +HETATM 105 H5 HMW A 9 6.306 27.008 9.063 1.00 0.00 H +HETATM 106 H6 HMW A 9 8.796 26.731 9.193 1.00 0.00 H +HETATM 107 H7 HMW A 9 8.887 26.778 7.437 1.00 0.00 H +HETATM 108 H8 HMW A 9 7.447 24.809 9.008 1.00 0.00 H +HETATM 109 C1 HMW A 10 26.771 12.509 5.842 1.00 0.00 C +HETATM 110 C2 HMW A 10 26.568 13.105 7.244 1.00 0.00 C +HETATM 111 C3 HMW A 10 26.588 12.019 8.329 1.00 0.00 C +HETATM 112 O1 HMW A 10 25.487 11.129 8.147 1.00 0.00 O +HETATM 113 H1 HMW A 10 27.716 11.968 5.790 1.00 0.00 H +HETATM 114 H2 HMW A 10 25.962 11.821 5.595 1.00 0.00 H +HETATM 115 H3 HMW A 10 26.788 13.303 5.095 1.00 0.00 H +HETATM 116 H4 HMW A 10 27.364 13.822 7.446 1.00 0.00 H +HETATM 117 H5 HMW A 10 25.625 13.650 7.282 1.00 0.00 H +HETATM 118 H6 HMW A 10 26.523 12.482 9.314 1.00 0.00 H +HETATM 119 H7 HMW A 10 27.528 11.468 8.287 1.00 0.00 H +HETATM 120 H8 HMW A 10 24.637 11.617 8.106 1.00 0.00 H +HETATM 121 C1 HMW A 11 24.859 29.003 24.922 1.00 0.00 C +HETATM 122 C2 HMW A 11 25.757 28.598 23.739 1.00 0.00 C +HETATM 123 C3 HMW A 11 24.999 27.738 22.717 1.00 0.00 C +HETATM 124 O1 HMW A 11 24.573 26.520 23.331 1.00 0.00 O +HETATM 125 H1 HMW A 11 23.996 29.570 24.570 1.00 0.00 H +HETATM 126 H2 HMW A 11 24.503 28.124 25.458 1.00 0.00 H +HETATM 127 H3 HMW A 11 25.416 29.627 25.621 1.00 0.00 H +HETATM 128 H4 HMW A 11 26.125 29.498 23.246 1.00 0.00 H +HETATM 129 H5 HMW A 11 26.626 28.051 24.106 1.00 0.00 H +HETATM 130 H6 HMW A 11 25.647 27.517 21.869 1.00 0.00 H +HETATM 131 H7 HMW A 11 24.139 28.288 22.335 1.00 0.00 H +HETATM 132 H8 HMW A 11 25.336 25.964 23.597 1.00 0.00 H +HETATM 133 C1 HMW A 12 16.701 13.046 9.107 1.00 0.00 C +HETATM 134 C2 HMW A 12 16.187 13.160 7.666 1.00 0.00 C +HETATM 135 C3 HMW A 12 17.095 12.437 6.660 1.00 0.00 C +HETATM 136 O1 HMW A 12 18.427 12.948 6.728 1.00 0.00 O +HETATM 137 H1 HMW A 12 16.832 12.001 9.388 1.00 0.00 H +HETATM 138 H2 HMW A 12 17.658 13.560 9.207 1.00 0.00 H +HETATM 139 H3 HMW A 12 15.990 13.510 9.790 1.00 0.00 H +HETATM 140 H4 HMW A 12 15.183 12.739 7.605 1.00 0.00 H +HETATM 141 H5 HMW A 12 16.111 14.213 7.395 1.00 0.00 H +HETATM 142 H6 HMW A 12 16.701 12.578 5.654 1.00 0.00 H +HETATM 143 H7 HMW A 12 17.100 11.366 6.864 1.00 0.00 H +HETATM 144 H8 HMW A 12 18.954 12.684 5.945 1.00 0.00 H +HETATM 145 C1 HMW A 13 14.986 23.105 7.094 1.00 0.00 C +HETATM 146 C2 HMW A 13 14.247 22.028 6.282 1.00 0.00 C +HETATM 147 C3 HMW A 13 13.767 22.572 4.928 1.00 0.00 C +HETATM 148 O1 HMW A 13 12.718 23.518 5.124 1.00 0.00 O +HETATM 149 H1 HMW A 13 15.840 23.484 6.534 1.00 0.00 H +HETATM 150 H2 HMW A 13 14.324 23.941 7.321 1.00 0.00 H +HETATM 151 H3 HMW A 13 15.353 22.686 8.031 1.00 0.00 H +HETATM 152 H4 HMW A 13 14.922 21.190 6.110 1.00 0.00 H +HETATM 153 H5 HMW A 13 13.397 21.647 6.849 1.00 0.00 H +HETATM 154 H6 HMW A 13 13.400 21.753 4.309 1.00 0.00 H +HETATM 155 H7 HMW A 13 14.598 23.032 4.394 1.00 0.00 H +HETATM 156 H8 HMW A 13 11.931 23.098 5.533 1.00 0.00 H +HETATM 157 C1 HMW A 14 5.292 11.962 13.714 1.00 0.00 C +HETATM 158 C2 HMW A 14 6.020 10.775 13.060 1.00 0.00 C +HETATM 159 C3 HMW A 14 7.538 10.842 13.272 1.00 0.00 C +HETATM 160 O1 HMW A 14 8.065 12.012 12.649 1.00 0.00 O +HETATM 161 H1 HMW A 14 5.497 11.994 14.785 1.00 0.00 H +HETATM 162 H2 HMW A 14 5.610 12.905 13.269 1.00 0.00 H +HETATM 163 H3 HMW A 14 4.215 11.863 13.574 1.00 0.00 H +HETATM 164 H4 HMW A 14 5.644 9.846 13.489 1.00 0.00 H +HETATM 165 H5 HMW A 14 5.797 10.746 11.993 1.00 0.00 H +HETATM 166 H6 HMW A 14 8.006 9.954 12.848 1.00 0.00 H +HETATM 167 H7 HMW A 14 7.767 10.854 14.338 1.00 0.00 H +HETATM 168 H8 HMW A 14 7.855 12.032 11.691 1.00 0.00 H +HETATM 169 C1 HMW A 15 18.070 22.996 2.795 1.00 0.00 C +HETATM 170 C2 HMW A 15 17.429 24.233 2.149 1.00 0.00 C +HETATM 171 C3 HMW A 15 17.364 25.427 3.113 1.00 0.00 C +HETATM 172 O1 HMW A 15 16.571 25.109 4.258 1.00 0.00 O +HETATM 173 H1 HMW A 15 19.076 23.228 3.146 1.00 0.00 H +HETATM 174 H2 HMW A 15 17.472 22.645 3.636 1.00 0.00 H +HETATM 175 H3 HMW A 15 18.138 22.187 2.066 1.00 0.00 H +HETATM 176 H4 HMW A 15 18.007 24.516 1.269 1.00 0.00 H +HETATM 177 H5 HMW A 15 16.424 23.986 1.806 1.00 0.00 H +HETATM 178 H6 HMW A 15 16.934 26.286 2.598 1.00 0.00 H +HETATM 179 H7 HMW A 15 18.370 25.704 3.428 1.00 0.00 H +HETATM 180 H8 HMW A 15 15.678 24.791 4.005 1.00 0.00 H +HETATM 181 C1 HMW A 16 20.635 22.731 26.295 1.00 0.00 C +HETATM 182 C2 HMW A 16 19.937 21.971 27.436 1.00 0.00 C +HETATM 183 C3 HMW A 16 20.835 20.877 28.033 1.00 0.00 C +HETATM 184 O1 HMW A 16 21.161 19.895 27.049 1.00 0.00 O +HETATM 185 H1 HMW A 16 21.566 23.178 26.644 1.00 0.00 H +HETATM 186 H2 HMW A 16 20.856 22.059 25.466 1.00 0.00 H +HETATM 187 H3 HMW A 16 19.989 23.527 25.924 1.00 0.00 H +HETATM 188 H4 HMW A 16 19.666 22.676 28.222 1.00 0.00 H +HETATM 189 H5 HMW A 16 19.012 21.528 27.066 1.00 0.00 H +HETATM 190 H6 HMW A 16 20.329 20.404 28.874 1.00 0.00 H +HETATM 191 H7 HMW A 16 21.751 21.326 28.419 1.00 0.00 H +HETATM 192 H8 HMW A 16 20.370 19.404 26.739 1.00 0.00 H +HETATM 193 C1 HMW A 17 18.517 1.192 4.818 1.00 0.00 C +HETATM 194 C2 HMW A 17 19.411 -0.023 4.514 1.00 0.00 C +HETATM 195 C3 HMW A 17 20.035 -0.610 5.788 1.00 0.00 C +HETATM 196 O1 HMW A 17 21.092 0.226 6.269 1.00 0.00 O +HETATM 197 H1 HMW A 17 17.716 0.911 5.502 1.00 0.00 H +HETATM 198 H2 HMW A 17 19.092 2.001 5.269 1.00 0.00 H +HETATM 199 H3 HMW A 17 18.066 1.563 3.898 1.00 0.00 H +HETATM 200 H4 HMW A 17 18.804 -0.793 4.038 1.00 0.00 H +HETATM 201 H5 HMW A 17 20.194 0.251 3.807 1.00 0.00 H +HETATM 202 H6 HMW A 17 20.440 -1.598 5.570 1.00 0.00 H +HETATM 203 H7 HMW A 17 19.267 -0.742 6.550 1.00 0.00 H +HETATM 204 H8 HMW A 17 20.793 1.144 6.442 1.00 0.00 H +HETATM 205 C1 HMW A 18 18.175 4.673 26.815 1.00 0.00 C +HETATM 206 C2 HMW A 18 17.611 5.858 27.618 1.00 0.00 C +HETATM 207 C3 HMW A 18 17.520 7.129 26.762 1.00 0.00 C +HETATM 208 O1 HMW A 18 18.832 7.577 26.411 1.00 0.00 O +HETATM 209 H1 HMW A 18 17.549 4.467 25.946 1.00 0.00 H +HETATM 210 H2 HMW A 18 19.188 4.884 26.473 1.00 0.00 H +HETATM 211 H3 HMW A 18 18.207 3.778 27.437 1.00 0.00 H +HETATM 212 H4 HMW A 18 16.616 5.603 27.982 1.00 0.00 H +HETATM 213 H5 HMW A 18 18.235 6.045 28.492 1.00 0.00 H +HETATM 214 H6 HMW A 18 17.005 7.910 27.322 1.00 0.00 H +HETATM 215 H7 HMW A 18 16.935 6.932 25.864 1.00 0.00 H +HETATM 216 H8 HMW A 18 19.306 7.922 27.198 1.00 0.00 H +HETATM 217 C1 HMW A 19 13.587 2.060 4.545 1.00 0.00 C +HETATM 218 C2 HMW A 19 14.947 2.570 5.049 1.00 0.00 C +HETATM 219 C3 HMW A 19 14.850 3.992 5.619 1.00 0.00 C +HETATM 220 O1 HMW A 19 14.401 4.907 4.617 1.00 0.00 O +HETATM 221 H1 HMW A 19 12.844 2.103 5.342 1.00 0.00 H +HETATM 222 H2 HMW A 19 13.236 2.664 3.708 1.00 0.00 H +HETATM 223 H3 HMW A 19 13.674 1.027 4.209 1.00 0.00 H +HETATM 224 H4 HMW A 19 15.311 1.902 5.830 1.00 0.00 H +HETATM 225 H5 HMW A 19 15.674 2.542 4.237 1.00 0.00 H +HETATM 226 H6 HMW A 19 15.827 4.303 5.989 1.00 0.00 H +HETATM 227 H7 HMW A 19 14.159 4.001 6.462 1.00 0.00 H +HETATM 228 H8 HMW A 19 15.039 4.971 3.874 1.00 0.00 H +HETATM 229 C1 HMW A 20 24.235 15.741 4.717 1.00 0.00 C +HETATM 230 C2 HMW A 20 22.866 16.041 4.081 1.00 0.00 C +HETATM 231 C3 HMW A 20 21.791 15.027 4.502 1.00 0.00 C +HETATM 232 O1 HMW A 20 22.183 13.709 4.119 1.00 0.00 O +HETATM 233 H1 HMW A 20 24.168 15.775 5.805 1.00 0.00 H +HETATM 234 H2 HMW A 20 24.593 14.755 4.419 1.00 0.00 H +HETATM 235 H3 HMW A 20 24.967 16.482 4.396 1.00 0.00 H +HETATM 236 H4 HMW A 20 22.546 17.042 4.370 1.00 0.00 H +HETATM 237 H5 HMW A 20 22.961 16.036 2.995 1.00 0.00 H +HETATM 238 H6 HMW A 20 20.847 15.282 4.022 1.00 0.00 H +HETATM 239 H7 HMW A 20 21.631 15.072 5.580 1.00 0.00 H +HETATM 240 H8 HMW A 20 22.450 13.678 3.175 1.00 0.00 H +HETATM 241 C1 HMW A 21 26.504 8.713 5.038 1.00 0.00 C +HETATM 242 C2 HMW A 21 27.093 8.465 6.436 1.00 0.00 C +HETATM 243 C3 HMW A 21 26.110 7.727 7.360 1.00 0.00 C +HETATM 244 O1 HMW A 21 24.949 8.526 7.583 1.00 0.00 O +HETATM 245 H1 HMW A 21 26.294 7.764 4.542 1.00 0.00 H +HETATM 246 H2 HMW A 21 25.580 9.289 5.102 1.00 0.00 H +HETATM 247 H3 HMW A 21 27.213 9.269 4.425 1.00 0.00 H +HETATM 248 H4 HMW A 21 28.005 7.875 6.340 1.00 0.00 H +HETATM 249 H5 HMW A 21 27.375 9.416 6.889 1.00 0.00 H +HETATM 250 H6 HMW A 21 26.598 7.527 8.314 1.00 0.00 H +HETATM 251 H7 HMW A 21 25.829 6.769 6.923 1.00 0.00 H +HETATM 252 H8 HMW A 21 25.195 9.438 7.848 1.00 0.00 H +HETATM 253 C1 HMW A 22 19.941 9.700 16.348 1.00 0.00 C +HETATM 254 C2 HMW A 22 18.960 10.231 17.405 1.00 0.00 C +HETATM 255 C3 HMW A 22 18.538 11.681 17.137 1.00 0.00 C +HETATM 256 O1 HMW A 22 19.664 12.538 17.267 1.00 0.00 O +HETATM 257 H1 HMW A 22 19.453 9.648 15.375 1.00 0.00 H +HETATM 258 H2 HMW A 22 20.819 10.341 16.275 1.00 0.00 H +HETATM 259 H3 HMW A 22 20.282 8.698 16.612 1.00 0.00 H +HETATM 260 H4 HMW A 22 18.071 9.601 17.414 1.00 0.00 H +HETATM 261 H5 HMW A 22 19.409 10.162 18.396 1.00 0.00 H +HETATM 262 H6 HMW A 22 17.773 11.976 17.855 1.00 0.00 H +HETATM 263 H7 HMW A 22 18.112 11.774 16.138 1.00 0.00 H +HETATM 264 H8 HMW A 22 20.133 12.391 18.116 1.00 0.00 H +HETATM 265 C1 HMW A 23 11.499 3.608 10.222 1.00 0.00 C +HETATM 266 C2 HMW A 23 10.347 2.964 11.008 1.00 0.00 C +HETATM 267 C3 HMW A 23 10.579 3.012 12.525 1.00 0.00 C +HETATM 268 O1 HMW A 23 11.780 2.319 12.877 1.00 0.00 O +HETATM 269 H1 HMW A 23 11.668 4.630 10.561 1.00 0.00 H +HETATM 270 H2 HMW A 23 12.420 3.038 10.349 1.00 0.00 H +HETATM 271 H3 HMW A 23 11.258 3.629 9.159 1.00 0.00 H +HETATM 272 H4 HMW A 23 9.420 3.490 10.776 1.00 0.00 H +HETATM 273 H5 HMW A 23 10.217 1.930 10.687 1.00 0.00 H +HETATM 274 H6 HMW A 23 9.730 2.553 13.031 1.00 0.00 H +HETATM 275 H7 HMW A 23 10.637 4.048 12.860 1.00 0.00 H +HETATM 276 H8 HMW A 23 11.820 1.430 12.463 1.00 0.00 H +HETATM 277 C1 HMW A 24 5.051 7.058 3.415 1.00 0.00 C +HETATM 278 C2 HMW A 24 4.687 8.448 2.867 1.00 0.00 C +HETATM 279 C3 HMW A 24 3.263 8.485 2.290 1.00 0.00 C +HETATM 280 O1 HMW A 24 3.194 7.718 1.087 1.00 0.00 O +HETATM 281 H1 HMW A 24 4.364 6.768 4.210 1.00 0.00 H +HETATM 282 H2 HMW A 24 5.005 6.306 2.626 1.00 0.00 H +HETATM 283 H3 HMW A 24 6.063 7.065 3.818 1.00 0.00 H +HETATM 284 H4 HMW A 24 4.763 9.177 3.674 1.00 0.00 H +HETATM 285 H5 HMW A 24 5.403 8.744 2.099 1.00 0.00 H +HETATM 286 H6 HMW A 24 2.983 9.517 2.078 1.00 0.00 H +HETATM 287 H7 HMW A 24 2.554 8.096 3.022 1.00 0.00 H +HETATM 288 H8 HMW A 24 3.771 8.097 0.388 1.00 0.00 H +HETATM 289 C1 HMW A 25 5.891 25.056 1.021 1.00 0.00 C +HETATM 290 C2 HMW A 25 6.548 25.879 2.141 1.00 0.00 C +HETATM 291 C3 HMW A 25 6.438 25.187 3.507 1.00 0.00 C +HETATM 292 O1 HMW A 25 5.070 25.113 3.924 1.00 0.00 O +HETATM 293 H1 HMW A 25 6.392 24.094 0.912 1.00 0.00 H +HETATM 294 H2 HMW A 25 4.837 24.880 1.235 1.00 0.00 H +HETATM 295 H3 HMW A 25 5.966 25.586 0.072 1.00 0.00 H +HETATM 296 H4 HMW A 25 7.602 26.025 1.901 1.00 0.00 H +HETATM 297 H5 HMW A 25 6.090 26.867 2.193 1.00 0.00 H +HETATM 298 H6 HMW A 25 7.015 25.746 4.244 1.00 0.00 H +HETATM 299 H7 HMW A 25 6.865 24.185 3.453 1.00 0.00 H +HETATM 300 H8 HMW A 25 4.635 25.991 3.889 1.00 0.00 H +HETATM 301 C1 HMW A 26 25.986 21.734 11.971 1.00 0.00 C +HETATM 302 C2 HMW A 26 26.406 22.578 10.757 1.00 0.00 C +HETATM 303 C3 HMW A 26 27.282 23.771 11.170 1.00 0.00 C +HETATM 304 O1 HMW A 26 26.546 24.656 12.012 1.00 0.00 O +HETATM 305 H1 HMW A 26 26.863 21.351 12.493 1.00 0.00 H +HETATM 306 H2 HMW A 26 25.399 22.333 12.668 1.00 0.00 H +HETATM 307 H3 HMW A 26 25.378 20.889 11.649 1.00 0.00 H +HETATM 308 H4 HMW A 26 26.962 21.951 10.059 1.00 0.00 H +HETATM 309 H5 HMW A 26 25.520 22.937 10.234 1.00 0.00 H +HETATM 310 H6 HMW A 26 27.613 24.308 10.280 1.00 0.00 H +HETATM 311 H7 HMW A 26 28.171 23.415 11.690 1.00 0.00 H +HETATM 312 H8 HMW A 26 25.786 25.055 11.536 1.00 0.00 H +HETATM 313 C1 HMW A 27 9.765 14.914 23.212 1.00 0.00 C +HETATM 314 C2 HMW A 27 9.660 15.877 22.017 1.00 0.00 C +HETATM 315 C3 HMW A 27 10.472 15.387 20.808 1.00 0.00 C +HETATM 316 O1 HMW A 27 11.852 15.258 21.157 1.00 0.00 O +HETATM 317 H1 HMW A 27 9.403 13.924 22.933 1.00 0.00 H +HETATM 318 H2 HMW A 27 10.798 14.828 23.551 1.00 0.00 H +HETATM 319 H3 HMW A 27 9.163 15.277 24.044 1.00 0.00 H +HETATM 320 H4 HMW A 27 8.614 15.977 21.727 1.00 0.00 H +HETATM 321 H5 HMW A 27 10.004 16.868 22.315 1.00 0.00 H +HETATM 322 H6 HMW A 27 10.364 16.092 19.984 1.00 0.00 H +HETATM 323 H7 HMW A 27 10.083 14.427 20.466 1.00 0.00 H +HETATM 324 H8 HMW A 27 12.235 16.122 21.423 1.00 0.00 H +HETATM 325 C1 HMW A 28 19.637 23.099 22.276 1.00 0.00 C +HETATM 326 C2 HMW A 28 19.904 22.646 20.830 1.00 0.00 C +HETATM 327 C3 HMW A 28 18.654 22.772 19.946 1.00 0.00 C +HETATM 328 O1 HMW A 28 17.601 21.953 20.449 1.00 0.00 O +HETATM 329 H1 HMW A 28 19.257 24.121 22.295 1.00 0.00 H +HETATM 330 H2 HMW A 28 18.910 22.444 22.756 1.00 0.00 H +HETATM 331 H3 HMW A 28 20.559 23.064 22.856 1.00 0.00 H +HETATM 332 H4 HMW A 28 20.704 23.253 20.405 1.00 0.00 H +HETATM 333 H5 HMW A 28 20.251 21.612 20.826 1.00 0.00 H +HETATM 334 H6 HMW A 28 18.898 22.469 18.928 1.00 0.00 H +HETATM 335 H7 HMW A 28 18.329 23.812 19.911 1.00 0.00 H +HETATM 336 H8 HMW A 28 17.877 21.015 20.534 1.00 0.00 H +HETATM 337 C1 HMW A 29 19.475 27.840 15.040 1.00 0.00 C +HETATM 338 C2 HMW A 29 19.956 28.163 13.612 1.00 0.00 C +HETATM 339 C3 HMW A 29 21.444 27.833 13.417 1.00 0.00 C +HETATM 340 O1 HMW A 29 22.236 28.571 14.346 1.00 0.00 O +HETATM 341 H1 HMW A 29 19.642 26.788 15.271 1.00 0.00 H +HETATM 342 H2 HMW A 29 20.007 28.446 15.773 1.00 0.00 H +HETATM 343 H3 HMW A 29 18.410 28.051 15.133 1.00 0.00 H +HETATM 344 H4 HMW A 29 19.368 27.588 12.896 1.00 0.00 H +HETATM 345 H5 HMW A 29 19.784 29.217 13.396 1.00 0.00 H +HETATM 346 H6 HMW A 29 21.745 28.078 12.399 1.00 0.00 H +HETATM 347 H7 HMW A 29 21.609 26.764 13.557 1.00 0.00 H +HETATM 348 H8 HMW A 29 22.176 29.537 14.186 1.00 0.00 H +HETATM 349 C1 HMW A 30 17.698 4.050 13.326 1.00 0.00 C +HETATM 350 C2 HMW A 30 17.815 5.508 12.844 1.00 0.00 C +HETATM 351 C3 HMW A 30 18.112 6.460 14.006 1.00 0.00 C +HETATM 352 O1 HMW A 30 17.046 6.435 14.954 1.00 0.00 O +HETATM 353 H1 HMW A 30 18.591 3.750 13.875 1.00 0.00 H +HETATM 354 H2 HMW A 30 16.837 3.930 13.983 1.00 0.00 H +HETATM 355 H3 HMW A 30 17.577 3.380 12.475 1.00 0.00 H +HETATM 356 H4 HMW A 30 18.621 5.581 12.113 1.00 0.00 H +HETATM 357 H5 HMW A 30 16.893 5.808 12.345 1.00 0.00 H +HETATM 358 H6 HMW A 30 18.250 7.475 13.634 1.00 0.00 H +HETATM 359 H7 HMW A 30 19.041 6.160 14.491 1.00 0.00 H +HETATM 360 H8 HMW A 30 17.368 6.689 15.845 1.00 0.00 H +HETATM 361 C1 HMW A 31 9.496 17.695 10.270 1.00 0.00 C +HETATM 362 C2 HMW A 31 8.339 16.687 10.232 1.00 0.00 C +HETATM 363 C3 HMW A 31 7.006 17.354 9.864 1.00 0.00 C +HETATM 364 O1 HMW A 31 6.613 18.281 10.878 1.00 0.00 O +HETATM 365 H1 HMW A 31 9.611 18.180 9.300 1.00 0.00 H +HETATM 366 H2 HMW A 31 9.315 18.463 11.023 1.00 0.00 H +HETATM 367 H3 HMW A 31 10.428 17.182 10.510 1.00 0.00 H +HETATM 368 H4 HMW A 31 8.568 15.920 9.491 1.00 0.00 H +HETATM 369 H5 HMW A 31 8.250 16.187 11.196 1.00 0.00 H +HETATM 370 H6 HMW A 31 6.236 16.591 9.753 1.00 0.00 H +HETATM 371 H7 HMW A 31 7.097 17.866 8.906 1.00 0.00 H +HETATM 372 H8 HMW A 31 6.547 17.852 11.758 1.00 0.00 H +HETATM 373 C1 HMW A 32 25.729 22.079 21.084 1.00 0.00 C +HETATM 374 C2 HMW A 32 24.781 23.278 21.269 1.00 0.00 C +HETATM 375 C3 HMW A 32 25.317 24.545 20.583 1.00 0.00 C +HETATM 376 O1 HMW A 32 26.592 24.896 21.125 1.00 0.00 O +HETATM 377 H1 HMW A 32 25.856 21.852 20.025 1.00 0.00 H +HETATM 378 H2 HMW A 32 26.708 22.288 21.516 1.00 0.00 H +HETATM 379 H3 HMW A 32 25.323 21.198 21.582 1.00 0.00 H +HETATM 380 H4 HMW A 32 23.804 23.032 20.854 1.00 0.00 H +HETATM 381 H5 HMW A 32 24.636 23.471 22.332 1.00 0.00 H +HETATM 382 H6 HMW A 32 24.614 25.365 20.732 1.00 0.00 H +HETATM 383 H7 HMW A 32 25.404 24.380 19.509 1.00 0.00 H +HETATM 384 H8 HMW A 32 26.562 24.970 22.103 1.00 0.00 H +HETATM 385 C1 HMW A 33 7.401 25.613 22.478 1.00 0.00 C +HETATM 386 C2 HMW A 33 6.430 26.480 23.295 1.00 0.00 C +HETATM 387 C3 HMW A 33 5.561 25.628 24.232 1.00 0.00 C +HETATM 388 O1 HMW A 33 4.763 24.722 23.471 1.00 0.00 O +HETATM 389 H1 HMW A 33 8.014 25.004 23.143 1.00 0.00 H +HETATM 390 H2 HMW A 33 6.857 24.952 21.804 1.00 0.00 H +HETATM 391 H3 HMW A 33 8.060 26.242 21.879 1.00 0.00 H +HETATM 392 H4 HMW A 33 7.002 27.192 23.890 1.00 0.00 H +HETATM 393 H5 HMW A 33 5.797 27.059 22.622 1.00 0.00 H +HETATM 394 H6 HMW A 33 4.917 26.280 24.823 1.00 0.00 H +HETATM 395 H7 HMW A 33 6.193 25.074 24.925 1.00 0.00 H +HETATM 396 H8 HMW A 33 4.234 25.192 22.791 1.00 0.00 H +HETATM 397 C1 HMW A 34 4.098 25.644 20.091 1.00 0.00 C +HETATM 398 C2 HMW A 34 3.468 24.361 19.525 1.00 0.00 C +HETATM 399 C3 HMW A 34 3.856 23.108 20.327 1.00 0.00 C +HETATM 400 O1 HMW A 34 5.267 22.889 20.254 1.00 0.00 O +HETATM 401 H1 HMW A 34 3.771 25.811 21.118 1.00 0.00 H +HETATM 402 H2 HMW A 34 5.186 25.584 20.070 1.00 0.00 H +HETATM 403 H3 HMW A 34 3.794 26.505 19.494 1.00 0.00 H +HETATM 404 H4 HMW A 34 2.383 24.465 19.530 1.00 0.00 H +HETATM 405 H5 HMW A 34 3.774 24.234 18.486 1.00 0.00 H +HETATM 406 H6 HMW A 34 3.334 22.243 19.917 1.00 0.00 H +HETATM 407 H7 HMW A 34 3.543 23.216 21.366 1.00 0.00 H +HETATM 408 H8 HMW A 34 5.570 22.863 19.321 1.00 0.00 H +HETATM 409 C1 HMW A 35 13.605 25.131 27.654 1.00 0.00 C +HETATM 410 C2 HMW A 35 14.720 24.257 27.053 1.00 0.00 C +HETATM 411 C3 HMW A 35 16.110 24.875 27.261 1.00 0.00 C +HETATM 412 O1 HMW A 35 16.181 26.142 26.617 1.00 0.00 O +HETATM 413 H1 HMW A 35 13.789 25.315 28.712 1.00 0.00 H +HETATM 414 H2 HMW A 35 13.550 26.091 27.140 1.00 0.00 H +HETATM 415 H3 HMW A 35 12.640 24.633 27.554 1.00 0.00 H +HETATM 416 H4 HMW A 35 14.695 23.270 27.516 1.00 0.00 H +HETATM 417 H5 HMW A 35 14.540 24.117 25.987 1.00 0.00 H +HETATM 418 H6 HMW A 35 16.870 24.212 26.848 1.00 0.00 H +HETATM 419 H7 HMW A 35 16.312 24.988 28.326 1.00 0.00 H +HETATM 420 H8 HMW A 35 15.964 26.078 25.662 1.00 0.00 H +HETATM 421 C1 HMW A 36 16.359 5.646 1.853 1.00 0.00 C +HETATM 422 C2 HMW A 36 17.187 4.469 2.396 1.00 0.00 C +HETATM 423 C3 HMW A 36 18.683 4.605 2.068 1.00 0.00 C +HETATM 424 O1 HMW A 36 18.884 4.657 0.656 1.00 0.00 O +HETATM 425 H1 HMW A 36 16.651 6.575 2.344 1.00 0.00 H +HETATM 426 H2 HMW A 36 16.500 5.758 0.778 1.00 0.00 H +HETATM 427 H3 HMW A 36 15.297 5.479 2.036 1.00 0.00 H +HETATM 428 H4 HMW A 36 17.068 4.413 3.479 1.00 0.00 H +HETATM 429 H5 HMW A 36 16.810 3.535 1.978 1.00 0.00 H +HETATM 430 H6 HMW A 36 19.222 3.753 2.482 1.00 0.00 H +HETATM 431 H7 HMW A 36 19.087 5.506 2.531 1.00 0.00 H +HETATM 432 H8 HMW A 36 18.451 3.904 0.199 1.00 0.00 H +HETATM 433 C1 HMW A 37 19.291 3.449 22.551 1.00 0.00 C +HETATM 434 C2 HMW A 37 18.845 2.069 23.063 1.00 0.00 C +HETATM 435 C3 HMW A 37 19.577 1.681 24.354 1.00 0.00 C +HETATM 436 O1 HMW A 37 20.982 1.591 24.116 1.00 0.00 O +HETATM 437 H1 HMW A 37 19.100 4.216 23.302 1.00 0.00 H +HETATM 438 H2 HMW A 37 20.355 3.449 22.314 1.00 0.00 H +HETATM 439 H3 HMW A 37 18.741 3.706 21.645 1.00 0.00 H +HETATM 440 H4 HMW A 37 17.772 2.086 23.252 1.00 0.00 H +HETATM 441 H5 HMW A 37 19.027 1.314 22.299 1.00 0.00 H +HETATM 442 H6 HMW A 37 19.206 0.722 24.715 1.00 0.00 H +HETATM 443 H7 HMW A 37 19.378 2.423 25.128 1.00 0.00 H +HETATM 444 H8 HMW A 37 21.204 0.806 23.572 1.00 0.00 H +HETATM 445 C1 HMW A 38 3.858 3.268 8.866 1.00 0.00 C +HETATM 446 C2 HMW A 38 4.142 3.529 10.355 1.00 0.00 C +HETATM 447 C3 HMW A 38 3.442 4.795 10.872 1.00 0.00 C +HETATM 448 O1 HMW A 38 3.921 5.951 10.184 1.00 0.00 O +HETATM 449 H1 HMW A 38 2.785 3.200 8.687 1.00 0.00 H +HETATM 450 H2 HMW A 38 4.271 4.066 8.250 1.00 0.00 H +HETATM 451 H3 HMW A 38 4.318 2.329 8.558 1.00 0.00 H +HETATM 452 H4 HMW A 38 3.799 2.674 10.938 1.00 0.00 H +HETATM 453 H5 HMW A 38 5.217 3.615 10.512 1.00 0.00 H +HETATM 454 H6 HMW A 38 3.636 4.898 11.939 1.00 0.00 H +HETATM 455 H7 HMW A 38 2.362 4.708 10.744 1.00 0.00 H +HETATM 456 H8 HMW A 38 3.609 5.976 9.254 1.00 0.00 H +HETATM 457 C1 HMW A 39 10.195 16.446 2.048 1.00 0.00 C +HETATM 458 C2 HMW A 39 10.042 16.103 3.539 1.00 0.00 C +HETATM 459 C3 HMW A 39 11.136 15.138 4.021 1.00 0.00 C +HETATM 460 O1 HMW A 39 11.030 13.890 3.336 1.00 0.00 O +HETATM 461 H1 HMW A 39 11.175 16.883 1.857 1.00 0.00 H +HETATM 462 H2 HMW A 39 10.088 15.552 1.432 1.00 0.00 H +HETATM 463 H3 HMW A 39 9.433 17.165 1.748 1.00 0.00 H +HETATM 464 H4 HMW A 39 10.094 17.022 4.123 1.00 0.00 H +HETATM 465 H5 HMW A 39 9.059 15.667 3.719 1.00 0.00 H +HETATM 466 H6 HMW A 39 11.033 14.974 5.094 1.00 0.00 H +HETATM 467 H7 HMW A 39 12.119 15.575 3.848 1.00 0.00 H +HETATM 468 H8 HMW A 39 10.164 13.461 3.501 1.00 0.00 H +HETATM 469 C1 HMW A 40 14.002 11.411 25.102 1.00 0.00 C +HETATM 470 C2 HMW A 40 12.918 10.500 24.506 1.00 0.00 C +HETATM 471 C3 HMW A 40 13.394 9.800 23.224 1.00 0.00 C +HETATM 472 O1 HMW A 40 13.661 10.752 22.196 1.00 0.00 O +HETATM 473 H1 HMW A 40 14.896 10.835 25.340 1.00 0.00 H +HETATM 474 H2 HMW A 40 14.271 12.200 24.400 1.00 0.00 H +HETATM 475 H3 HMW A 40 13.640 11.878 26.019 1.00 0.00 H +HETATM 476 H4 HMW A 40 12.642 9.745 25.242 1.00 0.00 H +HETATM 477 H5 HMW A 40 12.023 11.085 24.294 1.00 0.00 H +HETATM 478 H6 HMW A 40 12.623 9.107 22.884 1.00 0.00 H +HETATM 479 H7 HMW A 40 14.290 9.215 23.431 1.00 0.00 H +HETATM 480 H8 HMW A 40 12.898 11.346 22.031 1.00 0.00 H +HETATM 481 C1 HMW A 41 17.800 18.468 28.720 1.00 0.00 C +HETATM 482 C2 HMW A 41 17.236 18.844 27.341 1.00 0.00 C +HETATM 483 C3 HMW A 41 17.843 17.984 26.224 1.00 0.00 C +HETATM 484 O1 HMW A 41 19.240 18.235 26.075 1.00 0.00 O +HETATM 485 H1 HMW A 41 17.566 17.431 28.958 1.00 0.00 H +HETATM 486 H2 HMW A 41 18.883 18.593 28.740 1.00 0.00 H +HETATM 487 H3 HMW A 41 17.367 19.107 29.490 1.00 0.00 H +HETATM 488 H4 HMW A 41 16.155 18.705 27.350 1.00 0.00 H +HETATM 489 H5 HMW A 41 17.423 19.898 27.136 1.00 0.00 H +HETATM 490 H6 HMW A 41 17.339 18.205 25.283 1.00 0.00 H +HETATM 491 H7 HMW A 41 17.680 16.928 26.441 1.00 0.00 H +HETATM 492 H8 HMW A 41 19.621 17.671 25.370 1.00 0.00 H +HETATM 493 C1 HMW A 42 7.148 9.091 21.250 1.00 0.00 C +HETATM 494 C2 HMW A 42 6.525 9.778 20.027 1.00 0.00 C +HETATM 495 C3 HMW A 42 5.052 9.383 19.854 1.00 0.00 C +HETATM 496 O1 HMW A 42 4.942 7.991 19.555 1.00 0.00 O +HETATM 497 H1 HMW A 42 6.567 9.308 22.146 1.00 0.00 H +HETATM 498 H2 HMW A 42 7.178 8.010 21.111 1.00 0.00 H +HETATM 499 H3 HMW A 42 8.166 9.450 21.400 1.00 0.00 H +HETATM 500 H4 HMW A 42 6.590 10.859 20.154 1.00 0.00 H +HETATM 501 H5 HMW A 42 7.091 9.517 19.133 1.00 0.00 H +HETATM 502 H6 HMW A 42 4.600 9.969 19.054 1.00 0.00 H +HETATM 503 H7 HMW A 42 4.508 9.610 20.771 1.00 0.00 H +HETATM 504 H8 HMW A 42 5.118 7.804 18.609 1.00 0.00 H +HETATM 505 C1 HMW A 43 12.287 24.628 24.211 1.00 0.00 C +HETATM 506 C2 HMW A 43 11.125 24.720 23.211 1.00 0.00 C +HETATM 507 C3 HMW A 43 10.533 23.340 22.892 1.00 0.00 C +HETATM 508 O1 HMW A 43 11.511 22.518 22.260 1.00 0.00 O +HETATM 509 H1 HMW A 43 11.961 24.140 25.130 1.00 0.00 H +HETATM 510 H2 HMW A 43 13.116 24.060 23.789 1.00 0.00 H +HETATM 511 H3 HMW A 43 12.649 25.626 24.459 1.00 0.00 H +HETATM 512 H4 HMW A 43 10.345 25.355 23.632 1.00 0.00 H +HETATM 513 H5 HMW A 43 11.466 25.195 22.291 1.00 0.00 H +HETATM 514 H6 HMW A 43 9.675 23.456 22.230 1.00 0.00 H +HETATM 515 H7 HMW A 43 10.181 22.863 23.806 1.00 0.00 H +HETATM 516 H8 HMW A 43 11.874 22.946 21.455 1.00 0.00 H +HETATM 517 C1 HMW A 44 7.907 14.741 18.232 1.00 0.00 C +HETATM 518 C2 HMW A 44 8.976 14.161 17.291 1.00 0.00 C +HETATM 519 C3 HMW A 44 8.495 12.881 16.586 1.00 0.00 C +HETATM 520 O1 HMW A 44 8.219 11.851 17.540 1.00 0.00 O +HETATM 521 H1 HMW A 44 6.984 14.940 17.688 1.00 0.00 H +HETATM 522 H2 HMW A 44 7.692 14.048 19.046 1.00 0.00 H +HETATM 523 H3 HMW A 44 8.257 15.677 18.667 1.00 0.00 H +HETATM 524 H4 HMW A 44 9.230 14.906 16.538 1.00 0.00 H +HETATM 525 H5 HMW A 44 9.887 13.956 17.854 1.00 0.00 H +HETATM 526 H6 HMW A 44 9.259 12.535 15.889 1.00 0.00 H +HETATM 527 H7 HMW A 44 7.601 13.098 16.002 1.00 0.00 H +HETATM 528 H8 HMW A 44 7.787 11.073 17.127 1.00 0.00 H +HETATM 529 C1 HMW A 45 22.051 12.266 24.786 1.00 0.00 C +HETATM 530 C2 HMW A 45 23.017 12.909 23.779 1.00 0.00 C +HETATM 531 C3 HMW A 45 23.561 14.247 24.302 1.00 0.00 C +HETATM 532 O1 HMW A 45 22.532 15.235 24.348 1.00 0.00 O +HETATM 533 H1 HMW A 45 22.565 12.049 25.722 1.00 0.00 H +HETATM 534 H2 HMW A 45 21.218 12.939 24.996 1.00 0.00 H +HETATM 535 H3 HMW A 45 21.651 11.334 24.387 1.00 0.00 H +HETATM 536 H4 HMW A 45 23.849 12.227 23.601 1.00 0.00 H +HETATM 537 H5 HMW A 45 22.513 13.066 22.824 1.00 0.00 H +HETATM 538 H6 HMW A 45 24.363 14.596 23.653 1.00 0.00 H +HETATM 539 H7 HMW A 45 23.988 14.110 25.296 1.00 0.00 H +HETATM 540 H8 HMW A 45 22.871 16.075 24.724 1.00 0.00 H +HETATM 541 C1 HMW A 46 15.027 6.977 21.170 1.00 0.00 C +HETATM 542 C2 HMW A 46 14.618 5.833 22.109 1.00 0.00 C +HETATM 543 C3 HMW A 46 15.755 4.827 22.333 1.00 0.00 C +HETATM 544 O1 HMW A 46 16.053 4.136 21.121 1.00 0.00 O +HETATM 545 H1 HMW A 46 15.893 7.508 21.565 1.00 0.00 H +HETATM 546 H2 HMW A 46 15.271 6.591 20.180 1.00 0.00 H +HETATM 547 H3 HMW A 46 14.207 7.688 21.066 1.00 0.00 H +HETATM 548 H4 HMW A 46 14.330 6.260 23.070 1.00 0.00 H +HETATM 549 H5 HMW A 46 13.750 5.315 21.702 1.00 0.00 H +HETATM 550 H6 HMW A 46 15.461 4.108 23.098 1.00 0.00 H +HETATM 551 H7 HMW A 46 16.644 5.344 22.694 1.00 0.00 H +HETATM 552 H8 HMW A 46 15.285 3.625 20.788 1.00 0.00 H +HETATM 553 C1 HMW A 47 14.472 13.710 18.066 1.00 0.00 C +HETATM 554 C2 HMW A 47 13.062 13.866 17.474 1.00 0.00 C +HETATM 555 C3 HMW A 47 12.547 12.562 16.845 1.00 0.00 C +HETATM 556 O1 HMW A 47 13.384 12.163 15.757 1.00 0.00 O +HETATM 557 H1 HMW A 47 14.465 12.975 18.872 1.00 0.00 H +HETATM 558 H2 HMW A 47 15.183 13.392 17.304 1.00 0.00 H +HETATM 559 H3 HMW A 47 14.813 14.662 18.474 1.00 0.00 H +HETATM 560 H4 HMW A 47 12.378 14.176 18.265 1.00 0.00 H +HETATM 561 H5 HMW A 47 13.061 14.659 16.727 1.00 0.00 H +HETATM 562 H6 HMW A 47 11.532 12.718 16.478 1.00 0.00 H +HETATM 563 H7 HMW A 47 12.508 11.774 17.597 1.00 0.00 H +HETATM 564 H8 HMW A 47 13.557 12.914 15.150 1.00 0.00 H +HETATM 565 C1 HMW A 48 5.321 16.023 21.888 1.00 0.00 C +HETATM 566 C2 HMW A 48 3.943 15.486 21.471 1.00 0.00 C +HETATM 567 C3 HMW A 48 4.037 14.070 20.888 1.00 0.00 C +HETATM 568 O1 HMW A 48 4.825 14.080 19.702 1.00 0.00 O +HETATM 569 H1 HMW A 48 5.761 15.383 22.654 1.00 0.00 H +HETATM 570 H2 HMW A 48 5.999 16.059 21.035 1.00 0.00 H +HETATM 571 H3 HMW A 48 5.223 17.031 22.290 1.00 0.00 H +HETATM 572 H4 HMW A 48 3.287 15.469 22.341 1.00 0.00 H +HETATM 573 H5 HMW A 48 3.490 16.155 20.738 1.00 0.00 H +HETATM 574 H6 HMW A 48 3.037 13.701 20.659 1.00 0.00 H +HETATM 575 H7 HMW A 48 4.480 13.394 21.620 1.00 0.00 H +HETATM 576 H8 HMW A 48 4.434 14.654 19.008 1.00 0.00 H +HETATM 577 C1 HMW A 49 4.306 21.040 10.318 1.00 0.00 C +HETATM 578 C2 HMW A 49 4.538 20.514 8.891 1.00 0.00 C +HETATM 579 C3 HMW A 49 5.978 20.766 8.427 1.00 0.00 C +HETATM 580 O1 HMW A 49 6.188 22.159 8.187 1.00 0.00 O +HETATM 581 H1 HMW A 49 4.970 20.543 11.024 1.00 0.00 H +HETATM 582 H2 HMW A 49 4.494 22.113 10.365 1.00 0.00 H +HETATM 583 H3 HMW A 49 3.276 20.860 10.625 1.00 0.00 H +HETATM 584 H4 HMW A 49 4.342 19.442 8.875 1.00 0.00 H +HETATM 585 H5 HMW A 49 3.839 20.985 8.200 1.00 0.00 H +HETATM 586 H6 HMW A 49 6.177 20.213 7.508 1.00 0.00 H +HETATM 587 H7 HMW A 49 6.679 20.401 9.178 1.00 0.00 H +HETATM 588 H8 HMW A 49 5.731 22.454 7.371 1.00 0.00 H +HETATM 589 C1 HMW A 50 21.428 15.678 8.867 1.00 0.00 C +HETATM 590 C2 HMW A 50 22.340 14.521 8.423 1.00 0.00 C +HETATM 591 C3 HMW A 50 23.210 13.993 9.573 1.00 0.00 C +HETATM 592 O1 HMW A 50 24.048 15.033 10.075 1.00 0.00 O +HETATM 593 H1 HMW A 50 20.784 15.366 9.689 1.00 0.00 H +HETATM 594 H2 HMW A 50 22.019 16.535 9.191 1.00 0.00 H +HETATM 595 H3 HMW A 50 20.794 15.996 8.038 1.00 0.00 H +HETATM 596 H4 HMW A 50 21.722 13.710 8.037 1.00 0.00 H +HETATM 597 H5 HMW A 50 22.980 14.851 7.605 1.00 0.00 H +HETATM 598 H6 HMW A 50 23.823 13.165 9.217 1.00 0.00 H +HETATM 599 H7 HMW A 50 22.579 13.608 10.374 1.00 0.00 H +HETATM 600 H8 HMW A 50 24.615 15.416 9.372 1.00 0.00 H +HETATM 601 C1 HMW A 51 10.697 27.038 4.518 1.00 0.00 C +HETATM 602 C2 HMW A 51 12.223 27.015 4.713 1.00 0.00 C +HETATM 603 C3 HMW A 51 12.965 26.551 3.451 1.00 0.00 C +HETATM 604 O1 HMW A 51 12.578 25.225 3.108 1.00 0.00 O +HETATM 605 H1 HMW A 51 10.428 27.670 3.671 1.00 0.00 H +HETATM 606 H2 HMW A 51 10.316 26.033 4.338 1.00 0.00 H +HETATM 607 H3 HMW A 51 10.210 27.430 5.411 1.00 0.00 H +HETATM 608 H4 HMW A 51 12.565 28.015 4.979 1.00 0.00 H +HETATM 609 H5 HMW A 51 12.475 26.355 5.544 1.00 0.00 H +HETATM 610 H6 HMW A 51 14.040 26.583 3.631 1.00 0.00 H +HETATM 611 H7 HMW A 51 12.750 27.225 2.622 1.00 0.00 H +HETATM 612 H8 HMW A 51 12.668 24.611 3.868 1.00 0.00 H +HETATM 613 C1 HMW A 52 5.146 3.129 19.020 1.00 0.00 C +HETATM 614 C2 HMW A 52 5.294 4.624 19.343 1.00 0.00 C +HETATM 615 C3 HMW A 52 6.769 5.049 19.403 1.00 0.00 C +HETATM 616 O1 HMW A 52 7.421 4.438 20.511 1.00 0.00 O +HETATM 617 H1 HMW A 52 5.595 2.902 18.053 1.00 0.00 H +HETATM 618 H2 HMW A 52 5.636 2.519 19.780 1.00 0.00 H +HETATM 619 H3 HMW A 52 4.092 2.854 18.984 1.00 0.00 H +HETATM 620 H4 HMW A 52 4.785 5.205 18.573 1.00 0.00 H +HETATM 621 H5 HMW A 52 4.806 4.850 20.292 1.00 0.00 H +HETATM 622 H6 HMW A 52 6.834 6.133 19.500 1.00 0.00 H +HETATM 623 H7 HMW A 52 7.274 4.770 18.478 1.00 0.00 H +HETATM 624 H8 HMW A 52 7.022 4.710 21.364 1.00 0.00 H +HETATM 625 C1 HMW A 53 27.821 2.735 9.255 1.00 0.00 C +HETATM 626 C2 HMW A 53 27.095 3.587 10.308 1.00 0.00 C +HETATM 627 C3 HMW A 53 26.884 5.031 9.832 1.00 0.00 C +HETATM 628 O1 HMW A 53 28.138 5.675 9.615 1.00 0.00 O +HETATM 629 H1 HMW A 53 27.262 2.725 8.319 1.00 0.00 H +HETATM 630 H2 HMW A 53 28.819 3.130 9.062 1.00 0.00 H +HETATM 631 H3 HMW A 53 27.922 1.708 9.607 1.00 0.00 H +HETATM 632 H4 HMW A 53 26.124 3.138 10.518 1.00 0.00 H +HETATM 633 H5 HMW A 53 27.663 3.586 11.239 1.00 0.00 H +HETATM 634 H6 HMW A 53 26.315 5.583 10.580 1.00 0.00 H +HETATM 635 H7 HMW A 53 26.303 5.033 8.910 1.00 0.00 H +HETATM 636 H8 HMW A 53 28.667 5.736 10.439 1.00 0.00 H +HETATM 637 C1 HMW A 54 14.377 16.249 6.178 1.00 0.00 C +HETATM 638 C2 HMW A 54 13.829 16.889 7.466 1.00 0.00 C +HETATM 639 C3 HMW A 54 12.360 16.512 7.705 1.00 0.00 C +HETATM 640 O1 HMW A 54 11.533 17.049 6.674 1.00 0.00 O +HETATM 641 H1 HMW A 54 14.251 15.167 6.203 1.00 0.00 H +HETATM 642 H2 HMW A 54 13.855 16.635 5.302 1.00 0.00 H +HETATM 643 H3 HMW A 54 15.439 16.471 6.067 1.00 0.00 H +HETATM 644 H4 HMW A 54 14.424 16.546 8.313 1.00 0.00 H +HETATM 645 H5 HMW A 54 13.932 17.973 7.416 1.00 0.00 H +HETATM 646 H6 HMW A 54 12.036 16.893 8.674 1.00 0.00 H +HETATM 647 H7 HMW A 54 12.258 15.427 7.732 1.00 0.00 H +HETATM 648 H8 HMW A 54 11.527 18.030 6.673 1.00 0.00 H +HETATM 649 C1 HMW A 55 12.501 6.471 8.314 1.00 0.00 C +HETATM 650 C2 HMW A 55 12.783 7.289 7.046 1.00 0.00 C +HETATM 651 C3 HMW A 55 11.800 6.947 5.914 1.00 0.00 C +HETATM 652 O1 HMW A 55 11.936 5.584 5.517 1.00 0.00 O +HETATM 653 H1 HMW A 55 11.482 6.641 8.662 1.00 0.00 H +HETATM 654 H2 HMW A 55 12.630 5.407 8.116 1.00 0.00 H +HETATM 655 H3 HMW A 55 13.190 6.757 9.109 1.00 0.00 H +HETATM 656 H4 HMW A 55 12.701 8.351 7.279 1.00 0.00 H +HETATM 657 H5 HMW A 55 13.805 7.107 6.713 1.00 0.00 H +HETATM 658 H6 HMW A 55 11.991 7.596 5.059 1.00 0.00 H +HETATM 659 H7 HMW A 55 10.777 7.134 6.242 1.00 0.00 H +HETATM 660 H8 HMW A 55 12.848 5.375 5.221 1.00 0.00 H +HETATM 661 C1 HMW A 56 12.431 19.027 3.927 1.00 0.00 C +HETATM 662 C2 HMW A 56 13.296 19.262 2.678 1.00 0.00 C +HETATM 663 C3 HMW A 56 14.774 18.923 2.926 1.00 0.00 C +HETATM 664 O1 HMW A 56 15.356 19.906 3.779 1.00 0.00 O +HETATM 665 H1 HMW A 56 12.406 17.965 4.171 1.00 0.00 H +HETATM 666 H2 HMW A 56 12.828 19.568 4.786 1.00 0.00 H +HETATM 667 H3 HMW A 56 11.409 19.359 3.747 1.00 0.00 H +HETATM 668 H4 HMW A 56 12.917 18.648 1.860 1.00 0.00 H +HETATM 669 H5 HMW A 56 13.211 20.304 2.367 1.00 0.00 H +HETATM 670 H6 HMW A 56 15.310 18.913 1.977 1.00 0.00 H +HETATM 671 H7 HMW A 56 14.865 17.930 3.368 1.00 0.00 H +HETATM 672 H8 HMW A 56 16.308 19.734 3.942 1.00 0.00 H +HETATM 673 C1 HMW A 57 5.802 21.505 2.304 1.00 0.00 C +HETATM 674 C2 HMW A 57 5.536 20.396 1.274 1.00 0.00 C +HETATM 675 C3 HMW A 57 5.793 20.875 -0.164 1.00 0.00 C +HETATM 676 O1 HMW A 57 4.888 21.920 -0.515 1.00 0.00 O +HETATM 677 H1 HMW A 57 6.823 21.874 2.213 1.00 0.00 H +HETATM 678 H2 HMW A 57 5.110 22.336 2.164 1.00 0.00 H +HETATM 679 H3 HMW A 57 5.668 21.118 3.315 1.00 0.00 H +HETATM 680 H4 HMW A 57 6.190 19.550 1.488 1.00 0.00 H +HETATM 681 H5 HMW A 57 4.510 20.042 1.369 1.00 0.00 H +HETATM 682 H6 HMW A 57 5.667 20.038 -0.850 1.00 0.00 H +HETATM 683 H7 HMW A 57 6.820 21.228 -0.262 1.00 0.00 H +HETATM 684 H8 HMW A 57 3.952 21.647 -0.402 1.00 0.00 H +HETATM 685 C1 HMW A 58 1.547 12.381 22.857 1.00 0.00 C +HETATM 686 C2 HMW A 58 1.159 11.312 23.890 1.00 0.00 C +HETATM 687 C3 HMW A 58 1.130 11.883 25.315 1.00 0.00 C +HETATM 688 O1 HMW A 58 2.418 12.380 25.679 1.00 0.00 O +HETATM 689 H1 HMW A 58 0.849 13.218 22.895 1.00 0.00 H +HETATM 690 H2 HMW A 58 2.552 12.754 23.053 1.00 0.00 H +HETATM 691 H3 HMW A 58 1.522 11.960 21.852 1.00 0.00 H +HETATM 692 H4 HMW A 58 0.171 10.922 23.643 1.00 0.00 H +HETATM 693 H5 HMW A 58 1.856 10.475 23.842 1.00 0.00 H +HETATM 694 H6 HMW A 58 0.825 11.104 26.014 1.00 0.00 H +HETATM 695 H7 HMW A 58 0.394 12.685 25.375 1.00 0.00 H +HETATM 696 H8 HMW A 58 3.089 11.664 25.692 1.00 0.00 H +HETATM 697 C1 HMW A 59 15.049 17.622 12.537 1.00 0.00 C +HETATM 698 C2 HMW A 59 16.369 17.841 11.776 1.00 0.00 C +HETATM 699 C3 HMW A 59 17.055 16.512 11.423 1.00 0.00 C +HETATM 700 O1 HMW A 59 17.425 15.812 12.614 1.00 0.00 O +HETATM 701 H1 HMW A 59 14.364 17.013 11.947 1.00 0.00 H +HETATM 702 H2 HMW A 59 15.230 17.123 13.490 1.00 0.00 H +HETATM 703 H3 HMW A 59 14.569 18.579 12.740 1.00 0.00 H +HETATM 704 H4 HMW A 59 16.161 18.386 10.856 1.00 0.00 H +HETATM 705 H5 HMW A 59 17.043 18.458 12.372 1.00 0.00 H +HETATM 706 H6 HMW A 59 17.946 16.707 10.825 1.00 0.00 H +HETATM 707 H7 HMW A 59 16.386 15.900 10.819 1.00 0.00 H +HETATM 708 H8 HMW A 59 18.077 16.319 13.143 1.00 0.00 H +HETATM 709 C1 HMW A 60 28.750 5.921 17.330 1.00 0.00 C +HETATM 710 C2 HMW A 60 27.500 6.819 17.318 1.00 0.00 C +HETATM 711 C3 HMW A 60 27.863 8.309 17.297 1.00 0.00 C +HETATM 712 O1 HMW A 60 28.580 8.651 18.481 1.00 0.00 O +HETATM 713 H1 HMW A 60 29.378 6.129 16.464 1.00 0.00 H +HETATM 714 H2 HMW A 60 29.335 6.088 18.234 1.00 0.00 H +HETATM 715 H3 HMW A 60 28.458 4.871 17.301 1.00 0.00 H +HETATM 716 H4 HMW A 60 26.901 6.586 16.438 1.00 0.00 H +HETATM 717 H5 HMW A 60 26.888 6.607 18.194 1.00 0.00 H +HETATM 718 H6 HMW A 60 26.952 8.905 17.238 1.00 0.00 H +HETATM 719 H7 HMW A 60 28.466 8.535 16.417 1.00 0.00 H +HETATM 720 H8 HMW A 60 28.101 8.360 19.287 1.00 0.00 H +HETATM 721 C1 HMW A 61 13.131 2.071 23.584 1.00 0.00 C +HETATM 722 C2 HMW A 61 12.505 0.786 24.156 1.00 0.00 C +HETATM 723 C3 HMW A 61 11.024 0.982 24.518 1.00 0.00 C +HETATM 724 O1 HMW A 61 10.889 1.965 25.539 1.00 0.00 O +HETATM 725 H1 HMW A 61 12.588 2.401 22.699 1.00 0.00 H +HETATM 726 H2 HMW A 61 13.106 2.870 24.326 1.00 0.00 H +HETATM 727 H3 HMW A 61 14.170 1.891 23.308 1.00 0.00 H +HETATM 728 H4 HMW A 61 12.589 -0.013 23.419 1.00 0.00 H +HETATM 729 H5 HMW A 61 13.058 0.471 25.041 1.00 0.00 H +HETATM 730 H6 HMW A 61 10.604 0.038 24.864 1.00 0.00 H +HETATM 731 H7 HMW A 61 10.463 1.287 23.634 1.00 0.00 H +HETATM 732 H8 HMW A 61 11.360 1.709 26.360 1.00 0.00 H +HETATM 733 C1 HMW A 62 20.929 10.691 8.166 1.00 0.00 C +HETATM 734 C2 HMW A 62 22.140 10.594 7.227 1.00 0.00 C +HETATM 735 C3 HMW A 62 22.048 9.392 6.275 1.00 0.00 C +HETATM 736 O1 HMW A 62 22.157 8.173 7.008 1.00 0.00 O +HETATM 737 H1 HMW A 62 20.016 10.856 7.593 1.00 0.00 H +HETATM 738 H2 HMW A 62 20.822 9.779 8.754 1.00 0.00 H +HETATM 739 H3 HMW A 62 21.051 11.527 8.855 1.00 0.00 H +HETATM 740 H4 HMW A 62 22.214 11.511 6.641 1.00 0.00 H +HETATM 741 H5 HMW A 62 23.048 10.510 7.824 1.00 0.00 H +HETATM 742 H6 HMW A 62 22.855 9.444 5.544 1.00 0.00 H +HETATM 743 H7 HMW A 62 21.106 9.418 5.727 1.00 0.00 H +HETATM 744 H8 HMW A 62 23.065 8.060 7.361 1.00 0.00 H +HETATM 745 C1 HMW A 63 24.067 6.348 3.214 1.00 0.00 C +HETATM 746 C2 HMW A 63 23.989 7.410 2.104 1.00 0.00 C +HETATM 747 C3 HMW A 63 22.805 8.363 2.314 1.00 0.00 C +HETATM 748 O1 HMW A 63 21.583 7.633 2.337 1.00 0.00 O +HETATM 749 H1 HMW A 63 24.096 6.820 4.196 1.00 0.00 H +HETATM 750 H2 HMW A 63 23.200 5.689 3.172 1.00 0.00 H +HETATM 751 H3 HMW A 63 24.964 5.740 3.091 1.00 0.00 H +HETATM 752 H4 HMW A 63 24.914 7.988 2.093 1.00 0.00 H +HETATM 753 H5 HMW A 63 23.901 6.922 1.133 1.00 0.00 H +HETATM 754 H6 HMW A 63 22.777 9.100 1.512 1.00 0.00 H +HETATM 755 H7 HMW A 63 22.928 8.902 3.254 1.00 0.00 H +HETATM 756 H8 HMW A 63 21.402 7.198 1.476 1.00 0.00 H +HETATM 757 C1 HMW A 64 15.667 4.613 9.044 1.00 0.00 C +HETATM 758 C2 HMW A 64 17.128 4.892 9.424 1.00 0.00 C +HETATM 759 C3 HMW A 64 18.100 4.590 8.277 1.00 0.00 C +HETATM 760 O1 HMW A 64 18.155 3.184 8.046 1.00 0.00 O +HETATM 761 H1 HMW A 64 15.365 5.247 8.209 1.00 0.00 H +HETATM 762 H2 HMW A 64 15.534 3.568 8.764 1.00 0.00 H +HETATM 763 H3 HMW A 64 15.013 4.828 9.888 1.00 0.00 H +HETATM 764 H4 HMW A 64 17.227 5.940 9.710 1.00 0.00 H +HETATM 765 H5 HMW A 64 17.400 4.291 10.291 1.00 0.00 H +HETATM 766 H6 HMW A 64 19.091 4.956 8.546 1.00 0.00 H +HETATM 767 H7 HMW A 64 17.795 5.106 7.366 1.00 0.00 H +HETATM 768 H8 HMW A 64 18.327 2.688 8.875 1.00 0.00 H +HETATM 769 C1 HMW A 65 22.371 22.922 11.846 1.00 0.00 C +HETATM 770 C2 HMW A 65 20.869 22.610 11.959 1.00 0.00 C +HETATM 771 C3 HMW A 65 20.579 21.509 12.993 1.00 0.00 C +HETATM 772 O1 HMW A 65 21.178 20.280 12.588 1.00 0.00 O +HETATM 773 H1 HMW A 65 22.763 23.272 12.801 1.00 0.00 H +HETATM 774 H2 HMW A 65 22.929 22.037 11.539 1.00 0.00 H +HETATM 775 H3 HMW A 65 22.537 23.703 11.104 1.00 0.00 H +HETATM 776 H4 HMW A 65 20.339 23.518 12.248 1.00 0.00 H +HETATM 777 H5 HMW A 65 20.483 22.308 10.986 1.00 0.00 H +HETATM 778 H6 HMW A 65 19.502 21.375 13.086 1.00 0.00 H +HETATM 779 H7 HMW A 65 20.959 21.804 13.971 1.00 0.00 H +HETATM 780 H8 HMW A 65 20.962 20.061 11.656 1.00 0.00 H +HETATM 781 C1 HMW A 66 1.438 9.152 20.750 1.00 0.00 C +HETATM 782 C2 HMW A 66 1.429 7.625 20.914 1.00 0.00 C +HETATM 783 C3 HMW A 66 1.220 7.206 22.377 1.00 0.00 C +HETATM 784 O1 HMW A 66 2.261 7.735 23.199 1.00 0.00 O +HETATM 785 H1 HMW A 66 0.483 9.574 21.065 1.00 0.00 H +HETATM 786 H2 HMW A 66 2.230 9.600 21.350 1.00 0.00 H +HETATM 787 H3 HMW A 66 1.609 9.417 19.707 1.00 0.00 H +HETATM 788 H4 HMW A 66 0.632 7.202 20.303 1.00 0.00 H +HETATM 789 H5 HMW A 66 2.370 7.211 20.550 1.00 0.00 H +HETATM 790 H6 HMW A 66 1.218 6.118 22.445 1.00 0.00 H +HETATM 791 H7 HMW A 66 0.252 7.558 22.731 1.00 0.00 H +HETATM 792 H8 HMW A 66 3.149 7.516 22.846 1.00 0.00 H +HETATM 793 C1 HMW A 67 5.452 26.874 13.536 1.00 0.00 C +HETATM 794 C2 HMW A 67 5.126 26.260 14.908 1.00 0.00 C +HETATM 795 C3 HMW A 67 4.822 24.759 14.805 1.00 0.00 C +HETATM 796 O1 HMW A 67 3.658 24.542 14.008 1.00 0.00 O +HETATM 797 H1 HMW A 67 6.290 26.353 13.072 1.00 0.00 H +HETATM 798 H2 HMW A 67 4.590 26.813 12.871 1.00 0.00 H +HETATM 799 H3 HMW A 67 5.721 27.925 13.649 1.00 0.00 H +HETATM 800 H4 HMW A 67 5.977 26.404 15.574 1.00 0.00 H +HETATM 801 H5 HMW A 67 4.276 26.778 15.352 1.00 0.00 H +HETATM 802 H6 HMW A 67 4.665 24.348 15.803 1.00 0.00 H +HETATM 803 H7 HMW A 67 5.674 24.239 14.366 1.00 0.00 H +HETATM 804 H8 HMW A 67 2.857 24.936 14.416 1.00 0.00 H +HETATM 805 C1 HMW A 68 19.666 12.514 1.437 1.00 0.00 C +HETATM 806 C2 HMW A 68 20.212 11.398 2.344 1.00 0.00 C +HETATM 807 C3 HMW A 68 19.508 11.368 3.709 1.00 0.00 C +HETATM 808 O1 HMW A 68 19.765 12.573 4.431 1.00 0.00 O +HETATM 809 H1 HMW A 68 18.594 12.388 1.283 1.00 0.00 H +HETATM 810 H2 HMW A 68 19.840 13.495 1.879 1.00 0.00 H +HETATM 811 H3 HMW A 68 20.153 12.480 0.463 1.00 0.00 H +HETATM 812 H4 HMW A 68 20.071 10.437 1.851 1.00 0.00 H +HETATM 813 H5 HMW A 68 21.285 11.523 2.490 1.00 0.00 H +HETATM 814 H6 HMW A 68 19.877 10.518 4.283 1.00 0.00 H +HETATM 815 H7 HMW A 68 18.435 11.230 3.578 1.00 0.00 H +HETATM 816 H8 HMW A 68 20.708 12.837 4.380 1.00 0.00 H +HETATM 817 C1 HMW A 69 18.984 19.452 9.179 1.00 0.00 C +HETATM 818 C2 HMW A 69 18.340 19.336 7.785 1.00 0.00 C +HETATM 819 C3 HMW A 69 17.004 18.583 7.831 1.00 0.00 C +HETATM 820 O1 HMW A 69 17.209 17.245 8.279 1.00 0.00 O +HETATM 821 H1 HMW A 69 18.302 19.940 9.875 1.00 0.00 H +HETATM 822 H2 HMW A 69 19.235 18.465 9.568 1.00 0.00 H +HETATM 823 H3 HMW A 69 19.899 20.042 9.122 1.00 0.00 H +HETATM 824 H4 HMW A 69 18.167 20.336 7.386 1.00 0.00 H +HETATM 825 H5 HMW A 69 19.022 18.827 7.105 1.00 0.00 H +HETATM 826 H6 HMW A 69 16.554 18.573 6.838 1.00 0.00 H +HETATM 827 H7 HMW A 69 16.313 19.096 8.500 1.00 0.00 H +HETATM 828 H8 HMW A 69 17.686 16.707 7.611 1.00 0.00 H +HETATM 829 C1 HMW A 70 19.603 19.566 17.464 1.00 0.00 C +HETATM 830 C2 HMW A 70 20.499 19.250 16.255 1.00 0.00 C +HETATM 831 C3 HMW A 70 21.510 18.132 16.557 1.00 0.00 C +HETATM 832 O1 HMW A 70 22.435 18.565 17.556 1.00 0.00 O +HETATM 833 H1 HMW A 70 19.018 18.690 17.745 1.00 0.00 H +HETATM 834 H2 HMW A 70 20.200 19.878 18.321 1.00 0.00 H +HETATM 835 H3 HMW A 70 18.911 20.372 17.219 1.00 0.00 H +HETATM 836 H4 HMW A 70 19.872 18.946 15.416 1.00 0.00 H +HETATM 837 H5 HMW A 70 21.030 20.151 15.947 1.00 0.00 H +HETATM 838 H6 HMW A 70 22.053 17.879 15.647 1.00 0.00 H +HETATM 839 H7 HMW A 70 20.992 17.232 16.890 1.00 0.00 H +HETATM 840 H8 HMW A 70 22.796 19.453 17.350 1.00 0.00 H +HETATM 841 C1 HMW A 71 14.164 18.713 16.927 1.00 0.00 C +HETATM 842 C2 HMW A 71 13.285 18.942 18.168 1.00 0.00 C +HETATM 843 C3 HMW A 71 12.443 17.702 18.500 1.00 0.00 C +HETATM 844 O1 HMW A 71 11.423 17.526 17.520 1.00 0.00 O +HETATM 845 H1 HMW A 71 14.845 17.878 17.092 1.00 0.00 H +HETATM 846 H2 HMW A 71 13.549 18.493 16.054 1.00 0.00 H +HETATM 847 H3 HMW A 71 14.755 19.604 16.716 1.00 0.00 H +HETATM 848 H4 HMW A 71 13.928 19.177 19.016 1.00 0.00 H +HETATM 849 H5 HMW A 71 12.632 19.801 18.011 1.00 0.00 H +HETATM 850 H6 HMW A 71 11.981 17.830 19.479 1.00 0.00 H +HETATM 851 H7 HMW A 71 13.078 16.818 18.547 1.00 0.00 H +HETATM 852 H8 HMW A 71 10.753 18.242 17.566 1.00 0.00 H +HETATM 853 C1 HMW A 72 2.295 7.382 17.323 1.00 0.00 C +HETATM 854 C2 HMW A 72 3.114 8.371 16.475 1.00 0.00 C +HETATM 855 C3 HMW A 72 4.346 7.695 15.858 1.00 0.00 C +HETATM 856 O1 HMW A 72 5.346 7.431 16.852 1.00 0.00 O +HETATM 857 H1 HMW A 72 1.957 6.546 16.712 1.00 0.00 H +HETATM 858 H2 HMW A 72 2.894 6.989 18.145 1.00 0.00 H +HETATM 859 H3 HMW A 72 1.417 7.877 17.738 1.00 0.00 H +HETATM 860 H4 HMW A 72 2.481 8.749 15.672 1.00 0.00 H +HETATM 861 H5 HMW A 72 3.418 9.227 17.078 1.00 0.00 H +HETATM 862 H6 HMW A 72 4.766 8.341 15.087 1.00 0.00 H +HETATM 863 H7 HMW A 72 4.049 6.767 15.370 1.00 0.00 H +HETATM 864 H8 HMW A 72 5.988 6.763 16.530 1.00 0.00 H +HETATM 865 C1 HMW A 73 7.204 1.183 24.498 1.00 0.00 C +HETATM 866 C2 HMW A 73 6.047 0.736 23.587 1.00 0.00 C +HETATM 867 C3 HMW A 73 5.511 1.899 22.739 1.00 0.00 C +HETATM 868 O1 HMW A 73 4.956 2.913 23.581 1.00 0.00 O +HETATM 869 H1 HMW A 73 8.016 1.603 23.905 1.00 0.00 H +HETATM 870 H2 HMW A 73 6.868 1.937 25.210 1.00 0.00 H +HETATM 871 H3 HMW A 73 7.593 0.332 25.058 1.00 0.00 H +HETATM 872 H4 HMW A 73 6.400 -0.053 22.924 1.00 0.00 H +HETATM 873 H5 HMW A 73 5.241 0.316 24.190 1.00 0.00 H +HETATM 874 H6 HMW A 73 4.747 1.533 22.054 1.00 0.00 H +HETATM 875 H7 HMW A 73 6.318 2.317 22.136 1.00 0.00 H +HETATM 876 H8 HMW A 73 4.199 2.575 24.105 1.00 0.00 H +HETATM 877 C1 HMW A 74 28.044 11.565 15.053 1.00 0.00 C +HETATM 878 C2 HMW A 74 26.523 11.376 14.931 1.00 0.00 C +HETATM 879 C3 HMW A 74 25.945 12.143 13.733 1.00 0.00 C +HETATM 880 O1 HMW A 74 26.158 13.550 13.876 1.00 0.00 O +HETATM 881 H1 HMW A 74 28.548 11.197 14.159 1.00 0.00 H +HETATM 882 H2 HMW A 74 28.295 12.618 15.184 1.00 0.00 H +HETATM 883 H3 HMW A 74 28.424 11.016 15.915 1.00 0.00 H +HETATM 884 H4 HMW A 74 26.305 10.314 14.815 1.00 0.00 H +HETATM 885 H5 HMW A 74 26.032 11.702 15.849 1.00 0.00 H +HETATM 886 H6 HMW A 74 24.878 11.939 13.646 1.00 0.00 H +HETATM 887 H7 HMW A 74 26.418 11.796 12.814 1.00 0.00 H +HETATM 888 H8 HMW A 74 25.634 13.933 14.612 1.00 0.00 H +HETATM 889 C1 HMW A 75 10.393 21.760 0.866 1.00 0.00 C +HETATM 890 C2 HMW A 75 10.492 22.273 2.312 1.00 0.00 C +HETATM 891 C3 HMW A 75 9.690 23.568 2.503 1.00 0.00 C +HETATM 892 O1 HMW A 75 10.295 24.643 1.787 1.00 0.00 O +HETATM 893 H1 HMW A 75 9.353 21.567 0.601 1.00 0.00 H +HETATM 894 H2 HMW A 75 10.797 22.495 0.169 1.00 0.00 H +HETATM 895 H3 HMW A 75 10.953 20.832 0.757 1.00 0.00 H +HETATM 896 H4 HMW A 75 10.102 21.511 2.987 1.00 0.00 H +HETATM 897 H5 HMW A 75 11.535 22.441 2.579 1.00 0.00 H +HETATM 898 H6 HMW A 75 9.646 23.817 3.563 1.00 0.00 H +HETATM 899 H7 HMW A 75 8.667 23.423 2.154 1.00 0.00 H +HETATM 900 H8 HMW A 75 11.174 24.873 2.156 1.00 0.00 H +HETATM 901 C1 HMW A 76 18.950 18.690 1.561 1.00 0.00 C +HETATM 902 C2 HMW A 76 19.510 18.221 2.914 1.00 0.00 C +HETATM 903 C3 HMW A 76 18.431 18.223 4.007 1.00 0.00 C +HETATM 904 O1 HMW A 76 17.964 19.552 4.239 1.00 0.00 O +HETATM 905 H1 HMW A 76 18.113 18.060 1.259 1.00 0.00 H +HETATM 906 H2 HMW A 76 18.605 19.723 1.621 1.00 0.00 H +HETATM 907 H3 HMW A 76 19.722 18.629 0.794 1.00 0.00 H +HETATM 908 H4 HMW A 76 19.900 17.209 2.805 1.00 0.00 H +HETATM 909 H5 HMW A 76 20.340 18.860 3.214 1.00 0.00 H +HETATM 910 H6 HMW A 76 18.849 17.818 4.928 1.00 0.00 H +HETATM 911 H7 HMW A 76 17.601 17.581 3.713 1.00 0.00 H +HETATM 912 H8 HMW A 76 18.686 20.143 4.541 1.00 0.00 H +HETATM 913 C1 HMW A 77 23.792 26.703 3.551 1.00 0.00 C +HETATM 914 C2 HMW A 77 22.419 27.285 3.933 1.00 0.00 C +HETATM 915 C3 HMW A 77 21.421 26.186 4.333 1.00 0.00 C +HETATM 916 O1 HMW A 77 21.198 25.301 3.232 1.00 0.00 O +HETATM 917 H1 HMW A 77 24.207 26.129 4.380 1.00 0.00 H +HETATM 918 H2 HMW A 77 23.709 26.052 2.681 1.00 0.00 H +HETATM 919 H3 HMW A 77 24.486 27.508 3.310 1.00 0.00 H +HETATM 920 H4 HMW A 77 22.546 27.973 4.768 1.00 0.00 H +HETATM 921 H5 HMW A 77 22.018 27.861 3.099 1.00 0.00 H +HETATM 922 H6 HMW A 77 20.478 26.640 4.638 1.00 0.00 H +HETATM 923 H7 HMW A 77 21.807 25.629 5.188 1.00 0.00 H +HETATM 924 H8 HMW A 77 20.836 25.779 2.455 1.00 0.00 H +HETATM 925 C1 HMW A 78 25.061 7.865 22.735 1.00 0.00 C +HETATM 926 C2 HMW A 78 25.320 9.090 21.842 1.00 0.00 C +HETATM 927 C3 HMW A 78 25.958 8.706 20.496 1.00 0.00 C +HETATM 928 O1 HMW A 78 27.178 7.995 20.700 1.00 0.00 O +HETATM 929 H1 HMW A 78 24.457 7.124 22.211 1.00 0.00 H +HETATM 930 H2 HMW A 78 26.003 7.401 23.028 1.00 0.00 H +HETATM 931 H3 HMW A 78 24.535 8.165 23.642 1.00 0.00 H +HETATM 932 H4 HMW A 78 24.380 9.609 21.653 1.00 0.00 H +HETATM 933 H5 HMW A 78 25.967 9.793 22.366 1.00 0.00 H +HETATM 934 H6 HMW A 78 26.152 9.609 19.918 1.00 0.00 H +HETATM 935 H7 HMW A 78 25.269 8.089 19.918 1.00 0.00 H +HETATM 936 H8 HMW A 78 27.728 8.415 21.396 1.00 0.00 H +HETATM 937 C1 HMW A 79 23.138 12.372 16.683 1.00 0.00 C +HETATM 938 C2 HMW A 79 22.541 13.729 16.273 1.00 0.00 C +HETATM 939 C3 HMW A 79 23.425 14.466 15.263 1.00 0.00 C +HETATM 940 O1 HMW A 79 24.693 14.768 15.850 1.00 0.00 O +HETATM 941 H1 HMW A 79 23.286 11.738 15.809 1.00 0.00 H +HETATM 942 H2 HMW A 79 24.094 12.507 17.190 1.00 0.00 H +HETATM 943 H3 HMW A 79 22.464 11.860 17.370 1.00 0.00 H +HETATM 944 H4 HMW A 79 21.561 13.569 15.824 1.00 0.00 H +HETATM 945 H5 HMW A 79 22.393 14.349 17.157 1.00 0.00 H +HETATM 946 H6 HMW A 79 22.934 15.391 14.960 1.00 0.00 H +HETATM 947 H7 HMW A 79 23.549 13.857 14.368 1.00 0.00 H +HETATM 948 H8 HMW A 79 24.592 15.434 16.564 1.00 0.00 H +HETATM 949 C1 HMW A 80 6.478 13.196 9.628 1.00 0.00 C +HETATM 950 C2 HMW A 80 7.773 12.409 9.364 1.00 0.00 C +HETATM 951 C3 HMW A 80 8.342 12.679 7.963 1.00 0.00 C +HETATM 952 O1 HMW A 80 7.378 12.353 6.957 1.00 0.00 O +HETATM 953 H1 HMW A 80 6.645 14.263 9.479 1.00 0.00 H +HETATM 954 H2 HMW A 80 5.684 12.873 8.954 1.00 0.00 H +HETATM 955 H3 HMW A 80 6.139 13.039 10.652 1.00 0.00 H +HETATM 956 H4 HMW A 80 8.525 12.695 10.099 1.00 0.00 H +HETATM 957 H5 HMW A 80 7.585 11.342 9.487 1.00 0.00 H +HETATM 958 H6 HMW A 80 9.244 12.086 7.815 1.00 0.00 H +HETATM 959 H7 HMW A 80 8.628 13.728 7.881 1.00 0.00 H +HETATM 960 H8 HMW A 80 7.084 11.419 7.026 1.00 0.00 H +HETATM 961 C1 HMW A 81 24.767 2.428 28.935 1.00 0.00 C +HETATM 962 C2 HMW A 81 24.163 1.373 27.993 1.00 0.00 C +HETATM 963 C3 HMW A 81 23.333 2.019 26.876 1.00 0.00 C +HETATM 964 O1 HMW A 81 22.191 2.680 27.429 1.00 0.00 O +HETATM 965 H1 HMW A 81 25.396 3.122 28.376 1.00 0.00 H +HETATM 966 H2 HMW A 81 23.983 2.996 29.436 1.00 0.00 H +HETATM 967 H3 HMW A 81 25.381 1.946 29.696 1.00 0.00 H +HETATM 968 H4 HMW A 81 24.970 0.795 27.543 1.00 0.00 H +HETATM 969 H5 HMW A 81 23.544 0.678 28.560 1.00 0.00 H +HETATM 970 H6 HMW A 81 23.009 1.253 26.171 1.00 0.00 H +HETATM 971 H7 HMW A 81 23.946 2.733 26.326 1.00 0.00 H +HETATM 972 H8 HMW A 81 21.603 2.049 27.897 1.00 0.00 H +HETATM 973 C1 HMW A 82 14.744 9.878 9.711 1.00 0.00 C +HETATM 974 C2 HMW A 82 15.581 8.889 10.541 1.00 0.00 C +HETATM 975 C3 HMW A 82 14.881 8.515 11.857 1.00 0.00 C +HETATM 976 O1 HMW A 82 14.764 9.663 12.697 1.00 0.00 O +HETATM 977 H1 HMW A 82 13.781 9.437 9.453 1.00 0.00 H +HETATM 978 H2 HMW A 82 14.571 10.800 10.267 1.00 0.00 H +HETATM 979 H3 HMW A 82 15.263 10.128 8.786 1.00 0.00 H +HETATM 980 H4 HMW A 82 15.746 7.985 9.955 1.00 0.00 H +HETATM 981 H5 HMW A 82 16.559 9.320 10.756 1.00 0.00 H +HETATM 982 H6 HMW A 82 15.459 7.747 12.372 1.00 0.00 H +HETATM 983 H7 HMW A 82 13.895 8.100 11.650 1.00 0.00 H +HETATM 984 H8 HMW A 82 15.644 10.030 12.930 1.00 0.00 H +HETATM 985 C1 HMW A 83 22.651 19.349 20.928 1.00 0.00 C +HETATM 986 C2 HMW A 83 22.284 18.763 22.301 1.00 0.00 C +HETATM 987 C3 HMW A 83 21.429 19.740 23.118 1.00 0.00 C +HETATM 988 O1 HMW A 83 22.211 20.877 23.475 1.00 0.00 O +HETATM 989 H1 HMW A 83 21.751 19.574 20.356 1.00 0.00 H +HETATM 990 H2 HMW A 83 23.223 20.270 21.043 1.00 0.00 H +HETATM 991 H3 HMW A 83 23.252 18.637 20.362 1.00 0.00 H +HETATM 992 H4 HMW A 83 21.727 17.836 22.158 1.00 0.00 H +HETATM 993 H5 HMW A 83 23.190 18.513 22.854 1.00 0.00 H +HETATM 994 H6 HMW A 83 21.069 19.250 24.023 1.00 0.00 H +HETATM 995 H7 HMW A 83 20.556 20.046 22.542 1.00 0.00 H +HETATM 996 H8 HMW A 83 22.865 20.655 24.173 1.00 0.00 H +HETATM 997 C1 HMW A 84 25.711 4.289 23.065 1.00 0.00 C +HETATM 998 C2 HMW A 84 25.285 2.982 22.378 1.00 0.00 C +HETATM 999 C3 HMW A 84 24.599 2.015 23.355 1.00 0.00 C +HETATM 1000 O1 HMW A 84 25.508 1.645 24.390 1.00 0.00 O +HETATM 1001 H1 HMW A 84 24.847 4.789 23.504 1.00 0.00 H +HETATM 1002 H2 HMW A 84 26.436 4.093 23.855 1.00 0.00 H +HETATM 1003 H3 HMW A 84 26.170 4.961 22.340 1.00 0.00 H +HETATM 1004 H4 HMW A 84 24.597 3.215 21.565 1.00 0.00 H +HETATM 1005 H5 HMW A 84 26.158 2.499 21.941 1.00 0.00 H +HETATM 1006 H6 HMW A 84 24.268 1.125 22.820 1.00 0.00 H +HETATM 1007 H7 HMW A 84 23.715 2.486 23.786 1.00 0.00 H +HETATM 1008 H8 HMW A 84 26.326 1.240 24.031 1.00 0.00 H +HETATM 1009 C1 HMW A 85 21.553 24.227 17.127 1.00 0.00 C +HETATM 1010 C2 HMW A 85 22.297 24.658 15.850 1.00 0.00 C +HETATM 1011 C3 HMW A 85 23.345 25.745 16.147 1.00 0.00 C +HETATM 1012 O1 HMW A 85 22.710 26.975 16.505 1.00 0.00 O +HETATM 1013 H1 HMW A 85 22.256 23.854 17.871 1.00 0.00 H +HETATM 1014 H2 HMW A 85 21.008 25.069 17.554 1.00 0.00 H +HETATM 1015 H3 HMW A 85 20.839 23.435 16.898 1.00 0.00 H +HETATM 1016 H4 HMW A 85 22.795 23.789 15.421 1.00 0.00 H +HETATM 1017 H5 HMW A 85 21.584 25.019 15.108 1.00 0.00 H +HETATM 1018 H6 HMW A 85 23.974 25.901 15.270 1.00 0.00 H +HETATM 1019 H7 HMW A 85 23.994 25.412 16.957 1.00 0.00 H +HETATM 1020 H8 HMW A 85 22.446 27.490 15.713 1.00 0.00 H +HETATM 1021 C1 HMW A 86 11.984 20.297 9.421 1.00 0.00 C +HETATM 1022 C2 HMW A 86 13.446 20.320 9.890 1.00 0.00 C +HETATM 1023 C3 HMW A 86 13.704 21.438 10.911 1.00 0.00 C +HETATM 1024 O1 HMW A 86 13.364 22.710 10.352 1.00 0.00 O +HETATM 1025 H1 HMW A 86 11.308 20.208 10.271 1.00 0.00 H +HETATM 1026 H2 HMW A 86 11.740 21.208 8.874 1.00 0.00 H +HETATM 1027 H3 HMW A 86 11.820 19.447 8.758 1.00 0.00 H +HETATM 1028 H4 HMW A 86 13.689 19.360 10.346 1.00 0.00 H +HETATM 1029 H5 HMW A 86 14.105 20.443 9.031 1.00 0.00 H +HETATM 1030 H6 HMW A 86 14.757 21.430 11.195 1.00 0.00 H +HETATM 1031 H7 HMW A 86 13.119 21.260 11.813 1.00 0.00 H +HETATM 1032 H8 HMW A 86 13.739 22.822 9.453 1.00 0.00 H +HETATM 1033 C1 HMW A 87 22.571 9.204 19.063 1.00 0.00 C +HETATM 1034 C2 HMW A 87 21.956 8.368 20.201 1.00 0.00 C +HETATM 1035 C3 HMW A 87 21.004 9.194 21.076 1.00 0.00 C +HETATM 1036 O1 HMW A 87 21.669 10.348 21.591 1.00 0.00 O +HETATM 1037 H1 HMW A 87 21.787 9.656 18.455 1.00 0.00 H +HETATM 1038 H2 HMW A 87 23.200 10.000 19.461 1.00 0.00 H +HETATM 1039 H3 HMW A 87 23.185 8.577 18.417 1.00 0.00 H +HETATM 1040 H4 HMW A 87 21.402 7.531 19.775 1.00 0.00 H +HETATM 1041 H5 HMW A 87 22.749 7.945 20.818 1.00 0.00 H +HETATM 1042 H6 HMW A 87 20.631 8.583 21.898 1.00 0.00 H +HETATM 1043 H7 HMW A 87 20.142 9.499 20.483 1.00 0.00 H +HETATM 1044 H8 HMW A 87 22.362 10.108 22.243 1.00 0.00 H +HETATM 1045 C1 HMW A 88 8.201 22.543 13.977 1.00 0.00 C +HETATM 1046 C2 HMW A 88 7.509 21.743 12.864 1.00 0.00 C +HETATM 1047 C3 HMW A 88 8.444 21.507 11.668 1.00 0.00 C +HETATM 1048 O1 HMW A 88 8.746 22.747 11.020 1.00 0.00 O +HETATM 1049 H1 HMW A 88 9.101 22.029 14.314 1.00 0.00 H +HETATM 1050 H2 HMW A 88 8.477 23.537 13.624 1.00 0.00 H +HETATM 1051 H3 HMW A 88 7.532 22.655 14.830 1.00 0.00 H +HETATM 1052 H4 HMW A 88 7.192 20.779 13.263 1.00 0.00 H +HETATM 1053 H5 HMW A 88 6.610 22.264 12.535 1.00 0.00 H +HETATM 1054 H6 HMW A 88 7.960 20.831 10.963 1.00 0.00 H +HETATM 1055 H7 HMW A 88 9.364 21.025 12.000 1.00 0.00 H +HETATM 1056 H8 HMW A 88 7.932 23.259 10.826 1.00 0.00 H +HETATM 1057 C1 HMW A 89 7.155 6.153 26.845 1.00 0.00 C +HETATM 1058 C2 HMW A 89 8.640 6.480 27.076 1.00 0.00 C +HETATM 1059 C3 HMW A 89 8.846 7.884 27.663 1.00 0.00 C +HETATM 1060 O1 HMW A 89 8.273 8.876 26.811 1.00 0.00 O +HETATM 1061 H1 HMW A 89 6.594 6.241 27.776 1.00 0.00 H +HETATM 1062 H2 HMW A 89 6.719 6.830 26.110 1.00 0.00 H +HETATM 1063 H3 HMW A 89 7.049 5.133 26.477 1.00 0.00 H +HETATM 1064 H4 HMW A 89 9.068 5.744 27.757 1.00 0.00 H +HETATM 1065 H5 HMW A 89 9.182 6.397 26.134 1.00 0.00 H +HETATM 1066 H6 HMW A 89 9.913 8.075 27.782 1.00 0.00 H +HETATM 1067 H7 HMW A 89 8.391 7.942 28.652 1.00 0.00 H +HETATM 1068 H8 HMW A 89 8.618 8.816 25.894 1.00 0.00 H +HETATM 1069 C1 HMW A 90 13.379 8.229 2.593 1.00 0.00 C +HETATM 1070 C2 HMW A 90 14.103 9.298 3.429 1.00 0.00 C +HETATM 1071 C3 HMW A 90 13.532 10.703 3.186 1.00 0.00 C +HETATM 1072 O1 HMW A 90 13.617 11.042 1.804 1.00 0.00 O +HETATM 1073 H1 HMW A 90 12.303 8.283 2.760 1.00 0.00 H +HETATM 1074 H2 HMW A 90 13.559 8.385 1.529 1.00 0.00 H +HETATM 1075 H3 HMW A 90 13.729 7.234 2.865 1.00 0.00 H +HETATM 1076 H4 HMW A 90 14.000 9.056 4.487 1.00 0.00 H +HETATM 1077 H5 HMW A 90 15.166 9.291 3.186 1.00 0.00 H +HETATM 1078 H6 HMW A 90 14.085 11.431 3.779 1.00 0.00 H +HETATM 1079 H7 HMW A 90 12.489 10.741 3.501 1.00 0.00 H +HETATM 1080 H8 HMW A 90 14.538 10.973 1.472 1.00 0.00 H +HETATM 1081 C1 HMW A 91 25.559 1.241 12.948 1.00 0.00 C +HETATM 1082 C2 HMW A 91 25.453 2.598 13.662 1.00 0.00 C +HETATM 1083 C3 HMW A 91 26.101 2.566 15.054 1.00 0.00 C +HETATM 1084 O1 HMW A 91 25.408 1.652 15.901 1.00 0.00 O +HETATM 1085 H1 HMW A 91 26.604 0.954 12.827 1.00 0.00 H +HETATM 1086 H2 HMW A 91 25.050 0.464 13.518 1.00 0.00 H +HETATM 1087 H3 HMW A 91 25.099 1.297 11.961 1.00 0.00 H +HETATM 1088 H4 HMW A 91 25.946 3.362 13.060 1.00 0.00 H +HETATM 1089 H5 HMW A 91 24.405 2.886 13.752 1.00 0.00 H +HETATM 1090 H6 HMW A 91 26.073 3.564 15.491 1.00 0.00 H +HETATM 1091 H7 HMW A 91 27.148 2.274 14.973 1.00 0.00 H +HETATM 1092 H8 HMW A 91 24.451 1.860 15.959 1.00 0.00 H +HETATM 1093 C1 HMW A 92 25.430 0.326 7.101 1.00 0.00 C +HETATM 1094 C2 HMW A 92 24.320 1.345 7.407 1.00 0.00 C +HETATM 1095 C3 HMW A 92 23.469 0.918 8.612 1.00 0.00 C +HETATM 1096 O1 HMW A 92 22.787 -0.303 8.329 1.00 0.00 O +HETATM 1097 H1 HMW A 92 26.080 0.196 7.966 1.00 0.00 H +HETATM 1098 H2 HMW A 92 25.003 -0.641 6.836 1.00 0.00 H +HETATM 1099 H3 HMW A 92 26.037 0.673 6.264 1.00 0.00 H +HETATM 1100 H4 HMW A 92 24.772 2.314 7.616 1.00 0.00 H +HETATM 1101 H5 HMW A 92 23.682 1.467 6.531 1.00 0.00 H +HETATM 1102 H6 HMW A 92 22.740 1.696 8.838 1.00 0.00 H +HETATM 1103 H7 HMW A 92 24.102 0.796 9.491 1.00 0.00 H +HETATM 1104 H8 HMW A 92 22.226 -0.226 7.528 1.00 0.00 H +HETATM 1105 C1 HMW A 93 16.345 15.485 24.026 1.00 0.00 C +HETATM 1106 C2 HMW A 93 15.256 15.212 22.978 1.00 0.00 C +HETATM 1107 C3 HMW A 93 15.840 14.978 21.578 1.00 0.00 C +HETATM 1108 O1 HMW A 93 16.598 16.113 21.163 1.00 0.00 O +HETATM 1109 H1 HMW A 93 17.030 14.639 24.094 1.00 0.00 H +HETATM 1110 H2 HMW A 93 16.917 16.375 23.766 1.00 0.00 H +HETATM 1111 H3 HMW A 93 15.894 15.638 25.007 1.00 0.00 H +HETATM 1112 H4 HMW A 93 14.679 14.335 23.275 1.00 0.00 H +HETATM 1113 H5 HMW A 93 14.565 16.055 22.948 1.00 0.00 H +HETATM 1114 H6 HMW A 93 15.028 14.799 20.873 1.00 0.00 H +HETATM 1115 H7 HMW A 93 16.476 14.092 21.579 1.00 0.00 H +HETATM 1116 H8 HMW A 93 16.055 16.930 21.169 1.00 0.00 H +HETATM 1117 C1 HMW A 94 6.391 8.425 8.183 1.00 0.00 C +HETATM 1118 C2 HMW A 94 5.605 8.338 6.864 1.00 0.00 C +HETATM 1119 C3 HMW A 94 4.330 9.197 6.895 1.00 0.00 C +HETATM 1120 O1 HMW A 94 3.453 8.741 7.920 1.00 0.00 O +HETATM 1121 H1 HMW A 94 6.671 9.457 8.394 1.00 0.00 H +HETATM 1122 H2 HMW A 94 5.794 8.049 9.014 1.00 0.00 H +HETATM 1123 H3 HMW A 94 7.300 7.826 8.119 1.00 0.00 H +HETATM 1124 H4 HMW A 94 6.241 8.673 6.044 1.00 0.00 H +HETATM 1125 H5 HMW A 94 5.342 7.299 6.663 1.00 0.00 H +HETATM 1126 H6 HMW A 94 3.825 9.133 5.931 1.00 0.00 H +HETATM 1127 H7 HMW A 94 4.587 10.243 7.064 1.00 0.00 H +HETATM 1128 H8 HMW A 94 3.242 7.788 7.821 1.00 0.00 H +HETATM 1129 C1 HMW A 95 19.015 28.426 19.703 1.00 0.00 C +HETATM 1130 C2 HMW A 95 19.734 27.081 19.511 1.00 0.00 C +HETATM 1131 C3 HMW A 95 20.487 26.657 20.781 1.00 0.00 C +HETATM 1132 O1 HMW A 95 21.547 27.573 21.055 1.00 0.00 O +HETATM 1133 H1 HMW A 95 18.273 28.360 20.500 1.00 0.00 H +HETATM 1134 H2 HMW A 95 19.730 29.204 19.970 1.00 0.00 H +HETATM 1135 H3 HMW A 95 18.509 28.720 18.783 1.00 0.00 H +HETATM 1136 H4 HMW A 95 19.002 26.316 19.252 1.00 0.00 H +HETATM 1137 H5 HMW A 95 20.434 27.156 18.678 1.00 0.00 H +HETATM 1138 H6 HMW A 95 20.899 25.657 20.645 1.00 0.00 H +HETATM 1139 H7 HMW A 95 19.799 26.619 21.626 1.00 0.00 H +HETATM 1140 H8 HMW A 95 22.220 27.565 20.341 1.00 0.00 H +HETATM 1141 C1 HMW A 96 18.111 13.398 26.477 1.00 0.00 C +HETATM 1142 C2 HMW A 96 18.374 12.526 27.716 1.00 0.00 C +HETATM 1143 C3 HMW A 96 18.595 11.051 27.350 1.00 0.00 C +HETATM 1144 O1 HMW A 96 17.418 10.511 26.749 1.00 0.00 O +HETATM 1145 H1 HMW A 96 18.952 13.347 25.786 1.00 0.00 H +HETATM 1146 H2 HMW A 96 17.209 13.069 25.960 1.00 0.00 H +HETATM 1147 H3 HMW A 96 17.976 14.439 26.775 1.00 0.00 H +HETATM 1148 H4 HMW A 96 19.256 12.899 28.237 1.00 0.00 H +HETATM 1149 H5 HMW A 96 17.534 12.609 28.406 1.00 0.00 H +HETATM 1150 H6 HMW A 96 18.827 10.491 28.256 1.00 0.00 H +HETATM 1151 H7 HMW A 96 19.443 10.949 26.673 1.00 0.00 H +HETATM 1152 H8 HMW A 96 17.333 10.779 25.809 1.00 0.00 H +HETATM 1153 C1 HMW A 97 10.372 6.499 0.727 1.00 0.00 C +HETATM 1154 C2 HMW A 97 10.377 5.802 2.099 1.00 0.00 C +HETATM 1155 C3 HMW A 97 11.370 4.632 2.146 1.00 0.00 C +HETATM 1156 O1 HMW A 97 10.978 3.621 1.215 1.00 0.00 O +HETATM 1157 H1 HMW A 97 11.374 6.839 0.465 1.00 0.00 H +HETATM 1158 H2 HMW A 97 10.020 5.820 -0.050 1.00 0.00 H +HETATM 1159 H3 HMW A 97 9.711 7.366 0.747 1.00 0.00 H +HETATM 1160 H4 HMW A 97 10.648 6.525 2.868 1.00 0.00 H +HETATM 1161 H5 HMW A 97 9.375 5.445 2.337 1.00 0.00 H +HETATM 1162 H6 HMW A 97 11.391 4.215 3.153 1.00 0.00 H +HETATM 1163 H7 HMW A 97 12.376 4.986 1.917 1.00 0.00 H +HETATM 1164 H8 HMW A 97 10.065 3.308 1.389 1.00 0.00 H +HETATM 1165 C1 HMW A 98 24.748 17.325 13.383 1.00 0.00 C +HETATM 1166 C2 HMW A 98 23.778 17.797 12.286 1.00 0.00 C +HETATM 1167 C3 HMW A 98 22.409 17.106 12.384 1.00 0.00 C +HETATM 1168 O1 HMW A 98 22.554 15.695 12.250 1.00 0.00 O +HETATM 1169 H1 HMW A 98 24.324 17.504 14.372 1.00 0.00 H +HETATM 1170 H2 HMW A 98 24.958 16.261 13.280 1.00 0.00 H +HETATM 1171 H3 HMW A 98 25.691 17.867 13.309 1.00 0.00 H +HETATM 1172 H4 HMW A 98 23.639 18.875 12.370 1.00 0.00 H +HETATM 1173 H5 HMW A 98 24.215 17.607 11.305 1.00 0.00 H +HETATM 1174 H6 HMW A 98 21.755 17.483 11.598 1.00 0.00 H +HETATM 1175 H7 HMW A 98 21.939 17.341 13.340 1.00 0.00 H +HETATM 1176 H8 HMW A 98 23.055 15.459 11.440 1.00 0.00 H +HETATM 1177 C1 HMW A 99 19.106 12.692 22.673 1.00 0.00 C +HETATM 1178 C2 HMW A 99 18.161 11.695 21.983 1.00 0.00 C +HETATM 1179 C3 HMW A 99 16.947 11.364 22.862 1.00 0.00 C +HETATM 1180 O1 HMW A 99 17.377 10.720 24.058 1.00 0.00 O +HETATM 1181 H1 HMW A 99 18.614 13.654 22.819 1.00 0.00 H +HETATM 1182 H2 HMW A 99 19.419 12.307 23.643 1.00 0.00 H +HETATM 1183 H3 HMW A 99 19.999 12.856 22.069 1.00 0.00 H +HETATM 1184 H4 HMW A 99 17.825 12.109 21.033 1.00 0.00 H +HETATM 1185 H5 HMW A 99 18.700 10.773 21.764 1.00 0.00 H +HETATM 1186 H6 HMW A 99 16.273 10.704 22.315 1.00 0.00 H +HETATM 1187 H7 HMW A 99 16.397 12.273 23.105 1.00 0.00 H +HETATM 1188 H8 HMW A 99 17.815 9.863 23.867 1.00 0.00 H +HETATM 1189 C1 HMW A 100 8.982 18.463 14.269 1.00 0.00 C +HETATM 1190 C2 HMW A 100 10.134 17.450 14.179 1.00 0.00 C +HETATM 1191 C3 HMW A 100 11.488 18.144 13.979 1.00 0.00 C +HETATM 1192 O1 HMW A 100 11.546 18.761 12.695 1.00 0.00 O +HETATM 1193 H1 HMW A 100 9.161 19.178 15.072 1.00 0.00 H +HETATM 1194 H2 HMW A 100 8.882 19.010 13.331 1.00 0.00 H +HETATM 1195 H3 HMW A 100 8.043 17.948 14.468 1.00 0.00 H +HETATM 1196 H4 HMW A 100 10.168 16.869 15.101 1.00 0.00 H +HETATM 1197 H5 HMW A 100 9.953 16.754 13.360 1.00 0.00 H +HETATM 1198 H6 HMW A 100 12.288 17.408 14.065 1.00 0.00 H +HETATM 1199 H7 HMW A 100 11.641 18.892 14.757 1.00 0.00 H +HETATM 1200 H8 HMW A 100 11.380 18.117 11.974 1.00 0.00 H +HETATM 1201 C1 HMW A 101 22.500 1.222 19.583 1.00 0.00 C +HETATM 1202 C2 HMW A 101 20.981 1.396 19.703 1.00 0.00 C +HETATM 1203 C3 HMW A 101 20.262 0.954 18.420 1.00 0.00 C +HETATM 1204 O1 HMW A 101 20.431 1.933 17.393 1.00 0.00 O +HETATM 1205 H1 HMW A 101 22.753 0.175 19.420 1.00 0.00 H +HETATM 1206 H2 HMW A 101 22.890 1.807 18.750 1.00 0.00 H +HETATM 1207 H3 HMW A 101 22.987 1.553 20.501 1.00 0.00 H +HETATM 1208 H4 HMW A 101 20.625 0.793 20.538 1.00 0.00 H +HETATM 1209 H5 HMW A 101 20.738 2.434 19.931 1.00 0.00 H +HETATM 1210 H6 HMW A 101 19.199 0.830 18.627 1.00 0.00 H +HETATM 1211 H7 HMW A 101 20.647 -0.010 18.089 1.00 0.00 H +HETATM 1212 H8 HMW A 101 19.894 2.734 17.574 1.00 0.00 H +HETATM 1213 C1 HMW A 102 14.708 1.338 15.179 1.00 0.00 C +HETATM 1214 C2 HMW A 102 15.725 0.461 15.926 1.00 0.00 C +HETATM 1215 C3 HMW A 102 16.569 1.292 16.903 1.00 0.00 C +HETATM 1216 O1 HMW A 102 17.379 2.220 16.185 1.00 0.00 O +HETATM 1217 H1 HMW A 102 14.038 1.828 15.885 1.00 0.00 H +HETATM 1218 H2 HMW A 102 15.219 2.106 14.598 1.00 0.00 H +HETATM 1219 H3 HMW A 102 14.111 0.731 14.498 1.00 0.00 H +HETATM 1220 H4 HMW A 102 15.192 -0.310 16.482 1.00 0.00 H +HETATM 1221 H5 HMW A 102 16.378 -0.042 15.214 1.00 0.00 H +HETATM 1222 H6 HMW A 102 17.204 0.627 17.489 1.00 0.00 H +HETATM 1223 H7 HMW A 102 15.920 1.824 17.598 1.00 0.00 H +HETATM 1224 H8 HMW A 102 18.012 1.764 15.591 1.00 0.00 H +HETATM 1225 C1 HMW A 103 12.198 5.429 28.155 1.00 0.00 C +HETATM 1226 C2 HMW A 103 12.449 4.816 26.766 1.00 0.00 C +HETATM 1227 C3 HMW A 103 13.518 5.584 25.978 1.00 0.00 C +HETATM 1228 O1 HMW A 103 13.095 6.925 25.743 1.00 0.00 O +HETATM 1229 H1 HMW A 103 13.122 5.476 28.730 1.00 0.00 H +HETATM 1230 H2 HMW A 103 11.795 6.438 28.062 1.00 0.00 H +HETATM 1231 H3 HMW A 103 11.479 4.822 28.705 1.00 0.00 H +HETATM 1232 H4 HMW A 103 12.774 3.782 26.886 1.00 0.00 H +HETATM 1233 H5 HMW A 103 11.518 4.795 26.199 1.00 0.00 H +HETATM 1234 H6 HMW A 103 13.697 5.084 25.026 1.00 0.00 H +HETATM 1235 H7 HMW A 103 14.459 5.585 26.530 1.00 0.00 H +HETATM 1236 H8 HMW A 103 12.272 6.957 25.210 1.00 0.00 H +HETATM 1237 C1 HMW A 104 24.872 6.233 13.897 1.00 0.00 C +HETATM 1238 C2 HMW A 104 24.559 7.734 14.007 1.00 0.00 C +HETATM 1239 C3 HMW A 104 23.738 8.058 15.264 1.00 0.00 C +HETATM 1240 O1 HMW A 104 22.478 7.388 15.218 1.00 0.00 O +HETATM 1241 H1 HMW A 104 25.404 5.886 14.783 1.00 0.00 H +HETATM 1242 H2 HMW A 104 23.953 5.655 13.797 1.00 0.00 H +HETATM 1243 H3 HMW A 104 25.496 6.043 13.024 1.00 0.00 H +HETATM 1244 H4 HMW A 104 25.498 8.286 14.045 1.00 0.00 H +HETATM 1245 H5 HMW A 104 24.021 8.065 13.119 1.00 0.00 H +HETATM 1246 H6 HMW A 104 23.577 9.134 15.330 1.00 0.00 H +HETATM 1247 H7 HMW A 104 24.291 7.755 16.153 1.00 0.00 H +HETATM 1248 H8 HMW A 104 21.932 7.702 14.466 1.00 0.00 H +HETATM 1249 C1 HMW A 105 9.696 4.460 23.454 1.00 0.00 C +HETATM 1250 C2 HMW A 105 9.848 5.707 22.568 1.00 0.00 C +HETATM 1251 C3 HMW A 105 11.072 6.536 22.974 1.00 0.00 C +HETATM 1252 O1 HMW A 105 10.887 7.122 24.260 1.00 0.00 O +HETATM 1253 H1 HMW A 105 10.601 3.853 23.414 1.00 0.00 H +HETATM 1254 H2 HMW A 105 9.514 4.738 24.492 1.00 0.00 H +HETATM 1255 H3 HMW A 105 8.862 3.849 23.107 1.00 0.00 H +HETATM 1256 H4 HMW A 105 9.964 5.391 21.532 1.00 0.00 H +HETATM 1257 H5 HMW A 105 8.948 6.320 22.621 1.00 0.00 H +HETATM 1258 H6 HMW A 105 11.238 7.324 22.239 1.00 0.00 H +HETATM 1259 H7 HMW A 105 11.956 5.899 22.987 1.00 0.00 H +HETATM 1260 H8 HMW A 105 10.123 7.737 24.269 1.00 0.00 H +HETATM 1261 C1 HMW A 106 1.639 19.628 23.255 1.00 0.00 C +HETATM 1262 C2 HMW A 106 2.894 18.832 23.650 1.00 0.00 C +HETATM 1263 C3 HMW A 106 2.887 18.443 25.138 1.00 0.00 C +HETATM 1264 O1 HMW A 106 2.820 19.606 25.959 1.00 0.00 O +HETATM 1265 H1 HMW A 106 0.738 19.057 23.480 1.00 0.00 H +HETATM 1266 H2 HMW A 106 1.596 20.574 23.796 1.00 0.00 H +HETATM 1267 H3 HMW A 106 1.652 19.845 22.187 1.00 0.00 H +HETATM 1268 H4 HMW A 106 2.943 17.923 23.050 1.00 0.00 H +HETATM 1269 H5 HMW A 106 3.787 19.416 23.427 1.00 0.00 H +HETATM 1270 H6 HMW A 106 3.790 17.879 25.371 1.00 0.00 H +HETATM 1271 H7 HMW A 106 2.034 17.798 25.349 1.00 0.00 H +HETATM 1272 H8 HMW A 106 3.486 20.277 25.698 1.00 0.00 H +HETATM 1273 C1 HMW A 107 3.512 25.468 8.547 1.00 0.00 C +HETATM 1274 C2 HMW A 107 2.640 24.469 9.320 1.00 0.00 C +HETATM 1275 C3 HMW A 107 2.695 24.705 10.838 1.00 0.00 C +HETATM 1276 O1 HMW A 107 4.013 24.499 11.350 1.00 0.00 O +HETATM 1277 H1 HMW A 107 3.219 26.492 8.779 1.00 0.00 H +HETATM 1278 H2 HMW A 107 4.563 25.337 8.806 1.00 0.00 H +HETATM 1279 H3 HMW A 107 3.402 25.312 7.474 1.00 0.00 H +HETATM 1280 H4 HMW A 107 1.606 24.567 8.986 1.00 0.00 H +HETATM 1281 H5 HMW A 107 2.955 23.451 9.091 1.00 0.00 H +HETATM 1282 H6 HMW A 107 2.008 24.019 11.333 1.00 0.00 H +HETATM 1283 H7 HMW A 107 2.365 25.718 11.069 1.00 0.00 H +HETATM 1284 H8 HMW A 107 4.017 24.538 12.330 1.00 0.00 H +HETATM 1285 C1 HMW A 108 23.301 4.562 10.721 1.00 0.00 C +HETATM 1286 C2 HMW A 108 21.962 4.939 11.377 1.00 0.00 C +HETATM 1287 C3 HMW A 108 21.603 3.996 12.534 1.00 0.00 C +HETATM 1288 O1 HMW A 108 21.506 2.653 12.065 1.00 0.00 O +HETATM 1289 H1 HMW A 108 24.102 4.562 11.461 1.00 0.00 H +HETATM 1290 H2 HMW A 108 23.245 3.569 10.273 1.00 0.00 H +HETATM 1291 H3 HMW A 108 23.552 5.277 9.938 1.00 0.00 H +HETATM 1292 H4 HMW A 108 22.027 5.958 11.760 1.00 0.00 H +HETATM 1293 H5 HMW A 108 21.168 4.922 10.630 1.00 0.00 H +HETATM 1294 H6 HMW A 108 20.655 4.304 12.977 1.00 0.00 H +HETATM 1295 H7 HMW A 108 22.358 4.057 13.318 1.00 0.00 H +HETATM 1296 H8 HMW A 108 20.851 2.562 11.341 1.00 0.00 H +HETATM 1297 C1 HMW A 109 12.214 26.559 19.710 1.00 0.00 C +HETATM 1298 C2 HMW A 109 12.081 25.472 18.630 1.00 0.00 C +HETATM 1299 C3 HMW A 109 11.593 24.140 19.217 1.00 0.00 C +HETATM 1300 O1 HMW A 109 12.587 23.591 20.083 1.00 0.00 O +HETATM 1301 H1 HMW A 109 11.252 26.734 20.193 1.00 0.00 H +HETATM 1302 H2 HMW A 109 12.937 26.265 20.470 1.00 0.00 H +HETATM 1303 H3 HMW A 109 12.548 27.495 19.262 1.00 0.00 H +HETATM 1304 H4 HMW A 109 11.370 25.810 17.876 1.00 0.00 H +HETATM 1305 H5 HMW A 109 13.038 25.326 18.129 1.00 0.00 H +HETATM 1306 H6 HMW A 109 11.385 23.438 18.409 1.00 0.00 H +HETATM 1307 H7 HMW A 109 10.663 24.294 19.764 1.00 0.00 H +HETATM 1308 H8 HMW A 109 13.422 23.399 19.603 1.00 0.00 H +HETATM 1309 C1 HMW A 110 28.916 10.513 10.879 1.00 0.00 C +HETATM 1310 C2 HMW A 110 28.084 9.271 10.515 1.00 0.00 C +HETATM 1311 C3 HMW A 110 27.304 8.725 11.719 1.00 0.00 C +HETATM 1312 O1 HMW A 110 28.203 8.298 12.742 1.00 0.00 O +HETATM 1313 H1 HMW A 110 28.275 11.306 11.265 1.00 0.00 H +HETATM 1314 H2 HMW A 110 29.669 10.270 11.629 1.00 0.00 H +HETATM 1315 H3 HMW A 110 29.432 10.889 9.995 1.00 0.00 H +HETATM 1316 H4 HMW A 110 27.377 9.530 9.727 1.00 0.00 H +HETATM 1317 H5 HMW A 110 28.737 8.495 10.115 1.00 0.00 H +HETATM 1318 H6 HMW A 110 26.687 7.885 11.402 1.00 0.00 H +HETATM 1319 H7 HMW A 110 26.635 9.494 12.107 1.00 0.00 H +HETATM 1320 H8 HMW A 110 28.779 9.030 13.050 1.00 0.00 H +HETATM 1321 C1 HMW A 111 26.514 14.654 21.524 1.00 0.00 C +HETATM 1322 C2 HMW A 111 25.271 14.176 20.753 1.00 0.00 C +HETATM 1323 C3 HMW A 111 25.277 12.656 20.534 1.00 0.00 C +HETATM 1324 O1 HMW A 111 26.429 12.276 19.789 1.00 0.00 O +HETATM 1325 H1 HMW A 111 26.588 14.146 22.486 1.00 0.00 H +HETATM 1326 H2 HMW A 111 27.422 14.453 20.955 1.00 0.00 H +HETATM 1327 H3 HMW A 111 26.454 15.728 21.704 1.00 0.00 H +HETATM 1328 H4 HMW A 111 24.376 14.452 21.312 1.00 0.00 H +HETATM 1329 H5 HMW A 111 25.218 14.683 19.790 1.00 0.00 H +HETATM 1330 H6 HMW A 111 24.376 12.361 19.995 1.00 0.00 H +HETATM 1331 H7 HMW A 111 25.272 12.141 21.495 1.00 0.00 H +HETATM 1332 H8 HMW A 111 26.503 12.782 18.952 1.00 0.00 H +HETATM 1333 C1 HMW A 112 16.720 7.491 5.428 1.00 0.00 C +HETATM 1334 C2 HMW A 112 17.078 7.979 6.840 1.00 0.00 C +HETATM 1335 C3 HMW A 112 18.544 8.433 6.961 1.00 0.00 C +HETATM 1336 O1 HMW A 112 19.464 7.385 6.626 1.00 0.00 O +HETATM 1337 H1 HMW A 112 16.893 8.282 4.698 1.00 0.00 H +HETATM 1338 H2 HMW A 112 17.316 6.619 5.158 1.00 0.00 H +HETATM 1339 H3 HMW A 112 15.667 7.213 5.378 1.00 0.00 H +HETATM 1340 H4 HMW A 112 16.428 8.815 7.099 1.00 0.00 H +HETATM 1341 H5 HMW A 112 16.877 7.189 7.563 1.00 0.00 H +HETATM 1342 H6 HMW A 112 18.725 8.757 7.986 1.00 0.00 H +HETATM 1343 H7 HMW A 112 18.712 9.292 6.311 1.00 0.00 H +HETATM 1344 H8 HMW A 112 20.394 7.641 6.809 1.00 0.00 H +HETATM 1345 C1 HMW A 113 16.353 20.668 24.059 1.00 0.00 C +HETATM 1346 C2 HMW A 113 15.719 21.974 23.558 1.00 0.00 C +HETATM 1347 C3 HMW A 113 14.649 21.728 22.484 1.00 0.00 C +HETATM 1348 O1 HMW A 113 15.220 21.097 21.340 1.00 0.00 O +HETATM 1349 H1 HMW A 113 15.591 20.005 24.469 1.00 0.00 H +HETATM 1350 H2 HMW A 113 16.868 20.152 23.248 1.00 0.00 H +HETATM 1351 H3 HMW A 113 17.084 20.883 24.839 1.00 0.00 H +HETATM 1352 H4 HMW A 113 15.262 22.495 24.399 1.00 0.00 H +HETATM 1353 H5 HMW A 113 16.495 22.629 23.160 1.00 0.00 H +HETATM 1354 H6 HMW A 113 14.207 22.679 22.190 1.00 0.00 H +HETATM 1355 H7 HMW A 113 13.850 21.107 22.889 1.00 0.00 H +HETATM 1356 H8 HMW A 113 16.014 21.577 21.019 1.00 0.00 H +HETATM 1357 C1 HMW A 114 24.759 4.459 18.496 1.00 0.00 C +HETATM 1358 C2 HMW A 114 23.709 5.577 18.544 1.00 0.00 C +HETATM 1359 C3 HMW A 114 22.398 5.160 17.858 1.00 0.00 C +HETATM 1360 O1 HMW A 114 22.586 4.999 16.452 1.00 0.00 O +HETATM 1361 H1 HMW A 114 24.372 3.558 18.972 1.00 0.00 H +HETATM 1362 H2 HMW A 114 25.026 4.226 17.465 1.00 0.00 H +HETATM 1363 H3 HMW A 114 25.660 4.764 19.028 1.00 0.00 H +HETATM 1364 H4 HMW A 114 23.503 5.820 19.587 1.00 0.00 H +HETATM 1365 H5 HMW A 114 24.109 6.475 18.073 1.00 0.00 H +HETATM 1366 H6 HMW A 114 21.637 5.922 18.029 1.00 0.00 H +HETATM 1367 H7 HMW A 114 22.034 4.230 18.295 1.00 0.00 H +HETATM 1368 H8 HMW A 114 22.667 5.865 15.997 1.00 0.00 H +HETATM 1369 C1 HMW A 115 1.823 27.788 16.904 1.00 0.00 C +HETATM 1370 C2 HMW A 115 0.874 26.602 17.146 1.00 0.00 C +HETATM 1371 C3 HMW A 115 1.360 25.326 16.442 1.00 0.00 C +HETATM 1372 O1 HMW A 115 1.342 25.500 15.025 1.00 0.00 O +HETATM 1373 H1 HMW A 115 2.824 27.557 17.271 1.00 0.00 H +HETATM 1374 H2 HMW A 115 1.885 28.023 15.842 1.00 0.00 H +HETATM 1375 H3 HMW A 115 1.461 28.671 17.430 1.00 0.00 H +HETATM 1376 H4 HMW A 115 0.805 26.413 18.217 1.00 0.00 H +HETATM 1377 H5 HMW A 115 -0.129 26.853 16.800 1.00 0.00 H +HETATM 1378 H6 HMW A 115 0.715 24.491 16.715 1.00 0.00 H +HETATM 1379 H7 HMW A 115 2.371 25.083 16.772 1.00 0.00 H +HETATM 1380 H8 HMW A 115 0.437 25.693 14.699 1.00 0.00 H +HETATM 1381 C1 HMW A 116 15.572 25.087 21.226 1.00 0.00 C +HETATM 1382 C2 HMW A 116 16.412 26.255 21.761 1.00 0.00 C +HETATM 1383 C3 HMW A 116 16.703 26.122 23.263 1.00 0.00 C +HETATM 1384 O1 HMW A 116 15.485 26.171 24.005 1.00 0.00 O +HETATM 1385 H1 HMW A 116 16.107 24.146 21.357 1.00 0.00 H +HETATM 1386 H2 HMW A 116 14.618 25.025 21.750 1.00 0.00 H +HETATM 1387 H3 HMW A 116 15.374 25.221 20.163 1.00 0.00 H +HETATM 1388 H4 HMW A 116 17.357 26.284 21.217 1.00 0.00 H +HETATM 1389 H5 HMW A 116 15.898 27.197 21.569 1.00 0.00 H +HETATM 1390 H6 HMW A 116 17.356 26.935 23.579 1.00 0.00 H +HETATM 1391 H7 HMW A 116 17.224 25.185 23.464 1.00 0.00 H +HETATM 1392 H8 HMW A 116 14.940 26.948 23.756 1.00 0.00 H +HETATM 1393 C1 HMW A 117 5.808 12.830 24.661 1.00 0.00 C +HETATM 1394 C2 HMW A 117 6.182 11.358 24.417 1.00 0.00 C +HETATM 1395 C3 HMW A 117 4.956 10.431 24.485 1.00 0.00 C +HETATM 1396 O1 HMW A 117 4.329 10.535 25.762 1.00 0.00 O +HETATM 1397 H1 HMW A 117 5.047 13.154 23.951 1.00 0.00 H +HETATM 1398 H2 HMW A 117 5.421 12.968 25.671 1.00 0.00 H +HETATM 1399 H3 HMW A 117 6.685 13.467 24.542 1.00 0.00 H +HETATM 1400 H4 HMW A 117 6.641 11.269 23.432 1.00 0.00 H +HETATM 1401 H5 HMW A 117 6.924 11.040 25.150 1.00 0.00 H +HETATM 1402 H6 HMW A 117 5.262 9.400 24.309 1.00 0.00 H +HETATM 1403 H7 HMW A 117 4.247 10.700 23.702 1.00 0.00 H +HETATM 1404 H8 HMW A 117 4.931 10.272 26.491 1.00 0.00 H +HETATM 1405 C1 HMW A 118 24.609 11.553 2.682 1.00 0.00 C +HETATM 1406 C2 HMW A 118 24.549 11.994 1.210 1.00 0.00 C +HETATM 1407 C3 HMW A 118 24.084 13.451 1.069 1.00 0.00 C +HETATM 1408 O1 HMW A 118 22.731 13.580 1.496 1.00 0.00 O +HETATM 1409 H1 HMW A 118 25.256 12.221 3.251 1.00 0.00 H +HETATM 1410 H2 HMW A 118 23.617 11.561 3.133 1.00 0.00 H +HETATM 1411 H3 HMW A 118 25.011 10.542 2.757 1.00 0.00 H +HETATM 1412 H4 HMW A 118 25.543 11.897 0.772 1.00 0.00 H +HETATM 1413 H5 HMW A 118 23.885 11.335 0.650 1.00 0.00 H +HETATM 1414 H6 HMW A 118 24.169 13.764 0.028 1.00 0.00 H +HETATM 1415 H7 HMW A 118 24.725 14.105 1.661 1.00 0.00 H +HETATM 1416 H8 HMW A 118 22.118 13.071 0.923 1.00 0.00 H +HETATM 1417 C1 HMW A 119 26.442 -0.191 20.308 1.00 0.00 C +HETATM 1418 C2 HMW A 119 26.128 0.887 19.258 1.00 0.00 C +HETATM 1419 C3 HMW A 119 27.395 1.606 18.772 1.00 0.00 C +HETATM 1420 O1 HMW A 119 28.006 2.320 19.846 1.00 0.00 O +HETATM 1421 H1 HMW A 119 27.125 -0.936 19.898 1.00 0.00 H +HETATM 1422 H2 HMW A 119 26.902 0.251 21.191 1.00 0.00 H +HETATM 1423 H3 HMW A 119 25.523 -0.694 20.611 1.00 0.00 H +HETATM 1424 H4 HMW A 119 25.633 0.420 18.406 1.00 0.00 H +HETATM 1425 H5 HMW A 119 25.432 1.613 19.677 1.00 0.00 H +HETATM 1426 H6 HMW A 119 27.139 2.301 17.972 1.00 0.00 H +HETATM 1427 H7 HMW A 119 28.098 0.880 18.362 1.00 0.00 H +HETATM 1428 H8 HMW A 119 27.427 3.033 20.191 1.00 0.00 H +HETATM 1429 C1 HMW A 120 21.983 14.137 28.241 1.00 0.00 C +HETATM 1430 C2 HMW A 120 21.263 15.331 28.889 1.00 0.00 C +HETATM 1431 C3 HMW A 120 21.521 16.633 28.116 1.00 0.00 C +HETATM 1432 O1 HMW A 120 22.908 16.975 28.178 1.00 0.00 O +HETATM 1433 H1 HMW A 120 21.647 14.008 27.212 1.00 0.00 H +HETATM 1434 H2 HMW A 120 23.062 14.290 28.236 1.00 0.00 H +HETATM 1435 H3 HMW A 120 21.766 13.221 28.791 1.00 0.00 H +HETATM 1436 H4 HMW A 120 20.191 15.137 28.906 1.00 0.00 H +HETATM 1437 H5 HMW A 120 21.588 15.445 29.924 1.00 0.00 H +HETATM 1438 H6 HMW A 120 20.927 17.438 28.548 1.00 0.00 H +HETATM 1439 H7 HMW A 120 21.210 16.516 27.077 1.00 0.00 H +HETATM 1440 H8 HMW A 120 23.216 17.068 29.105 1.00 0.00 H +HETATM 1441 C1 HMW A 121 21.705 3.539 4.515 1.00 0.00 C +HETATM 1442 C2 HMW A 121 21.174 4.457 5.631 1.00 0.00 C +HETATM 1443 C3 HMW A 121 21.480 3.886 7.023 1.00 0.00 C +HETATM 1444 O1 HMW A 121 20.671 2.733 7.274 1.00 0.00 O +HETATM 1445 H1 HMW A 121 22.788 3.435 4.591 1.00 0.00 H +HETATM 1446 H2 HMW A 121 21.259 2.547 4.579 1.00 0.00 H +HETATM 1447 H3 HMW A 121 21.469 3.961 3.538 1.00 0.00 H +HETATM 1448 H4 HMW A 121 21.644 5.436 5.535 1.00 0.00 H +HETATM 1449 H5 HMW A 121 20.100 4.603 5.517 1.00 0.00 H +HETATM 1450 H6 HMW A 121 21.279 4.645 7.780 1.00 0.00 H +HETATM 1451 H7 HMW A 121 22.537 3.632 7.095 1.00 0.00 H +HETATM 1452 H8 HMW A 121 19.719 2.969 7.318 1.00 0.00 H +HETATM 1453 C1 HMW A 122 19.545 13.125 11.419 1.00 0.00 C +HETATM 1454 C2 HMW A 122 19.829 13.068 12.928 1.00 0.00 C +HETATM 1455 C3 HMW A 122 20.447 11.727 13.347 1.00 0.00 C +HETATM 1456 O1 HMW A 122 19.616 10.632 12.945 1.00 0.00 O +HETATM 1457 H1 HMW A 122 20.456 12.937 10.850 1.00 0.00 H +HETATM 1458 H2 HMW A 122 18.804 12.376 11.139 1.00 0.00 H +HETATM 1459 H3 HMW A 122 19.164 14.108 11.146 1.00 0.00 H +HETATM 1460 H4 HMW A 122 20.513 13.873 13.197 1.00 0.00 H +HETATM 1461 H5 HMW A 122 18.907 13.233 13.484 1.00 0.00 H +HETATM 1462 H6 HMW A 122 20.578 11.720 14.429 1.00 0.00 H +HETATM 1463 H7 HMW A 122 21.435 11.620 12.899 1.00 0.00 H +HETATM 1464 H8 HMW A 122 18.688 10.750 13.239 1.00 0.00 H +HETATM 1465 C1 HMW A 123 15.406 9.869 18.843 1.00 0.00 C +HETATM 1466 C2 HMW A 123 14.616 9.206 17.700 1.00 0.00 C +HETATM 1467 C3 HMW A 123 15.354 9.260 16.354 1.00 0.00 C +HETATM 1468 O1 HMW A 123 15.595 10.617 15.974 1.00 0.00 O +HETATM 1469 H1 HMW A 123 16.344 9.343 19.019 1.00 0.00 H +HETATM 1470 H2 HMW A 123 15.628 10.911 18.609 1.00 0.00 H +HETATM 1471 H3 HMW A 123 14.823 9.845 19.764 1.00 0.00 H +HETATM 1472 H4 HMW A 123 14.424 8.165 17.960 1.00 0.00 H +HETATM 1473 H5 HMW A 123 13.649 9.697 17.596 1.00 0.00 H +HETATM 1474 H6 HMW A 123 14.752 8.764 15.592 1.00 0.00 H +HETATM 1475 H7 HMW A 123 16.295 8.714 16.418 1.00 0.00 H +HETATM 1476 H8 HMW A 123 14.781 11.161 16.037 1.00 0.00 H +HETATM 1477 C1 HMW A 124 17.959 -0.319 9.183 1.00 0.00 C +HETATM 1478 C2 HMW A 124 19.420 -0.538 9.608 1.00 0.00 C +HETATM 1479 C3 HMW A 124 19.933 0.569 10.536 1.00 0.00 C +HETATM 1480 O1 HMW A 124 19.922 1.846 9.884 1.00 0.00 O +HETATM 1481 H1 HMW A 124 17.310 -0.268 10.057 1.00 0.00 H +HETATM 1482 H2 HMW A 124 17.854 0.603 8.610 1.00 0.00 H +HETATM 1483 H3 HMW A 124 17.624 -1.145 8.555 1.00 0.00 H +HETATM 1484 H4 HMW A 124 19.500 -1.495 10.123 1.00 0.00 H +HETATM 1485 H5 HMW A 124 20.060 -0.600 8.727 1.00 0.00 H +HETATM 1486 H6 HMW A 124 20.949 0.326 10.846 1.00 0.00 H +HETATM 1487 H7 HMW A 124 19.320 0.609 11.437 1.00 0.00 H +HETATM 1488 H8 HMW A 124 20.438 1.833 9.049 1.00 0.00 H +HETATM 1489 C1 HMW A 125 21.619 15.221 20.742 1.00 0.00 C +HETATM 1490 C2 HMW A 125 20.385 15.421 19.845 1.00 0.00 C +HETATM 1491 C3 HMW A 125 19.740 16.788 20.088 1.00 0.00 C +HETATM 1492 O1 HMW A 125 19.163 16.845 21.396 1.00 0.00 O +HETATM 1493 H1 HMW A 125 22.340 16.023 20.582 1.00 0.00 H +HETATM 1494 H2 HMW A 125 21.333 15.211 21.794 1.00 0.00 H +HETATM 1495 H3 HMW A 125 22.111 14.277 20.508 1.00 0.00 H +HETATM 1496 H4 HMW A 125 20.690 15.353 18.801 1.00 0.00 H +HETATM 1497 H5 HMW A 125 19.653 14.633 20.023 1.00 0.00 H +HETATM 1498 H6 HMW A 125 18.962 16.959 19.344 1.00 0.00 H +HETATM 1499 H7 HMW A 125 20.485 17.574 19.969 1.00 0.00 H +HETATM 1500 H8 HMW A 125 18.309 16.363 21.426 1.00 0.00 H +HETATM 1501 C1 HMW A 126 14.655 4.984 17.422 1.00 0.00 C +HETATM 1502 C2 HMW A 126 13.144 5.252 17.331 1.00 0.00 C +HETATM 1503 C3 HMW A 126 12.358 4.375 18.313 1.00 0.00 C +HETATM 1504 O1 HMW A 126 12.558 2.999 17.999 1.00 0.00 O +HETATM 1505 H1 HMW A 126 14.990 5.049 18.457 1.00 0.00 H +HETATM 1506 H2 HMW A 126 14.896 3.991 17.042 1.00 0.00 H +HETATM 1507 H3 HMW A 126 15.207 5.721 16.839 1.00 0.00 H +HETATM 1508 H4 HMW A 126 12.952 6.300 17.564 1.00 0.00 H +HETATM 1509 H5 HMW A 126 12.789 5.081 16.315 1.00 0.00 H +HETATM 1510 H6 HMW A 126 11.296 4.611 18.250 1.00 0.00 H +HETATM 1511 H7 HMW A 126 12.680 4.581 19.334 1.00 0.00 H +HETATM 1512 H8 HMW A 126 12.187 2.780 17.117 1.00 0.00 H +HETATM 1513 C1 HMW A 127 11.431 8.035 19.446 1.00 0.00 C +HETATM 1514 C2 HMW A 127 9.923 8.070 19.157 1.00 0.00 C +HETATM 1515 C3 HMW A 127 9.479 6.989 18.164 1.00 0.00 C +HETATM 1516 O1 HMW A 127 10.269 7.030 16.976 1.00 0.00 O +HETATM 1517 H1 HMW A 127 11.729 7.051 19.810 1.00 0.00 H +HETATM 1518 H2 HMW A 127 11.997 8.260 18.541 1.00 0.00 H +HETATM 1519 H3 HMW A 127 11.690 8.777 20.201 1.00 0.00 H +HETATM 1520 H4 HMW A 127 9.383 7.923 20.093 1.00 0.00 H +HETATM 1521 H5 HMW A 127 9.644 9.049 18.767 1.00 0.00 H +HETATM 1522 H6 HMW A 127 8.429 7.137 17.911 1.00 0.00 H +HETATM 1523 H7 HMW A 127 9.565 6.007 18.631 1.00 0.00 H +HETATM 1524 H8 HMW A 127 10.243 7.913 16.549 1.00 0.00 H +HETATM 1525 C1 HMW A 128 3.370 5.618 26.221 1.00 0.00 C +HETATM 1526 C2 HMW A 128 3.577 7.138 26.341 1.00 0.00 C +HETATM 1527 C3 HMW A 128 2.273 7.882 26.673 1.00 0.00 C +HETATM 1528 O1 HMW A 128 1.295 7.653 25.661 1.00 0.00 O +HETATM 1529 H1 HMW A 128 2.962 5.214 27.148 1.00 0.00 H +HETATM 1530 H2 HMW A 128 2.684 5.387 25.406 1.00 0.00 H +HETATM 1531 H3 HMW A 128 4.320 5.125 26.016 1.00 0.00 H +HETATM 1532 H4 HMW A 128 4.308 7.341 27.123 1.00 0.00 H +HETATM 1533 H5 HMW A 128 3.990 7.524 25.409 1.00 0.00 H +HETATM 1534 H6 HMW A 128 2.473 8.951 26.750 1.00 0.00 H +HETATM 1535 H7 HMW A 128 1.890 7.552 27.639 1.00 0.00 H +HETATM 1536 H8 HMW A 128 1.680 7.743 24.763 1.00 0.00 H +TER 1537 HMW A 128 +HETATM 1538 O HOH B 1 10.256 9.390 15.653 1.00 0.00 O +HETATM 1539 H1 HOH B 1 11.085 9.529 15.195 1.00 0.00 H +HETATM 1540 H2 HOH B 1 9.813 10.237 15.611 1.00 0.00 H +HETATM 1541 O HOH B 2 6.356 5.125 22.911 1.00 0.00 O +HETATM 1542 H1 HOH B 2 6.956 5.199 23.653 1.00 0.00 H +HETATM 1543 H2 HOH B 2 5.803 4.373 23.123 1.00 0.00 H +HETATM 1544 O HOH B 3 21.632 19.939 6.685 1.00 0.00 O +HETATM 1545 H1 HOH B 3 20.912 20.319 6.181 1.00 0.00 H +HETATM 1546 H2 HOH B 3 21.315 19.073 6.943 1.00 0.00 H +HETATM 1547 O HOH B 4 7.399 19.797 23.026 1.00 0.00 O +HETATM 1548 H1 HOH B 4 6.866 20.591 22.987 1.00 0.00 H +HETATM 1549 H2 HOH B 4 8.127 20.025 23.604 1.00 0.00 H +HETATM 1550 O HOH B 5 12.158 7.101 13.756 1.00 0.00 O +HETATM 1551 H1 HOH B 5 12.403 7.993 14.002 1.00 0.00 H +HETATM 1552 H2 HOH B 5 12.972 6.601 13.824 1.00 0.00 H +HETATM 1553 O HOH B 6 6.054 10.016 27.767 1.00 0.00 O +HETATM 1554 H1 HOH B 6 6.817 9.542 27.435 1.00 0.00 H +HETATM 1555 H2 HOH B 6 6.416 10.814 28.152 1.00 0.00 H +HETATM 1556 O HOH B 7 6.866 5.432 15.828 1.00 0.00 O +HETATM 1557 H1 HOH B 7 6.419 4.586 15.840 1.00 0.00 H +HETATM 1558 H2 HOH B 7 7.797 5.211 15.837 1.00 0.00 H +HETATM 1559 O HOH B 8 12.615 9.891 14.356 1.00 0.00 O +HETATM 1560 H1 HOH B 8 13.292 9.824 13.684 1.00 0.00 H +HETATM 1561 H2 HOH B 8 12.846 10.678 14.851 1.00 0.00 H +HETATM 1562 O HOH B 9 6.743 7.006 13.525 1.00 0.00 O +HETATM 1563 H1 HOH B 9 7.669 7.221 13.414 1.00 0.00 H +HETATM 1564 H2 HOH B 9 6.721 6.431 14.290 1.00 0.00 H +HETATM 1565 O HOH B 10 6.660 6.605 -0.027 1.00 0.00 O +HETATM 1566 H1 HOH B 10 5.893 6.034 0.028 1.00 0.00 H +HETATM 1567 H2 HOH B 10 7.287 6.223 0.587 1.00 0.00 H +HETATM 1568 O HOH B 11 1.544 7.806 12.296 1.00 0.00 O +HETATM 1569 H1 HOH B 11 2.472 7.711 12.509 1.00 0.00 H +HETATM 1570 H2 HOH B 11 1.531 8.368 11.522 1.00 0.00 H +HETATM 1571 O HOH B 12 13.425 13.775 1.955 1.00 0.00 O +HETATM 1572 H1 HOH B 12 12.606 13.969 2.410 1.00 0.00 H +HETATM 1573 H2 HOH B 12 13.382 12.836 1.772 1.00 0.00 H +HETATM 1574 O HOH B 13 19.456 1.001 14.982 1.00 0.00 O +HETATM 1575 H1 HOH B 13 20.211 0.739 14.455 1.00 0.00 H +HETATM 1576 H2 HOH B 13 19.822 1.198 15.844 1.00 0.00 H +HETATM 1577 O HOH B 14 6.156 22.828 17.710 1.00 0.00 O +HETATM 1578 H1 HOH B 14 5.580 22.328 17.132 1.00 0.00 H +HETATM 1579 H2 HOH B 14 7.030 22.478 17.539 1.00 0.00 H +HETATM 1580 O HOH B 15 20.861 6.436 0.061 1.00 0.00 O +HETATM 1581 H1 HOH B 15 20.143 5.838 0.268 1.00 0.00 H +HETATM 1582 H2 HOH B 15 21.402 5.954 -0.564 1.00 0.00 H +HETATM 1583 O HOH B 16 23.474 17.408 25.525 1.00 0.00 O +HETATM 1584 H1 HOH B 16 23.301 17.254 26.454 1.00 0.00 H +HETATM 1585 H2 HOH B 16 23.588 18.356 25.456 1.00 0.00 H +HETATM 1586 O HOH B 17 31.273 6.544 0.990 1.00 0.00 O +HETATM 1587 H1 HOH B 17 32.114 6.994 1.070 1.00 0.00 H +HETATM 1588 H2 HOH B 17 30.757 7.102 0.408 1.00 0.00 H +HETATM 1589 O HOH B 18 7.369 14.935 5.811 1.00 0.00 O +HETATM 1590 H1 HOH B 18 7.279 14.044 6.149 1.00 0.00 H +HETATM 1591 H2 HOH B 18 6.938 14.912 4.956 1.00 0.00 H +HETATM 1592 O HOH B 19 24.066 24.359 8.169 1.00 0.00 O +HETATM 1593 H1 HOH B 19 23.565 23.645 7.775 1.00 0.00 H +HETATM 1594 H2 HOH B 19 24.727 24.578 7.512 1.00 0.00 H +HETATM 1595 O HOH B 20 25.920 27.694 18.123 1.00 0.00 O +HETATM 1596 H1 HOH B 20 25.927 28.464 17.554 1.00 0.00 H +HETATM 1597 H2 HOH B 20 26.076 26.957 17.532 1.00 0.00 H +HETATM 1598 O HOH B 21 24.275 16.536 17.797 1.00 0.00 O +HETATM 1599 H1 HOH B 21 24.527 16.538 18.720 1.00 0.00 H +HETATM 1600 H2 HOH B 21 23.584 17.196 17.735 1.00 0.00 H +HETATM 1601 O HOH B 22 26.760 25.593 16.646 1.00 0.00 O +HETATM 1602 H1 HOH B 22 27.117 25.177 15.861 1.00 0.00 H +HETATM 1603 H2 HOH B 22 27.435 25.467 17.312 1.00 0.00 H +HETATM 1604 O HOH B 23 16.231 13.390 12.632 1.00 0.00 O +HETATM 1605 H1 HOH B 23 16.125 13.191 11.701 1.00 0.00 H +HETATM 1606 H2 HOH B 23 16.735 14.204 12.647 1.00 0.00 H +HETATM 1607 O HOH B 24 0.178 6.584 8.992 1.00 0.00 O +HETATM 1608 H1 HOH B 24 0.099 6.481 9.940 1.00 0.00 H +HETATM 1609 H2 HOH B 24 -0.690 6.365 8.654 1.00 0.00 H +HETATM 1610 O HOH B 25 10.996 14.056 9.815 1.00 0.00 O +HETATM 1611 H1 HOH B 25 11.382 14.193 10.680 1.00 0.00 H +HETATM 1612 H2 HOH B 25 11.074 13.114 9.664 1.00 0.00 H +HETATM 1613 O HOH B 26 16.880 1.512 20.268 1.00 0.00 O +HETATM 1614 H1 HOH B 26 17.162 2.340 20.656 1.00 0.00 H +HETATM 1615 H2 HOH B 26 15.949 1.636 20.087 1.00 0.00 H +HETATM 1616 O HOH B 27 21.516 29.850 22.832 1.00 0.00 O +HETATM 1617 H1 HOH B 27 21.444 29.422 21.979 1.00 0.00 H +HETATM 1618 H2 HOH B 27 21.661 29.133 23.449 1.00 0.00 H +HETATM 1619 O HOH B 28 21.487 6.527 26.281 1.00 0.00 O +HETATM 1620 H1 HOH B 28 21.621 5.774 25.706 1.00 0.00 H +HETATM 1621 H2 HOH B 28 20.594 6.817 26.092 1.00 0.00 H +HETATM 1622 O HOH B 29 10.985 19.876 22.390 1.00 0.00 O +HETATM 1623 H1 HOH B 29 10.507 19.925 23.218 1.00 0.00 H +HETATM 1624 H2 HOH B 29 11.254 20.777 22.215 1.00 0.00 H +HETATM 1625 O HOH B 30 6.481 23.971 10.204 1.00 0.00 O +HETATM 1626 H1 HOH B 30 6.213 23.308 9.568 1.00 0.00 H +HETATM 1627 H2 HOH B 30 5.665 24.244 10.624 1.00 0.00 H +HETATM 1628 O HOH B 31 14.203 2.383 20.102 1.00 0.00 O +HETATM 1629 H1 HOH B 31 13.591 1.803 20.554 1.00 0.00 H +HETATM 1630 H2 HOH B 31 13.748 2.633 19.298 1.00 0.00 H +HETATM 1631 O HOH B 32 15.805 1.285 11.911 1.00 0.00 O +HETATM 1632 H1 HOH B 32 16.651 1.578 12.248 1.00 0.00 H +HETATM 1633 H2 HOH B 32 15.241 2.057 11.976 1.00 0.00 H +HETATM 1634 O HOH B 33 20.492 8.175 28.444 1.00 0.00 O +HETATM 1635 H1 HOH B 33 20.553 7.739 29.293 1.00 0.00 H +HETATM 1636 H2 HOH B 33 21.221 7.817 27.937 1.00 0.00 H +HETATM 1637 O HOH B 34 12.186 1.186 27.786 1.00 0.00 O +HETATM 1638 H1 HOH B 34 12.565 0.319 27.936 1.00 0.00 H +HETATM 1639 H2 HOH B 34 12.367 1.669 28.592 1.00 0.00 H +HETATM 1640 O HOH B 35 16.163 10.981 0.981 1.00 0.00 O +HETATM 1641 H1 HOH B 35 16.738 10.326 1.377 1.00 0.00 H +HETATM 1642 H2 HOH B 35 16.100 10.719 0.062 1.00 0.00 H +HETATM 1643 O HOH B 36 17.927 19.318 20.794 1.00 0.00 O +HETATM 1644 H1 HOH B 36 17.048 18.960 20.920 1.00 0.00 H +HETATM 1645 H2 HOH B 36 18.515 18.612 21.063 1.00 0.00 H +HETATM 1646 O HOH B 37 15.117 3.358 29.118 1.00 0.00 O +HETATM 1647 H1 HOH B 37 14.309 2.963 29.447 1.00 0.00 H +HETATM 1648 H2 HOH B 37 14.834 4.178 28.712 1.00 0.00 H +HETATM 1649 O HOH B 38 8.196 22.984 20.108 1.00 0.00 O +HETATM 1650 H1 HOH B 38 8.126 23.839 19.683 1.00 0.00 H +HETATM 1651 H2 HOH B 38 7.340 22.846 20.512 1.00 0.00 H +HETATM 1652 O HOH B 39 8.756 21.818 17.668 1.00 0.00 O +HETATM 1653 H1 HOH B 39 9.020 20.898 17.688 1.00 0.00 H +HETATM 1654 H2 HOH B 39 8.752 22.087 18.586 1.00 0.00 H +HETATM 1655 O HOH B 40 21.658 4.093 25.085 1.00 0.00 O +HETATM 1656 H1 HOH B 40 21.931 3.659 25.893 1.00 0.00 H +HETATM 1657 H2 HOH B 40 21.412 3.377 24.499 1.00 0.00 H +HETATM 1658 O HOH B 41 9.444 4.610 15.919 1.00 0.00 O +HETATM 1659 H1 HOH B 41 10.154 3.971 15.856 1.00 0.00 H +HETATM 1660 H2 HOH B 41 9.874 5.418 16.199 1.00 0.00 H +HETATM 1661 O HOH B 42 11.333 2.501 15.620 1.00 0.00 O +HETATM 1662 H1 HOH B 42 11.615 2.534 14.705 1.00 0.00 H +HETATM 1663 H2 HOH B 42 10.829 1.690 15.687 1.00 0.00 H +HETATM 1664 O HOH B 43 -0.576 10.973 18.611 1.00 0.00 O +HETATM 1665 H1 HOH B 43 -1.127 10.194 18.532 1.00 0.00 H +HETATM 1666 H2 HOH B 43 0.305 10.666 18.396 1.00 0.00 H +HETATM 1667 O HOH B 44 17.823 26.990 5.957 1.00 0.00 O +HETATM 1668 H1 HOH B 44 17.449 26.890 6.832 1.00 0.00 H +HETATM 1669 H2 HOH B 44 17.384 26.321 5.431 1.00 0.00 H +HETATM 1670 O HOH B 45 6.597 9.979 16.582 1.00 0.00 O +HETATM 1671 H1 HOH B 45 5.826 10.529 16.719 1.00 0.00 H +HETATM 1672 H2 HOH B 45 6.254 9.085 16.560 1.00 0.00 H +HETATM 1673 O HOH B 46 5.661 17.197 13.224 1.00 0.00 O +HETATM 1674 H1 HOH B 46 5.338 17.441 14.091 1.00 0.00 H +HETATM 1675 H2 HOH B 46 4.898 17.280 12.651 1.00 0.00 H +HETATM 1676 O HOH B 47 12.664 17.736 22.165 1.00 0.00 O +HETATM 1677 H1 HOH B 47 12.083 18.493 22.086 1.00 0.00 H +HETATM 1678 H2 HOH B 47 12.659 17.526 23.098 1.00 0.00 H +HETATM 1679 O HOH B 48 4.868 8.533 29.759 1.00 0.00 O +HETATM 1680 H1 HOH B 48 5.599 7.940 29.932 1.00 0.00 H +HETATM 1681 H2 HOH B 48 5.155 9.058 29.012 1.00 0.00 H +HETATM 1682 O HOH B 49 5.857 22.215 22.896 1.00 0.00 O +HETATM 1683 H1 HOH B 49 5.689 23.118 23.168 1.00 0.00 H +HETATM 1684 H2 HOH B 49 5.635 22.200 21.965 1.00 0.00 H +HETATM 1685 O HOH B 50 8.075 23.584 5.944 1.00 0.00 O +HETATM 1686 H1 HOH B 50 8.957 23.223 5.858 1.00 0.00 H +HETATM 1687 H2 HOH B 50 8.130 24.176 6.694 1.00 0.00 H +HETATM 1688 O HOH B 51 9.415 7.504 13.759 1.00 0.00 O +HETATM 1689 H1 HOH B 51 10.289 7.153 13.585 1.00 0.00 H +HETATM 1690 H2 HOH B 51 9.545 8.132 14.469 1.00 0.00 H +HETATM 1691 O HOH B 52 7.239 17.294 24.279 1.00 0.00 O +HETATM 1692 H1 HOH B 52 6.374 16.895 24.189 1.00 0.00 H +HETATM 1693 H2 HOH B 52 7.198 18.080 23.734 1.00 0.00 H +HETATM 1694 O HOH B 53 24.572 25.705 10.517 1.00 0.00 O +HETATM 1695 H1 HOH B 53 24.213 26.579 10.366 1.00 0.00 H +HETATM 1696 H2 HOH B 53 24.319 25.204 9.741 1.00 0.00 H +HETATM 1697 O HOH B 54 26.495 14.303 11.250 1.00 0.00 O +HETATM 1698 H1 HOH B 54 25.586 14.568 11.111 1.00 0.00 H +HETATM 1699 H2 HOH B 54 26.542 14.084 12.180 1.00 0.00 H +HETATM 1700 O HOH B 55 4.308 5.251 30.835 1.00 0.00 O +HETATM 1701 H1 HOH B 55 3.839 5.982 31.239 1.00 0.00 H +HETATM 1702 H2 HOH B 55 3.621 4.705 30.454 1.00 0.00 H +HETATM 1703 O HOH B 56 17.768 8.961 1.837 1.00 0.00 O +HETATM 1704 H1 HOH B 56 18.269 8.632 2.583 1.00 0.00 H +HETATM 1705 H2 HOH B 56 18.041 8.410 1.103 1.00 0.00 H +HETATM 1706 O HOH B 57 26.655 13.684 17.532 1.00 0.00 O +HETATM 1707 H1 HOH B 57 25.960 14.023 16.967 1.00 0.00 H +HETATM 1708 H2 HOH B 57 27.438 13.695 16.982 1.00 0.00 H +HETATM 1709 O HOH B 58 4.630 21.238 16.161 1.00 0.00 O +HETATM 1710 H1 HOH B 58 4.563 20.302 16.350 1.00 0.00 H +HETATM 1711 H2 HOH B 58 4.140 21.354 15.347 1.00 0.00 H +HETATM 1712 O HOH B 59 18.404 15.675 6.456 1.00 0.00 O +HETATM 1713 H1 HOH B 59 18.226 15.574 5.521 1.00 0.00 H +HETATM 1714 H2 HOH B 59 18.413 14.780 6.796 1.00 0.00 H +HETATM 1715 O HOH B 60 9.570 11.187 23.002 1.00 0.00 O +HETATM 1716 H1 HOH B 60 8.996 11.952 22.967 1.00 0.00 H +HETATM 1717 H2 HOH B 60 10.383 11.477 22.589 1.00 0.00 H +HETATM 1718 O HOH B 61 23.347 27.484 19.109 1.00 0.00 O +HETATM 1719 H1 HOH B 61 23.006 27.303 18.233 1.00 0.00 H +HETATM 1720 H2 HOH B 61 24.291 27.579 18.984 1.00 0.00 H +HETATM 1721 O HOH B 62 11.976 14.175 12.360 1.00 0.00 O +HETATM 1722 H1 HOH B 62 12.683 14.159 13.005 1.00 0.00 H +HETATM 1723 H2 HOH B 62 11.175 14.119 12.882 1.00 0.00 H +HETATM 1724 O HOH B 63 3.817 17.814 11.320 1.00 0.00 O +HETATM 1725 H1 HOH B 63 4.565 18.194 10.858 1.00 0.00 H +HETATM 1726 H2 HOH B 63 3.098 17.858 10.690 1.00 0.00 H +HETATM 1727 O HOH B 64 16.013 9.935 29.021 1.00 0.00 O +HETATM 1728 H1 HOH B 64 15.343 9.352 28.665 1.00 0.00 H +HETATM 1729 H2 HOH B 64 16.542 10.184 28.263 1.00 0.00 H +HETATM 1730 O HOH B 65 17.003 10.937 13.650 1.00 0.00 O +HETATM 1731 H1 HOH B 65 16.660 10.822 14.536 1.00 0.00 H +HETATM 1732 H2 HOH B 65 16.760 11.832 13.413 1.00 0.00 H +HETATM 1733 O HOH B 66 9.028 21.796 8.386 1.00 0.00 O +HETATM 1734 H1 HOH B 66 8.114 21.982 8.169 1.00 0.00 H +HETATM 1735 H2 HOH B 66 9.122 22.082 9.294 1.00 0.00 H +HETATM 1736 O HOH B 67 20.854 12.119 19.644 1.00 0.00 O +HETATM 1737 H1 HOH B 67 21.148 11.434 20.244 1.00 0.00 H +HETATM 1738 H2 HOH B 67 20.768 12.899 20.192 1.00 0.00 H +HETATM 1739 O HOH B 68 23.522 20.182 25.783 1.00 0.00 O +HETATM 1740 H1 HOH B 68 22.665 20.104 26.204 1.00 0.00 H +HETATM 1741 H2 HOH B 68 24.040 20.710 26.391 1.00 0.00 H +HETATM 1742 O HOH B 69 3.101 14.989 25.178 1.00 0.00 O +HETATM 1743 H1 HOH B 69 2.483 15.381 25.795 1.00 0.00 H +HETATM 1744 H2 HOH B 69 2.941 14.047 25.243 1.00 0.00 H +HETATM 1745 O HOH B 70 4.648 7.156 22.206 1.00 0.00 O +HETATM 1746 H1 HOH B 70 4.776 7.372 21.282 1.00 0.00 H +HETATM 1747 H2 HOH B 70 5.267 6.446 22.374 1.00 0.00 H +HETATM 1748 O HOH B 71 5.442 22.996 5.667 1.00 0.00 O +HETATM 1749 H1 HOH B 71 5.164 23.696 5.076 1.00 0.00 H +HETATM 1750 H2 HOH B 71 6.395 23.083 5.711 1.00 0.00 H +HETATM 1751 O HOH B 72 10.316 11.619 19.327 1.00 0.00 O +HETATM 1752 H1 HOH B 72 9.570 11.867 18.781 1.00 0.00 H +HETATM 1753 H2 HOH B 72 10.478 10.702 19.110 1.00 0.00 H +HETATM 1754 O HOH B 73 19.776 21.326 5.187 1.00 0.00 O +HETATM 1755 H1 HOH B 73 19.190 22.013 5.505 1.00 0.00 H +HETATM 1756 H2 HOH B 73 20.478 21.798 4.739 1.00 0.00 H +HETATM 1757 O HOH B 74 2.554 23.581 24.783 1.00 0.00 O +HETATM 1758 H1 HOH B 74 3.328 24.017 24.428 1.00 0.00 H +HETATM 1759 H2 HOH B 74 2.871 22.724 25.070 1.00 0.00 H +HETATM 1760 O HOH B 75 13.626 25.117 11.933 1.00 0.00 O +HETATM 1761 H1 HOH B 75 13.926 24.291 11.553 1.00 0.00 H +HETATM 1762 H2 HOH B 75 12.677 25.015 12.009 1.00 0.00 H +HETATM 1763 O HOH B 76 11.613 12.423 21.567 1.00 0.00 O +HETATM 1764 H1 HOH B 76 11.812 13.356 21.488 1.00 0.00 H +HETATM 1765 H2 HOH B 76 11.213 12.191 20.729 1.00 0.00 H +HETATM 1766 O HOH B 77 16.891 26.576 8.540 1.00 0.00 O +HETATM 1767 H1 HOH B 77 17.694 26.477 9.052 1.00 0.00 H +HETATM 1768 H2 HOH B 77 16.212 26.751 9.191 1.00 0.00 H +HETATM 1769 O HOH B 78 26.718 24.935 23.866 1.00 0.00 O +HETATM 1770 H1 HOH B 78 26.570 24.063 24.231 1.00 0.00 H +HETATM 1771 H2 HOH B 78 27.576 25.194 24.202 1.00 0.00 H +HETATM 1772 O HOH B 79 12.038 -0.105 11.751 1.00 0.00 O +HETATM 1773 H1 HOH B 79 11.601 -0.610 11.065 1.00 0.00 H +HETATM 1774 H2 HOH B 79 12.907 -0.499 11.822 1.00 0.00 H +HETATM 1775 O HOH B 80 10.571 22.222 6.155 1.00 0.00 O +HETATM 1776 H1 HOH B 80 10.187 22.227 7.033 1.00 0.00 H +HETATM 1777 H2 HOH B 80 10.569 21.300 5.898 1.00 0.00 H +HETATM 1778 O HOH B 81 15.226 18.406 21.303 1.00 0.00 O +HETATM 1779 H1 HOH B 81 15.175 19.362 21.309 1.00 0.00 H +HETATM 1780 H2 HOH B 81 14.341 18.117 21.525 1.00 0.00 H +HETATM 1781 O HOH B 82 14.607 29.410 12.038 1.00 0.00 O +HETATM 1782 H1 HOH B 82 15.040 30.239 11.837 1.00 0.00 H +HETATM 1783 H2 HOH B 82 14.874 29.211 12.935 1.00 0.00 H +HETATM 1784 O HOH B 83 9.484 17.667 25.745 1.00 0.00 O +HETATM 1785 H1 HOH B 83 8.698 17.438 25.249 1.00 0.00 H +HETATM 1786 H2 HOH B 83 9.633 16.915 26.318 1.00 0.00 H +HETATM 1787 O HOH B 84 8.852 8.862 24.172 1.00 0.00 O +HETATM 1788 H1 HOH B 84 9.185 9.687 23.819 1.00 0.00 H +HETATM 1789 H2 HOH B 84 8.056 8.690 23.670 1.00 0.00 H +HETATM 1790 O HOH B 85 11.186 23.689 11.890 1.00 0.00 O +HETATM 1791 H1 HOH B 85 10.304 23.419 11.634 1.00 0.00 H +HETATM 1792 H2 HOH B 85 11.766 23.190 11.315 1.00 0.00 H +HETATM 1793 O HOH B 86 11.248 24.286 14.590 1.00 0.00 O +HETATM 1794 H1 HOH B 86 11.116 24.023 13.679 1.00 0.00 H +HETATM 1795 H2 HOH B 86 12.130 24.658 14.606 1.00 0.00 H +HETATM 1796 O HOH B 87 27.679 24.234 14.479 1.00 0.00 O +HETATM 1797 H1 HOH B 87 27.307 24.438 13.621 1.00 0.00 H +HETATM 1798 H2 HOH B 87 27.360 23.354 14.676 1.00 0.00 H +HETATM 1799 O HOH B 88 4.278 7.523 12.444 1.00 0.00 O +HETATM 1800 H1 HOH B 88 5.160 7.402 12.795 1.00 0.00 H +HETATM 1801 H2 HOH B 88 4.278 7.033 11.622 1.00 0.00 H +HETATM 1802 O HOH B 89 21.802 22.801 4.093 1.00 0.00 O +HETATM 1803 H1 HOH B 89 22.400 22.521 3.400 1.00 0.00 H +HETATM 1804 H2 HOH B 89 21.565 23.698 3.857 1.00 0.00 H +HETATM 1805 O HOH B 90 15.253 27.023 10.702 1.00 0.00 O +HETATM 1806 H1 HOH B 90 14.710 26.392 11.175 1.00 0.00 H +HETATM 1807 H2 HOH B 90 15.023 27.870 11.083 1.00 0.00 H +HETATM 1808 O HOH B 91 21.958 27.269 23.770 1.00 0.00 O +HETATM 1809 H1 HOH B 91 22.859 26.949 23.815 1.00 0.00 H +HETATM 1810 H2 HOH B 91 21.720 27.189 22.847 1.00 0.00 H +HETATM 1811 O HOH B 92 19.361 7.931 3.789 1.00 0.00 O +HETATM 1812 H1 HOH B 92 20.218 7.772 3.394 1.00 0.00 H +HETATM 1813 H2 HOH B 92 19.439 7.586 4.678 1.00 0.00 H +HETATM 1814 O HOH B 93 9.978 19.532 6.707 1.00 0.00 O +HETATM 1815 H1 HOH B 93 9.563 20.054 7.393 1.00 0.00 H +HETATM 1816 H2 HOH B 93 9.459 18.729 6.668 1.00 0.00 H +HETATM 1817 O HOH B 94 18.497 8.295 23.795 1.00 0.00 O +HETATM 1818 H1 HOH B 94 18.509 7.417 23.412 1.00 0.00 H +HETATM 1819 H2 HOH B 94 18.613 8.149 24.734 1.00 0.00 H +HETATM 1820 O HOH B 95 28.653 9.240 22.502 1.00 0.00 O +HETATM 1821 H1 HOH B 95 28.981 9.261 23.401 1.00 0.00 H +HETATM 1822 H2 HOH B 95 28.808 10.124 22.169 1.00 0.00 H +HETATM 1823 O HOH B 96 5.443 12.375 17.706 1.00 0.00 O +HETATM 1824 H1 HOH B 96 6.399 12.329 17.739 1.00 0.00 H +HETATM 1825 H2 HOH B 96 5.193 12.765 18.543 1.00 0.00 H +HETATM 1826 O HOH B 97 23.601 28.257 10.080 1.00 0.00 O +HETATM 1827 H1 HOH B 97 23.762 28.834 10.827 1.00 0.00 H +HETATM 1828 H2 HOH B 97 23.310 28.843 9.382 1.00 0.00 H +HETATM 1829 O HOH B 98 20.089 16.612 24.109 1.00 0.00 O +HETATM 1830 H1 HOH B 98 20.848 16.030 24.144 1.00 0.00 H +HETATM 1831 H2 HOH B 98 19.876 16.672 23.177 1.00 0.00 H +HETATM 1832 O HOH B 99 22.022 0.703 13.910 1.00 0.00 O +HETATM 1833 H1 HOH B 99 22.457 1.186 14.613 1.00 0.00 H +HETATM 1834 H2 HOH B 99 21.940 1.337 13.198 1.00 0.00 H +HETATM 1835 O HOH B 100 8.782 17.063 6.787 1.00 0.00 O +HETATM 1836 H1 HOH B 100 8.239 16.345 6.462 1.00 0.00 H +HETATM 1837 H2 HOH B 100 9.673 16.712 6.780 1.00 0.00 H +HETATM 1838 O HOH B 101 4.746 16.980 2.170 1.00 0.00 O +HETATM 1839 H1 HOH B 101 4.221 17.147 1.388 1.00 0.00 H +HETATM 1840 H2 HOH B 101 4.396 17.582 2.827 1.00 0.00 H +HETATM 1841 O HOH B 102 22.184 5.219 28.588 1.00 0.00 O +HETATM 1842 H1 HOH B 102 22.047 5.717 27.782 1.00 0.00 H +HETATM 1843 H2 HOH B 102 22.336 4.321 28.293 1.00 0.00 H +HETATM 1844 O HOH B 103 8.918 19.085 20.734 1.00 0.00 O +HETATM 1845 H1 HOH B 103 9.726 19.325 21.189 1.00 0.00 H +HETATM 1846 H2 HOH B 103 8.227 19.226 21.381 1.00 0.00 H +HETATM 1847 O HOH B 104 28.783 11.586 21.049 1.00 0.00 O +HETATM 1848 H1 HOH B 104 27.922 11.869 20.741 1.00 0.00 H +HETATM 1849 H2 HOH B 104 29.302 11.485 20.251 1.00 0.00 H +HETATM 1850 O HOH B 105 1.441 9.005 9.834 1.00 0.00 O +HETATM 1851 H1 HOH B 105 2.203 9.171 9.281 1.00 0.00 H +HETATM 1852 H2 HOH B 105 0.949 8.328 9.369 1.00 0.00 H +HETATM 1853 O HOH B 106 18.042 14.711 3.900 1.00 0.00 O +HETATM 1854 H1 HOH B 106 18.619 13.949 3.962 1.00 0.00 H +HETATM 1855 H2 HOH B 106 17.324 14.423 3.336 1.00 0.00 H +HETATM 1856 O HOH B 107 9.584 20.156 24.732 1.00 0.00 O +HETATM 1857 H1 HOH B 107 9.596 19.285 25.129 1.00 0.00 H +HETATM 1858 H2 HOH B 107 9.810 20.749 25.448 1.00 0.00 H +HETATM 1859 O HOH B 108 3.429 21.184 4.969 1.00 0.00 O +HETATM 1860 H1 HOH B 108 2.723 21.829 5.014 1.00 0.00 H +HETATM 1861 H2 HOH B 108 4.216 21.674 5.208 1.00 0.00 H +HETATM 1862 O HOH B 109 12.832 2.329 -0.296 1.00 0.00 O +HETATM 1863 H1 HOH B 109 12.159 2.897 0.079 1.00 0.00 H +HETATM 1864 H2 HOH B 109 13.135 1.798 0.440 1.00 0.00 H +HETATM 1865 O HOH B 110 9.342 24.325 16.568 1.00 0.00 O +HETATM 1866 H1 HOH B 110 9.245 23.394 16.768 1.00 0.00 H +HETATM 1867 H2 HOH B 110 9.981 24.353 15.856 1.00 0.00 H +HETATM 1868 O HOH B 111 2.560 6.209 7.772 1.00 0.00 O +HETATM 1869 H1 HOH B 111 1.716 6.326 8.207 1.00 0.00 H +HETATM 1870 H2 HOH B 111 2.372 5.625 7.037 1.00 0.00 H +HETATM 1871 O HOH B 112 14.525 5.654 14.154 1.00 0.00 O +HETATM 1872 H1 HOH B 112 14.368 5.148 14.951 1.00 0.00 H +HETATM 1873 H2 HOH B 112 15.421 5.975 14.245 1.00 0.00 H +HETATM 1874 O HOH B 113 17.600 2.663 29.946 1.00 0.00 O +HETATM 1875 H1 HOH B 113 16.740 2.971 29.660 1.00 0.00 H +HETATM 1876 H2 HOH B 113 17.668 1.776 29.593 1.00 0.00 H +HETATM 1877 O HOH B 114 9.225 19.099 18.061 1.00 0.00 O +HETATM 1878 H1 HOH B 114 9.158 19.123 19.016 1.00 0.00 H +HETATM 1879 H2 HOH B 114 8.612 18.414 17.795 1.00 0.00 H +HETATM 1880 O HOH B 115 9.591 14.004 13.662 1.00 0.00 O +HETATM 1881 H1 HOH B 115 9.083 13.261 13.338 1.00 0.00 H +HETATM 1882 H2 HOH B 115 8.992 14.748 13.604 1.00 0.00 H +HETATM 1883 O HOH B 116 14.276 3.497 12.367 1.00 0.00 O +HETATM 1884 H1 HOH B 116 14.336 4.318 12.855 1.00 0.00 H +HETATM 1885 H2 HOH B 116 13.369 3.215 12.484 1.00 0.00 H +HETATM 1886 O HOH B 117 29.853 6.396 11.645 1.00 0.00 O +HETATM 1887 H1 HOH B 117 29.196 6.938 12.082 1.00 0.00 H +HETATM 1888 H2 HOH B 117 30.689 6.711 11.987 1.00 0.00 H +HETATM 1889 O HOH B 118 14.044 8.491 27.766 1.00 0.00 O +HETATM 1890 H1 HOH B 118 13.311 9.105 27.812 1.00 0.00 H +HETATM 1891 H2 HOH B 118 13.827 7.913 27.034 1.00 0.00 H +HETATM 1892 O HOH B 119 -2.496 25.996 19.090 1.00 0.00 O +HETATM 1893 H1 HOH B 119 -3.057 26.764 18.988 1.00 0.00 H +HETATM 1894 H2 HOH B 119 -2.877 25.515 19.825 1.00 0.00 H +HETATM 1895 O HOH B 120 16.159 13.470 2.342 1.00 0.00 O +HETATM 1896 H1 HOH B 120 16.229 12.661 1.834 1.00 0.00 H +HETATM 1897 H2 HOH B 120 15.251 13.749 2.222 1.00 0.00 H +HETATM 1898 O HOH B 121 14.100 14.155 14.130 1.00 0.00 O +HETATM 1899 H1 HOH B 121 14.384 15.009 14.454 1.00 0.00 H +HETATM 1900 H2 HOH B 121 14.833 13.842 13.601 1.00 0.00 H +HETATM 1901 O HOH B 122 4.003 14.771 17.165 1.00 0.00 O +HETATM 1902 H1 HOH B 122 4.505 13.961 17.081 1.00 0.00 H +HETATM 1903 H2 HOH B 122 3.263 14.657 16.569 1.00 0.00 H +HETATM 1904 O HOH B 123 29.453 8.901 25.142 1.00 0.00 O +HETATM 1905 H1 HOH B 123 30.319 8.542 25.336 1.00 0.00 H +HETATM 1906 H2 HOH B 123 28.848 8.345 25.633 1.00 0.00 H +HETATM 1907 O HOH B 124 6.328 14.996 3.242 1.00 0.00 O +HETATM 1908 H1 HOH B 124 6.906 14.879 2.488 1.00 0.00 H +HETATM 1909 H2 HOH B 124 5.714 15.678 2.970 1.00 0.00 H +HETATM 1910 O HOH B 125 7.601 25.124 18.506 1.00 0.00 O +HETATM 1911 H1 HOH B 125 8.278 25.096 17.830 1.00 0.00 H +HETATM 1912 H2 HOH B 125 6.882 24.604 18.148 1.00 0.00 H +HETATM 1913 O HOH B 126 22.899 22.411 6.640 1.00 0.00 O +HETATM 1914 H1 HOH B 126 22.620 21.514 6.826 1.00 0.00 H +HETATM 1915 H2 HOH B 126 22.534 22.602 5.776 1.00 0.00 H +HETATM 1916 O HOH B 127 22.786 2.327 16.015 1.00 0.00 O +HETATM 1917 H1 HOH B 127 22.074 2.046 16.590 1.00 0.00 H +HETATM 1918 H2 HOH B 127 22.797 3.281 16.095 1.00 0.00 H +HETATM 1919 O HOH B 128 21.029 8.309 13.148 1.00 0.00 O +HETATM 1920 H1 HOH B 128 20.550 9.136 13.191 1.00 0.00 H +HETATM 1921 H2 HOH B 128 21.008 8.067 12.222 1.00 0.00 H +TER 1922 HOH B 128 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 +CONECT 240 232 +CONECT 241 242 245 246 247 +CONECT 242 241 243 248 249 +CONECT 243 242 244 250 251 +CONECT 244 243 252 +CONECT 245 241 +CONECT 246 241 +CONECT 247 241 +CONECT 248 242 +CONECT 249 242 +CONECT 250 243 +CONECT 251 243 +CONECT 252 244 +CONECT 253 254 257 258 259 +CONECT 254 253 255 260 261 +CONECT 255 254 256 262 263 +CONECT 256 255 264 +CONECT 257 253 +CONECT 258 253 +CONECT 259 253 +CONECT 260 254 +CONECT 261 254 +CONECT 262 255 +CONECT 263 255 +CONECT 264 256 +CONECT 265 266 269 270 271 +CONECT 266 265 267 272 273 +CONECT 267 266 268 274 275 +CONECT 268 267 276 +CONECT 269 265 +CONECT 270 265 +CONECT 271 265 +CONECT 272 266 +CONECT 273 266 +CONECT 274 267 +CONECT 275 267 +CONECT 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a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/1|equilibration_simulation_component_0_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/1|equilibration_simulation_component_0_output.json new file mode 100644 index 00000000..4900b5df --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/1|equilibration_simulation_component_0_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_equilibration_simulation_component_0/output.pdb", ".trajectory_file_path": "1_equilibration_simulation_component_0/trajectory.dcd", ".observables": {"observables": {"PotentialEnergy": {"value": {"value": {"value": [[-2091.4689914748087], [-2156.7392842044355], [-2307.239439147219], [-2396.537009812426], [-2317.978510119494], [-2076.907457932168], [-2448.6071388528217], [-2579.6066062238315], 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b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/input.pdb new file mode 100644 index 00000000..2d183638 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/input.pdb @@ -0,0 +1,6148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 34.956 34.956 34.956 90.00 90.00 90.00 P 1 1 +HETATM 1 C1 UFX A 1 10.609 11.713 12.337 1.00 0.00 C +HETATM 2 C2 UFX A 1 9.871 10.389 12.581 1.00 0.00 C +HETATM 3 C3 UFX A 1 10.294 9.319 11.568 1.00 0.00 C +HETATM 4 O1 UFX A 1 9.788 9.623 10.274 1.00 0.00 O +HETATM 5 H1 UFX A 1 11.686 11.569 12.425 1.00 0.00 H +HETATM 6 H2 UFX A 1 10.386 12.102 11.343 1.00 0.00 H +HETATM 7 H3 UFX A 1 10.306 12.454 13.076 1.00 0.00 H +HETATM 8 H4 UFX A 1 10.101 10.042 13.589 1.00 0.00 H +HETATM 9 H5 UFX A 1 8.794 10.547 12.525 1.00 0.00 H +HETATM 10 H6 UFX A 1 9.917 8.346 11.883 1.00 0.00 H +HETATM 11 H7 UFX A 1 11.382 9.254 11.530 1.00 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27.008 1.085 24.480 1.00 0.00 H +HETATM 176 H4 UFX A 15 26.074 2.918 25.862 1.00 0.00 H +HETATM 177 H5 UFX A 15 25.500 3.063 24.207 1.00 0.00 H +HETATM 178 H6 UFX A 15 23.701 3.408 25.948 1.00 0.00 H +HETATM 179 H7 UFX A 15 23.930 1.747 26.482 1.00 0.00 H +HETATM 180 H8 UFX A 15 23.075 2.607 23.851 1.00 0.00 H +HETATM 181 C1 UFX A 16 19.038 27.879 4.431 1.00 0.00 C +HETATM 182 C2 UFX A 16 20.376 27.374 3.866 1.00 0.00 C +HETATM 183 C3 UFX A 16 21.572 28.035 4.566 1.00 0.00 C +HETATM 184 O1 UFX A 16 21.574 29.442 4.326 1.00 0.00 O +HETATM 185 H1 UFX A 16 18.983 27.692 5.504 1.00 0.00 H +HETATM 186 H2 UFX A 16 18.926 28.950 4.261 1.00 0.00 H +HETATM 187 H3 UFX A 16 18.208 27.366 3.946 1.00 0.00 H +HETATM 188 H4 UFX A 16 20.439 26.294 4.004 1.00 0.00 H +HETATM 189 H5 UFX A 16 20.423 27.564 2.793 1.00 0.00 H +HETATM 190 H6 UFX A 16 22.498 27.596 4.194 1.00 0.00 H +HETATM 191 H7 UFX A 16 21.521 27.846 5.638 1.00 0.00 H +HETATM 192 H8 UFX A 16 21.650 29.646 3.369 1.00 0.00 H +HETATM 193 C1 UFX A 17 26.774 26.065 30.359 1.00 0.00 C +HETATM 194 C2 UFX A 17 27.473 27.358 30.813 1.00 0.00 C +HETATM 195 C3 UFX A 17 26.593 28.192 31.758 1.00 0.00 C +HETATM 196 O1 UFX A 17 25.377 28.576 31.119 1.00 0.00 O +HETATM 197 H1 UFX A 17 26.488 25.464 31.222 1.00 0.00 H +HETATM 198 H2 UFX A 17 25.878 26.293 29.781 1.00 0.00 H +HETATM 199 H3 UFX A 17 27.444 25.475 29.734 1.00 0.00 H +HETATM 200 H4 UFX A 17 28.396 27.099 31.332 1.00 0.00 H +HETATM 201 H5 UFX A 17 27.751 27.956 29.945 1.00 0.00 H +HETATM 202 H6 UFX A 17 27.136 29.082 32.076 1.00 0.00 H +HETATM 203 H7 UFX A 17 26.366 27.613 32.653 1.00 0.00 H +HETATM 204 H8 UFX A 17 25.530 29.157 30.344 1.00 0.00 H +HETATM 205 C1 UFX A 18 22.553 3.442 7.780 1.00 0.00 C +HETATM 206 C2 UFX A 18 23.300 2.478 6.852 1.00 0.00 C +HETATM 207 C3 UFX A 18 23.249 1.034 7.377 1.00 0.00 C +HETATM 208 O1 UFX A 18 24.020 0.894 8.572 1.00 0.00 O +HETATM 209 H1 UFX A 18 21.512 3.134 7.879 1.00 0.00 H +HETATM 210 H2 UFX A 18 23.011 3.464 8.769 1.00 0.00 H +HETATM 211 H3 UFX A 18 22.571 4.452 7.368 1.00 0.00 H +HETATM 212 H4 UFX A 18 22.838 2.513 5.866 1.00 0.00 H +HETATM 213 H5 UFX A 18 24.334 2.805 6.738 1.00 0.00 H +HETATM 214 H6 UFX A 18 23.641 0.361 6.614 1.00 0.00 H +HETATM 215 H7 UFX A 18 22.215 0.746 7.566 1.00 0.00 H +HETATM 216 H8 UFX A 18 24.983 0.960 8.396 1.00 0.00 H +HETATM 217 C1 UFX A 19 22.693 3.675 31.675 1.00 0.00 C +HETATM 218 C2 UFX A 19 22.137 4.787 30.769 1.00 0.00 C +HETATM 219 C3 UFX A 19 22.016 6.121 31.509 1.00 0.00 C +HETATM 220 O1 UFX A 19 21.010 6.033 32.517 1.00 0.00 O +HETATM 221 H1 UFX A 19 23.677 3.949 32.054 1.00 0.00 H +HETATM 222 H2 UFX A 19 22.030 3.499 32.522 1.00 0.00 H +HETATM 223 H3 UFX A 19 22.788 2.745 31.114 1.00 0.00 H +HETATM 224 H4 UFX A 19 22.802 4.918 29.915 1.00 0.00 H +HETATM 225 H5 UFX A 19 21.162 4.498 30.376 1.00 0.00 H +HETATM 226 H6 UFX A 19 21.748 6.899 30.793 1.00 0.00 H +HETATM 227 H7 UFX A 19 22.973 6.394 31.954 1.00 0.00 H +HETATM 228 H8 UFX A 19 20.135 5.809 32.134 1.00 0.00 H +HETATM 229 C1 UFX A 20 17.126 1.885 4.808 1.00 0.00 C +HETATM 230 C2 UFX A 20 16.972 3.402 5.023 1.00 0.00 C +HETATM 231 C3 UFX A 20 17.927 3.928 6.106 1.00 0.00 C +HETATM 232 O1 UFX A 20 17.648 3.306 7.361 1.00 0.00 O +HETATM 233 H1 UFX A 20 18.154 1.639 4.543 1.00 0.00 H +HETATM 234 H2 UFX A 20 16.858 1.338 5.712 1.00 0.00 H +HETATM 235 H3 UFX A 20 16.474 1.553 4.000 1.00 0.00 H +HETATM 236 H4 UFX A 20 17.182 3.916 4.084 1.00 0.00 H +HETATM 237 H5 UFX A 20 15.942 3.633 5.293 1.00 0.00 H +HETATM 238 H6 UFX A 20 17.811 5.007 6.201 1.00 0.00 H +HETATM 239 H7 UFX A 20 18.960 3.732 5.817 1.00 0.00 H +HETATM 240 H8 UFX A 20 16.728 3.477 7.655 1.00 0.00 H +HETATM 241 C1 UFX A 21 26.466 16.334 4.385 1.00 0.00 C +HETATM 242 C2 UFX A 21 27.115 16.330 5.780 1.00 0.00 C +HETATM 243 C3 UFX A 21 26.068 16.455 6.897 1.00 0.00 C +HETATM 244 O1 UFX A 21 25.365 17.692 6.770 1.00 0.00 O +HETATM 245 H1 UFX A 21 25.733 15.531 4.303 1.00 0.00 H +HETATM 246 H2 UFX A 21 25.967 17.284 4.193 1.00 0.00 H +HETATM 247 H3 UFX A 21 27.227 16.188 3.618 1.00 0.00 H +HETATM 248 H4 UFX A 21 27.666 15.399 5.915 1.00 0.00 H +HETATM 249 H5 UFX A 21 27.836 17.144 5.857 1.00 0.00 H +HETATM 250 H6 UFX A 21 26.558 16.410 7.869 1.00 0.00 H +HETATM 251 H7 UFX A 21 25.370 15.620 6.843 1.00 0.00 H +HETATM 252 H8 UFX A 21 25.964 18.460 6.884 1.00 0.00 H +HETATM 253 C1 UFX A 22 29.303 11.031 9.520 1.00 0.00 C +HETATM 254 C2 UFX A 22 29.220 10.603 8.043 1.00 0.00 C +HETATM 255 C3 UFX A 22 29.331 11.805 7.092 1.00 0.00 C +HETATM 256 O1 UFX A 22 28.270 12.728 7.335 1.00 0.00 O +HETATM 257 H1 UFX A 22 30.241 11.551 9.716 1.00 0.00 H +HETATM 258 H2 UFX A 22 28.477 11.695 9.777 1.00 0.00 H +HETATM 259 H3 UFX A 22 29.252 10.156 10.168 1.00 0.00 H +HETATM 260 H4 UFX A 22 30.027 9.903 7.826 1.00 0.00 H +HETATM 261 H5 UFX A 22 28.281 10.079 7.863 1.00 0.00 H +HETATM 262 H6 UFX A 22 29.290 11.461 6.059 1.00 0.00 H +HETATM 263 H7 UFX A 22 30.294 12.299 7.227 1.00 0.00 H +HETATM 264 H8 UFX A 22 27.396 12.331 7.132 1.00 0.00 H +HETATM 265 C1 UFX A 23 22.306 10.993 21.994 1.00 0.00 C +HETATM 266 C2 UFX A 23 22.796 11.998 20.938 1.00 0.00 C +HETATM 267 C3 UFX A 23 23.081 11.300 19.601 1.00 0.00 C +HETATM 268 O1 UFX A 23 24.180 10.409 19.741 1.00 0.00 O +HETATM 269 H1 UFX A 23 21.406 10.484 21.650 1.00 0.00 H +HETATM 270 H2 UFX A 23 23.071 10.243 22.194 1.00 0.00 H +HETATM 271 H3 UFX A 23 22.073 11.509 22.926 1.00 0.00 H +HETATM 272 H4 UFX A 23 22.030 12.760 20.792 1.00 0.00 H +HETATM 273 H5 UFX A 23 23.695 12.504 21.289 1.00 0.00 H +HETATM 274 H6 UFX A 23 23.302 12.039 18.831 1.00 0.00 H +HETATM 275 H7 UFX A 23 22.200 10.744 19.281 1.00 0.00 H +HETATM 276 H8 UFX A 23 25.045 10.871 19.702 1.00 0.00 H +HETATM 277 C1 UFX A 24 6.599 9.887 3.059 1.00 0.00 C +HETATM 278 C2 UFX A 24 5.817 10.724 4.086 1.00 0.00 C +HETATM 279 C3 UFX A 24 4.321 10.375 4.086 1.00 0.00 C +HETATM 280 O1 UFX A 24 3.741 10.678 2.819 1.00 0.00 O +HETATM 281 H1 UFX A 24 6.489 8.823 3.268 1.00 0.00 H +HETATM 282 H2 UFX A 24 6.238 10.080 2.049 1.00 0.00 H +HETATM 283 H3 UFX A 24 7.659 10.138 3.097 1.00 0.00 H +HETATM 284 H4 UFX A 24 6.225 10.537 5.080 1.00 0.00 H +HETATM 285 H5 UFX A 24 5.947 11.785 3.874 1.00 0.00 H +HETATM 286 H6 UFX A 24 3.812 10.943 4.865 1.00 0.00 H +HETATM 287 H7 UFX A 24 4.186 9.316 4.309 1.00 0.00 H +HETATM 288 H8 UFX A 24 3.817 11.631 2.598 1.00 0.00 H +HETATM 289 C1 UFX A 25 7.196 31.625 5.216 1.00 0.00 C +HETATM 290 C2 UFX A 25 6.720 30.966 3.910 1.00 0.00 C +HETATM 291 C3 UFX A 25 7.763 29.979 3.366 1.00 0.00 C +HETATM 292 O1 UFX A 25 8.928 30.686 2.946 1.00 0.00 O +HETATM 293 H1 UFX A 25 7.373 30.867 5.979 1.00 0.00 H +HETATM 294 H2 UFX A 25 8.119 32.182 5.055 1.00 0.00 H +HETATM 295 H3 UFX A 25 6.438 32.315 5.587 1.00 0.00 H +HETATM 296 H4 UFX A 25 5.787 30.435 4.099 1.00 0.00 H +HETATM 297 H5 UFX A 25 6.509 31.731 3.163 1.00 0.00 H +HETATM 298 H6 UFX A 25 7.344 29.435 2.519 1.00 0.00 H +HETATM 299 H7 UFX A 25 8.022 29.248 4.133 1.00 0.00 H +HETATM 300 H8 UFX A 25 8.709 31.396 2.305 1.00 0.00 H +HETATM 301 C1 UFX A 26 29.994 24.760 12.342 1.00 0.00 C +HETATM 302 C2 UFX A 26 31.206 25.379 11.627 1.00 0.00 C +HETATM 303 C3 UFX A 26 32.141 26.112 12.599 1.00 0.00 C +HETATM 304 O1 UFX A 26 31.455 27.198 13.222 1.00 0.00 O +HETATM 305 H1 UFX A 26 30.319 24.067 13.118 1.00 0.00 H +HETATM 306 H2 UFX A 26 29.379 25.535 12.800 1.00 0.00 H +HETATM 307 H3 UFX A 26 29.375 24.214 11.630 1.00 0.00 H +HETATM 308 H4 UFX A 26 31.766 24.592 11.121 1.00 0.00 H +HETATM 309 H5 UFX A 26 30.860 26.074 10.861 1.00 0.00 H +HETATM 310 H6 UFX A 26 33.008 26.491 12.056 1.00 0.00 H +HETATM 311 H7 UFX A 26 32.507 25.418 13.356 1.00 0.00 H +HETATM 312 H8 UFX A 26 31.116 27.838 12.560 1.00 0.00 H +HETATM 313 C1 UFX A 27 12.947 16.669 23.475 1.00 0.00 C +HETATM 314 C2 UFX A 27 14.262 16.747 24.266 1.00 0.00 C +HETATM 315 C3 UFX A 27 14.948 18.111 24.099 1.00 0.00 C +HETATM 316 O1 UFX A 27 15.304 18.331 22.735 1.00 0.00 O +HETATM 317 H1 UFX A 27 12.255 17.446 23.802 1.00 0.00 H +HETATM 318 H2 UFX A 27 13.135 16.796 22.409 1.00 0.00 H +HETATM 319 H3 UFX A 27 12.471 15.699 23.623 1.00 0.00 H +HETATM 320 H4 UFX A 27 14.052 16.581 25.323 1.00 0.00 H +HETATM 321 H5 UFX A 27 14.935 15.953 23.939 1.00 0.00 H +HETATM 322 H6 UFX A 27 15.845 18.144 24.718 1.00 0.00 H +HETATM 323 H7 UFX A 27 14.285 18.906 24.442 1.00 0.00 H +HETATM 324 H8 UFX A 27 15.793 17.568 22.358 1.00 0.00 H +HETATM 325 C1 UFX A 28 20.340 27.311 26.103 1.00 0.00 C +HETATM 326 C2 UFX A 28 19.896 28.744 26.445 1.00 0.00 C +HETATM 327 C3 UFX A 28 18.573 28.775 27.221 1.00 0.00 C +HETATM 328 O1 UFX A 28 17.530 28.194 26.442 1.00 0.00 O +HETATM 329 H1 UFX A 28 20.470 26.722 27.012 1.00 0.00 H +HETATM 330 H2 UFX A 28 19.599 26.819 25.473 1.00 0.00 H +HETATM 331 H3 UFX A 28 21.286 27.329 25.563 1.00 0.00 H +HETATM 332 H4 UFX A 28 20.670 29.228 27.040 1.00 0.00 H +HETATM 333 H5 UFX A 28 19.789 29.323 25.527 1.00 0.00 H +HETATM 334 H6 UFX A 28 18.315 29.806 27.462 1.00 0.00 H +HETATM 335 H7 UFX A 28 18.682 28.236 28.162 1.00 0.00 H +HETATM 336 H8 UFX A 28 16.682 28.165 26.934 1.00 0.00 H +HETATM 337 C1 UFX A 29 23.149 27.023 16.917 1.00 0.00 C +HETATM 338 C2 UFX A 29 23.724 28.364 17.405 1.00 0.00 C +HETATM 339 C3 UFX A 29 24.178 29.248 16.234 1.00 0.00 C +HETATM 340 O1 UFX A 29 25.260 28.624 15.545 1.00 0.00 O +HETATM 341 H1 UFX A 29 22.298 27.190 16.257 1.00 0.00 H +HETATM 342 H2 UFX A 29 23.902 26.451 16.375 1.00 0.00 H +HETATM 343 H3 UFX A 29 22.812 26.430 17.768 1.00 0.00 H +HETATM 344 H4 UFX A 29 22.958 28.893 17.973 1.00 0.00 H +HETATM 345 H5 UFX A 29 24.562 28.185 18.078 1.00 0.00 H +HETATM 346 H6 UFX A 29 24.494 30.221 16.610 1.00 0.00 H +HETATM 347 H7 UFX A 29 23.347 29.416 15.549 1.00 0.00 H +HETATM 348 H8 UFX A 29 26.026 28.460 16.136 1.00 0.00 H +HETATM 349 C1 UFX A 30 22.092 5.269 12.913 1.00 0.00 C +HETATM 350 C2 UFX A 30 21.170 4.053 12.710 1.00 0.00 C +HETATM 351 C3 UFX A 30 21.452 2.932 13.721 1.00 0.00 C +HETATM 352 O1 UFX A 30 22.800 2.489 13.609 1.00 0.00 O +HETATM 353 H1 UFX A 30 21.976 5.675 13.917 1.00 0.00 H +HETATM 354 H2 UFX A 30 23.136 4.989 12.769 1.00 0.00 H +HETATM 355 H3 UFX A 30 21.846 6.049 12.193 1.00 0.00 H +HETATM 356 H4 UFX A 30 20.132 4.367 12.817 1.00 0.00 H +HETATM 357 H5 UFX A 30 21.290 3.669 11.697 1.00 0.00 H +HETATM 358 H6 UFX A 30 20.776 2.096 13.541 1.00 0.00 H +HETATM 359 H7 UFX A 30 21.264 3.290 14.734 1.00 0.00 H +HETATM 360 H8 UFX A 30 23.024 2.229 12.690 1.00 0.00 H +HETATM 361 C1 UFX A 31 10.018 21.054 11.919 1.00 0.00 C +HETATM 362 C2 UFX A 31 8.993 21.422 10.835 1.00 0.00 C +HETATM 363 C3 UFX A 31 8.018 20.270 10.541 1.00 0.00 C +HETATM 364 O1 UFX A 31 8.731 19.154 10.002 1.00 0.00 O +HETATM 365 H1 UFX A 31 9.511 20.740 12.832 1.00 0.00 H +HETATM 366 H2 UFX A 31 10.663 20.243 11.580 1.00 0.00 H +HETATM 367 H3 UFX A 31 10.642 21.916 12.152 1.00 0.00 H +HETATM 368 H4 UFX A 31 8.423 22.288 11.170 1.00 0.00 H +HETATM 369 H5 UFX A 31 9.510 21.711 9.920 1.00 0.00 H +HETATM 370 H6 UFX A 31 7.262 20.605 9.830 1.00 0.00 H +HETATM 371 H7 UFX A 31 7.497 19.978 11.453 1.00 0.00 H +HETATM 372 H8 UFX A 31 9.233 19.408 9.198 1.00 0.00 H +HETATM 373 C1 UFX A 32 29.209 28.121 26.374 1.00 0.00 C +HETATM 374 C2 UFX A 32 28.429 28.792 25.231 1.00 0.00 C +HETATM 375 C3 UFX A 32 27.306 27.888 24.698 1.00 0.00 C +HETATM 376 O1 UFX A 32 27.865 26.738 24.072 1.00 0.00 O +HETATM 377 H1 UFX A 32 28.539 27.858 27.193 1.00 0.00 H +HETATM 378 H2 UFX A 32 29.703 27.216 26.022 1.00 0.00 H +HETATM 379 H3 UFX A 32 29.970 28.801 26.759 1.00 0.00 H +HETATM 380 H4 UFX A 32 27.999 29.727 25.592 1.00 0.00 H +HETATM 381 H5 UFX A 32 29.111 29.051 24.421 1.00 0.00 H +HETATM 382 H6 UFX A 32 26.707 28.439 23.972 1.00 0.00 H +HETATM 383 H7 UFX A 32 26.646 27.586 25.512 1.00 0.00 H +HETATM 384 H8 UFX A 32 28.418 26.987 23.301 1.00 0.00 H +HETATM 385 C1 UFX A 33 8.225 30.958 26.460 1.00 0.00 C +HETATM 386 C2 UFX A 33 7.421 30.660 27.737 1.00 0.00 C +HETATM 387 C3 UFX A 33 7.858 29.343 28.401 1.00 0.00 C +HETATM 388 O1 UFX A 33 7.671 28.251 27.506 1.00 0.00 O +HETATM 389 H1 UFX A 33 9.293 30.985 26.676 1.00 0.00 H +HETATM 390 H2 UFX A 33 8.040 30.195 25.703 1.00 0.00 H +HETATM 391 H3 UFX A 33 7.930 31.922 26.044 1.00 0.00 H +HETATM 392 H4 UFX A 33 7.558 31.477 28.446 1.00 0.00 H +HETATM 393 H5 UFX A 33 6.359 30.615 27.498 1.00 0.00 H +HETATM 394 H6 UFX A 33 7.271 29.179 29.305 1.00 0.00 H +HETATM 395 H7 UFX A 33 8.906 29.403 28.696 1.00 0.00 H +HETATM 396 H8 UFX A 33 6.764 28.236 27.135 1.00 0.00 H +HETATM 397 C1 UFX A 34 3.955 29.812 22.535 1.00 0.00 C +HETATM 398 C2 UFX A 34 4.605 28.419 22.589 1.00 0.00 C +HETATM 399 C3 UFX A 34 6.076 28.502 23.018 1.00 0.00 C +HETATM 400 O1 UFX A 34 6.840 29.180 22.024 1.00 0.00 O +HETATM 401 H1 UFX A 34 4.026 30.302 23.506 1.00 0.00 H +HETATM 402 H2 UFX A 34 4.449 30.439 21.792 1.00 0.00 H +HETATM 403 H3 UFX A 34 2.902 29.727 22.266 1.00 0.00 H +HETATM 404 H4 UFX A 34 4.059 27.798 23.299 1.00 0.00 H +HETATM 405 H5 UFX A 34 4.532 27.936 21.614 1.00 0.00 H +HETATM 406 H6 UFX A 34 6.470 27.496 23.160 1.00 0.00 H +HETATM 407 H7 UFX A 34 6.159 29.024 23.971 1.00 0.00 H +HETATM 408 H8 UFX A 34 6.837 28.693 21.172 1.00 0.00 H +HETATM 409 C1 UFX A 35 16.046 28.821 31.168 1.00 0.00 C +HETATM 410 C2 UFX A 35 15.503 27.549 31.841 1.00 0.00 C +HETATM 411 C3 UFX A 35 15.114 26.474 30.819 1.00 0.00 C +HETATM 412 O1 UFX A 35 14.036 26.935 29.998 1.00 0.00 O +HETATM 413 H1 UFX A 35 16.896 28.582 30.530 1.00 0.00 H +HETATM 414 H2 UFX A 35 15.277 29.296 30.559 1.00 0.00 H +HETATM 415 H3 UFX A 35 16.372 29.537 31.923 1.00 0.00 H +HETATM 416 H4 UFX A 35 16.270 27.143 32.501 1.00 0.00 H +HETATM 417 H5 UFX A 35 14.640 27.795 32.460 1.00 0.00 H +HETATM 418 H6 UFX A 35 14.813 25.567 31.345 1.00 0.00 H +HETATM 419 H7 UFX A 35 15.973 26.220 30.197 1.00 0.00 H +HETATM 420 H8 UFX A 35 13.283 27.259 30.538 1.00 0.00 H +HETATM 421 C1 UFX A 36 19.594 4.407 1.214 1.00 0.00 C +HETATM 422 C2 UFX A 36 21.091 4.525 0.881 1.00 0.00 C +HETATM 423 C3 UFX A 36 21.602 5.963 1.052 1.00 0.00 C +HETATM 424 O1 UFX A 36 20.934 6.839 0.148 1.00 0.00 O +HETATM 425 H1 UFX A 36 19.403 4.737 2.235 1.00 0.00 H +HETATM 426 H2 UFX A 36 18.998 5.015 0.534 1.00 0.00 H +HETATM 427 H3 UFX A 36 19.269 3.370 1.121 1.00 0.00 H +HETATM 428 H4 UFX A 36 21.655 3.864 1.540 1.00 0.00 H +HETATM 429 H5 UFX A 36 21.272 4.191 -0.141 1.00 0.00 H +HETATM 430 H6 UFX A 36 22.676 5.996 0.867 1.00 0.00 H +HETATM 431 H7 UFX A 36 21.435 6.292 2.078 1.00 0.00 H +HETATM 432 H8 UFX A 36 21.050 6.560 -0.786 1.00 0.00 H +HETATM 433 C1 UFX A 37 21.316 2.264 28.345 1.00 0.00 C +HETATM 434 C2 UFX A 37 20.903 1.399 27.145 1.00 0.00 C +HETATM 435 C3 UFX A 37 19.609 0.620 27.422 1.00 0.00 C +HETATM 436 O1 UFX A 37 19.791 -0.262 28.529 1.00 0.00 O +HETATM 437 H1 UFX A 37 20.530 2.979 28.584 1.00 0.00 H +HETATM 438 H2 UFX A 37 21.505 1.644 29.222 1.00 0.00 H +HETATM 439 H3 UFX A 37 22.228 2.815 28.115 1.00 0.00 H +HETATM 440 H4 UFX A 37 20.760 2.036 26.272 1.00 0.00 H +HETATM 441 H5 UFX A 37 21.707 0.708 26.895 1.00 0.00 H +HETATM 442 H6 UFX A 37 19.333 0.044 26.538 1.00 0.00 H +HETATM 443 H7 UFX A 37 18.794 1.313 27.631 1.00 0.00 H +HETATM 444 H8 UFX A 37 20.555 -0.863 28.395 1.00 0.00 H +HETATM 445 C1 UFX A 38 4.192 2.701 13.353 1.00 0.00 C +HETATM 446 C2 UFX A 38 4.449 4.216 13.298 1.00 0.00 C +HETATM 447 C3 UFX A 38 3.503 4.932 12.324 1.00 0.00 C +HETATM 448 O1 UFX A 38 3.696 4.436 11.001 1.00 0.00 O +HETATM 449 H1 UFX A 38 3.163 2.497 13.649 1.00 0.00 H +HETATM 450 H2 UFX A 38 4.373 2.242 12.381 1.00 0.00 H +HETATM 451 H3 UFX A 38 4.859 2.234 14.078 1.00 0.00 H +HETATM 452 H4 UFX A 38 4.315 4.638 14.295 1.00 0.00 H +HETATM 453 H5 UFX A 38 5.483 4.403 13.008 1.00 0.00 H +HETATM 454 H6 UFX A 38 3.701 6.004 12.346 1.00 0.00 H +HETATM 455 H7 UFX A 38 2.467 4.782 12.629 1.00 0.00 H +HETATM 456 H8 UFX A 38 4.648 4.418 10.760 1.00 0.00 H +HETATM 457 C1 UFX A 39 13.012 18.552 3.193 1.00 0.00 C +HETATM 458 C2 UFX A 39 11.830 18.123 2.308 1.00 0.00 C +HETATM 459 C3 UFX A 39 11.647 19.042 1.088 1.00 0.00 C +HETATM 460 O1 UFX A 39 11.442 20.396 1.492 1.00 0.00 O +HETATM 461 H1 UFX A 39 13.936 18.560 2.614 1.00 0.00 H +HETATM 462 H2 UFX A 39 12.848 19.548 3.604 1.00 0.00 H +HETATM 463 H3 UFX A 39 13.133 17.855 4.023 1.00 0.00 H +HETATM 464 H4 UFX A 39 11.996 17.103 1.960 1.00 0.00 H +HETATM 465 H5 UFX A 39 10.915 18.111 2.899 1.00 0.00 H +HETATM 466 H6 UFX A 39 10.791 18.702 0.505 1.00 0.00 H +HETATM 467 H7 UFX A 39 12.524 18.981 0.443 1.00 0.00 H +HETATM 468 H8 UFX A 39 10.787 20.466 2.219 1.00 0.00 H +HETATM 469 C1 UFX A 40 17.390 8.145 26.171 1.00 0.00 C +HETATM 470 C2 UFX A 40 17.845 9.568 25.806 1.00 0.00 C +HETATM 471 C3 UFX A 40 19.237 9.577 25.155 1.00 0.00 C +HETATM 472 O1 UFX A 40 20.231 9.125 26.073 1.00 0.00 O +HETATM 473 H1 UFX A 40 17.386 7.504 25.289 1.00 0.00 H +HETATM 474 H2 UFX A 40 18.054 7.706 26.916 1.00 0.00 H +HETATM 475 H3 UFX A 40 16.383 8.167 26.588 1.00 0.00 H +HETATM 476 H4 UFX A 40 17.126 10.001 25.111 1.00 0.00 H +HETATM 477 H5 UFX A 40 17.852 10.193 26.699 1.00 0.00 H +HETATM 478 H6 UFX A 40 19.478 10.587 24.825 1.00 0.00 H +HETATM 479 H7 UFX A 40 19.236 8.938 24.272 1.00 0.00 H +HETATM 480 H8 UFX A 40 20.325 9.725 26.843 1.00 0.00 H +HETATM 481 C1 UFX A 41 20.050 19.876 29.819 1.00 0.00 C +HETATM 482 C2 UFX A 41 21.159 19.823 30.885 1.00 0.00 C +HETATM 483 C3 UFX A 41 20.995 20.937 31.929 1.00 0.00 C +HETATM 484 O1 UFX A 41 21.104 22.215 31.306 1.00 0.00 O +HETATM 485 H1 UFX A 41 19.068 19.782 30.283 1.00 0.00 H +HETATM 486 H2 UFX A 41 20.088 20.817 29.271 1.00 0.00 H +HETATM 487 H3 UFX A 41 20.174 19.061 29.106 1.00 0.00 H +HETATM 488 H4 UFX A 41 21.129 18.855 31.387 1.00 0.00 H +HETATM 489 H5 UFX A 41 22.135 19.910 30.407 1.00 0.00 H +HETATM 490 H6 UFX A 41 21.763 20.837 32.697 1.00 0.00 H +HETATM 491 H7 UFX A 41 20.026 20.848 32.420 1.00 0.00 H +HETATM 492 H8 UFX A 41 21.972 22.338 30.864 1.00 0.00 H +HETATM 493 C1 UFX A 42 8.579 8.629 23.139 1.00 0.00 C +HETATM 494 C2 UFX A 42 8.893 9.073 21.701 1.00 0.00 C +HETATM 495 C3 UFX A 42 8.176 8.200 20.665 1.00 0.00 C +HETATM 496 O1 UFX A 42 8.678 6.867 20.712 1.00 0.00 O +HETATM 497 H1 UFX A 42 7.506 8.667 23.325 1.00 0.00 H +HETATM 498 H2 UFX A 42 8.929 7.611 23.315 1.00 0.00 H +HETATM 499 H3 UFX A 42 9.074 9.289 23.852 1.00 0.00 H +HETATM 500 H4 UFX A 42 8.578 10.109 21.572 1.00 0.00 H +HETATM 501 H5 UFX A 42 9.969 9.035 21.529 1.00 0.00 H +HETATM 502 H6 UFX A 42 8.323 8.612 19.667 1.00 0.00 H +HETATM 503 H7 UFX A 42 7.103 8.198 20.862 1.00 0.00 H +HETATM 504 H8 UFX A 42 9.584 6.804 20.340 1.00 0.00 H +HETATM 505 C1 UFX A 43 13.504 28.199 25.505 1.00 0.00 C +HETATM 506 C2 UFX A 43 13.229 28.866 26.864 1.00 0.00 C +HETATM 507 C3 UFX A 43 14.534 29.313 27.537 1.00 0.00 C +HETATM 508 O1 UFX A 43 15.299 28.173 27.925 1.00 0.00 O +HETATM 509 H1 UFX A 43 13.994 28.899 24.828 1.00 0.00 H +HETATM 510 H2 UFX A 43 14.146 27.327 25.624 1.00 0.00 H +HETATM 511 H3 UFX A 43 12.567 27.878 25.049 1.00 0.00 H +HETATM 512 H4 UFX A 43 12.588 29.734 26.711 1.00 0.00 H +HETATM 513 H5 UFX A 43 12.695 28.175 27.517 1.00 0.00 H +HETATM 514 H6 UFX A 43 14.305 29.913 28.418 1.00 0.00 H +HETATM 515 H7 UFX A 43 15.111 29.939 26.856 1.00 0.00 H +HETATM 516 H8 UFX A 43 14.851 27.663 28.634 1.00 0.00 H +HETATM 517 C1 UFX A 44 8.203 13.135 20.849 1.00 0.00 C +HETATM 518 C2 UFX A 44 7.085 12.988 19.807 1.00 0.00 C +HETATM 519 C3 UFX A 44 7.411 13.747 18.511 1.00 0.00 C +HETATM 520 O1 UFX A 44 7.442 15.156 18.749 1.00 0.00 O +HETATM 521 H1 UFX A 44 9.137 12.722 20.467 1.00 0.00 H +HETATM 522 H2 UFX A 44 8.363 14.184 21.097 1.00 0.00 H +HETATM 523 H3 UFX A 44 7.941 12.602 21.764 1.00 0.00 H +HETATM 524 H4 UFX A 44 6.950 11.930 19.578 1.00 0.00 H +HETATM 525 H5 UFX A 44 6.143 13.349 20.220 1.00 0.00 H +HETATM 526 H6 UFX A 44 6.654 13.521 17.760 1.00 0.00 H +HETATM 527 H7 UFX A 44 8.372 13.415 18.119 1.00 0.00 H +HETATM 528 H8 UFX A 44 6.619 15.469 19.182 1.00 0.00 H +HETATM 529 C1 UFX A 45 28.380 15.049 27.300 1.00 0.00 C +HETATM 530 C2 UFX A 45 26.911 14.632 27.493 1.00 0.00 C +HETATM 531 C3 UFX A 45 26.802 13.411 28.414 1.00 0.00 C +HETATM 532 O1 UFX A 45 27.379 12.277 27.770 1.00 0.00 O +HETATM 533 H1 UFX A 45 28.816 15.365 28.248 1.00 0.00 H +HETATM 534 H2 UFX A 45 28.970 14.218 26.914 1.00 0.00 H +HETATM 535 H3 UFX A 45 28.449 15.872 26.588 1.00 0.00 H +HETATM 536 H4 UFX A 45 26.350 15.463 27.922 1.00 0.00 H +HETATM 537 H5 UFX A 45 26.460 14.406 26.526 1.00 0.00 H +HETATM 538 H6 UFX A 45 25.756 13.209 28.646 1.00 0.00 H +HETATM 539 H7 UFX A 45 27.314 13.607 29.356 1.00 0.00 H +HETATM 540 H8 UFX A 45 26.933 12.071 26.921 1.00 0.00 H +HETATM 541 C1 UFX A 46 11.909 29.385 31.219 1.00 0.00 C +HETATM 542 C2 UFX A 46 11.333 30.803 31.063 1.00 0.00 C +HETATM 543 C3 UFX A 46 11.964 31.545 29.874 1.00 0.00 C +HETATM 544 O1 UFX A 46 13.361 31.726 30.090 1.00 0.00 O +HETATM 545 H1 UFX A 46 11.730 28.799 30.318 1.00 0.00 H +HETATM 546 H2 UFX A 46 12.983 29.428 31.405 1.00 0.00 H +HETATM 547 H3 UFX A 46 11.439 28.879 32.063 1.00 0.00 H +HETATM 548 H4 UFX A 46 10.255 30.735 30.910 1.00 0.00 H +HETATM 549 H5 UFX A 46 11.495 31.371 31.979 1.00 0.00 H +HETATM 550 H6 UFX A 46 11.484 32.516 29.749 1.00 0.00 H +HETATM 551 H7 UFX A 46 11.803 30.979 28.956 1.00 0.00 H +HETATM 552 H8 UFX A 46 13.546 32.283 30.876 1.00 0.00 H +HETATM 553 C1 UFX A 47 19.648 4.786 25.700 1.00 0.00 C +HETATM 554 C2 UFX A 47 21.044 5.427 25.653 1.00 0.00 C +HETATM 555 C3 UFX A 47 21.498 5.950 27.025 1.00 0.00 C +HETATM 556 O1 UFX A 47 20.570 6.896 27.544 1.00 0.00 O +HETATM 557 H1 UFX A 47 19.596 4.033 26.487 1.00 0.00 H +HETATM 558 H2 UFX A 47 18.884 5.539 25.893 1.00 0.00 H +HETATM 559 H3 UFX A 47 19.422 4.299 24.751 1.00 0.00 H +HETATM 560 H4 UFX A 47 21.765 4.682 25.317 1.00 0.00 H +HETATM 561 H5 UFX A 47 21.052 6.241 24.928 1.00 0.00 H +HETATM 562 H6 UFX A 47 22.480 6.413 26.924 1.00 0.00 H +HETATM 563 H7 UFX A 47 21.599 5.119 27.724 1.00 0.00 H +HETATM 564 H8 UFX A 47 20.452 7.660 26.939 1.00 0.00 H +HETATM 565 C1 UFX A 48 15.806 16.061 20.398 1.00 0.00 C +HETATM 566 C2 UFX A 48 15.604 15.337 19.058 1.00 0.00 C +HETATM 567 C3 UFX A 48 15.574 16.319 17.878 1.00 0.00 C +HETATM 568 O1 UFX A 48 14.447 17.183 17.993 1.00 0.00 O +HETATM 569 H1 UFX A 48 16.743 16.618 20.394 1.00 0.00 H +HETATM 570 H2 UFX A 48 14.987 16.758 20.580 1.00 0.00 H +HETATM 571 H3 UFX A 48 15.832 15.341 21.216 1.00 0.00 H +HETATM 572 H4 UFX A 48 16.420 14.628 18.914 1.00 0.00 H +HETATM 573 H5 UFX A 48 14.676 14.765 19.081 1.00 0.00 H +HETATM 574 H6 UFX A 48 15.522 15.766 16.940 1.00 0.00 H +HETATM 575 H7 UFX A 48 16.489 16.911 17.860 1.00 0.00 H +HETATM 576 H8 UFX A 48 13.600 16.689 17.959 1.00 0.00 H +HETATM 577 C1 UFX A 49 4.179 19.252 25.493 1.00 0.00 C +HETATM 578 C2 UFX A 49 4.161 17.800 24.994 1.00 0.00 C +HETATM 579 C3 UFX A 49 5.203 16.916 25.700 1.00 0.00 C +HETATM 580 O1 UFX A 49 6.494 17.528 25.698 1.00 0.00 O +HETATM 581 H1 UFX A 49 4.088 19.281 26.579 1.00 0.00 H +HETATM 582 H2 UFX A 49 5.111 19.742 25.210 1.00 0.00 H +HETATM 583 H3 UFX A 49 3.357 19.814 25.051 1.00 0.00 H +HETATM 584 H4 UFX A 49 3.172 17.372 25.159 1.00 0.00 H +HETATM 585 H5 UFX A 49 4.341 17.785 23.919 1.00 0.00 H +HETATM 586 H6 UFX A 49 5.248 15.949 25.198 1.00 0.00 H +HETATM 587 H7 UFX A 49 4.894 16.730 26.729 1.00 0.00 H +HETATM 588 H8 UFX A 49 6.728 17.874 24.810 1.00 0.00 H +HETATM 589 C1 UFX A 50 5.193 27.203 13.820 1.00 0.00 C +HETATM 590 C2 UFX A 50 4.187 27.753 12.795 1.00 0.00 C +HETATM 591 C3 UFX A 50 4.384 27.155 11.395 1.00 0.00 C +HETATM 592 O1 UFX A 50 5.729 27.339 10.957 1.00 0.00 O +HETATM 593 H1 UFX A 50 5.111 26.118 13.888 1.00 0.00 H +HETATM 594 H2 UFX A 50 6.215 27.459 13.541 1.00 0.00 H +HETATM 595 H3 UFX A 50 4.993 27.626 14.805 1.00 0.00 H +HETATM 596 H4 UFX A 50 3.175 27.527 13.134 1.00 0.00 H +HETATM 597 H5 UFX A 50 4.271 28.838 12.737 1.00 0.00 H +HETATM 598 H6 UFX A 50 3.698 27.634 10.696 1.00 0.00 H +HETATM 599 H7 UFX A 50 4.146 26.091 11.410 1.00 0.00 H +HETATM 600 H8 UFX A 50 6.052 28.246 11.142 1.00 0.00 H +HETATM 601 C1 UFX A 51 27.796 17.497 11.371 1.00 0.00 C +HETATM 602 C2 UFX A 51 28.185 18.866 10.793 1.00 0.00 C +HETATM 603 C3 UFX A 51 29.681 19.161 10.983 1.00 0.00 C +HETATM 604 O1 UFX A 51 30.002 19.249 12.370 1.00 0.00 O +HETATM 605 H1 UFX A 51 28.382 16.706 10.902 1.00 0.00 H +HETATM 606 H2 UFX A 51 27.970 17.466 12.447 1.00 0.00 H +HETATM 607 H3 UFX A 51 26.741 17.295 11.190 1.00 0.00 H +HETATM 608 H4 UFX A 51 27.953 18.876 9.728 1.00 0.00 H +HETATM 609 H5 UFX A 51 27.590 19.650 11.263 1.00 0.00 H +HETATM 610 H6 UFX A 51 29.933 20.100 10.490 1.00 0.00 H +HETATM 611 H7 UFX A 51 30.277 18.376 10.516 1.00 0.00 H +HETATM 612 H8 UFX A 51 29.477 19.942 12.824 1.00 0.00 H +HETATM 613 C1 UFX A 52 13.811 30.231 3.676 1.00 0.00 C +HETATM 614 C2 UFX A 52 12.828 30.440 2.513 1.00 0.00 C +HETATM 615 C3 UFX A 52 12.137 31.806 2.608 1.00 0.00 C +HETATM 616 O1 UFX A 52 11.255 31.835 3.728 1.00 0.00 O +HETATM 617 H1 UFX A 52 14.602 30.980 3.647 1.00 0.00 H +HETATM 618 H2 UFX A 52 13.295 30.308 4.633 1.00 0.00 H +HETATM 619 H3 UFX A 52 14.269 29.244 3.612 1.00 0.00 H +HETATM 620 H4 UFX A 52 13.373 30.373 1.571 1.00 0.00 H +HETATM 621 H5 UFX A 52 12.077 29.649 2.510 1.00 0.00 H +HETATM 622 H6 UFX A 52 11.573 31.998 1.696 1.00 0.00 H +HETATM 623 H7 UFX A 52 12.884 32.595 2.704 1.00 0.00 H +HETATM 624 H8 UFX A 52 10.490 31.233 3.609 1.00 0.00 H +HETATM 625 C1 UFX A 53 5.158 5.904 23.026 1.00 0.00 C +HETATM 626 C2 UFX A 53 5.653 5.211 21.746 1.00 0.00 C +HETATM 627 C3 UFX A 53 6.845 4.284 22.018 1.00 0.00 C +HETATM 628 O1 UFX A 53 7.964 5.032 22.493 1.00 0.00 O +HETATM 629 H1 UFX A 53 4.880 5.163 23.776 1.00 0.00 H +HETATM 630 H2 UFX A 53 5.934 6.547 23.442 1.00 0.00 H +HETATM 631 H3 UFX A 53 4.283 6.517 22.812 1.00 0.00 H +HETATM 632 H4 UFX A 53 4.838 4.626 21.321 1.00 0.00 H +HETATM 633 H5 UFX A 53 5.933 5.960 21.004 1.00 0.00 H +HETATM 634 H6 UFX A 53 7.117 3.765 21.099 1.00 0.00 H +HETATM 635 H7 UFX A 53 6.567 3.527 22.751 1.00 0.00 H +HETATM 636 H8 UFX A 53 8.206 5.750 21.871 1.00 0.00 H +HETATM 637 C1 UFX A 54 31.511 1.754 10.246 1.00 0.00 C +HETATM 638 C2 UFX A 54 30.198 1.814 11.045 1.00 0.00 C +HETATM 639 C3 UFX A 54 29.596 0.417 11.258 1.00 0.00 C +HETATM 640 O1 UFX A 54 29.240 -0.169 10.008 1.00 0.00 O +HETATM 641 H1 UFX A 54 32.247 1.143 10.769 1.00 0.00 H +HETATM 642 H2 UFX A 54 31.343 1.328 9.257 1.00 0.00 H +HETATM 643 H3 UFX A 54 31.923 2.755 10.124 1.00 0.00 H +HETATM 644 H4 UFX A 54 30.394 2.271 12.015 1.00 0.00 H +HETATM 645 H5 UFX A 54 29.476 2.450 10.533 1.00 0.00 H +HETATM 646 H6 UFX A 54 28.711 0.494 11.890 1.00 0.00 H +HETATM 647 H7 UFX A 54 30.313 -0.221 11.775 1.00 0.00 H +HETATM 648 H8 UFX A 54 28.621 0.400 9.502 1.00 0.00 H +HETATM 649 C1 UFX A 55 16.873 20.776 7.189 1.00 0.00 C +HETATM 650 C2 UFX A 55 17.853 19.775 6.555 1.00 0.00 C +HETATM 651 C3 UFX A 55 17.159 18.478 6.113 1.00 0.00 C +HETATM 652 O1 UFX A 55 16.548 17.832 7.225 1.00 0.00 O +HETATM 653 H1 UFX A 55 16.075 21.028 6.490 1.00 0.00 H +HETATM 654 H2 UFX A 55 16.429 20.361 8.094 1.00 0.00 H +HETATM 655 H3 UFX A 55 17.395 21.694 7.457 1.00 0.00 H +HETATM 656 H4 UFX A 55 18.324 20.238 5.688 1.00 0.00 H +HETATM 657 H5 UFX A 55 18.647 19.543 7.265 1.00 0.00 H +HETATM 658 H6 UFX A 55 17.893 17.811 5.660 1.00 0.00 H +HETATM 659 H7 UFX A 55 16.405 18.700 5.357 1.00 0.00 H +HETATM 660 H8 UFX A 55 17.192 17.656 7.944 1.00 0.00 H +HETATM 661 C1 UFX A 56 10.979 5.362 11.031 1.00 0.00 C +HETATM 662 C2 UFX A 56 12.150 6.036 10.294 1.00 0.00 C +HETATM 663 C3 UFX A 56 11.702 6.749 9.009 1.00 0.00 C +HETATM 664 O1 UFX A 56 11.079 5.827 8.116 1.00 0.00 O +HETATM 665 H1 UFX A 56 10.217 6.095 11.297 1.00 0.00 H +HETATM 666 H2 UFX A 56 10.520 4.594 10.408 1.00 0.00 H +HETATM 667 H3 UFX A 56 11.336 4.889 11.946 1.00 0.00 H +HETATM 668 H4 UFX A 56 12.618 6.765 10.957 1.00 0.00 H +HETATM 669 H5 UFX A 56 12.906 5.289 10.053 1.00 0.00 H +HETATM 670 H6 UFX A 56 12.566 7.205 8.525 1.00 0.00 H +HETATM 671 H7 UFX A 56 11.006 7.552 9.252 1.00 0.00 H +HETATM 672 H8 UFX A 56 11.672 5.079 7.890 1.00 0.00 H +HETATM 673 C1 UFX A 57 14.821 21.517 1.132 1.00 0.00 C +HETATM 674 C2 UFX A 57 16.063 21.724 2.017 1.00 0.00 C +HETATM 675 C3 UFX A 57 15.838 21.218 3.448 1.00 0.00 C +HETATM 676 O1 UFX A 57 14.781 21.946 4.064 1.00 0.00 O +HETATM 677 H1 UFX A 57 14.557 20.461 1.081 1.00 0.00 H +HETATM 678 H2 UFX A 57 13.967 22.068 1.528 1.00 0.00 H +HETATM 679 H3 UFX A 57 15.017 21.873 0.121 1.00 0.00 H +HETATM 680 H4 UFX A 57 16.908 21.192 1.579 1.00 0.00 H +HETATM 681 H5 UFX A 57 16.326 22.782 2.041 1.00 0.00 H +HETATM 682 H6 UFX A 57 16.753 21.343 4.027 1.00 0.00 H +HETATM 683 H7 UFX A 57 15.598 20.154 3.436 1.00 0.00 H +HETATM 684 H8 UFX A 57 14.991 22.902 4.127 1.00 0.00 H +HETATM 685 C1 UFX A 58 5.517 24.660 0.849 1.00 0.00 C +HETATM 686 C2 UFX A 58 7.005 24.749 1.218 1.00 0.00 C +HETATM 687 C3 UFX A 58 7.435 23.603 2.144 1.00 0.00 C +HETATM 688 O1 UFX A 58 6.690 23.641 3.361 1.00 0.00 O +HETATM 689 H1 UFX A 58 5.287 23.681 0.429 1.00 0.00 H +HETATM 690 H2 UFX A 58 4.894 24.820 1.729 1.00 0.00 H +HETATM 691 H3 UFX A 58 5.267 25.421 0.109 1.00 0.00 H +HETATM 692 H4 UFX A 58 7.601 24.705 0.306 1.00 0.00 H +HETATM 693 H5 UFX A 58 7.211 25.708 1.692 1.00 0.00 H +HETATM 694 H6 UFX A 58 8.501 23.695 2.357 1.00 0.00 H +HETATM 695 H7 UFX A 58 7.284 22.646 1.646 1.00 0.00 H +HETATM 696 H8 UFX A 58 6.683 24.537 3.760 1.00 0.00 H +HETATM 697 C1 UFX A 59 19.505 21.901 18.821 1.00 0.00 C +HETATM 698 C2 UFX A 59 20.145 20.549 18.463 1.00 0.00 C +HETATM 699 C3 UFX A 59 19.623 19.405 19.344 1.00 0.00 C +HETATM 700 O1 UFX A 59 19.937 19.648 20.715 1.00 0.00 O +HETATM 701 H1 UFX A 59 18.423 21.855 18.700 1.00 0.00 H +HETATM 702 H2 UFX A 59 19.729 22.176 19.851 1.00 0.00 H +HETATM 703 H3 UFX A 59 19.889 22.682 18.164 1.00 0.00 H +HETATM 704 H4 UFX A 59 19.937 20.320 17.418 1.00 0.00 H +HETATM 705 H5 UFX A 59 21.228 20.621 18.562 1.00 0.00 H +HETATM 706 H6 UFX A 59 20.079 18.468 19.023 1.00 0.00 H +HETATM 707 H7 UFX A 59 18.545 19.296 19.222 1.00 0.00 H +HETATM 708 H8 UFX A 59 20.890 19.846 20.838 1.00 0.00 H +HETATM 709 C1 UFX A 60 32.575 8.173 20.140 1.00 0.00 C +HETATM 710 C2 UFX A 60 32.695 7.131 19.017 1.00 0.00 C +HETATM 711 C3 UFX A 60 31.851 5.879 19.308 1.00 0.00 C +HETATM 712 O1 UFX A 60 32.282 5.255 20.518 1.00 0.00 O +HETATM 713 H1 UFX A 60 31.532 8.454 20.290 1.00 0.00 H +HETATM 714 H2 UFX A 60 32.966 7.779 21.078 1.00 0.00 H +HETATM 715 H3 UFX A 60 33.141 9.070 19.887 1.00 0.00 H +HETATM 716 H4 UFX A 60 32.359 7.574 18.080 1.00 0.00 H +HETATM 717 H5 UFX A 60 33.740 6.849 18.886 1.00 0.00 H +HETATM 718 H6 UFX A 60 31.945 5.176 18.481 1.00 0.00 H +HETATM 719 H7 UFX A 60 30.799 6.155 19.388 1.00 0.00 H +HETATM 720 H8 UFX A 60 33.251 5.104 20.523 1.00 0.00 H +HETATM 721 C1 UFX A 61 13.725 1.923 31.146 1.00 0.00 C +HETATM 722 C2 UFX A 61 13.246 1.788 29.690 1.00 0.00 C +HETATM 723 C3 UFX A 61 14.242 2.405 28.694 1.00 0.00 C +HETATM 724 O1 UFX A 61 14.372 3.804 28.931 1.00 0.00 O +HETATM 725 H1 UFX A 61 14.680 1.416 31.283 1.00 0.00 H +HETATM 726 H2 UFX A 61 13.842 2.972 31.420 1.00 0.00 H +HETATM 727 H3 UFX A 61 12.998 1.472 31.823 1.00 0.00 H +HETATM 728 H4 UFX A 61 13.115 0.732 29.454 1.00 0.00 H +HETATM 729 H5 UFX A 61 12.274 2.267 29.577 1.00 0.00 H +HETATM 730 H6 UFX A 61 13.886 2.240 27.677 1.00 0.00 H +HETATM 731 H7 UFX A 61 15.215 1.921 28.785 1.00 0.00 H +HETATM 732 H8 UFX A 61 13.497 4.247 28.967 1.00 0.00 H +HETATM 733 C1 UFX A 62 11.429 31.593 11.619 1.00 0.00 C +HETATM 734 C2 UFX A 62 12.326 31.561 12.867 1.00 0.00 C +HETATM 735 C3 UFX A 62 13.805 31.382 12.497 1.00 0.00 C +HETATM 736 O1 UFX A 62 14.004 30.125 11.857 1.00 0.00 O +HETATM 737 H1 UFX A 62 11.750 32.377 10.934 1.00 0.00 H +HETATM 738 H2 UFX A 62 11.464 30.637 11.095 1.00 0.00 H +HETATM 739 H3 UFX A 62 10.395 31.790 11.905 1.00 0.00 H +HETATM 740 H4 UFX A 62 12.208 32.495 13.416 1.00 0.00 H +HETATM 741 H5 UFX A 62 12.010 30.754 13.528 1.00 0.00 H +HETATM 742 H6 UFX A 62 14.418 31.433 13.397 1.00 0.00 H +HETATM 743 H7 UFX A 62 14.123 32.188 11.836 1.00 0.00 H +HETATM 744 H8 UFX A 62 13.769 29.375 12.444 1.00 0.00 H +HETATM 745 C1 UFX A 63 25.267 5.907 9.145 1.00 0.00 C +HETATM 746 C2 UFX A 63 25.275 7.113 8.189 1.00 0.00 C +HETATM 747 C3 UFX A 63 24.461 6.839 6.913 1.00 0.00 C +HETATM 748 O1 UFX A 63 25.030 5.738 6.202 1.00 0.00 O +HETATM 749 H1 UFX A 63 24.247 5.659 9.436 1.00 0.00 H +HETATM 750 H2 UFX A 63 25.717 5.035 8.670 1.00 0.00 H +HETATM 751 H3 UFX A 63 25.836 6.137 10.046 1.00 0.00 H +HETATM 752 H4 UFX A 63 24.850 7.976 8.702 1.00 0.00 H +HETATM 753 H5 UFX A 63 26.302 7.366 7.925 1.00 0.00 H +HETATM 754 H6 UFX A 63 24.459 7.726 6.279 1.00 0.00 H +HETATM 755 H7 UFX A 63 23.424 6.625 7.170 1.00 0.00 H +HETATM 756 H8 UFX A 63 25.986 5.870 6.024 1.00 0.00 H +HETATM 757 C1 UFX A 64 29.082 8.980 3.651 1.00 0.00 C +HETATM 758 C2 UFX A 64 27.921 7.974 3.716 1.00 0.00 C +HETATM 759 C3 UFX A 64 26.609 8.642 4.150 1.00 0.00 C +HETATM 760 O1 UFX A 64 26.727 9.141 5.484 1.00 0.00 O +HETATM 761 H1 UFX A 64 28.858 9.774 2.939 1.00 0.00 H +HETATM 762 H2 UFX A 64 29.264 9.425 4.629 1.00 0.00 H +HETATM 763 H3 UFX A 64 29.995 8.478 3.327 1.00 0.00 H +HETATM 764 H4 UFX A 64 27.782 7.527 2.732 1.00 0.00 H +HETATM 765 H5 UFX A 64 28.169 7.167 4.405 1.00 0.00 H +HETATM 766 H6 UFX A 64 25.796 7.918 4.096 1.00 0.00 H +HETATM 767 H7 UFX A 64 26.369 9.457 3.466 1.00 0.00 H +HETATM 768 H8 UFX A 64 27.063 8.455 6.099 1.00 0.00 H +HETATM 769 C1 UFX A 65 19.876 5.316 9.041 1.00 0.00 C +HETATM 770 C2 UFX A 65 18.913 5.938 10.066 1.00 0.00 C +HETATM 771 C3 UFX A 65 18.852 7.471 9.993 1.00 0.00 C +HETATM 772 O1 UFX A 65 20.155 8.041 10.076 1.00 0.00 O +HETATM 773 H1 UFX A 65 19.599 5.601 8.026 1.00 0.00 H +HETATM 774 H2 UFX A 65 20.902 5.631 9.228 1.00 0.00 H +HETATM 775 H3 UFX A 65 19.835 4.229 9.113 1.00 0.00 H +HETATM 776 H4 UFX A 65 17.914 5.536 9.897 1.00 0.00 H +HETATM 777 H5 UFX A 65 19.214 5.636 11.069 1.00 0.00 H +HETATM 778 H6 UFX A 65 18.236 7.840 10.813 1.00 0.00 H +HETATM 779 H7 UFX A 65 18.369 7.780 9.066 1.00 0.00 H +HETATM 780 H8 UFX A 65 20.609 7.801 10.912 1.00 0.00 H +HETATM 781 C1 UFX A 66 25.046 25.551 12.092 1.00 0.00 C +HETATM 782 C2 UFX A 66 24.904 27.060 12.353 1.00 0.00 C +HETATM 783 C3 UFX A 66 23.534 27.402 12.957 1.00 0.00 C +HETATM 784 O1 UFX A 66 22.513 27.256 11.973 1.00 0.00 O +HETATM 785 H1 UFX A 66 24.959 24.993 13.024 1.00 0.00 H +HETATM 786 H2 UFX A 66 24.274 25.200 11.408 1.00 0.00 H +HETATM 787 H3 UFX A 66 26.021 25.336 11.653 1.00 0.00 H +HETATM 788 H4 UFX A 66 25.685 27.373 13.047 1.00 0.00 H +HETATM 789 H5 UFX A 66 25.048 27.616 11.427 1.00 0.00 H +HETATM 790 H6 UFX A 66 23.539 28.430 13.320 1.00 0.00 H +HETATM 791 H7 UFX A 66 23.330 26.755 13.810 1.00 0.00 H +HETATM 792 H8 UFX A 66 22.568 27.957 11.288 1.00 0.00 H +HETATM 793 C1 UFX A 67 1.053 6.483 25.557 1.00 0.00 C +HETATM 794 C2 UFX A 67 0.522 7.514 26.567 1.00 0.00 C +HETATM 795 C3 UFX A 67 0.810 8.954 26.117 1.00 0.00 C +HETATM 796 O1 UFX A 67 2.217 9.173 26.039 1.00 0.00 O +HETATM 797 H1 UFX A 67 0.605 6.645 24.577 1.00 0.00 H +HETATM 798 H2 UFX A 67 2.137 6.559 25.462 1.00 0.00 H +HETATM 799 H3 UFX A 67 0.808 5.473 25.887 1.00 0.00 H +HETATM 800 H4 UFX A 67 -0.555 7.383 26.679 1.00 0.00 H +HETATM 801 H5 UFX A 67 0.969 7.339 27.546 1.00 0.00 H +HETATM 802 H6 UFX A 67 0.368 9.654 26.827 1.00 0.00 H +HETATM 803 H7 UFX A 67 0.353 9.137 25.145 1.00 0.00 H +HETATM 804 H8 UFX A 67 2.669 8.941 26.878 1.00 0.00 H +HETATM 805 C1 UFX A 68 5.002 32.876 12.358 1.00 0.00 C +HETATM 806 C2 UFX A 68 4.095 32.111 13.338 1.00 0.00 C +HETATM 807 C3 UFX A 68 4.882 31.599 14.553 1.00 0.00 C +HETATM 808 O1 UFX A 68 5.827 30.610 14.144 1.00 0.00 O +HETATM 809 H1 UFX A 68 5.469 33.726 12.857 1.00 0.00 H +HETATM 810 H2 UFX A 68 5.786 32.226 11.970 1.00 0.00 H +HETATM 811 H3 UFX A 68 4.419 33.251 11.517 1.00 0.00 H +HETATM 812 H4 UFX A 68 3.302 32.776 13.681 1.00 0.00 H +HETATM 813 H5 UFX A 68 3.617 31.275 12.827 1.00 0.00 H +HETATM 814 H6 UFX A 68 4.193 31.171 15.282 1.00 0.00 H +HETATM 815 H7 UFX A 68 5.395 32.429 15.039 1.00 0.00 H +HETATM 816 H8 UFX A 68 5.385 29.777 13.871 1.00 0.00 H +HETATM 817 C1 UFX A 69 20.581 14.432 1.326 1.00 0.00 C +HETATM 818 C2 UFX A 69 21.547 15.549 0.900 1.00 0.00 C +HETATM 819 C3 UFX A 69 22.889 14.980 0.417 1.00 0.00 C +HETATM 820 O1 UFX A 69 23.555 14.330 1.495 1.00 0.00 O +HETATM 821 H1 UFX A 69 20.392 13.753 0.494 1.00 0.00 H +HETATM 822 H2 UFX A 69 20.993 13.858 2.156 1.00 0.00 H +HETATM 823 H3 UFX A 69 19.631 14.860 1.648 1.00 0.00 H +HETATM 824 H4 UFX A 69 21.091 16.126 0.096 1.00 0.00 H +HETATM 825 H5 UFX A 69 21.713 16.230 1.735 1.00 0.00 H +HETATM 826 H6 UFX A 69 23.515 15.786 0.034 1.00 0.00 H +HETATM 827 H7 UFX A 69 22.724 14.274 -0.398 1.00 0.00 H +HETATM 828 H8 UFX A 69 23.728 14.944 2.241 1.00 0.00 H +HETATM 829 C1 UFX A 70 17.999 21.856 10.634 1.00 0.00 C +HETATM 830 C2 UFX A 70 17.797 23.274 10.074 1.00 0.00 C +HETATM 831 C3 UFX A 70 19.053 23.791 9.353 1.00 0.00 C +HETATM 832 O1 UFX A 70 20.161 23.858 10.247 1.00 0.00 O +HETATM 833 H1 UFX A 70 18.275 21.166 9.837 1.00 0.00 H +HETATM 834 H2 UFX A 70 18.783 21.853 11.391 1.00 0.00 H +HETATM 835 H3 UFX A 70 17.076 21.502 11.093 1.00 0.00 H +HETATM 836 H4 UFX A 70 16.961 23.267 9.374 1.00 0.00 H +HETATM 837 H5 UFX A 70 17.531 23.952 10.884 1.00 0.00 H +HETATM 838 H6 UFX A 70 18.859 24.781 8.940 1.00 0.00 H +HETATM 839 H7 UFX A 70 19.295 23.130 8.520 1.00 0.00 H +HETATM 840 H8 UFX A 70 20.042 24.551 10.930 1.00 0.00 H +HETATM 841 C1 UFX A 71 22.772 23.650 19.125 1.00 0.00 C +HETATM 842 C2 UFX A 71 24.124 23.478 18.417 1.00 0.00 C +HETATM 843 C3 UFX A 71 23.980 22.702 17.101 1.00 0.00 C +HETATM 844 O1 UFX A 71 23.553 21.368 17.358 1.00 0.00 O +HETATM 845 H1 UFX A 71 22.062 24.163 18.476 1.00 0.00 H +HETATM 846 H2 UFX A 71 22.357 22.679 19.394 1.00 0.00 H +HETATM 847 H3 UFX A 71 22.894 24.238 20.035 1.00 0.00 H +HETATM 848 H4 UFX A 71 24.541 24.463 18.208 1.00 0.00 H +HETATM 849 H5 UFX A 71 24.821 22.958 19.074 1.00 0.00 H +HETATM 850 H6 UFX A 71 24.935 22.683 16.577 1.00 0.00 H +HETATM 851 H7 UFX A 71 23.260 23.202 16.452 1.00 0.00 H +HETATM 852 H8 UFX A 71 24.248 20.838 17.805 1.00 0.00 H +HETATM 853 C1 UFX A 72 15.753 21.549 17.525 1.00 0.00 C +HETATM 854 C2 UFX A 72 15.793 20.334 18.468 1.00 0.00 C +HETATM 855 C3 UFX A 72 14.462 20.118 19.190 1.00 0.00 C +HETATM 856 O1 UFX A 72 14.179 21.232 20.023 1.00 0.00 O +HETATM 857 H1 UFX A 72 14.966 21.433 16.779 1.00 0.00 H +HETATM 858 H2 UFX A 72 15.569 22.466 18.086 1.00 0.00 H +HETATM 859 H3 UFX A 72 16.702 21.652 16.998 1.00 0.00 H +HETATM 860 H4 UFX A 72 16.027 19.439 17.892 1.00 0.00 H +HETATM 861 H5 UFX A 72 16.586 20.463 19.205 1.00 0.00 H +HETATM 862 H6 UFX A 72 14.511 19.214 19.796 1.00 0.00 H +HETATM 863 H7 UFX A 72 13.663 19.983 18.460 1.00 0.00 H +HETATM 864 H8 UFX A 72 14.778 21.273 20.799 1.00 0.00 H +HETATM 865 C1 UFX A 73 4.555 9.587 21.691 1.00 0.00 C +HETATM 866 C2 UFX A 73 3.636 9.085 20.564 1.00 0.00 C +HETATM 867 C3 UFX A 73 4.421 8.585 19.341 1.00 0.00 C +HETATM 868 O1 UFX A 73 5.249 9.622 18.816 1.00 0.00 O +HETATM 869 H1 UFX A 73 5.216 8.789 22.031 1.00 0.00 H +HETATM 870 H2 UFX A 73 5.163 10.427 21.353 1.00 0.00 H +HETATM 871 H3 UFX A 73 3.956 9.916 22.540 1.00 0.00 H +HETATM 872 H4 UFX A 73 3.016 8.273 20.945 1.00 0.00 H +HETATM 873 H5 UFX A 73 2.960 9.885 20.262 1.00 0.00 H +HETATM 874 H6 UFX A 73 3.721 8.253 18.574 1.00 0.00 H +HETATM 875 H7 UFX A 73 5.034 7.726 19.614 1.00 0.00 H +HETATM 876 H8 UFX A 73 4.769 10.474 18.747 1.00 0.00 H +HETATM 877 C1 UFX A 74 6.060 1.089 26.883 1.00 0.00 C +HETATM 878 C2 UFX A 74 7.020 -0.106 26.741 1.00 0.00 C +HETATM 879 C3 UFX A 74 8.043 -0.161 27.886 1.00 0.00 C +HETATM 880 O1 UFX A 74 8.885 0.989 27.859 1.00 0.00 O +HETATM 881 H1 UFX A 74 5.518 1.033 27.827 1.00 0.00 H +HETATM 882 H2 UFX A 74 6.607 2.031 26.852 1.00 0.00 H +HETATM 883 H3 UFX A 74 5.335 1.088 26.069 1.00 0.00 H +HETATM 884 H4 UFX A 74 6.441 -1.030 26.740 1.00 0.00 H +HETATM 885 H5 UFX A 74 7.539 -0.053 25.783 1.00 0.00 H +HETATM 886 H6 UFX A 74 8.652 -1.060 27.790 1.00 0.00 H +HETATM 887 H7 UFX A 74 7.525 -0.215 28.843 1.00 0.00 H +HETATM 888 H8 UFX A 74 9.404 1.047 27.028 1.00 0.00 H +HETATM 889 C1 UFX A 75 30.235 11.887 17.114 1.00 0.00 C +HETATM 890 C2 UFX A 75 31.092 11.586 18.353 1.00 0.00 C +HETATM 891 C3 UFX A 75 30.253 11.065 19.529 1.00 0.00 C +HETATM 892 O1 UFX A 75 29.276 12.031 19.913 1.00 0.00 O +HETATM 893 H1 UFX A 75 29.733 10.984 16.766 1.00 0.00 H +HETATM 894 H2 UFX A 75 29.481 12.642 17.335 1.00 0.00 H +HETATM 895 H3 UFX A 75 30.860 12.264 16.305 1.00 0.00 H +HETATM 896 H4 UFX A 75 31.845 10.842 18.094 1.00 0.00 H +HETATM 897 H5 UFX A 75 31.625 12.487 18.657 1.00 0.00 H +HETATM 898 H6 UFX A 75 30.908 10.856 20.374 1.00 0.00 H +HETATM 899 H7 UFX A 75 29.762 10.131 19.255 1.00 0.00 H +HETATM 900 H8 UFX A 75 29.671 12.919 20.047 1.00 0.00 H +HETATM 901 C1 UFX A 76 12.199 26.935 4.393 1.00 0.00 C +HETATM 902 C2 UFX A 76 11.378 26.524 3.159 1.00 0.00 C +HETATM 903 C3 UFX A 76 9.938 27.045 3.225 1.00 0.00 C +HETATM 904 O1 UFX A 76 9.289 26.566 4.403 1.00 0.00 O +HETATM 905 H1 UFX A 76 12.187 28.019 4.509 1.00 0.00 H +HETATM 906 H2 UFX A 76 11.792 26.486 5.299 1.00 0.00 H +HETATM 907 H3 UFX A 76 13.233 26.609 4.282 1.00 0.00 H +HETATM 908 H4 UFX A 76 11.852 26.925 2.263 1.00 0.00 H +HETATM 909 H5 UFX A 76 11.373 25.439 3.060 1.00 0.00 H +HETATM 910 H6 UFX A 76 9.393 26.712 2.341 1.00 0.00 H +HETATM 911 H7 UFX A 76 9.941 28.135 3.220 1.00 0.00 H +HETATM 912 H8 UFX A 76 9.484 25.617 4.559 1.00 0.00 H +HETATM 913 C1 UFX A 77 21.465 19.755 1.187 1.00 0.00 C +HETATM 914 C2 UFX A 77 22.883 19.268 0.838 1.00 0.00 C +HETATM 915 C3 UFX A 77 23.837 19.375 2.039 1.00 0.00 C +HETATM 916 O1 UFX A 77 24.056 20.748 2.369 1.00 0.00 O +HETATM 917 H1 UFX A 77 21.041 19.150 1.988 1.00 0.00 H +HETATM 918 H2 UFX A 77 21.483 20.797 1.509 1.00 0.00 H +HETATM 919 H3 UFX A 77 20.814 19.676 0.316 1.00 0.00 H +HETATM 920 H4 UFX A 77 22.831 18.228 0.514 1.00 0.00 H +HETATM 921 H5 UFX A 77 23.278 19.846 0.002 1.00 0.00 H +HETATM 922 H6 UFX A 77 24.788 18.903 1.793 1.00 0.00 H +HETATM 923 H7 UFX A 77 23.421 18.843 2.895 1.00 0.00 H +HETATM 924 H8 UFX A 77 24.414 21.252 1.608 1.00 0.00 H +HETATM 925 C1 UFX A 78 27.808 28.335 0.520 1.00 0.00 C +HETATM 926 C2 UFX A 78 28.542 29.248 1.518 1.00 0.00 C +HETATM 927 C3 UFX A 78 27.991 29.091 2.945 1.00 0.00 C +HETATM 928 O1 UFX A 78 26.619 29.473 2.994 1.00 0.00 O +HETATM 929 H1 UFX A 78 27.876 27.294 0.835 1.00 0.00 H +HETATM 930 H2 UFX A 78 26.756 28.610 0.447 1.00 0.00 H +HETATM 931 H3 UFX A 78 28.255 28.425 -0.471 1.00 0.00 H +HETATM 932 H4 UFX A 78 29.602 28.996 1.519 1.00 0.00 H +HETATM 933 H5 UFX A 78 28.456 30.288 1.200 1.00 0.00 H +HETATM 934 H6 UFX A 78 28.571 29.709 3.632 1.00 0.00 H +HETATM 935 H7 UFX A 78 28.097 28.055 3.267 1.00 0.00 H +HETATM 936 H8 UFX A 78 26.484 30.395 2.686 1.00 0.00 H +HETATM 937 C1 UFX A 79 31.589 8.858 25.663 1.00 0.00 C +HETATM 938 C2 UFX A 79 31.243 10.002 24.701 1.00 0.00 C +HETATM 939 C3 UFX A 79 31.801 9.762 23.292 1.00 0.00 C +HETATM 940 O1 UFX A 79 33.219 9.618 23.322 1.00 0.00 O +HETATM 941 H1 UFX A 79 31.208 7.909 25.286 1.00 0.00 H +HETATM 942 H2 UFX A 79 32.668 8.781 25.793 1.00 0.00 H +HETATM 943 H3 UFX A 79 31.139 9.050 26.638 1.00 0.00 H +HETATM 944 H4 UFX A 79 30.158 10.100 24.643 1.00 0.00 H +HETATM 945 H5 UFX A 79 31.633 10.941 25.094 1.00 0.00 H +HETATM 946 H6 UFX A 79 31.533 10.599 22.647 1.00 0.00 H +HETATM 947 H7 UFX A 79 31.354 8.863 22.867 1.00 0.00 H +HETATM 948 H8 UFX A 79 33.660 10.389 23.738 1.00 0.00 H +HETATM 949 C1 UFX A 80 23.084 18.040 18.579 1.00 0.00 C +HETATM 950 C2 UFX A 80 24.475 17.725 19.144 1.00 0.00 C +HETATM 951 C3 UFX A 80 25.257 19.000 19.492 1.00 0.00 C +HETATM 952 O1 UFX A 80 25.489 19.769 18.316 1.00 0.00 O +HETATM 953 H1 UFX A 80 22.511 18.630 19.294 1.00 0.00 H +HETATM 954 H2 UFX A 80 23.161 18.599 17.646 1.00 0.00 H +HETATM 955 H3 UFX A 80 22.541 17.117 18.378 1.00 0.00 H +HETATM 956 H4 UFX A 80 24.365 17.119 20.043 1.00 0.00 H +HETATM 957 H5 UFX A 80 25.040 17.135 18.422 1.00 0.00 H +HETATM 958 H6 UFX A 80 26.212 18.728 19.942 1.00 0.00 H +HETATM 959 H7 UFX A 80 24.705 19.593 20.221 1.00 0.00 H +HETATM 960 H8 UFX A 80 25.864 19.222 17.594 1.00 0.00 H +HETATM 961 C1 UFX A 81 17.543 26.556 0.719 1.00 0.00 C +HETATM 962 C2 UFX A 81 17.551 28.093 0.780 1.00 0.00 C +HETATM 963 C3 UFX A 81 16.172 28.659 1.150 1.00 0.00 C +HETATM 964 O1 UFX A 81 15.233 28.378 0.117 1.00 0.00 O +HETATM 965 H1 UFX A 81 17.233 26.136 1.676 1.00 0.00 H +HETATM 966 H2 UFX A 81 16.860 26.204 -0.055 1.00 0.00 H +HETATM 967 H3 UFX A 81 18.541 26.183 0.487 1.00 0.00 H +HETATM 968 H4 UFX A 81 18.279 28.415 1.525 1.00 0.00 H +HETATM 969 H5 UFX A 81 17.872 28.499 -0.179 1.00 0.00 H +HETATM 970 H6 UFX A 81 16.246 29.737 1.292 1.00 0.00 H +HETATM 971 H7 UFX A 81 15.831 28.225 2.090 1.00 0.00 H +HETATM 972 H8 UFX A 81 15.537 28.715 -0.754 1.00 0.00 H +HETATM 973 C1 UFX A 82 9.289 15.092 11.154 1.00 0.00 C +HETATM 974 C2 UFX A 82 10.433 16.115 11.059 1.00 0.00 C +HETATM 975 C3 UFX A 82 10.436 17.103 12.233 1.00 0.00 C +HETATM 976 O1 UFX A 82 9.203 17.814 12.312 1.00 0.00 O +HETATM 977 H1 UFX A 82 9.363 14.522 12.080 1.00 0.00 H +HETATM 978 H2 UFX A 82 8.320 15.591 11.129 1.00 0.00 H +HETATM 979 H3 UFX A 82 9.338 14.396 10.316 1.00 0.00 H +HETATM 980 H4 UFX A 82 11.385 15.584 11.043 1.00 0.00 H +HETATM 981 H5 UFX A 82 10.356 16.662 10.119 1.00 0.00 H +HETATM 982 H6 UFX A 82 11.258 17.808 12.107 1.00 0.00 H +HETATM 983 H7 UFX A 82 10.605 16.567 13.167 1.00 0.00 H +HETATM 984 H8 UFX A 82 9.020 18.321 11.493 1.00 0.00 H +HETATM 985 C1 UFX A 83 14.623 9.665 10.869 1.00 0.00 C +HETATM 986 C2 UFX A 83 15.304 10.857 10.177 1.00 0.00 C +HETATM 987 C3 UFX A 83 15.277 12.114 11.058 1.00 0.00 C +HETATM 988 O1 UFX A 83 13.937 12.530 11.317 1.00 0.00 O +HETATM 989 H1 UFX A 83 15.127 9.431 11.806 1.00 0.00 H +HETATM 990 H2 UFX A 83 13.578 9.893 11.084 1.00 0.00 H +HETATM 991 H3 UFX A 83 14.655 8.786 10.225 1.00 0.00 H +HETATM 992 H4 UFX A 83 16.340 10.599 9.955 1.00 0.00 H +HETATM 993 H5 UFX A 83 14.815 11.063 9.225 1.00 0.00 H +HETATM 994 H6 UFX A 83 15.820 12.919 10.562 1.00 0.00 H +HETATM 995 H7 UFX A 83 15.784 11.911 12.002 1.00 0.00 H +HETATM 996 H8 UFX A 83 13.457 12.781 10.499 1.00 0.00 H +HETATM 997 C1 UFX A 84 23.035 23.883 27.033 1.00 0.00 C +HETATM 998 C2 UFX A 84 23.802 25.065 26.420 1.00 0.00 C +HETATM 999 C3 UFX A 84 23.958 24.919 24.900 1.00 0.00 C +HETATM 1000 O1 UFX A 84 24.755 23.778 24.581 1.00 0.00 O +HETATM 1001 H1 UFX A 84 22.049 23.790 26.576 1.00 0.00 H +HETATM 1002 H2 UFX A 84 23.581 22.952 26.879 1.00 0.00 H +HETATM 1003 H3 UFX A 84 22.906 24.034 28.105 1.00 0.00 H +HETATM 1004 H4 UFX A 84 23.255 25.984 26.629 1.00 0.00 H +HETATM 1005 H5 UFX A 84 24.784 25.156 26.885 1.00 0.00 H +HETATM 1006 H6 UFX A 84 24.434 25.814 24.497 1.00 0.00 H +HETATM 1007 H7 UFX A 84 22.975 24.834 24.438 1.00 0.00 H +HETATM 1008 H8 UFX A 84 25.679 23.890 24.890 1.00 0.00 H +HETATM 1009 C1 UFX A 85 30.901 3.407 28.292 1.00 0.00 C +HETATM 1010 C2 UFX A 85 30.386 3.588 26.854 1.00 0.00 C +HETATM 1011 C3 UFX A 85 28.878 3.321 26.754 1.00 0.00 C +HETATM 1012 O1 UFX A 85 28.592 1.971 27.118 1.00 0.00 O +HETATM 1013 H1 UFX A 85 30.357 4.057 28.977 1.00 0.00 H +HETATM 1014 H2 UFX A 85 30.774 2.375 28.621 1.00 0.00 H +HETATM 1015 H3 UFX A 85 31.961 3.654 28.346 1.00 0.00 H +HETATM 1016 H4 UFX A 85 30.589 4.607 26.526 1.00 0.00 H +HETATM 1017 H5 UFX A 85 30.924 2.916 26.185 1.00 0.00 H +HETATM 1018 H6 UFX A 85 28.534 3.507 25.736 1.00 0.00 H +HETATM 1019 H7 UFX A 85 28.341 4.006 27.409 1.00 0.00 H +HETATM 1020 H8 UFX A 85 28.988 1.332 26.488 1.00 0.00 H +HETATM 1021 C1 UFX A 86 25.229 26.114 21.444 1.00 0.00 C +HETATM 1022 C2 UFX A 86 24.568 27.492 21.262 1.00 0.00 C +HETATM 1023 C3 UFX A 86 23.746 27.905 22.493 1.00 0.00 C +HETATM 1024 O1 UFX A 86 22.676 26.987 22.706 1.00 0.00 O +HETATM 1025 H1 UFX A 86 25.896 26.120 22.307 1.00 0.00 H +HETATM 1026 H2 UFX A 86 24.477 25.339 21.596 1.00 0.00 H +HETATM 1027 H3 UFX A 86 25.812 25.857 20.560 1.00 0.00 H +HETATM 1028 H4 UFX A 86 25.343 28.239 21.085 1.00 0.00 H +HETATM 1029 H5 UFX A 86 23.924 27.477 20.383 1.00 0.00 H +HETATM 1030 H6 UFX A 86 23.344 28.907 22.344 1.00 0.00 H +HETATM 1031 H7 UFX A 86 24.387 27.938 23.375 1.00 0.00 H +HETATM 1032 H8 UFX A 86 22.040 26.987 21.959 1.00 0.00 H +HETATM 1033 C1 UFX A 87 13.796 24.525 9.292 1.00 0.00 C +HETATM 1034 C2 UFX A 87 12.823 23.434 9.774 1.00 0.00 C +HETATM 1035 C3 UFX A 87 13.557 22.295 10.500 1.00 0.00 C +HETATM 1036 O1 UFX A 87 14.476 21.660 9.617 1.00 0.00 O +HETATM 1037 H1 UFX A 87 14.340 24.952 10.134 1.00 0.00 H +HETATM 1038 H2 UFX A 87 14.520 24.109 8.591 1.00 0.00 H +HETATM 1039 H3 UFX A 87 13.249 25.323 8.789 1.00 0.00 H +HETATM 1040 H4 UFX A 87 12.090 23.876 10.450 1.00 0.00 H +HETATM 1041 H5 UFX A 87 12.272 23.029 8.925 1.00 0.00 H +HETATM 1042 H6 UFX A 87 12.834 21.562 10.859 1.00 0.00 H +HETATM 1043 H7 UFX A 87 14.089 22.686 11.368 1.00 0.00 H +HETATM 1044 H8 UFX A 87 14.032 21.329 8.807 1.00 0.00 H +HETATM 1045 C1 UFX A 88 26.456 11.886 23.282 1.00 0.00 C +HETATM 1046 C2 UFX A 88 25.232 11.959 24.209 1.00 0.00 C +HETATM 1047 C3 UFX A 88 25.034 10.663 25.011 1.00 0.00 C +HETATM 1048 O1 UFX A 88 25.016 9.521 24.157 1.00 0.00 O +HETATM 1049 H1 UFX A 88 27.347 11.619 23.850 1.00 0.00 H +HETATM 1050 H2 UFX A 88 26.303 11.143 22.498 1.00 0.00 H +HETATM 1051 H3 UFX A 88 26.623 12.851 22.804 1.00 0.00 H +HETATM 1052 H4 UFX A 88 25.357 12.791 24.902 1.00 0.00 H +HETATM 1053 H5 UFX A 88 24.339 12.170 23.619 1.00 0.00 H +HETATM 1054 H6 UFX A 88 24.099 10.716 25.570 1.00 0.00 H +HETATM 1055 H7 UFX A 88 25.842 10.563 25.736 1.00 0.00 H +HETATM 1056 H8 UFX A 88 24.378 9.627 23.419 1.00 0.00 H +HETATM 1057 C1 UFX A 89 8.938 26.032 14.687 1.00 0.00 C +HETATM 1058 C2 UFX A 89 9.230 24.566 14.321 1.00 0.00 C +HETATM 1059 C3 UFX A 89 8.750 23.597 15.406 1.00 0.00 C +HETATM 1060 O1 UFX A 89 9.425 23.854 16.633 1.00 0.00 O +HETATM 1061 H1 UFX A 89 7.878 26.166 14.902 1.00 0.00 H +HETATM 1062 H2 UFX A 89 9.512 26.332 15.563 1.00 0.00 H +HETATM 1063 H3 UFX A 89 9.206 26.689 13.859 1.00 0.00 H +HETATM 1064 H4 UFX A 89 8.721 24.319 13.389 1.00 0.00 H +HETATM 1065 H5 UFX A 89 10.299 24.432 14.153 1.00 0.00 H +HETATM 1066 H6 UFX A 89 8.943 22.572 15.087 1.00 0.00 H +HETATM 1067 H7 UFX A 89 7.675 23.702 15.550 1.00 0.00 H +HETATM 1068 H8 UFX A 89 10.391 23.957 16.501 1.00 0.00 H +HETATM 1069 C1 UFX A 90 6.569 10.392 33.528 1.00 0.00 C +HETATM 1070 C2 UFX A 90 5.618 9.591 32.623 1.00 0.00 C +HETATM 1071 C3 UFX A 90 5.434 8.154 33.128 1.00 0.00 C +HETATM 1072 O1 UFX A 90 6.659 7.436 33.007 1.00 0.00 O +HETATM 1073 H1 UFX A 90 6.168 10.454 34.540 1.00 0.00 H +HETATM 1074 H2 UFX A 90 7.553 9.924 33.572 1.00 0.00 H +HETATM 1075 H3 UFX A 90 6.688 11.405 33.143 1.00 0.00 H +HETATM 1076 H4 UFX A 90 4.648 10.087 32.603 1.00 0.00 H +HETATM 1077 H5 UFX A 90 6.000 9.576 31.602 1.00 0.00 H +HETATM 1078 H6 UFX A 90 4.661 7.655 32.543 1.00 0.00 H +HETATM 1079 H7 UFX A 90 5.105 8.161 34.167 1.00 0.00 H +HETATM 1080 H8 UFX A 90 6.977 7.410 32.079 1.00 0.00 H +HETATM 1081 C1 UFX A 91 17.797 12.111 0.826 1.00 0.00 C +HETATM 1082 C2 UFX A 91 17.677 11.998 2.356 1.00 0.00 C +HETATM 1083 C3 UFX A 91 17.609 10.535 2.819 1.00 0.00 C +HETATM 1084 O1 UFX A 91 16.474 9.891 2.245 1.00 0.00 O +HETATM 1085 H1 UFX A 91 18.688 11.590 0.477 1.00 0.00 H +HETATM 1086 H2 UFX A 91 16.924 11.674 0.339 1.00 0.00 H +HETATM 1087 H3 UFX A 91 17.866 13.158 0.530 1.00 0.00 H +HETATM 1088 H4 UFX A 91 18.537 12.481 2.821 1.00 0.00 H +HETATM 1089 H5 UFX A 91 16.788 12.530 2.696 1.00 0.00 H +HETATM 1090 H6 UFX A 91 17.539 10.500 3.906 1.00 0.00 H +HETATM 1091 H7 UFX A 91 18.519 10.009 2.529 1.00 0.00 H +HETATM 1092 H8 UFX A 91 15.642 10.370 2.451 1.00 0.00 H +HETATM 1093 C1 UFX A 92 30.713 2.871 15.924 1.00 0.00 C +HETATM 1094 C2 UFX A 92 29.760 1.679 16.118 1.00 0.00 C +HETATM 1095 C3 UFX A 92 29.183 1.183 14.787 1.00 0.00 C +HETATM 1096 O1 UFX A 92 28.416 2.213 14.173 1.00 0.00 O +HETATM 1097 H1 UFX A 92 31.540 2.595 15.270 1.00 0.00 H +HETATM 1098 H2 UFX A 92 30.185 3.714 15.477 1.00 0.00 H +HETATM 1099 H3 UFX A 92 31.119 3.188 16.884 1.00 0.00 H +HETATM 1100 H4 UFX A 92 30.299 0.863 16.602 1.00 0.00 H +HETATM 1101 H5 UFX A 92 28.941 1.964 16.778 1.00 0.00 H +HETATM 1102 H6 UFX A 92 28.551 0.313 14.963 1.00 0.00 H +HETATM 1103 H7 UFX A 92 29.993 0.877 14.124 1.00 0.00 H +HETATM 1104 H8 UFX A 92 27.714 2.550 14.770 1.00 0.00 H +HETATM 1105 C1 UFX A 93 28.992 3.889 7.825 1.00 0.00 C +HETATM 1106 C2 UFX A 93 28.017 3.254 6.820 1.00 0.00 C +HETATM 1107 C3 UFX A 93 27.088 2.226 7.483 1.00 0.00 C +HETATM 1108 O1 UFX A 93 27.836 1.162 8.064 1.00 0.00 O +HETATM 1109 H1 UFX A 93 28.448 4.341 8.655 1.00 0.00 H +HETATM 1110 H2 UFX A 93 29.676 3.138 8.221 1.00 0.00 H +HETATM 1111 H3 UFX A 93 29.585 4.662 7.338 1.00 0.00 H +HETATM 1112 H4 UFX A 93 27.409 4.039 6.369 1.00 0.00 H +HETATM 1113 H5 UFX A 93 28.577 2.779 6.014 1.00 0.00 H +HETATM 1114 H6 UFX A 93 26.409 1.820 6.733 1.00 0.00 H +HETATM 1115 H7 UFX A 93 26.484 2.712 8.250 1.00 0.00 H +HETATM 1116 H8 UFX A 93 28.426 0.731 7.410 1.00 0.00 H +HETATM 1117 C1 UFX A 94 17.569 17.241 27.246 1.00 0.00 C +HETATM 1118 C2 UFX A 94 18.274 17.127 25.885 1.00 0.00 C +HETATM 1119 C3 UFX A 94 19.710 16.604 26.029 1.00 0.00 C +HETATM 1120 O1 UFX A 94 20.507 17.537 26.759 1.00 0.00 O +HETATM 1121 H1 UFX A 94 17.549 16.275 27.749 1.00 0.00 H +HETATM 1122 H2 UFX A 94 18.084 17.957 27.887 1.00 0.00 H +HETATM 1123 H3 UFX A 94 16.541 17.579 27.109 1.00 0.00 H +HETATM 1124 H4 UFX A 94 17.710 16.445 25.248 1.00 0.00 H +HETATM 1125 H5 UFX A 94 18.283 18.097 25.388 1.00 0.00 H +HETATM 1126 H6 UFX A 94 20.143 16.449 25.041 1.00 0.00 H +HETATM 1127 H7 UFX A 94 19.700 15.641 26.539 1.00 0.00 H +HETATM 1128 H8 UFX A 94 20.505 18.422 26.335 1.00 0.00 H +HETATM 1129 C1 UFX A 95 5.014 10.319 8.210 1.00 0.00 C +HETATM 1130 C2 UFX A 95 6.302 11.145 8.390 1.00 0.00 C +HETATM 1131 C3 UFX A 95 6.044 12.642 8.160 1.00 0.00 C +HETATM 1132 O1 UFX A 95 5.659 12.873 6.807 1.00 0.00 O +HETATM 1133 H1 UFX A 95 4.250 10.648 8.915 1.00 0.00 H +HETATM 1134 H2 UFX A 95 4.622 10.431 7.199 1.00 0.00 H +HETATM 1135 H3 UFX A 95 5.207 9.260 8.384 1.00 0.00 H +HETATM 1136 H4 UFX A 95 6.681 11.006 9.403 1.00 0.00 H +HETATM 1137 H5 UFX A 95 7.071 10.794 7.702 1.00 0.00 H +HETATM 1138 H6 UFX A 95 6.945 13.213 8.388 1.00 0.00 H +HETATM 1139 H7 UFX A 95 5.258 12.988 8.832 1.00 0.00 H +HETATM 1140 H8 UFX A 95 6.400 12.718 6.184 1.00 0.00 H +HETATM 1141 C1 UFX A 96 23.371 31.866 19.374 1.00 0.00 C +HETATM 1142 C2 UFX A 96 22.450 32.818 20.155 1.00 0.00 C +HETATM 1143 C3 UFX A 96 22.637 32.667 21.672 1.00 0.00 C +HETATM 1144 O1 UFX A 96 22.258 31.357 22.079 1.00 0.00 O +HETATM 1145 H1 UFX A 96 24.416 32.081 19.598 1.00 0.00 H +HETATM 1146 H2 UFX A 96 23.165 30.828 19.635 1.00 0.00 H +HETATM 1147 H3 UFX A 96 23.216 31.986 18.301 1.00 0.00 H +HETATM 1148 H4 UFX A 96 22.669 33.847 19.868 1.00 0.00 H +HETATM 1149 H5 UFX A 96 21.410 32.622 19.895 1.00 0.00 H +HETATM 1150 H6 UFX A 96 22.021 33.402 22.192 1.00 0.00 H +HETATM 1151 H7 UFX A 96 23.676 32.858 21.942 1.00 0.00 H +HETATM 1152 H8 UFX A 96 21.314 31.179 21.878 1.00 0.00 H +HETATM 1153 C1 UFX A 97 19.473 14.543 29.455 1.00 0.00 C +HETATM 1154 C2 UFX A 97 19.850 15.892 30.085 1.00 0.00 C +HETATM 1155 C3 UFX A 97 19.009 16.189 31.334 1.00 0.00 C +HETATM 1156 O1 UFX A 97 17.636 16.330 30.972 1.00 0.00 O +HETATM 1157 H1 UFX A 97 19.655 13.736 30.165 1.00 0.00 H +HETATM 1158 H2 UFX A 97 18.420 14.523 29.172 1.00 0.00 H +HETATM 1159 H3 UFX A 97 20.073 14.360 28.564 1.00 0.00 H +HETATM 1160 H4 UFX A 97 20.905 15.872 30.358 1.00 0.00 H +HETATM 1161 H5 UFX A 97 19.723 16.690 29.354 1.00 0.00 H +HETATM 1162 H6 UFX A 97 19.359 17.108 31.804 1.00 0.00 H +HETATM 1163 H7 UFX A 97 19.122 15.383 32.060 1.00 0.00 H +HETATM 1164 H8 UFX A 97 17.504 17.049 30.318 1.00 0.00 H +HETATM 1165 C1 UFX A 98 27.842 20.795 15.749 1.00 0.00 C +HETATM 1166 C2 UFX A 98 27.225 19.889 14.666 1.00 0.00 C +HETATM 1167 C3 UFX A 98 25.983 19.146 15.184 1.00 0.00 C +HETATM 1168 O1 UFX A 98 26.350 18.254 16.238 1.00 0.00 O +HETATM 1169 H1 UFX A 98 27.115 21.530 16.096 1.00 0.00 H +HETATM 1170 H2 UFX A 98 28.179 20.207 16.603 1.00 0.00 H +HETATM 1171 H3 UFX A 98 28.700 21.333 15.345 1.00 0.00 H +HETATM 1172 H4 UFX A 98 26.942 20.500 13.809 1.00 0.00 H +HETATM 1173 H5 UFX A 98 27.966 19.166 14.324 1.00 0.00 H +HETATM 1174 H6 UFX A 98 25.528 18.582 14.370 1.00 0.00 H +HETATM 1175 H7 UFX A 98 25.240 19.862 15.537 1.00 0.00 H +HETATM 1176 H8 UFX A 98 26.929 17.533 15.910 1.00 0.00 H +HETATM 1177 C1 UFX A 99 21.387 12.684 25.568 1.00 0.00 C +HETATM 1178 C2 UFX A 99 22.352 13.754 26.098 1.00 0.00 C +HETATM 1179 C3 UFX A 99 23.148 13.295 27.329 1.00 0.00 C +HETATM 1180 O1 UFX A 99 22.285 12.837 28.368 1.00 0.00 O +HETATM 1181 H1 UFX A 99 21.908 11.740 25.407 1.00 0.00 H +HETATM 1182 H2 UFX A 99 20.573 12.521 26.274 1.00 0.00 H +HETATM 1183 H3 UFX A 99 20.949 13.010 24.625 1.00 0.00 H +HETATM 1184 H4 UFX A 99 23.053 14.030 25.310 1.00 0.00 H +HETATM 1185 H5 UFX A 99 21.790 14.654 26.348 1.00 0.00 H +HETATM 1186 H6 UFX A 99 23.743 14.132 27.695 1.00 0.00 H +HETATM 1187 H7 UFX A 99 23.839 12.499 27.054 1.00 0.00 H +HETATM 1188 H8 UFX A 99 22.773 12.725 29.211 1.00 0.00 H +HETATM 1189 C1 UFX A 100 13.603 19.462 14.373 1.00 0.00 C +HETATM 1190 C2 UFX A 100 12.184 19.368 14.961 1.00 0.00 C +HETATM 1191 C3 UFX A 100 11.614 20.748 15.316 1.00 0.00 C +HETATM 1192 O1 UFX A 100 12.367 21.337 16.375 1.00 0.00 O +HETATM 1193 H1 UFX A 100 13.610 20.098 13.487 1.00 0.00 H +HETATM 1194 H2 UFX A 100 14.298 19.875 15.105 1.00 0.00 H +HETATM 1195 H3 UFX A 100 13.959 18.472 14.088 1.00 0.00 H +HETATM 1196 H4 UFX A 100 11.527 18.896 14.230 1.00 0.00 H +HETATM 1197 H5 UFX A 100 12.189 18.733 15.847 1.00 0.00 H +HETATM 1198 H6 UFX A 100 10.572 20.643 15.619 1.00 0.00 H +HETATM 1199 H7 UFX A 100 11.634 21.399 14.441 1.00 0.00 H +HETATM 1200 H8 UFX A 100 12.427 20.742 17.152 1.00 0.00 H +HETATM 1201 C1 UFX A 101 24.205 1.373 21.383 1.00 0.00 C +HETATM 1202 C2 UFX A 101 25.064 0.983 20.174 1.00 0.00 C +HETATM 1203 C3 UFX A 101 26.082 -0.114 20.516 1.00 0.00 C +HETATM 1204 O1 UFX A 101 26.975 0.309 21.547 1.00 0.00 O +HETATM 1205 H1 UFX A 101 23.749 0.491 21.832 1.00 0.00 H +HETATM 1206 H2 UFX A 101 24.813 1.877 22.135 1.00 0.00 H +HETATM 1207 H3 UFX A 101 23.411 2.054 21.074 1.00 0.00 H +HETATM 1208 H4 UFX A 101 24.414 0.623 19.377 1.00 0.00 H +HETATM 1209 H5 UFX A 101 25.577 1.867 19.794 1.00 0.00 H +HETATM 1210 H6 UFX A 101 26.651 -0.371 19.622 1.00 0.00 H +HETATM 1211 H7 UFX A 101 25.552 -1.012 20.835 1.00 0.00 H +HETATM 1212 H8 UFX A 101 27.407 1.161 21.324 1.00 0.00 H +HETATM 1213 C1 UFX A 102 18.212 0.446 18.988 1.00 0.00 C +HETATM 1214 C2 UFX A 102 16.699 0.683 19.134 1.00 0.00 C +HETATM 1215 C3 UFX A 102 16.289 0.856 20.604 1.00 0.00 C +HETATM 1216 O1 UFX A 102 16.483 -0.362 21.320 1.00 0.00 O +HETATM 1217 H1 UFX A 102 18.771 1.280 19.413 1.00 0.00 H +HETATM 1218 H2 UFX A 102 18.509 -0.472 19.496 1.00 0.00 H +HETATM 1219 H3 UFX A 102 18.479 0.355 17.935 1.00 0.00 H +HETATM 1220 H4 UFX A 102 16.425 1.581 18.581 1.00 0.00 H +HETATM 1221 H5 UFX A 102 16.148 -0.150 18.696 1.00 0.00 H +HETATM 1222 H6 UFX A 102 15.239 1.146 20.659 1.00 0.00 H +HETATM 1223 H7 UFX A 102 16.871 1.656 21.061 1.00 0.00 H +HETATM 1224 H8 UFX A 102 15.899 -1.078 20.991 1.00 0.00 H +HETATM 1225 C1 UFX A 103 13.751 6.847 27.379 1.00 0.00 C +HETATM 1226 C2 UFX A 103 12.749 7.331 28.438 1.00 0.00 C +HETATM 1227 C3 UFX A 103 12.591 6.328 29.585 1.00 0.00 C +HETATM 1228 O1 UFX A 103 11.988 5.130 29.092 1.00 0.00 O +HETATM 1229 H1 UFX A 103 14.739 6.723 27.823 1.00 0.00 H +HETATM 1230 H2 UFX A 103 13.439 5.893 26.954 1.00 0.00 H +HETATM 1231 H3 UFX A 103 13.825 7.576 26.572 1.00 0.00 H +HETATM 1232 H4 UFX A 103 13.093 8.282 28.844 1.00 0.00 H +HETATM 1233 H5 UFX A 103 11.778 7.499 27.972 1.00 0.00 H +HETATM 1234 H6 UFX A 103 11.967 6.762 30.366 1.00 0.00 H +HETATM 1235 H7 UFX A 103 13.562 6.111 30.031 1.00 0.00 H +HETATM 1236 H8 UFX A 103 11.130 5.311 28.652 1.00 0.00 H +HETATM 1237 C1 UFX A 104 29.480 6.477 16.274 1.00 0.00 C +HETATM 1238 C2 UFX A 104 29.231 7.810 16.996 1.00 0.00 C +HETATM 1239 C3 UFX A 104 27.995 8.538 16.443 1.00 0.00 C +HETATM 1240 O1 UFX A 104 28.148 8.786 15.046 1.00 0.00 O +HETATM 1241 H1 UFX A 104 28.598 5.839 16.334 1.00 0.00 H +HETATM 1242 H2 UFX A 104 29.710 6.648 15.222 1.00 0.00 H +HETATM 1243 H3 UFX A 104 30.322 5.953 16.728 1.00 0.00 H +HETATM 1244 H4 UFX A 104 29.081 7.619 18.059 1.00 0.00 H +HETATM 1245 H5 UFX A 104 30.108 8.449 16.902 1.00 0.00 H +HETATM 1246 H6 UFX A 104 27.860 9.480 16.973 1.00 0.00 H +HETATM 1247 H7 UFX A 104 27.101 7.938 16.615 1.00 0.00 H +HETATM 1248 H8 UFX A 104 28.998 9.234 14.845 1.00 0.00 H +HETATM 1249 C1 UFX A 105 11.164 3.554 25.837 1.00 0.00 C +HETATM 1250 C2 UFX A 105 9.649 3.794 25.762 1.00 0.00 C +HETATM 1251 C3 UFX A 105 8.956 2.759 24.865 1.00 0.00 C +HETATM 1252 O1 UFX A 105 9.349 2.937 23.510 1.00 0.00 O +HETATM 1253 H1 UFX A 105 11.377 2.578 26.275 1.00 0.00 H +HETATM 1254 H2 UFX A 105 11.610 3.594 24.843 1.00 0.00 H +HETATM 1255 H3 UFX A 105 11.635 4.319 26.455 1.00 0.00 H +HETATM 1256 H4 UFX A 105 9.229 3.741 26.767 1.00 0.00 H +HETATM 1257 H5 UFX A 105 9.453 4.796 25.380 1.00 0.00 H +HETATM 1258 H6 UFX A 105 7.874 2.869 24.944 1.00 0.00 H +HETATM 1259 H7 UFX A 105 9.210 1.751 25.191 1.00 0.00 H +HETATM 1260 H8 UFX A 105 8.972 3.761 23.133 1.00 0.00 H +HETATM 1261 C1 UFX A 106 3.560 20.141 29.661 1.00 0.00 C +HETATM 1262 C2 UFX A 106 3.083 21.286 28.752 1.00 0.00 C +HETATM 1263 C3 UFX A 106 1.653 21.053 28.238 1.00 0.00 C +HETATM 1264 O1 UFX A 106 1.592 19.868 27.448 1.00 0.00 O +HETATM 1265 H1 UFX A 106 2.908 20.045 30.530 1.00 0.00 H +HETATM 1266 H2 UFX A 106 3.558 19.195 29.119 1.00 0.00 H +HETATM 1267 H3 UFX A 106 4.574 20.335 30.008 1.00 0.00 H +HETATM 1268 H4 UFX A 106 3.115 22.222 29.311 1.00 0.00 H +HETATM 1269 H5 UFX A 106 3.766 21.394 27.909 1.00 0.00 H +HETATM 1270 H6 UFX A 106 1.339 21.908 27.639 1.00 0.00 H +HETATM 1271 H7 UFX A 106 0.963 20.971 29.079 1.00 0.00 H +HETATM 1272 H8 UFX A 106 2.276 19.865 26.745 1.00 0.00 H +HETATM 1273 C1 UFX A 107 1.741 29.909 10.264 1.00 0.00 C +HETATM 1274 C2 UFX A 107 0.427 29.749 11.050 1.00 0.00 C +HETATM 1275 C3 UFX A 107 0.494 28.604 12.070 1.00 0.00 C +HETATM 1276 O1 UFX A 107 0.818 27.377 11.423 1.00 0.00 O +HETATM 1277 H1 UFX A 107 2.576 30.079 10.943 1.00 0.00 H +HETATM 1278 H2 UFX A 107 1.947 29.017 9.673 1.00 0.00 H +HETATM 1279 H3 UFX A 107 1.670 30.758 9.583 1.00 0.00 H +HETATM 1280 H4 UFX A 107 0.205 30.680 11.573 1.00 0.00 H +HETATM 1281 H5 UFX A 107 -0.394 29.569 10.356 1.00 0.00 H +HETATM 1282 H6 UFX A 107 -0.467 28.509 12.576 1.00 0.00 H +HETATM 1283 H7 UFX A 107 1.242 28.831 12.831 1.00 0.00 H +HETATM 1284 H8 UFX A 107 0.177 27.161 10.713 1.00 0.00 H +HETATM 1285 C1 UFX A 108 24.121 5.007 16.366 1.00 0.00 C +HETATM 1286 C2 UFX A 108 25.348 5.318 15.492 1.00 0.00 C +HETATM 1287 C3 UFX A 108 25.908 4.055 14.827 1.00 0.00 C +HETATM 1288 O1 UFX A 108 26.439 3.163 15.809 1.00 0.00 O +HETATM 1289 H1 UFX A 108 23.341 4.529 15.773 1.00 0.00 H +HETATM 1290 H2 UFX A 108 24.386 4.342 17.188 1.00 0.00 H +HETATM 1291 H3 UFX A 108 23.718 5.928 16.788 1.00 0.00 H +HETATM 1292 H4 UFX A 108 25.059 6.027 14.716 1.00 0.00 H +HETATM 1293 H5 UFX A 108 26.123 5.794 16.092 1.00 0.00 H +HETATM 1294 H6 UFX A 108 26.691 4.332 14.121 1.00 0.00 H +HETATM 1295 H7 UFX A 108 25.118 3.556 14.266 1.00 0.00 H +HETATM 1296 H8 UFX A 108 25.756 2.912 16.468 1.00 0.00 H +HETATM 1297 C1 UFX A 109 15.570 31.921 23.469 1.00 0.00 C +HETATM 1298 C2 UFX A 109 15.298 30.877 22.371 1.00 0.00 C +HETATM 1299 C3 UFX A 109 15.697 31.392 20.979 1.00 0.00 C +HETATM 1300 O1 UFX A 109 14.895 32.521 20.627 1.00 0.00 O +HETATM 1301 H1 UFX A 109 16.624 32.201 23.479 1.00 0.00 H +HETATM 1302 H2 UFX A 109 14.974 32.819 23.306 1.00 0.00 H +HETATM 1303 H3 UFX A 109 15.315 31.513 24.447 1.00 0.00 H +HETATM 1304 H4 UFX A 109 15.863 29.971 22.592 1.00 0.00 H +HETATM 1305 H5 UFX A 109 14.242 30.605 22.376 1.00 0.00 H +HETATM 1306 H6 UFX A 109 15.559 30.600 20.243 1.00 0.00 H +HETATM 1307 H7 UFX A 109 16.752 31.665 20.970 1.00 0.00 H +HETATM 1308 H8 UFX A 109 13.938 32.308 20.653 1.00 0.00 H +HETATM 1309 C1 UFX A 110 33.266 10.842 14.787 1.00 0.00 C +HETATM 1310 C2 UFX A 110 32.619 10.658 13.403 1.00 0.00 C +HETATM 1311 C3 UFX A 110 31.085 10.672 13.481 1.00 0.00 C +HETATM 1312 O1 UFX A 110 30.624 9.569 14.259 1.00 0.00 O +HETATM 1313 H1 UFX A 110 32.969 11.796 15.223 1.00 0.00 H +HETATM 1314 H2 UFX A 110 32.971 10.040 15.463 1.00 0.00 H +HETATM 1315 H3 UFX A 110 34.352 10.831 14.697 1.00 0.00 H +HETATM 1316 H4 UFX A 110 32.949 11.463 12.746 1.00 0.00 H +HETATM 1317 H5 UFX A 110 32.957 9.721 12.961 1.00 0.00 H +HETATM 1318 H6 UFX A 110 30.669 10.609 12.475 1.00 0.00 H +HETATM 1319 H7 UFX A 110 30.742 11.610 13.919 1.00 0.00 H +HETATM 1320 H8 UFX A 110 30.959 8.715 13.911 1.00 0.00 H +HETATM 1321 C1 UFX A 111 29.836 13.156 23.136 1.00 0.00 C +HETATM 1322 C2 UFX A 111 29.744 14.421 24.000 1.00 0.00 C +HETATM 1323 C3 UFX A 111 29.865 15.697 23.159 1.00 0.00 C +HETATM 1324 O1 UFX A 111 31.119 15.712 22.475 1.00 0.00 O +HETATM 1325 H1 UFX A 111 29.063 13.167 22.367 1.00 0.00 H +HETATM 1326 H2 UFX A 111 30.811 13.081 22.654 1.00 0.00 H +HETATM 1327 H3 UFX A 111 29.691 12.270 23.754 1.00 0.00 H +HETATM 1328 H4 UFX A 111 28.780 14.428 24.509 1.00 0.00 H +HETATM 1329 H5 UFX A 111 30.521 14.404 24.765 1.00 0.00 H +HETATM 1330 H6 UFX A 111 29.780 16.572 23.803 1.00 0.00 H +HETATM 1331 H7 UFX A 111 29.048 15.742 22.439 1.00 0.00 H +HETATM 1332 H8 UFX A 111 31.873 15.683 23.103 1.00 0.00 H +HETATM 1333 C1 UFX A 112 19.951 7.022 5.203 1.00 0.00 C +HETATM 1334 C2 UFX A 112 19.264 8.110 6.048 1.00 0.00 C +HETATM 1335 C3 UFX A 112 20.280 9.096 6.658 1.00 0.00 C +HETATM 1336 O1 UFX A 112 21.166 8.434 7.559 1.00 0.00 O +HETATM 1337 H1 UFX A 112 20.518 7.474 4.389 1.00 0.00 H +HETATM 1338 H2 UFX A 112 20.626 6.423 5.815 1.00 0.00 H +HETATM 1339 H3 UFX A 112 19.205 6.360 4.762 1.00 0.00 H +HETATM 1340 H4 UFX A 112 18.570 8.667 5.418 1.00 0.00 H +HETATM 1341 H5 UFX A 112 18.672 7.644 6.836 1.00 0.00 H +HETATM 1342 H6 UFX A 112 19.749 9.889 7.183 1.00 0.00 H +HETATM 1343 H7 UFX A 112 20.855 9.563 5.858 1.00 0.00 H +HETATM 1344 H8 UFX A 112 20.727 8.211 8.408 1.00 0.00 H +HETATM 1345 C1 UFX A 113 18.113 25.067 28.381 1.00 0.00 C +HETATM 1346 C2 UFX A 113 19.271 24.704 29.327 1.00 0.00 C +HETATM 1347 C3 UFX A 113 18.887 24.907 30.801 1.00 0.00 C +HETATM 1348 O1 UFX A 113 18.620 26.285 31.054 1.00 0.00 O +HETATM 1349 H1 UFX A 113 17.236 24.457 28.599 1.00 0.00 H +HETATM 1350 H2 UFX A 113 17.836 26.115 28.491 1.00 0.00 H +HETATM 1351 H3 UFX A 113 18.405 24.898 27.344 1.00 0.00 H +HETATM 1352 H4 UFX A 113 19.548 23.661 29.172 1.00 0.00 H +HETATM 1353 H5 UFX A 113 20.147 25.308 29.089 1.00 0.00 H +HETATM 1354 H6 UFX A 113 19.701 24.570 31.442 1.00 0.00 H +HETATM 1355 H7 UFX A 113 18.009 24.309 31.044 1.00 0.00 H +HETATM 1356 H8 UFX A 113 19.396 26.850 30.848 1.00 0.00 H +HETATM 1357 C1 UFX A 114 28.780 7.429 21.506 1.00 0.00 C +HETATM 1358 C2 UFX A 114 27.598 8.363 21.806 1.00 0.00 C +HETATM 1359 C3 UFX A 114 26.460 8.157 20.801 1.00 0.00 C +HETATM 1360 O1 UFX A 114 26.853 8.603 19.504 1.00 0.00 O +HETATM 1361 H1 UFX A 114 28.452 6.390 21.501 1.00 0.00 H +HETATM 1362 H2 UFX A 114 29.214 7.662 20.533 1.00 0.00 H +HETATM 1363 H3 UFX A 114 29.553 7.539 22.267 1.00 0.00 H +HETATM 1364 H4 UFX A 114 27.224 8.153 22.808 1.00 0.00 H +HETATM 1365 H5 UFX A 114 27.929 9.402 21.791 1.00 0.00 H +HETATM 1366 H6 UFX A 114 25.577 8.708 21.128 1.00 0.00 H +HETATM 1367 H7 UFX A 114 26.187 7.103 20.764 1.00 0.00 H +HETATM 1368 H8 UFX A 114 26.856 9.582 19.438 1.00 0.00 H +HETATM 1369 C1 UFX A 115 18.916 28.350 21.246 1.00 0.00 C +HETATM 1370 C2 UFX A 115 19.724 28.922 22.422 1.00 0.00 C +HETATM 1371 C3 UFX A 115 19.288 30.350 22.775 1.00 0.00 C +HETATM 1372 O1 UFX A 115 19.569 31.229 21.688 1.00 0.00 O +HETATM 1373 H1 UFX A 115 17.852 28.344 21.482 1.00 0.00 H +HETATM 1374 H2 UFX A 115 19.070 28.947 20.347 1.00 0.00 H +HETATM 1375 H3 UFX A 115 19.229 27.328 21.034 1.00 0.00 H +HETATM 1376 H4 UFX A 115 19.587 28.279 23.292 1.00 0.00 H +HETATM 1377 H5 UFX A 115 20.786 28.916 22.177 1.00 0.00 H +HETATM 1378 H6 UFX A 115 19.826 30.690 23.659 1.00 0.00 H +HETATM 1379 H7 UFX A 115 18.223 30.367 23.008 1.00 0.00 H +HETATM 1380 H8 UFX A 115 19.282 32.147 21.881 1.00 0.00 H +HETATM 1381 C1 UFX A 116 4.311 12.063 30.041 1.00 0.00 C +HETATM 1382 C2 UFX A 116 3.902 12.123 28.561 1.00 0.00 C +HETATM 1383 C3 UFX A 116 2.375 12.083 28.385 1.00 0.00 C +HETATM 1384 O1 UFX A 116 1.845 10.878 28.932 1.00 0.00 O +HETATM 1385 H1 UFX A 116 3.917 12.924 30.580 1.00 0.00 H +HETATM 1386 H2 UFX A 116 3.932 11.154 30.510 1.00 0.00 H +HETATM 1387 H3 UFX A 116 5.397 12.064 30.129 1.00 0.00 H +HETATM 1388 H4 UFX A 116 4.292 13.040 28.120 1.00 0.00 H +HETATM 1389 H5 UFX A 116 4.355 11.292 28.020 1.00 0.00 H +HETATM 1390 H6 UFX A 116 2.131 12.141 27.324 1.00 0.00 H +HETATM 1391 H7 UFX A 116 1.920 12.941 28.879 1.00 0.00 H +HETATM 1392 H8 UFX A 116 2.355 10.093 28.641 1.00 0.00 H +HETATM 1393 C1 UFX A 117 26.838 13.467 1.552 1.00 0.00 C +HETATM 1394 C2 UFX A 117 26.804 12.280 2.527 1.00 0.00 C +HETATM 1395 C3 UFX A 117 27.633 12.542 3.792 1.00 0.00 C +HETATM 1396 O1 UFX A 117 29.003 12.748 3.451 1.00 0.00 O +HETATM 1397 H1 UFX A 117 26.455 14.368 2.033 1.00 0.00 H +HETATM 1398 H2 UFX A 117 27.855 13.658 1.210 1.00 0.00 H +HETATM 1399 H3 UFX A 117 26.218 13.254 0.681 1.00 0.00 H +HETATM 1400 H4 UFX A 117 25.772 12.084 2.818 1.00 0.00 H +HETATM 1401 H5 UFX A 117 27.172 11.384 2.026 1.00 0.00 H +HETATM 1402 H6 UFX A 117 27.546 11.689 4.463 1.00 0.00 H +HETATM 1403 H7 UFX A 117 27.247 13.414 4.320 1.00 0.00 H +HETATM 1404 H8 UFX A 117 29.368 12.001 2.930 1.00 0.00 H +HETATM 1405 C1 UFX A 118 31.172 1.483 22.388 1.00 0.00 C +HETATM 1406 C2 UFX A 118 31.662 2.762 23.090 1.00 0.00 C +HETATM 1407 C3 UFX A 118 30.558 3.826 23.176 1.00 0.00 C +HETATM 1408 O1 UFX A 118 30.179 4.246 21.870 1.00 0.00 O +HETATM 1409 H1 UFX A 118 30.297 1.078 22.896 1.00 0.00 H +HETATM 1410 H2 UFX A 118 30.910 1.690 21.350 1.00 0.00 H +HETATM 1411 H3 UFX A 118 31.957 0.726 22.396 1.00 0.00 H +HETATM 1412 H4 UFX A 118 31.995 2.509 24.097 1.00 0.00 H +HETATM 1413 H5 UFX A 118 32.524 3.167 22.560 1.00 0.00 H +HETATM 1414 H6 UFX A 118 30.916 4.684 23.746 1.00 0.00 H +HETATM 1415 H7 UFX A 118 29.691 3.420 23.697 1.00 0.00 H +HETATM 1416 H8 UFX A 118 30.928 4.661 21.391 1.00 0.00 H +HETATM 1417 C1 UFX A 119 26.032 17.298 30.975 1.00 0.00 C +HETATM 1418 C2 UFX A 119 24.576 17.699 31.268 1.00 0.00 C +HETATM 1419 C3 UFX A 119 23.687 16.474 31.527 1.00 0.00 C +HETATM 1420 O1 UFX A 119 23.656 15.628 30.377 1.00 0.00 O +HETATM 1421 H1 UFX A 119 26.453 16.739 31.811 1.00 0.00 H +HETATM 1422 H2 UFX A 119 26.091 16.678 30.080 1.00 0.00 H +HETATM 1423 H3 UFX A 119 26.641 18.187 30.812 1.00 0.00 H +HETATM 1424 H4 UFX A 119 24.554 18.347 32.145 1.00 0.00 H +HETATM 1425 H5 UFX A 119 24.176 18.275 30.433 1.00 0.00 H +HETATM 1426 H6 UFX A 119 22.676 16.801 31.771 1.00 0.00 H +HETATM 1427 H7 UFX A 119 24.064 15.918 32.385 1.00 0.00 H +HETATM 1428 H8 UFX A 119 23.329 16.101 29.582 1.00 0.00 H +HETATM 1429 C1 UFX A 120 26.741 4.166 3.073 1.00 0.00 C +HETATM 1430 C2 UFX A 120 25.442 3.511 3.572 1.00 0.00 C +HETATM 1431 C3 UFX A 120 24.196 4.288 3.114 1.00 0.00 C +HETATM 1432 O1 UFX A 120 24.219 5.616 3.629 1.00 0.00 O +HETATM 1433 H1 UFX A 120 26.739 4.237 1.985 1.00 0.00 H +HETATM 1434 H2 UFX A 120 26.849 5.169 3.485 1.00 0.00 H +HETATM 1435 H3 UFX A 120 27.604 3.574 3.379 1.00 0.00 H +HETATM 1436 H4 UFX A 120 25.385 2.492 3.190 1.00 0.00 H +HETATM 1437 H5 UFX A 120 25.456 3.447 4.660 1.00 0.00 H +HETATM 1438 H6 UFX A 120 23.299 3.776 3.463 1.00 0.00 H +HETATM 1439 H7 UFX A 120 24.158 4.316 2.025 1.00 0.00 H +HETATM 1440 H8 UFX A 120 24.283 5.625 4.608 1.00 0.00 H +HETATM 1441 C1 UFX A 121 23.076 16.062 13.805 1.00 0.00 C +HETATM 1442 C2 UFX A 121 23.261 16.171 15.327 1.00 0.00 C +HETATM 1443 C3 UFX A 121 24.106 15.020 15.886 1.00 0.00 C +HETATM 1444 O1 UFX A 121 23.432 13.778 15.695 1.00 0.00 O +HETATM 1445 H1 UFX A 121 24.042 16.050 13.301 1.00 0.00 H +HETATM 1446 H2 UFX A 121 22.532 15.152 13.548 1.00 0.00 H +HETATM 1447 H3 UFX A 121 22.508 16.915 13.434 1.00 0.00 H +HETATM 1448 H4 UFX A 121 23.749 17.118 15.560 1.00 0.00 H +HETATM 1449 H5 UFX A 121 22.288 16.182 15.818 1.00 0.00 H +HETATM 1450 H6 UFX A 121 24.275 15.180 16.951 1.00 0.00 H +HETATM 1451 H7 UFX A 121 25.080 14.997 15.397 1.00 0.00 H +HETATM 1452 H8 UFX A 121 22.558 13.773 16.140 1.00 0.00 H +HETATM 1453 C1 UFX A 122 17.137 10.483 20.934 1.00 0.00 C +HETATM 1454 C2 UFX A 122 18.581 10.499 20.402 1.00 0.00 C +HETATM 1455 C3 UFX A 122 18.645 10.175 18.902 1.00 0.00 C +HETATM 1456 O1 UFX A 122 18.175 8.851 18.655 1.00 0.00 O +HETATM 1457 H1 UFX A 122 16.516 11.186 20.378 1.00 0.00 H +HETATM 1458 H2 UFX A 122 16.706 9.486 20.842 1.00 0.00 H +HETATM 1459 H3 UFX A 122 17.120 10.764 21.987 1.00 0.00 H +HETATM 1460 H4 UFX A 122 19.011 11.487 20.570 1.00 0.00 H +HETATM 1461 H5 UFX A 122 19.187 9.785 20.960 1.00 0.00 H +HETATM 1462 H6 UFX A 122 19.674 10.262 18.552 1.00 0.00 H +HETATM 1463 H7 UFX A 122 18.045 10.892 18.342 1.00 0.00 H +HETATM 1464 H8 UFX A 122 18.735 8.175 19.093 1.00 0.00 H +HETATM 1465 C1 UFX A 123 25.648 0.664 12.651 1.00 0.00 C +HETATM 1466 C2 UFX A 123 25.939 1.539 11.418 1.00 0.00 C +HETATM 1467 C3 UFX A 123 24.859 2.608 11.198 1.00 0.00 C +HETATM 1468 O1 UFX A 123 23.578 2.002 11.024 1.00 0.00 O +HETATM 1469 H1 UFX A 123 25.575 1.278 13.549 1.00 0.00 H +HETATM 1470 H2 UFX A 123 24.713 0.118 12.526 1.00 0.00 H +HETATM 1471 H3 UFX A 123 26.449 -0.060 12.796 1.00 0.00 H +HETATM 1472 H4 UFX A 123 26.902 2.034 11.549 1.00 0.00 H +HETATM 1473 H5 UFX A 123 26.020 0.907 10.533 1.00 0.00 H +HETATM 1474 H6 UFX A 123 25.105 3.200 10.316 1.00 0.00 H +HETATM 1475 H7 UFX A 123 24.836 3.291 12.047 1.00 0.00 H +HETATM 1476 H8 UFX A 123 23.540 1.482 10.193 1.00 0.00 H +HETATM 1477 C1 UFX A 124 26.428 18.589 22.982 1.00 0.00 C +HETATM 1478 C2 UFX A 124 25.240 17.712 23.414 1.00 0.00 C +HETATM 1479 C3 UFX A 124 25.696 16.460 24.181 1.00 0.00 C +HETATM 1480 O1 UFX A 124 26.481 15.620 23.336 1.00 0.00 O +HETATM 1481 H1 UFX A 124 27.000 18.913 23.851 1.00 0.00 H +HETATM 1482 H2 UFX A 124 27.090 18.043 22.310 1.00 0.00 H +HETATM 1483 H3 UFX A 124 26.065 19.478 22.464 1.00 0.00 H +HETATM 1484 H4 UFX A 124 24.580 18.299 24.053 1.00 0.00 H +HETATM 1485 H5 UFX A 124 24.660 17.417 22.540 1.00 0.00 H +HETATM 1486 H6 UFX A 124 24.823 15.910 24.534 1.00 0.00 H +HETATM 1487 H7 UFX A 124 26.277 16.749 25.057 1.00 0.00 H +HETATM 1488 H8 UFX A 124 25.993 15.357 22.527 1.00 0.00 H +HETATM 1489 C1 UFX A 125 18.414 6.853 21.540 1.00 0.00 C +HETATM 1490 C2 UFX A 125 18.605 5.470 22.179 1.00 0.00 C +HETATM 1491 C3 UFX A 125 18.446 4.331 21.161 1.00 0.00 C +HETATM 1492 O1 UFX A 125 17.150 4.366 20.571 1.00 0.00 O +HETATM 1493 H1 UFX A 125 19.123 6.995 20.723 1.00 0.00 H +HETATM 1494 H2 UFX A 125 17.400 6.960 21.154 1.00 0.00 H +HETATM 1495 H3 UFX A 125 18.578 7.634 22.283 1.00 0.00 H +HETATM 1496 H4 UFX A 125 19.601 5.415 22.617 1.00 0.00 H +HETATM 1497 H5 UFX A 125 17.886 5.342 22.989 1.00 0.00 H +HETATM 1498 H6 UFX A 125 18.592 3.373 21.661 1.00 0.00 H +HETATM 1499 H7 UFX A 125 19.208 4.415 20.386 1.00 0.00 H +HETATM 1500 H8 UFX A 125 16.442 4.264 21.242 1.00 0.00 H +HETATM 1501 C1 UFX A 126 12.103 6.468 23.859 1.00 0.00 C +HETATM 1502 C2 UFX A 126 12.821 7.715 23.313 1.00 0.00 C +HETATM 1503 C3 UFX A 126 14.129 7.363 22.588 1.00 0.00 C +HETATM 1504 O1 UFX A 126 15.033 6.703 23.474 1.00 0.00 O +HETATM 1505 H1 UFX A 126 11.860 5.778 23.051 1.00 0.00 H +HETATM 1506 H2 UFX A 126 12.730 5.947 24.583 1.00 0.00 H +HETATM 1507 H3 UFX A 126 11.175 6.754 24.354 1.00 0.00 H +HETATM 1508 H4 UFX A 126 12.158 8.229 22.618 1.00 0.00 H +HETATM 1509 H5 UFX A 126 13.032 8.405 24.130 1.00 0.00 H +HETATM 1510 H6 UFX A 126 14.590 8.274 22.207 1.00 0.00 H +HETATM 1511 H7 UFX A 126 13.916 6.722 21.732 1.00 0.00 H +HETATM 1512 H8 UFX A 126 15.209 7.230 24.282 1.00 0.00 H +HETATM 1513 C1 UFX A 127 3.400 5.745 28.659 1.00 0.00 C +HETATM 1514 C2 UFX A 127 3.843 6.721 29.762 1.00 0.00 C +HETATM 1515 C3 UFX A 127 3.142 8.081 29.635 1.00 0.00 C +HETATM 1516 O1 UFX A 127 3.511 8.720 28.409 1.00 0.00 O +HETATM 1517 H1 UFX A 127 2.329 5.553 28.728 1.00 0.00 H +HETATM 1518 H2 UFX A 127 3.615 6.155 27.672 1.00 0.00 H +HETATM 1519 H3 UFX A 127 3.928 4.797 28.761 1.00 0.00 H +HETATM 1520 H4 UFX A 127 3.610 6.287 30.734 1.00 0.00 H +HETATM 1521 H5 UFX A 127 4.924 6.860 29.723 1.00 0.00 H +HETATM 1522 H6 UFX A 127 3.422 8.716 30.476 1.00 0.00 H +HETATM 1523 H7 UFX A 127 2.060 7.948 29.676 1.00 0.00 H +HETATM 1524 H8 UFX A 127 4.479 8.867 28.358 1.00 0.00 H +HETATM 1525 C1 UFX A 128 11.275 10.040 18.978 1.00 0.00 C +HETATM 1526 C2 UFX A 128 12.089 11.276 18.564 1.00 0.00 C +HETATM 1527 C3 UFX A 128 11.531 11.945 17.298 1.00 0.00 C +HETATM 1528 O1 UFX A 128 11.596 11.047 16.198 1.00 0.00 O +HETATM 1529 H1 UFX A 128 10.240 10.318 19.177 1.00 0.00 H +HETATM 1530 H2 UFX A 128 11.293 9.286 18.191 1.00 0.00 H +HETATM 1531 H3 UFX A 128 11.695 9.599 19.882 1.00 0.00 H +HETATM 1532 H4 UFX A 128 12.080 12.000 19.378 1.00 0.00 H +HETATM 1533 H5 UFX A 128 13.128 10.987 18.402 1.00 0.00 H +HETATM 1534 H6 UFX A 128 12.112 12.839 17.070 1.00 0.00 H +HETATM 1535 H7 UFX A 128 10.499 12.256 17.464 1.00 0.00 H +HETATM 1536 H8 UFX A 128 12.501 10.686 16.078 1.00 0.00 H +HETATM 1537 C1 UFX A 129 6.459 5.430 26.408 1.00 0.00 C +HETATM 1538 C2 UFX A 129 6.689 6.917 26.723 1.00 0.00 C +HETATM 1539 C3 UFX A 129 8.184 7.253 26.828 1.00 0.00 C +HETATM 1540 O1 UFX A 129 8.776 6.544 27.915 1.00 0.00 O +HETATM 1541 H1 UFX A 129 6.951 5.159 25.474 1.00 0.00 H +HETATM 1542 H2 UFX A 129 6.849 4.800 27.207 1.00 0.00 H +HETATM 1543 H3 UFX A 129 5.393 5.227 26.301 1.00 0.00 H +HETATM 1544 H4 UFX A 129 6.242 7.523 25.935 1.00 0.00 H +HETATM 1545 H5 UFX A 129 6.190 7.179 27.656 1.00 0.00 H +HETATM 1546 H6 UFX A 129 8.302 8.325 26.985 1.00 0.00 H +HETATM 1547 H7 UFX A 129 8.690 7.001 25.896 1.00 0.00 H +HETATM 1548 H8 UFX A 129 8.351 6.775 28.768 1.00 0.00 H +HETATM 1549 C1 UFX A 130 27.802 20.884 7.434 1.00 0.00 C +HETATM 1550 C2 UFX A 130 26.280 21.091 7.350 1.00 0.00 C +HETATM 1551 C3 UFX A 130 25.915 22.583 7.315 1.00 0.00 C +HETATM 1552 O1 UFX A 130 26.302 23.221 8.531 1.00 0.00 O +HETATM 1553 H1 UFX A 130 28.299 21.364 6.590 1.00 0.00 H +HETATM 1554 H2 UFX A 130 28.198 21.308 8.356 1.00 0.00 H +HETATM 1555 H3 UFX A 130 28.041 19.820 7.412 1.00 0.00 H +HETATM 1556 H4 UFX A 130 25.906 20.617 6.442 1.00 0.00 H +HETATM 1557 H5 UFX A 130 25.790 20.610 8.196 1.00 0.00 H +HETATM 1558 H6 UFX A 130 24.841 22.697 7.169 1.00 0.00 H +HETATM 1559 H7 UFX A 130 26.414 23.061 6.472 1.00 0.00 H +HETATM 1560 H8 UFX A 130 25.819 22.862 9.305 1.00 0.00 H +HETATM 1561 C1 UFX A 131 9.887 19.308 25.433 1.00 0.00 C +HETATM 1562 C2 UFX A 131 9.650 20.816 25.592 1.00 0.00 C +HETATM 1563 C3 UFX A 131 8.358 21.267 24.900 1.00 0.00 C +HETATM 1564 O1 UFX A 131 8.452 21.055 23.491 1.00 0.00 O +HETATM 1565 H1 UFX A 131 9.057 18.748 25.865 1.00 0.00 H +HETATM 1566 H2 UFX A 131 9.980 19.038 24.381 1.00 0.00 H +HETATM 1567 H3 UFX A 131 10.804 19.013 25.944 1.00 0.00 H +HETATM 1568 H4 UFX A 131 9.593 21.060 26.653 1.00 0.00 H +HETATM 1569 H5 UFX A 131 10.498 21.370 25.189 1.00 0.00 H +HETATM 1570 H6 UFX A 131 8.189 22.325 25.100 1.00 0.00 H +HETATM 1571 H7 UFX A 131 7.507 20.718 25.302 1.00 0.00 H +HETATM 1572 H8 UFX A 131 9.118 21.650 23.085 1.00 0.00 H +HETATM 1573 C1 UFX A 132 15.237 5.909 17.353 1.00 0.00 C +HETATM 1574 C2 UFX A 132 15.464 6.603 18.704 1.00 0.00 C +HETATM 1575 C3 UFX A 132 14.870 8.018 18.717 1.00 0.00 C +HETATM 1576 O1 UFX A 132 15.628 8.863 17.854 1.00 0.00 O +HETATM 1577 H1 UFX A 132 14.172 5.857 17.126 1.00 0.00 H +HETATM 1578 H2 UFX A 132 15.735 6.454 16.552 1.00 0.00 H +HETATM 1579 H3 UFX A 132 15.631 4.893 17.383 1.00 0.00 H +HETATM 1580 H4 UFX A 132 15.007 6.010 19.496 1.00 0.00 H +HETATM 1581 H5 UFX A 132 16.531 6.646 18.923 1.00 0.00 H +HETATM 1582 H6 UFX A 132 14.897 8.416 19.731 1.00 0.00 H +HETATM 1583 H7 UFX A 132 13.826 7.994 18.402 1.00 0.00 H +HETATM 1584 H8 UFX A 132 16.577 8.870 18.103 1.00 0.00 H +HETATM 1585 C1 UFX A 133 7.255 14.257 31.585 1.00 0.00 C +HETATM 1586 C2 UFX A 133 7.704 14.043 30.128 1.00 0.00 C +HETATM 1587 C3 UFX A 133 8.466 12.722 29.960 1.00 0.00 C +HETATM 1588 O1 UFX A 133 9.688 12.760 30.697 1.00 0.00 O +HETATM 1589 H1 UFX A 133 6.593 13.450 31.901 1.00 0.00 H +HETATM 1590 H2 UFX A 133 8.114 14.287 32.254 1.00 0.00 H +HETATM 1591 H3 UFX A 133 6.713 15.198 31.682 1.00 0.00 H +HETATM 1592 H4 UFX A 133 6.827 14.033 29.480 1.00 0.00 H +HETATM 1593 H5 UFX A 133 8.332 14.874 29.806 1.00 0.00 H +HETATM 1594 H6 UFX A 133 8.681 12.560 28.903 1.00 0.00 H +HETATM 1595 H7 UFX A 133 7.853 11.887 30.299 1.00 0.00 H +HETATM 1596 H8 UFX A 133 10.233 13.541 30.460 1.00 0.00 H +HETATM 1597 C1 UFX A 134 6.748 3.534 17.392 1.00 0.00 C +HETATM 1598 C2 UFX A 134 7.638 4.704 16.939 1.00 0.00 C +HETATM 1599 C3 UFX A 134 7.657 4.852 15.411 1.00 0.00 C +HETATM 1600 O1 UFX A 134 8.185 3.674 14.807 1.00 0.00 O +HETATM 1601 H1 UFX A 134 5.729 3.669 17.030 1.00 0.00 H +HETATM 1602 H2 UFX A 134 7.132 2.588 17.009 1.00 0.00 H +HETATM 1603 H3 UFX A 134 6.725 3.479 18.481 1.00 0.00 H +HETATM 1604 H4 UFX A 134 7.264 5.626 17.385 1.00 0.00 H +HETATM 1605 H5 UFX A 134 8.656 4.555 17.300 1.00 0.00 H +HETATM 1606 H6 UFX A 134 8.266 5.712 15.132 1.00 0.00 H +HETATM 1607 H7 UFX A 134 6.647 5.038 15.045 1.00 0.00 H +HETATM 1608 H8 UFX A 134 9.059 3.430 15.179 1.00 0.00 H +HETATM 1609 C1 UFX A 135 15.501 12.375 16.879 1.00 0.00 C +HETATM 1610 C2 UFX A 135 15.904 11.505 15.679 1.00 0.00 C +HETATM 1611 C3 UFX A 135 14.711 10.762 15.053 1.00 0.00 C +HETATM 1612 O1 UFX A 135 14.053 9.962 16.034 1.00 0.00 O +HETATM 1613 H1 UFX A 135 14.689 13.052 16.614 1.00 0.00 H +HETATM 1614 H2 UFX A 135 15.182 11.752 17.715 1.00 0.00 H +HETATM 1615 H3 UFX A 135 16.354 12.969 17.207 1.00 0.00 H +HETATM 1616 H4 UFX A 135 16.367 12.134 14.919 1.00 0.00 H +HETATM 1617 H5 UFX A 135 16.656 10.783 15.997 1.00 0.00 H +HETATM 1618 H6 UFX A 135 15.066 10.129 14.240 1.00 0.00 H +HETATM 1619 H7 UFX A 135 14.008 11.475 14.622 1.00 0.00 H +HETATM 1620 H8 UFX A 135 14.690 9.544 16.652 1.00 0.00 H +HETATM 1621 C1 UFX A 136 7.721 11.043 15.861 1.00 0.00 C +HETATM 1622 C2 UFX A 136 8.157 9.969 16.865 1.00 0.00 C +HETATM 1623 C3 UFX A 136 7.613 8.584 16.502 1.00 0.00 C +HETATM 1624 O1 UFX A 136 6.188 8.595 16.513 1.00 0.00 O +HETATM 1625 H1 UFX A 136 8.084 10.801 14.862 1.00 0.00 H +HETATM 1626 H2 UFX A 136 6.634 11.127 15.829 1.00 0.00 H +HETATM 1627 H3 UFX A 136 8.133 12.010 16.150 1.00 0.00 H +HETATM 1628 H4 UFX A 136 9.246 9.925 16.884 1.00 0.00 H +HETATM 1629 H5 UFX A 136 7.825 10.246 17.865 1.00 0.00 H +HETATM 1630 H6 UFX A 136 7.978 7.855 17.226 1.00 0.00 H +HETATM 1631 H7 UFX A 136 7.978 8.286 15.519 1.00 0.00 H +HETATM 1632 H8 UFX A 136 5.841 8.932 17.367 1.00 0.00 H +HETATM 1633 C1 UFX A 137 10.300 5.962 -0.112 1.00 0.00 C +HETATM 1634 C2 UFX A 137 9.803 7.413 0.014 1.00 0.00 C +HETATM 1635 C3 UFX A 137 8.601 7.530 0.965 1.00 0.00 C +HETATM 1636 O1 UFX A 137 7.514 6.733 0.502 1.00 0.00 O +HETATM 1637 H1 UFX A 137 10.595 5.574 0.863 1.00 0.00 H +HETATM 1638 H2 UFX A 137 9.517 5.320 -0.517 1.00 0.00 H +HETATM 1639 H3 UFX A 137 11.161 5.914 -0.779 1.00 0.00 H +HETATM 1640 H4 UFX A 137 10.614 8.038 0.388 1.00 0.00 H +HETATM 1641 H5 UFX A 137 9.525 7.796 -0.968 1.00 0.00 H +HETATM 1642 H6 UFX A 137 8.289 8.573 1.028 1.00 0.00 H +HETATM 1643 H7 UFX A 137 8.889 7.210 1.966 1.00 0.00 H +HETATM 1644 H8 UFX A 137 7.206 7.009 -0.388 1.00 0.00 H +HETATM 1645 C1 UFX A 138 -0.803 6.811 15.040 1.00 0.00 C +HETATM 1646 C2 UFX A 138 0.508 6.465 14.311 1.00 0.00 C +HETATM 1647 C3 UFX A 138 1.491 7.647 14.322 1.00 0.00 C +HETATM 1648 O1 UFX A 138 0.933 8.756 13.619 1.00 0.00 O +HETATM 1649 H1 UFX A 138 -0.599 7.122 16.064 1.00 0.00 H +HETATM 1650 H2 UFX A 138 -1.326 7.620 14.529 1.00 0.00 H +HETATM 1651 H3 UFX A 138 -1.460 5.941 15.070 1.00 0.00 H +HETATM 1652 H4 UFX A 138 0.977 5.612 14.801 1.00 0.00 H +HETATM 1653 H5 UFX A 138 0.297 6.170 13.283 1.00 0.00 H +HETATM 1654 H6 UFX A 138 2.431 7.352 13.856 1.00 0.00 H +HETATM 1655 H7 UFX A 138 1.713 7.933 15.350 1.00 0.00 H +HETATM 1656 H8 UFX A 138 0.789 8.551 12.670 1.00 0.00 H +HETATM 1657 C1 UFX A 139 17.743 17.440 0.474 1.00 0.00 C +HETATM 1658 C2 UFX A 139 16.491 17.438 1.370 1.00 0.00 C +HETATM 1659 C3 UFX A 139 16.765 16.778 2.730 1.00 0.00 C +HETATM 1660 O1 UFX A 139 17.133 15.414 2.551 1.00 0.00 O +HETATM 1661 H1 UFX A 139 18.567 17.951 0.971 1.00 0.00 H +HETATM 1662 H2 UFX A 139 18.052 16.421 0.242 1.00 0.00 H +HETATM 1663 H3 UFX A 139 17.533 17.955 -0.464 1.00 0.00 H +HETATM 1664 H4 UFX A 139 16.170 18.467 1.533 1.00 0.00 H +HETATM 1665 H5 UFX A 139 15.675 16.920 0.866 1.00 0.00 H +HETATM 1666 H6 UFX A 139 15.876 16.840 3.357 1.00 0.00 H +HETATM 1667 H7 UFX A 139 17.568 17.309 3.243 1.00 0.00 H +HETATM 1668 H8 UFX A 139 16.420 14.891 2.127 1.00 0.00 H +HETATM 1669 C1 UFX A 140 23.681 -0.493 16.357 1.00 0.00 C +HETATM 1670 C2 UFX A 140 22.235 -0.030 16.113 1.00 0.00 C +HETATM 1671 C3 UFX A 140 21.922 1.284 16.845 1.00 0.00 C +HETATM 1672 O1 UFX A 140 21.947 1.088 18.257 1.00 0.00 O +HETATM 1673 H1 UFX A 140 24.386 0.269 16.023 1.00 0.00 H +HETATM 1674 H2 UFX A 140 23.850 -0.686 17.416 1.00 0.00 H +HETATM 1675 H3 UFX A 140 23.880 -1.410 15.803 1.00 0.00 H +HETATM 1676 H4 UFX A 140 22.087 0.118 15.043 1.00 0.00 H +HETATM 1677 H5 UFX A 140 21.536 -0.804 16.430 1.00 0.00 H +HETATM 1678 H6 UFX A 140 20.934 1.637 16.546 1.00 0.00 H +HETATM 1679 H7 UFX A 140 22.644 2.050 16.562 1.00 0.00 H +HETATM 1680 H8 UFX A 140 21.297 0.410 18.542 1.00 0.00 H +HETATM 1681 C1 UFX A 141 5.899 26.303 17.419 1.00 0.00 C +HETATM 1682 C2 UFX A 141 7.084 25.826 18.268 1.00 0.00 C +HETATM 1683 C3 UFX A 141 7.000 26.338 19.710 1.00 0.00 C +HETATM 1684 O1 UFX A 141 7.198 27.751 19.761 1.00 0.00 O +HETATM 1685 H1 UFX A 141 4.956 26.006 17.879 1.00 0.00 H +HETATM 1686 H2 UFX A 141 5.913 27.389 17.318 1.00 0.00 H +HETATM 1687 H3 UFX A 141 5.949 25.860 16.425 1.00 0.00 H +HETATM 1688 H4 UFX A 141 7.084 24.736 18.282 1.00 0.00 H +HETATM 1689 H5 UFX A 141 8.024 26.142 17.815 1.00 0.00 H +HETATM 1690 H6 UFX A 141 7.760 25.837 20.309 1.00 0.00 H +HETATM 1691 H7 UFX A 141 6.030 26.085 20.139 1.00 0.00 H +HETATM 1692 H8 UFX A 141 8.060 28.017 19.377 1.00 0.00 H +HETATM 1693 C1 UFX A 142 26.597 9.280 -0.161 1.00 0.00 C +HETATM 1694 C2 UFX A 142 25.329 8.531 0.285 1.00 0.00 C +HETATM 1695 C3 UFX A 142 24.134 8.833 -0.634 1.00 0.00 C +HETATM 1696 O1 UFX A 142 23.794 10.217 -0.571 1.00 0.00 O +HETATM 1697 H1 UFX A 142 26.866 9.002 -1.180 1.00 0.00 H +HETATM 1698 H2 UFX A 142 26.439 10.358 -0.125 1.00 0.00 H +HETATM 1699 H3 UFX A 142 27.431 9.031 0.496 1.00 0.00 H +HETATM 1700 H4 UFX A 142 25.525 7.459 0.275 1.00 0.00 H +HETATM 1701 H5 UFX A 142 25.081 8.805 1.311 1.00 0.00 H +HETATM 1702 H6 UFX A 142 23.277 8.231 -0.332 1.00 0.00 H +HETATM 1703 H7 UFX A 142 24.376 8.560 -1.661 1.00 0.00 H +HETATM 1704 H8 UFX A 142 23.601 10.512 0.345 1.00 0.00 H +HETATM 1705 C1 UFX A 143 29.791 19.671 28.604 1.00 0.00 C +HETATM 1706 C2 UFX A 143 29.602 18.874 27.303 1.00 0.00 C +HETATM 1707 C3 UFX A 143 28.127 18.814 26.874 1.00 0.00 C +HETATM 1708 O1 UFX A 143 27.352 18.159 27.875 1.00 0.00 O +HETATM 1709 H1 UFX A 143 29.420 20.689 28.485 1.00 0.00 H +HETATM 1710 H2 UFX A 143 29.256 19.199 29.428 1.00 0.00 H +HETATM 1711 H3 UFX A 143 30.848 19.719 28.865 1.00 0.00 H +HETATM 1712 H4 UFX A 143 30.186 19.343 26.511 1.00 0.00 H +HETATM 1713 H5 UFX A 143 29.989 17.863 27.432 1.00 0.00 H +HETATM 1714 H6 UFX A 143 28.045 18.272 25.932 1.00 0.00 H +HETATM 1715 H7 UFX A 143 27.745 19.821 26.705 1.00 0.00 H +HETATM 1716 H8 UFX A 143 27.690 17.257 28.065 1.00 0.00 H +HETATM 1717 C1 UFX A 144 9.017 12.841 5.851 1.00 0.00 C +HETATM 1718 C2 UFX A 144 8.769 14.331 5.568 1.00 0.00 C +HETATM 1719 C3 UFX A 144 9.951 15.208 6.016 1.00 0.00 C +HETATM 1720 O1 UFX A 144 10.063 15.214 7.437 1.00 0.00 O +HETATM 1721 H1 UFX A 144 9.900 12.492 5.315 1.00 0.00 H +HETATM 1722 H2 UFX A 144 9.163 12.671 6.918 1.00 0.00 H +HETATM 1723 H3 UFX A 144 8.166 12.245 5.520 1.00 0.00 H +HETATM 1724 H4 UFX A 144 8.610 14.468 4.498 1.00 0.00 H +HETATM 1725 H5 UFX A 144 7.859 14.656 6.072 1.00 0.00 H +HETATM 1726 H6 UFX A 144 9.800 16.229 5.664 1.00 0.00 H +HETATM 1727 H7 UFX A 144 10.876 14.844 5.570 1.00 0.00 H +HETATM 1728 H8 UFX A 144 9.306 15.679 7.855 1.00 0.00 H +HETATM 1729 C1 UFX A 145 34.202 28.883 7.404 1.00 0.00 C +HETATM 1730 C2 UFX A 145 33.099 27.815 7.492 1.00 0.00 C +HETATM 1731 C3 UFX A 145 32.858 27.352 8.936 1.00 0.00 C +HETATM 1732 O1 UFX A 145 34.036 26.749 9.471 1.00 0.00 O +HETATM 1733 H1 UFX A 145 33.927 29.765 7.982 1.00 0.00 H +HETATM 1734 H2 UFX A 145 35.146 28.494 7.785 1.00 0.00 H +HETATM 1735 H3 UFX A 145 34.350 29.185 6.367 1.00 0.00 H +HETATM 1736 H4 UFX A 145 32.171 28.223 7.090 1.00 0.00 H +HETATM 1737 H5 UFX A 145 33.366 26.957 6.874 1.00 0.00 H +HETATM 1738 H6 UFX A 145 32.044 26.627 8.947 1.00 0.00 H +HETATM 1739 H7 UFX A 145 32.557 28.197 9.556 1.00 0.00 H +HETATM 1740 H8 UFX A 145 34.299 25.958 8.953 1.00 0.00 H +HETATM 1741 C1 UFX A 146 26.815 30.564 18.736 1.00 0.00 C +HETATM 1742 C2 UFX A 146 27.922 29.725 18.078 1.00 0.00 C +HETATM 1743 C3 UFX A 146 28.604 28.784 19.083 1.00 0.00 C +HETATM 1744 O1 UFX A 146 29.229 29.536 20.124 1.00 0.00 O +HETATM 1745 H1 UFX A 146 26.065 29.920 19.195 1.00 0.00 H +HETATM 1746 H2 UFX A 146 27.231 31.217 19.504 1.00 0.00 H +HETATM 1747 H3 UFX A 146 26.324 31.190 17.990 1.00 0.00 H +HETATM 1748 H4 UFX A 146 27.491 29.131 17.271 1.00 0.00 H +HETATM 1749 H5 UFX A 146 28.664 30.383 17.628 1.00 0.00 H +HETATM 1750 H6 UFX A 146 29.354 28.186 18.565 1.00 0.00 H +HETATM 1751 H7 UFX A 146 27.872 28.097 19.508 1.00 0.00 H +HETATM 1752 H8 UFX A 146 29.808 30.242 19.765 1.00 0.00 H +HETATM 1753 C1 UFX A 147 27.628 22.305 22.376 1.00 0.00 C +HETATM 1754 C2 UFX A 147 27.000 22.285 20.973 1.00 0.00 C +HETATM 1755 C3 UFX A 147 27.898 21.581 19.946 1.00 0.00 C +HETATM 1756 O1 UFX A 147 29.144 22.265 19.825 1.00 0.00 O +HETATM 1757 H1 UFX A 147 27.840 21.291 22.715 1.00 0.00 H +HETATM 1758 H2 UFX A 147 28.555 22.878 22.378 1.00 0.00 H +HETATM 1759 H3 UFX A 147 26.940 22.765 23.086 1.00 0.00 H +HETATM 1760 H4 UFX A 147 26.044 21.763 21.021 1.00 0.00 H +HETATM 1761 H5 UFX A 147 26.794 23.306 20.649 1.00 0.00 H +HETATM 1762 H6 UFX A 147 27.398 21.559 18.977 1.00 0.00 H +HETATM 1763 H7 UFX A 147 28.067 20.547 20.249 1.00 0.00 H +HETATM 1764 H8 UFX A 147 29.021 23.184 19.504 1.00 0.00 H +HETATM 1765 C1 UFX A 148 30.585 25.363 20.575 1.00 0.00 C +HETATM 1766 C2 UFX A 148 31.306 26.652 21.003 1.00 0.00 C +HETATM 1767 C3 UFX A 148 30.686 27.253 22.274 1.00 0.00 C +HETATM 1768 O1 UFX A 148 29.333 27.639 22.031 1.00 0.00 O +HETATM 1769 H1 UFX A 148 30.623 24.622 21.374 1.00 0.00 H +HETATM 1770 H2 UFX A 148 29.540 25.569 20.343 1.00 0.00 H +HETATM 1771 H3 UFX A 148 31.061 24.940 19.690 1.00 0.00 H +HETATM 1772 H4 UFX A 148 32.356 26.427 21.191 1.00 0.00 H +HETATM 1773 H5 UFX A 148 31.272 27.382 20.194 1.00 0.00 H +HETATM 1774 H6 UFX A 148 31.263 28.123 22.587 1.00 0.00 H +HETATM 1775 H7 UFX A 148 30.723 26.525 23.084 1.00 0.00 H +HETATM 1776 H8 UFX A 148 29.270 28.336 21.343 1.00 0.00 H +HETATM 1777 C1 UFX A 149 7.520 27.245 32.455 1.00 0.00 C +HETATM 1778 C2 UFX A 149 8.985 27.014 32.049 1.00 0.00 C +HETATM 1779 C3 UFX A 149 9.276 25.526 31.820 1.00 0.00 C +HETATM 1780 O1 UFX A 149 9.131 24.805 33.044 1.00 0.00 O +HETATM 1781 H1 UFX A 149 6.847 26.868 31.685 1.00 0.00 H +HETATM 1782 H2 UFX A 149 7.295 26.736 33.393 1.00 0.00 H +HETATM 1783 H3 UFX A 149 7.330 28.310 32.589 1.00 0.00 H +HETATM 1784 H4 UFX A 149 9.192 27.562 31.130 1.00 0.00 H +HETATM 1785 H5 UFX A 149 9.649 27.402 32.822 1.00 0.00 H +HETATM 1786 H6 UFX A 149 10.290 25.403 31.440 1.00 0.00 H +HETATM 1787 H7 UFX A 149 8.595 25.127 31.068 1.00 0.00 H +HETATM 1788 H8 UFX A 149 9.833 25.038 33.688 1.00 0.00 H +HETATM 1789 C1 UFX A 150 17.551 18.659 15.631 1.00 0.00 C +HETATM 1790 C2 UFX A 150 18.296 17.521 14.923 1.00 0.00 C +HETATM 1791 C3 UFX A 150 19.813 17.751 14.929 1.00 0.00 C +HETATM 1792 O1 UFX A 150 20.134 18.931 14.201 1.00 0.00 O +HETATM 1793 H1 UFX A 150 17.912 18.766 16.654 1.00 0.00 H +HETATM 1794 H2 UFX A 150 17.703 19.604 15.109 1.00 0.00 H +HETATM 1795 H3 UFX A 150 16.482 18.448 15.657 1.00 0.00 H +HETATM 1796 H4 UFX A 150 18.075 16.579 15.425 1.00 0.00 H +HETATM 1797 H5 UFX A 150 17.941 17.433 13.896 1.00 0.00 H +HETATM 1798 H6 UFX A 150 20.312 16.895 14.475 1.00 0.00 H +HETATM 1799 H7 UFX A 150 20.175 17.843 15.953 1.00 0.00 H +HETATM 1800 H8 UFX A 150 19.815 18.884 13.275 1.00 0.00 H +HETATM 1801 C1 UFX A 151 1.403 8.131 10.274 1.00 0.00 C +HETATM 1802 C2 UFX A 151 2.437 7.410 9.395 1.00 0.00 C +HETATM 1803 C3 UFX A 151 1.840 6.160 8.729 1.00 0.00 C +HETATM 1804 O1 UFX A 151 1.446 5.215 9.719 1.00 0.00 O +HETATM 1805 H1 UFX A 151 0.540 8.430 9.679 1.00 0.00 H +HETATM 1806 H2 UFX A 151 1.062 7.476 11.077 1.00 0.00 H +HETATM 1807 H3 UFX A 151 1.842 9.025 10.717 1.00 0.00 H +HETATM 1808 H4 UFX A 151 2.791 8.092 8.622 1.00 0.00 H +HETATM 1809 H5 UFX A 151 3.300 7.127 9.999 1.00 0.00 H +HETATM 1810 H6 UFX A 151 2.578 5.708 8.066 1.00 0.00 H +HETATM 1811 H7 UFX A 151 0.978 6.439 8.122 1.00 0.00 H +HETATM 1812 H8 UFX A 151 2.215 4.869 10.221 1.00 0.00 H +HETATM 1813 C1 UFX A 152 15.946 18.312 10.931 1.00 0.00 C +HETATM 1814 C2 UFX A 152 14.860 17.256 10.667 1.00 0.00 C +HETATM 1815 C3 UFX A 152 15.450 15.873 10.356 1.00 0.00 C +HETATM 1816 O1 UFX A 152 16.236 15.913 9.165 1.00 0.00 O +HETATM 1817 H1 UFX A 152 16.593 17.999 11.751 1.00 0.00 H +HETATM 1818 H2 UFX A 152 16.558 18.468 10.043 1.00 0.00 H +HETATM 1819 H3 UFX A 152 15.487 19.264 11.197 1.00 0.00 H +HETATM 1820 H4 UFX A 152 14.219 17.179 11.546 1.00 0.00 H +HETATM 1821 H5 UFX A 152 14.224 17.576 9.841 1.00 0.00 H +HETATM 1822 H6 UFX A 152 14.638 15.156 10.236 1.00 0.00 H +HETATM 1823 H7 UFX A 152 16.068 15.536 11.189 1.00 0.00 H +HETATM 1824 H8 UFX A 152 15.755 16.351 8.430 1.00 0.00 H +HETATM 1825 C1 UFX A 153 20.259 1.011 10.304 1.00 0.00 C +HETATM 1826 C2 UFX A 153 18.883 0.751 9.668 1.00 0.00 C +HETATM 1827 C3 UFX A 153 19.009 0.270 8.215 1.00 0.00 C +HETATM 1828 O1 UFX A 153 19.501 1.323 7.392 1.00 0.00 O +HETATM 1829 H1 UFX A 153 20.872 0.110 10.276 1.00 0.00 H +HETATM 1830 H2 UFX A 153 20.785 1.805 9.773 1.00 0.00 H +HETATM 1831 H3 UFX A 153 20.140 1.314 11.344 1.00 0.00 H +HETATM 1832 H4 UFX A 153 18.360 -0.009 10.250 1.00 0.00 H +HETATM 1833 H5 UFX A 153 18.279 1.658 9.707 1.00 0.00 H +HETATM 1834 H6 UFX A 153 18.033 -0.048 7.849 1.00 0.00 H +HETATM 1835 H7 UFX A 153 19.679 -0.588 8.160 1.00 0.00 H +HETATM 1836 H8 UFX A 153 18.889 2.090 7.385 1.00 0.00 H +HETATM 1837 C1 UFX A 154 20.573 1.127 22.309 1.00 0.00 C +HETATM 1838 C2 UFX A 154 19.397 0.872 23.266 1.00 0.00 C +HETATM 1839 C3 UFX A 154 19.177 -0.629 23.508 1.00 0.00 C +HETATM 1840 O1 UFX A 154 18.781 -1.265 22.295 1.00 0.00 O +HETATM 1841 H1 UFX A 154 21.495 0.723 22.727 1.00 0.00 H +HETATM 1842 H2 UFX A 154 20.395 0.659 21.340 1.00 0.00 H +HETATM 1843 H3 UFX A 154 20.709 2.197 22.154 1.00 0.00 H +HETATM 1844 H4 UFX A 154 19.600 1.363 24.218 1.00 0.00 H +HETATM 1845 H5 UFX A 154 18.487 1.313 22.862 1.00 0.00 H +HETATM 1846 H6 UFX A 154 18.398 -0.765 24.259 1.00 0.00 H +HETATM 1847 H7 UFX A 154 20.090 -1.086 23.891 1.00 0.00 H +HETATM 1848 H8 UFX A 154 17.969 -0.857 21.926 1.00 0.00 H +HETATM 1849 C1 UFX A 155 22.287 31.862 28.484 1.00 0.00 C +HETATM 1850 C2 UFX A 155 22.670 33.065 27.608 1.00 0.00 C +HETATM 1851 C3 UFX A 155 23.888 32.785 26.715 1.00 0.00 C +HETATM 1852 O1 UFX A 155 25.030 32.458 27.505 1.00 0.00 O +HETATM 1853 H1 UFX A 155 22.041 31.002 27.860 1.00 0.00 H +HETATM 1854 H2 UFX A 155 23.107 31.592 29.150 1.00 0.00 H +HETATM 1855 H3 UFX A 155 21.417 32.101 29.095 1.00 0.00 H +HETATM 1856 H4 UFX A 155 21.824 33.323 26.971 1.00 0.00 H +HETATM 1857 H5 UFX A 155 22.882 33.925 28.244 1.00 0.00 H +HETATM 1858 H6 UFX A 155 24.101 33.669 26.114 1.00 0.00 H +HETATM 1859 H7 UFX A 155 23.666 31.969 26.026 1.00 0.00 H +HETATM 1860 H8 UFX A 155 25.852 32.468 26.969 1.00 0.00 H +HETATM 1861 C1 UFX A 156 26.202 9.221 29.458 1.00 0.00 C +HETATM 1862 C2 UFX A 156 24.837 9.346 28.764 1.00 0.00 C +HETATM 1863 C3 UFX A 156 23.982 8.088 28.958 1.00 0.00 C +HETATM 1864 O1 UFX A 156 24.626 6.953 28.384 1.00 0.00 O +HETATM 1865 H1 UFX A 156 26.073 9.052 30.527 1.00 0.00 H +HETATM 1866 H2 UFX A 156 26.774 8.393 29.040 1.00 0.00 H +HETATM 1867 H3 UFX A 156 26.776 10.137 29.319 1.00 0.00 H +HETATM 1868 H4 UFX A 156 24.305 10.206 29.172 1.00 0.00 H +HETATM 1869 H5 UFX A 156 24.980 9.528 27.698 1.00 0.00 H +HETATM 1870 H6 UFX A 156 23.008 8.233 28.490 1.00 0.00 H +HETATM 1871 H7 UFX A 156 23.816 7.919 30.022 1.00 0.00 H +HETATM 1872 H8 UFX A 156 24.783 7.068 27.423 1.00 0.00 H +HETATM 1873 C1 UFX A 157 12.753 24.633 26.365 1.00 0.00 C +HETATM 1874 C2 UFX A 157 14.118 24.456 27.052 1.00 0.00 C +HETATM 1875 C3 UFX A 157 13.992 23.707 28.387 1.00 0.00 C +HETATM 1876 O1 UFX A 157 13.179 24.443 29.292 1.00 0.00 O +HETATM 1877 H1 UFX A 157 12.277 23.665 26.210 1.00 0.00 H +HETATM 1878 H2 UFX A 157 12.093 25.253 26.972 1.00 0.00 H +HETATM 1879 H3 UFX A 157 12.878 25.115 25.395 1.00 0.00 H +HETATM 1880 H4 UFX A 157 14.781 23.897 26.391 1.00 0.00 H +HETATM 1881 H5 UFX A 157 14.578 25.430 27.219 1.00 0.00 H +HETATM 1882 H6 UFX A 157 14.982 23.566 28.821 1.00 0.00 H +HETATM 1883 H7 UFX A 157 13.558 22.721 28.222 1.00 0.00 H +HETATM 1884 H8 UFX A 157 13.517 25.354 29.427 1.00 0.00 H +HETATM 1885 C1 UFX A 158 9.135 29.616 15.128 1.00 0.00 C +HETATM 1886 C2 UFX A 158 9.159 31.154 15.147 1.00 0.00 C +HETATM 1887 C3 UFX A 158 9.961 31.704 16.335 1.00 0.00 C +HETATM 1888 O1 UFX A 158 9.365 31.289 17.564 1.00 0.00 O +HETATM 1889 H1 UFX A 158 10.150 29.218 15.094 1.00 0.00 H +HETATM 1890 H2 UFX A 158 8.638 29.223 16.015 1.00 0.00 H +HETATM 1891 H3 UFX A 158 8.594 29.259 14.251 1.00 0.00 H +HETATM 1892 H4 UFX A 158 9.604 31.516 14.220 1.00 0.00 H +HETATM 1893 H5 UFX A 158 8.140 31.539 15.183 1.00 0.00 H +HETATM 1894 H6 UFX A 158 9.983 32.792 16.287 1.00 0.00 H +HETATM 1895 H7 UFX A 158 10.993 31.355 16.283 1.00 0.00 H +HETATM 1896 H8 UFX A 158 8.418 31.540 17.608 1.00 0.00 H +HETATM 1897 C1 UFX A 159 16.307 2.781 24.846 1.00 0.00 C +HETATM 1898 C2 UFX A 159 14.856 3.254 24.647 1.00 0.00 C +HETATM 1899 C3 UFX A 159 14.461 3.284 23.161 1.00 0.00 C +HETATM 1900 O1 UFX A 159 15.251 4.241 22.459 1.00 0.00 O +HETATM 1901 H1 UFX A 159 16.443 1.781 24.435 1.00 0.00 H +HETATM 1902 H2 UFX A 159 17.005 3.459 24.354 1.00 0.00 H +HETATM 1903 H3 UFX A 159 16.551 2.754 25.908 1.00 0.00 H +HETATM 1904 H4 UFX A 159 14.186 2.579 25.179 1.00 0.00 H +HETATM 1905 H5 UFX A 159 14.729 4.245 25.083 1.00 0.00 H +HETATM 1906 H6 UFX A 159 13.406 3.545 23.068 1.00 0.00 H +HETATM 1907 H7 UFX A 159 14.592 2.295 22.721 1.00 0.00 H +HETATM 1908 H8 UFX A 159 15.173 5.133 22.861 1.00 0.00 H +HETATM 1909 C1 UFX A 160 16.022 -0.330 15.269 1.00 0.00 C +HETATM 1910 C2 UFX A 160 16.417 0.769 14.266 1.00 0.00 C +HETATM 1911 C3 UFX A 160 17.934 0.806 14.007 1.00 0.00 C +HETATM 1912 O1 UFX A 160 18.628 1.170 15.200 1.00 0.00 O +HETATM 1913 H1 UFX A 160 16.315 -1.312 14.897 1.00 0.00 H +HETATM 1914 H2 UFX A 160 16.503 -0.160 16.232 1.00 0.00 H +HETATM 1915 H3 UFX A 160 14.942 -0.326 15.424 1.00 0.00 H +HETATM 1916 H4 UFX A 160 15.891 0.599 13.327 1.00 0.00 H +HETATM 1917 H5 UFX A 160 16.091 1.738 14.645 1.00 0.00 H +HETATM 1918 H6 UFX A 160 18.151 1.532 13.224 1.00 0.00 H +HETATM 1919 H7 UFX A 160 18.277 -0.163 13.643 1.00 0.00 H +HETATM 1920 H8 UFX A 160 18.342 2.048 15.532 1.00 0.00 H +HETATM 1921 C1 UFX A 161 26.188 11.976 32.088 1.00 0.00 C +HETATM 1922 C2 UFX A 161 24.994 12.761 32.648 1.00 0.00 C +HETATM 1923 C3 UFX A 161 23.693 12.407 31.914 1.00 0.00 C +HETATM 1924 O1 UFX A 161 23.714 12.963 30.599 1.00 0.00 O +HETATM 1925 H1 UFX A 161 26.021 10.905 32.205 1.00 0.00 H +HETATM 1926 H2 UFX A 161 26.326 12.191 31.028 1.00 0.00 H +HETATM 1927 H3 UFX A 161 27.101 12.243 32.621 1.00 0.00 H +HETATM 1928 H4 UFX A 161 24.882 12.524 33.706 1.00 0.00 H +HETATM 1929 H5 UFX A 161 25.184 13.832 32.579 1.00 0.00 H +HETATM 1930 H6 UFX A 161 22.842 12.808 32.465 1.00 0.00 H +HETATM 1931 H7 UFX A 161 23.573 11.325 31.866 1.00 0.00 H +HETATM 1932 H8 UFX A 161 23.800 13.940 30.621 1.00 0.00 H +HETATM 1933 C1 UFX A 162 21.048 21.949 23.685 1.00 0.00 C +HETATM 1934 C2 UFX A 162 21.901 22.501 22.530 1.00 0.00 C +HETATM 1935 C3 UFX A 162 23.137 21.633 22.246 1.00 0.00 C +HETATM 1936 O1 UFX A 162 23.937 21.487 23.415 1.00 0.00 O +HETATM 1937 H1 UFX A 162 20.714 20.935 23.465 1.00 0.00 H +HETATM 1938 H2 UFX A 162 21.621 21.939 24.613 1.00 0.00 H +HETATM 1939 H3 UFX A 162 20.171 22.578 23.838 1.00 0.00 H +HETATM 1940 H4 UFX A 162 21.288 22.556 21.630 1.00 0.00 H +HETATM 1941 H5 UFX A 162 22.217 23.518 22.760 1.00 0.00 H +HETATM 1942 H6 UFX A 162 23.729 22.092 21.453 1.00 0.00 H +HETATM 1943 H7 UFX A 162 22.826 20.649 21.895 1.00 0.00 H +HETATM 1944 H8 UFX A 162 24.203 22.353 23.791 1.00 0.00 H +HETATM 1945 C1 UFX A 163 17.427 7.048 29.919 1.00 0.00 C +HETATM 1946 C2 UFX A 163 17.507 5.527 30.135 1.00 0.00 C +HETATM 1947 C3 UFX A 163 17.757 4.780 28.817 1.00 0.00 C +HETATM 1948 O1 UFX A 163 16.635 4.904 27.947 1.00 0.00 O +HETATM 1949 H1 UFX A 163 18.352 7.417 29.476 1.00 0.00 H +HETATM 1950 H2 UFX A 163 16.599 7.301 29.257 1.00 0.00 H +HETATM 1951 H3 UFX A 163 17.275 7.557 30.871 1.00 0.00 H +HETATM 1952 H4 UFX A 163 18.325 5.313 30.822 1.00 0.00 H +HETATM 1953 H5 UFX A 163 16.588 5.165 30.596 1.00 0.00 H +HETATM 1954 H6 UFX A 163 17.939 3.724 29.020 1.00 0.00 H +HETATM 1955 H7 UFX A 163 18.651 5.179 28.337 1.00 0.00 H +HETATM 1956 H8 UFX A 163 15.827 4.506 28.334 1.00 0.00 H +HETATM 1957 C1 UFX A 164 9.253 27.363 24.851 1.00 0.00 C +HETATM 1958 C2 UFX A 164 10.094 26.710 23.747 1.00 0.00 C +HETATM 1959 C3 UFX A 164 9.212 26.229 22.590 1.00 0.00 C +HETATM 1960 O1 UFX A 164 8.431 25.104 22.989 1.00 0.00 O +HETATM 1961 H1 UFX A 164 8.740 28.244 24.463 1.00 0.00 H +HETATM 1962 H2 UFX A 164 8.504 26.666 25.227 1.00 0.00 H +HETATM 1963 H3 UFX A 164 9.889 27.672 25.681 1.00 0.00 H +HETATM 1964 H4 UFX A 164 10.812 27.439 23.370 1.00 0.00 H +HETATM 1965 H5 UFX A 164 10.660 25.874 24.159 1.00 0.00 H +HETATM 1966 H6 UFX A 164 9.836 25.955 21.739 1.00 0.00 H +HETATM 1967 H7 UFX A 164 8.558 27.039 22.265 1.00 0.00 H +HETATM 1968 H8 UFX A 164 8.978 24.293 23.070 1.00 0.00 H +HETATM 1969 C1 UFX A 165 11.667 24.906 19.211 1.00 0.00 C +HETATM 1970 C2 UFX A 165 12.970 24.391 18.574 1.00 0.00 C +HETATM 1971 C3 UFX A 165 13.049 24.725 17.076 1.00 0.00 C +HETATM 1972 O1 UFX A 165 12.081 23.978 16.345 1.00 0.00 O +HETATM 1973 H1 UFX A 165 11.552 25.977 19.044 1.00 0.00 H +HETATM 1974 H2 UFX A 165 10.802 24.396 18.786 1.00 0.00 H +HETATM 1975 H3 UFX A 165 11.675 24.726 20.286 1.00 0.00 H +HETATM 1976 H4 UFX A 165 13.819 24.846 19.086 1.00 0.00 H +HETATM 1977 H5 UFX A 165 13.050 23.313 18.716 1.00 0.00 H +HETATM 1978 H6 UFX A 165 14.044 24.487 16.699 1.00 0.00 H +HETATM 1979 H7 UFX A 165 12.888 25.793 16.924 1.00 0.00 H +HETATM 1980 H8 UFX A 165 12.281 23.017 16.357 1.00 0.00 H +HETATM 1981 C1 UFX A 166 25.336 3.790 28.835 1.00 0.00 C +HETATM 1982 C2 UFX A 166 25.580 2.293 29.085 1.00 0.00 C +HETATM 1983 C3 UFX A 166 26.686 2.058 30.125 1.00 0.00 C +HETATM 1984 O1 UFX A 166 27.919 2.617 29.679 1.00 0.00 O +HETATM 1985 H1 UFX A 166 25.119 4.303 29.772 1.00 0.00 H +HETATM 1986 H2 UFX A 166 26.210 4.255 28.380 1.00 0.00 H +HETATM 1987 H3 UFX A 166 24.489 3.931 28.164 1.00 0.00 H +HETATM 1988 H4 UFX A 166 24.657 1.835 29.440 1.00 0.00 H +HETATM 1989 H5 UFX A 166 25.845 1.800 28.150 1.00 0.00 H +HETATM 1990 H6 UFX A 166 26.809 0.987 30.287 1.00 0.00 H +HETATM 1991 H7 UFX A 166 26.403 2.505 31.078 1.00 0.00 H +HETATM 1992 H8 UFX A 166 28.150 2.314 28.775 1.00 0.00 H +HETATM 1993 C1 UFX A 167 9.983 3.694 19.765 1.00 0.00 C +HETATM 1994 C2 UFX A 167 11.269 4.154 19.061 1.00 0.00 C +HETATM 1995 C3 UFX A 167 11.829 5.442 19.677 1.00 0.00 C +HETATM 1996 O1 UFX A 167 10.976 6.550 19.388 1.00 0.00 O +HETATM 1997 H1 UFX A 167 10.168 3.520 20.825 1.00 0.00 H +HETATM 1998 H2 UFX A 167 9.199 4.446 19.665 1.00 0.00 H +HETATM 1999 H3 UFX A 167 9.624 2.766 19.320 1.00 0.00 H +HETATM 2000 H4 UFX A 167 12.019 3.367 19.145 1.00 0.00 H +HETATM 2001 H5 UFX A 167 11.081 4.301 17.998 1.00 0.00 H +HETATM 2002 H6 UFX A 167 12.817 5.636 19.260 1.00 0.00 H +HETATM 2003 H7 UFX A 167 11.943 5.323 20.754 1.00 0.00 H +HETATM 2004 H8 UFX A 167 10.891 6.693 18.421 1.00 0.00 H +HETATM 2005 C1 UFX A 168 12.318 0.468 20.037 1.00 0.00 C +HETATM 2006 C2 UFX A 168 12.593 -0.453 18.837 1.00 0.00 C +HETATM 2007 C3 UFX A 168 12.380 0.264 17.496 1.00 0.00 C +HETATM 2008 O1 UFX A 168 11.020 0.674 17.357 1.00 0.00 O +HETATM 2009 H1 UFX A 168 12.960 1.349 19.997 1.00 0.00 H +HETATM 2010 H2 UFX A 168 11.278 0.795 20.043 1.00 0.00 H +HETATM 2011 H3 UFX A 168 12.517 -0.058 20.970 1.00 0.00 H +HETATM 2012 H4 UFX A 168 13.625 -0.801 18.885 1.00 0.00 H +HETATM 2013 H5 UFX A 168 11.950 -1.332 18.890 1.00 0.00 H +HETATM 2014 H6 UFX A 168 12.642 -0.411 16.680 1.00 0.00 H +HETATM 2015 H7 UFX A 168 13.038 1.130 17.431 1.00 0.00 H +HETATM 2016 H8 UFX A 168 10.401 -0.071 17.511 1.00 0.00 H +HETATM 2017 C1 UFX A 169 23.691 32.381 6.638 1.00 0.00 C +HETATM 2018 C2 UFX A 169 22.331 32.540 5.937 1.00 0.00 C +HETATM 2019 C3 UFX A 169 21.197 31.888 6.741 1.00 0.00 C +HETATM 2020 O1 UFX A 169 21.416 30.484 6.847 1.00 0.00 O +HETATM 2021 H1 UFX A 169 23.662 32.827 7.633 1.00 0.00 H +HETATM 2022 H2 UFX A 169 23.954 31.328 6.735 1.00 0.00 H +HETATM 2023 H3 UFX A 169 24.472 32.876 6.061 1.00 0.00 H +HETATM 2024 H4 UFX A 169 22.110 33.600 5.810 1.00 0.00 H +HETATM 2025 H5 UFX A 169 22.376 32.099 4.941 1.00 0.00 H +HETATM 2026 H6 UFX A 169 20.243 32.073 6.246 1.00 0.00 H +HETATM 2027 H7 UFX A 169 21.145 32.334 7.734 1.00 0.00 H +HETATM 2028 H8 UFX A 169 21.464 30.057 5.965 1.00 0.00 H +HETATM 2029 C1 UFX A 170 2.275 10.520 16.723 1.00 0.00 C +HETATM 2030 C2 UFX A 170 2.468 12.044 16.783 1.00 0.00 C +HETATM 2031 C3 UFX A 170 3.845 12.424 17.346 1.00 0.00 C +HETATM 2032 O1 UFX A 170 3.968 11.980 18.696 1.00 0.00 O +HETATM 2033 H1 UFX A 170 3.062 10.058 16.127 1.00 0.00 H +HETATM 2034 H2 UFX A 170 2.292 10.089 17.724 1.00 0.00 H +HETATM 2035 H3 UFX A 170 1.315 10.281 16.265 1.00 0.00 H +HETATM 2036 H4 UFX A 170 2.372 12.453 15.777 1.00 0.00 H +HETATM 2037 H5 UFX A 170 1.682 12.493 17.391 1.00 0.00 H +HETATM 2038 H6 UFX A 170 3.972 13.505 17.303 1.00 0.00 H +HETATM 2039 H7 UFX A 170 4.629 11.976 16.735 1.00 0.00 H +HETATM 2040 H8 UFX A 170 3.285 12.380 19.276 1.00 0.00 H +HETATM 2041 C1 UFX A 171 6.122 21.670 13.849 1.00 0.00 C +HETATM 2042 C2 UFX A 171 5.342 22.947 13.494 1.00 0.00 C +HETATM 2043 C3 UFX A 171 4.772 22.886 12.068 1.00 0.00 C +HETATM 2044 O1 UFX A 171 5.824 22.858 11.109 1.00 0.00 O +HETATM 2045 H1 UFX A 171 5.499 20.787 13.702 1.00 0.00 H +HETATM 2046 H2 UFX A 171 7.012 21.579 13.225 1.00 0.00 H +HETATM 2047 H3 UFX A 171 6.436 21.696 14.893 1.00 0.00 H +HETATM 2048 H4 UFX A 171 4.520 23.069 14.199 1.00 0.00 H +HETATM 2049 H5 UFX A 171 5.990 23.818 13.597 1.00 0.00 H +HETATM 2050 H6 UFX A 171 4.140 23.757 11.891 1.00 0.00 H +HETATM 2051 H7 UFX A 171 4.148 21.999 11.957 1.00 0.00 H +HETATM 2052 H8 UFX A 171 6.384 23.663 11.162 1.00 0.00 H +HETATM 2053 C1 UFX A 172 18.575 21.033 26.472 1.00 0.00 C +HETATM 2054 C2 UFX A 172 17.461 21.700 27.296 1.00 0.00 C +HETATM 2055 C3 UFX A 172 16.300 20.741 27.590 1.00 0.00 C +HETATM 2056 O1 UFX A 172 15.718 20.279 26.374 1.00 0.00 O +HETATM 2057 H1 UFX A 172 18.958 20.152 26.988 1.00 0.00 H +HETATM 2058 H2 UFX A 172 18.202 20.730 25.493 1.00 0.00 H +HETATM 2059 H3 UFX A 172 19.399 21.731 26.323 1.00 0.00 H +HETATM 2060 H4 UFX A 172 17.877 22.048 28.241 1.00 0.00 H +HETATM 2061 H5 UFX A 172 17.087 22.575 26.764 1.00 0.00 H +HETATM 2062 H6 UFX A 172 15.545 21.251 28.189 1.00 0.00 H +HETATM 2063 H7 UFX A 172 16.657 19.895 28.177 1.00 0.00 H +HETATM 2064 H8 UFX A 172 15.445 21.019 25.791 1.00 0.00 H +HETATM 2065 C1 UFX A 173 9.467 9.146 29.807 1.00 0.00 C +HETATM 2066 C2 UFX A 173 9.459 8.411 31.155 1.00 0.00 C +HETATM 2067 C3 UFX A 173 8.999 6.951 31.028 1.00 0.00 C +HETATM 2068 O1 UFX A 173 7.677 6.883 30.486 1.00 0.00 O +HETATM 2069 H1 UFX A 173 10.083 8.613 29.082 1.00 0.00 H +HETATM 2070 H2 UFX A 173 8.455 9.237 29.411 1.00 0.00 H +HETATM 2071 H3 UFX A 173 9.878 10.148 29.930 1.00 0.00 H +HETATM 2072 H4 UFX A 173 10.463 8.430 31.578 1.00 0.00 H +HETATM 2073 H5 UFX A 173 8.810 8.942 31.851 1.00 0.00 H +HETATM 2074 H6 UFX A 173 9.019 6.478 32.010 1.00 0.00 H +HETATM 2075 H7 UFX A 173 9.689 6.395 30.392 1.00 0.00 H +HETATM 2076 H8 UFX A 173 7.346 5.961 30.449 1.00 0.00 H +HETATM 2077 C1 UFX A 174 5.081 26.304 28.823 1.00 0.00 C +HETATM 2078 C2 UFX A 174 4.291 26.138 27.512 1.00 0.00 C +HETATM 2079 C3 UFX A 174 5.017 26.771 26.314 1.00 0.00 C +HETATM 2080 O1 UFX A 174 5.151 28.179 26.508 1.00 0.00 O +HETATM 2081 H1 UFX A 174 6.065 25.842 28.740 1.00 0.00 H +HETATM 2082 H2 UFX A 174 5.211 27.359 29.067 1.00 0.00 H +HETATM 2083 H3 UFX A 174 4.550 25.825 29.646 1.00 0.00 H +HETATM 2084 H4 UFX A 174 4.144 25.075 27.320 1.00 0.00 H +HETATM 2085 H5 UFX A 174 3.302 26.583 27.619 1.00 0.00 H +HETATM 2086 H6 UFX A 174 4.453 26.577 25.401 1.00 0.00 H +HETATM 2087 H7 UFX A 174 6.001 26.319 26.190 1.00 0.00 H +HETATM 2088 H8 UFX A 174 4.279 28.627 26.516 1.00 0.00 H +HETATM 2089 C1 UFX A 175 9.484 28.511 7.349 1.00 0.00 C +HETATM 2090 C2 UFX A 175 10.077 29.830 6.831 1.00 0.00 C +HETATM 2091 C3 UFX A 175 11.587 29.907 7.086 1.00 0.00 C +HETATM 2092 O1 UFX A 175 11.874 29.815 8.480 1.00 0.00 O +HETATM 2093 H1 UFX A 175 9.975 27.660 6.878 1.00 0.00 H +HETATM 2094 H2 UFX A 175 9.614 28.434 8.429 1.00 0.00 H +HETATM 2095 H3 UFX A 175 8.418 28.462 7.128 1.00 0.00 H +HETATM 2096 H4 UFX A 175 9.893 29.912 5.760 1.00 0.00 H +HETATM 2097 H5 UFX A 175 9.583 30.675 7.312 1.00 0.00 H +HETATM 2098 H6 UFX A 175 11.977 30.845 6.691 1.00 0.00 H +HETATM 2099 H7 UFX A 175 12.083 29.092 6.559 1.00 0.00 H +HETATM 2100 H8 UFX A 175 12.838 29.839 8.658 1.00 0.00 H +HETATM 2101 C1 UFX A 176 10.973 6.488 16.035 1.00 0.00 C +HETATM 2102 C2 UFX A 176 11.066 7.623 15.007 1.00 0.00 C +HETATM 2103 C3 UFX A 176 12.306 7.483 14.114 1.00 0.00 C +HETATM 2104 O1 UFX A 176 13.496 7.552 14.894 1.00 0.00 O +HETATM 2105 H1 UFX A 176 10.906 5.524 15.531 1.00 0.00 H +HETATM 2106 H2 UFX A 176 11.851 6.483 16.682 1.00 0.00 H +HETATM 2107 H3 UFX A 176 10.085 6.614 16.655 1.00 0.00 H +HETATM 2108 H4 UFX A 176 10.172 7.613 14.383 1.00 0.00 H +HETATM 2109 H5 UFX A 176 11.091 8.583 15.523 1.00 0.00 H +HETATM 2110 H6 UFX A 176 12.318 8.281 13.372 1.00 0.00 H +HETATM 2111 H7 UFX A 176 12.270 6.534 13.578 1.00 0.00 H +HETATM 2112 H8 UFX A 176 13.595 8.428 15.326 1.00 0.00 H +HETATM 2113 C1 UFX A 177 6.227 17.616 29.596 1.00 0.00 C +HETATM 2114 C2 UFX A 177 7.604 18.020 29.051 1.00 0.00 C +HETATM 2115 C3 UFX A 177 7.624 19.481 28.584 1.00 0.00 C +HETATM 2116 O1 UFX A 177 6.671 19.670 27.542 1.00 0.00 O +HETATM 2117 H1 UFX A 177 5.981 18.197 30.485 1.00 0.00 H +HETATM 2118 H2 UFX A 177 5.457 17.783 28.843 1.00 0.00 H +HETATM 2119 H3 UFX A 177 6.218 16.557 29.855 1.00 0.00 H +HETATM 2120 H4 UFX A 177 8.358 17.874 29.824 1.00 0.00 H +HETATM 2121 H5 UFX A 177 7.869 17.372 28.215 1.00 0.00 H +HETATM 2122 H6 UFX A 177 8.623 19.728 28.225 1.00 0.00 H +HETATM 2123 H7 UFX A 177 7.400 20.149 29.417 1.00 0.00 H +HETATM 2124 H8 UFX A 177 6.692 18.937 26.890 1.00 0.00 H +HETATM 2125 C1 UFX A 178 28.374 28.901 13.653 1.00 0.00 C +HETATM 2126 C2 UFX A 178 28.154 29.371 12.205 1.00 0.00 C +HETATM 2127 C3 UFX A 178 29.086 28.646 11.224 1.00 0.00 C +HETATM 2128 O1 UFX A 178 30.448 28.991 11.489 1.00 0.00 O +HETATM 2129 H1 UFX A 178 28.207 27.826 13.735 1.00 0.00 H +HETATM 2130 H2 UFX A 178 29.390 29.121 13.981 1.00 0.00 H +HETATM 2131 H3 UFX A 178 27.680 29.409 14.322 1.00 0.00 H +HETATM 2132 H4 UFX A 178 27.119 29.177 11.922 1.00 0.00 H +HETATM 2133 H5 UFX A 178 28.309 30.448 12.136 1.00 0.00 H +HETATM 2134 H6 UFX A 178 28.831 28.926 10.202 1.00 0.00 H +HETATM 2135 H7 UFX A 178 28.948 27.568 11.313 1.00 0.00 H +HETATM 2136 H8 UFX A 178 30.609 29.949 11.357 1.00 0.00 H +HETATM 2137 C1 UFX A 179 29.055 16.304 15.520 1.00 0.00 C +HETATM 2138 C2 UFX A 179 30.456 16.800 15.128 1.00 0.00 C +HETATM 2139 C3 UFX A 179 30.954 16.134 13.838 1.00 0.00 C +HETATM 2140 O1 UFX A 179 31.095 14.725 14.026 1.00 0.00 O +HETATM 2141 H1 UFX A 179 28.349 16.469 14.705 1.00 0.00 H +HETATM 2142 H2 UFX A 179 29.073 15.240 15.755 1.00 0.00 H +HETATM 2143 H3 UFX A 179 28.703 16.845 16.398 1.00 0.00 H +HETATM 2144 H4 UFX A 179 30.422 17.879 14.977 1.00 0.00 H +HETATM 2145 H5 UFX A 179 31.159 16.608 15.939 1.00 0.00 H +HETATM 2146 H6 UFX A 179 31.914 16.564 13.550 1.00 0.00 H +HETATM 2147 H7 UFX A 179 30.253 16.336 13.027 1.00 0.00 H +HETATM 2148 H8 UFX A 179 31.740 14.512 14.734 1.00 0.00 H +HETATM 2149 C1 UFX A 180 9.128 3.442 31.977 1.00 0.00 C +HETATM 2150 C2 UFX A 180 8.390 2.637 30.895 1.00 0.00 C +HETATM 2151 C3 UFX A 180 7.770 3.544 29.822 1.00 0.00 C +HETATM 2152 O1 UFX A 180 6.787 4.400 30.410 1.00 0.00 O +HETATM 2153 H1 UFX A 180 9.925 4.038 31.533 1.00 0.00 H +HETATM 2154 H2 UFX A 180 8.440 4.104 32.502 1.00 0.00 H +HETATM 2155 H3 UFX A 180 9.574 2.766 32.708 1.00 0.00 H +HETATM 2156 H4 UFX A 180 9.094 1.954 30.419 1.00 0.00 H +HETATM 2157 H5 UFX A 180 7.612 2.027 31.355 1.00 0.00 H +HETATM 2158 H6 UFX A 180 7.305 2.930 29.050 1.00 0.00 H +HETATM 2159 H7 UFX A 180 8.548 4.138 29.343 1.00 0.00 H +HETATM 2160 H8 UFX A 180 6.082 3.886 30.859 1.00 0.00 H +HETATM 2161 C1 UFX A 181 22.315 9.036 2.846 1.00 0.00 C +HETATM 2162 C2 UFX A 181 23.085 10.109 3.625 1.00 0.00 C +HETATM 2163 C3 UFX A 181 22.826 11.515 3.077 1.00 0.00 C +HETATM 2164 O1 UFX A 181 23.334 11.638 1.750 1.00 0.00 O +HETATM 2165 H1 UFX A 181 21.241 9.214 2.906 1.00 0.00 H +HETATM 2166 H2 UFX A 181 22.604 9.036 1.795 1.00 0.00 H +HETATM 2167 H3 UFX A 181 22.534 8.051 3.258 1.00 0.00 H +HETATM 2168 H4 UFX A 181 22.792 10.071 4.674 1.00 0.00 H +HETATM 2169 H5 UFX A 181 24.154 9.898 3.582 1.00 0.00 H +HETATM 2170 H6 UFX A 181 23.321 12.243 3.719 1.00 0.00 H +HETATM 2171 H7 UFX A 181 21.758 11.732 3.092 1.00 0.00 H +HETATM 2172 H8 UFX A 181 23.381 12.579 1.474 1.00 0.00 H +HETATM 2173 C1 UFX A 182 28.653 16.964 19.441 1.00 0.00 C +HETATM 2174 C2 UFX A 182 30.162 16.785 19.196 1.00 0.00 C +HETATM 2175 C3 UFX A 182 30.556 15.312 19.009 1.00 0.00 C +HETATM 2176 O1 UFX A 182 30.242 14.556 20.177 1.00 0.00 O +HETATM 2177 H1 UFX A 182 28.075 16.539 18.620 1.00 0.00 H +HETATM 2178 H2 UFX A 182 28.348 16.474 20.366 1.00 0.00 H +HETATM 2179 H3 UFX A 182 28.415 18.024 19.519 1.00 0.00 H +HETATM 2180 H4 UFX A 182 30.447 17.346 18.306 1.00 0.00 H +HETATM 2181 H5 UFX A 182 30.722 17.208 20.030 1.00 0.00 H +HETATM 2182 H6 UFX A 182 31.627 15.248 18.812 1.00 0.00 H +HETATM 2183 H7 UFX A 182 30.039 14.894 18.145 1.00 0.00 H +HETATM 2184 H8 UFX A 182 30.579 14.989 20.990 1.00 0.00 H +HETATM 2185 C1 UFX A 183 4.871 22.751 19.475 1.00 0.00 C +HETATM 2186 C2 UFX A 183 3.447 22.854 20.052 1.00 0.00 C +HETATM 2187 C3 UFX A 183 2.779 24.199 19.711 1.00 0.00 C +HETATM 2188 O1 UFX A 183 3.490 25.293 20.288 1.00 0.00 O +HETATM 2189 H1 UFX A 183 4.853 22.847 18.389 1.00 0.00 H +HETATM 2190 H2 UFX A 183 5.513 23.533 19.881 1.00 0.00 H +HETATM 2191 H3 UFX A 183 5.312 21.786 19.726 1.00 0.00 H +HETATM 2192 H4 UFX A 183 2.842 22.044 19.645 1.00 0.00 H +HETATM 2193 H5 UFX A 183 3.476 22.716 21.133 1.00 0.00 H +HETATM 2194 H6 UFX A 183 1.752 24.195 20.077 1.00 0.00 H +HETATM 2195 H7 UFX A 183 2.739 24.323 18.629 1.00 0.00 H +HETATM 2196 H8 UFX A 183 3.542 25.232 21.266 1.00 0.00 H +HETATM 2197 C1 UFX A 184 19.705 17.326 9.101 1.00 0.00 C +HETATM 2198 C2 UFX A 184 20.549 18.536 9.541 1.00 0.00 C +HETATM 2199 C3 UFX A 184 20.627 18.649 11.070 1.00 0.00 C +HETATM 2200 O1 UFX A 184 19.332 18.906 11.613 1.00 0.00 O +HETATM 2201 H1 UFX A 184 20.147 16.400 9.468 1.00 0.00 H +HETATM 2202 H2 UFX A 184 18.689 17.402 9.489 1.00 0.00 H +HETATM 2203 H3 UFX A 184 19.656 17.277 8.013 1.00 0.00 H +HETATM 2204 H4 UFX A 184 21.558 18.432 9.141 1.00 0.00 H +HETATM 2205 H5 UFX A 184 20.131 19.454 9.129 1.00 0.00 H +HETATM 2206 H6 UFX A 184 21.304 19.459 11.343 1.00 0.00 H +HETATM 2207 H7 UFX A 184 21.030 17.729 11.492 1.00 0.00 H +HETATM 2208 H8 UFX A 184 18.945 19.736 11.260 1.00 0.00 H +HETATM 2209 C1 UFX A 185 9.173 14.686 23.937 1.00 0.00 C +HETATM 2210 C2 UFX A 185 9.547 15.557 25.144 1.00 0.00 C +HETATM 2211 C3 UFX A 185 8.956 15.015 26.453 1.00 0.00 C +HETATM 2212 O1 UFX A 185 7.531 15.035 26.404 1.00 0.00 O +HETATM 2213 H1 UFX A 185 9.484 13.654 24.097 1.00 0.00 H +HETATM 2214 H2 UFX A 185 8.096 14.709 23.766 1.00 0.00 H +HETATM 2215 H3 UFX A 185 9.669 15.059 23.040 1.00 0.00 H +HETATM 2216 H4 UFX A 185 10.632 15.589 25.237 1.00 0.00 H +HETATM 2217 H5 UFX A 185 9.201 16.577 24.976 1.00 0.00 H +HETATM 2218 H6 UFX A 185 9.303 15.623 27.288 1.00 0.00 H +HETATM 2219 H7 UFX A 185 9.305 13.997 26.623 1.00 0.00 H +HETATM 2220 H8 UFX A 185 7.188 15.934 26.214 1.00 0.00 H +HETATM 2221 C1 UFX A 186 25.548 31.274 23.636 1.00 0.00 C +HETATM 2222 C2 UFX A 186 26.570 31.385 22.492 1.00 0.00 C +HETATM 2223 C3 UFX A 186 27.859 32.099 22.931 1.00 0.00 C +HETATM 2224 O1 UFX A 186 27.581 33.402 23.451 1.00 0.00 O +HETATM 2225 H1 UFX A 186 25.975 30.747 24.489 1.00 0.00 H +HETATM 2226 H2 UFX A 186 25.226 32.263 23.961 1.00 0.00 H +HETATM 2227 H3 UFX A 186 24.667 30.726 23.300 1.00 0.00 H +HETATM 2228 H4 UFX A 186 26.822 30.385 22.137 1.00 0.00 H +HETATM 2229 H5 UFX A 186 26.121 31.917 21.653 1.00 0.00 H +HETATM 2230 H6 UFX A 186 28.542 32.178 22.085 1.00 0.00 H +HETATM 2231 H7 UFX A 186 28.360 31.502 23.694 1.00 0.00 H +HETATM 2232 H8 UFX A 186 27.273 34.020 22.754 1.00 0.00 H +HETATM 2233 C1 UFX A 187 12.853 15.679 15.387 1.00 0.00 C +HETATM 2234 C2 UFX A 187 13.176 15.244 13.950 1.00 0.00 C +HETATM 2235 C3 UFX A 187 14.617 14.733 13.812 1.00 0.00 C +HETATM 2236 O1 UFX A 187 15.556 15.729 14.210 1.00 0.00 O +HETATM 2237 H1 UFX A 187 13.031 14.862 16.086 1.00 0.00 H +HETATM 2238 H2 UFX A 187 13.473 16.530 15.670 1.00 0.00 H +HETATM 2239 H3 UFX A 187 11.809 15.982 15.467 1.00 0.00 H +HETATM 2240 H4 UFX A 187 12.490 14.451 13.649 1.00 0.00 H +HETATM 2241 H5 UFX A 187 13.018 16.082 13.270 1.00 0.00 H +HETATM 2242 H6 UFX A 187 14.803 14.449 12.776 1.00 0.00 H +HETATM 2243 H7 UFX A 187 14.749 13.838 14.419 1.00 0.00 H +HETATM 2244 H8 UFX A 187 15.442 16.564 13.707 1.00 0.00 H +HETATM 2245 C1 UFX A 188 1.635 21.369 10.363 1.00 0.00 C +HETATM 2246 C2 UFX A 188 0.736 20.343 9.652 1.00 0.00 C +HETATM 2247 C3 UFX A 188 0.103 20.912 8.374 1.00 0.00 C +HETATM 2248 O1 UFX A 188 -0.741 22.017 8.693 1.00 0.00 O +HETATM 2249 H1 UFX A 188 2.456 21.676 9.716 1.00 0.00 H +HETATM 2250 H2 UFX A 188 1.065 22.254 10.648 1.00 0.00 H +HETATM 2251 H3 UFX A 188 2.059 20.933 11.268 1.00 0.00 H +HETATM 2252 H4 UFX A 188 1.332 19.466 9.396 1.00 0.00 H +HETATM 2253 H5 UFX A 188 -0.048 20.010 10.332 1.00 0.00 H +HETATM 2254 H6 UFX A 188 -0.481 20.136 7.879 1.00 0.00 H +HETATM 2255 H7 UFX A 188 0.882 21.226 7.678 1.00 0.00 H +HETATM 2256 H8 UFX A 188 -1.435 21.766 9.340 1.00 0.00 H +HETATM 2257 C1 UFX A 189 16.226 12.024 30.666 1.00 0.00 C +HETATM 2258 C2 UFX A 189 16.858 12.645 31.924 1.00 0.00 C +HETATM 2259 C3 UFX A 189 15.915 13.654 32.597 1.00 0.00 C +HETATM 2260 O1 UFX A 189 15.602 14.720 31.704 1.00 0.00 O +HETATM 2261 H1 UFX A 189 15.273 11.553 30.908 1.00 0.00 H +HETATM 2262 H2 UFX A 189 16.057 12.785 29.904 1.00 0.00 H +HETATM 2263 H3 UFX A 189 16.885 11.261 30.250 1.00 0.00 H +HETATM 2264 H4 UFX A 189 17.094 11.851 32.634 1.00 0.00 H +HETATM 2265 H5 UFX A 189 17.795 13.138 31.663 1.00 0.00 H +HETATM 2266 H6 UFX A 189 16.387 14.057 33.494 1.00 0.00 H +HETATM 2267 H7 UFX A 189 14.998 13.154 32.908 1.00 0.00 H +HETATM 2268 H8 UFX A 189 16.395 15.245 31.464 1.00 0.00 H +HETATM 2269 C1 UFX A 190 18.108 9.850 13.410 1.00 0.00 C +HETATM 2270 C2 UFX A 190 19.517 9.622 13.981 1.00 0.00 C +HETATM 2271 C3 UFX A 190 19.734 10.407 15.285 1.00 0.00 C +HETATM 2272 O1 UFX A 190 19.759 11.810 15.020 1.00 0.00 O +HETATM 2273 H1 UFX A 190 17.356 9.449 14.090 1.00 0.00 H +HETATM 2274 H2 UFX A 190 17.919 10.912 13.256 1.00 0.00 H +HETATM 2275 H3 UFX A 190 18.002 9.344 12.450 1.00 0.00 H +HETATM 2276 H4 UFX A 190 19.656 8.558 14.173 1.00 0.00 H +HETATM 2277 H5 UFX A 190 20.265 9.920 13.246 1.00 0.00 H +HETATM 2278 H6 UFX A 190 20.683 10.110 15.733 1.00 0.00 H +HETATM 2279 H7 UFX A 190 18.945 10.170 15.998 1.00 0.00 H +HETATM 2280 H8 UFX A 190 20.492 12.041 14.410 1.00 0.00 H +HETATM 2281 C1 UFX A 191 7.983 24.521 8.479 1.00 0.00 C +HETATM 2282 C2 UFX A 191 8.499 25.717 9.289 1.00 0.00 C +HETATM 2283 C3 UFX A 191 8.520 25.422 10.792 1.00 0.00 C +HETATM 2284 O1 UFX A 191 7.200 25.161 11.261 1.00 0.00 O +HETATM 2285 H1 UFX A 191 8.610 23.645 8.642 1.00 0.00 H +HETATM 2286 H2 UFX A 191 6.959 24.276 8.762 1.00 0.00 H +HETATM 2287 H3 UFX A 191 7.996 24.763 7.416 1.00 0.00 H +HETATM 2288 H4 UFX A 191 9.509 25.961 8.960 1.00 0.00 H +HETATM 2289 H5 UFX A 191 7.872 26.588 9.098 1.00 0.00 H +HETATM 2290 H6 UFX A 191 8.930 26.279 11.326 1.00 0.00 H +HETATM 2291 H7 UFX A 191 9.166 24.566 10.993 1.00 0.00 H +HETATM 2292 H8 UFX A 191 6.617 25.941 11.139 1.00 0.00 H +HETATM 2293 C1 UFX A 192 25.793 14.177 19.513 1.00 0.00 C +HETATM 2294 C2 UFX A 192 26.694 13.640 18.389 1.00 0.00 C +HETATM 2295 C3 UFX A 192 26.468 12.141 18.130 1.00 0.00 C +HETATM 2296 O1 UFX A 192 26.762 11.392 19.313 1.00 0.00 O +HETATM 2297 H1 UFX A 192 24.742 14.070 19.244 1.00 0.00 H +HETATM 2298 H2 UFX A 192 25.975 13.641 20.444 1.00 0.00 H +HETATM 2299 H3 UFX A 192 26.001 15.233 19.686 1.00 0.00 H +HETATM 2300 H4 UFX A 192 26.503 14.197 17.471 1.00 0.00 H +HETATM 2301 H5 UFX A 192 27.739 13.813 18.650 1.00 0.00 H +HETATM 2302 H6 UFX A 192 27.117 11.812 17.318 1.00 0.00 H +HETATM 2303 H7 UFX A 192 25.440 11.967 17.811 1.00 0.00 H +HETATM 2304 H8 UFX A 192 27.674 11.580 19.623 1.00 0.00 H +HETATM 2305 C1 UFX A 193 26.520 22.513 27.457 1.00 0.00 C +HETATM 2306 C2 UFX A 193 27.941 23.018 27.162 1.00 0.00 C +HETATM 2307 C3 UFX A 193 27.946 24.428 26.550 1.00 0.00 C +HETATM 2308 O1 UFX A 193 27.279 24.439 25.290 1.00 0.00 O +HETATM 2309 H1 UFX A 193 25.987 23.221 28.092 1.00 0.00 H +HETATM 2310 H2 UFX A 193 25.961 22.376 26.530 1.00 0.00 H +HETATM 2311 H3 UFX A 193 26.562 21.553 27.971 1.00 0.00 H +HETATM 2312 H4 UFX A 193 28.511 23.038 28.090 1.00 0.00 H +HETATM 2313 H5 UFX A 193 28.443 22.325 26.486 1.00 0.00 H +HETATM 2314 H6 UFX A 193 28.977 24.754 26.414 1.00 0.00 H +HETATM 2315 H7 UFX A 193 27.466 25.134 27.227 1.00 0.00 H +HETATM 2316 H8 UFX A 193 27.448 25.274 24.804 1.00 0.00 H +HETATM 2317 C1 UFX A 194 0.216 15.591 28.838 1.00 0.00 C +HETATM 2318 C2 UFX A 194 1.341 16.595 28.539 1.00 0.00 C +HETATM 2319 C3 UFX A 194 2.729 15.988 28.782 1.00 0.00 C +HETATM 2320 O1 UFX A 194 2.872 15.590 30.143 1.00 0.00 O +HETATM 2321 H1 UFX A 194 0.343 14.687 28.242 1.00 0.00 H +HETATM 2322 H2 UFX A 194 0.218 15.312 29.892 1.00 0.00 H +HETATM 2323 H3 UFX A 194 -0.754 16.030 28.602 1.00 0.00 H +HETATM 2324 H4 UFX A 194 1.272 16.912 27.498 1.00 0.00 H +HETATM 2325 H5 UFX A 194 1.215 17.485 29.155 1.00 0.00 H +HETATM 2326 H6 UFX A 194 3.492 16.727 28.536 1.00 0.00 H +HETATM 2327 H7 UFX A 194 2.882 15.130 28.127 1.00 0.00 H +HETATM 2328 H8 UFX A 194 2.709 16.334 30.762 1.00 0.00 H +HETATM 2329 C1 UFX A 195 4.945 11.635 24.873 1.00 0.00 C +HETATM 2330 C2 UFX A 195 6.422 11.903 24.535 1.00 0.00 C +HETATM 2331 C3 UFX A 195 7.350 11.578 25.716 1.00 0.00 C +HETATM 2332 O1 UFX A 195 7.026 12.385 26.844 1.00 0.00 O +HETATM 2333 H1 UFX A 195 4.804 10.599 25.182 1.00 0.00 H +HETATM 2334 H2 UFX A 195 4.610 12.291 25.677 1.00 0.00 H +HETATM 2335 H3 UFX A 195 4.317 11.825 24.003 1.00 0.00 H +HETATM 2336 H4 UFX A 195 6.710 11.295 23.678 1.00 0.00 H +HETATM 2337 H5 UFX A 195 6.546 12.948 24.248 1.00 0.00 H +HETATM 2338 H6 UFX A 195 8.387 11.753 25.426 1.00 0.00 H +HETATM 2339 H7 UFX A 195 7.256 10.524 25.979 1.00 0.00 H +HETATM 2340 H8 UFX A 195 7.135 13.342 26.653 1.00 0.00 H +HETATM 2341 C1 UFX A 196 5.283 27.046 7.025 1.00 0.00 C +HETATM 2342 C2 UFX A 196 5.527 27.827 5.724 1.00 0.00 C +HETATM 2343 C3 UFX A 196 5.564 26.906 4.494 1.00 0.00 C +HETATM 2344 O1 UFX A 196 6.669 26.007 4.576 1.00 0.00 O +HETATM 2345 H1 UFX A 196 4.329 26.520 6.980 1.00 0.00 H +HETATM 2346 H2 UFX A 196 6.076 26.317 7.191 1.00 0.00 H +HETATM 2347 H3 UFX A 196 5.261 27.727 7.876 1.00 0.00 H +HETATM 2348 H4 UFX A 196 4.731 28.561 5.596 1.00 0.00 H +HETATM 2349 H5 UFX A 196 6.465 28.379 5.797 1.00 0.00 H +HETATM 2350 H6 UFX A 196 5.651 27.507 3.590 1.00 0.00 H +HETATM 2351 H7 UFX A 196 4.633 26.342 4.425 1.00 0.00 H +HETATM 2352 H8 UFX A 196 7.526 26.482 4.632 1.00 0.00 H +HETATM 2353 C1 UFX A 197 11.821 11.502 22.620 1.00 0.00 C +HETATM 2354 C2 UFX A 197 13.341 11.456 22.851 1.00 0.00 C +HETATM 2355 C3 UFX A 197 13.996 12.826 22.622 1.00 0.00 C +HETATM 2356 O1 UFX A 197 13.869 13.218 21.255 1.00 0.00 O +HETATM 2357 H1 UFX A 197 11.355 12.238 23.276 1.00 0.00 H +HETATM 2358 H2 UFX A 197 11.588 11.764 21.588 1.00 0.00 H +HETATM 2359 H3 UFX A 197 11.377 10.528 22.825 1.00 0.00 H +HETATM 2360 H4 UFX A 197 13.532 11.139 23.876 1.00 0.00 H +HETATM 2361 H5 UFX A 197 13.792 10.715 22.191 1.00 0.00 H +HETATM 2362 H6 UFX A 197 15.052 12.773 22.890 1.00 0.00 H +HETATM 2363 H7 UFX A 197 13.532 13.573 23.267 1.00 0.00 H +HETATM 2364 H8 UFX A 197 14.233 12.540 20.647 1.00 0.00 H +HETATM 2365 C1 UFX A 198 21.938 24.787 6.889 1.00 0.00 C +HETATM 2366 C2 UFX A 198 23.027 25.003 7.950 1.00 0.00 C +HETATM 2367 C3 UFX A 198 22.762 26.256 8.793 1.00 0.00 C +HETATM 2368 O1 UFX A 198 22.724 27.421 7.968 1.00 0.00 O +HETATM 2369 H1 UFX A 198 20.960 24.684 7.360 1.00 0.00 H +HETATM 2370 H2 UFX A 198 21.904 25.623 6.190 1.00 0.00 H +HETATM 2371 H3 UFX A 198 22.147 23.883 6.317 1.00 0.00 H +HETATM 2372 H4 UFX A 198 23.063 24.134 8.608 1.00 0.00 H +HETATM 2373 H5 UFX A 198 24.002 25.082 7.468 1.00 0.00 H +HETATM 2374 H6 UFX A 198 23.555 26.364 9.533 1.00 0.00 H +HETATM 2375 H7 UFX A 198 21.820 26.151 9.331 1.00 0.00 H +HETATM 2376 H8 UFX A 198 23.504 27.472 7.373 1.00 0.00 H +HETATM 2377 C1 UFX A 199 17.270 26.743 11.750 1.00 0.00 C +HETATM 2378 C2 UFX A 199 17.955 26.139 12.987 1.00 0.00 C +HETATM 2379 C3 UFX A 199 19.432 26.549 13.058 1.00 0.00 C +HETATM 2380 O1 UFX A 199 20.176 25.939 12.005 1.00 0.00 O +HETATM 2381 H1 UFX A 199 17.313 27.832 11.792 1.00 0.00 H +HETATM 2382 H2 UFX A 199 17.764 26.415 10.836 1.00 0.00 H +HETATM 2383 H3 UFX A 199 16.224 26.436 11.708 1.00 0.00 H +HETATM 2384 H4 UFX A 199 17.444 26.490 13.883 1.00 0.00 H +HETATM 2385 H5 UFX A 199 17.876 25.052 12.971 1.00 0.00 H +HETATM 2386 H6 UFX A 199 19.851 26.245 14.018 1.00 0.00 H +HETATM 2387 H7 UFX A 199 19.519 27.634 12.992 1.00 0.00 H +HETATM 2388 H8 UFX A 199 21.081 26.314 11.955 1.00 0.00 H +HETATM 2389 C1 UFX A 200 17.210 13.392 25.259 1.00 0.00 C +HETATM 2390 C2 UFX A 200 16.616 13.200 26.666 1.00 0.00 C +HETATM 2391 C3 UFX A 200 15.217 12.565 26.621 1.00 0.00 C +HETATM 2392 O1 UFX A 200 14.313 13.413 25.914 1.00 0.00 O +HETATM 2393 H1 UFX A 200 17.259 12.440 24.730 1.00 0.00 H +HETATM 2394 H2 UFX A 200 16.602 14.083 24.675 1.00 0.00 H +HETATM 2395 H3 UFX A 200 18.219 13.798 25.330 1.00 0.00 H +HETATM 2396 H4 UFX A 200 17.278 12.562 27.250 1.00 0.00 H +HETATM 2397 H5 UFX A 200 16.564 14.161 27.178 1.00 0.00 H +HETATM 2398 H6 UFX A 200 14.855 12.410 27.637 1.00 0.00 H +HETATM 2399 H7 UFX A 200 15.266 11.589 26.137 1.00 0.00 H +HETATM 2400 H8 UFX A 200 14.292 14.318 26.292 1.00 0.00 H +HETATM 2401 C1 UFX A 201 22.558 31.229 12.174 1.00 0.00 C +HETATM 2402 C2 UFX A 201 23.704 30.857 11.218 1.00 0.00 C +HETATM 2403 C3 UFX A 201 23.192 30.339 9.865 1.00 0.00 C +HETATM 2404 O1 UFX A 201 22.431 29.143 10.037 1.00 0.00 O +HETATM 2405 H1 UFX A 201 21.948 32.025 11.746 1.00 0.00 H +HETATM 2406 H2 UFX A 201 21.922 30.366 12.374 1.00 0.00 H +HETATM 2407 H3 UFX A 201 22.962 31.583 13.122 1.00 0.00 H +HETATM 2408 H4 UFX A 201 24.327 31.736 11.050 1.00 0.00 H +HETATM 2409 H5 UFX A 201 24.337 30.100 11.681 1.00 0.00 H +HETATM 2410 H6 UFX A 201 24.043 30.135 9.214 1.00 0.00 H +HETATM 2411 H7 UFX A 201 22.584 31.101 9.376 1.00 0.00 H +HETATM 2412 H8 UFX A 201 22.299 28.678 9.183 1.00 0.00 H +HETATM 2413 C1 UFX A 202 28.997 31.024 30.266 1.00 0.00 C +HETATM 2414 C2 UFX A 202 30.481 30.712 30.530 1.00 0.00 C +HETATM 2415 C3 UFX A 202 30.680 29.292 31.080 1.00 0.00 C +HETATM 2416 O1 UFX A 202 30.043 29.158 32.348 1.00 0.00 O +HETATM 2417 H1 UFX A 202 28.583 30.330 29.535 1.00 0.00 H +HETATM 2418 H2 UFX A 202 28.416 30.952 31.186 1.00 0.00 H +HETATM 2419 H3 UFX A 202 28.892 32.038 29.879 1.00 0.00 H +HETATM 2420 H4 UFX A 202 31.038 30.815 29.599 1.00 0.00 H +HETATM 2421 H5 UFX A 202 30.890 31.438 31.233 1.00 0.00 H +HETATM 2422 H6 UFX A 202 31.746 29.087 31.184 1.00 0.00 H +HETATM 2423 H7 UFX A 202 30.274 28.561 30.380 1.00 0.00 H +HETATM 2424 H8 UFX A 202 30.362 29.826 32.992 1.00 0.00 H +HETATM 2425 C1 UFX A 203 13.394 3.653 15.239 1.00 0.00 C +HETATM 2426 C2 UFX A 203 12.713 2.479 14.516 1.00 0.00 C +HETATM 2427 C3 UFX A 203 11.188 2.653 14.431 1.00 0.00 C +HETATM 2428 O1 UFX A 203 10.607 2.801 15.729 1.00 0.00 O +HETATM 2429 H1 UFX A 203 13.183 4.591 14.727 1.00 0.00 H +HETATM 2430 H2 UFX A 203 13.041 3.728 16.268 1.00 0.00 H +HETATM 2431 H3 UFX A 203 14.474 3.508 15.258 1.00 0.00 H +HETATM 2432 H4 UFX A 203 13.118 2.398 13.507 1.00 0.00 H +HETATM 2433 H5 UFX A 203 12.949 1.545 15.027 1.00 0.00 H +HETATM 2434 H6 UFX A 203 10.750 1.788 13.931 1.00 0.00 H +HETATM 2435 H7 UFX A 203 10.952 3.530 13.828 1.00 0.00 H +HETATM 2436 H8 UFX A 203 10.819 2.044 16.316 1.00 0.00 H +HETATM 2437 C1 UFX A 204 9.650 23.270 5.127 1.00 0.00 C +HETATM 2438 C2 UFX A 204 10.745 23.431 6.193 1.00 0.00 C +HETATM 2439 C3 UFX A 204 12.146 23.254 5.589 1.00 0.00 C +HETATM 2440 O1 UFX A 204 12.317 21.923 5.100 1.00 0.00 O +HETATM 2441 H1 UFX A 204 9.805 23.973 4.309 1.00 0.00 H +HETATM 2442 H2 UFX A 204 9.665 22.263 4.711 1.00 0.00 H +HETATM 2443 H3 UFX A 204 8.665 23.443 5.561 1.00 0.00 H +HETATM 2444 H4 UFX A 204 10.671 24.423 6.639 1.00 0.00 H +HETATM 2445 H5 UFX A 204 10.594 22.704 6.991 1.00 0.00 H +HETATM 2446 H6 UFX A 204 12.897 23.461 6.351 1.00 0.00 H +HETATM 2447 H7 UFX A 204 12.295 23.968 4.779 1.00 0.00 H +HETATM 2448 H8 UFX A 204 13.168 21.821 4.623 1.00 0.00 H +HETATM 2449 C1 UFX A 205 16.577 23.466 21.125 1.00 0.00 C +HETATM 2450 C2 UFX A 205 17.308 22.729 22.261 1.00 0.00 C +HETATM 2451 C3 UFX A 205 17.049 21.214 22.237 1.00 0.00 C +HETATM 2452 O1 UFX A 205 15.651 20.944 22.343 1.00 0.00 O +HETATM 2453 H1 UFX A 205 16.859 23.053 20.156 1.00 0.00 H +HETATM 2454 H2 UFX A 205 15.496 23.378 21.239 1.00 0.00 H +HETATM 2455 H3 UFX A 205 16.836 24.524 21.139 1.00 0.00 H +HETATM 2456 H4 UFX A 205 18.380 22.904 22.168 1.00 0.00 H +HETATM 2457 H5 UFX A 205 16.996 23.138 23.222 1.00 0.00 H +HETATM 2458 H6 UFX A 205 17.578 20.743 23.065 1.00 0.00 H +HETATM 2459 H7 UFX A 205 17.442 20.782 21.316 1.00 0.00 H +HETATM 2460 H8 UFX A 205 15.473 19.987 22.470 1.00 0.00 H +HETATM 2461 C1 UFX A 206 13.152 21.569 32.079 1.00 0.00 C +HETATM 2462 C2 UFX A 206 11.829 20.939 32.543 1.00 0.00 C +HETATM 2463 C3 UFX A 206 10.953 21.949 33.296 1.00 0.00 C +HETATM 2464 O1 UFX A 206 11.573 22.340 34.523 1.00 0.00 O +HETATM 2465 H1 UFX A 206 12.963 22.426 31.432 1.00 0.00 H +HETATM 2466 H2 UFX A 206 13.741 21.902 32.934 1.00 0.00 H +HETATM 2467 H3 UFX A 206 13.741 20.841 31.521 1.00 0.00 H +HETATM 2468 H4 UFX A 206 11.283 20.579 31.670 1.00 0.00 H +HETATM 2469 H5 UFX A 206 12.030 20.077 33.178 1.00 0.00 H +HETATM 2470 H6 UFX A 206 9.979 21.507 33.505 1.00 0.00 H +HETATM 2471 H7 UFX A 206 10.787 22.823 32.666 1.00 0.00 H +HETATM 2472 H8 UFX A 206 11.628 21.596 35.160 1.00 0.00 H +HETATM 2473 C1 UFX A 207 11.063 9.813 26.096 1.00 0.00 C +HETATM 2474 C2 UFX A 207 11.894 10.604 27.118 1.00 0.00 C +HETATM 2475 C3 UFX A 207 11.407 12.053 27.225 1.00 0.00 C +HETATM 2476 O1 UFX A 207 11.674 12.759 26.016 1.00 0.00 O +HETATM 2477 H1 UFX A 207 10.010 9.816 26.379 1.00 0.00 H +HETATM 2478 H2 UFX A 207 11.155 10.257 25.105 1.00 0.00 H +HETATM 2479 H3 UFX A 207 11.405 8.779 26.042 1.00 0.00 H +HETATM 2480 H4 UFX A 207 11.802 10.132 28.096 1.00 0.00 H +HETATM 2481 H5 UFX A 207 12.948 10.582 26.841 1.00 0.00 H +HETATM 2482 H6 UFX A 207 11.907 12.550 28.056 1.00 0.00 H +HETATM 2483 H7 UFX A 207 10.337 12.062 27.431 1.00 0.00 H +HETATM 2484 H8 UFX A 207 12.636 12.847 25.845 1.00 0.00 H +HETATM 2485 C1 UFX A 208 11.801 27.386 10.950 1.00 0.00 C +HETATM 2486 C2 UFX A 208 12.033 26.475 12.168 1.00 0.00 C +HETATM 2487 C3 UFX A 208 12.347 27.285 13.432 1.00 0.00 C +HETATM 2488 O1 UFX A 208 13.629 27.902 13.309 1.00 0.00 O +HETATM 2489 H1 UFX A 208 10.966 28.062 11.131 1.00 0.00 H +HETATM 2490 H2 UFX A 208 12.689 27.982 10.738 1.00 0.00 H +HETATM 2491 H3 UFX A 208 11.573 26.788 10.068 1.00 0.00 H +HETATM 2492 H4 UFX A 208 11.137 25.878 12.339 1.00 0.00 H +HETATM 2493 H5 UFX A 208 12.848 25.780 11.966 1.00 0.00 H +HETATM 2494 H6 UFX A 208 12.340 26.626 14.300 1.00 0.00 H +HETATM 2495 H7 UFX A 208 11.580 28.043 13.588 1.00 0.00 H +HETATM 2496 H8 UFX A 208 14.346 27.236 13.240 1.00 0.00 H +HETATM 2497 C1 UFX A 209 12.952 29.202 16.494 1.00 0.00 C +HETATM 2498 C2 UFX A 209 14.159 29.914 17.127 1.00 0.00 C +HETATM 2499 C3 UFX A 209 13.880 31.403 17.378 1.00 0.00 C +HETATM 2500 O1 UFX A 209 13.661 32.082 16.144 1.00 0.00 O +HETATM 2501 H1 UFX A 209 12.074 29.288 17.135 1.00 0.00 H +HETATM 2502 H2 UFX A 209 12.717 29.634 15.521 1.00 0.00 H +HETATM 2503 H3 UFX A 209 13.172 28.144 16.352 1.00 0.00 H +HETATM 2504 H4 UFX A 209 14.401 29.431 18.074 1.00 0.00 H +HETATM 2505 H5 UFX A 209 15.030 29.806 16.479 1.00 0.00 H +HETATM 2506 H6 UFX A 209 14.730 31.851 17.893 1.00 0.00 H +HETATM 2507 H7 UFX A 209 13.007 31.514 18.021 1.00 0.00 H +HETATM 2508 H8 UFX A 209 14.426 31.988 15.537 1.00 0.00 H +HETATM 2509 C1 UFX A 210 31.682 24.153 16.412 1.00 0.00 C +HETATM 2510 C2 UFX A 210 32.142 25.615 16.554 1.00 0.00 C +HETATM 2511 C3 UFX A 210 30.954 26.582 16.644 1.00 0.00 C +HETATM 2512 O1 UFX A 210 30.170 26.527 15.455 1.00 0.00 O +HETATM 2513 H1 UFX A 210 31.060 23.863 17.259 1.00 0.00 H +HETATM 2514 H2 UFX A 210 31.107 24.016 15.495 1.00 0.00 H +HETATM 2515 H3 UFX A 210 32.546 23.489 16.376 1.00 0.00 H +HETATM 2516 H4 UFX A 210 32.749 25.712 17.455 1.00 0.00 H +HETATM 2517 H5 UFX A 210 32.775 25.888 15.710 1.00 0.00 H +HETATM 2518 H6 UFX A 210 31.321 27.598 16.792 1.00 0.00 H +HETATM 2519 H7 UFX A 210 30.337 26.324 17.505 1.00 0.00 H +HETATM 2520 H8 UFX A 210 30.693 26.770 14.661 1.00 0.00 H +HETATM 2521 C1 UFX A 211 4.527 9.535 12.311 1.00 0.00 C +HETATM 2522 C2 UFX A 211 5.955 9.219 12.784 1.00 0.00 C +HETATM 2523 C3 UFX A 211 6.128 7.732 13.127 1.00 0.00 C +HETATM 2524 O1 UFX A 211 5.314 7.388 14.246 1.00 0.00 O +HETATM 2525 H1 UFX A 211 4.273 8.929 11.441 1.00 0.00 H +HETATM 2526 H2 UFX A 211 3.807 9.335 13.104 1.00 0.00 H +HETATM 2527 H3 UFX A 211 4.448 10.587 12.034 1.00 0.00 H +HETATM 2528 H4 UFX A 211 6.658 9.487 11.995 1.00 0.00 H +HETATM 2529 H5 UFX A 211 6.196 9.827 13.656 1.00 0.00 H +HETATM 2530 H6 UFX A 211 7.174 7.529 13.357 1.00 0.00 H +HETATM 2531 H7 UFX A 211 5.860 7.119 12.266 1.00 0.00 H +HETATM 2532 H8 UFX A 211 5.584 7.872 15.056 1.00 0.00 H +HETATM 2533 C1 UFX A 212 25.200 26.929 5.267 1.00 0.00 C +HETATM 2534 C2 UFX A 212 25.706 25.712 4.475 1.00 0.00 C +HETATM 2535 C3 UFX A 212 24.705 25.280 3.391 1.00 0.00 C +HETATM 2536 O1 UFX A 212 23.517 24.742 3.976 1.00 0.00 O +HETATM 2537 H1 UFX A 212 25.079 27.790 4.609 1.00 0.00 H +HETATM 2538 H2 UFX A 212 24.237 26.711 5.728 1.00 0.00 H +HETATM 2539 H3 UFX A 212 25.908 27.193 6.053 1.00 0.00 H +HETATM 2540 H4 UFX A 212 26.656 25.965 4.004 1.00 0.00 H +HETATM 2541 H5 UFX A 212 25.889 24.878 5.152 1.00 0.00 H +HETATM 2542 H6 UFX A 212 25.163 24.529 2.747 1.00 0.00 H +HETATM 2543 H7 UFX A 212 24.453 26.136 2.763 1.00 0.00 H +HETATM 2544 H8 UFX A 212 23.671 23.875 4.407 1.00 0.00 H +HETATM 2545 C1 UFX A 213 18.830 32.054 11.480 1.00 0.00 C +HETATM 2546 C2 UFX A 213 19.304 31.660 10.070 1.00 0.00 C +HETATM 2547 C3 UFX A 213 19.033 30.178 9.771 1.00 0.00 C +HETATM 2548 O1 UFX A 213 19.753 29.346 10.677 1.00 0.00 O +HETATM 2549 H1 UFX A 213 17.757 31.888 11.582 1.00 0.00 H +HETATM 2550 H2 UFX A 213 19.346 31.465 12.239 1.00 0.00 H +HETATM 2551 H3 UFX A 213 19.039 33.107 11.668 1.00 0.00 H +HETATM 2552 H4 UFX A 213 18.783 32.272 9.333 1.00 0.00 H +HETATM 2553 H5 UFX A 213 20.369 31.865 9.967 1.00 0.00 H +HETATM 2554 H6 UFX A 213 19.327 29.947 8.747 1.00 0.00 H +HETATM 2555 H7 UFX A 213 17.965 29.978 9.860 1.00 0.00 H +HETATM 2556 H8 UFX A 213 20.722 29.401 10.532 1.00 0.00 H +HETATM 2557 C1 UFX A 214 23.420 28.237 28.464 1.00 0.00 C +HETATM 2558 C2 UFX A 214 24.299 28.845 27.357 1.00 0.00 C +HETATM 2559 C3 UFX A 214 25.695 29.213 27.877 1.00 0.00 C +HETATM 2560 O1 UFX A 214 25.608 30.185 28.918 1.00 0.00 O +HETATM 2561 H1 UFX A 214 23.895 27.352 28.888 1.00 0.00 H +HETATM 2562 H2 UFX A 214 23.252 28.958 29.265 1.00 0.00 H +HETATM 2563 H3 UFX A 214 22.451 27.944 28.060 1.00 0.00 H +HETATM 2564 H4 UFX A 214 24.402 28.127 26.543 1.00 0.00 H +HETATM 2565 H5 UFX A 214 23.816 29.729 26.941 1.00 0.00 H +HETATM 2566 H6 UFX A 214 26.292 29.618 27.060 1.00 0.00 H +HETATM 2567 H7 UFX A 214 26.197 28.317 28.242 1.00 0.00 H +HETATM 2568 H8 UFX A 214 25.275 31.043 28.578 1.00 0.00 H +HETATM 2569 C1 UFX A 215 23.080 11.949 7.153 1.00 0.00 C +HETATM 2570 C2 UFX A 215 23.871 10.758 7.714 1.00 0.00 C +HETATM 2571 C3 UFX A 215 25.334 11.134 7.988 1.00 0.00 C +HETATM 2572 O1 UFX A 215 26.008 11.428 6.763 1.00 0.00 O +HETATM 2573 H1 UFX A 215 23.090 12.781 7.858 1.00 0.00 H +HETATM 2574 H2 UFX A 215 23.514 12.286 6.211 1.00 0.00 H +HETATM 2575 H3 UFX A 215 22.044 11.662 6.973 1.00 0.00 H +HETATM 2576 H4 UFX A 215 23.405 10.425 8.641 1.00 0.00 H +HETATM 2577 H5 UFX A 215 23.828 9.924 7.013 1.00 0.00 H +HETATM 2578 H6 UFX A 215 25.837 10.308 8.492 1.00 0.00 H +HETATM 2579 H7 UFX A 215 25.377 11.997 8.652 1.00 0.00 H +HETATM 2580 H8 UFX A 215 26.077 10.639 6.184 1.00 0.00 H +HETATM 2581 C1 UFX A 216 11.379 18.700 8.192 1.00 0.00 C +HETATM 2582 C2 UFX A 216 12.363 18.592 7.018 1.00 0.00 C +HETATM 2583 C3 UFX A 216 13.604 19.465 7.231 1.00 0.00 C +HETATM 2584 O1 UFX A 216 13.227 20.831 7.390 1.00 0.00 O +HETATM 2585 H1 UFX A 216 11.862 18.407 9.124 1.00 0.00 H +HETATM 2586 H2 UFX A 216 11.014 19.722 8.295 1.00 0.00 H +HETATM 2587 H3 UFX A 216 10.526 18.044 8.021 1.00 0.00 H +HETATM 2588 H4 UFX A 216 12.672 17.552 6.902 1.00 0.00 H +HETATM 2589 H5 UFX A 216 11.864 18.887 6.095 1.00 0.00 H +HETATM 2590 H6 UFX A 216 14.268 19.365 6.372 1.00 0.00 H +HETATM 2591 H7 UFX A 216 14.150 19.129 8.112 1.00 0.00 H +HETATM 2592 H8 UFX A 216 12.770 21.175 6.593 1.00 0.00 H +HETATM 2593 C1 UFX A 217 20.975 9.624 30.951 1.00 0.00 C +HETATM 2594 C2 UFX A 217 20.200 10.889 30.559 1.00 0.00 C +HETATM 2595 C3 UFX A 217 19.589 10.772 29.154 1.00 0.00 C +HETATM 2596 O1 UFX A 217 20.616 10.730 28.166 1.00 0.00 O +HETATM 2597 H1 UFX A 217 20.319 8.754 30.927 1.00 0.00 H +HETATM 2598 H2 UFX A 217 21.805 9.458 30.264 1.00 0.00 H +HETATM 2599 H3 UFX A 217 21.381 9.723 31.958 1.00 0.00 H +HETATM 2600 H4 UFX A 217 19.404 11.056 31.285 1.00 0.00 H +HETATM 2601 H5 UFX A 217 20.864 11.752 30.604 1.00 0.00 H +HETATM 2602 H6 UFX A 217 18.946 11.631 28.962 1.00 0.00 H +HETATM 2603 H7 UFX A 217 18.971 9.876 29.087 1.00 0.00 H +HETATM 2604 H8 UFX A 217 21.208 11.510 28.226 1.00 0.00 H +HETATM 2605 C1 UFX A 218 30.485 11.836 31.174 1.00 0.00 C +HETATM 2606 C2 UFX A 218 29.610 10.814 30.431 1.00 0.00 C +HETATM 2607 C3 UFX A 218 30.119 10.561 29.003 1.00 0.00 C +HETATM 2608 O1 UFX A 218 29.975 11.739 28.214 1.00 0.00 O +HETATM 2609 H1 UFX A 218 31.516 11.486 31.230 1.00 0.00 H +HETATM 2610 H2 UFX A 218 30.471 12.798 30.662 1.00 0.00 H +HETATM 2611 H3 UFX A 218 30.114 11.981 32.189 1.00 0.00 H +HETATM 2612 H4 UFX A 218 29.610 9.873 30.982 1.00 0.00 H +HETATM 2613 H5 UFX A 218 28.580 11.169 30.396 1.00 0.00 H +HETATM 2614 H6 UFX A 218 29.549 9.749 28.552 1.00 0.00 H +HETATM 2615 H7 UFX A 218 31.165 10.255 29.029 1.00 0.00 H +HETATM 2616 H8 UFX A 218 29.032 11.989 28.111 1.00 0.00 H +HETATM 2617 C1 UFX A 219 2.395 13.058 21.428 1.00 0.00 C +HETATM 2618 C2 UFX A 219 3.095 14.428 21.387 1.00 0.00 C +HETATM 2619 C3 UFX A 219 3.922 14.687 22.656 1.00 0.00 C +HETATM 2620 O1 UFX A 219 3.082 14.668 23.808 1.00 0.00 O +HETATM 2621 H1 UFX A 219 3.129 12.258 21.531 1.00 0.00 H +HETATM 2622 H2 UFX A 219 1.706 13.002 22.270 1.00 0.00 H +HETATM 2623 H3 UFX A 219 1.825 12.896 20.513 1.00 0.00 H +HETATM 2624 H4 UFX A 219 3.752 14.472 20.518 1.00 0.00 H +HETATM 2625 H5 UFX A 219 2.351 15.216 21.270 1.00 0.00 H +HETATM 2626 H6 UFX A 219 4.417 15.655 22.580 1.00 0.00 H +HETATM 2627 H7 UFX A 219 4.700 13.929 22.753 1.00 0.00 H +HETATM 2628 H8 UFX A 219 2.347 15.314 23.741 1.00 0.00 H +HETATM 2629 C1 UFX A 220 23.123 19.900 26.287 1.00 0.00 C +HETATM 2630 C2 UFX A 220 23.407 19.111 27.573 1.00 0.00 C +HETATM 2631 C3 UFX A 220 24.064 17.756 27.279 1.00 0.00 C +HETATM 2632 O1 UFX A 220 23.181 16.925 26.531 1.00 0.00 O +HETATM 2633 H1 UFX A 220 24.056 20.139 25.777 1.00 0.00 H +HETATM 2634 H2 UFX A 220 22.491 19.329 25.606 1.00 0.00 H +HETATM 2635 H3 UFX A 220 22.611 20.833 26.527 1.00 0.00 H +HETATM 2636 H4 UFX A 220 24.068 19.698 28.211 1.00 0.00 H +HETATM 2637 H5 UFX A 220 22.479 18.954 28.124 1.00 0.00 H +HETATM 2638 H6 UFX A 220 24.320 17.265 28.218 1.00 0.00 H +HETATM 2639 H7 UFX A 220 24.991 17.904 26.726 1.00 0.00 H +HETATM 2640 H8 UFX A 220 22.244 17.035 26.803 1.00 0.00 H +HETATM 2641 C1 UFX A 221 5.253 16.145 8.692 1.00 0.00 C +HETATM 2642 C2 UFX A 221 5.823 17.505 8.257 1.00 0.00 C +HETATM 2643 C3 UFX A 221 7.191 17.359 7.577 1.00 0.00 C +HETATM 2644 O1 UFX A 221 8.140 16.821 8.495 1.00 0.00 O +HETATM 2645 H1 UFX A 221 5.142 15.489 7.828 1.00 0.00 H +HETATM 2646 H2 UFX A 221 5.910 15.664 9.417 1.00 0.00 H +HETATM 2647 H3 UFX A 221 4.273 16.277 9.151 1.00 0.00 H +HETATM 2648 H4 UFX A 221 5.130 17.970 7.556 1.00 0.00 H +HETATM 2649 H5 UFX A 221 5.908 18.165 9.120 1.00 0.00 H +HETATM 2650 H6 UFX A 221 7.530 18.336 7.232 1.00 0.00 H +HETATM 2651 H7 UFX A 221 7.102 16.715 6.702 1.00 0.00 H +HETATM 2652 H8 UFX A 221 8.216 17.382 9.297 1.00 0.00 H +HETATM 2653 C1 UFX A 222 1.850 22.549 3.880 1.00 0.00 C +HETATM 2654 C2 UFX A 222 3.162 22.749 3.102 1.00 0.00 C +HETATM 2655 C3 UFX A 222 3.796 21.412 2.687 1.00 0.00 C +HETATM 2656 O1 UFX A 222 4.065 20.605 3.830 1.00 0.00 O +HETATM 2657 H1 UFX A 222 1.141 21.968 3.290 1.00 0.00 H +HETATM 2658 H2 UFX A 222 2.033 22.026 4.819 1.00 0.00 H +HETATM 2659 H3 UFX A 222 1.398 23.515 4.108 1.00 0.00 H +HETATM 2660 H4 UFX A 222 2.958 23.336 2.206 1.00 0.00 H +HETATM 2661 H5 UFX A 222 3.866 23.320 3.707 1.00 0.00 H +HETATM 2662 H6 UFX A 222 4.723 21.599 2.145 1.00 0.00 H +HETATM 2663 H7 UFX A 222 3.124 20.879 2.015 1.00 0.00 H +HETATM 2664 H8 UFX A 222 4.711 21.027 4.435 1.00 0.00 H +HETATM 2665 C1 UFX A 223 26.305 6.137 31.833 1.00 0.00 C +HETATM 2666 C2 UFX A 223 27.625 6.009 31.055 1.00 0.00 C +HETATM 2667 C3 UFX A 223 28.672 5.213 31.848 1.00 0.00 C +HETATM 2668 O1 UFX A 223 29.038 5.926 33.028 1.00 0.00 O +HETATM 2669 H1 UFX A 223 25.914 5.151 32.086 1.00 0.00 H +HETATM 2670 H2 UFX A 223 26.453 6.700 32.755 1.00 0.00 H +HETATM 2671 H3 UFX A 223 25.561 6.656 31.228 1.00 0.00 H +HETATM 2672 H4 UFX A 223 27.434 5.501 30.110 1.00 0.00 H +HETATM 2673 H5 UFX A 223 28.014 6.999 30.816 1.00 0.00 H +HETATM 2674 H6 UFX A 223 29.554 5.053 31.228 1.00 0.00 H +HETATM 2675 H7 UFX A 223 28.276 4.232 32.111 1.00 0.00 H +HETATM 2676 H8 UFX A 223 29.342 6.837 32.825 1.00 0.00 H +HETATM 2677 C1 UFX A 224 12.109 20.793 22.728 1.00 0.00 C +HETATM 2678 C2 UFX A 224 12.370 22.265 22.357 1.00 0.00 C +HETATM 2679 C3 UFX A 224 11.358 23.222 22.985 1.00 0.00 C +HETATM 2680 O1 UFX A 224 10.063 22.966 22.443 1.00 0.00 O +HETATM 2681 H1 UFX A 224 12.225 20.643 23.802 1.00 0.00 H +HETATM 2682 H2 UFX A 224 11.106 20.487 22.432 1.00 0.00 H +HETATM 2683 H3 UFX A 224 12.824 20.145 22.220 1.00 0.00 H +HETATM 2684 H4 UFX A 224 13.374 22.542 22.679 1.00 0.00 H +HETATM 2685 H5 UFX A 224 12.334 22.383 21.274 1.00 0.00 H +HETATM 2686 H6 UFX A 224 11.652 24.248 22.763 1.00 0.00 H +HETATM 2687 H7 UFX A 224 11.349 23.111 24.070 1.00 0.00 H +HETATM 2688 H8 UFX A 224 10.071 23.028 21.464 1.00 0.00 H +HETATM 2689 C1 UFX A 225 33.121 12.997 26.668 1.00 0.00 C +HETATM 2690 C2 UFX A 225 34.044 13.702 25.657 1.00 0.00 C +HETATM 2691 C3 UFX A 225 34.045 12.998 24.292 1.00 0.00 C +HETATM 2692 O1 UFX A 225 34.563 11.676 24.415 1.00 0.00 O +HETATM 2693 H1 UFX A 225 32.094 12.978 26.302 1.00 0.00 H +HETATM 2694 H2 UFX A 225 33.448 11.972 26.844 1.00 0.00 H +HETATM 2695 H3 UFX A 225 33.130 13.524 27.622 1.00 0.00 H +HETATM 2696 H4 UFX A 225 33.711 14.732 25.529 1.00 0.00 H +HETATM 2697 H5 UFX A 225 35.061 13.736 26.048 1.00 0.00 H +HETATM 2698 H6 UFX A 225 34.659 13.566 23.592 1.00 0.00 H +HETATM 2699 H7 UFX A 225 33.032 12.963 23.891 1.00 0.00 H +HETATM 2700 H8 UFX A 225 35.468 11.669 24.794 1.00 0.00 H +HETATM 2701 C1 UFX A 226 21.877 14.782 4.935 1.00 0.00 C +HETATM 2702 C2 UFX A 226 22.054 15.624 6.210 1.00 0.00 C +HETATM 2703 C3 UFX A 226 22.067 17.124 5.889 1.00 0.00 C +HETATM 2704 O1 UFX A 226 23.229 17.458 5.137 1.00 0.00 O +HETATM 2705 H1 UFX A 226 20.968 15.074 4.408 1.00 0.00 H +HETATM 2706 H2 UFX A 226 22.727 14.916 4.266 1.00 0.00 H +HETATM 2707 H3 UFX A 226 21.799 13.724 5.187 1.00 0.00 H +HETATM 2708 H4 UFX A 226 21.231 15.415 6.895 1.00 0.00 H +HETATM 2709 H5 UFX A 226 22.976 15.343 6.719 1.00 0.00 H +HETATM 2710 H6 UFX A 226 22.059 17.699 6.816 1.00 0.00 H +HETATM 2711 H7 UFX A 226 21.171 17.390 5.329 1.00 0.00 H +HETATM 2712 H8 UFX A 226 24.037 17.430 5.692 1.00 0.00 H +HETATM 2713 C1 UFX A 227 10.040 23.196 28.842 1.00 0.00 C +HETATM 2714 C2 UFX A 227 8.640 23.554 28.321 1.00 0.00 C +HETATM 2715 C3 UFX A 227 8.632 24.877 27.544 1.00 0.00 C +HETATM 2716 O1 UFX A 227 8.834 25.973 28.435 1.00 0.00 O +HETATM 2717 H1 UFX A 227 10.737 23.073 28.013 1.00 0.00 H +HETATM 2718 H2 UFX A 227 10.418 23.979 29.499 1.00 0.00 H +HETATM 2719 H3 UFX A 227 10.006 22.262 29.405 1.00 0.00 H +HETATM 2720 H4 UFX A 227 8.281 22.754 27.673 1.00 0.00 H +HETATM 2721 H5 UFX A 227 7.942 23.625 29.155 1.00 0.00 H +HETATM 2722 H6 UFX A 227 7.668 24.989 27.048 1.00 0.00 H +HETATM 2723 H7 UFX A 227 9.400 24.869 26.770 1.00 0.00 H +HETATM 2724 H8 UFX A 227 8.571 26.828 28.032 1.00 0.00 H +HETATM 2725 C1 UFX A 228 2.472 24.995 9.157 1.00 0.00 C +HETATM 2726 C2 UFX A 228 2.135 24.346 7.805 1.00 0.00 C +HETATM 2727 C3 UFX A 228 0.821 24.882 7.221 1.00 0.00 C +HETATM 2728 O1 UFX A 228 -0.269 24.584 8.090 1.00 0.00 O +HETATM 2729 H1 UFX A 228 2.553 26.077 9.051 1.00 0.00 H +HETATM 2730 H2 UFX A 228 1.703 24.776 9.897 1.00 0.00 H +HETATM 2731 H3 UFX A 228 3.423 24.612 9.530 1.00 0.00 H +HETATM 2732 H4 UFX A 228 2.943 24.546 7.101 1.00 0.00 H +HETATM 2733 H5 UFX A 228 2.072 23.264 7.922 1.00 0.00 H +HETATM 2734 H6 UFX A 228 0.644 24.430 6.245 1.00 0.00 H +HETATM 2735 H7 UFX A 228 0.894 25.960 7.076 1.00 0.00 H +HETATM 2736 H8 UFX A 228 -0.363 23.619 8.243 1.00 0.00 H +HETATM 2737 C1 UFX A 229 13.999 1.445 1.577 1.00 0.00 C +HETATM 2738 C2 UFX A 229 14.294 2.036 0.186 1.00 0.00 C +HETATM 2739 C3 UFX A 229 15.803 2.121 -0.092 1.00 0.00 C +HETATM 2740 O1 UFX A 229 16.434 2.982 0.854 1.00 0.00 O +HETATM 2741 H1 UFX A 229 14.439 0.452 1.671 1.00 0.00 H +HETATM 2742 H2 UFX A 229 14.408 2.082 2.361 1.00 0.00 H +HETATM 2743 H3 UFX A 229 12.923 1.362 1.730 1.00 0.00 H +HETATM 2744 H4 UFX A 229 13.828 1.409 -0.574 1.00 0.00 H +HETATM 2745 H5 UFX A 229 13.849 3.028 0.105 1.00 0.00 H +HETATM 2746 H6 UFX A 229 15.967 2.498 -1.102 1.00 0.00 H +HETATM 2747 H7 UFX A 229 16.247 1.126 -0.040 1.00 0.00 H +HETATM 2748 H8 UFX A 229 16.084 3.897 0.812 1.00 0.00 H +HETATM 2749 C1 UFX A 230 12.256 28.862 20.363 1.00 0.00 C +HETATM 2750 C2 UFX A 230 11.246 30.015 20.476 1.00 0.00 C +HETATM 2751 C3 UFX A 230 9.799 29.513 20.365 1.00 0.00 C +HETATM 2752 O1 UFX A 230 9.546 29.011 19.053 1.00 0.00 O +HETATM 2753 H1 UFX A 230 12.090 28.131 21.154 1.00 0.00 H +HETATM 2754 H2 UFX A 230 12.161 28.359 19.400 1.00 0.00 H +HETATM 2755 H3 UFX A 230 13.274 29.240 20.451 1.00 0.00 H +HETATM 2756 H4 UFX A 230 11.377 30.511 21.438 1.00 0.00 H +HETATM 2757 H5 UFX A 230 11.438 30.756 19.699 1.00 0.00 H +HETATM 2758 H6 UFX A 230 9.110 30.331 20.578 1.00 0.00 H +HETATM 2759 H7 UFX A 230 9.618 28.735 21.107 1.00 0.00 H +HETATM 2760 H8 UFX A 230 9.629 29.722 18.381 1.00 0.00 H +HETATM 2761 C1 UFX A 231 6.126 5.728 9.256 1.00 0.00 C +HETATM 2762 C2 UFX A 231 6.978 6.462 8.209 1.00 0.00 C +HETATM 2763 C3 UFX A 231 8.056 7.337 8.862 1.00 0.00 C +HETATM 2764 O1 UFX A 231 7.454 8.364 9.652 1.00 0.00 O +HETATM 2765 H1 UFX A 231 6.755 5.101 9.887 1.00 0.00 H +HETATM 2766 H2 UFX A 231 5.596 6.440 9.888 1.00 0.00 H +HETATM 2767 H3 UFX A 231 5.391 5.093 8.760 1.00 0.00 H +HETATM 2768 H4 UFX A 231 7.461 5.728 7.564 1.00 0.00 H +HETATM 2769 H5 UFX A 231 6.338 7.076 7.574 1.00 0.00 H +HETATM 2770 H6 UFX A 231 8.678 7.787 8.087 1.00 0.00 H +HETATM 2771 H7 UFX A 231 8.705 6.721 9.485 1.00 0.00 H +HETATM 2772 H8 UFX A 231 6.801 8.882 9.135 1.00 0.00 H +HETATM 2773 C1 UFX A 232 20.084 5.713 16.240 1.00 0.00 C +HETATM 2774 C2 UFX A 232 19.029 5.416 17.316 1.00 0.00 C +HETATM 2775 C3 UFX A 232 18.564 3.948 17.282 1.00 0.00 C +HETATM 2776 O1 UFX A 232 17.875 3.671 16.061 1.00 0.00 O +HETATM 2777 H1 UFX A 232 20.960 5.081 16.384 1.00 0.00 H +HETATM 2778 H2 UFX A 232 19.681 5.532 15.243 1.00 0.00 H +HETATM 2779 H3 UFX A 232 20.397 6.755 16.300 1.00 0.00 H +HETATM 2780 H4 UFX A 232 19.453 5.631 18.297 1.00 0.00 H +HETATM 2781 H5 UFX A 232 18.175 6.082 17.187 1.00 0.00 H +HETATM 2782 H6 UFX A 232 17.896 3.755 18.122 1.00 0.00 H +HETATM 2783 H7 UFX A 232 19.421 3.283 17.387 1.00 0.00 H +HETATM 2784 H8 UFX A 232 17.125 4.287 15.921 1.00 0.00 H +HETATM 2785 C1 UFX A 233 18.780 3.017 32.826 1.00 0.00 C +HETATM 2786 C2 UFX A 233 19.016 2.177 31.560 1.00 0.00 C +HETATM 2787 C3 UFX A 233 17.735 1.463 31.100 1.00 0.00 C +HETATM 2788 O1 UFX A 233 17.280 0.565 32.110 1.00 0.00 O +HETATM 2789 H1 UFX A 233 17.961 3.720 32.675 1.00 0.00 H +HETATM 2790 H2 UFX A 233 18.537 2.376 33.674 1.00 0.00 H +HETATM 2791 H3 UFX A 233 19.678 3.583 33.076 1.00 0.00 H +HETATM 2792 H4 UFX A 233 19.366 2.828 30.759 1.00 0.00 H +HETATM 2793 H5 UFX A 233 19.803 1.444 31.743 1.00 0.00 H +HETATM 2794 H6 UFX A 233 17.933 0.912 30.181 1.00 0.00 H +HETATM 2795 H7 UFX A 233 16.960 2.198 30.881 1.00 0.00 H +HETATM 2796 H8 UFX A 233 17.965 -0.100 32.336 1.00 0.00 H +HETATM 2797 C1 UFX A 234 9.694 19.885 18.394 1.00 0.00 C +HETATM 2798 C2 UFX A 234 10.009 21.240 19.053 1.00 0.00 C +HETATM 2799 C3 UFX A 234 8.725 22.005 19.410 1.00 0.00 C +HETATM 2800 O1 UFX A 234 7.962 22.261 18.239 1.00 0.00 O +HETATM 2801 H1 UFX A 234 9.071 19.278 19.051 1.00 0.00 H +HETATM 2802 H2 UFX A 234 9.161 20.027 17.453 1.00 0.00 H +HETATM 2803 H3 UFX A 234 10.614 19.339 18.187 1.00 0.00 H +HETATM 2804 H4 UFX A 234 10.592 21.070 19.958 1.00 0.00 H +HETATM 2805 H5 UFX A 234 10.619 21.845 18.382 1.00 0.00 H +HETATM 2806 H6 UFX A 234 8.978 22.952 19.888 1.00 0.00 H +HETATM 2807 H7 UFX A 234 8.133 21.427 20.120 1.00 0.00 H +HETATM 2808 H8 UFX A 234 8.442 22.848 17.617 1.00 0.00 H +HETATM 2809 C1 UFX A 235 10.754 17.249 20.601 1.00 0.00 C +HETATM 2810 C2 UFX A 235 11.699 16.434 19.707 1.00 0.00 C +HETATM 2811 C3 UFX A 235 11.254 14.969 19.619 1.00 0.00 C +HETATM 2812 O1 UFX A 235 11.398 14.327 20.883 1.00 0.00 O +HETATM 2813 H1 UFX A 235 9.742 17.227 20.195 1.00 0.00 H +HETATM 2814 H2 UFX A 235 10.729 16.841 21.612 1.00 0.00 H +HETATM 2815 H3 UFX A 235 11.085 18.286 20.655 1.00 0.00 H +HETATM 2816 H4 UFX A 235 11.699 16.869 18.707 1.00 0.00 H +HETATM 2817 H5 UFX A 235 12.717 16.487 20.092 1.00 0.00 H +HETATM 2818 H6 UFX A 235 11.853 14.449 18.872 1.00 0.00 H +HETATM 2819 H7 UFX A 235 10.213 14.918 19.298 1.00 0.00 H +HETATM 2820 H8 UFX A 235 12.334 14.118 21.089 1.00 0.00 H +HETATM 2821 C1 UFX A 236 16.866 4.277 12.817 1.00 0.00 C +HETATM 2822 C2 UFX A 236 16.502 5.738 13.129 1.00 0.00 C +HETATM 2823 C3 UFX A 236 15.237 6.175 12.377 1.00 0.00 C +HETATM 2824 O1 UFX A 236 15.461 6.144 10.968 1.00 0.00 O +HETATM 2825 H1 UFX A 236 16.048 3.614 13.098 1.00 0.00 H +HETATM 2826 H2 UFX A 236 17.066 4.144 11.753 1.00 0.00 H +HETATM 2827 H3 UFX A 236 17.759 3.985 13.370 1.00 0.00 H +HETATM 2828 H4 UFX A 236 16.331 5.843 14.200 1.00 0.00 H +HETATM 2829 H5 UFX A 236 17.334 6.393 12.868 1.00 0.00 H +HETATM 2830 H6 UFX A 236 14.963 7.185 12.681 1.00 0.00 H +HETATM 2831 H7 UFX A 236 14.407 5.518 12.635 1.00 0.00 H +HETATM 2832 H8 UFX A 236 16.171 6.764 10.696 1.00 0.00 H +HETATM 2833 C1 UFX A 237 29.834 5.487 12.481 1.00 0.00 C +HETATM 2834 C2 UFX A 237 31.160 6.269 12.447 1.00 0.00 C +HETATM 2835 C3 UFX A 237 32.312 5.416 11.892 1.00 0.00 C +HETATM 2836 O1 UFX A 237 32.551 4.296 12.741 1.00 0.00 O +HETATM 2837 H1 UFX A 237 29.573 5.134 11.483 1.00 0.00 H +HETATM 2838 H2 UFX A 237 29.911 4.624 13.143 1.00 0.00 H +HETATM 2839 H3 UFX A 237 29.028 6.125 12.843 1.00 0.00 H +HETATM 2840 H4 UFX A 237 31.037 7.152 11.820 1.00 0.00 H +HETATM 2841 H5 UFX A 237 31.411 6.615 13.450 1.00 0.00 H +HETATM 2842 H6 UFX A 237 33.216 6.020 11.818 1.00 0.00 H +HETATM 2843 H7 UFX A 237 32.067 5.071 10.887 1.00 0.00 H +HETATM 2844 H8 UFX A 237 32.781 4.568 13.655 1.00 0.00 H +HETATM 2845 C1 UFX A 238 12.574 10.807 31.997 1.00 0.00 C +HETATM 2846 C2 UFX A 238 13.235 9.618 32.718 1.00 0.00 C +HETATM 2847 C3 UFX A 238 13.103 9.732 34.245 1.00 0.00 C +HETATM 2848 O1 UFX A 238 13.906 10.808 34.732 1.00 0.00 O +HETATM 2849 H1 UFX A 238 11.510 10.853 32.230 1.00 0.00 H +HETATM 2850 H2 UFX A 238 13.035 11.747 32.299 1.00 0.00 H +HETATM 2851 H3 UFX A 238 12.681 10.703 30.918 1.00 0.00 H +HETATM 2852 H4 UFX A 238 12.762 8.693 32.388 1.00 0.00 H +HETATM 2853 H5 UFX A 238 14.288 9.554 32.442 1.00 0.00 H +HETATM 2854 H6 UFX A 238 13.428 8.800 34.710 1.00 0.00 H +HETATM 2855 H7 UFX A 238 12.060 9.890 34.519 1.00 0.00 H +HETATM 2856 H8 UFX A 238 14.856 10.667 34.534 1.00 0.00 H +HETATM 2857 C1 UFX A 239 0.804 27.387 21.609 1.00 0.00 C +HETATM 2858 C2 UFX A 239 0.718 27.461 20.074 1.00 0.00 C +HETATM 2859 C3 UFX A 239 1.782 28.405 19.492 1.00 0.00 C +HETATM 2860 O1 UFX A 239 1.509 29.748 19.887 1.00 0.00 O +HETATM 2861 H1 UFX A 239 1.791 27.043 21.918 1.00 0.00 H +HETATM 2862 H2 UFX A 239 0.621 28.365 22.053 1.00 0.00 H +HETATM 2863 H3 UFX A 239 0.061 26.689 21.994 1.00 0.00 H +HETATM 2864 H4 UFX A 239 0.864 26.464 19.660 1.00 0.00 H +HETATM 2865 H5 UFX A 239 -0.276 27.793 19.773 1.00 0.00 H +HETATM 2866 H6 UFX A 239 1.777 28.336 18.404 1.00 0.00 H +HETATM 2867 H7 UFX A 239 2.774 28.108 19.833 1.00 0.00 H +HETATM 2868 H8 UFX A 239 0.623 30.046 19.588 1.00 0.00 H +HETATM 2869 C1 UFX A 240 11.705 11.639 8.443 1.00 0.00 C +HETATM 2870 C2 UFX A 240 12.487 12.457 7.398 1.00 0.00 C +HETATM 2871 C3 UFX A 240 13.218 13.658 8.013 1.00 0.00 C +HETATM 2872 O1 UFX A 240 12.324 14.466 8.774 1.00 0.00 O +HETATM 2873 H1 UFX A 240 12.367 11.283 9.232 1.00 0.00 H +HETATM 2874 H2 UFX A 240 10.917 12.242 8.895 1.00 0.00 H +HETATM 2875 H3 UFX A 240 11.239 10.774 7.972 1.00 0.00 H +HETATM 2876 H4 UFX A 240 13.216 11.813 6.907 1.00 0.00 H +HETATM 2877 H5 UFX A 240 11.803 12.811 6.627 1.00 0.00 H +HETATM 2878 H6 UFX A 240 13.675 14.253 7.222 1.00 0.00 H +HETATM 2879 H7 UFX A 240 14.020 13.304 8.661 1.00 0.00 H +HETATM 2880 H8 UFX A 240 11.530 14.723 8.258 1.00 0.00 H +HETATM 2881 C1 UFX A 241 19.517 15.641 18.256 1.00 0.00 C +HETATM 2882 C2 UFX A 241 19.385 14.123 18.444 1.00 0.00 C +HETATM 2883 C3 UFX A 241 20.706 13.414 18.130 1.00 0.00 C +HETATM 2884 O1 UFX A 241 21.013 13.518 16.746 1.00 0.00 O +HETATM 2885 H1 UFX A 241 20.310 16.035 18.892 1.00 0.00 H +HETATM 2886 H2 UFX A 241 19.754 15.876 17.218 1.00 0.00 H +HETATM 2887 H3 UFX A 241 18.586 16.141 18.521 1.00 0.00 H +HETATM 2888 H4 UFX A 241 19.102 13.915 19.477 1.00 0.00 H +HETATM 2889 H5 UFX A 241 18.594 13.733 17.802 1.00 0.00 H +HETATM 2890 H6 UFX A 241 20.631 12.362 18.406 1.00 0.00 H +HETATM 2891 H7 UFX A 241 21.510 13.856 18.718 1.00 0.00 H +HETATM 2892 H8 UFX A 241 20.373 13.026 16.188 1.00 0.00 H +HETATM 2893 C1 UFX A 242 5.075 18.848 21.265 1.00 0.00 C +HETATM 2894 C2 UFX A 242 6.586 18.647 21.053 1.00 0.00 C +HETATM 2895 C3 UFX A 242 7.244 17.911 22.230 1.00 0.00 C +HETATM 2896 O1 UFX A 242 7.132 18.686 23.421 1.00 0.00 O +HETATM 2897 H1 UFX A 242 4.575 17.889 21.400 1.00 0.00 H +HETATM 2898 H2 UFX A 242 4.888 19.470 22.141 1.00 0.00 H +HETATM 2899 H3 UFX A 242 4.637 19.344 20.399 1.00 0.00 H +HETATM 2900 H4 UFX A 242 6.748 18.077 20.139 1.00 0.00 H +HETATM 2901 H5 UFX A 242 7.066 19.616 20.917 1.00 0.00 H +HETATM 2902 H6 UFX A 242 8.297 17.734 22.011 1.00 0.00 H +HETATM 2903 H7 UFX A 242 6.771 16.939 22.373 1.00 0.00 H +HETATM 2904 H8 UFX A 242 7.592 19.549 23.340 1.00 0.00 H +HETATM 2905 C1 UFX A 243 31.802 7.590 31.248 1.00 0.00 C +HETATM 2906 C2 UFX A 243 32.182 6.572 30.159 1.00 0.00 C +HETATM 2907 C3 UFX A 243 31.645 6.989 28.782 1.00 0.00 C +HETATM 2908 O1 UFX A 243 30.219 7.032 28.792 1.00 0.00 O +HETATM 2909 H1 UFX A 243 32.198 8.576 31.003 1.00 0.00 H +HETATM 2910 H2 UFX A 243 30.719 7.664 31.344 1.00 0.00 H +HETATM 2911 H3 UFX A 243 32.212 7.282 32.210 1.00 0.00 H +HETATM 2912 H4 UFX A 243 33.268 6.493 30.108 1.00 0.00 H +HETATM 2913 H5 UFX A 243 31.799 5.586 30.423 1.00 0.00 H +HETATM 2914 H6 UFX A 243 31.986 6.283 28.024 1.00 0.00 H +HETATM 2915 H7 UFX A 243 32.044 7.969 28.517 1.00 0.00 H +HETATM 2916 H8 UFX A 243 29.823 6.167 29.031 1.00 0.00 H +HETATM 2917 C1 UFX A 244 9.309 19.491 4.851 1.00 0.00 C +HETATM 2918 C2 UFX A 244 8.239 19.632 3.754 1.00 0.00 C +HETATM 2919 C3 UFX A 244 6.985 18.811 4.090 1.00 0.00 C +HETATM 2920 O1 UFX A 244 7.303 17.419 4.087 1.00 0.00 O +HETATM 2921 H1 UFX A 244 8.941 19.891 5.796 1.00 0.00 H +HETATM 2922 H2 UFX A 244 9.577 18.445 4.998 1.00 0.00 H +HETATM 2923 H3 UFX A 244 10.211 20.035 4.573 1.00 0.00 H +HETATM 2924 H4 UFX A 244 7.964 20.682 3.653 1.00 0.00 H +HETATM 2925 H5 UFX A 244 8.642 19.307 2.795 1.00 0.00 H +HETATM 2926 H6 UFX A 244 6.206 19.010 3.353 1.00 0.00 H +HETATM 2927 H7 UFX A 244 6.596 19.106 5.065 1.00 0.00 H +HETATM 2928 H8 UFX A 244 7.546 17.102 3.191 1.00 0.00 H +HETATM 2929 C1 UFX A 245 6.149 30.267 17.606 1.00 0.00 C +HETATM 2930 C2 UFX A 245 5.364 30.563 18.893 1.00 0.00 C +HETATM 2931 C3 UFX A 245 4.093 31.375 18.605 1.00 0.00 C +HETATM 2932 O1 UFX A 245 4.431 32.639 18.035 1.00 0.00 O +HETATM 2933 H1 UFX A 245 5.527 29.714 16.902 1.00 0.00 H +HETATM 2934 H2 UFX A 245 6.474 31.192 17.129 1.00 0.00 H +HETATM 2935 H3 UFX A 245 7.029 29.665 17.831 1.00 0.00 H +HETATM 2936 H4 UFX A 245 5.084 29.621 19.365 1.00 0.00 H +HETATM 2937 H5 UFX A 245 5.997 31.101 19.598 1.00 0.00 H +HETATM 2938 H6 UFX A 245 3.539 31.526 19.532 1.00 0.00 H +HETATM 2939 H7 UFX A 245 3.447 30.822 17.923 1.00 0.00 H +HETATM 2940 H8 UFX A 245 4.959 33.188 18.654 1.00 0.00 H +HETATM 2941 C1 UFX A 246 28.546 26.296 8.529 1.00 0.00 C +HETATM 2942 C2 UFX A 246 28.590 25.452 7.246 1.00 0.00 C +HETATM 2943 C3 UFX A 246 29.408 26.131 6.137 1.00 0.00 C +HETATM 2944 O1 UFX A 246 28.829 27.388 5.790 1.00 0.00 O +HETATM 2945 H1 UFX A 246 29.556 26.503 8.883 1.00 0.00 H +HETATM 2946 H2 UFX A 246 28.039 27.244 8.349 1.00 0.00 H +HETATM 2947 H3 UFX A 246 28.006 25.762 9.311 1.00 0.00 H +HETATM 2948 H4 UFX A 246 29.033 24.481 7.472 1.00 0.00 H +HETATM 2949 H5 UFX A 246 27.574 25.267 6.896 1.00 0.00 H +HETATM 2950 H6 UFX A 246 29.437 25.487 5.258 1.00 0.00 H +HETATM 2951 H7 UFX A 246 30.435 26.278 6.470 1.00 0.00 H +HETATM 2952 H8 UFX A 246 27.890 27.299 5.521 1.00 0.00 H +HETATM 2953 C1 UFX A 247 26.815 4.588 19.240 1.00 0.00 C +HETATM 2954 C2 UFX A 247 28.237 4.076 18.967 1.00 0.00 C +HETATM 2955 C3 UFX A 247 28.456 2.649 19.491 1.00 0.00 C +HETATM 2956 O1 UFX A 247 28.279 2.604 20.905 1.00 0.00 O +HETATM 2957 H1 UFX A 247 26.078 3.932 18.776 1.00 0.00 H +HETATM 2958 H2 UFX A 247 26.619 4.631 20.312 1.00 0.00 H +HETATM 2959 H3 UFX A 247 26.693 5.589 18.827 1.00 0.00 H +HETATM 2960 H4 UFX A 247 28.419 4.089 17.893 1.00 0.00 H +HETATM 2961 H5 UFX A 247 28.960 4.750 19.427 1.00 0.00 H +HETATM 2962 H6 UFX A 247 29.467 2.324 19.242 1.00 0.00 H +HETATM 2963 H7 UFX A 247 27.764 1.962 19.002 1.00 0.00 H +HETATM 2964 H8 UFX A 247 28.894 3.222 21.355 1.00 0.00 H +HETATM 2965 C1 UFX A 248 27.886 12.532 14.390 1.00 0.00 C +HETATM 2966 C2 UFX A 248 27.796 12.741 12.870 1.00 0.00 C +HETATM 2967 C3 UFX A 248 27.658 14.225 12.501 1.00 0.00 C +HETATM 2968 O1 UFX A 248 26.509 14.800 13.124 1.00 0.00 O +HETATM 2969 H1 UFX A 248 28.737 13.077 14.798 1.00 0.00 H +HETATM 2970 H2 UFX A 248 26.977 12.878 14.884 1.00 0.00 H +HETATM 2971 H3 UFX A 248 28.015 11.473 14.617 1.00 0.00 H +HETATM 2972 H4 UFX A 248 28.696 12.343 12.400 1.00 0.00 H +HETATM 2973 H5 UFX A 248 26.952 12.179 12.470 1.00 0.00 H +HETATM 2974 H6 UFX A 248 27.580 14.326 11.418 1.00 0.00 H +HETATM 2975 H7 UFX A 248 28.551 14.764 12.816 1.00 0.00 H +HETATM 2976 H8 UFX A 248 25.685 14.327 12.881 1.00 0.00 H +HETATM 2977 C1 UFX A 249 4.064 33.586 24.302 1.00 0.00 C +HETATM 2978 C2 UFX A 249 3.833 32.723 25.556 1.00 0.00 C +HETATM 2979 C3 UFX A 249 2.409 32.147 25.596 1.00 0.00 C +HETATM 2980 O1 UFX A 249 1.452 33.199 25.696 1.00 0.00 O +HETATM 2981 H1 UFX A 249 3.893 33.000 23.399 1.00 0.00 H +HETATM 2982 H2 UFX A 249 3.390 34.442 24.294 1.00 0.00 H +HETATM 2983 H3 UFX A 249 5.089 33.955 24.283 1.00 0.00 H +HETATM 2984 H4 UFX A 249 4.551 31.902 25.559 1.00 0.00 H +HETATM 2985 H5 UFX A 249 4.015 33.317 26.452 1.00 0.00 H +HETATM 2986 H6 UFX A 249 2.309 31.480 26.453 1.00 0.00 H +HETATM 2987 H7 UFX A 249 2.217 31.559 24.698 1.00 0.00 H +HETATM 2988 H8 UFX A 249 1.608 33.767 26.481 1.00 0.00 H +HETATM 2989 C1 UFX A 250 -0.667 16.143 21.302 1.00 0.00 C +HETATM 2990 C2 UFX A 250 -0.577 17.367 22.232 1.00 0.00 C +HETATM 2991 C3 UFX A 250 0.795 17.460 22.919 1.00 0.00 C +HETATM 2992 O1 UFX A 250 0.978 16.359 23.809 1.00 0.00 O +HETATM 2993 H1 UFX A 250 0.103 16.193 20.531 1.00 0.00 H +HETATM 2994 H2 UFX A 250 -0.537 15.218 21.863 1.00 0.00 H +HETATM 2995 H3 UFX A 250 -1.639 16.115 20.810 1.00 0.00 H +HETATM 2996 H4 UFX A 250 -0.743 18.270 21.644 1.00 0.00 H +HETATM 2997 H5 UFX A 250 -1.365 17.323 22.984 1.00 0.00 H +HETATM 2998 H6 UFX A 250 0.864 18.395 23.475 1.00 0.00 H +HETATM 2999 H7 UFX A 250 1.586 17.468 22.168 1.00 0.00 H +HETATM 3000 H8 UFX A 250 0.347 16.388 24.559 1.00 0.00 H +HETATM 3001 C1 UFX A 251 30.444 19.855 23.574 1.00 0.00 C +HETATM 3002 C2 UFX A 251 30.662 19.477 22.100 1.00 0.00 C +HETATM 3003 C3 UFX A 251 31.706 20.380 21.425 1.00 0.00 C +HETATM 3004 O1 UFX A 251 31.267 21.734 21.409 1.00 0.00 O +HETATM 3005 H1 UFX A 251 31.374 19.760 24.134 1.00 0.00 H +HETATM 3006 H2 UFX A 251 30.090 20.882 23.662 1.00 0.00 H +HETATM 3007 H3 UFX A 251 29.699 19.196 24.021 1.00 0.00 H +HETATM 3008 H4 UFX A 251 31.000 18.442 22.047 1.00 0.00 H +HETATM 3009 H5 UFX A 251 29.718 19.538 21.559 1.00 0.00 H +HETATM 3010 H6 UFX A 251 31.877 20.040 20.403 1.00 0.00 H +HETATM 3011 H7 UFX A 251 32.655 20.309 21.958 1.00 0.00 H +HETATM 3012 H8 UFX A 251 30.452 21.851 20.875 1.00 0.00 H +HETATM 3013 C1 UFX A 252 20.669 21.839 4.663 1.00 0.00 C +HETATM 3014 C2 UFX A 252 21.568 20.652 5.045 1.00 0.00 C +HETATM 3015 C3 UFX A 252 22.897 21.106 5.667 1.00 0.00 C +HETATM 3016 O1 UFX A 252 23.626 21.929 4.752 1.00 0.00 O +HETATM 3017 H1 UFX A 252 20.406 22.413 5.552 1.00 0.00 H +HETATM 3018 H2 UFX A 252 21.173 22.497 3.955 1.00 0.00 H +HETATM 3019 H3 UFX A 252 19.750 21.482 4.198 1.00 0.00 H +HETATM 3020 H4 UFX A 252 21.040 20.015 5.755 1.00 0.00 H +HETATM 3021 H5 UFX A 252 21.770 20.046 4.161 1.00 0.00 H +HETATM 3022 H6 UFX A 252 23.492 20.229 5.924 1.00 0.00 H +HETATM 3023 H7 UFX A 252 22.706 21.651 6.592 1.00 0.00 H +HETATM 3024 H8 UFX A 252 23.781 21.462 3.903 1.00 0.00 H +HETATM 3025 C1 UFX A 253 19.498 12.593 11.213 1.00 0.00 C +HETATM 3026 C2 UFX A 253 18.582 13.784 11.544 1.00 0.00 C +HETATM 3027 C3 UFX A 253 19.335 14.897 12.286 1.00 0.00 C +HETATM 3028 O1 UFX A 253 19.761 14.425 13.562 1.00 0.00 O +HETATM 3029 H1 UFX A 253 20.297 12.905 10.541 1.00 0.00 H +HETATM 3030 H2 UFX A 253 19.945 12.185 12.120 1.00 0.00 H +HETATM 3031 H3 UFX A 253 18.927 11.801 10.728 1.00 0.00 H +HETATM 3032 H4 UFX A 253 18.171 14.186 10.618 1.00 0.00 H +HETATM 3033 H5 UFX A 253 17.744 13.447 12.155 1.00 0.00 H +HETATM 3034 H6 UFX A 253 18.677 15.757 12.412 1.00 0.00 H +HETATM 3035 H7 UFX A 253 20.196 15.223 11.704 1.00 0.00 H +HETATM 3036 H8 UFX A 253 19.017 14.054 14.083 1.00 0.00 H +HETATM 3037 C1 UFX A 254 23.300 12.858 11.194 1.00 0.00 C +HETATM 3038 C2 UFX A 254 24.032 12.072 12.294 1.00 0.00 C +HETATM 3039 C3 UFX A 254 23.062 11.274 13.176 1.00 0.00 C +HETATM 3040 O1 UFX A 254 22.208 12.164 13.887 1.00 0.00 O +HETATM 3041 H1 UFX A 254 22.740 12.179 10.550 1.00 0.00 H +HETATM 3042 H2 UFX A 254 22.605 13.576 11.630 1.00 0.00 H +HETATM 3043 H3 UFX A 254 24.017 13.403 10.579 1.00 0.00 H +HETATM 3044 H4 UFX A 254 24.738 11.383 11.830 1.00 0.00 H +HETATM 3045 H5 UFX A 254 24.605 12.756 12.920 1.00 0.00 H +HETATM 3046 H6 UFX A 254 23.628 10.669 13.885 1.00 0.00 H +HETATM 3047 H7 UFX A 254 22.470 10.597 12.560 1.00 0.00 H +HETATM 3048 H8 UFX A 254 22.723 12.800 14.429 1.00 0.00 H +HETATM 3049 C1 UFX A 255 13.884 14.154 3.103 1.00 0.00 C +HETATM 3050 C2 UFX A 255 12.737 13.128 3.055 1.00 0.00 C +HETATM 3051 C3 UFX A 255 13.225 11.712 3.387 1.00 0.00 C +HETATM 3052 O1 UFX A 255 14.198 11.282 2.438 1.00 0.00 O +HETATM 3053 H1 UFX A 255 14.373 14.141 4.077 1.00 0.00 H +HETATM 3054 H2 UFX A 255 14.626 13.931 2.336 1.00 0.00 H +HETATM 3055 H3 UFX A 255 13.499 15.158 2.924 1.00 0.00 H +HETATM 3056 H4 UFX A 255 11.967 13.415 3.772 1.00 0.00 H +HETATM 3057 H5 UFX A 255 12.277 13.136 2.067 1.00 0.00 H +HETATM 3058 H6 UFX A 255 12.381 11.022 3.384 1.00 0.00 H +HETATM 3059 H7 UFX A 255 13.657 11.694 4.388 1.00 0.00 H +HETATM 3060 H8 UFX A 255 13.839 11.245 1.526 1.00 0.00 H +HETATM 3061 C1 UFX A 256 27.861 8.149 26.063 1.00 0.00 C +HETATM 3062 C2 UFX A 256 27.382 6.703 26.259 1.00 0.00 C +HETATM 3063 C3 UFX A 256 26.122 6.370 25.440 1.00 0.00 C +HETATM 3064 O1 UFX A 256 25.064 7.286 25.719 1.00 0.00 O +HETATM 3065 H1 UFX A 256 28.050 8.356 25.009 1.00 0.00 H +HETATM 3066 H2 UFX A 256 27.118 8.852 26.439 1.00 0.00 H +HETATM 3067 H3 UFX A 256 28.785 8.312 26.617 1.00 0.00 H +HETATM 3068 H4 UFX A 256 28.183 6.025 25.965 1.00 0.00 H +HETATM 3069 H5 UFX A 256 27.185 6.529 27.317 1.00 0.00 H +HETATM 3070 H6 UFX A 256 25.797 5.359 25.686 1.00 0.00 H +HETATM 3071 H7 UFX A 256 26.352 6.388 24.375 1.00 0.00 H +HETATM 3072 H8 UFX A 256 25.177 8.132 25.235 1.00 0.00 H +TER 3073 UFX A 256 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 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224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 +CONECT 240 232 +CONECT 241 242 245 246 247 +CONECT 242 241 243 248 249 +CONECT 243 242 244 250 251 +CONECT 244 243 252 +CONECT 245 241 +CONECT 246 241 +CONECT 247 241 +CONECT 248 242 +CONECT 249 242 +CONECT 250 243 +CONECT 251 243 +CONECT 252 244 +CONECT 253 254 257 258 259 +CONECT 254 253 255 260 261 +CONECT 255 254 256 262 263 +CONECT 256 255 264 +CONECT 257 253 +CONECT 258 253 +CONECT 259 253 +CONECT 260 254 +CONECT 261 254 +CONECT 262 255 +CONECT 263 255 +CONECT 264 256 +CONECT 265 266 269 270 271 +CONECT 266 265 267 272 273 +CONECT 267 266 268 274 275 +CONECT 268 267 276 +CONECT 269 265 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432 +CONECT 425 421 +CONECT 426 421 +CONECT 427 421 +CONECT 428 422 +CONECT 429 422 +CONECT 430 423 +CONECT 431 423 +CONECT 432 424 +CONECT 433 434 437 438 439 +CONECT 434 433 435 440 441 +CONECT 435 434 436 442 443 +CONECT 436 435 444 +CONECT 437 433 +CONECT 438 433 +CONECT 439 433 +CONECT 440 434 +CONECT 441 434 +CONECT 442 435 +CONECT 443 435 +CONECT 444 436 +CONECT 445 446 449 450 451 +CONECT 446 445 447 452 453 +CONECT 447 446 448 454 455 +CONECT 448 447 456 +CONECT 449 445 +CONECT 450 445 +CONECT 451 445 +CONECT 452 446 +CONECT 453 446 +CONECT 454 447 +CONECT 455 447 +CONECT 456 448 +CONECT 457 458 461 462 463 +CONECT 458 457 459 464 465 +CONECT 459 458 460 466 467 +CONECT 460 459 468 +CONECT 461 457 +CONECT 462 457 +CONECT 463 457 +CONECT 464 458 +CONECT 465 458 +CONECT 466 459 +CONECT 467 459 +CONECT 468 460 +CONECT 469 470 473 474 475 +CONECT 470 469 471 476 477 +CONECT 471 470 472 478 479 +CONECT 472 471 480 +CONECT 473 469 +CONECT 474 469 +CONECT 475 469 +CONECT 476 470 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529 530 533 534 535 +CONECT 530 529 531 536 537 +CONECT 531 530 532 538 539 +CONECT 532 531 540 +CONECT 533 529 +CONECT 534 529 +CONECT 535 529 +CONECT 536 530 +CONECT 537 530 +CONECT 538 531 +CONECT 539 531 +CONECT 540 532 +CONECT 541 542 545 546 547 +CONECT 542 541 543 548 549 +CONECT 543 542 544 550 551 +CONECT 544 543 552 +CONECT 545 541 +CONECT 546 541 +CONECT 547 541 +CONECT 548 542 +CONECT 549 542 +CONECT 550 543 +CONECT 551 543 +CONECT 552 544 +CONECT 553 554 557 558 559 +CONECT 554 553 555 560 561 +CONECT 555 554 556 562 563 +CONECT 556 555 564 +CONECT 557 553 +CONECT 558 553 +CONECT 559 553 +CONECT 560 554 +CONECT 561 554 +CONECT 562 555 +CONECT 563 555 +CONECT 564 556 +CONECT 565 566 569 570 571 +CONECT 566 565 567 572 573 +CONECT 567 566 568 574 575 +CONECT 568 567 576 +CONECT 569 565 +CONECT 570 565 +CONECT 571 565 +CONECT 572 566 +CONECT 573 566 +CONECT 574 567 +CONECT 575 567 +CONECT 576 568 +CONECT 577 578 581 582 583 +CONECT 578 577 579 584 585 +CONECT 579 578 580 586 587 +CONECT 580 579 588 +CONECT 581 577 +CONECT 582 577 +CONECT 583 577 +CONECT 584 578 +CONECT 585 578 +CONECT 586 579 +CONECT 587 579 +CONECT 588 580 +CONECT 589 590 593 594 595 +CONECT 590 589 591 596 597 +CONECT 591 590 592 598 599 +CONECT 592 591 600 +CONECT 593 589 +CONECT 594 589 +CONECT 595 589 +CONECT 596 590 +CONECT 597 590 +CONECT 598 591 +CONECT 599 591 +CONECT 600 592 +CONECT 601 602 605 606 607 +CONECT 602 601 603 608 609 +CONECT 603 602 604 610 611 +CONECT 604 603 612 +CONECT 605 601 +CONECT 606 601 +CONECT 607 601 +CONECT 608 602 +CONECT 609 602 +CONECT 610 603 +CONECT 611 603 +CONECT 612 604 +CONECT 613 614 617 618 619 +CONECT 614 613 615 620 621 +CONECT 615 614 616 622 623 +CONECT 616 615 624 +CONECT 617 613 +CONECT 618 613 +CONECT 619 613 +CONECT 620 614 +CONECT 621 614 +CONECT 622 615 +CONECT 623 615 +CONECT 624 616 +CONECT 625 626 629 630 631 +CONECT 626 625 627 632 633 +CONECT 627 626 628 634 635 +CONECT 628 627 636 +CONECT 629 625 +CONECT 630 625 +CONECT 631 625 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735 734 736 742 743 +CONECT 736 735 744 +CONECT 737 733 +CONECT 738 733 +CONECT 739 733 +CONECT 740 734 +CONECT 741 734 +CONECT 742 735 +CONECT 743 735 +CONECT 744 736 +CONECT 745 746 749 750 751 +CONECT 746 745 747 752 753 +CONECT 747 746 748 754 755 +CONECT 748 747 756 +CONECT 749 745 +CONECT 750 745 +CONECT 751 745 +CONECT 752 746 +CONECT 753 746 +CONECT 754 747 +CONECT 755 747 +CONECT 756 748 +CONECT 757 758 761 762 763 +CONECT 758 757 759 764 765 +CONECT 759 758 760 766 767 +CONECT 760 759 768 +CONECT 761 757 +CONECT 762 757 +CONECT 763 757 +CONECT 764 758 +CONECT 765 758 +CONECT 766 759 +CONECT 767 759 +CONECT 768 760 +CONECT 769 770 773 774 775 +CONECT 770 769 771 776 777 +CONECT 771 770 772 778 779 +CONECT 772 771 780 +CONECT 773 769 +CONECT 774 769 +CONECT 775 769 +CONECT 776 770 +CONECT 777 770 +CONECT 778 771 +CONECT 779 771 +CONECT 780 772 +CONECT 781 782 785 786 787 +CONECT 782 781 783 788 789 +CONECT 783 782 784 790 791 +CONECT 784 783 792 +CONECT 785 781 +CONECT 786 781 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1812 +CONECT 1805 1801 +CONECT 1806 1801 +CONECT 1807 1801 +CONECT 1808 1802 +CONECT 1809 1802 +CONECT 1810 1803 +CONECT 1811 1803 +CONECT 1812 1804 +CONECT 1813 1814 1817 1818 1819 +CONECT 1814 1813 1815 1820 1821 +CONECT 1815 1814 1816 1822 1823 +CONECT 1816 1815 1824 +CONECT 1817 1813 +CONECT 1818 1813 +CONECT 1819 1813 +CONECT 1820 1814 +CONECT 1821 1814 +CONECT 1822 1815 +CONECT 1823 1815 +CONECT 1824 1816 +CONECT 1825 1826 1829 1830 1831 +CONECT 1826 1825 1827 1832 1833 +CONECT 1827 1826 1828 1834 1835 +CONECT 1828 1827 1836 +CONECT 1829 1825 +CONECT 1830 1825 +CONECT 1831 1825 +CONECT 1832 1826 +CONECT 1833 1826 +CONECT 1834 1827 +CONECT 1835 1827 +CONECT 1836 1828 +CONECT 1837 1838 1841 1842 1843 +CONECT 1838 1837 1839 1844 1845 +CONECT 1839 1838 1840 1846 1847 +CONECT 1840 1839 1848 +CONECT 1841 1837 +CONECT 1842 1837 +CONECT 1843 1837 +CONECT 1844 1838 +CONECT 1845 1838 +CONECT 1846 1839 +CONECT 1847 1839 +CONECT 1848 1840 +CONECT 1849 1850 1853 1854 1855 +CONECT 1850 1849 1851 1856 1857 +CONECT 1851 1850 1852 1858 1859 +CONECT 1852 1851 1860 +CONECT 1853 1849 +CONECT 1854 1849 +CONECT 1855 1849 +CONECT 1856 1850 +CONECT 1857 1850 +CONECT 1858 1851 +CONECT 1859 1851 +CONECT 1860 1852 +CONECT 1861 1862 1865 1866 1867 +CONECT 1862 1861 1863 1868 1869 +CONECT 1863 1862 1864 1870 1871 +CONECT 1864 1863 1872 +CONECT 1865 1861 +CONECT 1866 1861 +CONECT 1867 1861 +CONECT 1868 1862 +CONECT 1869 1862 +CONECT 1870 1863 +CONECT 1871 1863 +CONECT 1872 1864 +CONECT 1873 1874 1877 1878 1879 +CONECT 1874 1873 1875 1880 1881 +CONECT 1875 1874 1876 1882 1883 +CONECT 1876 1875 1884 +CONECT 1877 1873 +CONECT 1878 1873 +CONECT 1879 1873 +CONECT 1880 1874 +CONECT 1881 1874 +CONECT 1882 1875 +CONECT 1883 1875 +CONECT 1884 1876 +CONECT 1885 1886 1889 1890 1891 +CONECT 1886 1885 1887 1892 1893 +CONECT 1887 1886 1888 1894 1895 +CONECT 1888 1887 1896 +CONECT 1889 1885 +CONECT 1890 1885 +CONECT 1891 1885 +CONECT 1892 1886 +CONECT 1893 1886 +CONECT 1894 1887 +CONECT 1895 1887 +CONECT 1896 1888 +CONECT 1897 1898 1901 1902 1903 +CONECT 1898 1897 1899 1904 1905 +CONECT 1899 1898 1900 1906 1907 +CONECT 1900 1899 1908 +CONECT 1901 1897 +CONECT 1902 1897 +CONECT 1903 1897 +CONECT 1904 1898 +CONECT 1905 1898 +CONECT 1906 1899 +CONECT 1907 1899 +CONECT 1908 1900 +CONECT 1909 1910 1913 1914 1915 +CONECT 1910 1909 1911 1916 1917 +CONECT 1911 1910 1912 1918 1919 +CONECT 1912 1911 1920 +CONECT 1913 1909 +CONECT 1914 1909 +CONECT 1915 1909 +CONECT 1916 1910 +CONECT 1917 1910 +CONECT 1918 1911 +CONECT 1919 1911 +CONECT 1920 1912 +CONECT 1921 1922 1925 1926 1927 +CONECT 1922 1921 1923 1928 1929 +CONECT 1923 1922 1924 1930 1931 +CONECT 1924 1923 1932 +CONECT 1925 1921 +CONECT 1926 1921 +CONECT 1927 1921 +CONECT 1928 1922 +CONECT 1929 1922 +CONECT 1930 1923 +CONECT 1931 1923 +CONECT 1932 1924 +CONECT 1933 1934 1937 1938 1939 +CONECT 1934 1933 1935 1940 1941 +CONECT 1935 1934 1936 1942 1943 +CONECT 1936 1935 1944 +CONECT 1937 1933 +CONECT 1938 1933 +CONECT 1939 1933 +CONECT 1940 1934 +CONECT 1941 1934 +CONECT 1942 1935 +CONECT 1943 1935 +CONECT 1944 1936 +CONECT 1945 1946 1949 1950 1951 +CONECT 1946 1945 1947 1952 1953 +CONECT 1947 1946 1948 1954 1955 +CONECT 1948 1947 1956 +CONECT 1949 1945 +CONECT 1950 1945 +CONECT 1951 1945 +CONECT 1952 1946 +CONECT 1953 1946 +CONECT 1954 1947 +CONECT 1955 1947 +CONECT 1956 1948 +CONECT 1957 1958 1961 1962 1963 +CONECT 1958 1957 1959 1964 1965 +CONECT 1959 1958 1960 1966 1967 +CONECT 1960 1959 1968 +CONECT 1961 1957 +CONECT 1962 1957 +CONECT 1963 1957 +CONECT 1964 1958 +CONECT 1965 1958 +CONECT 1966 1959 +CONECT 1967 1959 +CONECT 1968 1960 +CONECT 1969 1970 1973 1974 1975 +CONECT 1970 1969 1971 1976 1977 +CONECT 1971 1970 1972 1978 1979 +CONECT 1972 1971 1980 +CONECT 1973 1969 +CONECT 1974 1969 +CONECT 1975 1969 +CONECT 1976 1970 +CONECT 1977 1970 +CONECT 1978 1971 +CONECT 1979 1971 +CONECT 1980 1972 +CONECT 1981 1982 1985 1986 1987 +CONECT 1982 1981 1983 1988 1989 +CONECT 1983 1982 1984 1990 1991 +CONECT 1984 1983 1992 +CONECT 1985 1981 +CONECT 1986 1981 +CONECT 1987 1981 +CONECT 1988 1982 +CONECT 1989 1982 +CONECT 1990 1983 +CONECT 1991 1983 +CONECT 1992 1984 +CONECT 1993 1994 1997 1998 1999 +CONECT 1994 1993 1995 2000 2001 +CONECT 1995 1994 1996 2002 2003 +CONECT 1996 1995 2004 +CONECT 1997 1993 +CONECT 1998 1993 +CONECT 1999 1993 +CONECT 2000 1994 +CONECT 2001 1994 +CONECT 2002 1995 +CONECT 2003 1995 +CONECT 2004 1996 +CONECT 2005 2006 2009 2010 2011 +CONECT 2006 2005 2007 2012 2013 +CONECT 2007 2006 2008 2014 2015 +CONECT 2008 2007 2016 +CONECT 2009 2005 +CONECT 2010 2005 +CONECT 2011 2005 +CONECT 2012 2006 +CONECT 2013 2006 +CONECT 2014 2007 +CONECT 2015 2007 +CONECT 2016 2008 +CONECT 2017 2018 2021 2022 2023 +CONECT 2018 2017 2019 2024 2025 +CONECT 2019 2018 2020 2026 2027 +CONECT 2020 2019 2028 +CONECT 2021 2017 +CONECT 2022 2017 +CONECT 2023 2017 +CONECT 2024 2018 +CONECT 2025 2018 +CONECT 2026 2019 +CONECT 2027 2019 +CONECT 2028 2020 +CONECT 2029 2030 2033 2034 2035 +CONECT 2030 2029 2031 2036 2037 +CONECT 2031 2030 2032 2038 2039 +CONECT 2032 2031 2040 +CONECT 2033 2029 +CONECT 2034 2029 +CONECT 2035 2029 +CONECT 2036 2030 +CONECT 2037 2030 +CONECT 2038 2031 +CONECT 2039 2031 +CONECT 2040 2032 +CONECT 2041 2042 2045 2046 2047 +CONECT 2042 2041 2043 2048 2049 +CONECT 2043 2042 2044 2050 2051 +CONECT 2044 2043 2052 +CONECT 2045 2041 +CONECT 2046 2041 +CONECT 2047 2041 +CONECT 2048 2042 +CONECT 2049 2042 +CONECT 2050 2043 +CONECT 2051 2043 +CONECT 2052 2044 +CONECT 2053 2054 2057 2058 2059 +CONECT 2054 2053 2055 2060 2061 +CONECT 2055 2054 2056 2062 2063 +CONECT 2056 2055 2064 +CONECT 2057 2053 +CONECT 2058 2053 +CONECT 2059 2053 +CONECT 2060 2054 +CONECT 2061 2054 +CONECT 2062 2055 +CONECT 2063 2055 +CONECT 2064 2056 +CONECT 2065 2066 2069 2070 2071 +CONECT 2066 2065 2067 2072 2073 +CONECT 2067 2066 2068 2074 2075 +CONECT 2068 2067 2076 +CONECT 2069 2065 +CONECT 2070 2065 +CONECT 2071 2065 +CONECT 2072 2066 +CONECT 2073 2066 +CONECT 2074 2067 +CONECT 2075 2067 +CONECT 2076 2068 +CONECT 2077 2078 2081 2082 2083 +CONECT 2078 2077 2079 2084 2085 +CONECT 2079 2078 2080 2086 2087 +CONECT 2080 2079 2088 +CONECT 2081 2077 +CONECT 2082 2077 +CONECT 2083 2077 +CONECT 2084 2078 +CONECT 2085 2078 +CONECT 2086 2079 +CONECT 2087 2079 +CONECT 2088 2080 +CONECT 2089 2090 2093 2094 2095 +CONECT 2090 2089 2091 2096 2097 +CONECT 2091 2090 2092 2098 2099 +CONECT 2092 2091 2100 +CONECT 2093 2089 +CONECT 2094 2089 +CONECT 2095 2089 +CONECT 2096 2090 +CONECT 2097 2090 +CONECT 2098 2091 +CONECT 2099 2091 +CONECT 2100 2092 +CONECT 2101 2102 2105 2106 2107 +CONECT 2102 2101 2103 2108 2109 +CONECT 2103 2102 2104 2110 2111 +CONECT 2104 2103 2112 +CONECT 2105 2101 +CONECT 2106 2101 +CONECT 2107 2101 +CONECT 2108 2102 +CONECT 2109 2102 +CONECT 2110 2103 +CONECT 2111 2103 +CONECT 2112 2104 +CONECT 2113 2114 2117 2118 2119 +CONECT 2114 2113 2115 2120 2121 +CONECT 2115 2114 2116 2122 2123 +CONECT 2116 2115 2124 +CONECT 2117 2113 +CONECT 2118 2113 +CONECT 2119 2113 +CONECT 2120 2114 +CONECT 2121 2114 +CONECT 2122 2115 +CONECT 2123 2115 +CONECT 2124 2116 +CONECT 2125 2126 2129 2130 2131 +CONECT 2126 2125 2127 2132 2133 +CONECT 2127 2126 2128 2134 2135 +CONECT 2128 2127 2136 +CONECT 2129 2125 +CONECT 2130 2125 +CONECT 2131 2125 +CONECT 2132 2126 +CONECT 2133 2126 +CONECT 2134 2127 +CONECT 2135 2127 +CONECT 2136 2128 +CONECT 2137 2138 2141 2142 2143 +CONECT 2138 2137 2139 2144 2145 +CONECT 2139 2138 2140 2146 2147 +CONECT 2140 2139 2148 +CONECT 2141 2137 +CONECT 2142 2137 +CONECT 2143 2137 +CONECT 2144 2138 +CONECT 2145 2138 +CONECT 2146 2139 +CONECT 2147 2139 +CONECT 2148 2140 +CONECT 2149 2150 2153 2154 2155 +CONECT 2150 2149 2151 2156 2157 +CONECT 2151 2150 2152 2158 2159 +CONECT 2152 2151 2160 +CONECT 2153 2149 +CONECT 2154 2149 +CONECT 2155 2149 +CONECT 2156 2150 +CONECT 2157 2150 +CONECT 2158 2151 +CONECT 2159 2151 +CONECT 2160 2152 +CONECT 2161 2162 2165 2166 2167 +CONECT 2162 2161 2163 2168 2169 +CONECT 2163 2162 2164 2170 2171 +CONECT 2164 2163 2172 +CONECT 2165 2161 +CONECT 2166 2161 +CONECT 2167 2161 +CONECT 2168 2162 +CONECT 2169 2162 +CONECT 2170 2163 +CONECT 2171 2163 +CONECT 2172 2164 +CONECT 2173 2174 2177 2178 2179 +CONECT 2174 2173 2175 2180 2181 +CONECT 2175 2174 2176 2182 2183 +CONECT 2176 2175 2184 +CONECT 2177 2173 +CONECT 2178 2173 +CONECT 2179 2173 +CONECT 2180 2174 +CONECT 2181 2174 +CONECT 2182 2175 +CONECT 2183 2175 +CONECT 2184 2176 +CONECT 2185 2186 2189 2190 2191 +CONECT 2186 2185 2187 2192 2193 +CONECT 2187 2186 2188 2194 2195 +CONECT 2188 2187 2196 +CONECT 2189 2185 +CONECT 2190 2185 +CONECT 2191 2185 +CONECT 2192 2186 +CONECT 2193 2186 +CONECT 2194 2187 +CONECT 2195 2187 +CONECT 2196 2188 +CONECT 2197 2198 2201 2202 2203 +CONECT 2198 2197 2199 2204 2205 +CONECT 2199 2198 2200 2206 2207 +CONECT 2200 2199 2208 +CONECT 2201 2197 +CONECT 2202 2197 +CONECT 2203 2197 +CONECT 2204 2198 +CONECT 2205 2198 +CONECT 2206 2199 +CONECT 2207 2199 +CONECT 2208 2200 +CONECT 2209 2210 2213 2214 2215 +CONECT 2210 2209 2211 2216 2217 +CONECT 2211 2210 2212 2218 2219 +CONECT 2212 2211 2220 +CONECT 2213 2209 +CONECT 2214 2209 +CONECT 2215 2209 +CONECT 2216 2210 +CONECT 2217 2210 +CONECT 2218 2211 +CONECT 2219 2211 +CONECT 2220 2212 +CONECT 2221 2222 2225 2226 2227 +CONECT 2222 2221 2223 2228 2229 +CONECT 2223 2222 2224 2230 2231 +CONECT 2224 2223 2232 +CONECT 2225 2221 +CONECT 2226 2221 +CONECT 2227 2221 +CONECT 2228 2222 +CONECT 2229 2222 +CONECT 2230 2223 +CONECT 2231 2223 +CONECT 2232 2224 +CONECT 2233 2234 2237 2238 2239 +CONECT 2234 2233 2235 2240 2241 +CONECT 2235 2234 2236 2242 2243 +CONECT 2236 2235 2244 +CONECT 2237 2233 +CONECT 2238 2233 +CONECT 2239 2233 +CONECT 2240 2234 +CONECT 2241 2234 +CONECT 2242 2235 +CONECT 2243 2235 +CONECT 2244 2236 +CONECT 2245 2246 2249 2250 2251 +CONECT 2246 2245 2247 2252 2253 +CONECT 2247 2246 2248 2254 2255 +CONECT 2248 2247 2256 +CONECT 2249 2245 +CONECT 2250 2245 +CONECT 2251 2245 +CONECT 2252 2246 +CONECT 2253 2246 +CONECT 2254 2247 +CONECT 2255 2247 +CONECT 2256 2248 +CONECT 2257 2258 2261 2262 2263 +CONECT 2258 2257 2259 2264 2265 +CONECT 2259 2258 2260 2266 2267 +CONECT 2260 2259 2268 +CONECT 2261 2257 +CONECT 2262 2257 +CONECT 2263 2257 +CONECT 2264 2258 +CONECT 2265 2258 +CONECT 2266 2259 +CONECT 2267 2259 +CONECT 2268 2260 +CONECT 2269 2270 2273 2274 2275 +CONECT 2270 2269 2271 2276 2277 +CONECT 2271 2270 2272 2278 2279 +CONECT 2272 2271 2280 +CONECT 2273 2269 +CONECT 2274 2269 +CONECT 2275 2269 +CONECT 2276 2270 +CONECT 2277 2270 +CONECT 2278 2271 +CONECT 2279 2271 +CONECT 2280 2272 +CONECT 2281 2282 2285 2286 2287 +CONECT 2282 2281 2283 2288 2289 +CONECT 2283 2282 2284 2290 2291 +CONECT 2284 2283 2292 +CONECT 2285 2281 +CONECT 2286 2281 +CONECT 2287 2281 +CONECT 2288 2282 +CONECT 2289 2282 +CONECT 2290 2283 +CONECT 2291 2283 +CONECT 2292 2284 +CONECT 2293 2294 2297 2298 2299 +CONECT 2294 2293 2295 2300 2301 +CONECT 2295 2294 2296 2302 2303 +CONECT 2296 2295 2304 +CONECT 2297 2293 +CONECT 2298 2293 +CONECT 2299 2293 +CONECT 2300 2294 +CONECT 2301 2294 +CONECT 2302 2295 +CONECT 2303 2295 +CONECT 2304 2296 +CONECT 2305 2306 2309 2310 2311 +CONECT 2306 2305 2307 2312 2313 +CONECT 2307 2306 2308 2314 2315 +CONECT 2308 2307 2316 +CONECT 2309 2305 +CONECT 2310 2305 +CONECT 2311 2305 +CONECT 2312 2306 +CONECT 2313 2306 +CONECT 2314 2307 +CONECT 2315 2307 +CONECT 2316 2308 +CONECT 2317 2318 2321 2322 2323 +CONECT 2318 2317 2319 2324 2325 +CONECT 2319 2318 2320 2326 2327 +CONECT 2320 2319 2328 +CONECT 2321 2317 +CONECT 2322 2317 +CONECT 2323 2317 +CONECT 2324 2318 +CONECT 2325 2318 +CONECT 2326 2319 +CONECT 2327 2319 +CONECT 2328 2320 +CONECT 2329 2330 2333 2334 2335 +CONECT 2330 2329 2331 2336 2337 +CONECT 2331 2330 2332 2338 2339 +CONECT 2332 2331 2340 +CONECT 2333 2329 +CONECT 2334 2329 +CONECT 2335 2329 +CONECT 2336 2330 +CONECT 2337 2330 +CONECT 2338 2331 +CONECT 2339 2331 +CONECT 2340 2332 +CONECT 2341 2342 2345 2346 2347 +CONECT 2342 2341 2343 2348 2349 +CONECT 2343 2342 2344 2350 2351 +CONECT 2344 2343 2352 +CONECT 2345 2341 +CONECT 2346 2341 +CONECT 2347 2341 +CONECT 2348 2342 +CONECT 2349 2342 +CONECT 2350 2343 +CONECT 2351 2343 +CONECT 2352 2344 +CONECT 2353 2354 2357 2358 2359 +CONECT 2354 2353 2355 2360 2361 +CONECT 2355 2354 2356 2362 2363 +CONECT 2356 2355 2364 +CONECT 2357 2353 +CONECT 2358 2353 +CONECT 2359 2353 +CONECT 2360 2354 +CONECT 2361 2354 +CONECT 2362 2355 +CONECT 2363 2355 +CONECT 2364 2356 +CONECT 2365 2366 2369 2370 2371 +CONECT 2366 2365 2367 2372 2373 +CONECT 2367 2366 2368 2374 2375 +CONECT 2368 2367 2376 +CONECT 2369 2365 +CONECT 2370 2365 +CONECT 2371 2365 +CONECT 2372 2366 +CONECT 2373 2366 +CONECT 2374 2367 +CONECT 2375 2367 +CONECT 2376 2368 +CONECT 2377 2378 2381 2382 2383 +CONECT 2378 2377 2379 2384 2385 +CONECT 2379 2378 2380 2386 2387 +CONECT 2380 2379 2388 +CONECT 2381 2377 +CONECT 2382 2377 +CONECT 2383 2377 +CONECT 2384 2378 +CONECT 2385 2378 +CONECT 2386 2379 +CONECT 2387 2379 +CONECT 2388 2380 +CONECT 2389 2390 2393 2394 2395 +CONECT 2390 2389 2391 2396 2397 +CONECT 2391 2390 2392 2398 2399 +CONECT 2392 2391 2400 +CONECT 2393 2389 +CONECT 2394 2389 +CONECT 2395 2389 +CONECT 2396 2390 +CONECT 2397 2390 +CONECT 2398 2391 +CONECT 2399 2391 +CONECT 2400 2392 +CONECT 2401 2402 2405 2406 2407 +CONECT 2402 2401 2403 2408 2409 +CONECT 2403 2402 2404 2410 2411 +CONECT 2404 2403 2412 +CONECT 2405 2401 +CONECT 2406 2401 +CONECT 2407 2401 +CONECT 2408 2402 +CONECT 2409 2402 +CONECT 2410 2403 +CONECT 2411 2403 +CONECT 2412 2404 +CONECT 2413 2414 2417 2418 2419 +CONECT 2414 2413 2415 2420 2421 +CONECT 2415 2414 2416 2422 2423 +CONECT 2416 2415 2424 +CONECT 2417 2413 +CONECT 2418 2413 +CONECT 2419 2413 +CONECT 2420 2414 +CONECT 2421 2414 +CONECT 2422 2415 +CONECT 2423 2415 +CONECT 2424 2416 +CONECT 2425 2426 2429 2430 2431 +CONECT 2426 2425 2427 2432 2433 +CONECT 2427 2426 2428 2434 2435 +CONECT 2428 2427 2436 +CONECT 2429 2425 +CONECT 2430 2425 +CONECT 2431 2425 +CONECT 2432 2426 +CONECT 2433 2426 +CONECT 2434 2427 +CONECT 2435 2427 +CONECT 2436 2428 +CONECT 2437 2438 2441 2442 2443 +CONECT 2438 2437 2439 2444 2445 +CONECT 2439 2438 2440 2446 2447 +CONECT 2440 2439 2448 +CONECT 2441 2437 +CONECT 2442 2437 +CONECT 2443 2437 +CONECT 2444 2438 +CONECT 2445 2438 +CONECT 2446 2439 +CONECT 2447 2439 +CONECT 2448 2440 +CONECT 2449 2450 2453 2454 2455 +CONECT 2450 2449 2451 2456 2457 +CONECT 2451 2450 2452 2458 2459 +CONECT 2452 2451 2460 +CONECT 2453 2449 +CONECT 2454 2449 +CONECT 2455 2449 +CONECT 2456 2450 +CONECT 2457 2450 +CONECT 2458 2451 +CONECT 2459 2451 +CONECT 2460 2452 +CONECT 2461 2462 2465 2466 2467 +CONECT 2462 2461 2463 2468 2469 +CONECT 2463 2462 2464 2470 2471 +CONECT 2464 2463 2472 +CONECT 2465 2461 +CONECT 2466 2461 +CONECT 2467 2461 +CONECT 2468 2462 +CONECT 2469 2462 +CONECT 2470 2463 +CONECT 2471 2463 +CONECT 2472 2464 +CONECT 2473 2474 2477 2478 2479 +CONECT 2474 2473 2475 2480 2481 +CONECT 2475 2474 2476 2482 2483 +CONECT 2476 2475 2484 +CONECT 2477 2473 +CONECT 2478 2473 +CONECT 2479 2473 +CONECT 2480 2474 +CONECT 2481 2474 +CONECT 2482 2475 +CONECT 2483 2475 +CONECT 2484 2476 +CONECT 2485 2486 2489 2490 2491 +CONECT 2486 2485 2487 2492 2493 +CONECT 2487 2486 2488 2494 2495 +CONECT 2488 2487 2496 +CONECT 2489 2485 +CONECT 2490 2485 +CONECT 2491 2485 +CONECT 2492 2486 +CONECT 2493 2486 +CONECT 2494 2487 +CONECT 2495 2487 +CONECT 2496 2488 +CONECT 2497 2498 2501 2502 2503 +CONECT 2498 2497 2499 2504 2505 +CONECT 2499 2498 2500 2506 2507 +CONECT 2500 2499 2508 +CONECT 2501 2497 +CONECT 2502 2497 +CONECT 2503 2497 +CONECT 2504 2498 +CONECT 2505 2498 +CONECT 2506 2499 +CONECT 2507 2499 +CONECT 2508 2500 +CONECT 2509 2510 2513 2514 2515 +CONECT 2510 2509 2511 2516 2517 +CONECT 2511 2510 2512 2518 2519 +CONECT 2512 2511 2520 +CONECT 2513 2509 +CONECT 2514 2509 +CONECT 2515 2509 +CONECT 2516 2510 +CONECT 2517 2510 +CONECT 2518 2511 +CONECT 2519 2511 +CONECT 2520 2512 +CONECT 2521 2522 2525 2526 2527 +CONECT 2522 2521 2523 2528 2529 +CONECT 2523 2522 2524 2530 2531 +CONECT 2524 2523 2532 +CONECT 2525 2521 +CONECT 2526 2521 +CONECT 2527 2521 +CONECT 2528 2522 +CONECT 2529 2522 +CONECT 2530 2523 +CONECT 2531 2523 +CONECT 2532 2524 +CONECT 2533 2534 2537 2538 2539 +CONECT 2534 2533 2535 2540 2541 +CONECT 2535 2534 2536 2542 2543 +CONECT 2536 2535 2544 +CONECT 2537 2533 +CONECT 2538 2533 +CONECT 2539 2533 +CONECT 2540 2534 +CONECT 2541 2534 +CONECT 2542 2535 +CONECT 2543 2535 +CONECT 2544 2536 +CONECT 2545 2546 2549 2550 2551 +CONECT 2546 2545 2547 2552 2553 +CONECT 2547 2546 2548 2554 2555 +CONECT 2548 2547 2556 +CONECT 2549 2545 +CONECT 2550 2545 +CONECT 2551 2545 +CONECT 2552 2546 +CONECT 2553 2546 +CONECT 2554 2547 +CONECT 2555 2547 +CONECT 2556 2548 +CONECT 2557 2558 2561 2562 2563 +CONECT 2558 2557 2559 2564 2565 +CONECT 2559 2558 2560 2566 2567 +CONECT 2560 2559 2568 +CONECT 2561 2557 +CONECT 2562 2557 +CONECT 2563 2557 +CONECT 2564 2558 +CONECT 2565 2558 +CONECT 2566 2559 +CONECT 2567 2559 +CONECT 2568 2560 +CONECT 2569 2570 2573 2574 2575 +CONECT 2570 2569 2571 2576 2577 +CONECT 2571 2570 2572 2578 2579 +CONECT 2572 2571 2580 +CONECT 2573 2569 +CONECT 2574 2569 +CONECT 2575 2569 +CONECT 2576 2570 +CONECT 2577 2570 +CONECT 2578 2571 +CONECT 2579 2571 +CONECT 2580 2572 +CONECT 2581 2582 2585 2586 2587 +CONECT 2582 2581 2583 2588 2589 +CONECT 2583 2582 2584 2590 2591 +CONECT 2584 2583 2592 +CONECT 2585 2581 +CONECT 2586 2581 +CONECT 2587 2581 +CONECT 2588 2582 +CONECT 2589 2582 +CONECT 2590 2583 +CONECT 2591 2583 +CONECT 2592 2584 +CONECT 2593 2594 2597 2598 2599 +CONECT 2594 2593 2595 2600 2601 +CONECT 2595 2594 2596 2602 2603 +CONECT 2596 2595 2604 +CONECT 2597 2593 +CONECT 2598 2593 +CONECT 2599 2593 +CONECT 2600 2594 +CONECT 2601 2594 +CONECT 2602 2595 +CONECT 2603 2595 +CONECT 2604 2596 +CONECT 2605 2606 2609 2610 2611 +CONECT 2606 2605 2607 2612 2613 +CONECT 2607 2606 2608 2614 2615 +CONECT 2608 2607 2616 +CONECT 2609 2605 +CONECT 2610 2605 +CONECT 2611 2605 +CONECT 2612 2606 +CONECT 2613 2606 +CONECT 2614 2607 +CONECT 2615 2607 +CONECT 2616 2608 +CONECT 2617 2618 2621 2622 2623 +CONECT 2618 2617 2619 2624 2625 +CONECT 2619 2618 2620 2626 2627 +CONECT 2620 2619 2628 +CONECT 2621 2617 +CONECT 2622 2617 +CONECT 2623 2617 +CONECT 2624 2618 +CONECT 2625 2618 +CONECT 2626 2619 +CONECT 2627 2619 +CONECT 2628 2620 +CONECT 2629 2630 2633 2634 2635 +CONECT 2630 2629 2631 2636 2637 +CONECT 2631 2630 2632 2638 2639 +CONECT 2632 2631 2640 +CONECT 2633 2629 +CONECT 2634 2629 +CONECT 2635 2629 +CONECT 2636 2630 +CONECT 2637 2630 +CONECT 2638 2631 +CONECT 2639 2631 +CONECT 2640 2632 +CONECT 2641 2642 2645 2646 2647 +CONECT 2642 2641 2643 2648 2649 +CONECT 2643 2642 2644 2650 2651 +CONECT 2644 2643 2652 +CONECT 2645 2641 +CONECT 2646 2641 +CONECT 2647 2641 +CONECT 2648 2642 +CONECT 2649 2642 +CONECT 2650 2643 +CONECT 2651 2643 +CONECT 2652 2644 +CONECT 2653 2654 2657 2658 2659 +CONECT 2654 2653 2655 2660 2661 +CONECT 2655 2654 2656 2662 2663 +CONECT 2656 2655 2664 +CONECT 2657 2653 +CONECT 2658 2653 +CONECT 2659 2653 +CONECT 2660 2654 +CONECT 2661 2654 +CONECT 2662 2655 +CONECT 2663 2655 +CONECT 2664 2656 +CONECT 2665 2666 2669 2670 2671 +CONECT 2666 2665 2667 2672 2673 +CONECT 2667 2666 2668 2674 2675 +CONECT 2668 2667 2676 +CONECT 2669 2665 +CONECT 2670 2665 +CONECT 2671 2665 +CONECT 2672 2666 +CONECT 2673 2666 +CONECT 2674 2667 +CONECT 2675 2667 +CONECT 2676 2668 +CONECT 2677 2678 2681 2682 2683 +CONECT 2678 2677 2679 2684 2685 +CONECT 2679 2678 2680 2686 2687 +CONECT 2680 2679 2688 +CONECT 2681 2677 +CONECT 2682 2677 +CONECT 2683 2677 +CONECT 2684 2678 +CONECT 2685 2678 +CONECT 2686 2679 +CONECT 2687 2679 +CONECT 2688 2680 +CONECT 2689 2690 2693 2694 2695 +CONECT 2690 2689 2691 2696 2697 +CONECT 2691 2690 2692 2698 2699 +CONECT 2692 2691 2700 +CONECT 2693 2689 +CONECT 2694 2689 +CONECT 2695 2689 +CONECT 2696 2690 +CONECT 2697 2690 +CONECT 2698 2691 +CONECT 2699 2691 +CONECT 2700 2692 +CONECT 2701 2702 2705 2706 2707 +CONECT 2702 2701 2703 2708 2709 +CONECT 2703 2702 2704 2710 2711 +CONECT 2704 2703 2712 +CONECT 2705 2701 +CONECT 2706 2701 +CONECT 2707 2701 +CONECT 2708 2702 +CONECT 2709 2702 +CONECT 2710 2703 +CONECT 2711 2703 +CONECT 2712 2704 +CONECT 2713 2714 2717 2718 2719 +CONECT 2714 2713 2715 2720 2721 +CONECT 2715 2714 2716 2722 2723 +CONECT 2716 2715 2724 +CONECT 2717 2713 +CONECT 2718 2713 +CONECT 2719 2713 +CONECT 2720 2714 +CONECT 2721 2714 +CONECT 2722 2715 +CONECT 2723 2715 +CONECT 2724 2716 +CONECT 2725 2726 2729 2730 2731 +CONECT 2726 2725 2727 2732 2733 +CONECT 2727 2726 2728 2734 2735 +CONECT 2728 2727 2736 +CONECT 2729 2725 +CONECT 2730 2725 +CONECT 2731 2725 +CONECT 2732 2726 +CONECT 2733 2726 +CONECT 2734 2727 +CONECT 2735 2727 +CONECT 2736 2728 +CONECT 2737 2738 2741 2742 2743 +CONECT 2738 2737 2739 2744 2745 +CONECT 2739 2738 2740 2746 2747 +CONECT 2740 2739 2748 +CONECT 2741 2737 +CONECT 2742 2737 +CONECT 2743 2737 +CONECT 2744 2738 +CONECT 2745 2738 +CONECT 2746 2739 +CONECT 2747 2739 +CONECT 2748 2740 +CONECT 2749 2750 2753 2754 2755 +CONECT 2750 2749 2751 2756 2757 +CONECT 2751 2750 2752 2758 2759 +CONECT 2752 2751 2760 +CONECT 2753 2749 +CONECT 2754 2749 +CONECT 2755 2749 +CONECT 2756 2750 +CONECT 2757 2750 +CONECT 2758 2751 +CONECT 2759 2751 +CONECT 2760 2752 +CONECT 2761 2762 2765 2766 2767 +CONECT 2762 2761 2763 2768 2769 +CONECT 2763 2762 2764 2770 2771 +CONECT 2764 2763 2772 +CONECT 2765 2761 +CONECT 2766 2761 +CONECT 2767 2761 +CONECT 2768 2762 +CONECT 2769 2762 +CONECT 2770 2763 +CONECT 2771 2763 +CONECT 2772 2764 +CONECT 2773 2774 2777 2778 2779 +CONECT 2774 2773 2775 2780 2781 +CONECT 2775 2774 2776 2782 2783 +CONECT 2776 2775 2784 +CONECT 2777 2773 +CONECT 2778 2773 +CONECT 2779 2773 +CONECT 2780 2774 +CONECT 2781 2774 +CONECT 2782 2775 +CONECT 2783 2775 +CONECT 2784 2776 +CONECT 2785 2786 2789 2790 2791 +CONECT 2786 2785 2787 2792 2793 +CONECT 2787 2786 2788 2794 2795 +CONECT 2788 2787 2796 +CONECT 2789 2785 +CONECT 2790 2785 +CONECT 2791 2785 +CONECT 2792 2786 +CONECT 2793 2786 +CONECT 2794 2787 +CONECT 2795 2787 +CONECT 2796 2788 +CONECT 2797 2798 2801 2802 2803 +CONECT 2798 2797 2799 2804 2805 +CONECT 2799 2798 2800 2806 2807 +CONECT 2800 2799 2808 +CONECT 2801 2797 +CONECT 2802 2797 +CONECT 2803 2797 +CONECT 2804 2798 +CONECT 2805 2798 +CONECT 2806 2799 +CONECT 2807 2799 +CONECT 2808 2800 +CONECT 2809 2810 2813 2814 2815 +CONECT 2810 2809 2811 2816 2817 +CONECT 2811 2810 2812 2818 2819 +CONECT 2812 2811 2820 +CONECT 2813 2809 +CONECT 2814 2809 +CONECT 2815 2809 +CONECT 2816 2810 +CONECT 2817 2810 +CONECT 2818 2811 +CONECT 2819 2811 +CONECT 2820 2812 +CONECT 2821 2822 2825 2826 2827 +CONECT 2822 2821 2823 2828 2829 +CONECT 2823 2822 2824 2830 2831 +CONECT 2824 2823 2832 +CONECT 2825 2821 +CONECT 2826 2821 +CONECT 2827 2821 +CONECT 2828 2822 +CONECT 2829 2822 +CONECT 2830 2823 +CONECT 2831 2823 +CONECT 2832 2824 +CONECT 2833 2834 2837 2838 2839 +CONECT 2834 2833 2835 2840 2841 +CONECT 2835 2834 2836 2842 2843 +CONECT 2836 2835 2844 +CONECT 2837 2833 +CONECT 2838 2833 +CONECT 2839 2833 +CONECT 2840 2834 +CONECT 2841 2834 +CONECT 2842 2835 +CONECT 2843 2835 +CONECT 2844 2836 +CONECT 2845 2846 2849 2850 2851 +CONECT 2846 2845 2847 2852 2853 +CONECT 2847 2846 2848 2854 2855 +CONECT 2848 2847 2856 +CONECT 2849 2845 +CONECT 2850 2845 +CONECT 2851 2845 +CONECT 2852 2846 +CONECT 2853 2846 +CONECT 2854 2847 +CONECT 2855 2847 +CONECT 2856 2848 +CONECT 2857 2858 2861 2862 2863 +CONECT 2858 2857 2859 2864 2865 +CONECT 2859 2858 2860 2866 2867 +CONECT 2860 2859 2868 +CONECT 2861 2857 +CONECT 2862 2857 +CONECT 2863 2857 +CONECT 2864 2858 +CONECT 2865 2858 +CONECT 2866 2859 +CONECT 2867 2859 +CONECT 2868 2860 +CONECT 2869 2870 2873 2874 2875 +CONECT 2870 2869 2871 2876 2877 +CONECT 2871 2870 2872 2878 2879 +CONECT 2872 2871 2880 +CONECT 2873 2869 +CONECT 2874 2869 +CONECT 2875 2869 +CONECT 2876 2870 +CONECT 2877 2870 +CONECT 2878 2871 +CONECT 2879 2871 +CONECT 2880 2872 +CONECT 2881 2882 2885 2886 2887 +CONECT 2882 2881 2883 2888 2889 +CONECT 2883 2882 2884 2890 2891 +CONECT 2884 2883 2892 +CONECT 2885 2881 +CONECT 2886 2881 +CONECT 2887 2881 +CONECT 2888 2882 +CONECT 2889 2882 +CONECT 2890 2883 +CONECT 2891 2883 +CONECT 2892 2884 +CONECT 2893 2894 2897 2898 2899 +CONECT 2894 2893 2895 2900 2901 +CONECT 2895 2894 2896 2902 2903 +CONECT 2896 2895 2904 +CONECT 2897 2893 +CONECT 2898 2893 +CONECT 2899 2893 +CONECT 2900 2894 +CONECT 2901 2894 +CONECT 2902 2895 +CONECT 2903 2895 +CONECT 2904 2896 +CONECT 2905 2906 2909 2910 2911 +CONECT 2906 2905 2907 2912 2913 +CONECT 2907 2906 2908 2914 2915 +CONECT 2908 2907 2916 +CONECT 2909 2905 +CONECT 2910 2905 +CONECT 2911 2905 +CONECT 2912 2906 +CONECT 2913 2906 +CONECT 2914 2907 +CONECT 2915 2907 +CONECT 2916 2908 +CONECT 2917 2918 2921 2922 2923 +CONECT 2918 2917 2919 2924 2925 +CONECT 2919 2918 2920 2926 2927 +CONECT 2920 2919 2928 +CONECT 2921 2917 +CONECT 2922 2917 +CONECT 2923 2917 +CONECT 2924 2918 +CONECT 2925 2918 +CONECT 2926 2919 +CONECT 2927 2919 +CONECT 2928 2920 +CONECT 2929 2930 2933 2934 2935 +CONECT 2930 2929 2931 2936 2937 +CONECT 2931 2930 2932 2938 2939 +CONECT 2932 2931 2940 +CONECT 2933 2929 +CONECT 2934 2929 +CONECT 2935 2929 +CONECT 2936 2930 +CONECT 2937 2930 +CONECT 2938 2931 +CONECT 2939 2931 +CONECT 2940 2932 +CONECT 2941 2942 2945 2946 2947 +CONECT 2942 2941 2943 2948 2949 +CONECT 2943 2942 2944 2950 2951 +CONECT 2944 2943 2952 +CONECT 2945 2941 +CONECT 2946 2941 +CONECT 2947 2941 +CONECT 2948 2942 +CONECT 2949 2942 +CONECT 2950 2943 +CONECT 2951 2943 +CONECT 2952 2944 +CONECT 2953 2954 2957 2958 2959 +CONECT 2954 2953 2955 2960 2961 +CONECT 2955 2954 2956 2962 2963 +CONECT 2956 2955 2964 +CONECT 2957 2953 +CONECT 2958 2953 +CONECT 2959 2953 +CONECT 2960 2954 +CONECT 2961 2954 +CONECT 2962 2955 +CONECT 2963 2955 +CONECT 2964 2956 +CONECT 2965 2966 2969 2970 2971 +CONECT 2966 2965 2967 2972 2973 +CONECT 2967 2966 2968 2974 2975 +CONECT 2968 2967 2976 +CONECT 2969 2965 +CONECT 2970 2965 +CONECT 2971 2965 +CONECT 2972 2966 +CONECT 2973 2966 +CONECT 2974 2967 +CONECT 2975 2967 +CONECT 2976 2968 +CONECT 2977 2978 2981 2982 2983 +CONECT 2978 2977 2979 2984 2985 +CONECT 2979 2978 2980 2986 2987 +CONECT 2980 2979 2988 +CONECT 2981 2977 +CONECT 2982 2977 +CONECT 2983 2977 +CONECT 2984 2978 +CONECT 2985 2978 +CONECT 2986 2979 +CONECT 2987 2979 +CONECT 2988 2980 +CONECT 2989 2990 2993 2994 2995 +CONECT 2990 2989 2991 2996 2997 +CONECT 2991 2990 2992 2998 2999 +CONECT 2992 2991 3000 +CONECT 2993 2989 +CONECT 2994 2989 +CONECT 2995 2989 +CONECT 2996 2990 +CONECT 2997 2990 +CONECT 2998 2991 +CONECT 2999 2991 +CONECT 3000 2992 +CONECT 3001 3002 3005 3006 3007 +CONECT 3002 3001 3003 3008 3009 +CONECT 3003 3002 3004 3010 3011 +CONECT 3004 3003 3012 +CONECT 3005 3001 +CONECT 3006 3001 +CONECT 3007 3001 +CONECT 3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/openmm_statistics.csv b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/openmm_statistics.csv new file mode 100644 index 00000000..6694df2f --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/openmm_statistics.csv @@ -0,0 +1,21 @@ +#"Step","Potential Energy (kJ/mole)","Kinetic Energy (kJ/mole)","Total Energy (kJ/mole)","Temperature (K)","Box Volume (nm^3)","Density (g/mL)","Speed (ns/day)" +5000,-2091.4689914748087,8777.518130465403,6686.049138990595,294.5571364345145,33.65102836298664,0.7591569324493999,0 +10000,-2156.7392842044355,8588.64897522597,6431.909691021534,288.2190398676683,32.49996698197388,0.7860442282905091,604 +15000,-2307.239439147219,8526.182151454093,6218.9427123068745,286.1227697764064,31.421637939472088,0.8130197259297264,600 +20000,-2396.537009812426,8426.650848467209,6030.113838654783,282.78268489618773,31.450976617844592,0.8122613099180587,599 +25000,-2317.978510119494,8796.87005380982,6478.891543690326,295.2065508863112,32.23789191279083,0.7924343047901588,599 +30000,-2076.9074579321677,8473.298058275734,6396.390600343566,284.34807824993874,32.09926989720321,0.7958564648860916,599 +35000,-2448.6071388528217,8600.25894710375,6151.651808250928,288.6086488687063,32.516296008583815,0.785649492767221,599 +40000,-2579.6066062238315,8331.014833713307,5751.408227489475,279.57331862348894,32.690688520000336,0.7814583486115092,598 +45000,-2535.297785126728,8713.761508461741,6178.463723335013,292.41758312035455,31.865027594419487,0.8017068678229113,597 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+90000,-2406.566094332731,8481.671102477365,6075.105008144634,284.6290619957554,31.562178659636434,0.8093994949240603,596 +95000,-2457.1990914690614,8619.72176332744,6162.522671858378,289.2617846786916,32.05479998582906,0.7969605636942476,596 +100000,-2711.1874515279924,8525.345459756201,5814.158008228209,286.09469196364137,31.59507362015823,0.8085567950540747,596 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/output.pdb new file mode 100644 index 00000000..6e5cf735 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/output.pdb @@ -0,0 +1,6148 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 31.614 31.614 31.614 90.00 90.00 90.00 P 1 1 +HETATM 1 C1 UFX A 1 -1.033 6.277 5.208 1.00 0.00 C +HETATM 2 C2 UFX A 1 -0.372 4.951 5.228 1.00 0.00 C +HETATM 3 C3 UFX A 1 1.087 5.095 4.785 1.00 0.00 C +HETATM 4 O1 UFX A 1 1.148 5.195 3.388 1.00 0.00 O +HETATM 5 H1 UFX A 1 -2.100 6.224 5.429 1.00 0.00 H +HETATM 6 H2 UFX A 1 -0.604 7.020 5.881 1.00 0.00 H +HETATM 7 H3 UFX A 1 -0.913 6.711 4.215 1.00 0.00 H +HETATM 8 H4 UFX A 1 -0.302 4.514 6.224 1.00 0.00 H +HETATM 9 H5 UFX A 1 -0.857 4.234 4.566 1.00 0.00 H +HETATM 10 H6 UFX A 1 1.620 4.159 4.959 1.00 0.00 H +HETATM 11 H7 UFX A 1 1.591 5.873 5.358 1.00 0.00 H +HETATM 12 H8 UFX A 1 2.009 4.892 3.028 1.00 0.00 H +HETATM 13 C1 UFX A 2 5.780 20.695 -0.981 1.00 0.00 C +HETATM 14 C2 UFX A 2 7.015 20.500 -1.831 1.00 0.00 C +HETATM 15 C3 UFX A 2 7.246 19.081 -2.357 1.00 0.00 C +HETATM 16 O1 UFX A 2 8.482 19.157 -3.117 1.00 0.00 O +HETATM 17 H1 UFX A 2 4.943 20.641 -1.677 1.00 0.00 H +HETATM 18 H2 UFX A 2 5.684 19.887 -0.256 1.00 0.00 H +HETATM 19 H3 UFX A 2 5.627 21.663 -0.503 1.00 0.00 H +HETATM 20 H4 UFX A 2 6.901 21.158 -2.692 1.00 0.00 H +HETATM 21 H5 UFX A 2 7.844 20.797 -1.188 1.00 0.00 H +HETATM 22 H6 UFX A 2 6.361 18.765 -2.909 1.00 0.00 H +HETATM 23 H7 UFX A 2 7.301 18.402 -1.505 1.00 0.00 H +HETATM 24 H8 UFX A 2 8.502 19.933 -3.717 1.00 0.00 H +HETATM 25 C1 UFX A 3 2.868 17.585 33.623 1.00 0.00 C +HETATM 26 C2 UFX A 3 1.972 18.168 32.607 1.00 0.00 C +HETATM 27 C3 UFX A 3 1.023 19.121 33.299 1.00 0.00 C +HETATM 28 O1 UFX A 3 0.214 19.804 32.266 1.00 0.00 O +HETATM 29 H1 UFX A 3 2.424 17.093 34.489 1.00 0.00 H +HETATM 30 H2 UFX A 3 3.449 16.800 33.139 1.00 0.00 H +HETATM 31 H3 UFX A 3 3.522 18.365 34.012 1.00 0.00 H +HETATM 32 H4 UFX A 3 2.550 18.805 31.937 1.00 0.00 H +HETATM 33 H5 UFX A 3 1.429 17.474 31.966 1.00 0.00 H +HETATM 34 H6 UFX A 3 1.490 19.742 34.063 1.00 0.00 H +HETATM 35 H7 UFX A 3 0.339 18.507 33.886 1.00 0.00 H +HETATM 36 H8 UFX A 3 -0.609 20.129 32.691 1.00 0.00 H +HETATM 37 C1 UFX A 4 11.900 16.497 17.340 1.00 0.00 C +HETATM 38 C2 UFX A 4 10.772 16.259 18.282 1.00 0.00 C +HETATM 39 C3 UFX A 4 9.760 17.300 18.029 1.00 0.00 C +HETATM 40 O1 UFX A 4 10.272 18.581 18.310 1.00 0.00 O +HETATM 41 H1 UFX A 4 12.737 15.860 17.629 1.00 0.00 H +HETATM 42 H2 UFX A 4 11.612 16.343 16.300 1.00 0.00 H +HETATM 43 H3 UFX A 4 12.362 17.448 17.606 1.00 0.00 H +HETATM 44 H4 UFX A 4 10.308 15.306 18.024 1.00 0.00 H +HETATM 45 H5 UFX A 4 11.144 16.481 19.282 1.00 0.00 H +HETATM 46 H6 UFX A 4 8.979 17.073 18.755 1.00 0.00 H +HETATM 47 H7 UFX A 4 9.314 17.214 17.038 1.00 0.00 H +HETATM 48 H8 UFX A 4 10.689 18.605 19.198 1.00 0.00 H +HETATM 49 C1 UFX A 5 -0.611 22.639 8.948 1.00 0.00 C +HETATM 50 C2 UFX A 5 -1.307 21.222 8.782 1.00 0.00 C +HETATM 51 C3 UFX A 5 -0.566 20.408 7.706 1.00 0.00 C +HETATM 52 O1 UFX A 5 0.632 19.952 8.276 1.00 0.00 O +HETATM 53 H1 UFX A 5 -1.348 23.306 9.397 1.00 0.00 H +HETATM 54 H2 UFX A 5 0.310 22.627 9.531 1.00 0.00 H +HETATM 55 H3 UFX A 5 -0.420 23.004 7.939 1.00 0.00 H +HETATM 56 H4 UFX A 5 -1.452 20.629 9.685 1.00 0.00 H +HETATM 57 H5 UFX A 5 -2.321 21.465 8.462 1.00 0.00 H +HETATM 58 H6 UFX A 5 -0.321 21.011 6.831 1.00 0.00 H +HETATM 59 H7 UFX A 5 -1.232 19.626 7.340 1.00 0.00 H +HETATM 60 H8 UFX A 5 1.174 20.672 8.663 1.00 0.00 H +HETATM 61 C1 UFX A 6 7.705 16.903 2.096 1.00 0.00 C +HETATM 62 C2 UFX A 6 8.923 17.377 2.721 1.00 0.00 C +HETATM 63 C3 UFX A 6 9.503 16.281 3.588 1.00 0.00 C +HETATM 64 O1 UFX A 6 10.065 15.129 2.899 1.00 0.00 O +HETATM 65 H1 UFX A 6 7.876 15.867 1.806 1.00 0.00 H +HETATM 66 H2 UFX A 6 6.942 16.949 2.873 1.00 0.00 H +HETATM 67 H3 UFX A 6 7.455 17.527 1.238 1.00 0.00 H +HETATM 68 H4 UFX A 6 9.668 17.638 1.968 1.00 0.00 H +HETATM 69 H5 UFX A 6 8.681 18.248 3.329 1.00 0.00 H +HETATM 70 H6 UFX A 6 8.726 15.885 4.241 1.00 0.00 H +HETATM 71 H7 UFX A 6 10.321 16.656 4.204 1.00 0.00 H +HETATM 72 H8 UFX A 6 10.761 15.411 2.268 1.00 0.00 H +HETATM 73 C1 UFX A 7 31.198 -3.266 19.817 1.00 0.00 C +HETATM 74 C2 UFX A 7 29.841 -2.755 20.328 1.00 0.00 C +HETATM 75 C3 UFX A 7 28.737 -3.136 19.356 1.00 0.00 C +HETATM 76 O1 UFX A 7 27.497 -3.027 20.001 1.00 0.00 O +HETATM 77 H1 UFX A 7 31.086 -4.273 19.416 1.00 0.00 H +HETATM 78 H2 UFX A 7 31.566 -2.579 19.054 1.00 0.00 H +HETATM 79 H3 UFX A 7 31.899 -3.347 20.649 1.00 0.00 H +HETATM 80 H4 UFX A 7 29.602 -3.178 21.304 1.00 0.00 H +HETATM 81 H5 UFX A 7 29.773 -1.673 20.439 1.00 0.00 H +HETATM 82 H6 UFX A 7 28.930 -4.180 19.108 1.00 0.00 H +HETATM 83 H7 UFX A 7 28.813 -2.549 18.441 1.00 0.00 H +HETATM 84 H8 UFX A 7 26.755 -3.136 19.369 1.00 0.00 H +HETATM 85 C1 UFX A 8 29.746 20.934 13.742 1.00 0.00 C +HETATM 86 C2 UFX A 8 30.744 22.148 13.917 1.00 0.00 C +HETATM 87 C3 UFX A 8 32.132 21.701 14.332 1.00 0.00 C +HETATM 88 O1 UFX A 8 32.160 21.359 15.743 1.00 0.00 O +HETATM 89 H1 UFX A 8 28.746 21.360 13.660 1.00 0.00 H +HETATM 90 H2 UFX A 8 30.007 20.366 12.848 1.00 0.00 H +HETATM 91 H3 UFX A 8 29.782 20.267 14.604 1.00 0.00 H +HETATM 92 H4 UFX A 8 30.780 22.776 13.027 1.00 0.00 H +HETATM 93 H5 UFX A 8 30.349 22.754 14.732 1.00 0.00 H +HETATM 94 H6 UFX A 8 32.806 22.532 14.119 1.00 0.00 H +HETATM 95 H7 UFX A 8 32.370 20.851 13.692 1.00 0.00 H +HETATM 96 H8 UFX A 8 32.237 22.170 16.289 1.00 0.00 H +HETATM 97 C1 UFX A 9 9.180 30.449 15.199 1.00 0.00 C +HETATM 98 C2 UFX A 9 10.450 30.390 14.339 1.00 0.00 C +HETATM 99 C3 UFX A 9 10.102 30.429 12.828 1.00 0.00 C +HETATM 100 O1 UFX A 9 9.135 29.507 12.427 1.00 0.00 O +HETATM 101 H1 UFX A 9 8.648 31.386 15.034 1.00 0.00 H +HETATM 102 H2 UFX A 9 8.465 29.634 15.088 1.00 0.00 H +HETATM 103 H3 UFX A 9 9.429 30.432 16.260 1.00 0.00 H +HETATM 104 H4 UFX A 9 11.058 31.265 14.565 1.00 0.00 H +HETATM 105 H5 UFX A 9 11.040 29.489 14.511 1.00 0.00 H +HETATM 106 H6 UFX A 9 11.031 30.226 12.295 1.00 0.00 H +HETATM 107 H7 UFX A 9 9.861 31.468 12.606 1.00 0.00 H +HETATM 108 H8 UFX A 9 9.011 29.520 11.454 1.00 0.00 H +HETATM 109 C1 UFX A 10 26.307 6.295 5.705 1.00 0.00 C +HETATM 110 C2 UFX A 10 25.545 7.301 6.593 1.00 0.00 C +HETATM 111 C3 UFX A 10 26.444 8.549 6.826 1.00 0.00 C +HETATM 112 O1 UFX A 10 27.552 8.280 7.623 1.00 0.00 O +HETATM 113 H1 UFX A 10 26.482 6.810 4.760 1.00 0.00 H +HETATM 114 H2 UFX A 10 27.188 5.928 6.231 1.00 0.00 H +HETATM 115 H3 UFX A 10 25.648 5.497 5.363 1.00 0.00 H +HETATM 116 H4 UFX A 10 24.590 7.541 6.125 1.00 0.00 H +HETATM 117 H5 UFX A 10 25.308 6.830 7.548 1.00 0.00 H +HETATM 118 H6 UFX A 10 25.817 9.345 7.229 1.00 0.00 H +HETATM 119 H7 UFX A 10 26.648 8.870 5.804 1.00 0.00 H +HETATM 120 H8 UFX A 10 27.994 9.130 7.835 1.00 0.00 H +HETATM 121 C1 UFX A 11 21.907 33.605 29.869 1.00 0.00 C +HETATM 122 C2 UFX A 11 23.144 34.587 30.142 1.00 0.00 C +HETATM 123 C3 UFX A 11 24.347 33.819 30.491 1.00 0.00 C +HETATM 124 O1 UFX A 11 24.069 32.948 31.620 1.00 0.00 O +HETATM 125 H1 UFX A 11 21.028 34.071 29.423 1.00 0.00 H +HETATM 126 H2 UFX A 11 22.087 32.786 29.172 1.00 0.00 H +HETATM 127 H3 UFX A 11 21.491 33.229 30.805 1.00 0.00 H +HETATM 128 H4 UFX A 11 23.371 35.281 29.332 1.00 0.00 H +HETATM 129 H5 UFX A 11 22.885 35.200 31.006 1.00 0.00 H +HETATM 130 H6 UFX A 11 25.199 34.464 30.703 1.00 0.00 H +HETATM 131 H7 UFX A 11 24.626 33.359 29.542 1.00 0.00 H +HETATM 132 H8 UFX A 11 23.379 32.295 31.377 1.00 0.00 H +HETATM 133 C1 UFX A 12 7.746 4.334 5.614 1.00 0.00 C +HETATM 134 C2 UFX A 12 8.577 5.156 6.688 1.00 0.00 C +HETATM 135 C3 UFX A 12 9.446 4.157 7.458 1.00 0.00 C +HETATM 136 O1 UFX A 12 10.153 4.766 8.478 1.00 0.00 O +HETATM 137 H1 UFX A 12 6.807 4.032 6.078 1.00 0.00 H +HETATM 138 H2 UFX A 12 7.569 5.006 4.773 1.00 0.00 H +HETATM 139 H3 UFX A 12 8.371 3.545 5.195 1.00 0.00 H +HETATM 140 H4 UFX A 12 9.234 5.847 6.158 1.00 0.00 H +HETATM 141 H5 UFX A 12 7.924 5.754 7.324 1.00 0.00 H +HETATM 142 H6 UFX A 12 10.140 3.614 6.817 1.00 0.00 H +HETATM 143 H7 UFX A 12 8.746 3.454 7.910 1.00 0.00 H +HETATM 144 H8 UFX A 12 9.729 5.613 8.734 1.00 0.00 H +HETATM 145 C1 UFX A 13 9.699 14.011 -3.060 1.00 0.00 C +HETATM 146 C2 UFX A 13 9.759 14.129 -1.513 1.00 0.00 C +HETATM 147 C3 UFX A 13 9.840 15.589 -1.164 1.00 0.00 C +HETATM 148 O1 UFX A 13 11.130 16.080 -1.619 1.00 0.00 O +HETATM 149 H1 UFX A 13 9.502 12.973 -3.327 1.00 0.00 H +HETATM 150 H2 UFX A 13 8.999 14.726 -3.493 1.00 0.00 H +HETATM 151 H3 UFX A 13 10.668 14.190 -3.526 1.00 0.00 H +HETATM 152 H4 UFX A 13 8.837 13.761 -1.063 1.00 0.00 H +HETATM 153 H5 UFX A 13 10.618 13.574 -1.135 1.00 0.00 H +HETATM 154 H6 UFX A 13 9.863 15.632 -0.075 1.00 0.00 H +HETATM 155 H7 UFX A 13 9.066 16.212 -1.612 1.00 0.00 H +HETATM 156 H8 UFX A 13 11.215 17.056 -1.578 1.00 0.00 H +HETATM 157 C1 UFX A 14 1.540 9.447 7.019 1.00 0.00 C +HETATM 158 C2 UFX A 14 1.551 9.312 8.561 1.00 0.00 C +HETATM 159 C3 UFX A 14 0.199 9.479 9.027 1.00 0.00 C +HETATM 160 O1 UFX A 14 -0.239 10.846 9.102 1.00 0.00 O +HETATM 161 H1 UFX A 14 1.160 8.624 6.413 1.00 0.00 H +HETATM 162 H2 UFX A 14 1.127 10.394 6.671 1.00 0.00 H +HETATM 163 H3 UFX A 14 2.601 9.501 6.774 1.00 0.00 H +HETATM 164 H4 UFX A 14 2.013 8.351 8.788 1.00 0.00 H +HETATM 165 H5 UFX A 14 2.281 9.941 9.071 1.00 0.00 H +HETATM 166 H6 UFX A 14 0.055 9.031 10.010 1.00 0.00 H +HETATM 167 H7 UFX A 14 -0.508 9.012 8.341 1.00 0.00 H +HETATM 168 H8 UFX A 14 0.106 11.267 9.918 1.00 0.00 H +HETATM 169 C1 UFX A 15 28.243 -8.843 23.738 1.00 0.00 C +HETATM 170 C2 UFX A 15 27.478 -9.857 22.786 1.00 0.00 C +HETATM 171 C3 UFX A 15 28.439 -10.884 22.201 1.00 0.00 C +HETATM 172 O1 UFX A 15 29.439 -10.263 21.410 1.00 0.00 O +HETATM 173 H1 UFX A 15 27.663 -8.041 24.194 1.00 0.00 H +HETATM 174 H2 UFX A 15 28.693 -9.446 24.528 1.00 0.00 H +HETATM 175 H3 UFX A 15 29.026 -8.378 23.138 1.00 0.00 H +HETATM 176 H4 UFX A 15 26.704 -10.401 23.328 1.00 0.00 H +HETATM 177 H5 UFX A 15 27.071 -9.246 21.980 1.00 0.00 H +HETATM 178 H6 UFX A 15 27.975 -11.589 21.511 1.00 0.00 H +HETATM 179 H7 UFX A 15 28.929 -11.556 22.906 1.00 0.00 H +HETATM 180 H8 UFX A 15 29.019 -9.784 20.664 1.00 0.00 H +HETATM 181 C1 UFX A 16 10.203 26.011 7.590 1.00 0.00 C +HETATM 182 C2 UFX A 16 9.330 26.490 8.781 1.00 0.00 C +HETATM 183 C3 UFX A 16 10.201 27.015 9.867 1.00 0.00 C +HETATM 184 O1 UFX A 16 10.865 28.310 9.396 1.00 0.00 O +HETATM 185 H1 UFX A 16 10.907 26.763 7.234 1.00 0.00 H +HETATM 186 H2 UFX A 16 10.764 25.134 7.913 1.00 0.00 H +HETATM 187 H3 UFX A 16 9.609 25.715 6.724 1.00 0.00 H +HETATM 188 H4 UFX A 16 8.638 27.299 8.546 1.00 0.00 H +HETATM 189 H5 UFX A 16 8.720 25.654 9.125 1.00 0.00 H +HETATM 190 H6 UFX A 16 10.988 26.263 9.938 1.00 0.00 H +HETATM 191 H7 UFX A 16 9.661 27.198 10.795 1.00 0.00 H +HETATM 192 H8 UFX A 16 10.140 28.968 9.341 1.00 0.00 H +HETATM 193 C1 UFX A 17 23.612 28.374 36.603 1.00 0.00 C +HETATM 194 C2 UFX A 17 22.648 27.546 37.411 1.00 0.00 C +HETATM 195 C3 UFX A 17 21.403 27.280 36.527 1.00 0.00 C +HETATM 196 O1 UFX A 17 20.622 28.487 36.372 1.00 0.00 O +HETATM 197 H1 UFX A 17 24.586 28.464 37.084 1.00 0.00 H +HETATM 198 H2 UFX A 17 23.700 27.933 35.610 1.00 0.00 H +HETATM 199 H3 UFX A 17 23.311 29.404 36.407 1.00 0.00 H +HETATM 200 H4 UFX A 17 23.093 26.587 37.677 1.00 0.00 H +HETATM 201 H5 UFX A 17 22.362 28.041 38.340 1.00 0.00 H +HETATM 202 H6 UFX A 17 20.783 26.502 36.971 1.00 0.00 H +HETATM 203 H7 UFX A 17 21.714 26.834 35.583 1.00 0.00 H +HETATM 204 H8 UFX A 17 20.268 28.745 37.249 1.00 0.00 H +HETATM 205 C1 UFX A 18 28.748 1.972 1.574 1.00 0.00 C +HETATM 206 C2 UFX A 18 29.557 3.271 1.064 1.00 0.00 C +HETATM 207 C3 UFX A 18 28.936 4.740 1.388 1.00 0.00 C +HETATM 208 O1 UFX A 18 27.792 4.880 0.541 1.00 0.00 O +HETATM 209 H1 UFX A 18 28.408 2.021 2.608 1.00 0.00 H +HETATM 210 H2 UFX A 18 27.842 2.002 0.967 1.00 0.00 H +HETATM 211 H3 UFX A 18 29.341 1.069 1.423 1.00 0.00 H +HETATM 212 H4 UFX A 18 30.488 3.173 1.623 1.00 0.00 H +HETATM 213 H5 UFX A 18 29.783 3.163 0.003 1.00 0.00 H +HETATM 214 H6 UFX A 18 29.688 5.464 1.073 1.00 0.00 H +HETATM 215 H7 UFX A 18 28.669 4.710 2.444 1.00 0.00 H +HETATM 216 H8 UFX A 18 27.986 4.634 -0.388 1.00 0.00 H +HETATM 217 C1 UFX A 19 24.185 8.347 30.373 1.00 0.00 C +HETATM 218 C2 UFX A 19 23.671 6.918 30.216 1.00 0.00 C +HETATM 219 C3 UFX A 19 22.862 6.574 28.961 1.00 0.00 C +HETATM 220 O1 UFX A 19 23.778 6.423 27.845 1.00 0.00 O +HETATM 221 H1 UFX A 19 23.461 9.161 30.413 1.00 0.00 H +HETATM 222 H2 UFX A 19 24.782 8.338 31.285 1.00 0.00 H +HETATM 223 H3 UFX A 19 24.938 8.545 29.610 1.00 0.00 H +HETATM 224 H4 UFX A 19 24.444 6.149 30.236 1.00 0.00 H +HETATM 225 H5 UFX A 19 23.019 6.653 31.049 1.00 0.00 H +HETATM 226 H6 UFX A 19 22.119 7.351 28.779 1.00 0.00 H +HETATM 227 H7 UFX A 19 22.308 5.652 29.136 1.00 0.00 H +HETATM 228 H8 UFX A 19 24.051 7.326 27.575 1.00 0.00 H +HETATM 229 C1 UFX A 20 10.966 5.737 14.975 1.00 0.00 C +HETATM 230 C2 UFX A 20 10.513 5.617 13.449 1.00 0.00 C +HETATM 231 C3 UFX A 20 11.233 6.579 12.567 1.00 0.00 C +HETATM 232 O1 UFX A 20 12.699 6.298 12.327 1.00 0.00 O +HETATM 233 H1 UFX A 20 10.474 6.656 15.293 1.00 0.00 H +HETATM 234 H2 UFX A 20 10.404 4.943 15.468 1.00 0.00 H +HETATM 235 H3 UFX A 20 12.048 5.714 15.101 1.00 0.00 H +HETATM 236 H4 UFX A 20 10.623 4.571 13.162 1.00 0.00 H +HETATM 237 H5 UFX A 20 9.444 5.826 13.479 1.00 0.00 H +HETATM 238 H6 UFX A 20 11.100 7.545 13.055 1.00 0.00 H +HETATM 239 H7 UFX A 20 10.738 6.632 11.597 1.00 0.00 H +HETATM 240 H8 UFX A 20 12.871 5.826 11.484 1.00 0.00 H +HETATM 241 C1 UFX A 21 18.178 12.309 1.793 1.00 0.00 C +HETATM 242 C2 UFX A 21 19.042 12.092 3.085 1.00 0.00 C +HETATM 243 C3 UFX A 21 19.277 13.488 3.750 1.00 0.00 C +HETATM 244 O1 UFX A 21 18.107 14.344 3.870 1.00 0.00 O +HETATM 245 H1 UFX A 21 17.113 12.476 1.954 1.00 0.00 H +HETATM 246 H2 UFX A 21 18.460 13.152 1.162 1.00 0.00 H +HETATM 247 H3 UFX A 21 18.248 11.410 1.182 1.00 0.00 H +HETATM 248 H4 UFX A 21 18.570 11.383 3.764 1.00 0.00 H +HETATM 249 H5 UFX A 21 20.012 11.644 2.866 1.00 0.00 H +HETATM 250 H6 UFX A 21 20.000 14.077 3.186 1.00 0.00 H +HETATM 251 H7 UFX A 21 19.586 13.474 4.796 1.00 0.00 H +HETATM 252 H8 UFX A 21 18.392 15.250 4.117 1.00 0.00 H +HETATM 253 C1 UFX A 22 32.652 12.835 2.982 1.00 0.00 C +HETATM 254 C2 UFX A 22 31.552 12.796 1.902 1.00 0.00 C +HETATM 255 C3 UFX A 22 32.027 12.055 0.581 1.00 0.00 C +HETATM 256 O1 UFX A 22 33.267 12.490 0.171 1.00 0.00 O +HETATM 257 H1 UFX A 22 33.605 13.104 2.526 1.00 0.00 H +HETATM 258 H2 UFX A 22 32.395 13.504 3.804 1.00 0.00 H +HETATM 259 H3 UFX A 22 32.850 11.826 3.346 1.00 0.00 H +HETATM 260 H4 UFX A 22 30.669 12.328 2.338 1.00 0.00 H +HETATM 261 H5 UFX A 22 31.268 13.822 1.667 1.00 0.00 H +HETATM 262 H6 UFX A 22 31.275 12.382 -0.137 1.00 0.00 H +HETATM 263 H7 UFX A 22 32.046 10.975 0.728 1.00 0.00 H +HETATM 264 H8 UFX A 22 33.662 11.935 -0.536 1.00 0.00 H +HETATM 265 C1 UFX A 23 23.414 12.486 22.720 1.00 0.00 C +HETATM 266 C2 UFX A 23 22.728 13.251 21.587 1.00 0.00 C +HETATM 267 C3 UFX A 23 22.177 14.587 22.063 1.00 0.00 C +HETATM 268 O1 UFX A 23 21.153 14.314 23.010 1.00 0.00 O +HETATM 269 H1 UFX A 23 24.380 12.932 22.956 1.00 0.00 H +HETATM 270 H2 UFX A 23 22.740 12.402 23.573 1.00 0.00 H +HETATM 271 H3 UFX A 23 23.645 11.444 22.498 1.00 0.00 H +HETATM 272 H4 UFX A 23 23.461 13.342 20.785 1.00 0.00 H +HETATM 273 H5 UFX A 23 21.969 12.590 21.168 1.00 0.00 H +HETATM 274 H6 UFX A 23 21.755 14.982 21.139 1.00 0.00 H +HETATM 275 H7 UFX A 23 22.977 15.208 22.466 1.00 0.00 H +HETATM 276 H8 UFX A 23 20.280 14.342 22.563 1.00 0.00 H +HETATM 277 C1 UFX A 24 7.586 6.231 2.418 1.00 0.00 C +HETATM 278 C2 UFX A 24 7.318 6.514 0.955 1.00 0.00 C +HETATM 279 C3 UFX A 24 6.094 5.803 0.396 1.00 0.00 C +HETATM 280 O1 UFX A 24 4.948 6.130 1.215 1.00 0.00 O +HETATM 281 H1 UFX A 24 6.722 6.422 3.055 1.00 0.00 H +HETATM 282 H2 UFX A 24 7.876 5.182 2.471 1.00 0.00 H +HETATM 283 H3 UFX A 24 8.338 6.944 2.759 1.00 0.00 H +HETATM 284 H4 UFX A 24 7.249 7.578 0.726 1.00 0.00 H +HETATM 285 H5 UFX A 24 8.188 6.169 0.396 1.00 0.00 H +HETATM 286 H6 UFX A 24 6.261 4.726 0.396 1.00 0.00 H +HETATM 287 H7 UFX A 24 5.872 6.022 -0.649 1.00 0.00 H +HETATM 288 H8 UFX A 24 4.737 7.088 1.173 1.00 0.00 H +HETATM 289 C1 UFX A 25 8.088 25.505 -1.769 1.00 0.00 C +HETATM 290 C2 UFX A 25 9.163 25.596 -2.847 1.00 0.00 C +HETATM 291 C3 UFX A 25 8.734 26.395 -4.001 1.00 0.00 C +HETATM 292 O1 UFX A 25 9.696 26.008 -5.042 1.00 0.00 O +HETATM 293 H1 UFX A 25 8.449 25.152 -0.803 1.00 0.00 H +HETATM 294 H2 UFX A 25 7.602 26.468 -1.615 1.00 0.00 H +HETATM 295 H3 UFX A 25 7.294 24.864 -2.152 1.00 0.00 H +HETATM 296 H4 UFX A 25 9.986 26.143 -2.386 1.00 0.00 H +HETATM 297 H5 UFX A 25 9.457 24.601 -3.181 1.00 0.00 H +HETATM 298 H6 UFX A 25 8.793 27.466 -3.808 1.00 0.00 H +HETATM 299 H7 UFX A 25 7.718 26.101 -4.266 1.00 0.00 H +HETATM 300 H8 UFX A 25 10.624 26.136 -4.750 1.00 0.00 H +HETATM 301 C1 UFX A 26 30.231 25.351 16.622 1.00 0.00 C +HETATM 302 C2 UFX A 26 30.133 24.088 17.412 1.00 0.00 C +HETATM 303 C3 UFX A 26 31.622 23.860 17.937 1.00 0.00 C +HETATM 304 O1 UFX A 26 32.559 23.668 16.880 1.00 0.00 O +HETATM 305 H1 UFX A 26 30.435 26.161 17.324 1.00 0.00 H +HETATM 306 H2 UFX A 26 30.972 25.254 15.828 1.00 0.00 H +HETATM 307 H3 UFX A 26 29.273 25.580 16.156 1.00 0.00 H +HETATM 308 H4 UFX A 26 29.475 24.283 18.259 1.00 0.00 H +HETATM 309 H5 UFX A 26 29.751 23.249 16.830 1.00 0.00 H +HETATM 310 H6 UFX A 26 31.613 22.936 18.515 1.00 0.00 H +HETATM 311 H7 UFX A 26 31.946 24.606 18.662 1.00 0.00 H +HETATM 312 H8 UFX A 26 32.993 24.473 16.525 1.00 0.00 H +HETATM 313 C1 UFX A 27 7.539 19.336 11.765 1.00 0.00 C +HETATM 314 C2 UFX A 27 8.699 20.228 11.899 1.00 0.00 C +HETATM 315 C3 UFX A 27 10.047 19.533 12.076 1.00 0.00 C +HETATM 316 O1 UFX A 27 10.136 18.642 13.153 1.00 0.00 O +HETATM 317 H1 UFX A 27 7.729 18.599 10.985 1.00 0.00 H +HETATM 318 H2 UFX A 27 7.349 18.779 12.682 1.00 0.00 H +HETATM 319 H3 UFX A 27 6.633 19.876 11.489 1.00 0.00 H +HETATM 320 H4 UFX A 27 8.806 20.816 10.987 1.00 0.00 H +HETATM 321 H5 UFX A 27 8.547 20.896 12.747 1.00 0.00 H +HETATM 322 H6 UFX A 27 10.835 20.269 12.241 1.00 0.00 H +HETATM 323 H7 UFX A 27 10.339 19.009 11.166 1.00 0.00 H +HETATM 324 H8 UFX A 27 9.940 19.119 13.988 1.00 0.00 H +HETATM 325 C1 UFX A 28 17.682 30.587 28.567 1.00 0.00 C +HETATM 326 C2 UFX A 28 17.897 31.143 27.145 1.00 0.00 C +HETATM 327 C3 UFX A 28 16.516 31.568 26.635 1.00 0.00 C +HETATM 328 O1 UFX A 28 16.640 31.911 25.226 1.00 0.00 O +HETATM 329 H1 UFX A 28 16.881 31.122 29.077 1.00 0.00 H +HETATM 330 H2 UFX A 28 17.306 29.563 28.574 1.00 0.00 H +HETATM 331 H3 UFX A 28 18.642 30.683 29.075 1.00 0.00 H +HETATM 332 H4 UFX A 28 18.753 31.817 27.116 1.00 0.00 H +HETATM 333 H5 UFX A 28 18.234 30.340 26.489 1.00 0.00 H +HETATM 334 H6 UFX A 28 16.094 32.334 27.285 1.00 0.00 H +HETATM 335 H7 UFX A 28 15.772 30.779 26.751 1.00 0.00 H +HETATM 336 H8 UFX A 28 16.994 31.118 24.770 1.00 0.00 H +HETATM 337 C1 UFX A 29 22.270 25.800 10.098 1.00 0.00 C +HETATM 338 C2 UFX A 29 23.119 24.785 9.318 1.00 0.00 C +HETATM 339 C3 UFX A 29 22.190 24.052 8.321 1.00 0.00 C +HETATM 340 O1 UFX A 29 21.660 22.869 8.973 1.00 0.00 O +HETATM 341 H1 UFX A 29 21.467 25.220 10.551 1.00 0.00 H +HETATM 342 H2 UFX A 29 22.714 26.391 10.899 1.00 0.00 H +HETATM 343 H3 UFX A 29 21.753 26.414 9.361 1.00 0.00 H +HETATM 344 H4 UFX A 29 23.938 25.323 8.841 1.00 0.00 H +HETATM 345 H5 UFX A 29 23.591 24.040 9.958 1.00 0.00 H +HETATM 346 H6 UFX A 29 22.659 23.677 7.410 1.00 0.00 H +HETATM 347 H7 UFX A 29 21.351 24.682 8.028 1.00 0.00 H +HETATM 348 H8 UFX A 29 20.985 23.125 9.637 1.00 0.00 H +HETATM 349 C1 UFX A 30 21.971 13.940 6.378 1.00 0.00 C +HETATM 350 C2 UFX A 30 22.429 14.356 7.780 1.00 0.00 C +HETATM 351 C3 UFX A 30 22.997 13.198 8.643 1.00 0.00 C +HETATM 352 O1 UFX A 30 21.923 12.441 9.044 1.00 0.00 O +HETATM 353 H1 UFX A 30 21.432 14.791 5.961 1.00 0.00 H +HETATM 354 H2 UFX A 30 22.781 13.748 5.674 1.00 0.00 H +HETATM 355 H3 UFX A 30 21.183 13.187 6.369 1.00 0.00 H +HETATM 356 H4 UFX A 30 23.167 15.146 7.638 1.00 0.00 H +HETATM 357 H5 UFX A 30 21.666 14.841 8.389 1.00 0.00 H +HETATM 358 H6 UFX A 30 23.518 13.637 9.494 1.00 0.00 H +HETATM 359 H7 UFX A 30 23.694 12.625 8.031 1.00 0.00 H +HETATM 360 H8 UFX A 30 22.259 11.794 9.700 1.00 0.00 H +HETATM 361 C1 UFX A 31 -2.414 11.464 12.138 1.00 0.00 C +HETATM 362 C2 UFX A 31 -2.054 12.933 12.494 1.00 0.00 C +HETATM 363 C3 UFX A 31 -1.599 13.747 11.238 1.00 0.00 C +HETATM 364 O1 UFX A 31 -0.401 13.291 10.687 1.00 0.00 O +HETATM 365 H1 UFX A 31 -1.566 10.806 12.329 1.00 0.00 H +HETATM 366 H2 UFX A 31 -3.249 11.027 12.686 1.00 0.00 H +HETATM 367 H3 UFX A 31 -2.738 11.446 11.098 1.00 0.00 H +HETATM 368 H4 UFX A 31 -2.903 13.422 12.973 1.00 0.00 H +HETATM 369 H5 UFX A 31 -1.338 12.926 13.317 1.00 0.00 H +HETATM 370 H6 UFX A 31 -1.582 14.815 11.457 1.00 0.00 H +HETATM 371 H7 UFX A 31 -2.323 13.697 10.425 1.00 0.00 H +HETATM 372 H8 UFX A 31 -0.297 13.774 9.839 1.00 0.00 H +HETATM 373 C1 UFX A 32 24.796 24.784 17.214 1.00 0.00 C +HETATM 374 C2 UFX A 32 24.587 25.623 18.438 1.00 0.00 C +HETATM 375 C3 UFX A 32 25.560 25.318 19.581 1.00 0.00 C +HETATM 376 O1 UFX A 32 25.363 24.015 20.097 1.00 0.00 O +HETATM 377 H1 UFX A 32 24.707 23.729 17.471 1.00 0.00 H +HETATM 378 H2 UFX A 32 24.083 24.989 16.415 1.00 0.00 H +HETATM 379 H3 UFX A 32 25.757 24.970 16.735 1.00 0.00 H +HETATM 380 H4 UFX A 32 24.838 26.625 18.089 1.00 0.00 H +HETATM 381 H5 UFX A 32 23.564 25.552 18.806 1.00 0.00 H +HETATM 382 H6 UFX A 32 25.387 26.009 20.406 1.00 0.00 H +HETATM 383 H7 UFX A 32 26.615 25.505 19.379 1.00 0.00 H +HETATM 384 H8 UFX A 32 24.397 23.841 20.085 1.00 0.00 H +HETATM 385 C1 UFX A 33 10.337 17.095 24.243 1.00 0.00 C +HETATM 386 C2 UFX A 33 10.898 18.290 23.502 1.00 0.00 C +HETATM 387 C3 UFX A 33 10.442 19.553 24.290 1.00 0.00 C +HETATM 388 O1 UFX A 33 8.987 19.838 24.147 1.00 0.00 O +HETATM 389 H1 UFX A 33 10.541 16.198 23.658 1.00 0.00 H +HETATM 390 H2 UFX A 33 10.784 16.987 25.231 1.00 0.00 H +HETATM 391 H3 UFX A 33 9.266 17.242 24.384 1.00 0.00 H +HETATM 392 H4 UFX A 33 11.982 18.209 23.423 1.00 0.00 H +HETATM 393 H5 UFX A 33 10.448 18.319 22.509 1.00 0.00 H +HETATM 394 H6 UFX A 33 10.942 20.469 23.975 1.00 0.00 H +HETATM 395 H7 UFX A 33 10.727 19.492 25.341 1.00 0.00 H +HETATM 396 H8 UFX A 33 8.657 19.782 23.225 1.00 0.00 H +HETATM 397 C1 UFX A 34 12.764 22.130 19.020 1.00 0.00 C +HETATM 398 C2 UFX A 34 12.340 21.059 20.003 1.00 0.00 C +HETATM 399 C3 UFX A 34 10.906 21.141 20.252 1.00 0.00 C +HETATM 400 O1 UFX A 34 10.536 19.872 20.730 1.00 0.00 O +HETATM 401 H1 UFX A 34 12.657 23.146 19.401 1.00 0.00 H +HETATM 402 H2 UFX A 34 13.814 21.930 18.803 1.00 0.00 H +HETATM 403 H3 UFX A 34 12.139 22.114 18.127 1.00 0.00 H +HETATM 404 H4 UFX A 34 12.599 20.099 19.557 1.00 0.00 H +HETATM 405 H5 UFX A 34 12.793 21.261 20.974 1.00 0.00 H +HETATM 406 H6 UFX A 34 10.367 21.223 19.308 1.00 0.00 H +HETATM 407 H7 UFX A 34 10.755 21.963 20.952 1.00 0.00 H +HETATM 408 H8 UFX A 34 9.581 19.655 20.801 1.00 0.00 H +HETATM 409 C1 UFX A 35 15.635 26.829 27.492 1.00 0.00 C +HETATM 410 C2 UFX A 35 14.994 27.062 26.192 1.00 0.00 C +HETATM 411 C3 UFX A 35 13.574 27.692 26.295 1.00 0.00 C +HETATM 412 O1 UFX A 35 12.581 26.887 26.945 1.00 0.00 O +HETATM 413 H1 UFX A 35 15.229 26.044 28.131 1.00 0.00 H +HETATM 414 H2 UFX A 35 16.654 26.555 27.221 1.00 0.00 H +HETATM 415 H3 UFX A 35 15.832 27.701 28.116 1.00 0.00 H +HETATM 416 H4 UFX A 35 15.639 27.591 25.491 1.00 0.00 H +HETATM 417 H5 UFX A 35 14.898 26.071 25.747 1.00 0.00 H +HETATM 418 H6 UFX A 35 13.113 27.917 25.333 1.00 0.00 H +HETATM 419 H7 UFX A 35 13.601 28.665 26.787 1.00 0.00 H +HETATM 420 H8 UFX A 35 12.832 26.801 27.889 1.00 0.00 H +HETATM 421 C1 UFX A 36 18.274 8.345 0.876 1.00 0.00 C +HETATM 422 C2 UFX A 36 16.973 8.374 1.733 1.00 0.00 C +HETATM 423 C3 UFX A 36 15.780 8.546 0.902 1.00 0.00 C +HETATM 424 O1 UFX A 36 15.255 7.185 0.502 1.00 0.00 O +HETATM 425 H1 UFX A 36 19.127 8.433 1.549 1.00 0.00 H +HETATM 426 H2 UFX A 36 18.288 7.404 0.326 1.00 0.00 H +HETATM 427 H3 UFX A 36 18.220 9.146 0.138 1.00 0.00 H +HETATM 428 H4 UFX A 36 16.909 7.494 2.373 1.00 0.00 H +HETATM 429 H5 UFX A 36 17.118 9.197 2.432 1.00 0.00 H +HETATM 430 H6 UFX A 36 16.038 9.157 0.036 1.00 0.00 H +HETATM 431 H7 UFX A 36 15.036 9.033 1.534 1.00 0.00 H +HETATM 432 H8 UFX A 36 14.415 7.198 -0.004 1.00 0.00 H +HETATM 433 C1 UFX A 37 14.679 5.825 25.860 1.00 0.00 C +HETATM 434 C2 UFX A 37 14.933 4.291 25.968 1.00 0.00 C +HETATM 435 C3 UFX A 37 14.349 3.457 24.817 1.00 0.00 C +HETATM 436 O1 UFX A 37 14.331 2.105 25.078 1.00 0.00 O +HETATM 437 H1 UFX A 37 15.304 6.242 25.071 1.00 0.00 H +HETATM 438 H2 UFX A 37 13.654 6.088 25.596 1.00 0.00 H +HETATM 439 H3 UFX A 37 15.021 6.281 26.789 1.00 0.00 H +HETATM 440 H4 UFX A 37 16.021 4.232 25.940 1.00 0.00 H +HETATM 441 H5 UFX A 37 14.572 3.943 26.936 1.00 0.00 H +HETATM 442 H6 UFX A 37 14.893 3.581 23.880 1.00 0.00 H +HETATM 443 H7 UFX A 37 13.302 3.738 24.700 1.00 0.00 H +HETATM 444 H8 UFX A 37 15.219 1.725 25.250 1.00 0.00 H +HETATM 445 C1 UFX A 38 -3.379 7.346 11.702 1.00 0.00 C +HETATM 446 C2 UFX A 38 -4.369 6.525 10.895 1.00 0.00 C +HETATM 447 C3 UFX A 38 -3.569 5.625 9.934 1.00 0.00 C +HETATM 448 O1 UFX A 38 -2.759 6.470 9.059 1.00 0.00 O +HETATM 449 H1 UFX A 38 -3.919 8.010 12.377 1.00 0.00 H +HETATM 450 H2 UFX A 38 -2.800 6.656 12.316 1.00 0.00 H +HETATM 451 H3 UFX A 38 -2.718 7.958 11.087 1.00 0.00 H +HETATM 452 H4 UFX A 38 -4.983 5.930 11.571 1.00 0.00 H +HETATM 453 H5 UFX A 38 -5.039 7.229 10.401 1.00 0.00 H +HETATM 454 H6 UFX A 38 -4.330 5.074 9.381 1.00 0.00 H +HETATM 455 H7 UFX A 38 -2.926 4.916 10.454 1.00 0.00 H +HETATM 456 H8 UFX A 38 -3.291 7.128 8.564 1.00 0.00 H +HETATM 457 C1 UFX A 39 -2.267 17.494 -6.777 1.00 0.00 C +HETATM 458 C2 UFX A 39 -0.793 17.772 -7.016 1.00 0.00 C +HETATM 459 C3 UFX A 39 0.065 16.585 -7.365 1.00 0.00 C +HETATM 460 O1 UFX A 39 0.012 15.583 -6.410 1.00 0.00 O +HETATM 461 H1 UFX A 39 -2.680 18.409 -6.352 1.00 0.00 H +HETATM 462 H2 UFX A 39 -2.798 17.151 -7.665 1.00 0.00 H +HETATM 463 H3 UFX A 39 -2.334 16.675 -6.060 1.00 0.00 H +HETATM 464 H4 UFX A 39 -0.823 18.580 -7.747 1.00 0.00 H +HETATM 465 H5 UFX A 39 -0.395 18.261 -6.127 1.00 0.00 H +HETATM 466 H6 UFX A 39 1.058 16.938 -7.647 1.00 0.00 H +HETATM 467 H7 UFX A 39 -0.275 16.117 -8.289 1.00 0.00 H +HETATM 468 H8 UFX A 39 -0.878 15.227 -6.202 1.00 0.00 H +HETATM 469 C1 UFX A 40 22.039 8.904 25.708 1.00 0.00 C +HETATM 470 C2 UFX A 40 22.762 10.263 25.728 1.00 0.00 C +HETATM 471 C3 UFX A 40 23.717 10.418 26.935 1.00 0.00 C +HETATM 472 O1 UFX A 40 24.631 9.347 27.189 1.00 0.00 O +HETATM 473 H1 UFX A 40 21.469 8.753 26.625 1.00 0.00 H +HETATM 474 H2 UFX A 40 21.260 8.890 24.946 1.00 0.00 H +HETATM 475 H3 UFX A 40 22.721 8.066 25.567 1.00 0.00 H +HETATM 476 H4 UFX A 40 23.345 10.337 24.810 1.00 0.00 H +HETATM 477 H5 UFX A 40 22.080 11.111 25.800 1.00 0.00 H +HETATM 478 H6 UFX A 40 23.111 10.522 27.835 1.00 0.00 H +HETATM 479 H7 UFX A 40 24.229 11.380 26.947 1.00 0.00 H +HETATM 480 H8 UFX A 40 25.324 9.276 26.498 1.00 0.00 H +HETATM 481 C1 UFX A 41 13.945 19.759 33.660 1.00 0.00 C +HETATM 482 C2 UFX A 41 14.483 20.962 33.028 1.00 0.00 C +HETATM 483 C3 UFX A 41 15.906 21.379 33.476 1.00 0.00 C +HETATM 484 O1 UFX A 41 15.863 21.939 34.834 1.00 0.00 O +HETATM 485 H1 UFX A 41 13.901 19.889 34.742 1.00 0.00 H +HETATM 486 H2 UFX A 41 12.933 19.565 33.306 1.00 0.00 H +HETATM 487 H3 UFX A 41 14.500 18.853 33.416 1.00 0.00 H +HETATM 488 H4 UFX A 41 14.610 20.712 31.975 1.00 0.00 H +HETATM 489 H5 UFX A 41 13.787 21.796 33.119 1.00 0.00 H +HETATM 490 H6 UFX A 41 16.331 22.168 32.855 1.00 0.00 H +HETATM 491 H7 UFX A 41 16.578 20.522 33.459 1.00 0.00 H +HETATM 492 H8 UFX A 41 15.553 21.242 35.450 1.00 0.00 H +HETATM 493 C1 UFX A 42 7.580 3.789 22.967 1.00 0.00 C +HETATM 494 C2 UFX A 42 7.892 2.278 22.534 1.00 0.00 C +HETATM 495 C3 UFX A 42 6.973 1.827 21.417 1.00 0.00 C +HETATM 496 O1 UFX A 42 5.587 1.763 21.784 1.00 0.00 O +HETATM 497 H1 UFX A 42 8.287 4.068 23.748 1.00 0.00 H +HETATM 498 H2 UFX A 42 7.594 4.482 22.125 1.00 0.00 H +HETATM 499 H3 UFX A 42 6.589 3.671 23.407 1.00 0.00 H +HETATM 500 H4 UFX A 42 8.900 2.231 22.122 1.00 0.00 H +HETATM 501 H5 UFX A 42 7.940 1.570 23.362 1.00 0.00 H +HETATM 502 H6 UFX A 42 7.266 0.856 21.016 1.00 0.00 H +HETATM 503 H7 UFX A 42 7.086 2.483 20.554 1.00 0.00 H +HETATM 504 H8 UFX A 42 5.201 2.652 21.934 1.00 0.00 H +HETATM 505 C1 UFX A 43 20.206 30.887 18.298 1.00 0.00 C +HETATM 506 C2 UFX A 43 18.741 30.727 17.966 1.00 0.00 C +HETATM 507 C3 UFX A 43 18.048 30.454 19.314 1.00 0.00 C +HETATM 508 O1 UFX A 43 16.626 30.502 19.212 1.00 0.00 O +HETATM 509 H1 UFX A 43 20.758 31.055 17.372 1.00 0.00 H +HETATM 510 H2 UFX A 43 20.440 31.837 18.780 1.00 0.00 H +HETATM 511 H3 UFX A 43 20.586 30.058 18.894 1.00 0.00 H +HETATM 512 H4 UFX A 43 18.371 31.667 17.556 1.00 0.00 H +HETATM 513 H5 UFX A 43 18.552 29.895 17.287 1.00 0.00 H +HETATM 514 H6 UFX A 43 18.399 31.176 20.052 1.00 0.00 H +HETATM 515 H7 UFX A 43 18.444 29.484 19.614 1.00 0.00 H +HETATM 516 H8 UFX A 43 16.333 30.163 18.339 1.00 0.00 H +HETATM 517 C1 UFX A 44 2.515 4.246 10.321 1.00 0.00 C +HETATM 518 C2 UFX A 44 2.099 4.776 8.985 1.00 0.00 C +HETATM 519 C3 UFX A 44 0.888 5.686 9.087 1.00 0.00 C +HETATM 520 O1 UFX A 44 -0.387 4.893 9.276 1.00 0.00 O +HETATM 521 H1 UFX A 44 2.890 5.098 10.889 1.00 0.00 H +HETATM 522 H2 UFX A 44 1.654 3.747 10.765 1.00 0.00 H +HETATM 523 H3 UFX A 44 3.302 3.533 10.073 1.00 0.00 H +HETATM 524 H4 UFX A 44 2.946 5.272 8.510 1.00 0.00 H +HETATM 525 H5 UFX A 44 1.877 3.977 8.277 1.00 0.00 H +HETATM 526 H6 UFX A 44 0.887 6.220 8.137 1.00 0.00 H +HETATM 527 H7 UFX A 44 1.004 6.430 9.876 1.00 0.00 H +HETATM 528 H8 UFX A 44 -1.149 5.474 9.065 1.00 0.00 H +HETATM 529 C1 UFX A 45 25.016 18.015 29.658 1.00 0.00 C +HETATM 530 C2 UFX A 45 24.776 17.646 31.096 1.00 0.00 C +HETATM 531 C3 UFX A 45 23.536 18.456 31.591 1.00 0.00 C +HETATM 532 O1 UFX A 45 22.387 17.800 30.921 1.00 0.00 O +HETATM 533 H1 UFX A 45 24.237 17.561 29.045 1.00 0.00 H +HETATM 534 H2 UFX A 45 25.119 19.086 29.485 1.00 0.00 H +HETATM 535 H3 UFX A 45 25.963 17.591 29.323 1.00 0.00 H +HETATM 536 H4 UFX A 45 24.625 16.571 31.203 1.00 0.00 H +HETATM 537 H5 UFX A 45 25.661 17.942 31.660 1.00 0.00 H +HETATM 538 H6 UFX A 45 23.650 19.507 31.328 1.00 0.00 H +HETATM 539 H7 UFX A 45 23.430 18.384 32.674 1.00 0.00 H +HETATM 540 H8 UFX A 45 22.341 16.836 31.102 1.00 0.00 H +HETATM 541 C1 UFX A 46 13.243 33.067 28.655 1.00 0.00 C +HETATM 542 C2 UFX A 46 13.116 31.674 28.245 1.00 0.00 C +HETATM 543 C3 UFX A 46 11.654 31.284 28.308 1.00 0.00 C +HETATM 544 O1 UFX A 46 10.899 32.041 27.415 1.00 0.00 O +HETATM 545 H1 UFX A 46 12.727 33.737 27.967 1.00 0.00 H +HETATM 546 H2 UFX A 46 12.772 33.241 29.623 1.00 0.00 H +HETATM 547 H3 UFX A 46 14.275 33.368 28.840 1.00 0.00 H +HETATM 548 H4 UFX A 46 13.479 31.686 27.217 1.00 0.00 H +HETATM 549 H5 UFX A 46 13.647 30.983 28.900 1.00 0.00 H +HETATM 550 H6 UFX A 46 11.259 31.403 29.317 1.00 0.00 H +HETATM 551 H7 UFX A 46 11.543 30.225 28.073 1.00 0.00 H +HETATM 552 H8 UFX A 46 11.160 31.881 26.483 1.00 0.00 H +HETATM 553 C1 UFX A 47 27.648 5.563 19.905 1.00 0.00 C +HETATM 554 C2 UFX A 47 26.165 5.870 20.525 1.00 0.00 C +HETATM 555 C3 UFX A 47 25.085 6.368 19.535 1.00 0.00 C +HETATM 556 O1 UFX A 47 23.796 6.448 20.152 1.00 0.00 O +HETATM 557 H1 UFX A 47 27.537 4.809 19.125 1.00 0.00 H +HETATM 558 H2 UFX A 47 28.068 6.430 19.397 1.00 0.00 H +HETATM 559 H3 UFX A 47 28.319 5.102 20.630 1.00 0.00 H +HETATM 560 H4 UFX A 47 25.759 5.003 21.047 1.00 0.00 H +HETATM 561 H5 UFX A 47 26.299 6.557 21.360 1.00 0.00 H +HETATM 562 H6 UFX A 47 25.074 5.612 18.750 1.00 0.00 H +HETATM 563 H7 UFX A 47 25.381 7.304 19.061 1.00 0.00 H +HETATM 564 H8 UFX A 47 23.517 5.631 20.618 1.00 0.00 H +HETATM 565 C1 UFX A 48 11.554 13.005 5.381 1.00 0.00 C +HETATM 566 C2 UFX A 48 11.492 12.114 6.623 1.00 0.00 C +HETATM 567 C3 UFX A 48 12.058 12.788 7.842 1.00 0.00 C +HETATM 568 O1 UFX A 48 10.998 13.613 8.356 1.00 0.00 O +HETATM 569 H1 UFX A 48 11.404 14.070 5.555 1.00 0.00 H +HETATM 570 H2 UFX A 48 12.503 12.854 4.866 1.00 0.00 H +HETATM 571 H3 UFX A 48 10.760 12.713 4.694 1.00 0.00 H +HETATM 572 H4 UFX A 48 10.484 11.763 6.847 1.00 0.00 H +HETATM 573 H5 UFX A 48 12.098 11.246 6.363 1.00 0.00 H +HETATM 574 H6 UFX A 48 12.878 13.407 7.477 1.00 0.00 H +HETATM 575 H7 UFX A 48 12.395 11.956 8.461 1.00 0.00 H +HETATM 576 H8 UFX A 48 11.320 14.121 9.131 1.00 0.00 H +HETATM 577 C1 UFX A 49 -0.220 14.642 19.194 1.00 0.00 C +HETATM 578 C2 UFX A 49 0.659 13.779 18.336 1.00 0.00 C +HETATM 579 C3 UFX A 49 0.164 13.317 16.926 1.00 0.00 C +HETATM 580 O1 UFX A 49 -0.230 14.477 16.209 1.00 0.00 O +HETATM 581 H1 UFX A 49 -0.421 15.542 18.614 1.00 0.00 H +HETATM 582 H2 UFX A 49 -1.177 14.140 19.335 1.00 0.00 H +HETATM 583 H3 UFX A 49 0.257 14.812 20.160 1.00 0.00 H +HETATM 584 H4 UFX A 49 1.666 14.196 18.319 1.00 0.00 H +HETATM 585 H5 UFX A 49 0.797 12.890 18.951 1.00 0.00 H +HETATM 586 H6 UFX A 49 -0.680 12.636 17.035 1.00 0.00 H +HETATM 587 H7 UFX A 49 0.978 12.781 16.436 1.00 0.00 H +HETATM 588 H8 UFX A 49 0.344 15.247 16.409 1.00 0.00 H +HETATM 589 C1 UFX A 50 4.081 28.520 15.312 1.00 0.00 C +HETATM 590 C2 UFX A 50 3.051 29.640 15.282 1.00 0.00 C +HETATM 591 C3 UFX A 50 2.134 29.528 16.514 1.00 0.00 C +HETATM 592 O1 UFX A 50 1.282 28.327 16.389 1.00 0.00 O +HETATM 593 H1 UFX A 50 3.557 27.593 15.543 1.00 0.00 H +HETATM 594 H2 UFX A 50 4.618 28.412 14.369 1.00 0.00 H +HETATM 595 H3 UFX A 50 4.879 28.615 16.048 1.00 0.00 H +HETATM 596 H4 UFX A 50 3.441 30.657 15.254 1.00 0.00 H +HETATM 597 H5 UFX A 50 2.455 29.420 14.396 1.00 0.00 H +HETATM 598 H6 UFX A 50 1.511 30.411 16.658 1.00 0.00 H +HETATM 599 H7 UFX A 50 2.694 29.357 17.433 1.00 0.00 H +HETATM 600 H8 UFX A 50 0.524 28.459 15.780 1.00 0.00 H +HETATM 601 C1 UFX A 51 18.982 23.009 15.396 1.00 0.00 C +HETATM 602 C2 UFX A 51 20.320 22.337 15.906 1.00 0.00 C +HETATM 603 C3 UFX A 51 21.437 22.301 14.864 1.00 0.00 C +HETATM 604 O1 UFX A 51 20.887 21.725 13.715 1.00 0.00 O +HETATM 605 H1 UFX A 51 18.274 23.035 16.225 1.00 0.00 H +HETATM 606 H2 UFX A 51 19.114 24.018 15.003 1.00 0.00 H +HETATM 607 H3 UFX A 51 18.583 22.497 14.520 1.00 0.00 H +HETATM 608 H4 UFX A 51 20.675 22.884 16.779 1.00 0.00 H +HETATM 609 H5 UFX A 51 20.064 21.319 16.200 1.00 0.00 H +HETATM 610 H6 UFX A 51 22.307 21.770 15.248 1.00 0.00 H +HETATM 611 H7 UFX A 51 21.719 23.345 14.724 1.00 0.00 H +HETATM 612 H8 UFX A 51 20.943 20.748 13.796 1.00 0.00 H +HETATM 613 C1 UFX A 52 1.392 17.341 12.570 1.00 0.00 C +HETATM 614 C2 UFX A 52 1.164 17.487 11.029 1.00 0.00 C +HETATM 615 C3 UFX A 52 -0.312 17.635 10.675 1.00 0.00 C +HETATM 616 O1 UFX A 52 -0.479 17.601 9.243 1.00 0.00 O +HETATM 617 H1 UFX A 52 1.044 16.434 13.064 1.00 0.00 H +HETATM 618 H2 UFX A 52 2.429 17.562 12.825 1.00 0.00 H +HETATM 619 H3 UFX A 52 0.934 18.235 12.992 1.00 0.00 H +HETATM 620 H4 UFX A 52 1.725 18.366 10.712 1.00 0.00 H +HETATM 621 H5 UFX A 52 1.550 16.600 10.526 1.00 0.00 H +HETATM 622 H6 UFX A 52 -0.751 18.504 11.167 1.00 0.00 H +HETATM 623 H7 UFX A 52 -0.813 16.791 11.149 1.00 0.00 H +HETATM 624 H8 UFX A 52 0.086 18.332 8.913 1.00 0.00 H +HETATM 625 C1 UFX A 53 9.316 8.257 27.732 1.00 0.00 C +HETATM 626 C2 UFX A 53 9.466 9.718 28.140 1.00 0.00 C +HETATM 627 C3 UFX A 53 10.121 9.905 29.528 1.00 0.00 C +HETATM 628 O1 UFX A 53 11.453 9.225 29.533 1.00 0.00 O +HETATM 629 H1 UFX A 53 8.763 7.684 28.475 1.00 0.00 H +HETATM 630 H2 UFX A 53 8.850 8.037 26.771 1.00 0.00 H +HETATM 631 H3 UFX A 53 10.326 7.850 27.681 1.00 0.00 H +HETATM 632 H4 UFX A 53 10.043 10.294 27.416 1.00 0.00 H +HETATM 633 H5 UFX A 53 8.503 10.229 28.133 1.00 0.00 H +HETATM 634 H6 UFX A 53 9.409 9.506 30.250 1.00 0.00 H +HETATM 635 H7 UFX A 53 10.289 10.972 29.671 1.00 0.00 H +HETATM 636 H8 UFX A 53 12.138 9.799 29.126 1.00 0.00 H +HETATM 637 C1 UFX A 54 17.958 -6.015 7.609 1.00 0.00 C +HETATM 638 C2 UFX A 54 18.683 -4.716 7.572 1.00 0.00 C +HETATM 639 C3 UFX A 54 17.986 -3.555 6.827 1.00 0.00 C +HETATM 640 O1 UFX A 54 18.877 -2.455 6.849 1.00 0.00 O +HETATM 641 H1 UFX A 54 16.959 -5.809 7.991 1.00 0.00 H +HETATM 642 H2 UFX A 54 17.888 -6.434 6.605 1.00 0.00 H +HETATM 643 H3 UFX A 54 18.399 -6.726 8.309 1.00 0.00 H +HETATM 644 H4 UFX A 54 18.776 -4.421 8.617 1.00 0.00 H +HETATM 645 H5 UFX A 54 19.655 -4.798 7.084 1.00 0.00 H +HETATM 646 H6 UFX A 54 17.003 -3.347 7.250 1.00 0.00 H +HETATM 647 H7 UFX A 54 17.787 -3.839 5.793 1.00 0.00 H +HETATM 648 H8 UFX A 54 18.471 -1.669 6.425 1.00 0.00 H +HETATM 649 C1 UFX A 55 11.582 6.100 4.345 1.00 0.00 C +HETATM 650 C2 UFX A 55 12.326 7.028 3.465 1.00 0.00 C +HETATM 651 C3 UFX A 55 13.608 7.555 4.243 1.00 0.00 C +HETATM 652 O1 UFX A 55 13.228 8.097 5.512 1.00 0.00 O +HETATM 653 H1 UFX A 55 11.165 6.533 5.254 1.00 0.00 H +HETATM 654 H2 UFX A 55 10.707 5.697 3.836 1.00 0.00 H +HETATM 655 H3 UFX A 55 12.110 5.197 4.652 1.00 0.00 H +HETATM 656 H4 UFX A 55 12.555 6.482 2.550 1.00 0.00 H +HETATM 657 H5 UFX A 55 11.676 7.852 3.174 1.00 0.00 H +HETATM 658 H6 UFX A 55 14.338 8.090 3.635 1.00 0.00 H +HETATM 659 H7 UFX A 55 14.223 6.690 4.493 1.00 0.00 H +HETATM 660 H8 UFX A 55 13.894 8.667 5.953 1.00 0.00 H +HETATM 661 C1 UFX A 56 17.904 3.076 -3.165 1.00 0.00 C +HETATM 662 C2 UFX A 56 17.711 4.343 -2.383 1.00 0.00 C +HETATM 663 C3 UFX A 56 18.858 4.462 -1.337 1.00 0.00 C +HETATM 664 O1 UFX A 56 18.743 3.447 -0.317 1.00 0.00 O +HETATM 665 H1 UFX A 56 18.827 3.130 -3.741 1.00 0.00 H +HETATM 666 H2 UFX A 56 17.889 2.173 -2.555 1.00 0.00 H +HETATM 667 H3 UFX A 56 17.042 3.065 -3.832 1.00 0.00 H +HETATM 668 H4 UFX A 56 17.727 5.220 -3.030 1.00 0.00 H +HETATM 669 H5 UFX A 56 16.753 4.433 -1.870 1.00 0.00 H +HETATM 670 H6 UFX A 56 18.794 5.450 -0.881 1.00 0.00 H +HETATM 671 H7 UFX A 56 19.811 4.460 -1.866 1.00 0.00 H +HETATM 672 H8 UFX A 56 18.022 3.644 0.319 1.00 0.00 H +HETATM 673 C1 UFX A 57 6.439 15.682 7.340 1.00 0.00 C +HETATM 674 C2 UFX A 57 7.380 16.209 8.493 1.00 0.00 C +HETATM 675 C3 UFX A 57 8.662 16.915 8.071 1.00 0.00 C +HETATM 676 O1 UFX A 57 9.403 16.116 7.185 1.00 0.00 O +HETATM 677 H1 UFX A 57 6.300 16.460 6.589 1.00 0.00 H +HETATM 678 H2 UFX A 57 6.985 14.886 6.834 1.00 0.00 H +HETATM 679 H3 UFX A 57 5.460 15.292 7.621 1.00 0.00 H +HETATM 680 H4 UFX A 57 6.775 16.862 9.122 1.00 0.00 H +HETATM 681 H5 UFX A 57 7.646 15.374 9.140 1.00 0.00 H +HETATM 682 H6 UFX A 57 9.180 17.237 8.974 1.00 0.00 H +HETATM 683 H7 UFX A 57 8.479 17.822 7.493 1.00 0.00 H +HETATM 684 H8 UFX A 57 9.673 15.260 7.581 1.00 0.00 H +HETATM 685 C1 UFX A 58 -0.171 24.380 -4.196 1.00 0.00 C +HETATM 686 C2 UFX A 58 -0.464 22.788 -4.013 1.00 0.00 C +HETATM 687 C3 UFX A 58 -1.971 22.599 -3.716 1.00 0.00 C +HETATM 688 O1 UFX A 58 -2.239 21.179 -3.501 1.00 0.00 O +HETATM 689 H1 UFX A 58 -0.392 24.933 -3.283 1.00 0.00 H +HETATM 690 H2 UFX A 58 0.859 24.501 -4.532 1.00 0.00 H +HETATM 691 H3 UFX A 58 -0.822 24.793 -4.967 1.00 0.00 H +HETATM 692 H4 UFX A 58 -0.216 22.174 -4.880 1.00 0.00 H +HETATM 693 H5 UFX A 58 0.045 22.367 -3.146 1.00 0.00 H +HETATM 694 H6 UFX A 58 -2.468 22.971 -4.612 1.00 0.00 H +HETATM 695 H7 UFX A 58 -2.284 23.179 -2.847 1.00 0.00 H +HETATM 696 H8 UFX A 58 -1.561 20.778 -2.916 1.00 0.00 H +HETATM 697 C1 UFX A 59 22.187 20.544 6.276 1.00 0.00 C +HETATM 698 C2 UFX A 59 22.109 19.720 7.604 1.00 0.00 C +HETATM 699 C3 UFX A 59 23.376 19.840 8.378 1.00 0.00 C +HETATM 700 O1 UFX A 59 23.643 21.175 8.715 1.00 0.00 O +HETATM 701 H1 UFX A 59 21.240 20.547 5.735 1.00 0.00 H +HETATM 702 H2 UFX A 59 22.504 21.559 6.517 1.00 0.00 H +HETATM 703 H3 UFX A 59 22.989 20.177 5.636 1.00 0.00 H +HETATM 704 H4 UFX A 59 21.226 19.944 8.203 1.00 0.00 H +HETATM 705 H5 UFX A 59 22.009 18.687 7.272 1.00 0.00 H +HETATM 706 H6 UFX A 59 24.159 19.505 7.697 1.00 0.00 H +HETATM 707 H7 UFX A 59 23.275 19.218 9.268 1.00 0.00 H +HETATM 708 H8 UFX A 59 22.810 21.691 8.674 1.00 0.00 H +HETATM 709 C1 UFX A 60 30.758 7.864 18.228 1.00 0.00 C +HETATM 710 C2 UFX A 60 31.393 6.878 19.215 1.00 0.00 C +HETATM 711 C3 UFX A 60 31.735 5.596 18.494 1.00 0.00 C +HETATM 712 O1 UFX A 60 30.594 4.769 18.310 1.00 0.00 O +HETATM 713 H1 UFX A 60 30.511 8.818 18.695 1.00 0.00 H +HETATM 714 H2 UFX A 60 31.390 8.144 17.385 1.00 0.00 H +HETATM 715 H3 UFX A 60 29.812 7.481 17.845 1.00 0.00 H +HETATM 716 H4 UFX A 60 32.319 7.279 19.625 1.00 0.00 H +HETATM 717 H5 UFX A 60 30.736 6.761 20.077 1.00 0.00 H +HETATM 718 H6 UFX A 60 32.583 5.074 18.937 1.00 0.00 H +HETATM 719 H7 UFX A 60 32.213 5.930 17.574 1.00 0.00 H +HETATM 720 H8 UFX A 60 30.367 4.136 19.024 1.00 0.00 H +HETATM 721 C1 UFX A 61 19.200 4.265 18.195 1.00 0.00 C +HETATM 722 C2 UFX A 61 19.217 2.925 18.877 1.00 0.00 C +HETATM 723 C3 UFX A 61 18.994 2.904 20.439 1.00 0.00 C +HETATM 724 O1 UFX A 61 17.722 3.416 20.806 1.00 0.00 O +HETATM 725 H1 UFX A 61 20.012 4.890 18.567 1.00 0.00 H +HETATM 726 H2 UFX A 61 19.288 4.151 17.115 1.00 0.00 H +HETATM 727 H3 UFX A 61 18.257 4.737 18.471 1.00 0.00 H +HETATM 728 H4 UFX A 61 18.480 2.288 18.386 1.00 0.00 H +HETATM 729 H5 UFX A 61 20.159 2.438 18.624 1.00 0.00 H +HETATM 730 H6 UFX A 61 19.842 3.414 20.895 1.00 0.00 H +HETATM 731 H7 UFX A 61 19.001 1.879 20.809 1.00 0.00 H +HETATM 732 H8 UFX A 61 17.004 2.783 20.590 1.00 0.00 H +HETATM 733 C1 UFX A 62 5.988 24.421 2.921 1.00 0.00 C +HETATM 734 C2 UFX A 62 6.019 23.587 4.188 1.00 0.00 C +HETATM 735 C3 UFX A 62 4.619 23.610 4.808 1.00 0.00 C +HETATM 736 O1 UFX A 62 3.766 22.608 4.241 1.00 0.00 O +HETATM 737 H1 UFX A 62 5.503 25.397 2.918 1.00 0.00 H +HETATM 738 H2 UFX A 62 7.000 24.521 2.530 1.00 0.00 H +HETATM 739 H3 UFX A 62 5.457 23.793 2.205 1.00 0.00 H +HETATM 740 H4 UFX A 62 6.266 22.606 3.782 1.00 0.00 H +HETATM 741 H5 UFX A 62 6.741 23.973 4.908 1.00 0.00 H +HETATM 742 H6 UFX A 62 4.245 24.632 4.748 1.00 0.00 H +HETATM 743 H7 UFX A 62 4.741 23.383 5.868 1.00 0.00 H +HETATM 744 H8 UFX A 62 3.720 22.787 3.278 1.00 0.00 H +HETATM 745 C1 UFX A 63 32.240 1.138 3.577 1.00 0.00 C +HETATM 746 C2 UFX A 63 32.412 -0.334 3.161 1.00 0.00 C +HETATM 747 C3 UFX A 63 31.837 -1.346 4.201 1.00 0.00 C +HETATM 748 O1 UFX A 63 32.658 -1.421 5.402 1.00 0.00 O +HETATM 749 H1 UFX A 63 31.247 1.293 3.999 1.00 0.00 H +HETATM 750 H2 UFX A 63 33.013 1.436 4.285 1.00 0.00 H +HETATM 751 H3 UFX A 63 32.339 1.701 2.649 1.00 0.00 H +HETATM 752 H4 UFX A 63 31.834 -0.485 2.249 1.00 0.00 H +HETATM 753 H5 UFX A 63 33.464 -0.595 3.048 1.00 0.00 H +HETATM 754 H6 UFX A 63 31.776 -2.363 3.814 1.00 0.00 H +HETATM 755 H7 UFX A 63 30.782 -1.224 4.448 1.00 0.00 H +HETATM 756 H8 UFX A 63 32.655 -0.546 5.846 1.00 0.00 H +HETATM 757 C1 UFX A 64 29.865 9.553 3.373 1.00 0.00 C +HETATM 758 C2 UFX A 64 29.531 8.330 2.486 1.00 0.00 C +HETATM 759 C3 UFX A 64 29.024 8.709 1.082 1.00 0.00 C +HETATM 760 O1 UFX A 64 27.803 9.558 1.192 1.00 0.00 O +HETATM 761 H1 UFX A 64 30.728 10.084 2.971 1.00 0.00 H +HETATM 762 H2 UFX A 64 28.991 10.200 3.442 1.00 0.00 H +HETATM 763 H3 UFX A 64 30.149 9.143 4.343 1.00 0.00 H +HETATM 764 H4 UFX A 64 30.386 7.686 2.282 1.00 0.00 H +HETATM 765 H5 UFX A 64 28.797 7.733 3.027 1.00 0.00 H +HETATM 766 H6 UFX A 64 28.717 7.769 0.623 1.00 0.00 H +HETATM 767 H7 UFX A 64 29.837 9.168 0.519 1.00 0.00 H +HETATM 768 H8 UFX A 64 27.131 9.105 1.745 1.00 0.00 H +HETATM 769 C1 UFX A 65 17.731 2.058 3.563 1.00 0.00 C +HETATM 770 C2 UFX A 65 16.384 1.547 4.199 1.00 0.00 C +HETATM 771 C3 UFX A 65 16.586 0.000 4.483 1.00 0.00 C +HETATM 772 O1 UFX A 65 17.597 -0.280 5.501 1.00 0.00 O +HETATM 773 H1 UFX A 65 17.950 1.452 2.683 1.00 0.00 H +HETATM 774 H2 UFX A 65 17.602 3.117 3.338 1.00 0.00 H +HETATM 775 H3 UFX A 65 18.529 1.989 4.302 1.00 0.00 H +HETATM 776 H4 UFX A 65 16.108 2.077 5.110 1.00 0.00 H +HETATM 777 H5 UFX A 65 15.556 1.662 3.499 1.00 0.00 H +HETATM 778 H6 UFX A 65 16.897 -0.469 3.550 1.00 0.00 H +HETATM 779 H7 UFX A 65 15.625 -0.452 4.730 1.00 0.00 H +HETATM 780 H8 UFX A 65 18.479 0.045 5.221 1.00 0.00 H +HETATM 781 C1 UFX A 66 9.355 26.257 1.852 1.00 0.00 C +HETATM 782 C2 UFX A 66 9.846 24.904 1.338 1.00 0.00 C +HETATM 783 C3 UFX A 66 10.862 24.502 2.374 1.00 0.00 C +HETATM 784 O1 UFX A 66 11.947 25.357 2.475 1.00 0.00 O +HETATM 785 H1 UFX A 66 8.772 26.712 1.052 1.00 0.00 H +HETATM 786 H2 UFX A 66 8.687 26.111 2.701 1.00 0.00 H +HETATM 787 H3 UFX A 66 10.175 26.919 2.131 1.00 0.00 H +HETATM 788 H4 UFX A 66 9.098 24.135 1.144 1.00 0.00 H +HETATM 789 H5 UFX A 66 10.316 25.032 0.362 1.00 0.00 H +HETATM 790 H6 UFX A 66 11.296 23.542 2.094 1.00 0.00 H +HETATM 791 H7 UFX A 66 10.428 24.458 3.373 1.00 0.00 H +HETATM 792 H8 UFX A 66 12.808 24.905 2.605 1.00 0.00 H +HETATM 793 C1 UFX A 67 0.715 4.463 22.709 1.00 0.00 C +HETATM 794 C2 UFX A 67 1.991 4.420 21.790 1.00 0.00 C +HETATM 795 C3 UFX A 67 3.215 4.217 22.680 1.00 0.00 C +HETATM 796 O1 UFX A 67 4.352 4.302 21.866 1.00 0.00 O +HETATM 797 H1 UFX A 67 0.477 3.517 23.194 1.00 0.00 H +HETATM 798 H2 UFX A 67 0.921 5.148 23.531 1.00 0.00 H +HETATM 799 H3 UFX A 67 -0.078 4.956 22.146 1.00 0.00 H +HETATM 800 H4 UFX A 67 1.856 3.635 21.046 1.00 0.00 H +HETATM 801 H5 UFX A 67 2.027 5.314 21.167 1.00 0.00 H +HETATM 802 H6 UFX A 67 3.134 3.253 23.183 1.00 0.00 H +HETATM 803 H7 UFX A 67 3.189 5.033 23.402 1.00 0.00 H +HETATM 804 H8 UFX A 67 4.363 5.135 21.348 1.00 0.00 H +HETATM 805 C1 UFX A 68 7.293 28.633 3.489 1.00 0.00 C +HETATM 806 C2 UFX A 68 6.837 28.841 4.923 1.00 0.00 C +HETATM 807 C3 UFX A 68 5.358 28.853 5.117 1.00 0.00 C +HETATM 808 O1 UFX A 68 4.859 27.548 5.096 1.00 0.00 O +HETATM 809 H1 UFX A 68 6.891 27.672 3.170 1.00 0.00 H +HETATM 810 H2 UFX A 68 6.919 29.402 2.813 1.00 0.00 H +HETATM 811 H3 UFX A 68 8.373 28.488 3.443 1.00 0.00 H +HETATM 812 H4 UFX A 68 7.291 28.008 5.462 1.00 0.00 H +HETATM 813 H5 UFX A 68 7.159 29.818 5.285 1.00 0.00 H +HETATM 814 H6 UFX A 68 4.861 29.409 4.322 1.00 0.00 H +HETATM 815 H7 UFX A 68 5.035 29.334 6.041 1.00 0.00 H +HETATM 816 H8 UFX A 68 3.900 27.514 5.298 1.00 0.00 H +HETATM 817 C1 UFX A 69 11.557 10.134 1.323 1.00 0.00 C +HETATM 818 C2 UFX A 69 10.369 10.670 2.206 1.00 0.00 C +HETATM 819 C3 UFX A 69 9.606 11.696 1.332 1.00 0.00 C +HETATM 820 O1 UFX A 69 8.235 11.469 1.728 1.00 0.00 O +HETATM 821 H1 UFX A 69 11.226 9.396 0.593 1.00 0.00 H +HETATM 822 H2 UFX A 69 12.094 10.946 0.833 1.00 0.00 H +HETATM 823 H3 UFX A 69 12.277 9.684 2.007 1.00 0.00 H +HETATM 824 H4 UFX A 69 9.774 9.841 2.590 1.00 0.00 H +HETATM 825 H5 UFX A 69 10.798 11.038 3.139 1.00 0.00 H +HETATM 826 H6 UFX A 69 9.756 11.590 0.258 1.00 0.00 H +HETATM 827 H7 UFX A 69 9.921 12.723 1.520 1.00 0.00 H +HETATM 828 H8 UFX A 69 8.179 11.331 2.698 1.00 0.00 H +HETATM 829 C1 UFX A 70 12.850 17.931 6.227 1.00 0.00 C +HETATM 830 C2 UFX A 70 13.390 16.576 6.195 1.00 0.00 C +HETATM 831 C3 UFX A 70 14.859 16.581 6.255 1.00 0.00 C +HETATM 832 O1 UFX A 70 15.385 17.052 5.085 1.00 0.00 O +HETATM 833 H1 UFX A 70 11.761 17.955 6.284 1.00 0.00 H +HETATM 834 H2 UFX A 70 13.274 18.459 7.081 1.00 0.00 H +HETATM 835 H3 UFX A 70 13.115 18.504 5.338 1.00 0.00 H +HETATM 836 H4 UFX A 70 13.089 16.047 7.100 1.00 0.00 H +HETATM 837 H5 UFX A 70 13.007 16.056 5.317 1.00 0.00 H +HETATM 838 H6 UFX A 70 15.183 15.550 6.398 1.00 0.00 H +HETATM 839 H7 UFX A 70 15.267 17.182 7.067 1.00 0.00 H +HETATM 840 H8 UFX A 70 15.072 16.525 4.320 1.00 0.00 H +HETATM 841 C1 UFX A 71 13.905 17.469 14.382 1.00 0.00 C +HETATM 842 C2 UFX A 71 14.748 16.197 14.151 1.00 0.00 C +HETATM 843 C3 UFX A 71 15.895 16.004 15.138 1.00 0.00 C +HETATM 844 O1 UFX A 71 16.847 17.127 15.040 1.00 0.00 O +HETATM 845 H1 UFX A 71 13.785 17.600 15.457 1.00 0.00 H +HETATM 846 H2 UFX A 71 14.466 18.247 13.864 1.00 0.00 H +HETATM 847 H3 UFX A 71 12.917 17.357 13.937 1.00 0.00 H +HETATM 848 H4 UFX A 71 14.111 15.316 14.235 1.00 0.00 H +HETATM 849 H5 UFX A 71 15.128 16.365 13.143 1.00 0.00 H +HETATM 850 H6 UFX A 71 16.369 15.057 14.880 1.00 0.00 H +HETATM 851 H7 UFX A 71 15.487 15.936 16.146 1.00 0.00 H +HETATM 852 H8 UFX A 71 16.680 17.813 15.721 1.00 0.00 H +HETATM 853 C1 UFX A 72 18.087 26.602 11.641 1.00 0.00 C +HETATM 854 C2 UFX A 72 16.777 27.307 12.046 1.00 0.00 C +HETATM 855 C3 UFX A 72 15.646 26.274 12.464 1.00 0.00 C +HETATM 856 O1 UFX A 72 14.935 25.791 11.323 1.00 0.00 O +HETATM 857 H1 UFX A 72 17.926 25.735 11.000 1.00 0.00 H +HETATM 858 H2 UFX A 72 18.867 27.282 11.296 1.00 0.00 H +HETATM 859 H3 UFX A 72 18.464 26.157 12.562 1.00 0.00 H +HETATM 860 H4 UFX A 72 17.049 27.977 12.861 1.00 0.00 H +HETATM 861 H5 UFX A 72 16.379 27.936 11.250 1.00 0.00 H +HETATM 862 H6 UFX A 72 14.940 26.823 13.086 1.00 0.00 H +HETATM 863 H7 UFX A 72 16.025 25.461 13.084 1.00 0.00 H +HETATM 864 H8 UFX A 72 14.379 26.531 10.998 1.00 0.00 H +HETATM 865 C1 UFX A 73 1.151 0.276 20.611 1.00 0.00 C +HETATM 866 C2 UFX A 73 2.290 0.496 19.612 1.00 0.00 C +HETATM 867 C3 UFX A 73 2.113 1.622 18.658 1.00 0.00 C +HETATM 868 O1 UFX A 73 0.777 1.655 18.166 1.00 0.00 O +HETATM 869 H1 UFX A 73 1.337 -0.567 21.276 1.00 0.00 H +HETATM 870 H2 UFX A 73 0.880 1.161 21.188 1.00 0.00 H +HETATM 871 H3 UFX A 73 0.271 -0.026 20.042 1.00 0.00 H +HETATM 872 H4 UFX A 73 3.198 0.693 20.182 1.00 0.00 H +HETATM 873 H5 UFX A 73 2.471 -0.480 19.161 1.00 0.00 H +HETATM 874 H6 UFX A 73 2.774 1.543 17.795 1.00 0.00 H +HETATM 875 H7 UFX A 73 2.404 2.531 19.185 1.00 0.00 H +HETATM 876 H8 UFX A 73 0.711 1.344 17.238 1.00 0.00 H +HETATM 877 C1 UFX A 74 13.244 -4.589 20.935 1.00 0.00 C +HETATM 878 C2 UFX A 74 14.640 -4.278 20.772 1.00 0.00 C +HETATM 879 C3 UFX A 74 15.223 -3.734 22.021 1.00 0.00 C +HETATM 880 O1 UFX A 74 16.474 -3.272 21.663 1.00 0.00 O +HETATM 881 H1 UFX A 74 12.678 -3.723 21.280 1.00 0.00 H +HETATM 882 H2 UFX A 74 12.857 -4.960 19.985 1.00 0.00 H +HETATM 883 H3 UFX A 74 13.004 -5.342 21.686 1.00 0.00 H +HETATM 884 H4 UFX A 74 15.084 -5.253 20.573 1.00 0.00 H +HETATM 885 H5 UFX A 74 14.803 -3.744 19.836 1.00 0.00 H +HETATM 886 H6 UFX A 74 15.260 -4.520 22.775 1.00 0.00 H +HETATM 887 H7 UFX A 74 14.572 -2.992 22.484 1.00 0.00 H +HETATM 888 H8 UFX A 74 16.375 -2.705 20.869 1.00 0.00 H +HETATM 889 C1 UFX A 75 26.833 13.157 6.462 1.00 0.00 C +HETATM 890 C2 UFX A 75 27.458 11.816 6.721 1.00 0.00 C +HETATM 891 C3 UFX A 75 28.849 11.866 7.343 1.00 0.00 C +HETATM 892 O1 UFX A 75 29.046 10.673 7.971 1.00 0.00 O +HETATM 893 H1 UFX A 75 27.456 13.703 5.753 1.00 0.00 H +HETATM 894 H2 UFX A 75 25.915 12.984 5.900 1.00 0.00 H +HETATM 895 H3 UFX A 75 26.667 13.719 7.381 1.00 0.00 H +HETATM 896 H4 UFX A 75 26.808 11.256 7.394 1.00 0.00 H +HETATM 897 H5 UFX A 75 27.496 11.249 5.791 1.00 0.00 H +HETATM 898 H6 UFX A 75 28.898 12.717 8.022 1.00 0.00 H +HETATM 899 H7 UFX A 75 29.566 12.087 6.553 1.00 0.00 H +HETATM 900 H8 UFX A 75 29.922 10.704 8.411 1.00 0.00 H +HETATM 901 C1 UFX A 76 -0.691 28.607 0.801 1.00 0.00 C +HETATM 902 C2 UFX A 76 -1.134 27.722 -0.398 1.00 0.00 C +HETATM 903 C3 UFX A 76 -0.173 26.585 -0.538 1.00 0.00 C +HETATM 904 O1 UFX A 76 1.223 26.890 -0.817 1.00 0.00 O +HETATM 905 H1 UFX A 76 -1.326 29.489 0.889 1.00 0.00 H +HETATM 906 H2 UFX A 76 -0.728 28.067 1.747 1.00 0.00 H +HETATM 907 H3 UFX A 76 0.319 29.007 0.710 1.00 0.00 H +HETATM 908 H4 UFX A 76 -2.174 27.396 -0.365 1.00 0.00 H +HETATM 909 H5 UFX A 76 -1.075 28.202 -1.375 1.00 0.00 H +HETATM 910 H6 UFX A 76 -0.594 25.862 -1.237 1.00 0.00 H +HETATM 911 H7 UFX A 76 -0.132 26.012 0.389 1.00 0.00 H +HETATM 912 H8 UFX A 76 1.331 27.365 -1.669 1.00 0.00 H +HETATM 913 C1 UFX A 77 18.638 16.934 -0.769 1.00 0.00 C +HETATM 914 C2 UFX A 77 18.338 16.220 0.529 1.00 0.00 C +HETATM 915 C3 UFX A 77 17.863 17.218 1.520 1.00 0.00 C +HETATM 916 O1 UFX A 77 19.029 17.957 1.937 1.00 0.00 O +HETATM 917 H1 UFX A 77 19.544 17.535 -0.689 1.00 0.00 H +HETATM 918 H2 UFX A 77 18.935 16.255 -1.568 1.00 0.00 H +HETATM 919 H3 UFX A 77 17.804 17.533 -1.137 1.00 0.00 H +HETATM 920 H4 UFX A 77 17.496 15.563 0.313 1.00 0.00 H +HETATM 921 H5 UFX A 77 19.264 15.716 0.808 1.00 0.00 H +HETATM 922 H6 UFX A 77 17.571 16.662 2.411 1.00 0.00 H +HETATM 923 H7 UFX A 77 17.054 17.822 1.109 1.00 0.00 H +HETATM 924 H8 UFX A 77 19.230 18.644 1.266 1.00 0.00 H +HETATM 925 C1 UFX A 78 27.875 28.959 4.615 1.00 0.00 C +HETATM 926 C2 UFX A 78 27.486 28.370 3.244 1.00 0.00 C +HETATM 927 C3 UFX A 78 26.919 27.018 3.386 1.00 0.00 C +HETATM 928 O1 UFX A 78 27.806 26.213 4.186 1.00 0.00 O +HETATM 929 H1 UFX A 78 28.598 28.294 5.087 1.00 0.00 H +HETATM 930 H2 UFX A 78 28.334 29.938 4.478 1.00 0.00 H +HETATM 931 H3 UFX A 78 27.019 28.898 5.286 1.00 0.00 H +HETATM 932 H4 UFX A 78 26.722 29.015 2.809 1.00 0.00 H +HETATM 933 H5 UFX A 78 28.320 28.420 2.543 1.00 0.00 H +HETATM 934 H6 UFX A 78 26.902 26.486 2.435 1.00 0.00 H +HETATM 935 H7 UFX A 78 25.921 26.937 3.817 1.00 0.00 H +HETATM 936 H8 UFX A 78 27.391 25.379 4.495 1.00 0.00 H +HETATM 937 C1 UFX A 79 28.262 5.846 16.267 1.00 0.00 C +HETATM 938 C2 UFX A 79 28.335 4.898 15.021 1.00 0.00 C +HETATM 939 C3 UFX A 79 28.980 3.470 15.415 1.00 0.00 C +HETATM 940 O1 UFX A 79 30.339 3.628 15.903 1.00 0.00 O +HETATM 941 H1 UFX A 79 27.340 5.611 16.800 1.00 0.00 H +HETATM 942 H2 UFX A 79 29.128 5.718 16.917 1.00 0.00 H +HETATM 943 H3 UFX A 79 28.248 6.905 16.007 1.00 0.00 H +HETATM 944 H4 UFX A 79 27.378 4.809 14.507 1.00 0.00 H +HETATM 945 H5 UFX A 79 28.873 5.390 14.211 1.00 0.00 H +HETATM 946 H6 UFX A 79 28.902 2.813 14.548 1.00 0.00 H +HETATM 947 H7 UFX A 79 28.461 2.968 16.231 1.00 0.00 H +HETATM 948 H8 UFX A 79 30.375 4.240 16.668 1.00 0.00 H +HETATM 949 C1 UFX A 80 23.020 17.456 12.481 1.00 0.00 C +HETATM 950 C2 UFX A 80 22.269 17.054 13.830 1.00 0.00 C +HETATM 951 C3 UFX A 80 21.687 18.211 14.642 1.00 0.00 C +HETATM 952 O1 UFX A 80 20.872 19.053 13.793 1.00 0.00 O +HETATM 953 H1 UFX A 80 23.668 16.670 12.092 1.00 0.00 H +HETATM 954 H2 UFX A 80 22.282 17.783 11.748 1.00 0.00 H +HETATM 955 H3 UFX A 80 23.654 18.307 12.729 1.00 0.00 H +HETATM 956 H4 UFX A 80 21.519 16.288 13.631 1.00 0.00 H +HETATM 957 H5 UFX A 80 22.947 16.471 14.454 1.00 0.00 H +HETATM 958 H6 UFX A 80 22.569 18.761 14.970 1.00 0.00 H +HETATM 959 H7 UFX A 80 21.093 17.930 15.512 1.00 0.00 H +HETATM 960 H8 UFX A 80 20.164 18.507 13.389 1.00 0.00 H +HETATM 961 C1 UFX A 81 23.995 25.752 -8.512 1.00 0.00 C +HETATM 962 C2 UFX A 81 24.732 26.103 -7.205 1.00 0.00 C +HETATM 963 C3 UFX A 81 23.947 25.638 -5.988 1.00 0.00 C +HETATM 964 O1 UFX A 81 24.732 25.861 -4.857 1.00 0.00 O +HETATM 965 H1 UFX A 81 23.607 24.737 -8.590 1.00 0.00 H +HETATM 966 H2 UFX A 81 23.142 26.426 -8.600 1.00 0.00 H +HETATM 967 H3 UFX A 81 24.551 25.933 -9.432 1.00 0.00 H +HETATM 968 H4 UFX A 81 25.766 25.758 -7.211 1.00 0.00 H +HETATM 969 H5 UFX A 81 24.849 27.186 -7.244 1.00 0.00 H +HETATM 970 H6 UFX A 81 23.801 24.558 -6.003 1.00 0.00 H +HETATM 971 H7 UFX A 81 22.965 26.093 -5.857 1.00 0.00 H +HETATM 972 H8 UFX A 81 24.921 26.809 -4.691 1.00 0.00 H +HETATM 973 C1 UFX A 82 2.986 13.461 13.614 1.00 0.00 C +HETATM 974 C2 UFX A 82 2.815 13.194 12.104 1.00 0.00 C +HETATM 975 C3 UFX A 82 2.341 11.833 11.718 1.00 0.00 C +HETATM 976 O1 UFX A 82 0.923 11.637 12.180 1.00 0.00 O +HETATM 977 H1 UFX A 82 3.444 14.432 13.802 1.00 0.00 H +HETATM 978 H2 UFX A 82 2.063 13.387 14.189 1.00 0.00 H +HETATM 979 H3 UFX A 82 3.629 12.649 13.954 1.00 0.00 H +HETATM 980 H4 UFX A 82 2.097 13.915 11.713 1.00 0.00 H +HETATM 981 H5 UFX A 82 3.719 13.491 11.571 1.00 0.00 H +HETATM 982 H6 UFX A 82 3.014 11.120 12.195 1.00 0.00 H +HETATM 983 H7 UFX A 82 2.371 11.888 10.629 1.00 0.00 H +HETATM 984 H8 UFX A 82 0.372 12.176 11.573 1.00 0.00 H +HETATM 985 C1 UFX A 83 12.899 2.854 1.561 1.00 0.00 C +HETATM 986 C2 UFX A 83 13.955 4.005 1.661 1.00 0.00 C +HETATM 987 C3 UFX A 83 15.253 3.595 1.096 1.00 0.00 C +HETATM 988 O1 UFX A 83 16.169 4.653 1.191 1.00 0.00 O +HETATM 989 H1 UFX A 83 13.309 1.924 1.953 1.00 0.00 H +HETATM 990 H2 UFX A 83 12.012 3.054 2.163 1.00 0.00 H +HETATM 991 H3 UFX A 83 12.652 2.733 0.506 1.00 0.00 H +HETATM 992 H4 UFX A 83 13.641 4.915 1.150 1.00 0.00 H +HETATM 993 H5 UFX A 83 14.093 4.171 2.729 1.00 0.00 H +HETATM 994 H6 UFX A 83 15.218 3.259 0.059 1.00 0.00 H +HETATM 995 H7 UFX A 83 15.582 2.705 1.633 1.00 0.00 H +HETATM 996 H8 UFX A 83 15.962 5.393 0.581 1.00 0.00 H +HETATM 997 C1 UFX A 84 16.698 21.580 21.234 1.00 0.00 C +HETATM 998 C2 UFX A 84 16.196 20.633 22.283 1.00 0.00 C +HETATM 999 C3 UFX A 84 16.664 21.017 23.687 1.00 0.00 C +HETATM 1000 O1 UFX A 84 18.116 20.829 23.688 1.00 0.00 O +HETATM 1001 H1 UFX A 84 16.333 22.578 21.477 1.00 0.00 H +HETATM 1002 H2 UFX A 84 17.768 21.438 21.076 1.00 0.00 H +HETATM 1003 H3 UFX A 84 16.238 21.326 20.279 1.00 0.00 H +HETATM 1004 H4 UFX A 84 15.109 20.561 22.226 1.00 0.00 H +HETATM 1005 H5 UFX A 84 16.625 19.637 22.180 1.00 0.00 H +HETATM 1006 H6 UFX A 84 16.128 20.499 24.483 1.00 0.00 H +HETATM 1007 H7 UFX A 84 16.515 22.095 23.745 1.00 0.00 H +HETATM 1008 H8 UFX A 84 18.439 19.909 23.576 1.00 0.00 H +HETATM 1009 C1 UFX A 85 28.156 -1.042 30.757 1.00 0.00 C +HETATM 1010 C2 UFX A 85 29.037 -0.619 29.651 1.00 0.00 C +HETATM 1011 C3 UFX A 85 28.981 0.929 29.437 1.00 0.00 C +HETATM 1012 O1 UFX A 85 28.088 1.104 28.372 1.00 0.00 O +HETATM 1013 H1 UFX A 85 28.478 -0.571 31.686 1.00 0.00 H +HETATM 1014 H2 UFX A 85 27.167 -0.600 30.631 1.00 0.00 H +HETATM 1015 H3 UFX A 85 28.026 -2.120 30.856 1.00 0.00 H +HETATM 1016 H4 UFX A 85 30.075 -0.854 29.888 1.00 0.00 H +HETATM 1017 H5 UFX A 85 28.754 -1.140 28.737 1.00 0.00 H +HETATM 1018 H6 UFX A 85 29.982 1.218 29.117 1.00 0.00 H +HETATM 1019 H7 UFX A 85 28.621 1.500 30.293 1.00 0.00 H +HETATM 1020 H8 UFX A 85 28.425 0.637 27.578 1.00 0.00 H +HETATM 1021 C1 UFX A 86 23.833 33.672 15.224 1.00 0.00 C +HETATM 1022 C2 UFX A 86 23.959 33.781 16.795 1.00 0.00 C +HETATM 1023 C3 UFX A 86 23.169 32.666 17.407 1.00 0.00 C +HETATM 1024 O1 UFX A 86 23.595 31.366 16.884 1.00 0.00 O +HETATM 1025 H1 UFX A 86 23.974 34.648 14.759 1.00 0.00 H +HETATM 1026 H2 UFX A 86 24.630 33.034 14.841 1.00 0.00 H +HETATM 1027 H3 UFX A 86 22.891 33.259 14.862 1.00 0.00 H +HETATM 1028 H4 UFX A 86 25.018 33.645 17.016 1.00 0.00 H +HETATM 1029 H5 UFX A 86 23.650 34.746 17.199 1.00 0.00 H +HETATM 1030 H6 UFX A 86 22.099 32.830 17.274 1.00 0.00 H +HETATM 1031 H7 UFX A 86 23.224 32.655 18.495 1.00 0.00 H +HETATM 1032 H8 UFX A 86 23.498 31.313 15.909 1.00 0.00 H +HETATM 1033 C1 UFX A 87 2.997 13.632 7.055 1.00 0.00 C +HETATM 1034 C2 UFX A 87 1.558 13.537 7.462 1.00 0.00 C +HETATM 1035 C3 UFX A 87 1.072 14.898 8.162 1.00 0.00 C +HETATM 1036 O1 UFX A 87 -0.241 14.951 8.699 1.00 0.00 O +HETATM 1037 H1 UFX A 87 3.197 12.808 6.370 1.00 0.00 H +HETATM 1038 H2 UFX A 87 3.211 14.569 6.541 1.00 0.00 H +HETATM 1039 H3 UFX A 87 3.696 13.557 7.889 1.00 0.00 H +HETATM 1040 H4 UFX A 87 0.969 13.316 6.572 1.00 0.00 H +HETATM 1041 H5 UFX A 87 1.416 12.751 8.204 1.00 0.00 H +HETATM 1042 H6 UFX A 87 1.176 15.684 7.414 1.00 0.00 H +HETATM 1043 H7 UFX A 87 1.721 15.118 9.010 1.00 0.00 H +HETATM 1044 H8 UFX A 87 -0.487 15.879 8.904 1.00 0.00 H +HETATM 1045 C1 UFX A 88 22.012 16.131 28.230 1.00 0.00 C +HETATM 1046 C2 UFX A 88 22.573 14.815 27.706 1.00 0.00 C +HETATM 1047 C3 UFX A 88 22.725 14.775 26.166 1.00 0.00 C +HETATM 1048 O1 UFX A 88 21.480 14.528 25.594 1.00 0.00 O +HETATM 1049 H1 UFX A 88 22.549 17.017 27.891 1.00 0.00 H +HETATM 1050 H2 UFX A 88 20.996 16.369 27.914 1.00 0.00 H +HETATM 1051 H3 UFX A 88 22.069 16.088 29.318 1.00 0.00 H +HETATM 1052 H4 UFX A 88 23.536 14.588 28.163 1.00 0.00 H +HETATM 1053 H5 UFX A 88 21.900 14.013 28.008 1.00 0.00 H +HETATM 1054 H6 UFX A 88 23.370 13.950 25.863 1.00 0.00 H +HETATM 1055 H7 UFX A 88 23.195 15.706 25.849 1.00 0.00 H +HETATM 1056 H8 UFX A 88 21.520 14.321 24.636 1.00 0.00 H +HETATM 1057 C1 UFX A 89 3.891 21.427 12.224 1.00 0.00 C +HETATM 1058 C2 UFX A 89 3.377 21.945 10.838 1.00 0.00 C +HETATM 1059 C3 UFX A 89 3.642 20.999 9.615 1.00 0.00 C +HETATM 1060 O1 UFX A 89 2.898 21.471 8.513 1.00 0.00 O +HETATM 1061 H1 UFX A 89 3.247 20.623 12.582 1.00 0.00 H +HETATM 1062 H2 UFX A 89 4.936 21.117 12.227 1.00 0.00 H +HETATM 1063 H3 UFX A 89 3.773 22.223 12.960 1.00 0.00 H +HETATM 1064 H4 UFX A 89 2.306 22.122 10.938 1.00 0.00 H +HETATM 1065 H5 UFX A 89 3.854 22.894 10.592 1.00 0.00 H +HETATM 1066 H6 UFX A 89 3.384 19.996 9.957 1.00 0.00 H +HETATM 1067 H7 UFX A 89 4.706 20.861 9.422 1.00 0.00 H +HETATM 1068 H8 UFX A 89 3.305 21.160 7.676 1.00 0.00 H +HETATM 1069 C1 UFX A 90 14.566 3.720 39.230 1.00 0.00 C +HETATM 1070 C2 UFX A 90 13.576 4.755 38.714 1.00 0.00 C +HETATM 1071 C3 UFX A 90 13.482 5.895 39.715 1.00 0.00 C +HETATM 1072 O1 UFX A 90 12.762 5.400 40.905 1.00 0.00 O +HETATM 1073 H1 UFX A 90 14.569 2.840 38.587 1.00 0.00 H +HETATM 1074 H2 UFX A 90 15.631 3.950 39.253 1.00 0.00 H +HETATM 1075 H3 UFX A 90 14.259 3.365 40.214 1.00 0.00 H +HETATM 1076 H4 UFX A 90 13.864 5.177 37.751 1.00 0.00 H +HETATM 1077 H5 UFX A 90 12.586 4.340 38.525 1.00 0.00 H +HETATM 1078 H6 UFX A 90 12.885 6.712 39.309 1.00 0.00 H +HETATM 1079 H7 UFX A 90 14.486 6.236 39.969 1.00 0.00 H +HETATM 1080 H8 UFX A 90 11.826 5.221 40.672 1.00 0.00 H +HETATM 1081 C1 UFX A 91 10.841 4.378 -2.130 1.00 0.00 C +HETATM 1082 C2 UFX A 91 11.320 5.611 -1.432 1.00 0.00 C +HETATM 1083 C3 UFX A 91 12.654 5.922 -2.038 1.00 0.00 C +HETATM 1084 O1 UFX A 91 13.186 7.096 -1.375 1.00 0.00 O +HETATM 1085 H1 UFX A 91 10.964 4.479 -3.208 1.00 0.00 H +HETATM 1086 H2 UFX A 91 11.420 3.527 -1.771 1.00 0.00 H +HETATM 1087 H3 UFX A 91 9.791 4.194 -1.898 1.00 0.00 H +HETATM 1088 H4 UFX A 91 10.648 6.470 -1.460 1.00 0.00 H +HETATM 1089 H5 UFX A 91 11.585 5.348 -0.408 1.00 0.00 H +HETATM 1090 H6 UFX A 91 12.590 6.076 -3.115 1.00 0.00 H +HETATM 1091 H7 UFX A 91 13.272 5.031 -1.931 1.00 0.00 H +HETATM 1092 H8 UFX A 91 12.638 7.876 -1.606 1.00 0.00 H +HETATM 1093 C1 UFX A 92 28.732 -0.621 14.102 1.00 0.00 C +HETATM 1094 C2 UFX A 92 29.523 -0.608 15.385 1.00 0.00 C +HETATM 1095 C3 UFX A 92 29.685 -2.077 15.971 1.00 0.00 C +HETATM 1096 O1 UFX A 92 30.324 -2.906 15.061 1.00 0.00 O +HETATM 1097 H1 UFX A 92 28.626 0.429 13.830 1.00 0.00 H +HETATM 1098 H2 UFX A 92 29.212 -1.272 13.371 1.00 0.00 H +HETATM 1099 H3 UFX A 92 27.729 -1.047 14.148 1.00 0.00 H +HETATM 1100 H4 UFX A 92 30.505 -0.141 15.308 1.00 0.00 H +HETATM 1101 H5 UFX A 92 29.024 0.036 16.109 1.00 0.00 H +HETATM 1102 H6 UFX A 92 28.706 -2.497 16.203 1.00 0.00 H +HETATM 1103 H7 UFX A 92 30.242 -2.094 16.907 1.00 0.00 H +HETATM 1104 H8 UFX A 92 29.775 -3.071 14.265 1.00 0.00 H +HETATM 1105 C1 UFX A 93 19.590 -2.585 0.851 1.00 0.00 C +HETATM 1106 C2 UFX A 93 19.247 -1.706 2.035 1.00 0.00 C +HETATM 1107 C3 UFX A 93 20.307 -0.618 2.403 1.00 0.00 C +HETATM 1108 O1 UFX A 93 21.503 -1.195 2.833 1.00 0.00 O +HETATM 1109 H1 UFX A 93 19.716 -1.990 -0.054 1.00 0.00 H +HETATM 1110 H2 UFX A 93 20.530 -3.133 0.911 1.00 0.00 H +HETATM 1111 H3 UFX A 93 18.819 -3.285 0.527 1.00 0.00 H +HETATM 1112 H4 UFX A 93 18.378 -1.146 1.689 1.00 0.00 H +HETATM 1113 H5 UFX A 93 18.976 -2.286 2.917 1.00 0.00 H +HETATM 1114 H6 UFX A 93 19.878 -0.116 3.271 1.00 0.00 H +HETATM 1115 H7 UFX A 93 20.397 0.100 1.587 1.00 0.00 H +HETATM 1116 H8 UFX A 93 21.315 -1.883 3.507 1.00 0.00 H +HETATM 1117 C1 UFX A 94 21.511 18.770 24.695 1.00 0.00 C +HETATM 1118 C2 UFX A 94 21.071 17.393 24.214 1.00 0.00 C +HETATM 1119 C3 UFX A 94 20.178 17.570 23.013 1.00 0.00 C +HETATM 1120 O1 UFX A 94 18.993 18.265 23.474 1.00 0.00 O +HETATM 1121 H1 UFX A 94 21.827 18.682 25.735 1.00 0.00 H +HETATM 1122 H2 UFX A 94 22.263 19.168 24.013 1.00 0.00 H +HETATM 1123 H3 UFX A 94 20.667 19.458 24.748 1.00 0.00 H +HETATM 1124 H4 UFX A 94 21.946 16.820 23.908 1.00 0.00 H +HETATM 1125 H5 UFX A 94 20.562 16.923 25.056 1.00 0.00 H +HETATM 1126 H6 UFX A 94 19.932 16.698 22.408 1.00 0.00 H +HETATM 1127 H7 UFX A 94 20.732 18.058 22.211 1.00 0.00 H +HETATM 1128 H8 UFX A 94 18.441 17.708 24.063 1.00 0.00 H +HETATM 1129 C1 UFX A 95 2.864 4.196 -1.163 1.00 0.00 C +HETATM 1130 C2 UFX A 95 1.892 5.410 -0.678 1.00 0.00 C +HETATM 1131 C3 UFX A 95 1.725 6.450 -1.774 1.00 0.00 C +HETATM 1132 O1 UFX A 95 2.904 7.218 -1.899 1.00 0.00 O +HETATM 1133 H1 UFX A 95 3.911 4.496 -1.129 1.00 0.00 H +HETATM 1134 H2 UFX A 95 2.720 3.369 -0.468 1.00 0.00 H +HETATM 1135 H3 UFX A 95 2.623 3.898 -2.184 1.00 0.00 H +HETATM 1136 H4 UFX A 95 0.935 4.933 -0.463 1.00 0.00 H +HETATM 1137 H5 UFX A 95 2.274 5.839 0.248 1.00 0.00 H +HETATM 1138 H6 UFX A 95 0.870 7.100 -1.589 1.00 0.00 H +HETATM 1139 H7 UFX A 95 1.658 5.914 -2.721 1.00 0.00 H +HETATM 1140 H8 UFX A 95 3.434 7.200 -1.073 1.00 0.00 H +HETATM 1141 C1 UFX A 96 26.924 34.186 11.705 1.00 0.00 C +HETATM 1142 C2 UFX A 96 25.639 33.727 10.985 1.00 0.00 C +HETATM 1143 C3 UFX A 96 24.607 33.135 11.948 1.00 0.00 C +HETATM 1144 O1 UFX A 96 24.991 31.850 12.326 1.00 0.00 O +HETATM 1145 H1 UFX A 96 27.333 33.360 12.287 1.00 0.00 H +HETATM 1146 H2 UFX A 96 27.632 34.642 11.013 1.00 0.00 H +HETATM 1147 H3 UFX A 96 26.734 34.882 12.523 1.00 0.00 H +HETATM 1148 H4 UFX A 96 25.254 34.624 10.500 1.00 0.00 H +HETATM 1149 H5 UFX A 96 25.840 33.056 10.149 1.00 0.00 H +HETATM 1150 H6 UFX A 96 23.655 33.120 11.417 1.00 0.00 H +HETATM 1151 H7 UFX A 96 24.513 33.752 12.842 1.00 0.00 H +HETATM 1152 H8 UFX A 96 24.352 31.431 12.941 1.00 0.00 H +HETATM 1153 C1 UFX A 97 11.039 21.874 30.698 1.00 0.00 C +HETATM 1154 C2 UFX A 97 11.220 21.221 29.359 1.00 0.00 C +HETATM 1155 C3 UFX A 97 11.605 19.848 29.582 1.00 0.00 C +HETATM 1156 O1 UFX A 97 10.641 18.994 30.243 1.00 0.00 O +HETATM 1157 H1 UFX A 97 10.769 22.928 30.623 1.00 0.00 H +HETATM 1158 H2 UFX A 97 10.137 21.503 31.184 1.00 0.00 H +HETATM 1159 H3 UFX A 97 11.860 21.698 31.394 1.00 0.00 H +HETATM 1160 H4 UFX A 97 10.357 21.227 28.694 1.00 0.00 H +HETATM 1161 H5 UFX A 97 12.117 21.643 28.905 1.00 0.00 H +HETATM 1162 H6 UFX A 97 12.563 19.910 30.098 1.00 0.00 H +HETATM 1163 H7 UFX A 97 11.720 19.297 28.648 1.00 0.00 H +HETATM 1164 H8 UFX A 97 9.786 18.853 29.782 1.00 0.00 H +HETATM 1165 C1 UFX A 98 17.268 21.587 11.920 1.00 0.00 C +HETATM 1166 C2 UFX A 98 18.465 20.688 11.424 1.00 0.00 C +HETATM 1167 C3 UFX A 98 19.510 21.541 10.547 1.00 0.00 C +HETATM 1168 O1 UFX A 98 20.065 22.749 11.141 1.00 0.00 O +HETATM 1169 H1 UFX A 98 16.850 21.131 12.817 1.00 0.00 H +HETATM 1170 H2 UFX A 98 17.572 22.595 12.206 1.00 0.00 H +HETATM 1171 H3 UFX A 98 16.581 21.807 11.103 1.00 0.00 H +HETATM 1172 H4 UFX A 98 18.982 20.251 12.279 1.00 0.00 H +HETATM 1173 H5 UFX A 98 18.003 19.853 10.898 1.00 0.00 H +HETATM 1174 H6 UFX A 98 18.983 21.825 9.636 1.00 0.00 H +HETATM 1175 H7 UFX A 98 20.379 20.919 10.332 1.00 0.00 H +HETATM 1176 H8 UFX A 98 20.505 22.596 12.004 1.00 0.00 H +HETATM 1177 C1 UFX A 99 17.134 14.157 28.703 1.00 0.00 C +HETATM 1178 C2 UFX A 99 17.067 13.612 27.324 1.00 0.00 C +HETATM 1179 C3 UFX A 99 18.487 13.585 26.763 1.00 0.00 C +HETATM 1180 O1 UFX A 99 19.044 14.888 26.594 1.00 0.00 O +HETATM 1181 H1 UFX A 99 17.488 15.188 28.668 1.00 0.00 H +HETATM 1182 H2 UFX A 99 16.143 14.304 29.135 1.00 0.00 H +HETATM 1183 H3 UFX A 99 17.795 13.618 29.382 1.00 0.00 H +HETATM 1184 H4 UFX A 99 16.600 12.628 27.361 1.00 0.00 H +HETATM 1185 H5 UFX A 99 16.398 14.152 26.653 1.00 0.00 H +HETATM 1186 H6 UFX A 99 18.552 13.157 25.762 1.00 0.00 H +HETATM 1187 H7 UFX A 99 19.140 12.972 27.384 1.00 0.00 H +HETATM 1188 H8 UFX A 99 19.999 14.812 26.382 1.00 0.00 H +HETATM 1189 C1 UFX A 100 11.467 12.766 16.479 1.00 0.00 C +HETATM 1190 C2 UFX A 100 11.053 13.257 15.105 1.00 0.00 C +HETATM 1191 C3 UFX A 100 11.899 12.768 13.952 1.00 0.00 C +HETATM 1192 O1 UFX A 100 11.236 12.587 12.729 1.00 0.00 O +HETATM 1193 H1 UFX A 100 10.832 13.129 17.287 1.00 0.00 H +HETATM 1194 H2 UFX A 100 11.512 11.678 16.527 1.00 0.00 H +HETATM 1195 H3 UFX A 100 12.465 13.108 16.756 1.00 0.00 H +HETATM 1196 H4 UFX A 100 9.996 13.014 14.997 1.00 0.00 H +HETATM 1197 H5 UFX A 100 11.105 14.346 15.111 1.00 0.00 H +HETATM 1198 H6 UFX A 100 12.347 11.871 14.381 1.00 0.00 H +HETATM 1199 H7 UFX A 100 12.695 13.485 13.750 1.00 0.00 H +HETATM 1200 H8 UFX A 100 10.419 12.053 12.823 1.00 0.00 H +HETATM 1201 C1 UFX A 101 21.804 1.527 21.909 1.00 0.00 C +HETATM 1202 C2 UFX A 101 23.293 1.780 21.552 1.00 0.00 C +HETATM 1203 C3 UFX A 101 23.444 3.038 20.757 1.00 0.00 C +HETATM 1204 O1 UFX A 101 23.027 4.151 21.474 1.00 0.00 O +HETATM 1205 H1 UFX A 101 21.381 2.330 22.513 1.00 0.00 H +HETATM 1206 H2 UFX A 101 21.197 1.515 21.004 1.00 0.00 H +HETATM 1207 H3 UFX A 101 21.694 0.586 22.449 1.00 0.00 H +HETATM 1208 H4 UFX A 101 23.939 1.819 22.430 1.00 0.00 H +HETATM 1209 H5 UFX A 101 23.727 1.025 20.896 1.00 0.00 H +HETATM 1210 H6 UFX A 101 22.807 2.985 19.873 1.00 0.00 H +HETATM 1211 H7 UFX A 101 24.495 3.031 20.468 1.00 0.00 H +HETATM 1212 H8 UFX A 101 23.384 4.124 22.387 1.00 0.00 H +HETATM 1213 C1 UFX A 102 22.487 -0.137 9.390 1.00 0.00 C +HETATM 1214 C2 UFX A 102 21.194 -0.939 8.955 1.00 0.00 C +HETATM 1215 C3 UFX A 102 20.376 -1.536 10.091 1.00 0.00 C +HETATM 1216 O1 UFX A 102 20.017 -0.503 10.952 1.00 0.00 O +HETATM 1217 H1 UFX A 102 22.264 0.789 9.920 1.00 0.00 H +HETATM 1218 H2 UFX A 102 23.067 -0.649 10.158 1.00 0.00 H +HETATM 1219 H3 UFX A 102 23.143 0.014 8.532 1.00 0.00 H +HETATM 1220 H4 UFX A 102 20.501 -0.350 8.356 1.00 0.00 H +HETATM 1221 H5 UFX A 102 21.577 -1.759 8.348 1.00 0.00 H +HETATM 1222 H6 UFX A 102 21.027 -2.255 10.589 1.00 0.00 H +HETATM 1223 H7 UFX A 102 19.477 -2.056 9.762 1.00 0.00 H +HETATM 1224 H8 UFX A 102 19.438 0.131 10.477 1.00 0.00 H +HETATM 1225 C1 UFX A 103 26.235 5.637 24.530 1.00 0.00 C +HETATM 1226 C2 UFX A 103 25.874 4.457 25.451 1.00 0.00 C +HETATM 1227 C3 UFX A 103 25.023 3.460 24.634 1.00 0.00 C +HETATM 1228 O1 UFX A 103 23.887 4.034 24.100 1.00 0.00 O +HETATM 1229 H1 UFX A 103 26.947 6.277 25.051 1.00 0.00 H +HETATM 1230 H2 UFX A 103 26.784 5.292 23.654 1.00 0.00 H +HETATM 1231 H3 UFX A 103 25.297 6.124 24.262 1.00 0.00 H +HETATM 1232 H4 UFX A 103 26.732 3.999 25.944 1.00 0.00 H +HETATM 1233 H5 UFX A 103 25.266 5.006 26.170 1.00 0.00 H +HETATM 1234 H6 UFX A 103 24.670 2.646 25.267 1.00 0.00 H +HETATM 1235 H7 UFX A 103 25.602 3.046 23.809 1.00 0.00 H +HETATM 1236 H8 UFX A 103 23.325 4.413 24.810 1.00 0.00 H +HETATM 1237 C1 UFX A 104 18.974 11.350 11.952 1.00 0.00 C +HETATM 1238 C2 UFX A 104 18.741 9.848 11.667 1.00 0.00 C +HETATM 1239 C3 UFX A 104 19.399 9.337 10.371 1.00 0.00 C +HETATM 1240 O1 UFX A 104 18.800 10.006 9.299 1.00 0.00 O +HETATM 1241 H1 UFX A 104 19.928 11.454 12.470 1.00 0.00 H +HETATM 1242 H2 UFX A 104 19.162 11.963 11.070 1.00 0.00 H +HETATM 1243 H3 UFX A 104 18.282 11.856 12.626 1.00 0.00 H +HETATM 1244 H4 UFX A 104 19.078 9.298 12.545 1.00 0.00 H +HETATM 1245 H5 UFX A 104 17.692 9.605 11.496 1.00 0.00 H +HETATM 1246 H6 UFX A 104 19.306 8.275 10.142 1.00 0.00 H +HETATM 1247 H7 UFX A 104 20.443 9.648 10.320 1.00 0.00 H +HETATM 1248 H8 UFX A 104 19.458 10.086 8.576 1.00 0.00 H +HETATM 1249 C1 UFX A 105 7.031 8.064 23.994 1.00 0.00 C +HETATM 1250 C2 UFX A 105 7.099 9.537 23.754 1.00 0.00 C +HETATM 1251 C3 UFX A 105 5.854 10.312 24.364 1.00 0.00 C +HETATM 1252 O1 UFX A 105 6.198 11.716 24.256 1.00 0.00 O +HETATM 1253 H1 UFX A 105 7.171 7.849 25.054 1.00 0.00 H +HETATM 1254 H2 UFX A 105 6.087 7.612 23.690 1.00 0.00 H +HETATM 1255 H3 UFX A 105 7.808 7.538 23.438 1.00 0.00 H +HETATM 1256 H4 UFX A 105 7.957 9.884 24.331 1.00 0.00 H +HETATM 1257 H5 UFX A 105 7.132 9.768 22.689 1.00 0.00 H +HETATM 1258 H6 UFX A 105 5.654 10.196 25.429 1.00 0.00 H +HETATM 1259 H7 UFX A 105 4.900 10.214 23.844 1.00 0.00 H +HETATM 1260 H8 UFX A 105 5.616 12.350 24.728 1.00 0.00 H +HETATM 1261 C1 UFX A 106 2.584 23.718 30.453 1.00 0.00 C +HETATM 1262 C2 UFX A 106 2.354 22.436 31.278 1.00 0.00 C +HETATM 1263 C3 UFX A 106 2.069 22.648 32.736 1.00 0.00 C +HETATM 1264 O1 UFX A 106 3.114 23.373 33.275 1.00 0.00 O +HETATM 1265 H1 UFX A 106 2.935 23.440 29.459 1.00 0.00 H +HETATM 1266 H2 UFX A 106 1.622 24.176 30.221 1.00 0.00 H +HETATM 1267 H3 UFX A 106 3.268 24.443 30.896 1.00 0.00 H +HETATM 1268 H4 UFX A 106 1.546 21.842 30.851 1.00 0.00 H +HETATM 1269 H5 UFX A 106 3.262 21.834 31.329 1.00 0.00 H +HETATM 1270 H6 UFX A 106 1.979 21.700 33.267 1.00 0.00 H +HETATM 1271 H7 UFX A 106 1.057 23.029 32.876 1.00 0.00 H +HETATM 1272 H8 UFX A 106 3.137 24.294 32.935 1.00 0.00 H +HETATM 1273 C1 UFX A 107 1.511 25.310 11.959 1.00 0.00 C +HETATM 1274 C2 UFX A 107 1.166 25.698 13.358 1.00 0.00 C +HETATM 1275 C3 UFX A 107 2.292 25.424 14.383 1.00 0.00 C +HETATM 1276 O1 UFX A 107 1.751 25.883 15.695 1.00 0.00 O +HETATM 1277 H1 UFX A 107 2.410 25.824 11.618 1.00 0.00 H +HETATM 1278 H2 UFX A 107 1.683 24.234 11.932 1.00 0.00 H +HETATM 1279 H3 UFX A 107 0.714 25.518 11.244 1.00 0.00 H +HETATM 1280 H4 UFX A 107 0.779 26.716 13.406 1.00 0.00 H +HETATM 1281 H5 UFX A 107 0.319 25.068 13.632 1.00 0.00 H +HETATM 1282 H6 UFX A 107 3.241 25.929 14.204 1.00 0.00 H +HETATM 1283 H7 UFX A 107 2.712 24.418 14.408 1.00 0.00 H +HETATM 1284 H8 UFX A 107 1.533 26.840 15.693 1.00 0.00 H +HETATM 1285 C1 UFX A 108 26.165 -2.155 8.098 1.00 0.00 C +HETATM 1286 C2 UFX A 108 26.574 -1.887 9.522 1.00 0.00 C +HETATM 1287 C3 UFX A 108 25.710 -2.597 10.633 1.00 0.00 C +HETATM 1288 O1 UFX A 108 26.387 -2.333 11.864 1.00 0.00 O +HETATM 1289 H1 UFX A 108 26.870 -1.619 7.463 1.00 0.00 H +HETATM 1290 H2 UFX A 108 26.258 -3.211 7.842 1.00 0.00 H +HETATM 1291 H3 UFX A 108 25.164 -1.773 7.894 1.00 0.00 H +HETATM 1292 H4 UFX A 108 27.587 -2.262 9.670 1.00 0.00 H +HETATM 1293 H5 UFX A 108 26.570 -0.818 9.736 1.00 0.00 H +HETATM 1294 H6 UFX A 108 25.648 -3.659 10.396 1.00 0.00 H +HETATM 1295 H7 UFX A 108 24.697 -2.195 10.652 1.00 0.00 H +HETATM 1296 H8 UFX A 108 26.116 -1.472 12.248 1.00 0.00 H +HETATM 1297 C1 UFX A 109 15.088 32.787 14.372 1.00 0.00 C +HETATM 1298 C2 UFX A 109 15.594 32.110 15.670 1.00 0.00 C +HETATM 1299 C3 UFX A 109 15.292 30.563 15.677 1.00 0.00 C +HETATM 1300 O1 UFX A 109 15.479 29.965 16.961 1.00 0.00 O +HETATM 1301 H1 UFX A 109 15.334 32.287 13.435 1.00 0.00 H +HETATM 1302 H2 UFX A 109 13.998 32.810 14.347 1.00 0.00 H +HETATM 1303 H3 UFX A 109 15.517 33.784 14.266 1.00 0.00 H +HETATM 1304 H4 UFX A 109 16.660 32.296 15.798 1.00 0.00 H +HETATM 1305 H5 UFX A 109 15.025 32.580 16.473 1.00 0.00 H +HETATM 1306 H6 UFX A 109 16.037 30.214 14.962 1.00 0.00 H +HETATM 1307 H7 UFX A 109 14.271 30.362 15.352 1.00 0.00 H +HETATM 1308 H8 UFX A 109 15.329 28.998 16.887 1.00 0.00 H +HETATM 1309 C1 UFX A 110 20.705 9.005 5.023 1.00 0.00 C +HETATM 1310 C2 UFX A 110 20.961 8.541 6.459 1.00 0.00 C +HETATM 1311 C3 UFX A 110 21.639 9.603 7.362 1.00 0.00 C +HETATM 1312 O1 UFX A 110 20.742 10.644 7.610 1.00 0.00 O +HETATM 1313 H1 UFX A 110 21.585 9.282 4.442 1.00 0.00 H +HETATM 1314 H2 UFX A 110 20.335 8.191 4.400 1.00 0.00 H +HETATM 1315 H3 UFX A 110 20.082 9.896 4.945 1.00 0.00 H +HETATM 1316 H4 UFX A 110 20.073 8.259 7.024 1.00 0.00 H +HETATM 1317 H5 UFX A 110 21.536 7.616 6.436 1.00 0.00 H +HETATM 1318 H6 UFX A 110 22.620 9.854 6.957 1.00 0.00 H +HETATM 1319 H7 UFX A 110 21.839 9.071 8.292 1.00 0.00 H +HETATM 1320 H8 UFX A 110 21.142 11.388 8.108 1.00 0.00 H +HETATM 1321 C1 UFX A 111 24.100 18.104 19.790 1.00 0.00 C +HETATM 1322 C2 UFX A 111 23.420 18.277 18.445 1.00 0.00 C +HETATM 1323 C3 UFX A 111 23.954 17.147 17.504 1.00 0.00 C +HETATM 1324 O1 UFX A 111 23.759 15.818 17.948 1.00 0.00 O +HETATM 1325 H1 UFX A 111 25.168 18.324 19.757 1.00 0.00 H +HETATM 1326 H2 UFX A 111 23.745 18.826 20.526 1.00 0.00 H +HETATM 1327 H3 UFX A 111 23.984 17.058 20.073 1.00 0.00 H +HETATM 1328 H4 UFX A 111 22.345 18.190 18.608 1.00 0.00 H +HETATM 1329 H5 UFX A 111 23.767 19.251 18.100 1.00 0.00 H +HETATM 1330 H6 UFX A 111 25.019 17.306 17.334 1.00 0.00 H +HETATM 1331 H7 UFX A 111 23.509 17.272 16.517 1.00 0.00 H +HETATM 1332 H8 UFX A 111 24.304 15.141 17.494 1.00 0.00 H +HETATM 1333 C1 UFX A 112 22.754 3.702 5.620 1.00 0.00 C +HETATM 1334 C2 UFX A 112 21.845 2.732 6.379 1.00 0.00 C +HETATM 1335 C3 UFX A 112 20.506 2.521 5.800 1.00 0.00 C +HETATM 1336 O1 UFX A 112 19.908 1.459 6.538 1.00 0.00 O +HETATM 1337 H1 UFX A 112 22.808 3.326 4.598 1.00 0.00 H +HETATM 1338 H2 UFX A 112 22.137 4.596 5.524 1.00 0.00 H +HETATM 1339 H3 UFX A 112 23.690 4.023 6.077 1.00 0.00 H +HETATM 1340 H4 UFX A 112 22.326 1.762 6.257 1.00 0.00 H +HETATM 1341 H5 UFX A 112 21.728 3.166 7.372 1.00 0.00 H +HETATM 1342 H6 UFX A 112 20.634 2.131 4.790 1.00 0.00 H +HETATM 1343 H7 UFX A 112 19.883 3.412 5.715 1.00 0.00 H +HETATM 1344 H8 UFX A 112 19.998 1.613 7.503 1.00 0.00 H +HETATM 1345 C1 UFX A 113 17.030 25.900 34.292 1.00 0.00 C +HETATM 1346 C2 UFX A 113 16.453 25.337 35.629 1.00 0.00 C +HETATM 1347 C3 UFX A 113 14.852 25.207 35.480 1.00 0.00 C +HETATM 1348 O1 UFX A 113 14.378 24.270 34.572 1.00 0.00 O +HETATM 1349 H1 UFX A 113 18.061 26.232 34.419 1.00 0.00 H +HETATM 1350 H2 UFX A 113 17.106 25.187 33.471 1.00 0.00 H +HETATM 1351 H3 UFX A 113 16.399 26.704 33.915 1.00 0.00 H +HETATM 1352 H4 UFX A 113 16.871 24.361 35.872 1.00 0.00 H +HETATM 1353 H5 UFX A 113 16.739 26.018 36.432 1.00 0.00 H +HETATM 1354 H6 UFX A 113 14.429 26.130 35.081 1.00 0.00 H +HETATM 1355 H7 UFX A 113 14.527 24.955 36.490 1.00 0.00 H +HETATM 1356 H8 UFX A 113 14.906 23.445 34.625 1.00 0.00 H +HETATM 1357 C1 UFX A 114 19.124 13.494 15.849 1.00 0.00 C +HETATM 1358 C2 UFX A 114 19.457 14.878 16.340 1.00 0.00 C +HETATM 1359 C3 UFX A 114 20.836 14.905 16.870 1.00 0.00 C +HETATM 1360 O1 UFX A 114 21.075 16.091 17.458 1.00 0.00 O +HETATM 1361 H1 UFX A 114 18.825 12.867 16.689 1.00 0.00 H +HETATM 1362 H2 UFX A 114 18.261 13.577 15.188 1.00 0.00 H +HETATM 1363 H3 UFX A 114 19.973 13.088 15.299 1.00 0.00 H +HETATM 1364 H4 UFX A 114 19.331 15.595 15.529 1.00 0.00 H +HETATM 1365 H5 UFX A 114 18.754 15.360 17.020 1.00 0.00 H +HETATM 1366 H6 UFX A 114 21.556 14.866 16.052 1.00 0.00 H +HETATM 1367 H7 UFX A 114 21.085 14.105 17.567 1.00 0.00 H +HETATM 1368 H8 UFX A 114 21.902 16.035 17.983 1.00 0.00 H +HETATM 1369 C1 UFX A 115 21.512 27.301 15.113 1.00 0.00 C +HETATM 1370 C2 UFX A 115 21.602 28.868 15.058 1.00 0.00 C +HETATM 1371 C3 UFX A 115 22.861 29.310 14.536 1.00 0.00 C +HETATM 1372 O1 UFX A 115 23.035 30.675 14.335 1.00 0.00 O +HETATM 1373 H1 UFX A 115 22.461 26.797 15.297 1.00 0.00 H +HETATM 1374 H2 UFX A 115 20.737 27.036 15.832 1.00 0.00 H +HETATM 1375 H3 UFX A 115 21.163 26.917 14.155 1.00 0.00 H +HETATM 1376 H4 UFX A 115 20.828 29.232 14.382 1.00 0.00 H +HETATM 1377 H5 UFX A 115 21.533 29.232 16.083 1.00 0.00 H +HETATM 1378 H6 UFX A 115 22.912 28.853 13.547 1.00 0.00 H +HETATM 1379 H7 UFX A 115 23.673 28.907 15.141 1.00 0.00 H +HETATM 1380 H8 UFX A 115 22.227 31.121 14.002 1.00 0.00 H +HETATM 1381 C1 UFX A 116 1.378 0.431 31.061 1.00 0.00 C +HETATM 1382 C2 UFX A 116 1.538 -0.139 29.647 1.00 0.00 C +HETATM 1383 C3 UFX A 116 2.978 -0.447 29.412 1.00 0.00 C +HETATM 1384 O1 UFX A 116 3.217 -1.155 28.194 1.00 0.00 O +HETATM 1385 H1 UFX A 116 1.549 -0.348 31.805 1.00 0.00 H +HETATM 1386 H2 UFX A 116 1.966 1.317 31.302 1.00 0.00 H +HETATM 1387 H3 UFX A 116 0.305 0.559 31.202 1.00 0.00 H +HETATM 1388 H4 UFX A 116 0.998 -1.082 29.558 1.00 0.00 H +HETATM 1389 H5 UFX A 116 1.244 0.562 28.866 1.00 0.00 H +HETATM 1390 H6 UFX A 116 3.346 -1.119 30.187 1.00 0.00 H +HETATM 1391 H7 UFX A 116 3.505 0.505 29.347 1.00 0.00 H +HETATM 1392 H8 UFX A 116 4.001 -1.745 28.216 1.00 0.00 H +HETATM 1393 C1 UFX A 117 30.574 16.091 -0.199 1.00 0.00 C +HETATM 1394 C2 UFX A 117 31.285 16.255 -1.592 1.00 0.00 C +HETATM 1395 C3 UFX A 117 30.331 15.938 -2.722 1.00 0.00 C +HETATM 1396 O1 UFX A 117 29.795 14.686 -2.712 1.00 0.00 O +HETATM 1397 H1 UFX A 117 30.406 15.044 0.054 1.00 0.00 H +HETATM 1398 H2 UFX A 117 31.175 16.319 0.681 1.00 0.00 H +HETATM 1399 H3 UFX A 117 29.593 16.565 -0.155 1.00 0.00 H +HETATM 1400 H4 UFX A 117 31.649 17.279 -1.671 1.00 0.00 H +HETATM 1401 H5 UFX A 117 32.096 15.527 -1.615 1.00 0.00 H +HETATM 1402 H6 UFX A 117 30.933 15.954 -3.630 1.00 0.00 H +HETATM 1403 H7 UFX A 117 29.643 16.757 -2.936 1.00 0.00 H +HETATM 1404 H8 UFX A 117 29.190 14.464 -1.972 1.00 0.00 H +HETATM 1405 C1 UFX A 118 33.838 3.812 14.099 1.00 0.00 C +HETATM 1406 C2 UFX A 118 34.138 2.357 14.072 1.00 0.00 C +HETATM 1407 C3 UFX A 118 32.763 1.607 14.040 1.00 0.00 C +HETATM 1408 O1 UFX A 118 31.990 1.797 15.176 1.00 0.00 O +HETATM 1409 H1 UFX A 118 33.397 4.083 15.059 1.00 0.00 H +HETATM 1410 H2 UFX A 118 34.806 4.312 14.083 1.00 0.00 H +HETATM 1411 H3 UFX A 118 33.113 4.130 13.349 1.00 0.00 H +HETATM 1412 H4 UFX A 118 34.727 2.138 13.180 1.00 0.00 H +HETATM 1413 H5 UFX A 118 34.751 1.937 14.869 1.00 0.00 H +HETATM 1414 H6 UFX A 118 32.833 0.537 13.842 1.00 0.00 H +HETATM 1415 H7 UFX A 118 32.173 2.031 13.227 1.00 0.00 H +HETATM 1416 H8 UFX A 118 31.507 2.651 15.214 1.00 0.00 H +HETATM 1417 C1 UFX A 119 20.241 25.123 29.466 1.00 0.00 C +HETATM 1418 C2 UFX A 119 20.217 26.601 29.777 1.00 0.00 C +HETATM 1419 C3 UFX A 119 20.685 27.421 28.565 1.00 0.00 C +HETATM 1420 O1 UFX A 119 20.537 28.870 28.840 1.00 0.00 O +HETATM 1421 H1 UFX A 119 19.698 24.965 28.534 1.00 0.00 H +HETATM 1422 H2 UFX A 119 21.258 24.879 29.161 1.00 0.00 H +HETATM 1423 H3 UFX A 119 19.832 24.434 30.206 1.00 0.00 H +HETATM 1424 H4 UFX A 119 19.271 26.973 30.170 1.00 0.00 H +HETATM 1425 H5 UFX A 119 20.915 26.806 30.589 1.00 0.00 H +HETATM 1426 H6 UFX A 119 20.081 27.139 27.703 1.00 0.00 H +HETATM 1427 H7 UFX A 119 21.690 27.060 28.352 1.00 0.00 H +HETATM 1428 H8 UFX A 119 20.990 29.186 29.650 1.00 0.00 H +HETATM 1429 C1 UFX A 120 22.201 5.201 2.106 1.00 0.00 C +HETATM 1430 C2 UFX A 120 23.550 5.792 2.458 1.00 0.00 C +HETATM 1431 C3 UFX A 120 24.617 5.233 1.569 1.00 0.00 C +HETATM 1432 O1 UFX A 120 25.814 5.738 2.039 1.00 0.00 O +HETATM 1433 H1 UFX A 120 21.986 5.339 1.046 1.00 0.00 H +HETATM 1434 H2 UFX A 120 22.297 4.121 2.224 1.00 0.00 H +HETATM 1435 H3 UFX A 120 21.431 5.774 2.623 1.00 0.00 H +HETATM 1436 H4 UFX A 120 23.518 6.868 2.284 1.00 0.00 H +HETATM 1437 H5 UFX A 120 23.701 5.595 3.520 1.00 0.00 H +HETATM 1438 H6 UFX A 120 24.498 5.477 0.513 1.00 0.00 H +HETATM 1439 H7 UFX A 120 24.689 4.147 1.624 1.00 0.00 H +HETATM 1440 H8 UFX A 120 26.583 5.472 1.491 1.00 0.00 H +HETATM 1441 C1 UFX A 121 17.100 11.447 23.625 1.00 0.00 C +HETATM 1442 C2 UFX A 121 16.933 10.235 22.770 1.00 0.00 C +HETATM 1443 C3 UFX A 121 15.628 9.523 23.244 1.00 0.00 C +HETATM 1444 O1 UFX A 121 14.478 10.187 22.804 1.00 0.00 O +HETATM 1445 H1 UFX A 121 18.143 11.741 23.511 1.00 0.00 H +HETATM 1446 H2 UFX A 121 16.371 12.232 23.426 1.00 0.00 H +HETATM 1447 H3 UFX A 121 17.048 11.196 24.685 1.00 0.00 H +HETATM 1448 H4 UFX A 121 16.893 10.477 21.708 1.00 0.00 H +HETATM 1449 H5 UFX A 121 17.764 9.533 22.843 1.00 0.00 H +HETATM 1450 H6 UFX A 121 15.664 9.353 24.320 1.00 0.00 H +HETATM 1451 H7 UFX A 121 15.614 8.584 22.690 1.00 0.00 H +HETATM 1452 H8 UFX A 121 14.375 10.260 21.831 1.00 0.00 H +HETATM 1453 C1 UFX A 122 18.436 7.550 16.894 1.00 0.00 C +HETATM 1454 C2 UFX A 122 18.021 9.037 17.039 1.00 0.00 C +HETATM 1455 C3 UFX A 122 17.804 9.363 18.526 1.00 0.00 C +HETATM 1456 O1 UFX A 122 16.571 8.696 18.885 1.00 0.00 O +HETATM 1457 H1 UFX A 122 18.211 7.210 15.882 1.00 0.00 H +HETATM 1458 H2 UFX A 122 19.484 7.383 17.140 1.00 0.00 H +HETATM 1459 H3 UFX A 122 17.834 6.857 17.481 1.00 0.00 H +HETATM 1460 H4 UFX A 122 18.894 9.554 16.640 1.00 0.00 H +HETATM 1461 H5 UFX A 122 17.203 9.265 16.355 1.00 0.00 H +HETATM 1462 H6 UFX A 122 17.789 10.440 18.696 1.00 0.00 H +HETATM 1463 H7 UFX A 122 18.632 8.880 19.047 1.00 0.00 H +HETATM 1464 H8 UFX A 122 16.740 7.730 18.912 1.00 0.00 H +HETATM 1465 C1 UFX A 123 25.361 0.898 5.545 1.00 0.00 C +HETATM 1466 C2 UFX A 123 26.000 0.215 4.336 1.00 0.00 C +HETATM 1467 C3 UFX A 123 25.224 0.742 3.067 1.00 0.00 C +HETATM 1468 O1 UFX A 123 25.868 0.510 1.846 1.00 0.00 O +HETATM 1469 H1 UFX A 123 25.573 0.365 6.473 1.00 0.00 H +HETATM 1470 H2 UFX A 123 25.651 1.932 5.731 1.00 0.00 H +HETATM 1471 H3 UFX A 123 24.297 0.762 5.347 1.00 0.00 H +HETATM 1472 H4 UFX A 123 27.073 0.374 4.221 1.00 0.00 H +HETATM 1473 H5 UFX A 123 25.851 -0.855 4.485 1.00 0.00 H +HETATM 1474 H6 UFX A 123 25.102 1.816 3.207 1.00 0.00 H +HETATM 1475 H7 UFX A 123 24.253 0.258 2.966 1.00 0.00 H +HETATM 1476 H8 UFX A 123 25.343 0.907 1.118 1.00 0.00 H +HETATM 1477 C1 UFX A 124 16.560 13.337 19.982 1.00 0.00 C +HETATM 1478 C2 UFX A 124 18.101 12.951 20.077 1.00 0.00 C +HETATM 1479 C3 UFX A 124 18.950 14.202 20.643 1.00 0.00 C +HETATM 1480 O1 UFX A 124 18.607 14.289 22.059 1.00 0.00 O +HETATM 1481 H1 UFX A 124 16.007 12.851 19.177 1.00 0.00 H +HETATM 1482 H2 UFX A 124 16.021 13.154 20.912 1.00 0.00 H +HETATM 1483 H3 UFX A 124 16.418 14.360 19.635 1.00 0.00 H +HETATM 1484 H4 UFX A 124 18.292 12.139 20.779 1.00 0.00 H +HETATM 1485 H5 UFX A 124 18.444 12.700 19.073 1.00 0.00 H +HETATM 1486 H6 UFX A 124 18.896 15.051 19.961 1.00 0.00 H +HETATM 1487 H7 UFX A 124 20.009 13.944 20.622 1.00 0.00 H +HETATM 1488 H8 UFX A 124 17.805 14.837 22.200 1.00 0.00 H +HETATM 1489 C1 UFX A 125 23.625 10.434 19.291 1.00 0.00 C +HETATM 1490 C2 UFX A 125 23.041 11.336 18.176 1.00 0.00 C +HETATM 1491 C3 UFX A 125 21.480 11.100 18.184 1.00 0.00 C +HETATM 1492 O1 UFX A 125 21.066 9.721 18.038 1.00 0.00 O +HETATM 1493 H1 UFX A 125 23.187 10.554 20.282 1.00 0.00 H +HETATM 1494 H2 UFX A 125 23.780 9.399 18.986 1.00 0.00 H +HETATM 1495 H3 UFX A 125 24.609 10.850 19.508 1.00 0.00 H +HETATM 1496 H4 UFX A 125 23.215 12.386 18.415 1.00 0.00 H +HETATM 1497 H5 UFX A 125 23.404 11.131 17.168 1.00 0.00 H +HETATM 1498 H6 UFX A 125 21.114 11.751 17.390 1.00 0.00 H +HETATM 1499 H7 UFX A 125 21.121 11.405 19.167 1.00 0.00 H +HETATM 1500 H8 UFX A 125 21.281 9.183 18.830 1.00 0.00 H +HETATM 1501 C1 UFX A 126 10.663 7.398 23.512 1.00 0.00 C +HETATM 1502 C2 UFX A 126 12.008 8.115 23.758 1.00 0.00 C +HETATM 1503 C3 UFX A 126 11.679 9.267 24.786 1.00 0.00 C +HETATM 1504 O1 UFX A 126 12.861 9.854 25.221 1.00 0.00 O +HETATM 1505 H1 UFX A 126 10.370 6.819 24.388 1.00 0.00 H +HETATM 1506 H2 UFX A 126 9.931 8.149 23.212 1.00 0.00 H +HETATM 1507 H3 UFX A 126 10.874 6.649 22.749 1.00 0.00 H +HETATM 1508 H4 UFX A 126 12.671 7.437 24.296 1.00 0.00 H +HETATM 1509 H5 UFX A 126 12.438 8.647 22.909 1.00 0.00 H +HETATM 1510 H6 UFX A 126 11.150 8.932 25.678 1.00 0.00 H +HETATM 1511 H7 UFX A 126 11.170 10.029 24.196 1.00 0.00 H +HETATM 1512 H8 UFX A 126 13.442 10.052 24.456 1.00 0.00 H +HETATM 1513 C1 UFX A 127 3.482 7.583 25.201 1.00 0.00 C +HETATM 1514 C2 UFX A 127 2.310 7.257 26.155 1.00 0.00 C +HETATM 1515 C3 UFX A 127 1.624 8.502 26.792 1.00 0.00 C +HETATM 1516 O1 UFX A 127 2.585 9.046 27.648 1.00 0.00 O +HETATM 1517 H1 UFX A 127 3.050 8.045 24.313 1.00 0.00 H +HETATM 1518 H2 UFX A 127 4.187 8.331 25.562 1.00 0.00 H +HETATM 1519 H3 UFX A 127 4.041 6.709 24.865 1.00 0.00 H +HETATM 1520 H4 UFX A 127 1.550 6.675 25.633 1.00 0.00 H +HETATM 1521 H5 UFX A 127 2.641 6.555 26.920 1.00 0.00 H +HETATM 1522 H6 UFX A 127 0.761 8.102 27.325 1.00 0.00 H +HETATM 1523 H7 UFX A 127 1.125 9.200 26.120 1.00 0.00 H +HETATM 1524 H8 UFX A 127 2.975 8.430 28.304 1.00 0.00 H +HETATM 1525 C1 UFX A 128 8.788 9.836 14.145 1.00 0.00 C +HETATM 1526 C2 UFX A 128 7.471 9.661 14.942 1.00 0.00 C +HETATM 1527 C3 UFX A 128 6.417 8.753 14.205 1.00 0.00 C +HETATM 1528 O1 UFX A 128 6.900 7.509 13.902 1.00 0.00 O +HETATM 1529 H1 UFX A 128 8.547 10.211 13.150 1.00 0.00 H +HETATM 1530 H2 UFX A 128 9.398 10.584 14.652 1.00 0.00 H +HETATM 1531 H3 UFX A 128 9.246 8.847 14.145 1.00 0.00 H +HETATM 1532 H4 UFX A 128 7.713 9.267 15.929 1.00 0.00 H +HETATM 1533 H5 UFX A 128 7.137 10.650 15.256 1.00 0.00 H +HETATM 1534 H6 UFX A 128 6.254 9.283 13.266 1.00 0.00 H +HETATM 1535 H7 UFX A 128 5.517 8.620 14.805 1.00 0.00 H +HETATM 1536 H8 UFX A 128 7.051 7.022 14.740 1.00 0.00 H +HETATM 1537 C1 UFX A 129 10.268 -2.881 30.339 1.00 0.00 C +HETATM 1538 C2 UFX A 129 9.476 -1.797 31.187 1.00 0.00 C +HETATM 1539 C3 UFX A 129 7.930 -2.030 30.841 1.00 0.00 C +HETATM 1540 O1 UFX A 129 7.698 -1.657 29.443 1.00 0.00 O +HETATM 1541 H1 UFX A 129 9.983 -2.770 29.292 1.00 0.00 H +HETATM 1542 H2 UFX A 129 11.354 -2.794 30.346 1.00 0.00 H +HETATM 1543 H3 UFX A 129 9.993 -3.871 30.703 1.00 0.00 H +HETATM 1544 H4 UFX A 129 9.728 -1.897 32.243 1.00 0.00 H +HETATM 1545 H5 UFX A 129 9.708 -0.779 30.871 1.00 0.00 H +HETATM 1546 H6 UFX A 129 7.327 -1.370 31.464 1.00 0.00 H +HETATM 1547 H7 UFX A 129 7.548 -3.042 30.976 1.00 0.00 H +HETATM 1548 H8 UFX A 129 8.142 -0.804 29.251 1.00 0.00 H +HETATM 1549 C1 UFX A 130 25.056 16.111 4.415 1.00 0.00 C +HETATM 1550 C2 UFX A 130 24.294 17.515 4.220 1.00 0.00 C +HETATM 1551 C3 UFX A 130 22.738 17.348 4.443 1.00 0.00 C +HETATM 1552 O1 UFX A 130 22.213 16.397 3.496 1.00 0.00 O +HETATM 1553 H1 UFX A 130 24.901 15.738 5.427 1.00 0.00 H +HETATM 1554 H2 UFX A 130 24.502 15.331 3.891 1.00 0.00 H +HETATM 1555 H3 UFX A 130 26.113 16.176 4.158 1.00 0.00 H +HETATM 1556 H4 UFX A 130 24.589 18.224 4.993 1.00 0.00 H +HETATM 1557 H5 UFX A 130 24.555 17.891 3.231 1.00 0.00 H +HETATM 1558 H6 UFX A 130 22.242 18.299 4.247 1.00 0.00 H +HETATM 1559 H7 UFX A 130 22.528 17.084 5.480 1.00 0.00 H +HETATM 1560 H8 UFX A 130 21.272 16.276 3.744 1.00 0.00 H +HETATM 1561 C1 UFX A 131 13.468 17.314 20.956 1.00 0.00 C +HETATM 1562 C2 UFX A 131 14.276 16.635 22.073 1.00 0.00 C +HETATM 1563 C3 UFX A 131 15.732 16.672 21.783 1.00 0.00 C +HETATM 1564 O1 UFX A 131 16.411 15.877 22.708 1.00 0.00 O +HETATM 1565 H1 UFX A 131 12.419 17.378 21.244 1.00 0.00 H +HETATM 1566 H2 UFX A 131 13.931 18.282 20.764 1.00 0.00 H +HETATM 1567 H3 UFX A 131 13.538 16.725 20.041 1.00 0.00 H +HETATM 1568 H4 UFX A 131 14.150 17.047 23.075 1.00 0.00 H +HETATM 1569 H5 UFX A 131 13.961 15.606 22.244 1.00 0.00 H +HETATM 1570 H6 UFX A 131 16.156 17.667 21.643 1.00 0.00 H +HETATM 1571 H7 UFX A 131 15.836 16.238 20.789 1.00 0.00 H +HETATM 1572 H8 UFX A 131 16.481 16.143 23.650 1.00 0.00 H +HETATM 1573 C1 UFX A 132 13.853 7.001 17.023 1.00 0.00 C +HETATM 1574 C2 UFX A 132 15.093 6.129 16.728 1.00 0.00 C +HETATM 1575 C3 UFX A 132 14.689 4.855 16.017 1.00 0.00 C +HETATM 1576 O1 UFX A 132 13.648 4.160 16.732 1.00 0.00 O +HETATM 1577 H1 UFX A 132 14.151 7.998 17.345 1.00 0.00 H +HETATM 1578 H2 UFX A 132 13.178 7.069 16.169 1.00 0.00 H +HETATM 1579 H3 UFX A 132 13.223 6.589 17.811 1.00 0.00 H +HETATM 1580 H4 UFX A 132 15.779 6.769 16.172 1.00 0.00 H +HETATM 1581 H5 UFX A 132 15.597 5.799 17.636 1.00 0.00 H +HETATM 1582 H6 UFX A 132 15.519 4.152 16.091 1.00 0.00 H +HETATM 1583 H7 UFX A 132 14.373 4.983 14.981 1.00 0.00 H +HETATM 1584 H8 UFX A 132 13.856 4.077 17.687 1.00 0.00 H +HETATM 1585 C1 UFX A 133 0.901 10.364 22.864 1.00 0.00 C +HETATM 1586 C2 UFX A 133 -0.429 11.165 22.562 1.00 0.00 C +HETATM 1587 C3 UFX A 133 -0.499 12.284 23.568 1.00 0.00 C +HETATM 1588 O1 UFX A 133 -0.914 11.819 24.859 1.00 0.00 O +HETATM 1589 H1 UFX A 133 0.920 9.481 22.224 1.00 0.00 H +HETATM 1590 H2 UFX A 133 1.874 10.805 22.647 1.00 0.00 H +HETATM 1591 H3 UFX A 133 0.823 9.903 23.849 1.00 0.00 H +HETATM 1592 H4 UFX A 133 -0.324 11.625 21.579 1.00 0.00 H +HETATM 1593 H5 UFX A 133 -1.287 10.494 22.553 1.00 0.00 H +HETATM 1594 H6 UFX A 133 -1.255 12.987 23.218 1.00 0.00 H +HETATM 1595 H7 UFX A 133 0.474 12.758 23.699 1.00 0.00 H +HETATM 1596 H8 UFX A 133 -1.378 12.541 25.333 1.00 0.00 H +HETATM 1597 C1 UFX A 134 5.283 1.047 7.710 1.00 0.00 C +HETATM 1598 C2 UFX A 134 3.917 1.429 7.296 1.00 0.00 C +HETATM 1599 C3 UFX A 134 2.734 0.487 7.629 1.00 0.00 C +HETATM 1600 O1 UFX A 134 1.532 0.794 6.940 1.00 0.00 O +HETATM 1601 H1 UFX A 134 5.223 1.047 8.798 1.00 0.00 H +HETATM 1602 H2 UFX A 134 5.582 0.093 7.275 1.00 0.00 H +HETATM 1603 H3 UFX A 134 5.927 1.869 7.396 1.00 0.00 H +HETATM 1604 H4 UFX A 134 3.752 2.364 7.832 1.00 0.00 H +HETATM 1605 H5 UFX A 134 3.940 1.691 6.238 1.00 0.00 H +HETATM 1606 H6 UFX A 134 2.617 0.374 8.706 1.00 0.00 H +HETATM 1607 H7 UFX A 134 2.958 -0.535 7.321 1.00 0.00 H +HETATM 1608 H8 UFX A 134 1.145 1.584 7.374 1.00 0.00 H +HETATM 1609 C1 UFX A 135 12.765 12.490 20.672 1.00 0.00 C +HETATM 1610 C2 UFX A 135 12.388 11.313 19.820 1.00 0.00 C +HETATM 1611 C3 UFX A 135 13.549 10.594 19.073 1.00 0.00 C +HETATM 1612 O1 UFX A 135 14.482 10.188 20.066 1.00 0.00 O +HETATM 1613 H1 UFX A 135 13.488 12.182 21.428 1.00 0.00 H +HETATM 1614 H2 UFX A 135 13.278 13.246 20.077 1.00 0.00 H +HETATM 1615 H3 UFX A 135 11.929 13.001 21.151 1.00 0.00 H +HETATM 1616 H4 UFX A 135 11.918 10.533 20.419 1.00 0.00 H +HETATM 1617 H5 UFX A 135 11.529 11.499 19.175 1.00 0.00 H +HETATM 1618 H6 UFX A 135 14.042 11.200 18.312 1.00 0.00 H +HETATM 1619 H7 UFX A 135 13.178 9.751 18.489 1.00 0.00 H +HETATM 1620 H8 UFX A 135 15.319 9.875 19.659 1.00 0.00 H +HETATM 1621 C1 UFX A 136 3.669 5.159 17.004 1.00 0.00 C +HETATM 1622 C2 UFX A 136 3.762 6.075 18.156 1.00 0.00 C +HETATM 1623 C3 UFX A 136 4.886 5.647 19.134 1.00 0.00 C +HETATM 1624 O1 UFX A 136 4.659 6.358 20.362 1.00 0.00 O +HETATM 1625 H1 UFX A 136 3.003 5.607 16.266 1.00 0.00 H +HETATM 1626 H2 UFX A 136 4.609 5.061 16.460 1.00 0.00 H +HETATM 1627 H3 UFX A 136 3.328 4.172 17.317 1.00 0.00 H +HETATM 1628 H4 UFX A 136 4.084 7.051 17.793 1.00 0.00 H +HETATM 1629 H5 UFX A 136 2.867 6.122 18.777 1.00 0.00 H +HETATM 1630 H6 UFX A 136 5.820 5.916 18.639 1.00 0.00 H +HETATM 1631 H7 UFX A 136 4.916 4.560 19.220 1.00 0.00 H +HETATM 1632 H8 UFX A 136 4.662 7.327 20.203 1.00 0.00 H +HETATM 1633 C1 UFX A 137 14.879 11.414 -1.366 1.00 0.00 C +HETATM 1634 C2 UFX A 137 13.612 12.047 -1.975 1.00 0.00 C +HETATM 1635 C3 UFX A 137 13.484 11.784 -3.503 1.00 0.00 C +HETATM 1636 O1 UFX A 137 13.033 10.461 -3.638 1.00 0.00 O +HETATM 1637 H1 UFX A 137 15.033 11.612 -0.306 1.00 0.00 H +HETATM 1638 H2 UFX A 137 14.852 10.326 -1.430 1.00 0.00 H +HETATM 1639 H3 UFX A 137 15.740 11.724 -1.959 1.00 0.00 H +HETATM 1640 H4 UFX A 137 12.757 11.736 -1.375 1.00 0.00 H +HETATM 1641 H5 UFX A 137 13.632 13.133 -1.888 1.00 0.00 H +HETATM 1642 H6 UFX A 137 14.463 11.958 -3.948 1.00 0.00 H +HETATM 1643 H7 UFX A 137 12.732 12.461 -3.910 1.00 0.00 H +HETATM 1644 H8 UFX A 137 12.959 10.249 -4.593 1.00 0.00 H +HETATM 1645 C1 UFX A 138 -8.925 13.444 13.360 1.00 0.00 C +HETATM 1646 C2 UFX A 138 -8.561 12.538 14.495 1.00 0.00 C +HETATM 1647 C3 UFX A 138 -7.517 11.473 14.003 1.00 0.00 C +HETATM 1648 O1 UFX A 138 -8.152 10.489 13.164 1.00 0.00 O +HETATM 1649 H1 UFX A 138 -9.694 14.154 13.667 1.00 0.00 H +HETATM 1650 H2 UFX A 138 -8.108 14.000 12.900 1.00 0.00 H +HETATM 1651 H3 UFX A 138 -9.463 12.845 12.625 1.00 0.00 H +HETATM 1652 H4 UFX A 138 -8.162 13.144 15.309 1.00 0.00 H +HETATM 1653 H5 UFX A 138 -9.440 12.019 14.876 1.00 0.00 H +HETATM 1654 H6 UFX A 138 -7.035 10.966 14.839 1.00 0.00 H +HETATM 1655 H7 UFX A 138 -6.701 11.981 13.490 1.00 0.00 H +HETATM 1656 H8 UFX A 138 -8.821 9.990 13.681 1.00 0.00 H +HETATM 1657 C1 UFX A 139 12.413 21.550 4.947 1.00 0.00 C +HETATM 1658 C2 UFX A 139 11.386 20.979 3.961 1.00 0.00 C +HETATM 1659 C3 UFX A 139 9.945 21.284 4.501 1.00 0.00 C +HETATM 1660 O1 UFX A 139 9.783 22.613 4.839 1.00 0.00 O +HETATM 1661 H1 UFX A 139 13.444 21.253 4.751 1.00 0.00 H +HETATM 1662 H2 UFX A 139 12.312 22.632 5.030 1.00 0.00 H +HETATM 1663 H3 UFX A 139 12.240 21.328 6.000 1.00 0.00 H +HETATM 1664 H4 UFX A 139 11.525 21.433 2.979 1.00 0.00 H +HETATM 1665 H5 UFX A 139 11.424 19.896 3.843 1.00 0.00 H +HETATM 1666 H6 UFX A 139 9.766 20.625 5.351 1.00 0.00 H +HETATM 1667 H7 UFX A 139 9.282 21.087 3.658 1.00 0.00 H +HETATM 1668 H8 UFX A 139 8.981 22.740 5.390 1.00 0.00 H +HETATM 1669 C1 UFX A 140 16.618 0.315 10.539 1.00 0.00 C +HETATM 1670 C2 UFX A 140 16.344 1.107 9.245 1.00 0.00 C +HETATM 1671 C3 UFX A 140 17.617 1.128 8.339 1.00 0.00 C +HETATM 1672 O1 UFX A 140 18.698 1.810 9.092 1.00 0.00 O +HETATM 1673 H1 UFX A 140 17.060 -0.650 10.292 1.00 0.00 H +HETATM 1674 H2 UFX A 140 17.312 0.797 11.228 1.00 0.00 H +HETATM 1675 H3 UFX A 140 15.726 0.189 11.151 1.00 0.00 H +HETATM 1676 H4 UFX A 140 15.549 0.684 8.632 1.00 0.00 H +HETATM 1677 H5 UFX A 140 16.239 2.167 9.473 1.00 0.00 H +HETATM 1678 H6 UFX A 140 17.383 1.662 7.417 1.00 0.00 H +HETATM 1679 H7 UFX A 140 17.826 0.108 8.016 1.00 0.00 H +HETATM 1680 H8 UFX A 140 18.412 2.715 9.343 1.00 0.00 H +HETATM 1681 C1 UFX A 141 6.192 29.179 23.578 1.00 0.00 C +HETATM 1682 C2 UFX A 141 4.961 30.184 23.619 1.00 0.00 C +HETATM 1683 C3 UFX A 141 3.907 29.793 22.514 1.00 0.00 C +HETATM 1684 O1 UFX A 141 4.335 29.763 21.217 1.00 0.00 O +HETATM 1685 H1 UFX A 141 5.761 28.184 23.691 1.00 0.00 H +HETATM 1686 H2 UFX A 141 6.649 29.214 22.589 1.00 0.00 H +HETATM 1687 H3 UFX A 141 6.861 29.464 24.390 1.00 0.00 H +HETATM 1688 H4 UFX A 141 4.472 30.189 24.593 1.00 0.00 H +HETATM 1689 H5 UFX A 141 5.284 31.208 23.426 1.00 0.00 H +HETATM 1690 H6 UFX A 141 3.077 30.499 22.513 1.00 0.00 H +HETATM 1691 H7 UFX A 141 3.520 28.808 22.777 1.00 0.00 H +HETATM 1692 H8 UFX A 141 4.758 30.592 20.905 1.00 0.00 H +HETATM 1693 C1 UFX A 142 29.785 7.352 -7.716 1.00 0.00 C +HETATM 1694 C2 UFX A 142 29.787 7.786 -6.264 1.00 0.00 C +HETATM 1695 C3 UFX A 142 28.743 8.734 -5.682 1.00 0.00 C +HETATM 1696 O1 UFX A 142 28.626 9.890 -6.538 1.00 0.00 O +HETATM 1697 H1 UFX A 142 28.993 6.626 -7.900 1.00 0.00 H +HETATM 1698 H2 UFX A 142 29.646 8.115 -8.482 1.00 0.00 H +HETATM 1699 H3 UFX A 142 30.710 6.796 -7.875 1.00 0.00 H +HETATM 1700 H4 UFX A 142 29.768 6.832 -5.738 1.00 0.00 H +HETATM 1701 H5 UFX A 142 30.714 8.350 -6.163 1.00 0.00 H +HETATM 1702 H6 UFX A 142 29.170 9.020 -4.721 1.00 0.00 H +HETATM 1703 H7 UFX A 142 27.768 8.249 -5.634 1.00 0.00 H +HETATM 1704 H8 UFX A 142 29.410 10.478 -6.576 1.00 0.00 H +HETATM 1705 C1 UFX A 143 34.660 21.621 25.084 1.00 0.00 C +HETATM 1706 C2 UFX A 143 34.126 20.239 24.804 1.00 0.00 C +HETATM 1707 C3 UFX A 143 34.539 19.675 23.433 1.00 0.00 C +HETATM 1708 O1 UFX A 143 34.325 20.561 22.322 1.00 0.00 O +HETATM 1709 H1 UFX A 143 35.689 21.688 24.730 1.00 0.00 H +HETATM 1710 H2 UFX A 143 34.066 22.303 24.475 1.00 0.00 H +HETATM 1711 H3 UFX A 143 34.745 22.025 26.092 1.00 0.00 H +HETATM 1712 H4 UFX A 143 34.568 19.635 25.597 1.00 0.00 H +HETATM 1713 H5 UFX A 143 33.036 20.244 24.772 1.00 0.00 H +HETATM 1714 H6 UFX A 143 34.104 18.701 23.210 1.00 0.00 H +HETATM 1715 H7 UFX A 143 35.567 19.327 23.536 1.00 0.00 H +HETATM 1716 H8 UFX A 143 33.475 21.029 22.467 1.00 0.00 H +HETATM 1717 C1 UFX A 144 17.047 8.035 -3.852 1.00 0.00 C +HETATM 1718 C2 UFX A 144 18.057 8.335 -2.726 1.00 0.00 C +HETATM 1719 C3 UFX A 144 18.436 9.860 -2.636 1.00 0.00 C +HETATM 1720 O1 UFX A 144 19.005 10.275 -3.925 1.00 0.00 O +HETATM 1721 H1 UFX A 144 16.027 7.934 -3.480 1.00 0.00 H +HETATM 1722 H2 UFX A 144 17.038 8.885 -4.535 1.00 0.00 H +HETATM 1723 H3 UFX A 144 17.316 7.096 -4.336 1.00 0.00 H +HETATM 1724 H4 UFX A 144 17.602 8.053 -1.776 1.00 0.00 H +HETATM 1725 H5 UFX A 144 18.951 7.713 -2.766 1.00 0.00 H +HETATM 1726 H6 UFX A 144 19.157 9.928 -1.821 1.00 0.00 H +HETATM 1727 H7 UFX A 144 17.598 10.484 -2.325 1.00 0.00 H +HETATM 1728 H8 UFX A 144 18.337 10.196 -4.639 1.00 0.00 H +HETATM 1729 C1 UFX A 145 26.752 25.549 13.344 1.00 0.00 C +HETATM 1730 C2 UFX A 145 27.788 25.602 12.139 1.00 0.00 C +HETATM 1731 C3 UFX A 145 29.032 26.458 12.424 1.00 0.00 C +HETATM 1732 O1 UFX A 145 28.736 27.831 12.366 1.00 0.00 O +HETATM 1733 H1 UFX A 145 26.293 26.515 13.555 1.00 0.00 H +HETATM 1734 H2 UFX A 145 25.888 24.906 13.170 1.00 0.00 H +HETATM 1735 H3 UFX A 145 27.235 25.101 14.212 1.00 0.00 H +HETATM 1736 H4 UFX A 145 28.076 24.565 11.966 1.00 0.00 H +HETATM 1737 H5 UFX A 145 27.166 25.892 11.292 1.00 0.00 H +HETATM 1738 H6 UFX A 145 29.839 26.302 11.709 1.00 0.00 H +HETATM 1739 H7 UFX A 145 29.502 26.069 13.328 1.00 0.00 H +HETATM 1740 H8 UFX A 145 27.772 28.011 12.366 1.00 0.00 H +HETATM 1741 C1 UFX A 146 35.914 25.504 20.853 1.00 0.00 C +HETATM 1742 C2 UFX A 146 34.735 26.108 19.924 1.00 0.00 C +HETATM 1743 C3 UFX A 146 35.193 26.915 18.718 1.00 0.00 C +HETATM 1744 O1 UFX A 146 36.218 27.879 19.091 1.00 0.00 O +HETATM 1745 H1 UFX A 146 35.483 24.834 21.597 1.00 0.00 H +HETATM 1746 H2 UFX A 146 36.741 24.987 20.366 1.00 0.00 H +HETATM 1747 H3 UFX A 146 36.368 26.326 21.406 1.00 0.00 H +HETATM 1748 H4 UFX A 146 34.168 25.283 19.494 1.00 0.00 H +HETATM 1749 H5 UFX A 146 34.069 26.693 20.558 1.00 0.00 H +HETATM 1750 H6 UFX A 146 34.360 27.456 18.268 1.00 0.00 H +HETATM 1751 H7 UFX A 146 35.546 26.156 18.020 1.00 0.00 H +HETATM 1752 H8 UFX A 146 35.886 28.365 19.876 1.00 0.00 H +HETATM 1753 C1 UFX A 147 25.774 20.934 16.425 1.00 0.00 C +HETATM 1754 C2 UFX A 147 26.053 21.318 17.901 1.00 0.00 C +HETATM 1755 C3 UFX A 147 27.408 22.045 18.126 1.00 0.00 C +HETATM 1756 O1 UFX A 147 27.565 22.502 19.459 1.00 0.00 O +HETATM 1757 H1 UFX A 147 26.307 20.014 16.182 1.00 0.00 H +HETATM 1758 H2 UFX A 147 24.724 20.643 16.401 1.00 0.00 H +HETATM 1759 H3 UFX A 147 25.784 21.774 15.730 1.00 0.00 H +HETATM 1760 H4 UFX A 147 25.231 21.915 18.296 1.00 0.00 H +HETATM 1761 H5 UFX A 147 26.051 20.367 18.435 1.00 0.00 H +HETATM 1762 H6 UFX A 147 27.268 22.988 17.597 1.00 0.00 H +HETATM 1763 H7 UFX A 147 28.285 21.451 17.868 1.00 0.00 H +HETATM 1764 H8 UFX A 147 26.794 23.077 19.651 1.00 0.00 H +HETATM 1765 C1 UFX A 148 23.484 29.476 21.645 1.00 0.00 C +HETATM 1766 C2 UFX A 148 23.891 30.070 20.256 1.00 0.00 C +HETATM 1767 C3 UFX A 148 24.238 28.943 19.347 1.00 0.00 C +HETATM 1768 O1 UFX A 148 24.808 29.372 18.114 1.00 0.00 O +HETATM 1769 H1 UFX A 148 22.553 28.927 21.502 1.00 0.00 H +HETATM 1770 H2 UFX A 148 24.213 28.806 22.101 1.00 0.00 H +HETATM 1771 H3 UFX A 148 23.284 30.323 22.302 1.00 0.00 H +HETATM 1772 H4 UFX A 148 22.985 30.520 19.848 1.00 0.00 H +HETATM 1773 H5 UFX A 148 24.682 30.813 20.360 1.00 0.00 H +HETATM 1774 H6 UFX A 148 23.285 28.481 19.092 1.00 0.00 H +HETATM 1775 H7 UFX A 148 24.914 28.334 19.948 1.00 0.00 H +HETATM 1776 H8 UFX A 148 24.173 30.000 17.706 1.00 0.00 H +HETATM 1777 C1 UFX A 149 7.165 22.572 24.259 1.00 0.00 C +HETATM 1778 C2 UFX A 149 7.404 23.271 25.637 1.00 0.00 C +HETATM 1779 C3 UFX A 149 8.661 22.588 26.301 1.00 0.00 C +HETATM 1780 O1 UFX A 149 8.365 21.194 26.550 1.00 0.00 O +HETATM 1781 H1 UFX A 149 6.681 21.604 24.390 1.00 0.00 H +HETATM 1782 H2 UFX A 149 6.463 23.231 23.747 1.00 0.00 H +HETATM 1783 H3 UFX A 149 8.084 22.492 23.678 1.00 0.00 H +HETATM 1784 H4 UFX A 149 7.630 24.310 25.396 1.00 0.00 H +HETATM 1785 H5 UFX A 149 6.561 23.190 26.323 1.00 0.00 H +HETATM 1786 H6 UFX A 149 8.952 23.050 27.244 1.00 0.00 H +HETATM 1787 H7 UFX A 149 9.509 22.687 25.623 1.00 0.00 H +HETATM 1788 H8 UFX A 149 8.235 20.672 25.730 1.00 0.00 H +HETATM 1789 C1 UFX A 150 24.900 22.071 11.955 1.00 0.00 C +HETATM 1790 C2 UFX A 150 25.711 20.797 11.986 1.00 0.00 C +HETATM 1791 C3 UFX A 150 26.878 20.860 10.966 1.00 0.00 C +HETATM 1792 O1 UFX A 150 26.428 20.577 9.680 1.00 0.00 O +HETATM 1793 H1 UFX A 150 24.115 22.116 12.710 1.00 0.00 H +HETATM 1794 H2 UFX A 150 25.593 22.882 12.179 1.00 0.00 H +HETATM 1795 H3 UFX A 150 24.606 22.310 10.933 1.00 0.00 H +HETATM 1796 H4 UFX A 150 26.094 20.653 12.997 1.00 0.00 H +HETATM 1797 H5 UFX A 150 25.044 19.960 11.778 1.00 0.00 H +HETATM 1798 H6 UFX A 150 27.534 20.028 11.224 1.00 0.00 H +HETATM 1799 H7 UFX A 150 27.418 21.806 11.016 1.00 0.00 H +HETATM 1800 H8 UFX A 150 25.852 21.304 9.360 1.00 0.00 H +HETATM 1801 C1 UFX A 151 -2.997 2.210 6.702 1.00 0.00 C +HETATM 1802 C2 UFX A 151 -2.376 1.232 7.719 1.00 0.00 C +HETATM 1803 C3 UFX A 151 -1.803 1.842 8.989 1.00 0.00 C +HETATM 1804 O1 UFX A 151 -0.547 2.449 8.663 1.00 0.00 O +HETATM 1805 H1 UFX A 151 -3.263 1.694 5.779 1.00 0.00 H +HETATM 1806 H2 UFX A 151 -3.883 2.753 7.032 1.00 0.00 H +HETATM 1807 H3 UFX A 151 -2.187 2.906 6.484 1.00 0.00 H +HETATM 1808 H4 UFX A 151 -3.205 0.603 8.044 1.00 0.00 H +HETATM 1809 H5 UFX A 151 -1.637 0.706 7.114 1.00 0.00 H +HETATM 1810 H6 UFX A 151 -1.646 1.078 9.750 1.00 0.00 H +HETATM 1811 H7 UFX A 151 -2.515 2.583 9.352 1.00 0.00 H +HETATM 1812 H8 UFX A 151 -0.513 3.407 8.873 1.00 0.00 H +HETATM 1813 C1 UFX A 152 14.785 11.231 3.963 1.00 0.00 C +HETATM 1814 C2 UFX A 152 15.689 11.734 5.105 1.00 0.00 C +HETATM 1815 C3 UFX A 152 16.503 10.625 5.881 1.00 0.00 C +HETATM 1816 O1 UFX A 152 15.558 9.603 6.351 1.00 0.00 O +HETATM 1817 H1 UFX A 152 13.992 10.648 4.432 1.00 0.00 H +HETATM 1818 H2 UFX A 152 14.333 12.082 3.454 1.00 0.00 H +HETATM 1819 H3 UFX A 152 15.293 10.583 3.248 1.00 0.00 H +HETATM 1820 H4 UFX A 152 16.387 12.479 4.721 1.00 0.00 H +HETATM 1821 H5 UFX A 152 15.026 12.241 5.806 1.00 0.00 H +HETATM 1822 H6 UFX A 152 16.957 11.081 6.761 1.00 0.00 H +HETATM 1823 H7 UFX A 152 17.389 10.222 5.390 1.00 0.00 H +HETATM 1824 H8 UFX A 152 15.730 9.322 7.275 1.00 0.00 H +HETATM 1825 C1 UFX A 153 6.126 -0.915 12.676 1.00 0.00 C +HETATM 1826 C2 UFX A 153 5.320 -0.532 11.481 1.00 0.00 C +HETATM 1827 C3 UFX A 153 3.895 -1.166 11.477 1.00 0.00 C +HETATM 1828 O1 UFX A 153 3.974 -2.609 11.328 1.00 0.00 O +HETATM 1829 H1 UFX A 153 5.649 -0.605 13.605 1.00 0.00 H +HETATM 1830 H2 UFX A 153 6.389 -1.973 12.684 1.00 0.00 H +HETATM 1831 H3 UFX A 153 7.095 -0.415 12.671 1.00 0.00 H +HETATM 1832 H4 UFX A 153 5.147 0.542 11.552 1.00 0.00 H +HETATM 1833 H5 UFX A 153 5.900 -0.765 10.588 1.00 0.00 H +HETATM 1834 H6 UFX A 153 3.287 -0.802 10.649 1.00 0.00 H +HETATM 1835 H7 UFX A 153 3.415 -0.815 12.391 1.00 0.00 H +HETATM 1836 H8 UFX A 153 3.083 -3.014 11.398 1.00 0.00 H +HETATM 1837 C1 UFX A 154 21.107 3.554 13.543 1.00 0.00 C +HETATM 1838 C2 UFX A 154 19.891 2.757 13.214 1.00 0.00 C +HETATM 1839 C3 UFX A 154 20.004 1.387 13.928 1.00 0.00 C +HETATM 1840 O1 UFX A 154 20.891 0.446 13.302 1.00 0.00 O +HETATM 1841 H1 UFX A 154 21.972 3.101 13.058 1.00 0.00 H +HETATM 1842 H2 UFX A 154 21.043 4.509 13.022 1.00 0.00 H +HETATM 1843 H3 UFX A 154 21.284 3.724 14.605 1.00 0.00 H +HETATM 1844 H4 UFX A 154 18.959 3.215 13.548 1.00 0.00 H +HETATM 1845 H5 UFX A 154 19.687 2.556 12.162 1.00 0.00 H +HETATM 1846 H6 UFX A 154 19.005 0.981 13.770 1.00 0.00 H +HETATM 1847 H7 UFX A 154 20.246 1.510 14.984 1.00 0.00 H +HETATM 1848 H8 UFX A 154 20.589 0.130 12.424 1.00 0.00 H +HETATM 1849 C1 UFX A 155 23.778 27.536 32.387 1.00 0.00 C +HETATM 1850 C2 UFX A 155 24.306 28.941 31.978 1.00 0.00 C +HETATM 1851 C3 UFX A 155 23.641 29.393 30.643 1.00 0.00 C +HETATM 1852 O1 UFX A 155 22.295 29.747 30.928 1.00 0.00 O +HETATM 1853 H1 UFX A 155 22.695 27.583 32.270 1.00 0.00 H +HETATM 1854 H2 UFX A 155 24.061 26.906 31.543 1.00 0.00 H +HETATM 1855 H3 UFX A 155 24.155 27.254 33.371 1.00 0.00 H +HETATM 1856 H4 UFX A 155 24.021 29.689 32.719 1.00 0.00 H +HETATM 1857 H5 UFX A 155 25.391 29.003 32.064 1.00 0.00 H +HETATM 1858 H6 UFX A 155 23.683 28.628 29.867 1.00 0.00 H +HETATM 1859 H7 UFX A 155 24.165 30.256 30.232 1.00 0.00 H +HETATM 1860 H8 UFX A 155 22.263 30.069 31.854 1.00 0.00 H +HETATM 1861 C1 UFX A 156 14.019 6.049 22.032 1.00 0.00 C +HETATM 1862 C2 UFX A 156 13.794 4.648 21.315 1.00 0.00 C +HETATM 1863 C3 UFX A 156 14.590 4.618 20.014 1.00 0.00 C +HETATM 1864 O1 UFX A 156 14.361 3.372 19.283 1.00 0.00 O +HETATM 1865 H1 UFX A 156 13.533 5.937 23.001 1.00 0.00 H +HETATM 1866 H2 UFX A 156 15.057 6.249 22.295 1.00 0.00 H +HETATM 1867 H3 UFX A 156 13.511 6.845 21.487 1.00 0.00 H +HETATM 1868 H4 UFX A 156 14.117 3.802 21.921 1.00 0.00 H +HETATM 1869 H5 UFX A 156 12.745 4.525 21.048 1.00 0.00 H +HETATM 1870 H6 UFX A 156 15.657 4.809 20.125 1.00 0.00 H +HETATM 1871 H7 UFX A 156 14.237 5.404 19.346 1.00 0.00 H +HETATM 1872 H8 UFX A 156 14.563 2.579 19.825 1.00 0.00 H +HETATM 1873 C1 UFX A 157 15.214 24.512 30.735 1.00 0.00 C +HETATM 1874 C2 UFX A 157 13.813 24.549 31.149 1.00 0.00 C +HETATM 1875 C3 UFX A 157 12.917 25.107 30.013 1.00 0.00 C +HETATM 1876 O1 UFX A 157 13.227 26.416 29.717 1.00 0.00 O +HETATM 1877 H1 UFX A 157 15.795 23.952 31.468 1.00 0.00 H +HETATM 1878 H2 UFX A 157 15.373 24.123 29.729 1.00 0.00 H +HETATM 1879 H3 UFX A 157 15.508 25.562 30.724 1.00 0.00 H +HETATM 1880 H4 UFX A 157 13.410 23.544 31.272 1.00 0.00 H +HETATM 1881 H5 UFX A 157 13.632 25.265 31.951 1.00 0.00 H +HETATM 1882 H6 UFX A 157 11.880 25.153 30.345 1.00 0.00 H +HETATM 1883 H7 UFX A 157 12.953 24.479 29.123 1.00 0.00 H +HETATM 1884 H8 UFX A 157 13.235 26.982 30.519 1.00 0.00 H +HETATM 1885 C1 UFX A 158 7.394 23.961 12.302 1.00 0.00 C +HETATM 1886 C2 UFX A 158 6.256 24.984 12.577 1.00 0.00 C +HETATM 1887 C3 UFX A 158 6.805 26.458 12.396 1.00 0.00 C +HETATM 1888 O1 UFX A 158 7.935 26.722 13.158 1.00 0.00 O +HETATM 1889 H1 UFX A 158 8.117 24.001 13.116 1.00 0.00 H +HETATM 1890 H2 UFX A 158 7.056 22.930 12.194 1.00 0.00 H +HETATM 1891 H3 UFX A 158 7.905 24.239 11.380 1.00 0.00 H +HETATM 1892 H4 UFX A 158 5.473 24.879 11.825 1.00 0.00 H +HETATM 1893 H5 UFX A 158 5.789 24.830 13.549 1.00 0.00 H +HETATM 1894 H6 UFX A 158 5.994 27.171 12.543 1.00 0.00 H +HETATM 1895 H7 UFX A 158 7.147 26.515 11.362 1.00 0.00 H +HETATM 1896 H8 UFX A 158 8.300 27.620 13.005 1.00 0.00 H +HETATM 1897 C1 UFX A 159 18.999 4.209 24.523 1.00 0.00 C +HETATM 1898 C2 UFX A 159 20.442 3.955 25.000 1.00 0.00 C +HETATM 1899 C3 UFX A 159 21.026 5.022 25.997 1.00 0.00 C +HETATM 1900 O1 UFX A 159 22.400 4.559 26.340 1.00 0.00 O +HETATM 1901 H1 UFX A 159 18.786 3.470 23.751 1.00 0.00 H +HETATM 1902 H2 UFX A 159 18.397 4.103 25.426 1.00 0.00 H +HETATM 1903 H3 UFX A 159 18.978 5.217 24.110 1.00 0.00 H +HETATM 1904 H4 UFX A 159 20.510 2.953 25.425 1.00 0.00 H +HETATM 1905 H5 UFX A 159 21.137 3.975 24.161 1.00 0.00 H +HETATM 1906 H6 UFX A 159 20.432 5.093 26.909 1.00 0.00 H +HETATM 1907 H7 UFX A 159 21.062 5.935 25.403 1.00 0.00 H +HETATM 1908 H8 UFX A 159 22.913 5.262 26.793 1.00 0.00 H +HETATM 1909 C1 UFX A 160 15.605 5.119 11.172 1.00 0.00 C +HETATM 1910 C2 UFX A 160 16.845 5.048 12.008 1.00 0.00 C +HETATM 1911 C3 UFX A 160 18.100 5.368 11.188 1.00 0.00 C +HETATM 1912 O1 UFX A 160 18.239 4.617 9.955 1.00 0.00 O +HETATM 1913 H1 UFX A 160 15.566 6.068 10.638 1.00 0.00 H +HETATM 1914 H2 UFX A 160 15.483 4.343 10.416 1.00 0.00 H +HETATM 1915 H3 UFX A 160 14.729 5.003 11.810 1.00 0.00 H +HETATM 1916 H4 UFX A 160 16.794 5.763 12.830 1.00 0.00 H +HETATM 1917 H5 UFX A 160 16.975 4.069 12.469 1.00 0.00 H +HETATM 1918 H6 UFX A 160 18.993 5.313 11.812 1.00 0.00 H +HETATM 1919 H7 UFX A 160 17.958 6.396 10.855 1.00 0.00 H +HETATM 1920 H8 UFX A 160 17.711 5.039 9.244 1.00 0.00 H +HETATM 1921 C1 UFX A 161 22.935 22.410 28.085 1.00 0.00 C +HETATM 1922 C2 UFX A 161 21.681 21.562 28.332 1.00 0.00 C +HETATM 1923 C3 UFX A 161 21.933 20.097 28.534 1.00 0.00 C +HETATM 1924 O1 UFX A 161 21.055 19.616 29.549 1.00 0.00 O +HETATM 1925 H1 UFX A 161 22.702 23.473 28.156 1.00 0.00 H +HETATM 1926 H2 UFX A 161 23.739 22.150 28.774 1.00 0.00 H +HETATM 1927 H3 UFX A 161 23.261 22.214 27.063 1.00 0.00 H +HETATM 1928 H4 UFX A 161 21.153 22.067 29.140 1.00 0.00 H +HETATM 1929 H5 UFX A 161 21.025 21.714 27.475 1.00 0.00 H +HETATM 1930 H6 UFX A 161 22.983 19.969 28.795 1.00 0.00 H +HETATM 1931 H7 UFX A 161 21.626 19.636 27.595 1.00 0.00 H +HETATM 1932 H8 UFX A 161 21.378 18.762 29.910 1.00 0.00 H +HETATM 1933 C1 UFX A 162 19.691 20.290 18.848 1.00 0.00 C +HETATM 1934 C2 UFX A 162 19.518 19.223 19.960 1.00 0.00 C +HETATM 1935 C3 UFX A 162 18.272 18.284 19.636 1.00 0.00 C +HETATM 1936 O1 UFX A 162 18.490 17.734 18.283 1.00 0.00 O +HETATM 1937 H1 UFX A 162 20.431 21.069 19.032 1.00 0.00 H +HETATM 1938 H2 UFX A 162 20.083 19.792 17.961 1.00 0.00 H +HETATM 1939 H3 UFX A 162 18.746 20.784 18.619 1.00 0.00 H +HETATM 1940 H4 UFX A 162 20.374 18.559 20.085 1.00 0.00 H +HETATM 1941 H5 UFX A 162 19.283 19.688 20.918 1.00 0.00 H +HETATM 1942 H6 UFX A 162 17.342 18.847 19.721 1.00 0.00 H +HETATM 1943 H7 UFX A 162 18.290 17.416 20.296 1.00 0.00 H +HETATM 1944 H8 UFX A 162 19.395 17.359 18.233 1.00 0.00 H +HETATM 1945 C1 UFX A 163 13.592 0.986 21.781 1.00 0.00 C +HETATM 1946 C2 UFX A 163 14.763 0.064 21.869 1.00 0.00 C +HETATM 1947 C3 UFX A 163 16.090 0.869 21.689 1.00 0.00 C +HETATM 1948 O1 UFX A 163 16.102 1.242 20.294 1.00 0.00 O +HETATM 1949 H1 UFX A 163 12.687 0.464 22.092 1.00 0.00 H +HETATM 1950 H2 UFX A 163 13.858 1.841 22.403 1.00 0.00 H +HETATM 1951 H3 UFX A 163 13.478 1.254 20.730 1.00 0.00 H +HETATM 1952 H4 UFX A 163 14.812 -0.519 22.789 1.00 0.00 H +HETATM 1953 H5 UFX A 163 14.549 -0.696 21.118 1.00 0.00 H +HETATM 1954 H6 UFX A 163 16.950 0.214 21.826 1.00 0.00 H +HETATM 1955 H7 UFX A 163 16.177 1.748 22.329 1.00 0.00 H +HETATM 1956 H8 UFX A 163 16.082 0.403 19.786 1.00 0.00 H +HETATM 1957 C1 UFX A 164 6.117 13.554 18.063 1.00 0.00 C +HETATM 1958 C2 UFX A 164 7.494 13.067 18.375 1.00 0.00 C +HETATM 1959 C3 UFX A 164 7.510 11.538 18.711 1.00 0.00 C +HETATM 1960 O1 UFX A 164 6.908 11.268 20.039 1.00 0.00 O +HETATM 1961 H1 UFX A 164 5.505 13.499 18.964 1.00 0.00 H +HETATM 1962 H2 UFX A 164 6.053 14.590 17.730 1.00 0.00 H +HETATM 1963 H3 UFX A 164 5.621 12.982 17.278 1.00 0.00 H +HETATM 1964 H4 UFX A 164 8.123 13.262 17.506 1.00 0.00 H +HETATM 1965 H5 UFX A 164 7.974 13.691 19.130 1.00 0.00 H +HETATM 1966 H6 UFX A 164 8.476 11.036 18.758 1.00 0.00 H +HETATM 1967 H7 UFX A 164 6.849 11.028 18.010 1.00 0.00 H +HETATM 1968 H8 UFX A 164 7.446 11.656 20.762 1.00 0.00 H +HETATM 1969 C1 UFX A 165 6.746 22.880 8.899 1.00 0.00 C +HETATM 1970 C2 UFX A 165 8.115 22.503 8.376 1.00 0.00 C +HETATM 1971 C3 UFX A 165 8.235 21.061 7.810 1.00 0.00 C +HETATM 1972 O1 UFX A 165 7.312 21.020 6.689 1.00 0.00 O +HETATM 1973 H1 UFX A 165 6.414 22.147 9.633 1.00 0.00 H +HETATM 1974 H2 UFX A 165 6.679 23.928 9.194 1.00 0.00 H +HETATM 1975 H3 UFX A 165 6.029 22.737 8.090 1.00 0.00 H +HETATM 1976 H4 UFX A 165 8.375 23.087 7.493 1.00 0.00 H +HETATM 1977 H5 UFX A 165 8.830 22.689 9.177 1.00 0.00 H +HETATM 1978 H6 UFX A 165 7.984 20.320 8.569 1.00 0.00 H +HETATM 1979 H7 UFX A 165 9.266 20.792 7.581 1.00 0.00 H +HETATM 1980 H8 UFX A 165 6.389 21.170 6.984 1.00 0.00 H +HETATM 1981 C1 UFX A 166 29.636 3.102 25.594 1.00 0.00 C +HETATM 1982 C2 UFX A 166 29.511 2.007 24.543 1.00 0.00 C +HETATM 1983 C3 UFX A 166 28.542 0.913 24.925 1.00 0.00 C +HETATM 1984 O1 UFX A 166 29.005 0.333 26.152 1.00 0.00 O +HETATM 1985 H1 UFX A 166 28.866 3.831 25.340 1.00 0.00 H +HETATM 1986 H2 UFX A 166 29.358 2.811 26.607 1.00 0.00 H +HETATM 1987 H3 UFX A 166 30.603 3.605 25.599 1.00 0.00 H +HETATM 1988 H4 UFX A 166 29.308 2.409 23.550 1.00 0.00 H +HETATM 1989 H5 UFX A 166 30.510 1.573 24.514 1.00 0.00 H +HETATM 1990 H6 UFX A 166 28.342 0.175 24.148 1.00 0.00 H +HETATM 1991 H7 UFX A 166 27.573 1.410 24.974 1.00 0.00 H +HETATM 1992 H8 UFX A 166 29.978 0.229 26.081 1.00 0.00 H +HETATM 1993 C1 UFX A 167 5.967 0.316 17.293 1.00 0.00 C +HETATM 1994 C2 UFX A 167 5.845 -0.693 18.498 1.00 0.00 C +HETATM 1995 C3 UFX A 167 7.144 -1.561 18.589 1.00 0.00 C +HETATM 1996 O1 UFX A 167 6.966 -2.561 19.620 1.00 0.00 O +HETATM 1997 H1 UFX A 167 5.742 -0.182 16.350 1.00 0.00 H +HETATM 1998 H2 UFX A 167 5.243 1.115 17.454 1.00 0.00 H +HETATM 1999 H3 UFX A 167 7.001 0.657 17.242 1.00 0.00 H +HETATM 2000 H4 UFX A 167 5.833 -0.073 19.394 1.00 0.00 H +HETATM 2001 H5 UFX A 167 4.923 -1.264 18.390 1.00 0.00 H +HETATM 2002 H6 UFX A 167 8.092 -1.029 18.665 1.00 0.00 H +HETATM 2003 H7 UFX A 167 7.250 -2.150 17.678 1.00 0.00 H +HETATM 2004 H8 UFX A 167 6.088 -2.997 19.588 1.00 0.00 H +HETATM 2005 C1 UFX A 168 11.686 -1.688 18.871 1.00 0.00 C +HETATM 2006 C2 UFX A 168 12.196 -2.704 17.793 1.00 0.00 C +HETATM 2007 C3 UFX A 168 11.009 -3.581 17.295 1.00 0.00 C +HETATM 2008 O1 UFX A 168 11.466 -4.442 16.244 1.00 0.00 O +HETATM 2009 H1 UFX A 168 11.057 -0.955 18.366 1.00 0.00 H +HETATM 2010 H2 UFX A 168 11.180 -2.138 19.726 1.00 0.00 H +HETATM 2011 H3 UFX A 168 12.608 -1.211 19.205 1.00 0.00 H +HETATM 2012 H4 UFX A 168 12.735 -2.185 17.001 1.00 0.00 H +HETATM 2013 H5 UFX A 168 12.916 -3.341 18.307 1.00 0.00 H +HETATM 2014 H6 UFX A 168 10.199 -2.938 16.952 1.00 0.00 H +HETATM 2015 H7 UFX A 168 10.670 -4.077 18.205 1.00 0.00 H +HETATM 2016 H8 UFX A 168 10.672 -4.711 15.733 1.00 0.00 H +HETATM 2017 C1 UFX A 169 13.025 30.059 8.224 1.00 0.00 C +HETATM 2018 C2 UFX A 169 14.281 29.153 8.175 1.00 0.00 C +HETATM 2019 C3 UFX A 169 13.925 27.729 8.473 1.00 0.00 C +HETATM 2020 O1 UFX A 169 13.448 27.578 9.768 1.00 0.00 O +HETATM 2021 H1 UFX A 169 12.345 29.503 7.578 1.00 0.00 H +HETATM 2022 H2 UFX A 169 12.637 30.117 9.241 1.00 0.00 H +HETATM 2023 H3 UFX A 169 13.416 31.035 7.936 1.00 0.00 H +HETATM 2024 H4 UFX A 169 14.836 29.231 7.240 1.00 0.00 H +HETATM 2025 H5 UFX A 169 14.995 29.563 8.890 1.00 0.00 H +HETATM 2026 H6 UFX A 169 14.873 27.191 8.458 1.00 0.00 H +HETATM 2027 H7 UFX A 169 13.229 27.329 7.735 1.00 0.00 H +HETATM 2028 H8 UFX A 169 12.536 27.918 9.892 1.00 0.00 H +HETATM 2029 C1 UFX A 170 1.458 7.055 13.305 1.00 0.00 C +HETATM 2030 C2 UFX A 170 1.612 8.490 13.863 1.00 0.00 C +HETATM 2031 C3 UFX A 170 0.287 9.117 14.222 1.00 0.00 C +HETATM 2032 O1 UFX A 170 0.512 10.412 14.701 1.00 0.00 O +HETATM 2033 H1 UFX A 170 0.819 6.449 13.948 1.00 0.00 H +HETATM 2034 H2 UFX A 170 1.035 7.112 12.303 1.00 0.00 H +HETATM 2035 H3 UFX A 170 2.400 6.507 13.266 1.00 0.00 H +HETATM 2036 H4 UFX A 170 2.222 8.467 14.765 1.00 0.00 H +HETATM 2037 H5 UFX A 170 2.050 9.096 13.070 1.00 0.00 H +HETATM 2038 H6 UFX A 170 -0.166 8.462 14.965 1.00 0.00 H +HETATM 2039 H7 UFX A 170 -0.386 9.046 13.367 1.00 0.00 H +HETATM 2040 H8 UFX A 170 0.779 10.988 13.954 1.00 0.00 H +HETATM 2041 C1 UFX A 171 -1.778 14.892 4.616 1.00 0.00 C +HETATM 2042 C2 UFX A 171 -2.705 16.124 4.801 1.00 0.00 C +HETATM 2043 C3 UFX A 171 -1.885 17.331 5.230 1.00 0.00 C +HETATM 2044 O1 UFX A 171 -2.589 18.633 5.341 1.00 0.00 O +HETATM 2045 H1 UFX A 171 -2.306 14.058 4.152 1.00 0.00 H +HETATM 2046 H2 UFX A 171 -1.050 15.276 3.902 1.00 0.00 H +HETATM 2047 H3 UFX A 171 -1.314 14.554 5.543 1.00 0.00 H +HETATM 2048 H4 UFX A 171 -3.169 16.331 3.836 1.00 0.00 H +HETATM 2049 H5 UFX A 171 -3.499 15.989 5.536 1.00 0.00 H +HETATM 2050 H6 UFX A 171 -1.163 17.513 4.433 1.00 0.00 H +HETATM 2051 H7 UFX A 171 -1.285 17.092 6.108 1.00 0.00 H +HETATM 2052 H8 UFX A 171 -3.207 18.613 6.104 1.00 0.00 H +HETATM 2053 C1 UFX A 172 14.882 22.077 15.566 1.00 0.00 C +HETATM 2054 C2 UFX A 172 15.405 20.640 15.650 1.00 0.00 C +HETATM 2055 C3 UFX A 172 16.289 20.341 16.879 1.00 0.00 C +HETATM 2056 O1 UFX A 172 16.586 18.910 16.907 1.00 0.00 O +HETATM 2057 H1 UFX A 172 14.102 22.247 16.308 1.00 0.00 H +HETATM 2058 H2 UFX A 172 15.666 22.831 15.637 1.00 0.00 H +HETATM 2059 H3 UFX A 172 14.516 22.365 14.580 1.00 0.00 H +HETATM 2060 H4 UFX A 172 14.570 19.945 15.551 1.00 0.00 H +HETATM 2061 H5 UFX A 172 16.044 20.487 14.781 1.00 0.00 H +HETATM 2062 H6 UFX A 172 15.729 20.576 17.785 1.00 0.00 H +HETATM 2063 H7 UFX A 172 17.206 20.930 16.891 1.00 0.00 H +HETATM 2064 H8 UFX A 172 17.168 18.569 17.620 1.00 0.00 H +HETATM 2065 C1 UFX A 173 6.708 0.533 26.794 1.00 0.00 C +HETATM 2066 C2 UFX A 173 7.145 1.956 27.318 1.00 0.00 C +HETATM 2067 C3 UFX A 173 7.625 1.871 28.728 1.00 0.00 C +HETATM 2068 O1 UFX A 173 8.604 0.760 29.019 1.00 0.00 O +HETATM 2069 H1 UFX A 173 5.811 0.171 27.295 1.00 0.00 H +HETATM 2070 H2 UFX A 173 6.533 0.531 25.718 1.00 0.00 H +HETATM 2071 H3 UFX A 173 7.414 -0.281 26.962 1.00 0.00 H +HETATM 2072 H4 UFX A 173 7.991 2.342 26.749 1.00 0.00 H +HETATM 2073 H5 UFX A 173 6.310 2.631 27.130 1.00 0.00 H +HETATM 2074 H6 UFX A 173 6.769 1.844 29.402 1.00 0.00 H +HETATM 2075 H7 UFX A 173 8.111 2.830 28.907 1.00 0.00 H +HETATM 2076 H8 UFX A 173 9.360 0.759 28.394 1.00 0.00 H +HETATM 2077 C1 UFX A 174 13.705 22.165 26.008 1.00 0.00 C +HETATM 2078 C2 UFX A 174 13.661 23.389 25.053 1.00 0.00 C +HETATM 2079 C3 UFX A 174 13.180 22.909 23.728 1.00 0.00 C +HETATM 2080 O1 UFX A 174 12.973 24.071 22.968 1.00 0.00 O +HETATM 2081 H1 UFX A 174 14.600 21.567 25.838 1.00 0.00 H +HETATM 2082 H2 UFX A 174 13.785 22.482 27.048 1.00 0.00 H +HETATM 2083 H3 UFX A 174 12.811 21.574 25.807 1.00 0.00 H +HETATM 2084 H4 UFX A 174 13.015 24.154 25.484 1.00 0.00 H +HETATM 2085 H5 UFX A 174 14.639 23.834 24.869 1.00 0.00 H +HETATM 2086 H6 UFX A 174 12.174 22.501 23.830 1.00 0.00 H +HETATM 2087 H7 UFX A 174 13.950 22.226 23.369 1.00 0.00 H +HETATM 2088 H8 UFX A 174 12.398 24.720 23.427 1.00 0.00 H +HETATM 2089 C1 UFX A 175 -0.357 27.816 7.025 1.00 0.00 C +HETATM 2090 C2 UFX A 175 0.565 26.597 6.724 1.00 0.00 C +HETATM 2091 C3 UFX A 175 1.218 26.760 5.305 1.00 0.00 C +HETATM 2092 O1 UFX A 175 2.285 27.823 5.427 1.00 0.00 O +HETATM 2093 H1 UFX A 175 -1.044 27.975 6.193 1.00 0.00 H +HETATM 2094 H2 UFX A 175 -0.948 27.667 7.929 1.00 0.00 H +HETATM 2095 H3 UFX A 175 0.273 28.693 7.169 1.00 0.00 H +HETATM 2096 H4 UFX A 175 1.328 26.399 7.477 1.00 0.00 H +HETATM 2097 H5 UFX A 175 -0.072 25.713 6.751 1.00 0.00 H +HETATM 2098 H6 UFX A 175 0.460 27.022 4.567 1.00 0.00 H +HETATM 2099 H7 UFX A 175 1.720 25.877 4.910 1.00 0.00 H +HETATM 2100 H8 UFX A 175 1.880 28.709 5.547 1.00 0.00 H +HETATM 2101 C1 UFX A 176 6.992 2.554 13.919 1.00 0.00 C +HETATM 2102 C2 UFX A 176 6.717 3.877 14.522 1.00 0.00 C +HETATM 2103 C3 UFX A 176 7.326 4.119 15.876 1.00 0.00 C +HETATM 2104 O1 UFX A 176 7.361 5.537 16.181 1.00 0.00 O +HETATM 2105 H1 UFX A 176 6.927 2.477 12.834 1.00 0.00 H +HETATM 2106 H2 UFX A 176 8.051 2.323 14.029 1.00 0.00 H +HETATM 2107 H3 UFX A 176 6.364 1.845 14.458 1.00 0.00 H +HETATM 2108 H4 UFX A 176 7.193 4.634 13.898 1.00 0.00 H +HETATM 2109 H5 UFX A 176 5.656 4.124 14.488 1.00 0.00 H +HETATM 2110 H6 UFX A 176 8.365 3.800 15.962 1.00 0.00 H +HETATM 2111 H7 UFX A 176 6.799 3.518 16.617 1.00 0.00 H +HETATM 2112 H8 UFX A 176 7.747 5.641 17.077 1.00 0.00 H +HETATM 2113 C1 UFX A 177 2.271 12.104 26.172 1.00 0.00 C +HETATM 2114 C2 UFX A 177 1.445 12.878 27.166 1.00 0.00 C +HETATM 2115 C3 UFX A 177 1.055 12.040 28.451 1.00 0.00 C +HETATM 2116 O1 UFX A 177 2.183 11.473 29.075 1.00 0.00 O +HETATM 2117 H1 UFX A 177 2.953 11.424 26.683 1.00 0.00 H +HETATM 2118 H2 UFX A 177 1.593 11.417 25.665 1.00 0.00 H +HETATM 2119 H3 UFX A 177 2.734 12.807 25.480 1.00 0.00 H +HETATM 2120 H4 UFX A 177 2.036 13.754 27.436 1.00 0.00 H +HETATM 2121 H5 UFX A 177 0.607 13.256 26.580 1.00 0.00 H +HETATM 2122 H6 UFX A 177 0.351 11.244 28.206 1.00 0.00 H +HETATM 2123 H7 UFX A 177 0.477 12.623 29.169 1.00 0.00 H +HETATM 2124 H8 UFX A 177 2.369 10.618 28.631 1.00 0.00 H +HETATM 2125 C1 UFX A 178 26.652 24.311 7.671 1.00 0.00 C +HETATM 2126 C2 UFX A 178 26.110 23.001 7.042 1.00 0.00 C +HETATM 2127 C3 UFX A 178 26.942 22.574 5.833 1.00 0.00 C +HETATM 2128 O1 UFX A 178 26.921 23.560 4.759 1.00 0.00 O +HETATM 2129 H1 UFX A 178 25.960 24.700 8.419 1.00 0.00 H +HETATM 2130 H2 UFX A 178 27.569 24.061 8.205 1.00 0.00 H +HETATM 2131 H3 UFX A 178 26.889 25.094 6.951 1.00 0.00 H +HETATM 2132 H4 UFX A 178 26.096 22.169 7.747 1.00 0.00 H +HETATM 2133 H5 UFX A 178 25.062 23.129 6.769 1.00 0.00 H +HETATM 2134 H6 UFX A 178 26.567 21.613 5.480 1.00 0.00 H +HETATM 2135 H7 UFX A 178 27.967 22.278 6.056 1.00 0.00 H +HETATM 2136 H8 UFX A 178 26.042 23.840 4.425 1.00 0.00 H +HETATM 2137 C1 UFX A 179 27.830 16.484 9.740 1.00 0.00 C +HETATM 2138 C2 UFX A 179 26.420 17.028 9.240 1.00 0.00 C +HETATM 2139 C3 UFX A 179 26.394 17.462 7.783 1.00 0.00 C +HETATM 2140 O1 UFX A 179 27.280 18.513 7.714 1.00 0.00 O +HETATM 2141 H1 UFX A 179 28.590 17.256 9.859 1.00 0.00 H +HETATM 2142 H2 UFX A 179 27.651 16.055 10.726 1.00 0.00 H +HETATM 2143 H3 UFX A 179 28.234 15.690 9.113 1.00 0.00 H +HETATM 2144 H4 UFX A 179 25.596 16.320 9.334 1.00 0.00 H +HETATM 2145 H5 UFX A 179 26.172 17.893 9.855 1.00 0.00 H +HETATM 2146 H6 UFX A 179 25.389 17.748 7.471 1.00 0.00 H +HETATM 2147 H7 UFX A 179 26.724 16.668 7.113 1.00 0.00 H +HETATM 2148 H8 UFX A 179 27.026 19.258 8.301 1.00 0.00 H +HETATM 2149 C1 UFX A 180 20.587 -3.797 24.301 1.00 0.00 C +HETATM 2150 C2 UFX A 180 19.133 -3.266 24.530 1.00 0.00 C +HETATM 2151 C3 UFX A 180 18.928 -1.957 23.742 1.00 0.00 C +HETATM 2152 O1 UFX A 180 17.534 -1.670 23.655 1.00 0.00 O +HETATM 2153 H1 UFX A 180 21.380 -3.073 24.490 1.00 0.00 H +HETATM 2154 H2 UFX A 180 20.789 -4.699 24.879 1.00 0.00 H +HETATM 2155 H3 UFX A 180 20.623 -4.033 23.237 1.00 0.00 H +HETATM 2156 H4 UFX A 180 18.395 -3.994 24.193 1.00 0.00 H +HETATM 2157 H5 UFX A 180 18.976 -3.101 25.596 1.00 0.00 H +HETATM 2158 H6 UFX A 180 19.390 -2.022 22.756 1.00 0.00 H +HETATM 2159 H7 UFX A 180 19.314 -1.135 24.345 1.00 0.00 H +HETATM 2160 H8 UFX A 180 17.100 -2.196 22.950 1.00 0.00 H +HETATM 2161 C1 UFX A 181 12.708 15.926 1.539 1.00 0.00 C +HETATM 2162 C2 UFX A 181 13.336 14.509 1.390 1.00 0.00 C +HETATM 2163 C3 UFX A 181 14.938 14.514 1.548 1.00 0.00 C +HETATM 2164 O1 UFX A 181 15.281 14.802 2.928 1.00 0.00 O +HETATM 2165 H1 UFX A 181 12.824 16.291 2.559 1.00 0.00 H +HETATM 2166 H2 UFX A 181 13.223 16.535 0.795 1.00 0.00 H +HETATM 2167 H3 UFX A 181 11.668 15.825 1.227 1.00 0.00 H +HETATM 2168 H4 UFX A 181 12.908 13.926 2.206 1.00 0.00 H +HETATM 2169 H5 UFX A 181 12.984 14.040 0.471 1.00 0.00 H +HETATM 2170 H6 UFX A 181 15.401 15.171 0.811 1.00 0.00 H +HETATM 2171 H7 UFX A 181 15.295 13.526 1.259 1.00 0.00 H +HETATM 2172 H8 UFX A 181 16.227 14.615 3.106 1.00 0.00 H +HETATM 2173 C1 UFX A 182 20.719 26.806 19.174 1.00 0.00 C +HETATM 2174 C2 UFX A 182 20.404 25.352 18.768 1.00 0.00 C +HETATM 2175 C3 UFX A 182 19.693 24.517 19.897 1.00 0.00 C +HETATM 2176 O1 UFX A 182 20.449 24.479 21.077 1.00 0.00 O +HETATM 2177 H1 UFX A 182 21.405 27.174 18.410 1.00 0.00 H +HETATM 2178 H2 UFX A 182 19.847 27.459 19.175 1.00 0.00 H +HETATM 2179 H3 UFX A 182 21.256 26.857 20.121 1.00 0.00 H +HETATM 2180 H4 UFX A 182 19.823 25.324 17.845 1.00 0.00 H +HETATM 2181 H5 UFX A 182 21.333 24.799 18.629 1.00 0.00 H +HETATM 2182 H6 UFX A 182 19.529 23.541 19.440 1.00 0.00 H +HETATM 2183 H7 UFX A 182 18.713 24.903 20.178 1.00 0.00 H +HETATM 2184 H8 UFX A 182 20.009 24.002 21.812 1.00 0.00 H +HETATM 2185 C1 UFX A 183 16.873 26.612 17.629 1.00 0.00 C +HETATM 2186 C2 UFX A 183 16.296 25.869 16.482 1.00 0.00 C +HETATM 2187 C3 UFX A 183 14.783 26.014 16.373 1.00 0.00 C +HETATM 2188 O1 UFX A 183 14.327 27.358 16.337 1.00 0.00 O +HETATM 2189 H1 UFX A 183 17.908 26.313 17.795 1.00 0.00 H +HETATM 2190 H2 UFX A 183 16.953 27.685 17.452 1.00 0.00 H +HETATM 2191 H3 UFX A 183 16.290 26.549 18.548 1.00 0.00 H +HETATM 2192 H4 UFX A 183 16.842 26.161 15.584 1.00 0.00 H +HETATM 2193 H5 UFX A 183 16.417 24.788 16.555 1.00 0.00 H +HETATM 2194 H6 UFX A 183 14.230 25.455 17.128 1.00 0.00 H +HETATM 2195 H7 UFX A 183 14.471 25.517 15.454 1.00 0.00 H +HETATM 2196 H8 UFX A 183 13.365 27.378 16.143 1.00 0.00 H +HETATM 2197 C1 UFX A 184 18.579 15.942 7.132 1.00 0.00 C +HETATM 2198 C2 UFX A 184 19.500 16.965 6.547 1.00 0.00 C +HETATM 2199 C3 UFX A 184 18.925 17.493 5.213 1.00 0.00 C +HETATM 2200 O1 UFX A 184 19.489 16.702 4.230 1.00 0.00 O +HETATM 2201 H1 UFX A 184 18.545 15.042 6.517 1.00 0.00 H +HETATM 2202 H2 UFX A 184 18.938 15.582 8.096 1.00 0.00 H +HETATM 2203 H3 UFX A 184 17.568 16.283 7.354 1.00 0.00 H +HETATM 2204 H4 UFX A 184 19.577 17.789 7.257 1.00 0.00 H +HETATM 2205 H5 UFX A 184 20.529 16.625 6.429 1.00 0.00 H +HETATM 2206 H6 UFX A 184 19.200 18.535 5.049 1.00 0.00 H +HETATM 2207 H7 UFX A 184 17.840 17.473 5.113 1.00 0.00 H +HETATM 2208 H8 UFX A 184 19.353 17.124 3.355 1.00 0.00 H +HETATM 2209 C1 UFX A 185 -3.483 9.939 17.421 1.00 0.00 C +HETATM 2210 C2 UFX A 185 -4.239 10.972 16.675 1.00 0.00 C +HETATM 2211 C3 UFX A 185 -3.263 11.990 16.065 1.00 0.00 C +HETATM 2212 O1 UFX A 185 -4.051 13.033 15.498 1.00 0.00 O +HETATM 2213 H1 UFX A 185 -2.792 10.458 18.086 1.00 0.00 H +HETATM 2214 H2 UFX A 185 -4.138 9.309 18.023 1.00 0.00 H +HETATM 2215 H3 UFX A 185 -2.921 9.256 16.783 1.00 0.00 H +HETATM 2216 H4 UFX A 185 -4.870 10.592 15.871 1.00 0.00 H +HETATM 2217 H5 UFX A 185 -4.801 11.563 17.398 1.00 0.00 H +HETATM 2218 H6 UFX A 185 -2.560 11.580 15.340 1.00 0.00 H +HETATM 2219 H7 UFX A 185 -2.719 12.448 16.892 1.00 0.00 H +HETATM 2220 H8 UFX A 185 -3.465 13.805 15.342 1.00 0.00 H +HETATM 2221 C1 UFX A 186 24.750 32.247 26.989 1.00 0.00 C +HETATM 2222 C2 UFX A 186 23.873 31.551 25.878 1.00 0.00 C +HETATM 2223 C3 UFX A 186 22.632 30.918 26.486 1.00 0.00 C +HETATM 2224 O1 UFX A 186 22.969 29.828 27.395 1.00 0.00 O +HETATM 2225 H1 UFX A 186 25.704 32.582 26.582 1.00 0.00 H +HETATM 2226 H2 UFX A 186 24.192 33.094 27.389 1.00 0.00 H +HETATM 2227 H3 UFX A 186 24.828 31.503 27.782 1.00 0.00 H +HETATM 2228 H4 UFX A 186 23.575 32.248 25.094 1.00 0.00 H +HETATM 2229 H5 UFX A 186 24.499 30.758 25.469 1.00 0.00 H +HETATM 2230 H6 UFX A 186 22.027 30.478 25.693 1.00 0.00 H +HETATM 2231 H7 UFX A 186 22.021 31.712 26.915 1.00 0.00 H +HETATM 2232 H8 UFX A 186 22.232 29.486 27.944 1.00 0.00 H +HETATM 2233 C1 UFX A 187 6.209 4.344 10.414 1.00 0.00 C +HETATM 2234 C2 UFX A 187 6.962 5.475 11.114 1.00 0.00 C +HETATM 2235 C3 UFX A 187 6.831 6.846 10.492 1.00 0.00 C +HETATM 2236 O1 UFX A 187 7.706 7.734 11.315 1.00 0.00 O +HETATM 2237 H1 UFX A 187 6.465 3.344 10.764 1.00 0.00 H +HETATM 2238 H2 UFX A 187 5.137 4.530 10.475 1.00 0.00 H +HETATM 2239 H3 UFX A 187 6.477 4.275 9.359 1.00 0.00 H +HETATM 2240 H4 UFX A 187 6.510 5.571 12.101 1.00 0.00 H +HETATM 2241 H5 UFX A 187 8.017 5.215 11.207 1.00 0.00 H +HETATM 2242 H6 UFX A 187 5.820 7.227 10.639 1.00 0.00 H +HETATM 2243 H7 UFX A 187 7.146 6.893 9.450 1.00 0.00 H +HETATM 2244 H8 UFX A 187 7.540 7.581 12.269 1.00 0.00 H +HETATM 2245 C1 UFX A 188 -5.425 20.413 1.764 1.00 0.00 C +HETATM 2246 C2 UFX A 188 -4.115 20.339 2.606 1.00 0.00 C +HETATM 2247 C3 UFX A 188 -3.205 19.228 2.064 1.00 0.00 C +HETATM 2248 O1 UFX A 188 -1.974 19.381 2.793 1.00 0.00 O +HETATM 2249 H1 UFX A 188 -6.128 21.208 2.017 1.00 0.00 H +HETATM 2250 H2 UFX A 188 -5.077 20.546 0.740 1.00 0.00 H +HETATM 2251 H3 UFX A 188 -5.884 19.427 1.835 1.00 0.00 H +HETATM 2252 H4 UFX A 188 -3.547 21.268 2.537 1.00 0.00 H +HETATM 2253 H5 UFX A 188 -4.332 20.048 3.634 1.00 0.00 H +HETATM 2254 H6 UFX A 188 -3.003 19.482 1.023 1.00 0.00 H +HETATM 2255 H7 UFX A 188 -3.550 18.199 2.173 1.00 0.00 H +HETATM 2256 H8 UFX A 188 -2.007 19.015 3.703 1.00 0.00 H +HETATM 2257 C1 UFX A 189 10.862 13.056 24.614 1.00 0.00 C +HETATM 2258 C2 UFX A 189 9.567 12.588 23.994 1.00 0.00 C +HETATM 2259 C3 UFX A 189 9.145 13.266 22.686 1.00 0.00 C +HETATM 2260 O1 UFX A 189 8.144 12.454 22.138 1.00 0.00 O +HETATM 2261 H1 UFX A 189 10.996 12.513 25.550 1.00 0.00 H +HETATM 2262 H2 UFX A 189 11.636 12.861 23.871 1.00 0.00 H +HETATM 2263 H3 UFX A 189 10.803 14.110 24.887 1.00 0.00 H +HETATM 2264 H4 UFX A 189 9.798 11.559 23.718 1.00 0.00 H +HETATM 2265 H5 UFX A 189 8.799 12.634 24.766 1.00 0.00 H +HETATM 2266 H6 UFX A 189 9.942 13.297 21.943 1.00 0.00 H +HETATM 2267 H7 UFX A 189 8.737 14.268 22.818 1.00 0.00 H +HETATM 2268 H8 UFX A 189 7.376 12.302 22.729 1.00 0.00 H +HETATM 2269 C1 UFX A 190 23.618 7.407 15.741 1.00 0.00 C +HETATM 2270 C2 UFX A 190 22.110 7.273 15.944 1.00 0.00 C +HETATM 2271 C3 UFX A 190 21.358 8.321 15.078 1.00 0.00 C +HETATM 2272 O1 UFX A 190 21.632 9.623 15.415 1.00 0.00 O +HETATM 2273 H1 UFX A 190 23.968 8.395 16.038 1.00 0.00 H +HETATM 2274 H2 UFX A 190 24.102 6.690 16.404 1.00 0.00 H +HETATM 2275 H3 UFX A 190 23.862 7.287 14.685 1.00 0.00 H +HETATM 2276 H4 UFX A 190 21.715 6.316 15.603 1.00 0.00 H +HETATM 2277 H5 UFX A 190 21.872 7.312 17.007 1.00 0.00 H +HETATM 2278 H6 UFX A 190 20.293 8.149 15.234 1.00 0.00 H +HETATM 2279 H7 UFX A 190 21.618 8.085 14.045 1.00 0.00 H +HETATM 2280 H8 UFX A 190 21.312 9.792 16.327 1.00 0.00 H +HETATM 2281 C1 UFX A 191 -0.277 23.083 4.255 1.00 0.00 C +HETATM 2282 C2 UFX A 191 -0.713 24.430 3.438 1.00 0.00 C +HETATM 2283 C3 UFX A 191 -1.907 24.193 2.411 1.00 0.00 C +HETATM 2284 O1 UFX A 191 -2.313 25.458 1.989 1.00 0.00 O +HETATM 2285 H1 UFX A 191 -1.081 22.788 4.930 1.00 0.00 H +HETATM 2286 H2 UFX A 191 -0.170 22.247 3.563 1.00 0.00 H +HETATM 2287 H3 UFX A 191 0.616 23.232 4.862 1.00 0.00 H +HETATM 2288 H4 UFX A 191 -1.086 25.166 4.151 1.00 0.00 H +HETATM 2289 H5 UFX A 191 0.147 24.776 2.864 1.00 0.00 H +HETATM 2290 H6 UFX A 191 -2.779 23.738 2.882 1.00 0.00 H +HETATM 2291 H7 UFX A 191 -1.564 23.469 1.671 1.00 0.00 H +HETATM 2292 H8 UFX A 191 -2.578 26.039 2.734 1.00 0.00 H +HETATM 2293 C1 UFX A 192 25.457 12.706 10.935 1.00 0.00 C +HETATM 2294 C2 UFX A 192 25.709 11.213 10.703 1.00 0.00 C +HETATM 2295 C3 UFX A 192 24.512 10.440 9.979 1.00 0.00 C +HETATM 2296 O1 UFX A 192 23.249 10.635 10.540 1.00 0.00 O +HETATM 2297 H1 UFX A 192 24.453 12.848 11.335 1.00 0.00 H +HETATM 2298 H2 UFX A 192 26.189 13.146 11.612 1.00 0.00 H +HETATM 2299 H3 UFX A 192 25.478 13.289 10.013 1.00 0.00 H +HETATM 2300 H4 UFX A 192 26.679 10.942 10.288 1.00 0.00 H +HETATM 2301 H5 UFX A 192 25.710 10.748 11.689 1.00 0.00 H +HETATM 2302 H6 UFX A 192 24.705 9.367 10.004 1.00 0.00 H +HETATM 2303 H7 UFX A 192 24.537 10.824 8.959 1.00 0.00 H +HETATM 2304 H8 UFX A 192 23.320 10.619 11.519 1.00 0.00 H +HETATM 2305 C1 UFX A 193 25.607 18.430 25.429 1.00 0.00 C +HETATM 2306 C2 UFX A 193 25.158 19.608 26.130 1.00 0.00 C +HETATM 2307 C3 UFX A 193 26.291 20.366 26.837 1.00 0.00 C +HETATM 2308 O1 UFX A 193 27.049 19.471 27.574 1.00 0.00 O +HETATM 2309 H1 UFX A 193 26.077 17.719 26.109 1.00 0.00 H +HETATM 2310 H2 UFX A 193 24.729 17.921 25.031 1.00 0.00 H +HETATM 2311 H3 UFX A 193 26.301 18.632 24.613 1.00 0.00 H +HETATM 2312 H4 UFX A 193 24.592 20.230 25.437 1.00 0.00 H +HETATM 2313 H5 UFX A 193 24.398 19.290 26.843 1.00 0.00 H +HETATM 2314 H6 UFX A 193 25.926 21.121 27.532 1.00 0.00 H +HETATM 2315 H7 UFX A 193 27.018 20.804 26.152 1.00 0.00 H +HETATM 2316 H8 UFX A 193 27.914 19.886 27.782 1.00 0.00 H +HETATM 2317 C1 UFX A 194 6.941 16.076 20.762 1.00 0.00 C +HETATM 2318 C2 UFX A 194 7.595 17.176 21.596 1.00 0.00 C +HETATM 2319 C3 UFX A 194 7.142 18.463 21.038 1.00 0.00 C +HETATM 2320 O1 UFX A 194 7.786 19.519 21.724 1.00 0.00 O +HETATM 2321 H1 UFX A 194 5.874 16.239 20.605 1.00 0.00 H +HETATM 2322 H2 UFX A 194 7.344 16.160 19.753 1.00 0.00 H +HETATM 2323 H3 UFX A 194 7.271 15.077 21.046 1.00 0.00 H +HETATM 2324 H4 UFX A 194 7.295 17.091 22.641 1.00 0.00 H +HETATM 2325 H5 UFX A 194 8.673 17.094 21.450 1.00 0.00 H +HETATM 2326 H6 UFX A 194 6.066 18.494 21.205 1.00 0.00 H +HETATM 2327 H7 UFX A 194 7.282 18.499 19.958 1.00 0.00 H +HETATM 2328 H8 UFX A 194 7.237 20.321 21.593 1.00 0.00 H +HETATM 2329 C1 UFX A 195 -4.316 14.959 20.758 1.00 0.00 C +HETATM 2330 C2 UFX A 195 -5.319 14.574 19.683 1.00 0.00 C +HETATM 2331 C3 UFX A 195 -4.673 14.655 18.347 1.00 0.00 C +HETATM 2332 O1 UFX A 195 -5.586 14.336 17.348 1.00 0.00 O +HETATM 2333 H1 UFX A 195 -4.855 15.147 21.687 1.00 0.00 H +HETATM 2334 H2 UFX A 195 -3.497 14.254 20.901 1.00 0.00 H +HETATM 2335 H3 UFX A 195 -3.970 15.972 20.554 1.00 0.00 H +HETATM 2336 H4 UFX A 195 -5.713 13.561 19.772 1.00 0.00 H +HETATM 2337 H5 UFX A 195 -6.187 15.230 19.743 1.00 0.00 H +HETATM 2338 H6 UFX A 195 -3.925 13.866 18.267 1.00 0.00 H +HETATM 2339 H7 UFX A 195 -4.215 15.641 18.258 1.00 0.00 H +HETATM 2340 H8 UFX A 195 -5.215 13.812 16.607 1.00 0.00 H +HETATM 2341 C1 UFX A 196 5.121 27.196 0.090 1.00 0.00 C +HETATM 2342 C2 UFX A 196 4.033 28.000 0.827 1.00 0.00 C +HETATM 2343 C3 UFX A 196 3.330 27.132 1.796 1.00 0.00 C +HETATM 2344 O1 UFX A 196 2.711 25.935 1.190 1.00 0.00 O +HETATM 2345 H1 UFX A 196 5.469 27.788 -0.756 1.00 0.00 H +HETATM 2346 H2 UFX A 196 5.925 26.980 0.794 1.00 0.00 H +HETATM 2347 H3 UFX A 196 4.833 26.210 -0.274 1.00 0.00 H +HETATM 2348 H4 UFX A 196 4.322 28.954 1.267 1.00 0.00 H +HETATM 2349 H5 UFX A 196 3.366 28.269 0.008 1.00 0.00 H +HETATM 2350 H6 UFX A 196 2.475 27.655 2.225 1.00 0.00 H +HETATM 2351 H7 UFX A 196 4.061 26.865 2.560 1.00 0.00 H +HETATM 2352 H8 UFX A 196 2.078 26.223 0.498 1.00 0.00 H +HETATM 2353 C1 UFX A 197 10.915 2.059 16.992 1.00 0.00 C +HETATM 2354 C2 UFX A 197 10.160 2.326 18.333 1.00 0.00 C +HETATM 2355 C3 UFX A 197 10.948 3.334 19.216 1.00 0.00 C +HETATM 2356 O1 UFX A 197 11.281 4.532 18.448 1.00 0.00 O +HETATM 2357 H1 UFX A 197 10.338 1.389 16.354 1.00 0.00 H +HETATM 2358 H2 UFX A 197 11.102 2.970 16.423 1.00 0.00 H +HETATM 2359 H3 UFX A 197 11.887 1.602 17.177 1.00 0.00 H +HETATM 2360 H4 UFX A 197 9.120 2.603 18.164 1.00 0.00 H +HETATM 2361 H5 UFX A 197 10.066 1.361 18.831 1.00 0.00 H +HETATM 2362 H6 UFX A 197 11.834 2.837 19.610 1.00 0.00 H +HETATM 2363 H7 UFX A 197 10.305 3.597 20.056 1.00 0.00 H +HETATM 2364 H8 UFX A 197 11.930 4.326 17.742 1.00 0.00 H +HETATM 2365 C1 UFX A 198 11.184 31.091 3.037 1.00 0.00 C +HETATM 2366 C2 UFX A 198 12.039 30.330 4.017 1.00 0.00 C +HETATM 2367 C3 UFX A 198 11.792 28.747 3.988 1.00 0.00 C +HETATM 2368 O1 UFX A 198 12.379 28.071 2.893 1.00 0.00 O +HETATM 2369 H1 UFX A 198 10.121 30.875 3.148 1.00 0.00 H +HETATM 2370 H2 UFX A 198 11.225 32.153 3.281 1.00 0.00 H +HETATM 2371 H3 UFX A 198 11.413 30.785 2.016 1.00 0.00 H +HETATM 2372 H4 UFX A 198 13.096 30.497 3.807 1.00 0.00 H +HETATM 2373 H5 UFX A 198 11.933 30.752 5.017 1.00 0.00 H +HETATM 2374 H6 UFX A 198 10.716 28.610 4.095 1.00 0.00 H +HETATM 2375 H7 UFX A 198 12.243 28.381 4.911 1.00 0.00 H +HETATM 2376 H8 UFX A 198 12.133 27.121 2.893 1.00 0.00 H +HETATM 2377 C1 UFX A 199 18.061 21.812 6.075 1.00 0.00 C +HETATM 2378 C2 UFX A 199 16.668 21.715 6.783 1.00 0.00 C +HETATM 2379 C3 UFX A 199 16.080 20.290 6.683 1.00 0.00 C +HETATM 2380 O1 UFX A 199 15.670 19.844 5.350 1.00 0.00 O +HETATM 2381 H1 UFX A 199 18.355 22.862 6.106 1.00 0.00 H +HETATM 2382 H2 UFX A 199 18.806 21.278 6.665 1.00 0.00 H +HETATM 2383 H3 UFX A 199 18.094 21.525 5.024 1.00 0.00 H +HETATM 2384 H4 UFX A 199 16.797 21.972 7.834 1.00 0.00 H +HETATM 2385 H5 UFX A 199 16.049 22.480 6.313 1.00 0.00 H +HETATM 2386 H6 UFX A 199 15.148 20.319 7.248 1.00 0.00 H +HETATM 2387 H7 UFX A 199 16.748 19.520 7.068 1.00 0.00 H +HETATM 2388 H8 UFX A 199 15.419 18.896 5.369 1.00 0.00 H +HETATM 2389 C1 UFX A 200 2.678 9.746 17.660 1.00 0.00 C +HETATM 2390 C2 UFX A 200 2.657 10.323 19.052 1.00 0.00 C +HETATM 2391 C3 UFX A 200 3.255 9.348 20.026 1.00 0.00 C +HETATM 2392 O1 UFX A 200 4.691 9.098 19.816 1.00 0.00 O +HETATM 2393 H1 UFX A 200 2.309 10.516 16.983 1.00 0.00 H +HETATM 2394 H2 UFX A 200 3.629 9.324 17.336 1.00 0.00 H +HETATM 2395 H3 UFX A 200 2.034 8.867 17.657 1.00 0.00 H +HETATM 2396 H4 UFX A 200 3.236 11.247 19.070 1.00 0.00 H +HETATM 2397 H5 UFX A 200 1.626 10.516 19.349 1.00 0.00 H +HETATM 2398 H6 UFX A 200 2.686 8.419 19.988 1.00 0.00 H +HETATM 2399 H7 UFX A 200 3.157 9.786 21.019 1.00 0.00 H +HETATM 2400 H8 UFX A 200 5.228 9.919 19.834 1.00 0.00 H +HETATM 2401 C1 UFX A 201 12.163 21.431 9.095 1.00 0.00 C +HETATM 2402 C2 UFX A 201 13.438 21.240 9.944 1.00 0.00 C +HETATM 2403 C3 UFX A 201 13.761 22.586 10.712 1.00 0.00 C +HETATM 2404 O1 UFX A 201 14.353 23.462 9.855 1.00 0.00 O +HETATM 2405 H1 UFX A 201 11.883 20.527 8.555 1.00 0.00 H +HETATM 2406 H2 UFX A 201 11.460 21.933 9.761 1.00 0.00 H +HETATM 2407 H3 UFX A 201 12.392 22.229 8.388 1.00 0.00 H +HETATM 2408 H4 UFX A 201 13.360 20.377 10.606 1.00 0.00 H +HETATM 2409 H5 UFX A 201 14.269 20.936 9.306 1.00 0.00 H +HETATM 2410 H6 UFX A 201 14.434 22.388 11.546 1.00 0.00 H +HETATM 2411 H7 UFX A 201 12.882 23.129 11.060 1.00 0.00 H +HETATM 2412 H8 UFX A 201 14.627 24.289 10.307 1.00 0.00 H +HETATM 2413 C1 UFX A 202 40.773 26.830 21.952 1.00 0.00 C +HETATM 2414 C2 UFX A 202 40.389 25.758 22.972 1.00 0.00 C +HETATM 2415 C3 UFX A 202 41.502 24.796 23.190 1.00 0.00 C +HETATM 2416 O1 UFX A 202 42.563 25.486 23.824 1.00 0.00 O +HETATM 2417 H1 UFX A 202 40.026 27.623 21.984 1.00 0.00 H +HETATM 2418 H2 UFX A 202 41.670 27.357 22.277 1.00 0.00 H +HETATM 2419 H3 UFX A 202 40.999 26.508 20.935 1.00 0.00 H +HETATM 2420 H4 UFX A 202 40.084 26.201 23.920 1.00 0.00 H +HETATM 2421 H5 UFX A 202 39.638 25.151 22.467 1.00 0.00 H +HETATM 2422 H6 UFX A 202 41.825 24.375 22.237 1.00 0.00 H +HETATM 2423 H7 UFX A 202 41.120 24.016 23.848 1.00 0.00 H +HETATM 2424 H8 UFX A 202 42.180 25.956 24.595 1.00 0.00 H +HETATM 2425 C1 UFX A 203 4.387 -6.230 7.784 1.00 0.00 C +HETATM 2426 C2 UFX A 203 4.841 -5.283 8.875 1.00 0.00 C +HETATM 2427 C3 UFX A 203 5.251 -3.918 8.413 1.00 0.00 C +HETATM 2428 O1 UFX A 203 5.910 -3.250 9.446 1.00 0.00 O +HETATM 2429 H1 UFX A 203 4.169 -7.211 8.205 1.00 0.00 H +HETATM 2430 H2 UFX A 203 3.492 -5.823 7.313 1.00 0.00 H +HETATM 2431 H3 UFX A 203 5.212 -6.392 7.091 1.00 0.00 H +HETATM 2432 H4 UFX A 203 4.023 -5.082 9.567 1.00 0.00 H +HETATM 2433 H5 UFX A 203 5.705 -5.663 9.422 1.00 0.00 H +HETATM 2434 H6 UFX A 203 4.330 -3.400 8.145 1.00 0.00 H +HETATM 2435 H7 UFX A 203 5.844 -3.941 7.499 1.00 0.00 H +HETATM 2436 H8 UFX A 203 5.282 -3.030 10.167 1.00 0.00 H +HETATM 2437 C1 UFX A 204 6.427 10.814 10.078 1.00 0.00 C +HETATM 2438 C2 UFX A 204 6.596 12.072 9.129 1.00 0.00 C +HETATM 2439 C3 UFX A 204 7.993 12.143 8.483 1.00 0.00 C +HETATM 2440 O1 UFX A 204 8.903 12.460 9.538 1.00 0.00 O +HETATM 2441 H1 UFX A 204 5.359 10.607 10.155 1.00 0.00 H +HETATM 2442 H2 UFX A 204 6.774 9.910 9.578 1.00 0.00 H +HETATM 2443 H3 UFX A 204 6.875 10.816 11.071 1.00 0.00 H +HETATM 2444 H4 UFX A 204 5.943 11.965 8.263 1.00 0.00 H +HETATM 2445 H5 UFX A 204 6.406 13.078 9.506 1.00 0.00 H +HETATM 2446 H6 UFX A 204 8.063 12.912 7.713 1.00 0.00 H +HETATM 2447 H7 UFX A 204 8.189 11.203 7.967 1.00 0.00 H +HETATM 2448 H8 UFX A 204 9.825 12.517 9.209 1.00 0.00 H +HETATM 2449 C1 UFX A 205 13.871 16.201 10.117 1.00 0.00 C +HETATM 2450 C2 UFX A 205 12.401 16.501 10.239 1.00 0.00 C +HETATM 2451 C3 UFX A 205 11.639 15.686 11.209 1.00 0.00 C +HETATM 2452 O1 UFX A 205 11.659 14.315 10.845 1.00 0.00 O +HETATM 2453 H1 UFX A 205 14.418 16.928 9.517 1.00 0.00 H +HETATM 2454 H2 UFX A 205 14.316 16.220 11.112 1.00 0.00 H +HETATM 2455 H3 UFX A 205 13.901 15.183 9.727 1.00 0.00 H +HETATM 2456 H4 UFX A 205 12.326 17.525 10.605 1.00 0.00 H +HETATM 2457 H5 UFX A 205 11.998 16.420 9.229 1.00 0.00 H +HETATM 2458 H6 UFX A 205 10.582 15.950 11.236 1.00 0.00 H +HETATM 2459 H7 UFX A 205 12.021 15.801 12.224 1.00 0.00 H +HETATM 2460 H8 UFX A 205 11.416 13.690 11.561 1.00 0.00 H +HETATM 2461 C1 UFX A 206 6.043 15.298 30.557 1.00 0.00 C +HETATM 2462 C2 UFX A 206 4.520 15.479 30.277 1.00 0.00 C +HETATM 2463 C3 UFX A 206 3.715 14.247 30.372 1.00 0.00 C +HETATM 2464 O1 UFX A 206 3.989 13.423 29.251 1.00 0.00 O +HETATM 2465 H1 UFX A 206 6.187 14.849 31.540 1.00 0.00 H +HETATM 2466 H2 UFX A 206 6.459 14.611 29.821 1.00 0.00 H +HETATM 2467 H3 UFX A 206 6.547 16.264 30.518 1.00 0.00 H +HETATM 2468 H4 UFX A 206 4.181 16.199 31.022 1.00 0.00 H +HETATM 2469 H5 UFX A 206 4.331 15.860 29.274 1.00 0.00 H +HETATM 2470 H6 UFX A 206 2.670 14.559 30.367 1.00 0.00 H +HETATM 2471 H7 UFX A 206 3.955 13.754 31.315 1.00 0.00 H +HETATM 2472 H8 UFX A 206 3.456 12.599 29.267 1.00 0.00 H +HETATM 2473 C1 UFX A 207 5.878 17.880 25.711 1.00 0.00 C +HETATM 2474 C2 UFX A 207 6.632 16.546 25.702 1.00 0.00 C +HETATM 2475 C3 UFX A 207 6.216 15.595 26.818 1.00 0.00 C +HETATM 2476 O1 UFX A 207 4.761 15.273 26.678 1.00 0.00 O +HETATM 2477 H1 UFX A 207 6.154 18.379 24.782 1.00 0.00 H +HETATM 2478 H2 UFX A 207 4.797 17.782 25.612 1.00 0.00 H +HETATM 2479 H3 UFX A 207 6.248 18.542 26.494 1.00 0.00 H +HETATM 2480 H4 UFX A 207 6.490 16.041 24.747 1.00 0.00 H +HETATM 2481 H5 UFX A 207 7.688 16.707 25.922 1.00 0.00 H +HETATM 2482 H6 UFX A 207 6.427 16.084 27.769 1.00 0.00 H +HETATM 2483 H7 UFX A 207 6.780 14.665 26.740 1.00 0.00 H +HETATM 2484 H8 UFX A 207 4.431 14.866 27.508 1.00 0.00 H +HETATM 2485 C1 UFX A 208 1.931 18.851 5.744 1.00 0.00 C +HETATM 2486 C2 UFX A 208 3.396 18.723 5.404 1.00 0.00 C +HETATM 2487 C3 UFX A 208 4.396 19.325 6.419 1.00 0.00 C +HETATM 2488 O1 UFX A 208 4.139 20.726 6.344 1.00 0.00 O +HETATM 2489 H1 UFX A 208 1.805 18.442 6.747 1.00 0.00 H +HETATM 2490 H2 UFX A 208 1.596 19.884 5.645 1.00 0.00 H +HETATM 2491 H3 UFX A 208 1.442 18.226 4.997 1.00 0.00 H +HETATM 2492 H4 UFX A 208 3.619 17.666 5.259 1.00 0.00 H +HETATM 2493 H5 UFX A 208 3.560 19.140 4.410 1.00 0.00 H +HETATM 2494 H6 UFX A 208 5.431 19.176 6.113 1.00 0.00 H +HETATM 2495 H7 UFX A 208 4.106 18.847 7.354 1.00 0.00 H +HETATM 2496 H8 UFX A 208 4.292 21.084 5.443 1.00 0.00 H +HETATM 2497 C1 UFX A 209 12.582 32.939 10.951 1.00 0.00 C +HETATM 2498 C2 UFX A 209 11.821 34.292 11.273 1.00 0.00 C +HETATM 2499 C3 UFX A 209 10.330 34.327 11.120 1.00 0.00 C +HETATM 2500 O1 UFX A 209 9.962 34.041 9.713 1.00 0.00 O +HETATM 2501 H1 UFX A 209 12.258 32.136 11.613 1.00 0.00 H +HETATM 2502 H2 UFX A 209 12.365 32.663 9.918 1.00 0.00 H +HETATM 2503 H3 UFX A 209 13.657 33.036 11.104 1.00 0.00 H +HETATM 2504 H4 UFX A 209 12.103 34.680 12.252 1.00 0.00 H +HETATM 2505 H5 UFX A 209 12.242 34.995 10.553 1.00 0.00 H +HETATM 2506 H6 UFX A 209 10.007 35.346 11.334 1.00 0.00 H +HETATM 2507 H7 UFX A 209 9.946 33.636 11.870 1.00 0.00 H +HETATM 2508 H8 UFX A 209 10.129 34.809 9.126 1.00 0.00 H +HETATM 2509 C1 UFX A 210 22.113 21.944 23.023 1.00 0.00 C +HETATM 2510 C2 UFX A 210 23.343 21.534 22.213 1.00 0.00 C +HETATM 2511 C3 UFX A 210 23.047 21.625 20.764 1.00 0.00 C +HETATM 2512 O1 UFX A 210 22.948 22.993 20.337 1.00 0.00 O +HETATM 2513 H1 UFX A 210 21.848 22.932 22.645 1.00 0.00 H +HETATM 2514 H2 UFX A 210 21.284 21.279 22.779 1.00 0.00 H +HETATM 2515 H3 UFX A 210 22.321 21.939 24.093 1.00 0.00 H +HETATM 2516 H4 UFX A 210 24.153 22.193 22.527 1.00 0.00 H +HETATM 2517 H5 UFX A 210 23.636 20.510 22.443 1.00 0.00 H +HETATM 2518 H6 UFX A 210 22.127 21.072 20.574 1.00 0.00 H +HETATM 2519 H7 UFX A 210 23.767 21.039 20.193 1.00 0.00 H +HETATM 2520 H8 UFX A 210 22.186 23.430 20.775 1.00 0.00 H +HETATM 2521 C1 UFX A 211 0.254 -0.187 11.347 1.00 0.00 C +HETATM 2522 C2 UFX A 211 -0.565 -1.332 10.669 1.00 0.00 C +HETATM 2523 C3 UFX A 211 0.222 -2.585 10.507 1.00 0.00 C +HETATM 2524 O1 UFX A 211 1.309 -2.539 9.652 1.00 0.00 O +HETATM 2525 H1 UFX A 211 0.975 -0.588 12.060 1.00 0.00 H +HETATM 2526 H2 UFX A 211 0.764 0.391 10.576 1.00 0.00 H +HETATM 2527 H3 UFX A 211 -0.393 0.575 11.781 1.00 0.00 H +HETATM 2528 H4 UFX A 211 -1.383 -1.643 11.318 1.00 0.00 H +HETATM 2529 H5 UFX A 211 -0.878 -0.995 9.681 1.00 0.00 H +HETATM 2530 H6 UFX A 211 -0.451 -3.404 10.254 1.00 0.00 H +HETATM 2531 H7 UFX A 211 0.486 -2.972 11.492 1.00 0.00 H +HETATM 2532 H8 UFX A 211 1.078 -2.400 8.709 1.00 0.00 H +HETATM 2533 C1 UFX A 212 21.537 20.097 2.457 1.00 0.00 C +HETATM 2534 C2 UFX A 212 21.004 21.140 1.446 1.00 0.00 C +HETATM 2535 C3 UFX A 212 19.571 20.820 1.088 1.00 0.00 C +HETATM 2536 O1 UFX A 212 19.399 19.832 0.068 1.00 0.00 O +HETATM 2537 H1 UFX A 212 21.074 20.116 3.443 1.00 0.00 H +HETATM 2538 H2 UFX A 212 21.543 19.150 1.917 1.00 0.00 H +HETATM 2539 H3 UFX A 212 22.588 20.288 2.674 1.00 0.00 H +HETATM 2540 H4 UFX A 212 21.042 22.152 1.850 1.00 0.00 H +HETATM 2541 H5 UFX A 212 21.611 21.136 0.541 1.00 0.00 H +HETATM 2542 H6 UFX A 212 19.071 21.750 0.817 1.00 0.00 H +HETATM 2543 H7 UFX A 212 19.005 20.544 1.978 1.00 0.00 H +HETATM 2544 H8 UFX A 212 20.051 19.927 -0.658 1.00 0.00 H +HETATM 2545 C1 UFX A 213 14.120 30.964 0.593 1.00 0.00 C +HETATM 2546 C2 UFX A 213 15.244 29.935 0.662 1.00 0.00 C +HETATM 2547 C3 UFX A 213 14.864 28.669 -0.192 1.00 0.00 C +HETATM 2548 O1 UFX A 213 13.663 28.084 0.378 1.00 0.00 O +HETATM 2549 H1 UFX A 213 13.139 30.506 0.726 1.00 0.00 H +HETATM 2550 H2 UFX A 213 14.251 31.789 1.293 1.00 0.00 H +HETATM 2551 H3 UFX A 213 14.112 31.323 -0.437 1.00 0.00 H +HETATM 2552 H4 UFX A 213 16.173 30.382 0.307 1.00 0.00 H +HETATM 2553 H5 UFX A 213 15.330 29.678 1.718 1.00 0.00 H +HETATM 2554 H6 UFX A 213 15.696 27.983 -0.032 1.00 0.00 H +HETATM 2555 H7 UFX A 213 14.762 28.832 -1.264 1.00 0.00 H +HETATM 2556 H8 UFX A 213 13.652 28.132 1.357 1.00 0.00 H +HETATM 2557 C1 UFX A 214 27.900 26.563 26.805 1.00 0.00 C +HETATM 2558 C2 UFX A 214 27.629 27.381 28.021 1.00 0.00 C +HETATM 2559 C3 UFX A 214 26.817 28.697 27.602 1.00 0.00 C +HETATM 2560 O1 UFX A 214 25.547 28.448 27.020 1.00 0.00 O +HETATM 2561 H1 UFX A 214 28.570 25.730 27.017 1.00 0.00 H +HETATM 2562 H2 UFX A 214 26.999 26.179 26.328 1.00 0.00 H +HETATM 2563 H3 UFX A 214 28.343 27.275 26.109 1.00 0.00 H +HETATM 2564 H4 UFX A 214 27.141 26.743 28.760 1.00 0.00 H +HETATM 2565 H5 UFX A 214 28.570 27.796 28.381 1.00 0.00 H +HETATM 2566 H6 UFX A 214 27.446 29.280 26.928 1.00 0.00 H +HETATM 2567 H7 UFX A 214 26.604 29.288 28.493 1.00 0.00 H +HETATM 2568 H8 UFX A 214 25.086 29.278 26.773 1.00 0.00 H +HETATM 2569 C1 UFX A 215 27.139 13.633 1.701 1.00 0.00 C +HETATM 2570 C2 UFX A 215 26.836 14.980 0.931 1.00 0.00 C +HETATM 2571 C3 UFX A 215 26.601 14.664 -0.556 1.00 0.00 C +HETATM 2572 O1 UFX A 215 27.777 14.033 -1.037 1.00 0.00 O +HETATM 2573 H1 UFX A 215 28.174 13.361 1.492 1.00 0.00 H +HETATM 2574 H2 UFX A 215 27.179 13.870 2.764 1.00 0.00 H +HETATM 2575 H3 UFX A 215 26.386 12.868 1.509 1.00 0.00 H +HETATM 2576 H4 UFX A 215 25.949 15.431 1.376 1.00 0.00 H +HETATM 2577 H5 UFX A 215 27.627 15.724 1.024 1.00 0.00 H +HETATM 2578 H6 UFX A 215 26.421 15.646 -0.993 1.00 0.00 H +HETATM 2579 H7 UFX A 215 25.741 14.008 -0.694 1.00 0.00 H +HETATM 2580 H8 UFX A 215 27.905 13.175 -0.580 1.00 0.00 H +HETATM 2581 C1 UFX A 216 6.089 15.943 13.127 1.00 0.00 C +HETATM 2582 C2 UFX A 216 7.450 15.158 12.941 1.00 0.00 C +HETATM 2583 C3 UFX A 216 7.091 13.828 12.287 1.00 0.00 C +HETATM 2584 O1 UFX A 216 8.221 13.040 12.147 1.00 0.00 O +HETATM 2585 H1 UFX A 216 5.509 16.185 12.236 1.00 0.00 H +HETATM 2586 H2 UFX A 216 5.446 15.485 13.878 1.00 0.00 H +HETATM 2587 H3 UFX A 216 6.383 16.897 13.565 1.00 0.00 H +HETATM 2588 H4 UFX A 216 8.176 15.747 12.382 1.00 0.00 H +HETATM 2589 H5 UFX A 216 7.960 14.959 13.884 1.00 0.00 H +HETATM 2590 H6 UFX A 216 6.665 14.119 11.327 1.00 0.00 H +HETATM 2591 H7 UFX A 216 6.318 13.319 12.863 1.00 0.00 H +HETATM 2592 H8 UFX A 216 8.496 13.005 11.206 1.00 0.00 H +HETATM 2593 C1 UFX A 217 17.588 19.677 27.858 1.00 0.00 C +HETATM 2594 C2 UFX A 217 18.278 18.704 26.813 1.00 0.00 C +HETATM 2595 C3 UFX A 217 17.309 17.570 26.513 1.00 0.00 C +HETATM 2596 O1 UFX A 217 17.715 16.809 25.355 1.00 0.00 O +HETATM 2597 H1 UFX A 217 18.202 20.552 28.072 1.00 0.00 H +HETATM 2598 H2 UFX A 217 16.629 20.012 27.465 1.00 0.00 H +HETATM 2599 H3 UFX A 217 17.415 19.077 28.752 1.00 0.00 H +HETATM 2600 H4 UFX A 217 18.570 19.245 25.913 1.00 0.00 H +HETATM 2601 H5 UFX A 217 19.134 18.279 27.336 1.00 0.00 H +HETATM 2602 H6 UFX A 217 16.357 18.010 26.215 1.00 0.00 H +HETATM 2603 H7 UFX A 217 17.184 16.936 27.391 1.00 0.00 H +HETATM 2604 H8 UFX A 217 18.416 16.160 25.581 1.00 0.00 H +HETATM 2605 C1 UFX A 218 19.501 6.771 20.925 1.00 0.00 C +HETATM 2606 C2 UFX A 218 20.648 7.133 21.838 1.00 0.00 C +HETATM 2607 C3 UFX A 218 21.366 8.421 21.426 1.00 0.00 C +HETATM 2608 O1 UFX A 218 21.808 8.309 20.125 1.00 0.00 O +HETATM 2609 H1 UFX A 218 19.873 6.575 19.919 1.00 0.00 H +HETATM 2610 H2 UFX A 218 18.994 5.897 21.336 1.00 0.00 H +HETATM 2611 H3 UFX A 218 18.826 7.626 20.899 1.00 0.00 H +HETATM 2612 H4 UFX A 218 20.216 7.288 22.826 1.00 0.00 H +HETATM 2613 H5 UFX A 218 21.310 6.272 21.937 1.00 0.00 H +HETATM 2614 H6 UFX A 218 22.162 8.800 22.067 1.00 0.00 H +HETATM 2615 H7 UFX A 218 20.571 9.167 21.446 1.00 0.00 H +HETATM 2616 H8 UFX A 218 22.477 7.591 20.107 1.00 0.00 H +HETATM 2617 C1 UFX A 219 -0.668 18.431 20.805 1.00 0.00 C +HETATM 2618 C2 UFX A 219 0.225 18.539 19.660 1.00 0.00 C +HETATM 2619 C3 UFX A 219 -0.209 19.392 18.547 1.00 0.00 C +HETATM 2620 O1 UFX A 219 0.565 19.195 17.392 1.00 0.00 O +HETATM 2621 H1 UFX A 219 -1.697 18.147 20.582 1.00 0.00 H +HETATM 2622 H2 UFX A 219 -0.351 17.567 21.390 1.00 0.00 H +HETATM 2623 H3 UFX A 219 -0.670 19.375 21.350 1.00 0.00 H +HETATM 2624 H4 UFX A 219 1.217 18.806 20.024 1.00 0.00 H +HETATM 2625 H5 UFX A 219 0.415 17.524 19.312 1.00 0.00 H +HETATM 2626 H6 UFX A 219 -0.126 20.432 18.863 1.00 0.00 H +HETATM 2627 H7 UFX A 219 -1.247 19.212 18.266 1.00 0.00 H +HETATM 2628 H8 UFX A 219 0.436 19.983 16.822 1.00 0.00 H +HETATM 2629 C1 UFX A 220 17.613 23.545 25.943 1.00 0.00 C +HETATM 2630 C2 UFX A 220 18.133 24.660 25.076 1.00 0.00 C +HETATM 2631 C3 UFX A 220 18.217 24.494 23.604 1.00 0.00 C +HETATM 2632 O1 UFX A 220 19.111 23.342 23.264 1.00 0.00 O +HETATM 2633 H1 UFX A 220 16.725 23.152 25.448 1.00 0.00 H +HETATM 2634 H2 UFX A 220 18.267 22.735 26.266 1.00 0.00 H +HETATM 2635 H3 UFX A 220 17.290 23.995 26.882 1.00 0.00 H +HETATM 2636 H4 UFX A 220 17.609 25.585 25.317 1.00 0.00 H +HETATM 2637 H5 UFX A 220 19.179 24.831 25.329 1.00 0.00 H +HETATM 2638 H6 UFX A 220 18.499 25.427 23.116 1.00 0.00 H +HETATM 2639 H7 UFX A 220 17.210 24.251 23.264 1.00 0.00 H +HETATM 2640 H8 UFX A 220 18.854 22.521 23.736 1.00 0.00 H +HETATM 2641 C1 UFX A 221 2.427 8.604 3.375 1.00 0.00 C +HETATM 2642 C2 UFX A 221 2.052 8.293 1.934 1.00 0.00 C +HETATM 2643 C3 UFX A 221 2.857 9.261 0.993 1.00 0.00 C +HETATM 2644 O1 UFX A 221 4.136 8.609 0.615 1.00 0.00 O +HETATM 2645 H1 UFX A 221 2.015 7.904 4.103 1.00 0.00 H +HETATM 2646 H2 UFX A 221 3.492 8.371 3.372 1.00 0.00 H +HETATM 2647 H3 UFX A 221 2.169 9.649 3.548 1.00 0.00 H +HETATM 2648 H4 UFX A 221 2.276 7.233 1.819 1.00 0.00 H +HETATM 2649 H5 UFX A 221 0.976 8.417 1.811 1.00 0.00 H +HETATM 2650 H6 UFX A 221 3.137 10.161 1.539 1.00 0.00 H +HETATM 2651 H7 UFX A 221 2.188 9.456 0.154 1.00 0.00 H +HETATM 2652 H8 UFX A 221 4.852 9.256 0.437 1.00 0.00 H +HETATM 2653 C1 UFX A 222 3.101 18.550 -3.053 1.00 0.00 C +HETATM 2654 C2 UFX A 222 2.141 19.747 -2.795 1.00 0.00 C +HETATM 2655 C3 UFX A 222 0.743 19.544 -3.383 1.00 0.00 C +HETATM 2656 O1 UFX A 222 -0.204 19.961 -2.397 1.00 0.00 O +HETATM 2657 H1 UFX A 222 4.046 18.799 -2.569 1.00 0.00 H +HETATM 2658 H2 UFX A 222 2.638 17.666 -2.614 1.00 0.00 H +HETATM 2659 H3 UFX A 222 3.271 18.468 -4.127 1.00 0.00 H +HETATM 2660 H4 UFX A 222 2.062 19.876 -1.716 1.00 0.00 H +HETATM 2661 H5 UFX A 222 2.574 20.623 -3.278 1.00 0.00 H +HETATM 2662 H6 UFX A 222 0.559 18.476 -3.504 1.00 0.00 H +HETATM 2663 H7 UFX A 222 0.588 20.077 -4.322 1.00 0.00 H +HETATM 2664 H8 UFX A 222 -0.090 19.413 -1.591 1.00 0.00 H +HETATM 2665 C1 UFX A 223 26.729 15.047 27.257 1.00 0.00 C +HETATM 2666 C2 UFX A 223 26.875 14.144 26.029 1.00 0.00 C +HETATM 2667 C3 UFX A 223 28.096 13.274 26.043 1.00 0.00 C +HETATM 2668 O1 UFX A 223 29.276 14.066 26.194 1.00 0.00 O +HETATM 2669 H1 UFX A 223 25.734 15.475 27.136 1.00 0.00 H +HETATM 2670 H2 UFX A 223 26.655 14.421 28.147 1.00 0.00 H +HETATM 2671 H3 UFX A 223 27.476 15.841 27.279 1.00 0.00 H +HETATM 2672 H4 UFX A 223 26.013 13.476 26.020 1.00 0.00 H +HETATM 2673 H5 UFX A 223 26.770 14.748 25.127 1.00 0.00 H +HETATM 2674 H6 UFX A 223 28.289 12.661 25.162 1.00 0.00 H +HETATM 2675 H7 UFX A 223 27.869 12.610 26.877 1.00 0.00 H +HETATM 2676 H8 UFX A 223 29.517 14.316 27.112 1.00 0.00 H +HETATM 2677 C1 UFX A 224 3.689 21.215 18.140 1.00 0.00 C +HETATM 2678 C2 UFX A 224 4.177 22.232 19.183 1.00 0.00 C +HETATM 2679 C3 UFX A 224 5.493 21.895 19.844 1.00 0.00 C +HETATM 2680 O1 UFX A 224 5.257 20.866 20.825 1.00 0.00 O +HETATM 2681 H1 UFX A 224 3.256 20.288 18.518 1.00 0.00 H +HETATM 2682 H2 UFX A 224 3.022 21.597 17.367 1.00 0.00 H +HETATM 2683 H3 UFX A 224 4.573 20.893 17.588 1.00 0.00 H +HETATM 2684 H4 UFX A 224 4.280 23.205 18.702 1.00 0.00 H +HETATM 2685 H5 UFX A 224 3.353 22.296 19.894 1.00 0.00 H +HETATM 2686 H6 UFX A 224 5.919 22.784 20.308 1.00 0.00 H +HETATM 2687 H7 UFX A 224 6.170 21.554 19.061 1.00 0.00 H +HETATM 2688 H8 UFX A 224 4.362 20.858 21.226 1.00 0.00 H +HETATM 2689 C1 UFX A 225 27.583 10.213 21.596 1.00 0.00 C +HETATM 2690 C2 UFX A 225 26.082 9.913 21.682 1.00 0.00 C +HETATM 2691 C3 UFX A 225 25.651 9.320 23.051 1.00 0.00 C +HETATM 2692 O1 UFX A 225 25.799 10.327 24.133 1.00 0.00 O +HETATM 2693 H1 UFX A 225 28.066 9.287 21.906 1.00 0.00 H +HETATM 2694 H2 UFX A 225 27.921 10.565 20.621 1.00 0.00 H +HETATM 2695 H3 UFX A 225 27.823 11.015 22.294 1.00 0.00 H +HETATM 2696 H4 UFX A 225 25.459 10.764 21.408 1.00 0.00 H +HETATM 2697 H5 UFX A 225 25.863 9.283 20.820 1.00 0.00 H +HETATM 2698 H6 UFX A 225 26.178 8.370 23.137 1.00 0.00 H +HETATM 2699 H7 UFX A 225 24.595 9.049 23.069 1.00 0.00 H +HETATM 2700 H8 UFX A 225 26.754 10.378 24.351 1.00 0.00 H +HETATM 2701 C1 UFX A 226 22.769 12.055 -0.333 1.00 0.00 C +HETATM 2702 C2 UFX A 226 22.442 13.551 -0.419 1.00 0.00 C +HETATM 2703 C3 UFX A 226 22.411 14.069 1.000 1.00 0.00 C +HETATM 2704 O1 UFX A 226 22.227 15.472 0.903 1.00 0.00 O +HETATM 2705 H1 UFX A 226 23.664 11.745 0.207 1.00 0.00 H +HETATM 2706 H2 UFX A 226 21.934 11.469 0.050 1.00 0.00 H +HETATM 2707 H3 UFX A 226 22.972 11.704 -1.345 1.00 0.00 H +HETATM 2708 H4 UFX A 226 23.253 14.052 -0.947 1.00 0.00 H +HETATM 2709 H5 UFX A 226 21.466 13.632 -0.897 1.00 0.00 H +HETATM 2710 H6 UFX A 226 23.377 13.836 1.449 1.00 0.00 H +HETATM 2711 H7 UFX A 226 21.626 13.675 1.645 1.00 0.00 H +HETATM 2712 H8 UFX A 226 22.359 16.025 1.702 1.00 0.00 H +HETATM 2713 C1 UFX A 227 13.773 15.752 25.866 1.00 0.00 C +HETATM 2714 C2 UFX A 227 13.082 16.654 26.992 1.00 0.00 C +HETATM 2715 C3 UFX A 227 13.925 16.565 28.273 1.00 0.00 C +HETATM 2716 O1 UFX A 227 13.590 15.390 28.951 1.00 0.00 O +HETATM 2717 H1 UFX A 227 13.990 14.747 26.229 1.00 0.00 H +HETATM 2718 H2 UFX A 227 13.135 15.624 24.991 1.00 0.00 H +HETATM 2719 H3 UFX A 227 14.704 16.185 25.500 1.00 0.00 H +HETATM 2720 H4 UFX A 227 12.899 17.668 26.634 1.00 0.00 H +HETATM 2721 H5 UFX A 227 12.065 16.346 27.237 1.00 0.00 H +HETATM 2722 H6 UFX A 227 13.637 17.408 28.901 1.00 0.00 H +HETATM 2723 H7 UFX A 227 14.988 16.647 28.046 1.00 0.00 H +HETATM 2724 H8 UFX A 227 12.651 15.340 29.230 1.00 0.00 H +HETATM 2725 C1 UFX A 228 -7.306 24.051 -0.704 1.00 0.00 C +HETATM 2726 C2 UFX A 228 -5.980 24.064 -1.528 1.00 0.00 C +HETATM 2727 C3 UFX A 228 -4.871 23.241 -0.868 1.00 0.00 C +HETATM 2728 O1 UFX A 228 -4.629 23.823 0.434 1.00 0.00 O +HETATM 2729 H1 UFX A 228 -7.241 24.703 0.168 1.00 0.00 H +HETATM 2730 H2 UFX A 228 -8.065 24.573 -1.287 1.00 0.00 H +HETATM 2731 H3 UFX A 228 -7.547 23.051 -0.342 1.00 0.00 H +HETATM 2732 H4 UFX A 228 -6.189 23.712 -2.538 1.00 0.00 H +HETATM 2733 H5 UFX A 228 -5.665 25.102 -1.634 1.00 0.00 H +HETATM 2734 H6 UFX A 228 -3.927 23.183 -1.410 1.00 0.00 H +HETATM 2735 H7 UFX A 228 -5.246 22.232 -0.692 1.00 0.00 H +HETATM 2736 H8 UFX A 228 -3.973 24.545 0.326 1.00 0.00 H +HETATM 2737 C1 UFX A 229 9.093 0.067 6.787 1.00 0.00 C +HETATM 2738 C2 UFX A 229 8.929 -1.201 7.564 1.00 0.00 C +HETATM 2739 C3 UFX A 229 8.574 -0.840 8.948 1.00 0.00 C +HETATM 2740 O1 UFX A 229 8.364 -2.074 9.703 1.00 0.00 O +HETATM 2741 H1 UFX A 229 8.149 0.556 6.544 1.00 0.00 H +HETATM 2742 H2 UFX A 229 9.693 0.765 7.370 1.00 0.00 H +HETATM 2743 H3 UFX A 229 9.689 -0.112 5.892 1.00 0.00 H +HETATM 2744 H4 UFX A 229 8.196 -1.875 7.119 1.00 0.00 H +HETATM 2745 H5 UFX A 229 9.919 -1.659 7.536 1.00 0.00 H +HETATM 2746 H6 UFX A 229 7.624 -0.308 8.893 1.00 0.00 H +HETATM 2747 H7 UFX A 229 9.393 -0.307 9.431 1.00 0.00 H +HETATM 2748 H8 UFX A 229 7.719 -2.687 9.289 1.00 0.00 H +HETATM 2749 C1 UFX A 230 12.000 26.826 13.145 1.00 0.00 C +HETATM 2750 C2 UFX A 230 11.475 25.389 12.895 1.00 0.00 C +HETATM 2751 C3 UFX A 230 10.921 24.846 14.243 1.00 0.00 C +HETATM 2752 O1 UFX A 230 9.867 25.684 14.762 1.00 0.00 O +HETATM 2753 H1 UFX A 230 12.440 27.205 12.222 1.00 0.00 H +HETATM 2754 H2 UFX A 230 11.154 27.458 13.417 1.00 0.00 H +HETATM 2755 H3 UFX A 230 12.701 26.843 13.979 1.00 0.00 H +HETATM 2756 H4 UFX A 230 10.740 25.311 12.093 1.00 0.00 H +HETATM 2757 H5 UFX A 230 12.326 24.811 12.536 1.00 0.00 H +HETATM 2758 H6 UFX A 230 11.715 24.877 14.990 1.00 0.00 H +HETATM 2759 H7 UFX A 230 10.468 23.912 13.910 1.00 0.00 H +HETATM 2760 H8 UFX A 230 9.284 26.003 14.040 1.00 0.00 H +HETATM 2761 C1 UFX A 231 5.659 1.075 3.988 1.00 0.00 C +HETATM 2762 C2 UFX A 231 5.269 2.542 3.677 1.00 0.00 C +HETATM 2763 C3 UFX A 231 4.086 2.734 2.643 1.00 0.00 C +HETATM 2764 O1 UFX A 231 3.649 4.129 2.733 1.00 0.00 O +HETATM 2765 H1 UFX A 231 5.890 0.528 3.073 1.00 0.00 H +HETATM 2766 H2 UFX A 231 6.563 1.067 4.598 1.00 0.00 H +HETATM 2767 H3 UFX A 231 4.759 0.637 4.418 1.00 0.00 H +HETATM 2768 H4 UFX A 231 4.920 3.004 4.601 1.00 0.00 H +HETATM 2769 H5 UFX A 231 6.142 3.077 3.302 1.00 0.00 H +HETATM 2770 H6 UFX A 231 3.285 2.077 2.982 1.00 0.00 H +HETATM 2771 H7 UFX A 231 4.293 2.517 1.595 1.00 0.00 H +HETATM 2772 H8 UFX A 231 4.248 4.759 2.278 1.00 0.00 H +HETATM 2773 C1 UFX A 232 18.069 5.755 4.652 1.00 0.00 C +HETATM 2774 C2 UFX A 232 18.042 5.648 6.109 1.00 0.00 C +HETATM 2775 C3 UFX A 232 17.265 6.832 6.714 1.00 0.00 C +HETATM 2776 O1 UFX A 232 17.190 6.745 8.128 1.00 0.00 O +HETATM 2777 H1 UFX A 232 18.454 6.730 4.353 1.00 0.00 H +HETATM 2778 H2 UFX A 232 18.754 5.036 4.203 1.00 0.00 H +HETATM 2779 H3 UFX A 232 17.070 5.600 4.243 1.00 0.00 H +HETATM 2780 H4 UFX A 232 17.652 4.672 6.399 1.00 0.00 H +HETATM 2781 H5 UFX A 232 19.110 5.689 6.324 1.00 0.00 H +HETATM 2782 H6 UFX A 232 16.244 6.810 6.330 1.00 0.00 H +HETATM 2783 H7 UFX A 232 17.711 7.799 6.478 1.00 0.00 H +HETATM 2784 H8 UFX A 232 16.836 7.573 8.516 1.00 0.00 H +HETATM 2785 C1 UFX A 233 10.200 -2.645 25.169 1.00 0.00 C +HETATM 2786 C2 UFX A 233 10.315 -1.261 24.567 1.00 0.00 C +HETATM 2787 C3 UFX A 233 11.838 -0.770 24.681 1.00 0.00 C +HETATM 2788 O1 UFX A 233 11.847 0.688 24.570 1.00 0.00 O +HETATM 2789 H1 UFX A 233 9.156 -2.953 25.124 1.00 0.00 H +HETATM 2790 H2 UFX A 233 10.905 -3.308 24.666 1.00 0.00 H +HETATM 2791 H3 UFX A 233 10.401 -2.653 26.240 1.00 0.00 H +HETATM 2792 H4 UFX A 233 9.888 -1.306 23.565 1.00 0.00 H +HETATM 2793 H5 UFX A 233 9.705 -0.518 25.082 1.00 0.00 H +HETATM 2794 H6 UFX A 233 12.293 -1.258 23.818 1.00 0.00 H +HETATM 2795 H7 UFX A 233 12.282 -1.082 25.626 1.00 0.00 H +HETATM 2796 H8 UFX A 233 12.724 1.061 24.338 1.00 0.00 H +HETATM 2797 C1 UFX A 234 -4.022 17.940 14.684 1.00 0.00 C +HETATM 2798 C2 UFX A 234 -3.244 17.259 13.619 1.00 0.00 C +HETATM 2799 C3 UFX A 234 -1.994 16.434 14.134 1.00 0.00 C +HETATM 2800 O1 UFX A 234 -2.355 15.413 15.035 1.00 0.00 O +HETATM 2801 H1 UFX A 234 -4.378 17.270 15.467 1.00 0.00 H +HETATM 2802 H2 UFX A 234 -3.534 18.808 15.128 1.00 0.00 H +HETATM 2803 H3 UFX A 234 -4.950 18.334 14.270 1.00 0.00 H +HETATM 2804 H4 UFX A 234 -3.851 16.472 13.170 1.00 0.00 H +HETATM 2805 H5 UFX A 234 -2.893 17.928 12.833 1.00 0.00 H +HETATM 2806 H6 UFX A 234 -1.319 17.141 14.617 1.00 0.00 H +HETATM 2807 H7 UFX A 234 -1.488 15.936 13.307 1.00 0.00 H +HETATM 2808 H8 UFX A 234 -1.606 15.041 15.549 1.00 0.00 H +HETATM 2809 C1 UFX A 235 10.741 8.108 18.822 1.00 0.00 C +HETATM 2810 C2 UFX A 235 9.252 7.913 19.261 1.00 0.00 C +HETATM 2811 C3 UFX A 235 8.726 6.577 19.676 1.00 0.00 C +HETATM 2812 O1 UFX A 235 8.790 5.709 18.512 1.00 0.00 O +HETATM 2813 H1 UFX A 235 10.911 7.549 17.902 1.00 0.00 H +HETATM 2814 H2 UFX A 235 11.013 9.154 18.683 1.00 0.00 H +HETATM 2815 H3 UFX A 235 11.407 7.690 19.578 1.00 0.00 H +HETATM 2816 H4 UFX A 235 9.075 8.687 20.009 1.00 0.00 H +HETATM 2817 H5 UFX A 235 8.597 8.228 18.448 1.00 0.00 H +HETATM 2818 H6 UFX A 235 7.699 6.698 20.021 1.00 0.00 H +HETATM 2819 H7 UFX A 235 9.421 6.189 20.421 1.00 0.00 H +HETATM 2820 H8 UFX A 235 9.734 5.484 18.372 1.00 0.00 H +HETATM 2821 C1 UFX A 236 15.860 11.927 10.201 1.00 0.00 C +HETATM 2822 C2 UFX A 236 14.710 11.079 9.634 1.00 0.00 C +HETATM 2823 C3 UFX A 236 15.066 9.550 9.821 1.00 0.00 C +HETATM 2824 O1 UFX A 236 16.175 9.263 9.088 1.00 0.00 O +HETATM 2825 H1 UFX A 236 15.596 12.983 10.262 1.00 0.00 H +HETATM 2826 H2 UFX A 236 16.184 11.631 11.198 1.00 0.00 H +HETATM 2827 H3 UFX A 236 16.688 11.851 9.496 1.00 0.00 H +HETATM 2828 H4 UFX A 236 13.789 11.311 10.169 1.00 0.00 H +HETATM 2829 H5 UFX A 236 14.467 11.145 8.573 1.00 0.00 H +HETATM 2830 H6 UFX A 236 14.297 8.872 9.450 1.00 0.00 H +HETATM 2831 H7 UFX A 236 15.193 9.357 10.886 1.00 0.00 H +HETATM 2832 H8 UFX A 236 16.954 9.825 9.289 1.00 0.00 H +HETATM 2833 C1 UFX A 237 28.522 7.174 -2.166 1.00 0.00 C +HETATM 2834 C2 UFX A 237 29.722 6.192 -2.275 1.00 0.00 C +HETATM 2835 C3 UFX A 237 29.364 4.935 -3.035 1.00 0.00 C +HETATM 2836 O1 UFX A 237 28.453 4.247 -2.220 1.00 0.00 O +HETATM 2837 H1 UFX A 237 28.802 8.110 -1.682 1.00 0.00 H +HETATM 2838 H2 UFX A 237 28.109 7.470 -3.130 1.00 0.00 H +HETATM 2839 H3 UFX A 237 27.718 6.657 -1.641 1.00 0.00 H +HETATM 2840 H4 UFX A 237 30.565 6.699 -2.744 1.00 0.00 H +HETATM 2841 H5 UFX A 237 30.101 5.952 -1.282 1.00 0.00 H +HETATM 2842 H6 UFX A 237 30.217 4.259 -3.092 1.00 0.00 H +HETATM 2843 H7 UFX A 237 28.950 5.157 -4.019 1.00 0.00 H +HETATM 2844 H8 UFX A 237 28.085 3.464 -2.681 1.00 0.00 H +HETATM 2845 C1 UFX A 238 4.898 14.596 34.623 1.00 0.00 C +HETATM 2846 C2 UFX A 238 5.607 13.392 35.293 1.00 0.00 C +HETATM 2847 C3 UFX A 238 5.283 12.076 34.588 1.00 0.00 C +HETATM 2848 O1 UFX A 238 6.013 11.035 35.113 1.00 0.00 O +HETATM 2849 H1 UFX A 238 5.279 15.535 35.025 1.00 0.00 H +HETATM 2850 H2 UFX A 238 5.160 14.615 33.565 1.00 0.00 H +HETATM 2851 H3 UFX A 238 3.834 14.513 34.846 1.00 0.00 H +HETATM 2852 H4 UFX A 238 6.684 13.528 35.192 1.00 0.00 H +HETATM 2853 H5 UFX A 238 5.428 13.360 36.368 1.00 0.00 H +HETATM 2854 H6 UFX A 238 5.529 12.324 33.556 1.00 0.00 H +HETATM 2855 H7 UFX A 238 4.206 11.921 34.664 1.00 0.00 H +HETATM 2856 H8 UFX A 238 5.872 10.160 34.692 1.00 0.00 H +HETATM 2857 C1 UFX A 239 0.014 24.734 22.903 1.00 0.00 C +HETATM 2858 C2 UFX A 239 -0.035 24.171 21.432 1.00 0.00 C +HETATM 2859 C3 UFX A 239 0.841 22.939 21.407 1.00 0.00 C +HETATM 2860 O1 UFX A 239 0.351 21.957 22.264 1.00 0.00 O +HETATM 2861 H1 UFX A 239 -0.409 24.003 23.593 1.00 0.00 H +HETATM 2862 H2 UFX A 239 1.018 24.967 23.258 1.00 0.00 H +HETATM 2863 H3 UFX A 239 -0.591 25.621 23.088 1.00 0.00 H +HETATM 2864 H4 UFX A 239 -1.054 23.939 21.123 1.00 0.00 H +HETATM 2865 H5 UFX A 239 0.387 24.829 20.672 1.00 0.00 H +HETATM 2866 H6 UFX A 239 1.859 23.246 21.649 1.00 0.00 H +HETATM 2867 H7 UFX A 239 0.849 22.554 20.387 1.00 0.00 H +HETATM 2868 H8 UFX A 239 -0.561 21.687 22.025 1.00 0.00 H +HETATM 2869 C1 UFX A 240 6.919 8.323 5.108 1.00 0.00 C +HETATM 2870 C2 UFX A 240 5.790 8.202 6.139 1.00 0.00 C +HETATM 2871 C3 UFX A 240 4.892 6.986 5.969 1.00 0.00 C +HETATM 2872 O1 UFX A 240 3.999 7.084 6.977 1.00 0.00 O +HETATM 2873 H1 UFX A 240 7.530 7.420 5.126 1.00 0.00 H +HETATM 2874 H2 UFX A 240 6.437 8.540 4.155 1.00 0.00 H +HETATM 2875 H3 UFX A 240 7.624 9.112 5.369 1.00 0.00 H +HETATM 2876 H4 UFX A 240 6.202 8.173 7.148 1.00 0.00 H +HETATM 2877 H5 UFX A 240 5.132 9.070 6.126 1.00 0.00 H +HETATM 2878 H6 UFX A 240 5.498 6.082 6.021 1.00 0.00 H +HETATM 2879 H7 UFX A 240 4.418 7.036 4.988 1.00 0.00 H +HETATM 2880 H8 UFX A 240 3.335 7.781 6.791 1.00 0.00 H +HETATM 2881 C1 UFX A 241 20.025 15.563 10.914 1.00 0.00 C +HETATM 2882 C2 UFX A 241 19.374 16.935 10.856 1.00 0.00 C +HETATM 2883 C3 UFX A 241 18.266 17.046 11.873 1.00 0.00 C +HETATM 2884 O1 UFX A 241 18.865 17.202 13.126 1.00 0.00 O +HETATM 2885 H1 UFX A 241 21.004 15.678 10.449 1.00 0.00 H +HETATM 2886 H2 UFX A 241 20.091 15.271 11.963 1.00 0.00 H +HETATM 2887 H3 UFX A 241 19.512 14.758 10.388 1.00 0.00 H +HETATM 2888 H4 UFX A 241 20.125 17.711 11.008 1.00 0.00 H +HETATM 2889 H5 UFX A 241 18.943 16.966 9.855 1.00 0.00 H +HETATM 2890 H6 UFX A 241 17.612 16.177 11.810 1.00 0.00 H +HETATM 2891 H7 UFX A 241 17.564 17.842 11.623 1.00 0.00 H +HETATM 2892 H8 UFX A 241 18.202 17.192 13.850 1.00 0.00 H +HETATM 2893 C1 UFX A 242 3.550 16.630 18.481 1.00 0.00 C +HETATM 2894 C2 UFX A 242 3.329 17.496 17.219 1.00 0.00 C +HETATM 2895 C3 UFX A 242 2.518 16.670 16.181 1.00 0.00 C +HETATM 2896 O1 UFX A 242 0.994 16.821 16.400 1.00 0.00 O +HETATM 2897 H1 UFX A 242 3.844 15.674 18.048 1.00 0.00 H +HETATM 2898 H2 UFX A 242 4.380 16.972 19.100 1.00 0.00 H +HETATM 2899 H3 UFX A 242 2.556 16.477 18.902 1.00 0.00 H +HETATM 2900 H4 UFX A 242 2.804 18.413 17.489 1.00 0.00 H +HETATM 2901 H5 UFX A 242 4.274 17.680 16.707 1.00 0.00 H +HETATM 2902 H6 UFX A 242 2.795 15.617 16.131 1.00 0.00 H +HETATM 2903 H7 UFX A 242 2.737 17.001 15.166 1.00 0.00 H +HETATM 2904 H8 UFX A 242 0.781 17.666 16.850 1.00 0.00 H +HETATM 2905 C1 UFX A 243 30.628 -2.652 24.548 1.00 0.00 C +HETATM 2906 C2 UFX A 243 31.716 -2.758 25.589 1.00 0.00 C +HETATM 2907 C3 UFX A 243 31.498 -1.647 26.581 1.00 0.00 C +HETATM 2908 O1 UFX A 243 31.540 -0.396 25.944 1.00 0.00 O +HETATM 2909 H1 UFX A 243 30.868 -3.229 23.655 1.00 0.00 H +HETATM 2910 H2 UFX A 243 29.648 -3.004 24.871 1.00 0.00 H +HETATM 2911 H3 UFX A 243 30.447 -1.628 24.220 1.00 0.00 H +HETATM 2912 H4 UFX A 243 31.785 -3.779 25.964 1.00 0.00 H 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H3 UFX A 246 21.216 23.792 5.395 1.00 0.00 H +HETATM 2948 H4 UFX A 246 23.322 24.704 4.861 1.00 0.00 H +HETATM 2949 H5 UFX A 246 23.582 22.991 4.908 1.00 0.00 H +HETATM 2950 H6 UFX A 246 23.004 24.586 2.390 1.00 0.00 H +HETATM 2951 H7 UFX A 246 23.545 22.868 2.384 1.00 0.00 H +HETATM 2952 H8 UFX A 246 25.344 23.897 2.083 1.00 0.00 H +HETATM 2953 C1 UFX A 247 27.072 1.446 20.573 1.00 0.00 C +HETATM 2954 C2 UFX A 247 28.547 1.664 20.878 1.00 0.00 C +HETATM 2955 C3 UFX A 247 29.231 1.731 19.466 1.00 0.00 C +HETATM 2956 O1 UFX A 247 30.472 2.440 19.664 1.00 0.00 O +HETATM 2957 H1 UFX A 247 26.548 1.268 21.512 1.00 0.00 H +HETATM 2958 H2 UFX A 247 26.627 2.340 20.136 1.00 0.00 H +HETATM 2959 H3 UFX A 247 26.915 0.554 19.966 1.00 0.00 H +HETATM 2960 H4 UFX A 247 28.713 2.605 21.401 1.00 0.00 H +HETATM 2961 H5 UFX A 247 28.970 0.818 21.421 1.00 0.00 H +HETATM 2962 H6 UFX A 247 28.721 2.358 18.735 1.00 0.00 H +HETATM 2963 H7 UFX A 247 29.401 0.763 18.994 1.00 0.00 H +HETATM 2964 H8 UFX A 247 31.185 2.140 19.061 1.00 0.00 H +HETATM 2965 C1 UFX A 248 15.916 10.669 14.200 1.00 0.00 C +HETATM 2966 C2 UFX A 248 14.675 10.006 14.938 1.00 0.00 C +HETATM 2967 C3 UFX A 248 13.749 9.258 13.948 1.00 0.00 C +HETATM 2968 O1 UFX A 248 14.366 8.151 13.404 1.00 0.00 O +HETATM 2969 H1 UFX A 248 15.532 11.507 13.619 1.00 0.00 H +HETATM 2970 H2 UFX A 248 16.512 11.213 14.932 1.00 0.00 H +HETATM 2971 H3 UFX A 248 16.493 9.963 13.602 1.00 0.00 H +HETATM 2972 H4 UFX A 248 15.093 9.229 15.578 1.00 0.00 H +HETATM 2973 H5 UFX A 248 14.162 10.783 15.506 1.00 0.00 H +HETATM 2974 H6 UFX A 248 13.344 9.925 13.187 1.00 0.00 H +HETATM 2975 H7 UFX A 248 12.931 8.829 14.527 1.00 0.00 H +HETATM 2976 H8 UFX A 248 13.684 7.602 12.961 1.00 0.00 H +HETATM 2977 C1 UFX A 249 1.728 34.689 26.653 1.00 0.00 C +HETATM 2978 C2 UFX A 249 3.154 34.189 26.514 1.00 0.00 C +HETATM 2979 C3 UFX A 249 3.328 33.028 25.502 1.00 0.00 C +HETATM 2980 O1 UFX A 249 2.685 31.783 25.879 1.00 0.00 O +HETATM 2981 H1 UFX A 249 1.365 35.134 25.727 1.00 0.00 H +HETATM 2982 H2 UFX A 249 1.075 33.860 26.925 1.00 0.00 H +HETATM 2983 H3 UFX A 249 1.646 35.372 27.499 1.00 0.00 H +HETATM 2984 H4 UFX A 249 3.724 35.027 26.113 1.00 0.00 H +HETATM 2985 H5 UFX A 249 3.587 33.858 27.458 1.00 0.00 H +HETATM 2986 H6 UFX A 249 4.370 32.719 25.416 1.00 0.00 H +HETATM 2987 H7 UFX A 249 2.910 33.362 24.552 1.00 0.00 H +HETATM 2988 H8 UFX A 249 3.083 31.399 26.690 1.00 0.00 H +HETATM 2989 C1 UFX A 250 7.192 19.606 16.137 1.00 0.00 C +HETATM 2990 C2 UFX A 250 8.073 20.789 16.765 1.00 0.00 C +HETATM 2991 C3 UFX A 250 9.391 21.036 15.952 1.00 0.00 C +HETATM 2992 O1 UFX A 250 10.159 19.870 15.775 1.00 0.00 O +HETATM 2993 H1 UFX A 250 7.768 18.691 15.996 1.00 0.00 H +HETATM 2994 H2 UFX A 250 6.365 19.373 16.808 1.00 0.00 H +HETATM 2995 H3 UFX A 250 6.765 19.902 15.179 1.00 0.00 H +HETATM 2996 H4 UFX A 250 7.532 21.736 16.763 1.00 0.00 H +HETATM 2997 H5 UFX A 250 8.326 20.624 17.812 1.00 0.00 H +HETATM 2998 H6 UFX A 250 10.010 21.750 16.495 1.00 0.00 H +HETATM 2999 H7 UFX A 250 9.121 21.494 15.000 1.00 0.00 H +HETATM 3000 H8 UFX A 250 10.359 19.381 16.601 1.00 0.00 H +HETATM 3001 C1 UFX A 251 37.728 25.184 16.702 1.00 0.00 C +HETATM 3002 C2 UFX A 251 38.786 26.218 17.119 1.00 0.00 C +HETATM 3003 C3 UFX A 251 39.946 25.506 17.842 1.00 0.00 C +HETATM 3004 O1 UFX A 251 40.672 24.540 17.005 1.00 0.00 O +HETATM 3005 H1 UFX A 251 38.249 24.521 16.011 1.00 0.00 H +HETATM 3006 H2 UFX A 251 37.287 24.594 17.506 1.00 0.00 H +HETATM 3007 H3 UFX A 251 36.907 25.741 16.252 1.00 0.00 H +HETATM 3008 H4 UFX A 251 39.207 26.676 16.224 1.00 0.00 H +HETATM 3009 H5 UFX A 251 38.318 27.004 17.712 1.00 0.00 H +HETATM 3010 H6 UFX A 251 39.573 25.168 18.809 1.00 0.00 H +HETATM 3011 H7 UFX A 251 40.634 26.320 18.070 1.00 0.00 H +HETATM 3012 H8 UFX A 251 40.829 24.948 16.126 1.00 0.00 H +HETATM 3013 C1 UFX A 252 23.820 11.505 3.487 1.00 0.00 C +HETATM 3014 C2 UFX A 252 25.106 10.659 3.345 1.00 0.00 C +HETATM 3015 C3 UFX A 252 24.737 9.213 3.294 1.00 0.00 C +HETATM 3016 O1 UFX A 252 25.900 8.527 2.719 1.00 0.00 O +HETATM 3017 H1 UFX A 252 23.036 11.409 2.736 1.00 0.00 H +HETATM 3018 H2 UFX A 252 23.324 11.294 4.434 1.00 0.00 H +HETATM 3019 H3 UFX A 252 24.116 12.553 3.530 1.00 0.00 H +HETATM 3020 H4 UFX A 252 25.558 10.969 2.403 1.00 0.00 H +HETATM 3021 H5 UFX A 252 25.798 10.929 4.144 1.00 0.00 H +HETATM 3022 H6 UFX A 252 23.878 9.025 2.648 1.00 0.00 H +HETATM 3023 H7 UFX A 252 24.498 8.845 4.292 1.00 0.00 H +HETATM 3024 H8 UFX A 252 25.862 7.554 2.838 1.00 0.00 H +HETATM 3025 C1 UFX A 253 10.347 9.657 10.346 1.00 0.00 C +HETATM 3026 C2 UFX A 253 11.144 9.120 9.178 1.00 0.00 C +HETATM 3027 C3 UFX A 253 10.295 8.113 8.365 1.00 0.00 C +HETATM 3028 O1 UFX A 253 9.644 7.189 9.176 1.00 0.00 O +HETATM 3029 H1 UFX A 253 9.386 10.008 9.969 1.00 0.00 H +HETATM 3030 H2 UFX A 253 10.196 8.951 11.163 1.00 0.00 H +HETATM 3031 H3 UFX A 253 10.868 10.508 10.783 1.00 0.00 H +HETATM 3032 H4 UFX A 253 11.463 9.964 8.566 1.00 0.00 H 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5.368 10.262 -2.092 1.00 0.00 C +HETATM 3051 C3 UFX A 255 6.452 10.863 -1.122 1.00 0.00 C +HETATM 3052 O1 UFX A 255 6.338 10.345 0.212 1.00 0.00 O +HETATM 3053 H1 UFX A 255 5.108 8.328 -3.177 1.00 0.00 H +HETATM 3054 H2 UFX A 255 6.708 8.840 -3.058 1.00 0.00 H +HETATM 3055 H3 UFX A 255 6.006 8.246 -1.596 1.00 0.00 H +HETATM 3056 H4 UFX A 255 5.329 10.864 -3.000 1.00 0.00 H +HETATM 3057 H5 UFX A 255 4.359 10.309 -1.682 1.00 0.00 H +HETATM 3058 H6 UFX A 255 6.267 11.937 -1.093 1.00 0.00 H +HETATM 3059 H7 UFX A 255 7.479 10.707 -1.454 1.00 0.00 H +HETATM 3060 H8 UFX A 255 7.148 10.520 0.737 1.00 0.00 H +HETATM 3061 C1 UFX A 256 26.262 11.572 29.707 1.00 0.00 C +HETATM 3062 C2 UFX A 256 27.447 10.656 29.446 1.00 0.00 C +HETATM 3063 C3 UFX A 256 28.868 11.143 29.861 1.00 0.00 C +HETATM 3064 O1 UFX A 256 28.810 11.709 31.122 1.00 0.00 O +HETATM 3065 H1 UFX A 256 25.374 11.090 29.299 1.00 0.00 H +HETATM 3066 H2 UFX A 256 26.245 11.588 30.797 1.00 0.00 H +HETATM 3067 H3 UFX A 256 26.437 12.571 29.306 1.00 0.00 H +HETATM 3068 H4 UFX A 256 27.216 9.724 29.960 1.00 0.00 H +HETATM 3069 H5 UFX A 256 27.430 10.388 28.389 1.00 0.00 H +HETATM 3070 H6 UFX A 256 29.189 11.870 29.114 1.00 0.00 H +HETATM 3071 H7 UFX A 256 29.545 10.290 29.895 1.00 0.00 H +HETATM 3072 H8 UFX A 256 28.470 11.024 31.738 1.00 0.00 H +TER 3073 UFX A 256 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 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147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 +CONECT 202 195 +CONECT 203 195 +CONECT 204 196 +CONECT 205 206 209 210 211 +CONECT 206 205 207 212 213 +CONECT 207 206 208 214 215 +CONECT 208 207 216 +CONECT 209 205 +CONECT 210 205 +CONECT 211 205 +CONECT 212 206 +CONECT 213 206 +CONECT 214 207 +CONECT 215 207 +CONECT 216 208 +CONECT 217 218 221 222 223 +CONECT 218 217 219 224 225 +CONECT 219 218 220 226 227 +CONECT 220 219 228 +CONECT 221 217 +CONECT 222 217 +CONECT 223 217 +CONECT 224 218 +CONECT 225 218 +CONECT 226 219 +CONECT 227 219 +CONECT 228 220 +CONECT 229 230 233 234 235 +CONECT 230 229 231 236 237 +CONECT 231 230 232 238 239 +CONECT 232 231 240 +CONECT 233 229 +CONECT 234 229 +CONECT 235 229 +CONECT 236 230 +CONECT 237 230 +CONECT 238 231 +CONECT 239 231 +CONECT 240 232 +CONECT 241 242 245 246 247 +CONECT 242 241 243 248 249 +CONECT 243 242 244 250 251 +CONECT 244 243 252 +CONECT 245 241 +CONECT 246 241 +CONECT 247 241 +CONECT 248 242 +CONECT 249 242 +CONECT 250 243 +CONECT 251 243 +CONECT 252 244 +CONECT 253 254 257 258 259 +CONECT 254 253 255 260 261 +CONECT 255 254 256 262 263 +CONECT 256 255 264 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3008 3002 +CONECT 3009 3002 +CONECT 3010 3003 +CONECT 3011 3003 +CONECT 3012 3004 +CONECT 3013 3014 3017 3018 3019 +CONECT 3014 3013 3015 3020 3021 +CONECT 3015 3014 3016 3022 3023 +CONECT 3016 3015 3024 +CONECT 3017 3013 +CONECT 3018 3013 +CONECT 3019 3013 +CONECT 3020 3014 +CONECT 3021 3014 +CONECT 3022 3015 +CONECT 3023 3015 +CONECT 3024 3016 +CONECT 3025 3026 3029 3030 3031 +CONECT 3026 3025 3027 3032 3033 +CONECT 3027 3026 3028 3034 3035 +CONECT 3028 3027 3036 +CONECT 3029 3025 +CONECT 3030 3025 +CONECT 3031 3025 +CONECT 3032 3026 +CONECT 3033 3026 +CONECT 3034 3027 +CONECT 3035 3027 +CONECT 3036 3028 +CONECT 3037 3038 3041 3042 3043 +CONECT 3038 3037 3039 3044 3045 +CONECT 3039 3038 3040 3046 3047 +CONECT 3040 3039 3048 +CONECT 3041 3037 +CONECT 3042 3037 +CONECT 3043 3037 +CONECT 3044 3038 +CONECT 3045 3038 +CONECT 3046 3039 +CONECT 3047 3039 +CONECT 3048 3040 +CONECT 3049 3050 3053 3054 3055 +CONECT 3050 3049 3051 3056 3057 +CONECT 3051 3050 3052 3058 3059 +CONECT 3052 3051 3060 +CONECT 3053 3049 +CONECT 3054 3049 +CONECT 3055 3049 +CONECT 3056 3050 +CONECT 3057 3050 +CONECT 3058 3051 +CONECT 3059 3051 +CONECT 3060 3052 +CONECT 3061 3062 3065 3066 3067 +CONECT 3062 3061 3063 3068 3069 +CONECT 3063 3062 3064 3070 3071 +CONECT 3064 3063 3072 +CONECT 3065 3061 +CONECT 3066 3061 +CONECT 3067 3061 +CONECT 3068 3062 +CONECT 3069 3062 +CONECT 3070 3063 +CONECT 3071 3063 +CONECT 3072 3064 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_0/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/1|equilibration_simulation_component_1_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/1|equilibration_simulation_component_1_output.json new file mode 100644 index 00000000..e60ca940 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/1|equilibration_simulation_component_1_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_equilibration_simulation_component_1/output.pdb", ".trajectory_file_path": "1_equilibration_simulation_component_1/trajectory.dcd", ".observables": {"observables": {"PotentialEnergy": {"value": {"value": {"value": [[-10000.395556251766], [-10109.267683158432], [-10261.842667424164], [-10290.066997902795], [-10291.918243124395], [-10427.61689873792], [-10305.469572085489], [-10157.156359125283], 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"gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}}, "@type": "openff.evaluator.utils.observables.ObservableFrame"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/checkpoint.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/checkpoint.json new file mode 100644 index 00000000..6c59aace --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/checkpoint.json @@ -0,0 +1 @@ +{"output_frequency": 5000, "checkpoint_frequency": 10, "steps_per_iteration": 100000, "current_step_number": 100000, "@type": "openff.evaluator.protocols.openmm.OpenMMSimulation._Checkpoint"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/checkpoint_state.xml 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+ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/input.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/input.pdb new file mode 100644 index 00000000..dbfa1d86 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/input.pdb @@ -0,0 +1,772 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 24.056 24.056 24.056 90.00 90.00 90.00 P 1 1 +HETATM 1 O HOH A 1 8.185 8.377 8.797 1.00 0.00 O +HETATM 2 H1 HOH A 1 7.484 7.850 8.414 1.00 0.00 H +HETATM 3 H2 HOH A 1 7.847 9.272 8.784 1.00 0.00 H +HETATM 4 O HOH A 2 4.115 15.135 6.308 1.00 0.00 O +HETATM 5 H1 HOH A 2 4.220 14.467 5.630 1.00 0.00 H +HETATM 6 H2 HOH A 2 3.927 14.640 7.106 1.00 0.00 H +HETATM 7 O HOH A 3 3.269 16.109 18.830 1.00 0.00 O +HETATM 8 H1 HOH A 3 3.012 16.981 18.529 1.00 0.00 H +HETATM 9 H2 HOH A 3 4.139 16.232 19.208 1.00 0.00 H +HETATM 10 O HOH A 4 4.561 15.156 16.542 1.00 0.00 O +HETATM 11 H1 HOH A 4 4.036 15.406 17.303 1.00 0.00 H +HETATM 12 H2 HOH A 4 5.197 15.865 16.446 1.00 0.00 H +HETATM 13 O HOH A 5 9.350 18.994 5.167 1.00 0.00 O +HETATM 14 H1 HOH A 5 10.099 18.571 4.748 1.00 0.00 H +HETATM 15 H2 HOH A 5 9.328 18.625 6.050 1.00 0.00 H +HETATM 16 O HOH A 6 10.405 17.557 0.689 1.00 0.00 O +HETATM 17 H1 HOH A 6 10.525 16.821 1.290 1.00 0.00 H +HETATM 18 H2 HOH A 6 10.520 17.177 -0.182 1.00 0.00 H +HETATM 19 O HOH A 7 13.934 5.489 15.142 1.00 0.00 O +HETATM 20 H1 HOH A 7 13.713 4.964 15.912 1.00 0.00 H +HETATM 21 H2 HOH A 7 14.844 5.263 14.951 1.00 0.00 H +HETATM 22 O HOH A 8 18.487 17.925 14.384 1.00 0.00 O +HETATM 23 H1 HOH A 8 19.264 18.093 13.851 1.00 0.00 H +HETATM 24 H2 HOH A 8 18.313 16.991 14.267 1.00 0.00 H +HETATM 25 O HOH A 9 6.620 21.378 7.119 1.00 0.00 O +HETATM 26 H1 HOH A 9 6.460 20.785 6.385 1.00 0.00 H +HETATM 27 H2 HOH A 9 5.925 21.177 7.745 1.00 0.00 H +HETATM 28 O HOH A 10 22.089 8.951 5.666 1.00 0.00 O +HETATM 29 H1 HOH A 10 21.289 8.464 5.470 1.00 0.00 H +HETATM 30 H2 HOH A 10 21.782 9.785 6.021 1.00 0.00 H +HETATM 31 O HOH A 11 19.683 22.416 16.926 1.00 0.00 O +HETATM 32 H1 HOH A 11 18.762 22.504 17.171 1.00 0.00 H +HETATM 33 H2 HOH A 11 19.971 21.611 17.357 1.00 0.00 H +HETATM 34 O HOH A 12 11.855 10.538 4.091 1.00 0.00 O +HETATM 35 H1 HOH A 12 12.158 10.855 4.942 1.00 0.00 H +HETATM 36 H2 HOH A 12 12.656 10.429 3.578 1.00 0.00 H +HETATM 37 O HOH A 13 11.536 17.684 4.114 1.00 0.00 O +HETATM 38 H1 HOH A 13 11.257 16.997 3.508 1.00 0.00 H +HETATM 39 H2 HOH A 13 11.994 17.216 4.812 1.00 0.00 H +HETATM 40 O HOH A 14 5.643 9.429 10.801 1.00 0.00 O +HETATM 41 H1 HOH A 14 5.879 9.777 9.941 1.00 0.00 H +HETATM 42 H2 HOH A 14 4.715 9.207 10.723 1.00 0.00 H +HETATM 43 O HOH A 15 17.209 0.936 17.110 1.00 0.00 O +HETATM 44 H1 HOH A 15 17.460 1.010 16.189 1.00 0.00 H +HETATM 45 H2 HOH A 15 17.100 -0.004 17.254 1.00 0.00 H +HETATM 46 O HOH A 16 14.395 19.635 1.205 1.00 0.00 O +HETATM 47 H1 HOH A 16 14.685 20.236 0.518 1.00 0.00 H +HETATM 48 H2 HOH A 16 13.440 19.711 1.202 1.00 0.00 H +HETATM 49 O HOH A 17 18.031 18.265 18.986 1.00 0.00 O +HETATM 50 H1 HOH A 17 17.970 17.356 18.692 1.00 0.00 H +HETATM 51 H2 HOH A 17 17.215 18.669 18.688 1.00 0.00 H +HETATM 52 O HOH A 18 15.115 1.091 5.803 1.00 0.00 O +HETATM 53 H1 HOH A 18 14.432 0.973 5.142 1.00 0.00 H +HETATM 54 H2 HOH A 18 14.712 1.651 6.467 1.00 0.00 H +HETATM 55 O HOH A 19 15.226 4.311 20.981 1.00 0.00 O +HETATM 56 H1 HOH A 19 14.614 3.587 20.852 1.00 0.00 H +HETATM 57 H2 HOH A 19 15.625 4.443 20.121 1.00 0.00 H +HETATM 58 O HOH A 20 13.158 1.227 3.885 1.00 0.00 O +HETATM 59 H1 HOH A 20 13.484 1.525 3.035 1.00 0.00 H +HETATM 60 H2 HOH A 20 12.599 0.478 3.679 1.00 0.00 H +HETATM 61 O HOH A 21 19.351 12.678 5.265 1.00 0.00 O +HETATM 62 H1 HOH A 21 18.555 12.147 5.257 1.00 0.00 H +HETATM 63 H2 HOH A 21 19.957 12.193 5.825 1.00 0.00 H +HETATM 64 O HOH A 22 19.635 7.760 5.005 1.00 0.00 O +HETATM 65 H1 HOH A 22 19.620 8.062 4.097 1.00 0.00 H +HETATM 66 H2 HOH A 22 19.046 7.006 5.017 1.00 0.00 H +HETATM 67 O HOH A 23 15.774 7.622 13.681 1.00 0.00 O +HETATM 68 H1 HOH A 23 16.030 6.702 13.738 1.00 0.00 H +HETATM 69 H2 HOH A 23 14.817 7.603 13.653 1.00 0.00 H +HETATM 70 O HOH A 24 3.005 6.114 2.285 1.00 0.00 O +HETATM 71 H1 HOH A 24 3.053 6.638 3.085 1.00 0.00 H +HETATM 72 H2 HOH A 24 2.150 6.325 1.911 1.00 0.00 H +HETATM 73 O HOH A 25 5.050 20.360 1.421 1.00 0.00 O +HETATM 74 H1 HOH A 25 4.782 19.856 2.190 1.00 0.00 H +HETATM 75 H2 HOH A 25 4.424 20.111 0.742 1.00 0.00 H +HETATM 76 O HOH A 26 19.832 17.349 10.051 1.00 0.00 O +HETATM 77 H1 HOH A 26 19.826 18.009 9.358 1.00 0.00 H +HETATM 78 H2 HOH A 26 20.216 16.574 9.641 1.00 0.00 H +HETATM 79 O HOH A 27 9.612 10.189 16.337 1.00 0.00 O +HETATM 80 H1 HOH A 27 9.672 9.243 16.470 1.00 0.00 H +HETATM 81 H2 HOH A 27 8.677 10.382 16.412 1.00 0.00 H +HETATM 82 O HOH A 28 13.325 19.067 16.824 1.00 0.00 O +HETATM 83 H1 HOH A 28 12.375 19.141 16.921 1.00 0.00 H +HETATM 84 H2 HOH A 28 13.524 18.168 17.086 1.00 0.00 H +HETATM 85 O HOH A 29 16.769 19.265 12.663 1.00 0.00 O +HETATM 86 H1 HOH A 29 17.270 18.802 13.335 1.00 0.00 H +HETATM 87 H2 HOH A 29 16.011 19.617 13.129 1.00 0.00 H +HETATM 88 O HOH A 30 15.051 3.321 10.052 1.00 0.00 O +HETATM 89 H1 HOH A 30 14.522 4.107 10.185 1.00 0.00 H +HETATM 90 H2 HOH A 30 14.727 2.701 10.705 1.00 0.00 H +HETATM 91 O HOH A 31 6.269 13.276 9.198 1.00 0.00 O +HETATM 92 H1 HOH A 31 5.363 13.456 8.946 1.00 0.00 H +HETATM 93 H2 HOH A 31 6.772 13.403 8.393 1.00 0.00 H +HETATM 94 O HOH A 32 20.045 20.028 18.212 1.00 0.00 O +HETATM 95 H1 HOH A 32 20.817 19.600 18.583 1.00 0.00 H +HETATM 96 H2 HOH A 32 19.318 19.448 18.437 1.00 0.00 H +HETATM 97 O HOH A 33 3.684 21.212 17.378 1.00 0.00 O +HETATM 98 H1 HOH A 33 3.628 21.986 17.938 1.00 0.00 H +HETATM 99 H2 HOH A 33 4.574 21.234 17.026 1.00 0.00 H +HETATM 100 O HOH A 34 3.161 18.168 14.910 1.00 0.00 O +HETATM 101 H1 HOH A 34 3.960 18.330 14.410 1.00 0.00 H +HETATM 102 H2 HOH A 34 2.494 18.702 14.477 1.00 0.00 H +HETATM 103 O HOH A 35 14.217 2.305 1.639 1.00 0.00 O +HETATM 104 H1 HOH A 35 14.162 3.260 1.673 1.00 0.00 H +HETATM 105 H2 HOH A 35 15.117 2.127 1.365 1.00 0.00 H +HETATM 106 O HOH A 36 14.697 1.754 17.830 1.00 0.00 O +HETATM 107 H1 HOH A 36 15.596 1.560 17.566 1.00 0.00 H +HETATM 108 H2 HOH A 36 14.201 0.972 17.587 1.00 0.00 H +HETATM 109 O HOH A 37 2.285 4.626 7.731 1.00 0.00 O +HETATM 110 H1 HOH A 37 1.881 3.760 7.777 1.00 0.00 H +HETATM 111 H2 HOH A 37 2.696 4.654 6.867 1.00 0.00 H +HETATM 112 O HOH A 38 8.344 13.218 1.852 1.00 0.00 O +HETATM 113 H1 HOH A 38 8.587 12.674 1.103 1.00 0.00 H +HETATM 114 H2 HOH A 38 9.054 13.092 2.481 1.00 0.00 H +HETATM 115 O HOH A 39 10.688 4.970 16.634 1.00 0.00 O +HETATM 116 H1 HOH A 39 11.572 4.789 16.953 1.00 0.00 H +HETATM 117 H2 HOH A 39 10.640 4.517 15.792 1.00 0.00 H +HETATM 118 O HOH A 40 14.359 11.756 20.991 1.00 0.00 O +HETATM 119 H1 HOH A 40 15.256 11.510 21.216 1.00 0.00 H +HETATM 120 H2 HOH A 40 14.440 12.234 20.166 1.00 0.00 H +HETATM 121 O HOH A 41 3.593 6.663 14.202 1.00 0.00 O +HETATM 122 H1 HOH A 41 3.661 5.966 14.855 1.00 0.00 H +HETATM 123 H2 HOH A 41 3.655 6.211 13.361 1.00 0.00 H +HETATM 124 O HOH A 42 10.610 19.036 17.387 1.00 0.00 O +HETATM 125 H1 HOH A 42 10.914 18.966 18.292 1.00 0.00 H +HETATM 126 H2 HOH A 42 10.033 18.282 17.269 1.00 0.00 H +HETATM 127 O HOH A 43 5.599 8.581 14.429 1.00 0.00 O +HETATM 128 H1 HOH A 43 6.115 8.214 13.711 1.00 0.00 H +HETATM 129 H2 HOH A 43 4.936 7.915 14.612 1.00 0.00 H +HETATM 130 O HOH A 44 18.256 10.867 19.180 1.00 0.00 O +HETATM 131 H1 HOH A 44 17.797 10.041 19.026 1.00 0.00 H +HETATM 132 H2 HOH A 44 19.177 10.664 19.018 1.00 0.00 H +HETATM 133 O HOH A 45 13.232 4.031 17.371 1.00 0.00 O +HETATM 134 H1 HOH A 45 13.258 4.582 18.152 1.00 0.00 H +HETATM 135 H2 HOH A 45 13.852 3.324 17.555 1.00 0.00 H +HETATM 136 O HOH A 46 9.747 9.492 13.610 1.00 0.00 O +HETATM 137 H1 HOH A 46 9.699 10.041 14.392 1.00 0.00 H +HETATM 138 H2 HOH A 46 9.207 9.948 12.963 1.00 0.00 H +HETATM 139 O HOH A 47 2.812 12.906 16.503 1.00 0.00 O +HETATM 140 H1 HOH A 47 3.428 13.623 16.348 1.00 0.00 H +HETATM 141 H2 HOH A 47 2.621 12.562 15.630 1.00 0.00 H +HETATM 142 O HOH A 48 2.537 17.891 9.558 1.00 0.00 O +HETATM 143 H1 HOH A 48 2.827 18.503 10.235 1.00 0.00 H +HETATM 144 H2 HOH A 48 2.621 18.381 8.740 1.00 0.00 H +HETATM 145 O HOH A 49 20.632 10.957 7.072 1.00 0.00 O +HETATM 146 H1 HOH A 49 20.214 10.118 7.269 1.00 0.00 H +HETATM 147 H2 HOH A 49 20.672 11.409 7.915 1.00 0.00 H +HETATM 148 O HOH A 50 9.883 20.956 3.204 1.00 0.00 O +HETATM 149 H1 HOH A 50 9.656 20.417 3.962 1.00 0.00 H +HETATM 150 H2 HOH A 50 9.061 21.050 2.722 1.00 0.00 H +HETATM 151 O HOH A 51 5.572 4.525 15.720 1.00 0.00 O +HETATM 152 H1 HOH A 51 5.036 4.046 15.088 1.00 0.00 H +HETATM 153 H2 HOH A 51 6.444 4.549 15.326 1.00 0.00 H +HETATM 154 O HOH A 52 18.509 3.395 5.683 1.00 0.00 O +HETATM 155 H1 HOH A 52 18.262 4.247 5.324 1.00 0.00 H +HETATM 156 H2 HOH A 52 19.278 3.576 6.223 1.00 0.00 H +HETATM 157 O HOH A 53 11.344 14.185 5.848 1.00 0.00 O +HETATM 158 H1 HOH A 53 11.981 14.893 5.942 1.00 0.00 H +HETATM 159 H2 HOH A 53 10.506 14.584 6.082 1.00 0.00 H +HETATM 160 O HOH A 54 10.064 5.577 6.897 1.00 0.00 O +HETATM 161 H1 HOH A 54 10.076 5.639 5.942 1.00 0.00 H +HETATM 162 H2 HOH A 54 10.339 6.443 7.197 1.00 0.00 H +HETATM 163 O HOH A 55 10.491 15.613 2.613 1.00 0.00 O +HETATM 164 H1 HOH A 55 9.626 15.743 3.002 1.00 0.00 H +HETATM 165 H2 HOH A 55 10.672 14.681 2.737 1.00 0.00 H +HETATM 166 O HOH A 56 5.661 16.904 1.806 1.00 0.00 O +HETATM 167 H1 HOH A 56 6.453 17.407 1.615 1.00 0.00 H +HETATM 168 H2 HOH A 56 5.125 17.494 2.337 1.00 0.00 H +HETATM 169 O HOH A 57 -0.673 9.434 18.469 1.00 0.00 O +HETATM 170 H1 HOH A 57 -0.015 10.120 18.357 1.00 0.00 H +HETATM 171 H2 HOH A 57 -0.166 8.639 18.633 1.00 0.00 H +HETATM 172 O HOH A 58 12.353 12.853 11.728 1.00 0.00 O +HETATM 173 H1 HOH A 58 13.208 12.557 12.041 1.00 0.00 H +HETATM 174 H2 HOH A 58 12.334 12.600 10.805 1.00 0.00 H +HETATM 175 O HOH A 59 19.230 4.964 15.024 1.00 0.00 O +HETATM 176 H1 HOH A 59 19.589 4.202 15.479 1.00 0.00 H +HETATM 177 H2 HOH A 59 19.827 5.110 14.290 1.00 0.00 H +HETATM 178 O HOH A 60 10.984 1.909 19.232 1.00 0.00 O +HETATM 179 H1 HOH A 60 11.149 1.579 18.348 1.00 0.00 H +HETATM 180 H2 HOH A 60 10.235 2.496 19.133 1.00 0.00 H +HETATM 181 O HOH A 61 8.907 20.494 8.330 1.00 0.00 O +HETATM 182 H1 HOH A 61 8.317 21.015 7.785 1.00 0.00 H +HETATM 183 H2 HOH A 61 9.785 20.779 8.075 1.00 0.00 H +HETATM 184 O HOH A 62 17.719 5.848 4.640 1.00 0.00 O +HETATM 185 H1 HOH A 62 17.503 5.791 3.709 1.00 0.00 H +HETATM 186 H2 HOH A 62 16.876 5.985 5.073 1.00 0.00 H +HETATM 187 O HOH A 63 16.757 5.810 2.045 1.00 0.00 O +HETATM 188 H1 HOH A 63 15.872 5.457 2.139 1.00 0.00 H +HETATM 189 H2 HOH A 63 17.208 5.179 1.484 1.00 0.00 H +HETATM 190 O HOH A 64 14.028 2.912 7.502 1.00 0.00 O +HETATM 191 H1 HOH A 64 14.579 3.008 8.278 1.00 0.00 H +HETATM 192 H2 HOH A 64 13.157 3.182 7.791 1.00 0.00 H +HETATM 193 O HOH A 65 17.455 16.832 11.352 1.00 0.00 O +HETATM 194 H1 HOH A 65 17.088 17.692 11.558 1.00 0.00 H +HETATM 195 H2 HOH A 65 18.244 17.024 10.846 1.00 0.00 H +HETATM 196 O HOH A 66 2.399 3.875 18.415 1.00 0.00 O +HETATM 197 H1 HOH A 66 1.477 4.041 18.222 1.00 0.00 H +HETATM 198 H2 HOH A 66 2.692 4.659 18.881 1.00 0.00 H +HETATM 199 O HOH A 67 4.792 20.455 9.091 1.00 0.00 O +HETATM 200 H1 HOH A 67 4.225 20.064 8.426 1.00 0.00 H +HETATM 201 H2 HOH A 67 4.303 20.363 9.909 1.00 0.00 H +HETATM 202 O HOH A 68 14.533 7.727 2.992 1.00 0.00 O +HETATM 203 H1 HOH A 68 15.399 7.622 2.597 1.00 0.00 H +HETATM 204 H2 HOH A 68 14.288 8.632 2.796 1.00 0.00 H +HETATM 205 O HOH A 69 12.824 16.449 6.173 1.00 0.00 O +HETATM 206 H1 HOH A 69 12.563 16.955 6.942 1.00 0.00 H +HETATM 207 H2 HOH A 69 13.728 16.715 6.006 1.00 0.00 H +HETATM 208 O HOH A 70 17.898 15.351 13.594 1.00 0.00 O +HETATM 209 H1 HOH A 70 17.851 14.416 13.396 1.00 0.00 H +HETATM 210 H2 HOH A 70 17.679 15.783 12.768 1.00 0.00 H +HETATM 211 O HOH A 71 10.257 13.235 13.406 1.00 0.00 O +HETATM 212 H1 HOH A 71 10.715 13.087 14.234 1.00 0.00 H +HETATM 213 H2 HOH A 71 10.927 13.106 12.735 1.00 0.00 H +HETATM 214 O HOH A 72 3.726 5.360 11.728 1.00 0.00 O +HETATM 215 H1 HOH A 72 4.517 5.408 11.190 1.00 0.00 H +HETATM 216 H2 HOH A 72 3.022 5.648 11.147 1.00 0.00 H +HETATM 217 O HOH A 73 3.783 -0.594 18.936 1.00 0.00 O +HETATM 218 H1 HOH A 73 4.102 0.306 18.872 1.00 0.00 H +HETATM 219 H2 HOH A 73 3.368 -0.641 19.797 1.00 0.00 H +HETATM 220 O HOH A 74 8.021 18.293 1.853 1.00 0.00 O +HETATM 221 H1 HOH A 74 8.831 18.104 1.380 1.00 0.00 H +HETATM 222 H2 HOH A 74 7.909 19.240 1.768 1.00 0.00 H +HETATM 223 O HOH A 75 14.866 10.924 -0.320 1.00 0.00 O +HETATM 224 H1 HOH A 75 15.710 10.823 -0.760 1.00 0.00 H +HETATM 225 H2 HOH A 75 14.277 11.245 -1.003 1.00 0.00 H +HETATM 226 O HOH A 76 18.078 18.891 -0.353 1.00 0.00 O +HETATM 227 H1 HOH A 76 18.957 18.840 0.021 1.00 0.00 H +HETATM 228 H2 HOH A 76 17.513 18.482 0.303 1.00 0.00 H +HETATM 229 O HOH A 77 18.496 6.427 17.229 1.00 0.00 O +HETATM 230 H1 HOH A 77 17.917 7.100 16.869 1.00 0.00 H +HETATM 231 H2 HOH A 77 18.840 5.971 16.461 1.00 0.00 H +HETATM 232 O HOH A 78 15.399 10.247 12.902 1.00 0.00 O +HETATM 233 H1 HOH A 78 15.573 9.329 13.109 1.00 0.00 H +HETATM 234 H2 HOH A 78 15.833 10.736 13.601 1.00 0.00 H +HETATM 235 O HOH A 79 11.729 19.854 1.451 1.00 0.00 O +HETATM 236 H1 HOH A 79 11.139 20.259 2.086 1.00 0.00 H +HETATM 237 H2 HOH A 79 11.252 19.086 1.136 1.00 0.00 H +HETATM 238 O HOH A 80 6.490 10.596 8.544 1.00 0.00 O +HETATM 239 H1 HOH A 80 6.567 11.475 8.916 1.00 0.00 H +HETATM 240 H2 HOH A 80 6.185 10.741 7.649 1.00 0.00 H +HETATM 241 O HOH A 81 10.820 8.078 7.675 1.00 0.00 O +HETATM 242 H1 HOH A 81 10.069 8.395 8.176 1.00 0.00 H +HETATM 243 H2 HOH A 81 11.569 8.211 8.256 1.00 0.00 H +HETATM 244 O HOH A 82 13.806 16.590 17.949 1.00 0.00 O +HETATM 245 H1 HOH A 82 13.460 15.708 17.811 1.00 0.00 H +HETATM 246 H2 HOH A 82 14.751 16.465 18.038 1.00 0.00 H +HETATM 247 O HOH A 83 20.491 2.523 19.114 1.00 0.00 O +HETATM 248 H1 HOH A 83 19.534 2.508 19.152 1.00 0.00 H +HETATM 249 H2 HOH A 83 20.758 1.672 19.460 1.00 0.00 H +HETATM 250 O HOH A 84 17.503 20.290 15.514 1.00 0.00 O +HETATM 251 H1 HOH A 84 17.865 19.416 15.366 1.00 0.00 H +HETATM 252 H2 HOH A 84 18.053 20.869 14.986 1.00 0.00 H +HETATM 253 O HOH A 85 8.987 15.508 6.240 1.00 0.00 O +HETATM 254 H1 HOH A 85 8.637 15.790 5.395 1.00 0.00 H +HETATM 255 H2 HOH A 85 8.885 16.271 6.808 1.00 0.00 H +HETATM 256 O HOH A 86 16.755 8.194 16.170 1.00 0.00 O +HETATM 257 H1 HOH A 86 16.347 7.951 15.339 1.00 0.00 H +HETATM 258 H2 HOH A 86 16.133 8.800 16.574 1.00 0.00 H +HETATM 259 O HOH A 87 6.602 17.478 9.465 1.00 0.00 O +HETATM 260 H1 HOH A 87 6.048 17.021 10.098 1.00 0.00 H +HETATM 261 H2 HOH A 87 6.793 18.321 9.878 1.00 0.00 H +HETATM 262 O HOH A 88 5.935 6.087 21.464 1.00 0.00 O +HETATM 263 H1 HOH A 88 6.010 5.133 21.498 1.00 0.00 H +HETATM 264 H2 HOH A 88 5.138 6.247 20.958 1.00 0.00 H +HETATM 265 O HOH A 89 15.978 21.657 19.737 1.00 0.00 O +HETATM 266 H1 HOH A 89 16.526 21.126 20.314 1.00 0.00 H +HETATM 267 H2 HOH A 89 15.492 22.231 20.328 1.00 0.00 H +HETATM 268 O HOH A 90 10.267 7.204 2.313 1.00 0.00 O +HETATM 269 H1 HOH A 90 9.364 6.902 2.412 1.00 0.00 H +HETATM 270 H2 HOH A 90 10.510 7.523 3.182 1.00 0.00 H +HETATM 271 O HOH A 91 21.011 2.307 9.523 1.00 0.00 O +HETATM 272 H1 HOH A 91 21.703 1.675 9.714 1.00 0.00 H +HETATM 273 H2 HOH A 91 20.203 1.794 9.545 1.00 0.00 H +HETATM 274 O HOH A 92 7.661 21.026 1.554 1.00 0.00 O +HETATM 275 H1 HOH A 92 6.718 20.858 1.576 1.00 0.00 H +HETATM 276 H2 HOH A 92 7.770 21.692 0.875 1.00 0.00 H +HETATM 277 O HOH A 93 17.094 1.756 3.984 1.00 0.00 O +HETATM 278 H1 HOH A 93 17.672 2.303 4.516 1.00 0.00 H +HETATM 279 H2 HOH A 93 16.405 1.478 4.588 1.00 0.00 H +HETATM 280 O HOH A 94 12.327 9.152 16.411 1.00 0.00 O +HETATM 281 H1 HOH A 94 12.136 8.676 17.218 1.00 0.00 H +HETATM 282 H2 HOH A 94 11.549 9.688 16.258 1.00 0.00 H +HETATM 283 O HOH A 95 2.852 7.351 4.790 1.00 0.00 O +HETATM 284 H1 HOH A 95 2.055 7.589 5.263 1.00 0.00 H +HETATM 285 H2 HOH A 95 3.526 7.927 5.151 1.00 0.00 H +HETATM 286 O HOH A 96 15.385 23.028 14.846 1.00 0.00 O +HETATM 287 H1 HOH A 96 14.564 22.536 14.853 1.00 0.00 H +HETATM 288 H2 HOH A 96 15.822 22.777 15.660 1.00 0.00 H +HETATM 289 O HOH A 97 14.118 9.440 19.498 1.00 0.00 O +HETATM 290 H1 HOH A 97 13.988 10.142 20.137 1.00 0.00 H +HETATM 291 H2 HOH A 97 13.257 9.031 19.413 1.00 0.00 H +HETATM 292 O HOH A 98 16.959 12.074 10.256 1.00 0.00 O +HETATM 293 H1 HOH A 98 16.909 12.960 9.897 1.00 0.00 H +HETATM 294 H2 HOH A 98 17.102 12.203 11.194 1.00 0.00 H +HETATM 295 O HOH A 99 14.866 10.087 16.985 1.00 0.00 O +HETATM 296 H1 HOH A 99 14.048 9.853 16.546 1.00 0.00 H +HETATM 297 H2 HOH A 99 14.743 9.803 17.890 1.00 0.00 H +HETATM 298 O HOH A 100 6.660 14.240 11.712 1.00 0.00 O +HETATM 299 H1 HOH A 100 6.828 13.495 12.291 1.00 0.00 H +HETATM 300 H2 HOH A 100 6.593 13.854 10.839 1.00 0.00 H +HETATM 301 O HOH A 101 17.511 0.602 14.390 1.00 0.00 O +HETATM 302 H1 HOH A 101 16.710 0.078 14.405 1.00 0.00 H +HETATM 303 H2 HOH A 101 17.275 1.386 13.894 1.00 0.00 H +HETATM 304 O HOH A 102 10.329 1.199 12.994 1.00 0.00 O +HETATM 305 H1 HOH A 102 9.503 0.963 12.571 1.00 0.00 H +HETATM 306 H2 HOH A 102 11.000 0.993 12.342 1.00 0.00 H +HETATM 307 O HOH A 103 9.173 3.933 18.772 1.00 0.00 O +HETATM 308 H1 HOH A 103 8.245 3.782 18.591 1.00 0.00 H +HETATM 309 H2 HOH A 103 9.508 4.348 17.977 1.00 0.00 H +HETATM 310 O HOH A 104 20.193 4.697 10.642 1.00 0.00 O +HETATM 311 H1 HOH A 104 19.269 4.466 10.738 1.00 0.00 H +HETATM 312 H2 HOH A 104 20.619 3.880 10.383 1.00 0.00 H +HETATM 313 O HOH A 105 6.560 3.483 18.137 1.00 0.00 O +HETATM 314 H1 HOH A 105 6.155 3.803 17.330 1.00 0.00 H +HETATM 315 H2 HOH A 105 5.898 2.911 18.526 1.00 0.00 H +HETATM 316 O HOH A 106 2.114 13.590 19.092 1.00 0.00 O +HETATM 317 H1 HOH A 106 2.317 13.408 18.174 1.00 0.00 H +HETATM 318 H2 HOH A 106 2.423 14.485 19.233 1.00 0.00 H +HETATM 319 O HOH A 107 2.995 19.403 7.267 1.00 0.00 O +HETATM 320 H1 HOH A 107 3.086 18.703 6.620 1.00 0.00 H +HETATM 321 H2 HOH A 107 2.446 20.058 6.836 1.00 0.00 H +HETATM 322 O HOH A 108 17.765 3.293 10.564 1.00 0.00 O +HETATM 323 H1 HOH A 108 16.904 3.413 10.165 1.00 0.00 H +HETATM 324 H2 HOH A 108 18.091 2.474 10.192 1.00 0.00 H +HETATM 325 O HOH A 109 10.589 20.529 15.024 1.00 0.00 O +HETATM 326 H1 HOH A 109 9.804 20.291 14.532 1.00 0.00 H +HETATM 327 H2 HOH A 109 10.495 20.075 15.862 1.00 0.00 H +HETATM 328 O HOH A 110 21.054 6.479 8.760 1.00 0.00 O +HETATM 329 H1 HOH A 110 21.978 6.679 8.909 1.00 0.00 H +HETATM 330 H2 HOH A 110 20.783 5.999 9.543 1.00 0.00 H +HETATM 331 O HOH A 111 19.185 10.428 16.125 1.00 0.00 O +HETATM 332 H1 HOH A 111 19.835 10.940 15.645 1.00 0.00 H +HETATM 333 H2 HOH A 111 19.661 10.083 16.881 1.00 0.00 H +HETATM 334 O HOH A 112 0.173 19.009 17.208 1.00 0.00 O +HETATM 335 H1 HOH A 112 1.061 18.776 17.479 1.00 0.00 H +HETATM 336 H2 HOH A 112 -0.326 18.198 17.300 1.00 0.00 H +HETATM 337 O HOH A 113 13.637 3.816 4.914 1.00 0.00 O +HETATM 338 H1 HOH A 113 13.833 3.600 5.826 1.00 0.00 H +HETATM 339 H2 HOH A 113 13.348 2.989 4.529 1.00 0.00 H +HETATM 340 O HOH A 114 11.715 17.565 19.537 1.00 0.00 O +HETATM 341 H1 HOH A 114 12.535 17.349 19.092 1.00 0.00 H +HETATM 342 H2 HOH A 114 11.261 16.727 19.623 1.00 0.00 H +HETATM 343 O HOH A 115 16.555 5.057 14.344 1.00 0.00 O +HETATM 344 H1 HOH A 115 17.454 5.089 14.672 1.00 0.00 H +HETATM 345 H2 HOH A 115 16.498 4.222 13.880 1.00 0.00 H +HETATM 346 O HOH A 116 3.436 19.759 11.408 1.00 0.00 O +HETATM 347 H1 HOH A 116 2.659 19.854 11.960 1.00 0.00 H +HETATM 348 H2 HOH A 116 4.126 19.482 12.011 1.00 0.00 H +HETATM 349 O HOH A 117 13.147 21.464 15.411 1.00 0.00 O +HETATM 350 H1 HOH A 117 13.417 20.662 15.858 1.00 0.00 H +HETATM 351 H2 HOH A 117 12.252 21.288 15.122 1.00 0.00 H +HETATM 352 O HOH A 118 -0.322 7.465 8.713 1.00 0.00 O +HETATM 353 H1 HOH A 118 -0.031 7.443 7.801 1.00 0.00 H +HETATM 354 H2 HOH A 118 -0.486 8.392 8.890 1.00 0.00 H +HETATM 355 O HOH A 119 2.313 8.268 18.662 1.00 0.00 O +HETATM 356 H1 HOH A 119 2.934 8.097 17.954 1.00 0.00 H +HETATM 357 H2 HOH A 119 2.144 9.208 18.612 1.00 0.00 H +HETATM 358 O HOH A 120 18.159 6.861 -0.227 1.00 0.00 O +HETATM 359 H1 HOH A 120 18.395 5.935 -0.281 1.00 0.00 H +HETATM 360 H2 HOH A 120 17.634 6.928 0.570 1.00 0.00 H +HETATM 361 O HOH A 121 20.295 2.846 16.334 1.00 0.00 O +HETATM 362 H1 HOH A 121 20.266 1.912 16.126 1.00 0.00 H +HETATM 363 H2 HOH A 121 20.489 2.877 17.271 1.00 0.00 H +HETATM 364 O HOH A 122 16.847 10.796 21.640 1.00 0.00 O +HETATM 365 H1 HOH A 122 17.131 9.886 21.734 1.00 0.00 H +HETATM 366 H2 HOH A 122 17.424 11.159 20.968 1.00 0.00 H +HETATM 367 O HOH A 123 16.942 1.718 1.331 1.00 0.00 O +HETATM 368 H1 HOH A 123 17.231 0.833 1.106 1.00 0.00 H +HETATM 369 H2 HOH A 123 17.011 1.757 2.285 1.00 0.00 H +HETATM 370 O HOH A 124 14.807 10.263 10.262 1.00 0.00 O +HETATM 371 H1 HOH A 124 15.547 10.810 9.997 1.00 0.00 H +HETATM 372 H2 HOH A 124 14.897 10.181 11.211 1.00 0.00 H +HETATM 373 O HOH A 125 12.983 7.736 13.987 1.00 0.00 O +HETATM 374 H1 HOH A 125 12.683 8.283 14.713 1.00 0.00 H +HETATM 375 H2 HOH A 125 13.144 6.880 14.382 1.00 0.00 H +HETATM 376 O HOH A 126 17.455 1.362 7.262 1.00 0.00 O +HETATM 377 H1 HOH A 126 17.826 2.077 6.745 1.00 0.00 H +HETATM 378 H2 HOH A 126 16.657 1.116 6.793 1.00 0.00 H +HETATM 379 O HOH A 127 16.757 11.236 15.176 1.00 0.00 O +HETATM 380 H1 HOH A 127 17.581 10.865 15.492 1.00 0.00 H +HETATM 381 H2 HOH A 127 16.101 10.930 15.802 1.00 0.00 H +HETATM 382 O HOH A 128 10.598 3.503 14.297 1.00 0.00 O +HETATM 383 H1 HOH A 128 10.485 2.638 13.904 1.00 0.00 H +HETATM 384 H2 HOH A 128 10.892 4.058 13.574 1.00 0.00 H +HETATM 385 O HOH A 129 7.989 4.469 14.411 1.00 0.00 O +HETATM 386 H1 HOH A 129 8.228 5.372 14.202 1.00 0.00 H +HETATM 387 H2 HOH A 129 8.826 4.016 14.513 1.00 0.00 H +HETATM 388 O HOH A 130 3.557 6.061 19.819 1.00 0.00 O +HETATM 389 H1 HOH A 130 2.962 6.810 19.784 1.00 0.00 H +HETATM 390 H2 HOH A 130 4.083 6.135 19.022 1.00 0.00 H +HETATM 391 O HOH A 131 6.610 7.335 12.174 1.00 0.00 O +HETATM 392 H1 HOH A 131 6.459 6.610 11.568 1.00 0.00 H +HETATM 393 H2 HOH A 131 6.323 8.112 11.694 1.00 0.00 H +HETATM 394 O HOH A 132 4.333 2.138 19.249 1.00 0.00 O +HETATM 395 H1 HOH A 132 4.368 2.520 20.126 1.00 0.00 H +HETATM 396 H2 HOH A 132 3.627 2.611 18.809 1.00 0.00 H +HETATM 397 O HOH A 133 19.072 15.068 3.900 1.00 0.00 O +HETATM 398 H1 HOH A 133 19.092 14.299 4.469 1.00 0.00 H +HETATM 399 H2 HOH A 133 19.856 14.986 3.357 1.00 0.00 H +HETATM 400 O HOH A 134 6.559 13.381 15.951 1.00 0.00 O +HETATM 401 H1 HOH A 134 5.790 13.938 16.071 1.00 0.00 H +HETATM 402 H2 HOH A 134 6.640 12.903 16.777 1.00 0.00 H +HETATM 403 O HOH A 135 20.915 11.847 14.627 1.00 0.00 O +HETATM 404 H1 HOH A 135 20.635 11.574 13.753 1.00 0.00 H +HETATM 405 H2 HOH A 135 21.744 12.303 14.481 1.00 0.00 H +HETATM 406 O HOH A 136 10.846 4.557 11.716 1.00 0.00 O +HETATM 407 H1 HOH A 136 10.284 5.290 11.462 1.00 0.00 H +HETATM 408 H2 HOH A 136 10.513 3.814 11.213 1.00 0.00 H +HETATM 409 O HOH A 137 6.781 10.463 20.451 1.00 0.00 O +HETATM 410 H1 HOH A 137 7.208 9.609 20.515 1.00 0.00 H +HETATM 411 H2 HOH A 137 6.014 10.391 21.020 1.00 0.00 H +HETATM 412 O HOH A 138 4.092 3.462 13.638 1.00 0.00 O +HETATM 413 H1 HOH A 138 3.315 2.904 13.671 1.00 0.00 H +HETATM 414 H2 HOH A 138 3.919 4.070 12.919 1.00 0.00 H +HETATM 415 O HOH A 139 9.427 6.698 10.570 1.00 0.00 O +HETATM 416 H1 HOH A 139 8.952 7.359 10.066 1.00 0.00 H +HETATM 417 H2 HOH A 139 10.117 7.189 11.018 1.00 0.00 H +HETATM 418 O HOH A 140 5.938 5.649 10.089 1.00 0.00 O +HETATM 419 H1 HOH A 140 5.794 6.238 9.348 1.00 0.00 H +HETATM 420 H2 HOH A 140 6.649 5.075 9.804 1.00 0.00 H +HETATM 421 O HOH A 141 4.109 5.140 -0.150 1.00 0.00 O +HETATM 422 H1 HOH A 141 3.797 5.372 0.724 1.00 0.00 H +HETATM 423 H2 HOH A 141 4.784 5.789 -0.345 1.00 0.00 H +HETATM 424 O HOH A 142 1.937 6.305 9.836 1.00 0.00 O +HETATM 425 H1 HOH A 142 1.075 6.652 9.607 1.00 0.00 H +HETATM 426 H2 HOH A 142 2.168 5.733 9.104 1.00 0.00 H +HETATM 427 O HOH A 143 10.562 12.944 3.496 1.00 0.00 O +HETATM 428 H1 HOH A 143 10.884 12.044 3.544 1.00 0.00 H +HETATM 429 H2 HOH A 143 10.814 13.335 4.333 1.00 0.00 H +HETATM 430 O HOH A 144 14.228 1.539 12.062 1.00 0.00 O +HETATM 431 H1 HOH A 144 14.241 0.905 12.779 1.00 0.00 H +HETATM 432 H2 HOH A 144 13.406 1.366 11.604 1.00 0.00 H +HETATM 433 O HOH A 145 5.101 16.431 11.518 1.00 0.00 O +HETATM 434 H1 HOH A 145 5.595 15.621 11.644 1.00 0.00 H +HETATM 435 H2 HOH A 145 4.192 16.186 11.691 1.00 0.00 H +HETATM 436 O HOH A 146 17.916 4.053 0.313 1.00 0.00 O +HETATM 437 H1 HOH A 146 17.632 3.221 0.692 1.00 0.00 H +HETATM 438 H2 HOH A 146 17.972 3.882 -0.627 1.00 0.00 H +HETATM 439 O HOH A 147 17.478 13.038 17.651 1.00 0.00 O +HETATM 440 H1 HOH A 147 17.746 12.743 16.780 1.00 0.00 H +HETATM 441 H2 HOH A 147 17.847 12.388 18.249 1.00 0.00 H +HETATM 442 O HOH A 148 17.825 8.263 21.520 1.00 0.00 O +HETATM 443 H1 HOH A 148 18.530 7.979 20.939 1.00 0.00 H +HETATM 444 H2 HOH A 148 17.982 7.789 22.337 1.00 0.00 H +HETATM 445 O HOH A 149 5.079 8.809 5.654 1.00 0.00 O +HETATM 446 H1 HOH A 149 5.792 8.611 5.047 1.00 0.00 H +HETATM 447 H2 HOH A 149 5.177 9.742 5.845 1.00 0.00 H +HETATM 448 O HOH A 150 18.931 19.285 5.497 1.00 0.00 O +HETATM 449 H1 HOH A 150 18.511 18.546 5.058 1.00 0.00 H +HETATM 450 H2 HOH A 150 18.628 20.054 5.014 1.00 0.00 H +HETATM 451 O HOH A 151 18.882 20.942 11.912 1.00 0.00 O +HETATM 452 H1 HOH A 151 18.965 21.507 12.680 1.00 0.00 H +HETATM 453 H2 HOH A 151 18.041 20.499 12.030 1.00 0.00 H +HETATM 454 O HOH A 152 17.701 12.625 12.921 1.00 0.00 O +HETATM 455 H1 HOH A 152 18.509 12.134 12.774 1.00 0.00 H +HETATM 456 H2 HOH A 152 17.327 12.241 13.714 1.00 0.00 H +HETATM 457 O HOH A 153 22.811 19.130 13.547 1.00 0.00 O +HETATM 458 H1 HOH A 153 22.529 19.476 14.394 1.00 0.00 H +HETATM 459 H2 HOH A 153 21.997 18.917 13.092 1.00 0.00 H +HETATM 460 O HOH A 154 12.540 11.474 9.292 1.00 0.00 O +HETATM 461 H1 HOH A 154 11.795 10.972 9.624 1.00 0.00 H +HETATM 462 H2 HOH A 154 13.308 10.979 9.574 1.00 0.00 H +HETATM 463 O HOH A 155 3.333 4.700 5.146 1.00 0.00 O +HETATM 464 H1 HOH A 155 3.247 4.342 4.263 1.00 0.00 H +HETATM 465 H2 HOH A 155 3.171 5.638 5.042 1.00 0.00 H +HETATM 466 O HOH A 156 9.670 11.442 7.739 1.00 0.00 O +HETATM 467 H1 HOH A 156 9.842 11.031 8.586 1.00 0.00 H +HETATM 468 H2 HOH A 156 10.492 11.351 7.257 1.00 0.00 H +HETATM 469 O HOH A 157 13.206 -0.347 17.071 1.00 0.00 O +HETATM 470 H1 HOH A 157 12.489 0.210 16.768 1.00 0.00 H +HETATM 471 H2 HOH A 157 13.131 -1.143 16.545 1.00 0.00 H +HETATM 472 O HOH A 158 16.864 22.297 17.227 1.00 0.00 O +HETATM 473 H1 HOH A 158 16.526 22.047 18.086 1.00 0.00 H +HETATM 474 H2 HOH A 158 16.992 21.466 16.769 1.00 0.00 H +HETATM 475 O HOH A 159 16.619 5.053 18.685 1.00 0.00 O +HETATM 476 H1 HOH A 159 17.308 5.360 18.097 1.00 0.00 H +HETATM 477 H2 HOH A 159 16.260 5.852 19.071 1.00 0.00 H +HETATM 478 O HOH A 160 9.215 16.694 17.512 1.00 0.00 O +HETATM 479 H1 HOH A 160 9.351 16.299 18.373 1.00 0.00 H +HETATM 480 H2 HOH A 160 9.239 15.956 16.903 1.00 0.00 H +HETATM 481 O HOH A 161 7.229 20.035 10.398 1.00 0.00 O +HETATM 482 H1 HOH A 161 6.390 20.323 10.037 1.00 0.00 H +HETATM 483 H2 HOH A 161 7.871 20.263 9.726 1.00 0.00 H +HETATM 484 O HOH A 162 11.620 1.857 16.488 1.00 0.00 O +HETATM 485 H1 HOH A 162 12.203 2.581 16.715 1.00 0.00 H +HETATM 486 H2 HOH A 162 11.164 2.154 15.700 1.00 0.00 H +HETATM 487 O HOH A 163 11.920 0.927 10.765 1.00 0.00 O +HETATM 488 H1 HOH A 163 12.048 0.119 10.267 1.00 0.00 H +HETATM 489 H2 HOH A 163 11.277 1.422 10.257 1.00 0.00 H +HETATM 490 O HOH A 164 15.861 7.364 19.809 1.00 0.00 O +HETATM 491 H1 HOH A 164 15.237 8.085 19.721 1.00 0.00 H +HETATM 492 H2 HOH A 164 16.475 7.658 20.481 1.00 0.00 H +HETATM 493 O HOH A 165 11.354 7.329 -0.207 1.00 0.00 O +HETATM 494 H1 HOH A 165 10.920 7.341 0.646 1.00 0.00 H +HETATM 495 H2 HOH A 165 12.246 7.039 -0.019 1.00 0.00 H +HETATM 496 O HOH A 166 12.627 14.065 17.825 1.00 0.00 O +HETATM 497 H1 HOH A 166 12.137 13.585 17.157 1.00 0.00 H +HETATM 498 H2 HOH A 166 13.383 13.510 18.014 1.00 0.00 H +HETATM 499 O HOH A 167 10.824 4.566 20.843 1.00 0.00 O +HETATM 500 H1 HOH A 167 11.027 3.716 21.235 1.00 0.00 H +HETATM 501 H2 HOH A 167 10.181 4.369 20.162 1.00 0.00 H +HETATM 502 O HOH A 168 6.659 17.067 16.570 1.00 0.00 O +HETATM 503 H1 HOH A 168 7.523 17.001 16.978 1.00 0.00 H +HETATM 504 H2 HOH A 168 6.829 17.453 15.710 1.00 0.00 H +HETATM 505 O HOH A 169 8.647 15.514 13.181 1.00 0.00 O +HETATM 506 H1 HOH A 169 9.344 14.871 13.048 1.00 0.00 H +HETATM 507 H2 HOH A 169 7.941 15.225 12.603 1.00 0.00 H +HETATM 508 O HOH A 170 17.799 2.612 19.155 1.00 0.00 O +HETATM 509 H1 HOH A 170 17.347 3.421 18.913 1.00 0.00 H +HETATM 510 H2 HOH A 170 17.567 1.992 18.464 1.00 0.00 H +HETATM 511 O HOH A 171 6.628 2.700 12.800 1.00 0.00 O +HETATM 512 H1 HOH A 171 7.138 3.319 13.323 1.00 0.00 H +HETATM 513 H2 HOH A 171 5.720 2.857 13.061 1.00 0.00 H +HETATM 514 O HOH A 172 8.066 0.934 11.396 1.00 0.00 O +HETATM 515 H1 HOH A 172 7.520 1.552 11.882 1.00 0.00 H +HETATM 516 H2 HOH A 172 7.494 0.185 11.233 1.00 0.00 H +HETATM 517 O HOH A 173 13.781 19.378 3.923 1.00 0.00 O +HETATM 518 H1 HOH A 173 12.947 18.912 3.860 1.00 0.00 H +HETATM 519 H2 HOH A 173 14.040 19.529 3.014 1.00 0.00 H +HETATM 520 O HOH A 174 3.077 8.689 10.593 1.00 0.00 O +HETATM 521 H1 HOH A 174 2.696 7.854 10.319 1.00 0.00 H +HETATM 522 H2 HOH A 174 2.784 8.801 11.498 1.00 0.00 H +HETATM 523 O HOH A 175 2.440 15.276 10.269 1.00 0.00 O +HETATM 524 H1 HOH A 175 2.291 15.413 11.204 1.00 0.00 H +HETATM 525 H2 HOH A 175 2.429 16.156 9.893 1.00 0.00 H +HETATM 526 O HOH A 176 10.636 14.900 19.493 1.00 0.00 O +HETATM 527 H1 HOH A 176 10.869 14.418 20.287 1.00 0.00 H +HETATM 528 H2 HOH A 176 11.294 14.637 18.850 1.00 0.00 H +HETATM 529 O HOH A 177 7.796 7.930 20.629 1.00 0.00 O +HETATM 530 H1 HOH A 177 8.684 7.710 20.912 1.00 0.00 H +HETATM 531 H2 HOH A 177 7.244 7.259 21.032 1.00 0.00 H +HETATM 532 O HOH A 178 2.849 18.532 17.592 1.00 0.00 O +HETATM 533 H1 HOH A 178 3.018 18.309 16.677 1.00 0.00 H +HETATM 534 H2 HOH A 178 3.190 19.422 17.688 1.00 0.00 H +HETATM 535 O HOH A 179 6.566 19.281 5.254 1.00 0.00 O +HETATM 536 H1 HOH A 179 6.379 18.518 5.801 1.00 0.00 H +HETATM 537 H2 HOH A 179 7.505 19.225 5.077 1.00 0.00 H +HETATM 538 O HOH A 180 8.402 4.751 8.998 1.00 0.00 O +HETATM 539 H1 HOH A 180 8.735 5.427 9.588 1.00 0.00 H +HETATM 540 H2 HOH A 180 8.755 4.988 8.140 1.00 0.00 H +HETATM 541 O HOH A 181 7.147 11.976 18.246 1.00 0.00 O +HETATM 542 H1 HOH A 181 7.024 11.560 19.099 1.00 0.00 H +HETATM 543 H2 HOH A 181 7.006 11.271 17.613 1.00 0.00 H +HETATM 544 O HOH A 182 19.901 19.112 8.035 1.00 0.00 O +HETATM 545 H1 HOH A 182 20.014 20.049 8.198 1.00 0.00 H +HETATM 546 H2 HOH A 182 19.569 19.063 7.138 1.00 0.00 H +HETATM 547 O HOH A 183 19.260 10.547 9.660 1.00 0.00 O +HETATM 548 H1 HOH A 183 18.387 10.933 9.727 1.00 0.00 H +HETATM 549 H2 HOH A 183 19.140 9.775 9.108 1.00 0.00 H +HETATM 550 O HOH A 184 4.077 3.802 21.461 1.00 0.00 O +HETATM 551 H1 HOH A 184 3.722 4.543 20.971 1.00 0.00 H +HETATM 552 H2 HOH A 184 4.000 4.062 22.379 1.00 0.00 H +HETATM 553 O HOH A 185 14.167 4.992 2.470 1.00 0.00 O +HETATM 554 H1 HOH A 185 13.936 4.582 3.304 1.00 0.00 H +HETATM 555 H2 HOH A 185 13.939 5.914 2.584 1.00 0.00 H +HETATM 556 O HOH A 186 19.790 10.919 12.328 1.00 0.00 O +HETATM 557 H1 HOH A 186 19.408 10.129 12.711 1.00 0.00 H +HETATM 558 H2 HOH A 186 19.764 10.765 11.384 1.00 0.00 H +HETATM 559 O HOH A 187 2.437 16.407 12.773 1.00 0.00 O +HETATM 560 H1 HOH A 187 2.720 16.530 13.679 1.00 0.00 H +HETATM 561 H2 HOH A 187 1.821 17.122 12.614 1.00 0.00 H +HETATM 562 O HOH A 188 12.258 11.702 6.552 1.00 0.00 O +HETATM 563 H1 HOH A 188 12.517 11.693 7.473 1.00 0.00 H +HETATM 564 H2 HOH A 188 12.029 12.614 6.375 1.00 0.00 H +HETATM 565 O HOH A 189 6.863 9.958 16.457 1.00 0.00 O +HETATM 566 H1 HOH A 189 6.858 9.189 17.027 1.00 0.00 H +HETATM 567 H2 HOH A 189 6.382 9.681 15.676 1.00 0.00 H +HETATM 568 O HOH A 190 18.998 22.338 14.276 1.00 0.00 O +HETATM 569 H1 HOH A 190 18.555 23.185 14.218 1.00 0.00 H +HETATM 570 H2 HOH A 190 19.467 22.369 15.110 1.00 0.00 H +HETATM 571 O HOH A 191 10.320 10.174 10.250 1.00 0.00 O +HETATM 572 H1 HOH A 191 10.709 9.482 10.784 1.00 0.00 H +HETATM 573 H2 HOH A 191 9.495 10.382 10.689 1.00 0.00 H +HETATM 574 O HOH A 192 3.623 13.621 8.533 1.00 0.00 O +HETATM 575 H1 HOH A 192 3.116 12.813 8.607 1.00 0.00 H +HETATM 576 H2 HOH A 192 3.216 14.218 9.161 1.00 0.00 H +HETATM 577 O HOH A 193 11.857 7.995 18.977 1.00 0.00 O +HETATM 578 H1 HOH A 193 12.312 7.156 19.048 1.00 0.00 H +HETATM 579 H2 HOH A 193 11.175 7.957 19.648 1.00 0.00 H +HETATM 580 O HOH A 194 13.137 8.132 9.389 1.00 0.00 O +HETATM 581 H1 HOH A 194 13.524 7.259 9.451 1.00 0.00 H +HETATM 582 H2 HOH A 194 13.871 8.730 9.532 1.00 0.00 H +HETATM 583 O HOH A 195 5.953 17.169 6.795 1.00 0.00 O +HETATM 584 H1 HOH A 195 5.375 16.418 6.659 1.00 0.00 H +HETATM 585 H2 HOH A 195 6.057 17.222 7.745 1.00 0.00 H +HETATM 586 O HOH A 196 18.508 8.930 13.665 1.00 0.00 O +HETATM 587 H1 HOH A 196 18.647 9.085 14.599 1.00 0.00 H +HETATM 588 H2 HOH A 196 17.724 8.382 13.627 1.00 0.00 H +HETATM 589 O HOH A 197 17.414 15.839 17.709 1.00 0.00 O +HETATM 590 H1 HOH A 197 17.480 14.888 17.796 1.00 0.00 H +HETATM 591 H2 HOH A 197 17.585 16.008 16.782 1.00 0.00 H +HETATM 592 O HOH A 198 1.726 10.944 18.293 1.00 0.00 O +HETATM 593 H1 HOH A 198 1.718 11.645 18.945 1.00 0.00 H +HETATM 594 H2 HOH A 198 2.078 11.356 17.504 1.00 0.00 H +HETATM 595 O HOH A 199 4.814 6.513 17.476 1.00 0.00 O +HETATM 596 H1 HOH A 199 5.633 6.984 17.627 1.00 0.00 H +HETATM 597 H2 HOH A 199 5.050 5.807 16.873 1.00 0.00 H +HETATM 598 O HOH A 200 4.504 18.740 3.553 1.00 0.00 O +HETATM 599 H1 HOH A 200 3.889 18.309 4.147 1.00 0.00 H +HETATM 600 H2 HOH A 200 5.225 19.021 4.117 1.00 0.00 H +HETATM 601 O HOH A 201 8.757 6.997 13.796 1.00 0.00 O +HETATM 602 H1 HOH A 201 8.039 7.078 13.169 1.00 0.00 H +HETATM 603 H2 HOH A 201 9.290 7.779 13.653 1.00 0.00 H +HETATM 604 O HOH A 202 15.188 17.531 5.430 1.00 0.00 O +HETATM 605 H1 HOH A 202 14.823 18.281 4.959 1.00 0.00 H +HETATM 606 H2 HOH A 202 16.081 17.448 5.095 1.00 0.00 H +HETATM 607 O HOH A 203 11.636 17.842 8.249 1.00 0.00 O +HETATM 608 H1 HOH A 203 10.692 17.717 8.151 1.00 0.00 H +HETATM 609 H2 HOH A 203 11.825 17.554 9.142 1.00 0.00 H +HETATM 610 O HOH A 204 9.449 7.413 16.438 1.00 0.00 O +HETATM 611 H1 HOH A 204 9.974 6.640 16.645 1.00 0.00 H +HETATM 612 H2 HOH A 204 9.165 7.275 15.535 1.00 0.00 H +HETATM 613 O HOH A 205 13.125 21.377 5.681 1.00 0.00 O +HETATM 614 H1 HOH A 205 13.109 22.160 5.131 1.00 0.00 H +HETATM 615 H2 HOH A 205 13.454 20.686 5.106 1.00 0.00 H +HETATM 616 O HOH A 206 17.431 19.945 21.236 1.00 0.00 O +HETATM 617 H1 HOH A 206 17.750 19.291 20.613 1.00 0.00 H +HETATM 618 H2 HOH A 206 17.657 19.587 22.095 1.00 0.00 H +HETATM 619 O HOH A 207 9.719 2.581 9.960 1.00 0.00 O +HETATM 620 H1 HOH A 207 9.107 3.221 9.597 1.00 0.00 H +HETATM 621 H2 HOH A 207 9.163 1.943 10.408 1.00 0.00 H +HETATM 622 O HOH A 208 8.075 16.225 3.765 1.00 0.00 O +HETATM 623 H1 HOH A 208 7.944 17.020 3.248 1.00 0.00 H +HETATM 624 H2 HOH A 208 7.300 15.692 3.587 1.00 0.00 H +HETATM 625 O HOH A 209 10.877 12.719 16.163 1.00 0.00 O +HETATM 626 H1 HOH A 209 10.171 13.365 16.158 1.00 0.00 H +HETATM 627 H2 HOH A 209 10.437 11.884 16.324 1.00 0.00 H +HETATM 628 O HOH A 210 12.404 22.723 9.367 1.00 0.00 O +HETATM 629 H1 HOH A 210 11.961 22.037 8.868 1.00 0.00 H +HETATM 630 H2 HOH A 210 13.335 22.577 9.200 1.00 0.00 H +HETATM 631 O HOH A 211 7.836 14.513 19.149 1.00 0.00 O +HETATM 632 H1 HOH A 211 8.777 14.459 19.313 1.00 0.00 H +HETATM 633 H2 HOH A 211 7.590 13.631 18.868 1.00 0.00 H +HETATM 634 O HOH A 212 7.197 7.728 17.970 1.00 0.00 O +HETATM 635 H1 HOH A 212 7.426 7.800 18.896 1.00 0.00 H +HETATM 636 H2 HOH A 212 8.025 7.532 17.532 1.00 0.00 H +HETATM 637 O HOH A 213 8.890 17.830 7.886 1.00 0.00 O +HETATM 638 H1 HOH A 213 8.882 18.770 8.066 1.00 0.00 H +HETATM 639 H2 HOH A 213 8.141 17.486 8.372 1.00 0.00 H +HETATM 640 O HOH A 214 8.783 19.955 12.718 1.00 0.00 O +HETATM 641 H1 HOH A 214 8.159 19.985 11.993 1.00 0.00 H +HETATM 642 H2 HOH A 214 9.529 20.472 12.413 1.00 0.00 H +HETATM 643 O HOH A 215 20.341 18.685 12.420 1.00 0.00 O +HETATM 644 H1 HOH A 215 20.244 18.150 11.632 1.00 0.00 H +HETATM 645 H2 HOH A 215 19.942 19.524 12.191 1.00 0.00 H +HETATM 646 O HOH A 216 6.005 7.109 7.727 1.00 0.00 O +HETATM 647 H1 HOH A 216 6.001 6.295 7.224 1.00 0.00 H +HETATM 648 H2 HOH A 216 5.549 7.739 7.169 1.00 0.00 H +HETATM 649 O HOH A 217 16.372 17.751 1.532 1.00 0.00 O +HETATM 650 H1 HOH A 217 15.922 16.964 1.225 1.00 0.00 H +HETATM 651 H2 HOH A 217 15.703 18.435 1.508 1.00 0.00 H +HETATM 652 O HOH A 218 11.588 20.638 7.762 1.00 0.00 O +HETATM 653 H1 HOH A 218 11.780 19.706 7.867 1.00 0.00 H +HETATM 654 H2 HOH A 218 12.116 20.908 7.010 1.00 0.00 H +HETATM 655 O HOH A 219 15.685 19.362 18.257 1.00 0.00 O +HETATM 656 H1 HOH A 219 15.601 20.163 18.774 1.00 0.00 H +HETATM 657 H2 HOH A 219 14.909 19.355 17.697 1.00 0.00 H +HETATM 658 O HOH A 220 15.112 6.224 5.306 1.00 0.00 O +HETATM 659 H1 HOH A 220 14.738 6.842 4.678 1.00 0.00 H +HETATM 660 H2 HOH A 220 14.527 5.467 5.275 1.00 0.00 H +HETATM 661 O HOH A 221 7.720 13.119 6.876 1.00 0.00 O +HETATM 662 H1 HOH A 221 8.168 13.924 6.614 1.00 0.00 H +HETATM 663 H2 HOH A 221 8.424 12.531 7.149 1.00 0.00 H +HETATM 664 O HOH A 222 13.045 5.609 19.618 1.00 0.00 O +HETATM 665 H1 HOH A 222 12.330 5.211 20.114 1.00 0.00 H +HETATM 666 H2 HOH A 222 13.804 5.546 20.199 1.00 0.00 H +HETATM 667 O HOH A 223 19.582 7.343 19.567 1.00 0.00 O +HETATM 668 H1 HOH A 223 19.907 6.552 19.997 1.00 0.00 H +HETATM 669 H2 HOH A 223 19.198 7.030 18.748 1.00 0.00 H +HETATM 670 O HOH A 224 3.016 9.254 13.372 1.00 0.00 O +HETATM 671 H1 HOH A 224 2.894 8.384 13.752 1.00 0.00 H +HETATM 672 H2 HOH A 224 3.936 9.461 13.535 1.00 0.00 H +HETATM 673 O HOH A 225 14.850 12.566 18.327 1.00 0.00 O +HETATM 674 H1 HOH A 225 14.820 11.756 17.819 1.00 0.00 H +HETATM 675 H2 HOH A 225 15.725 12.918 18.165 1.00 0.00 H +HETATM 676 O HOH A 226 18.693 0.879 9.566 1.00 0.00 O +HETATM 677 H1 HOH A 226 18.454 -0.004 9.849 1.00 0.00 H +HETATM 678 H2 HOH A 226 18.256 0.986 8.721 1.00 0.00 H +HETATM 679 O HOH A 227 5.696 11.470 6.022 1.00 0.00 O +HETATM 680 H1 HOH A 227 6.450 12.032 6.202 1.00 0.00 H +HETATM 681 H2 HOH A 227 5.127 12.005 5.469 1.00 0.00 H +HETATM 682 O HOH A 228 4.315 13.180 4.366 1.00 0.00 O +HETATM 683 H1 HOH A 228 3.651 12.907 3.733 1.00 0.00 H +HETATM 684 H2 HOH A 228 4.989 13.607 3.838 1.00 0.00 H +HETATM 685 O HOH A 229 17.810 3.690 21.686 1.00 0.00 O +HETATM 686 H1 HOH A 229 16.918 4.039 21.665 1.00 0.00 H +HETATM 687 H2 HOH A 229 17.861 3.118 20.920 1.00 0.00 H +HETATM 688 O HOH A 230 8.937 14.624 15.803 1.00 0.00 O +HETATM 689 H1 HOH A 230 8.893 15.036 14.940 1.00 0.00 H +HETATM 690 H2 HOH A 230 8.067 14.246 15.933 1.00 0.00 H +HETATM 691 O HOH A 231 20.606 9.635 18.406 1.00 0.00 O +HETATM 692 H1 HOH A 231 20.383 8.819 18.853 1.00 0.00 H +HETATM 693 H2 HOH A 231 21.563 9.653 18.400 1.00 0.00 H +HETATM 694 O HOH A 232 0.287 7.503 5.973 1.00 0.00 O +HETATM 695 H1 HOH A 232 -0.051 6.661 5.667 1.00 0.00 H +HETATM 696 H2 HOH A 232 -0.424 8.122 5.804 1.00 0.00 H +HETATM 697 O HOH A 233 14.191 10.420 2.322 1.00 0.00 O +HETATM 698 H1 HOH A 233 14.262 10.459 1.369 1.00 0.00 H +HETATM 699 H2 HOH A 233 14.692 11.175 2.632 1.00 0.00 H +HETATM 700 O HOH A 234 5.922 16.484 19.231 1.00 0.00 O +HETATM 701 H1 HOH A 234 6.564 15.784 19.355 1.00 0.00 H +HETATM 702 H2 HOH A 234 6.141 16.861 18.379 1.00 0.00 H +HETATM 703 O HOH A 235 2.893 17.400 5.370 1.00 0.00 O +HETATM 704 H1 HOH A 235 2.048 17.039 5.100 1.00 0.00 H +HETATM 705 H2 HOH A 235 3.376 16.648 5.713 1.00 0.00 H +HETATM 706 O HOH A 236 11.800 -1.060 3.100 1.00 0.00 O +HETATM 707 H1 HOH A 236 11.125 -1.698 3.331 1.00 0.00 H +HETATM 708 H2 HOH A 236 11.868 -1.116 2.147 1.00 0.00 H +HETATM 709 O HOH A 237 7.675 17.913 14.137 1.00 0.00 O +HETATM 710 H1 HOH A 237 8.084 17.114 13.804 1.00 0.00 H +HETATM 711 H2 HOH A 237 8.151 18.623 13.707 1.00 0.00 H +HETATM 712 O HOH A 238 5.824 4.826 6.318 1.00 0.00 O +HETATM 713 H1 HOH A 238 4.967 4.705 5.908 1.00 0.00 H +HETATM 714 H2 HOH A 238 6.190 3.943 6.374 1.00 0.00 H +HETATM 715 O HOH A 239 13.135 5.297 10.203 1.00 0.00 O +HETATM 716 H1 HOH A 239 12.656 4.897 9.477 1.00 0.00 H +HETATM 717 H2 HOH A 239 12.546 5.215 10.953 1.00 0.00 H +HETATM 718 O HOH A 240 13.498 2.379 20.204 1.00 0.00 O +HETATM 719 H1 HOH A 240 12.589 2.141 20.022 1.00 0.00 H +HETATM 720 H2 HOH A 240 13.989 2.045 19.454 1.00 0.00 H +HETATM 721 O HOH A 241 7.586 12.438 13.557 1.00 0.00 O +HETATM 722 H1 HOH A 241 8.493 12.734 13.630 1.00 0.00 H +HETATM 723 H2 HOH A 241 7.189 12.672 14.396 1.00 0.00 H +HETATM 724 O HOH A 242 8.008 10.527 11.710 1.00 0.00 O +HETATM 725 H1 HOH A 242 7.180 10.137 11.429 1.00 0.00 H +HETATM 726 H2 HOH A 242 7.753 11.224 12.315 1.00 0.00 H +HETATM 727 O HOH A 243 11.634 3.866 8.379 1.00 0.00 O +HETATM 728 H1 HOH A 243 11.113 4.412 7.790 1.00 0.00 H +HETATM 729 H2 HOH A 243 10.991 3.324 8.835 1.00 0.00 H +HETATM 730 O HOH A 244 20.522 4.069 7.378 1.00 0.00 O +HETATM 731 H1 HOH A 244 20.737 3.468 8.091 1.00 0.00 H +HETATM 732 H2 HOH A 244 20.655 4.941 7.751 1.00 0.00 H +HETATM 733 O HOH A 245 10.362 7.224 21.298 1.00 0.00 O +HETATM 734 H1 HOH A 245 10.500 6.284 21.183 1.00 0.00 H +HETATM 735 H2 HOH A 245 10.678 7.406 22.183 1.00 0.00 H +HETATM 736 O HOH A 246 1.410 19.615 13.276 1.00 0.00 O +HETATM 737 H1 HOH A 246 1.453 20.244 13.996 1.00 0.00 H +HETATM 738 H2 HOH A 246 0.481 19.397 13.202 1.00 0.00 H +HETATM 739 O HOH A 247 10.635 8.163 4.875 1.00 0.00 O +HETATM 740 H1 HOH A 247 10.720 8.191 5.828 1.00 0.00 H +HETATM 741 H2 HOH A 247 10.986 9.003 4.578 1.00 0.00 H +HETATM 742 O HOH A 248 11.516 8.053 11.585 1.00 0.00 O +HETATM 743 H1 HOH A 248 11.961 8.013 12.432 1.00 0.00 H +HETATM 744 H2 HOH A 248 12.223 8.028 10.941 1.00 0.00 H +HETATM 745 O HOH A 249 2.325 11.858 14.039 1.00 0.00 O +HETATM 746 H1 HOH A 249 2.448 10.927 13.853 1.00 0.00 H +HETATM 747 H2 HOH A 249 2.161 12.253 13.183 1.00 0.00 H +HETATM 748 O HOH A 250 20.121 4.905 20.614 1.00 0.00 O +HETATM 749 H1 HOH A 250 20.444 4.167 20.098 1.00 0.00 H +HETATM 750 H2 HOH A 250 19.387 4.547 21.113 1.00 0.00 H +HETATM 751 O HOH A 251 6.081 14.411 2.791 1.00 0.00 O +HETATM 752 H1 HOH A 251 6.825 13.994 2.355 1.00 0.00 H +HETATM 753 H2 HOH A 251 5.875 15.168 2.242 1.00 0.00 H +HETATM 754 O HOH A 252 5.209 18.561 13.154 1.00 0.00 O +HETATM 755 H1 HOH A 252 6.063 18.501 13.583 1.00 0.00 H +HETATM 756 H2 HOH A 252 5.196 17.826 12.541 1.00 0.00 H +HETATM 757 O HOH A 253 17.607 17.386 4.023 1.00 0.00 O +HETATM 758 H1 HOH A 253 18.088 16.559 4.009 1.00 0.00 H +HETATM 759 H2 HOH A 253 17.266 17.480 3.134 1.00 0.00 H +HETATM 760 O HOH A 254 16.558 2.722 12.949 1.00 0.00 O +HETATM 761 H1 HOH A 254 15.727 2.391 12.609 1.00 0.00 H +HETATM 762 H2 HOH A 254 17.059 2.960 12.169 1.00 0.00 H +HETATM 763 O HOH A 255 19.557 8.527 7.694 1.00 0.00 O +HETATM 764 H1 HOH A 255 19.397 8.201 6.808 1.00 0.00 H +HETATM 765 H2 HOH A 255 20.013 7.809 8.134 1.00 0.00 H +HETATM 766 O HOH A 256 1.489 20.902 15.650 1.00 0.00 O +HETATM 767 H1 HOH A 256 2.214 21.128 16.233 1.00 0.00 H +HETATM 768 H2 HOH A 256 0.886 20.402 16.199 1.00 0.00 H +TER 769 HOH A 256 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/openmm_statistics.csv b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/openmm_statistics.csv new file mode 100644 index 00000000..8d685113 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/openmm_statistics.csv @@ -0,0 +1,21 @@ +#"Step","Potential Energy (kJ/mole)","Kinetic Energy (kJ/mole)","Total Energy (kJ/mole)","Temperature (K)","Box Volume (nm^3)","Density (g/mL)","Speed (ns/day)" +5000,-10000.395556251766,1955.3424402972403,-8045.053115954525,306.2156773561719,8.38899927092427,0.9128953258883358,0 +10000,-10109.267683158432,1916.8643083824927,-8192.403374775939,300.1898237845165,7.887985751735768,0.9708788104266292,774 +15000,-10261.842667424164,1944.4471570100684,-8317.395510414095,304.50942555954975,7.918469623169101,0.9671412012366164,767 +20000,-10290.066997902795,1969.9759615486767,-8320.091036354119,308.50735452215895,7.617944321307861,1.0052945913357156,767 +25000,-10291.918243124397,1772.936230443768,-8518.98201268063,277.65002054172555,7.816533473583283,0.9797537807762611,768 +30000,-10427.61689873792,1798.1065505619426,-8629.510348175978,281.5918091846841,7.8386694617714285,0.9769870078916123,767 +35000,-10305.469572085487,1857.94282429987,-8447.526747785618,290.9624466318739,7.915261095762465,0.9675332412480213,768 +40000,-10157.156359125285,1912.275191794526,-8244.88116733076,299.4711468839952,7.821630256007881,0.9791153471394295,768 +45000,-10129.5783686496,1740.4870544535347,-8389.091314196065,272.5683293756562,7.3768181439186495,1.0381546723665414,767 +50000,-10128.675478613084,1874.1355630236585,-8254.539915589427,293.49830447158945,7.969972013245411,0.9608914825020739,768 +55000,-9943.598567883018,2093.4785717778755,-7850.1199961051425,327.84843497292667,8.138479383100695,0.9409962061475029,768 +60000,-10102.074702719605,1967.1862978824443,-8134.88840483716,308.07048027878017,7.552552314729659,1.0139986992703867,766 +65000,-10269.831293043251,1733.1944571788586,-8536.636835864392,271.42627488528717,7.60041868489049,1.007612677776812,767 +70000,-10367.487900263055,1900.3018314338224,-8467.186068829233,297.59606322728024,7.610023280185369,1.0063409718138048,767 +75000,-10267.224879769456,1877.3551864361536,-8389.869693333301,294.00251240150027,7.842274380750218,0.9765379087099483,767 +80000,-10118.200344361168,1992.0322527384242,-8126.168091622744,311.9614718202046,7.800501311310436,0.9817674425877225,767 +85000,-10067.101880919341,1930.537899908923,-8136.5639810104185,302.33117151208944,7.932043148698512,0.9654862032065459,768 +90000,-10299.389629533667,1864.834250089817,-8434.55537944385,292.0416758107269,7.688819513955396,0.9960278309833467,768 +95000,-10382.2861164235,1875.738810015832,-8506.547306407669,293.7493803719331,7.775595083283789,0.9849121695870485,768 +100000,-10273.955652345008,1963.5400094585937,-8310.415642886415,307.49945463307506,7.587756730489713,1.0092941162088573,768 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/output.pdb new file mode 100644 index 00000000..990e926a --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/output.pdb @@ -0,0 +1,772 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 19.650 19.650 19.650 90.00 90.00 90.00 P 1 1 +HETATM 1 O HOH A 1 -8.265 18.605 -3.297 1.00 0.00 O +HETATM 2 H1 HOH A 1 -8.577 18.528 -2.395 1.00 0.00 H +HETATM 3 H2 HOH A 1 -8.023 19.526 -3.390 1.00 0.00 H +HETATM 4 O HOH A 2 21.283 36.762 8.750 1.00 0.00 O +HETATM 5 H1 HOH A 2 20.675 37.482 8.584 1.00 0.00 H +HETATM 6 H2 HOH A 2 22.118 37.192 8.938 1.00 0.00 H +HETATM 7 O HOH A 3 2.294 0.724 28.906 1.00 0.00 O +HETATM 8 H1 HOH A 3 1.784 1.487 29.179 1.00 0.00 H +HETATM 9 H2 HOH A 3 3.139 0.833 29.342 1.00 0.00 H +HETATM 10 O HOH A 4 15.425 14.187 -6.419 1.00 0.00 O +HETATM 11 H1 HOH A 4 14.719 14.283 -5.780 1.00 0.00 H +HETATM 12 H2 HOH A 4 15.946 13.453 -6.092 1.00 0.00 H +HETATM 13 O HOH A 5 5.637 25.238 9.811 1.00 0.00 O +HETATM 14 H1 HOH A 5 5.828 24.910 8.933 1.00 0.00 H +HETATM 15 H2 HOH A 5 6.485 25.245 10.254 1.00 0.00 H +HETATM 16 O HOH A 6 -1.013 5.371 1.657 1.00 0.00 O +HETATM 17 H1 HOH A 6 -1.579 5.003 2.335 1.00 0.00 H +HETATM 18 H2 HOH A 6 -0.969 6.305 1.862 1.00 0.00 H +HETATM 19 O HOH A 7 -11.823 0.812 -6.343 1.00 0.00 O +HETATM 20 H1 HOH A 7 -11.360 0.264 -5.710 1.00 0.00 H +HETATM 21 H2 HOH A 7 -12.685 0.954 -5.952 1.00 0.00 H +HETATM 22 O HOH A 8 18.513 -11.491 21.540 1.00 0.00 O +HETATM 23 H1 HOH A 8 18.868 -11.027 20.783 1.00 0.00 H +HETATM 24 H2 HOH A 8 18.917 -11.063 22.295 1.00 0.00 H +HETATM 25 O HOH A 9 35.346 27.193 27.960 1.00 0.00 O +HETATM 26 H1 HOH A 9 35.108 26.556 28.633 1.00 0.00 H +HETATM 27 H2 HOH A 9 36.290 27.080 27.845 1.00 0.00 H +HETATM 28 O HOH A 10 25.602 -4.332 15.231 1.00 0.00 O +HETATM 29 H1 HOH A 10 25.189 -3.515 15.511 1.00 0.00 H +HETATM 30 H2 HOH A 10 25.937 -4.143 14.354 1.00 0.00 H +HETATM 31 O HOH A 11 13.805 15.885 24.730 1.00 0.00 O +HETATM 32 H1 HOH A 11 12.967 15.470 24.934 1.00 0.00 H +HETATM 33 H2 HOH A 11 13.725 16.773 25.078 1.00 0.00 H +HETATM 34 O HOH A 12 18.961 31.396 -0.844 1.00 0.00 O +HETATM 35 H1 HOH A 12 19.383 30.672 -0.381 1.00 0.00 H +HETATM 36 H2 HOH A 12 18.156 31.558 -0.353 1.00 0.00 H +HETATM 37 O HOH A 13 -1.657 5.948 24.318 1.00 0.00 O +HETATM 38 H1 HOH A 13 -1.232 5.685 25.134 1.00 0.00 H +HETATM 39 H2 HOH A 13 -2.423 5.377 24.252 1.00 0.00 H +HETATM 40 O HOH A 14 28.479 -1.285 -4.622 1.00 0.00 O +HETATM 41 H1 HOH A 14 27.894 -1.802 -4.068 1.00 0.00 H +HETATM 42 H2 HOH A 14 29.283 -1.202 -4.109 1.00 0.00 H +HETATM 43 O HOH A 15 41.650 -10.173 10.867 1.00 0.00 O +HETATM 44 H1 HOH A 15 42.108 -10.771 10.277 1.00 0.00 H +HETATM 45 H2 HOH A 15 40.766 -10.109 10.506 1.00 0.00 H +HETATM 46 O HOH A 16 27.147 0.747 -21.078 1.00 0.00 O +HETATM 47 H1 HOH A 16 26.791 1.396 -20.472 1.00 0.00 H +HETATM 48 H2 HOH A 16 27.924 0.406 -20.635 1.00 0.00 H +HETATM 49 O HOH A 17 6.320 21.577 8.739 1.00 0.00 O +HETATM 50 H1 HOH A 17 6.556 20.651 8.808 1.00 0.00 H +HETATM 51 H2 HOH A 17 5.583 21.682 9.339 1.00 0.00 H +HETATM 52 O HOH A 18 1.692 13.891 0.157 1.00 0.00 O +HETATM 53 H1 HOH A 18 2.236 13.305 -0.370 1.00 0.00 H +HETATM 54 H2 HOH A 18 1.173 14.377 -0.484 1.00 0.00 H +HETATM 55 O HOH A 19 -9.535 6.512 28.265 1.00 0.00 O +HETATM 56 H1 HOH A 19 -8.813 6.916 27.785 1.00 0.00 H +HETATM 57 H2 HOH A 19 -9.144 5.748 28.689 1.00 0.00 H +HETATM 58 O HOH A 20 29.838 11.315 7.338 1.00 0.00 O +HETATM 59 H1 HOH A 20 30.055 10.964 6.474 1.00 0.00 H +HETATM 60 H2 HOH A 20 30.027 12.251 7.271 1.00 0.00 H +HETATM 61 O HOH A 21 18.786 13.932 15.630 1.00 0.00 O +HETATM 62 H1 HOH A 21 19.370 13.317 16.073 1.00 0.00 H +HETATM 63 H2 HOH A 21 17.994 13.425 15.452 1.00 0.00 H +HETATM 64 O HOH A 22 21.466 20.290 14.066 1.00 0.00 O +HETATM 65 H1 HOH A 22 20.806 20.441 13.390 1.00 0.00 H +HETATM 66 H2 HOH A 22 21.111 19.575 14.593 1.00 0.00 H +HETATM 67 O HOH A 23 13.030 -2.468 21.890 1.00 0.00 O +HETATM 68 H1 HOH A 23 12.381 -2.795 21.267 1.00 0.00 H +HETATM 69 H2 HOH A 23 13.044 -3.122 22.588 1.00 0.00 H +HETATM 70 O HOH A 24 0.369 15.624 17.915 1.00 0.00 O +HETATM 71 H1 HOH A 24 0.207 16.374 18.487 1.00 0.00 H +HETATM 72 H2 HOH A 24 0.595 16.012 17.069 1.00 0.00 H +HETATM 73 O HOH A 25 12.365 33.946 12.681 1.00 0.00 O +HETATM 74 H1 HOH A 25 13.189 34.006 12.197 1.00 0.00 H +HETATM 75 H2 HOH A 25 11.904 34.759 12.472 1.00 0.00 H +HETATM 76 O HOH A 26 44.483 48.308 9.376 1.00 0.00 O +HETATM 77 H1 HOH A 26 45.133 48.846 8.922 1.00 0.00 H +HETATM 78 H2 HOH A 26 44.857 47.427 9.374 1.00 0.00 H +HETATM 79 O HOH A 27 24.885 12.352 31.966 1.00 0.00 O +HETATM 80 H1 HOH A 27 24.664 13.212 32.324 1.00 0.00 H +HETATM 81 H2 HOH A 27 24.515 12.357 31.083 1.00 0.00 H +HETATM 82 O HOH A 28 25.773 -5.206 42.587 1.00 0.00 O +HETATM 83 H1 HOH A 28 25.614 -4.333 42.946 1.00 0.00 H +HETATM 84 H2 HOH A 28 26.347 -5.056 41.836 1.00 0.00 H +HETATM 85 O HOH A 29 -2.380 9.332 37.570 1.00 0.00 O +HETATM 86 H1 HOH A 29 -1.604 9.537 38.092 1.00 0.00 H +HETATM 87 H2 HOH A 29 -3.073 9.875 37.946 1.00 0.00 H +HETATM 88 O HOH A 30 30.523 4.410 9.677 1.00 0.00 O +HETATM 89 H1 HOH A 30 29.703 4.143 9.261 1.00 0.00 H +HETATM 90 H2 HOH A 30 30.892 3.597 10.023 1.00 0.00 H +HETATM 91 O HOH A 31 16.900 30.714 25.777 1.00 0.00 O +HETATM 92 H1 HOH A 31 16.737 30.393 26.664 1.00 0.00 H +HETATM 93 H2 HOH A 31 17.853 30.766 25.712 1.00 0.00 H +HETATM 94 O HOH A 32 34.962 18.309 10.334 1.00 0.00 O +HETATM 95 H1 HOH A 32 35.059 17.485 9.858 1.00 0.00 H +HETATM 96 H2 HOH A 32 34.513 18.890 9.720 1.00 0.00 H +HETATM 97 O HOH A 33 -9.420 -0.525 25.212 1.00 0.00 O +HETATM 98 H1 HOH A 33 -8.931 -0.435 24.394 1.00 0.00 H +HETATM 99 H2 HOH A 33 -9.875 -1.363 25.130 1.00 0.00 H +HETATM 100 O HOH A 34 6.899 -0.021 10.765 1.00 0.00 O +HETATM 101 H1 HOH A 34 7.380 0.256 11.545 1.00 0.00 H +HETATM 102 H2 HOH A 34 6.659 -0.930 10.941 1.00 0.00 H +HETATM 103 O HOH A 35 16.614 11.828 -6.132 1.00 0.00 O +HETATM 104 H1 HOH A 35 17.508 11.488 -6.084 1.00 0.00 H +HETATM 105 H2 HOH A 35 16.092 11.201 -5.632 1.00 0.00 H +HETATM 106 O HOH A 36 29.111 10.244 -3.933 1.00 0.00 O +HETATM 107 H1 HOH A 36 28.195 10.515 -4.004 1.00 0.00 H +HETATM 108 H2 HOH A 36 29.525 10.591 -4.724 1.00 0.00 H +HETATM 109 O HOH A 37 29.327 2.220 -27.640 1.00 0.00 O +HETATM 110 H1 HOH A 37 29.105 1.966 -28.535 1.00 0.00 H +HETATM 111 H2 HOH A 37 28.686 1.764 -27.095 1.00 0.00 H +HETATM 112 O HOH A 38 11.352 15.539 19.587 1.00 0.00 O +HETATM 113 H1 HOH A 38 11.391 15.783 18.663 1.00 0.00 H +HETATM 114 H2 HOH A 38 11.501 14.594 19.593 1.00 0.00 H +HETATM 115 O HOH A 39 32.823 23.680 12.669 1.00 0.00 O +HETATM 116 H1 HOH A 39 33.090 24.424 13.209 1.00 0.00 H +HETATM 117 H2 HOH A 39 33.180 22.915 13.121 1.00 0.00 H +HETATM 118 O HOH A 40 5.474 15.593 37.895 1.00 0.00 O +HETATM 119 H1 HOH A 40 5.902 14.927 38.432 1.00 0.00 H +HETATM 120 H2 HOH A 40 5.089 15.104 37.168 1.00 0.00 H +HETATM 121 O HOH A 41 7.138 17.507 36.478 1.00 0.00 O +HETATM 122 H1 HOH A 41 6.987 18.281 37.021 1.00 0.00 H +HETATM 123 H2 HOH A 41 6.712 16.794 36.953 1.00 0.00 H +HETATM 124 O HOH A 42 20.044 48.771 19.398 1.00 0.00 O +HETATM 125 H1 HOH A 42 20.857 48.477 19.810 1.00 0.00 H +HETATM 126 H2 HOH A 42 20.181 48.621 18.463 1.00 0.00 H +HETATM 127 O HOH A 43 4.147 18.684 14.035 1.00 0.00 O +HETATM 128 H1 HOH A 43 4.569 18.372 13.234 1.00 0.00 H +HETATM 129 H2 HOH A 43 3.312 19.046 13.740 1.00 0.00 H +HETATM 130 O HOH A 44 21.771 19.806 6.801 1.00 0.00 O +HETATM 131 H1 HOH A 44 21.997 20.167 7.658 1.00 0.00 H +HETATM 132 H2 HOH A 44 22.502 20.056 6.236 1.00 0.00 H +HETATM 133 O HOH A 45 22.400 -5.216 30.021 1.00 0.00 O +HETATM 134 H1 HOH A 45 22.787 -6.091 30.053 1.00 0.00 H +HETATM 135 H2 HOH A 45 22.215 -5.070 29.093 1.00 0.00 H +HETATM 136 O HOH A 46 -1.504 -0.712 21.830 1.00 0.00 O +HETATM 137 H1 HOH A 46 -2.073 -1.087 22.502 1.00 0.00 H +HETATM 138 H2 HOH A 46 -2.076 -0.133 21.327 1.00 0.00 H +HETATM 139 O HOH A 47 -6.610 -12.565 18.695 1.00 0.00 O +HETATM 140 H1 HOH A 47 -7.042 -13.091 18.022 1.00 0.00 H +HETATM 141 H2 HOH A 47 -6.937 -11.677 18.552 1.00 0.00 H +HETATM 142 O HOH A 48 36.619 20.763 10.995 1.00 0.00 O +HETATM 143 H1 HOH A 48 36.489 21.636 10.626 1.00 0.00 H +HETATM 144 H2 HOH A 48 37.305 20.373 10.453 1.00 0.00 H +HETATM 145 O HOH A 49 29.741 17.954 8.262 1.00 0.00 O +HETATM 146 H1 HOH A 49 29.739 18.798 7.810 1.00 0.00 H +HETATM 147 H2 HOH A 49 30.647 17.652 8.205 1.00 0.00 H +HETATM 148 O HOH A 50 20.535 15.986 -7.223 1.00 0.00 O +HETATM 149 H1 HOH A 50 21.292 16.028 -7.808 1.00 0.00 H +HETATM 150 H2 HOH A 50 20.133 15.139 -7.411 1.00 0.00 H +HETATM 151 O HOH A 51 -5.402 -9.053 21.400 1.00 0.00 O +HETATM 152 H1 HOH A 51 -5.326 -8.571 22.223 1.00 0.00 H +HETATM 153 H2 HOH A 51 -6.015 -9.763 21.594 1.00 0.00 H +HETATM 154 O HOH A 52 33.204 10.569 -11.249 1.00 0.00 O +HETATM 155 H1 HOH A 52 32.622 10.195 -10.587 1.00 0.00 H +HETATM 156 H2 HOH A 52 32.616 11.005 -11.866 1.00 0.00 H +HETATM 157 O HOH A 53 5.614 32.728 16.616 1.00 0.00 O +HETATM 158 H1 HOH A 53 5.751 33.466 16.022 1.00 0.00 H +HETATM 159 H2 HOH A 53 4.688 32.777 16.850 1.00 0.00 H +HETATM 160 O HOH A 54 -8.048 9.468 1.425 1.00 0.00 O +HETATM 161 H1 HOH A 54 -8.654 9.945 1.992 1.00 0.00 H +HETATM 162 H2 HOH A 54 -8.547 9.302 0.626 1.00 0.00 H +HETATM 163 O HOH A 55 13.771 18.344 12.664 1.00 0.00 O +HETATM 164 H1 HOH A 55 14.012 18.138 11.761 1.00 0.00 H +HETATM 165 H2 HOH A 55 14.379 17.831 13.198 1.00 0.00 H +HETATM 166 O HOH A 56 13.288 33.783 41.835 1.00 0.00 O +HETATM 167 H1 HOH A 56 14.195 33.511 41.696 1.00 0.00 H +HETATM 168 H2 HOH A 56 13.007 34.126 40.987 1.00 0.00 H +HETATM 169 O HOH A 57 -4.240 20.058 -3.279 1.00 0.00 O +HETATM 170 H1 HOH A 57 -3.291 19.954 -3.204 1.00 0.00 H +HETATM 171 H2 HOH A 57 -4.601 19.287 -2.842 1.00 0.00 H +HETATM 172 O HOH A 58 1.369 13.437 25.324 1.00 0.00 O +HETATM 173 H1 HOH A 58 1.990 13.446 24.596 1.00 0.00 H +HETATM 174 H2 HOH A 58 0.526 13.648 24.923 1.00 0.00 H +HETATM 175 O HOH A 59 24.538 -8.068 20.971 1.00 0.00 O +HETATM 176 H1 HOH A 59 25.029 -8.151 21.789 1.00 0.00 H +HETATM 177 H2 HOH A 59 25.176 -8.267 20.286 1.00 0.00 H +HETATM 178 O HOH A 60 6.162 0.722 35.338 1.00 0.00 O +HETATM 179 H1 HOH A 60 6.603 0.743 36.188 1.00 0.00 H +HETATM 180 H2 HOH A 60 5.932 -0.198 35.210 1.00 0.00 H +HETATM 181 O HOH A 61 3.263 17.494 0.475 1.00 0.00 O +HETATM 182 H1 HOH A 61 3.655 16.863 -0.129 1.00 0.00 H +HETATM 183 H2 HOH A 61 3.160 17.010 1.294 1.00 0.00 H +HETATM 184 O HOH A 62 18.900 8.622 11.340 1.00 0.00 O +HETATM 185 H1 HOH A 62 18.874 8.233 12.214 1.00 0.00 H +HETATM 186 H2 HOH A 62 18.600 9.522 11.469 1.00 0.00 H +HETATM 187 O HOH A 63 18.020 -4.410 7.340 1.00 0.00 O +HETATM 188 H1 HOH A 63 18.571 -3.683 7.053 1.00 0.00 H +HETATM 189 H2 HOH A 63 18.594 -4.946 7.887 1.00 0.00 H +HETATM 190 O HOH A 64 20.333 0.847 21.969 1.00 0.00 O +HETATM 191 H1 HOH A 64 19.539 0.407 21.665 1.00 0.00 H +HETATM 192 H2 HOH A 64 20.014 1.600 22.467 1.00 0.00 H +HETATM 193 O HOH A 65 14.200 2.838 -2.525 1.00 0.00 O +HETATM 194 H1 HOH A 65 13.310 2.547 -2.723 1.00 0.00 H +HETATM 195 H2 HOH A 65 14.763 2.172 -2.918 1.00 0.00 H +HETATM 196 O HOH A 66 27.302 7.457 28.011 1.00 0.00 O +HETATM 197 H1 HOH A 66 27.443 8.387 27.835 1.00 0.00 H +HETATM 198 H2 HOH A 66 28.180 7.076 28.005 1.00 0.00 H +HETATM 199 O HOH A 67 -17.042 9.876 17.273 1.00 0.00 O +HETATM 200 H1 HOH A 67 -16.122 10.093 17.424 1.00 0.00 H +HETATM 201 H2 HOH A 67 -17.062 8.919 17.251 1.00 0.00 H +HETATM 202 O HOH A 68 12.065 8.657 11.340 1.00 0.00 O +HETATM 203 H1 HOH A 68 11.518 9.225 10.796 1.00 0.00 H +HETATM 204 H2 HOH A 68 11.452 8.030 11.724 1.00 0.00 H +HETATM 205 O HOH A 69 9.057 -4.127 21.621 1.00 0.00 O +HETATM 206 H1 HOH A 69 9.031 -4.264 20.674 1.00 0.00 H +HETATM 207 H2 HOH A 69 8.873 -3.195 21.734 1.00 0.00 H +HETATM 208 O HOH A 70 17.346 31.068 21.292 1.00 0.00 O +HETATM 209 H1 HOH A 70 16.592 30.560 21.590 1.00 0.00 H +HETATM 210 H2 HOH A 70 18.045 30.845 21.907 1.00 0.00 H +HETATM 211 O HOH A 71 27.648 5.952 21.836 1.00 0.00 O +HETATM 212 H1 HOH A 71 27.383 6.728 22.330 1.00 0.00 H +HETATM 213 H2 HOH A 71 28.550 6.132 21.572 1.00 0.00 H +HETATM 214 O HOH A 72 15.836 -11.492 21.867 1.00 0.00 O +HETATM 215 H1 HOH A 72 15.822 -11.668 20.926 1.00 0.00 H +HETATM 216 H2 HOH A 72 16.766 -11.431 22.086 1.00 0.00 H +HETATM 217 O HOH A 73 18.837 -11.024 24.626 1.00 0.00 O +HETATM 218 H1 HOH A 73 18.464 -11.905 24.658 1.00 0.00 H +HETATM 219 H2 HOH A 73 19.186 -10.879 25.506 1.00 0.00 H +HETATM 220 O HOH A 74 23.320 25.421 -18.021 1.00 0.00 O +HETATM 221 H1 HOH A 74 23.834 25.849 -18.706 1.00 0.00 H +HETATM 222 H2 HOH A 74 22.504 25.172 -18.455 1.00 0.00 H +HETATM 223 O HOH A 75 28.670 22.274 8.881 1.00 0.00 O +HETATM 224 H1 HOH A 75 29.061 22.260 8.007 1.00 0.00 H +HETATM 225 H2 HOH A 75 27.739 22.112 8.730 1.00 0.00 H +HETATM 226 O HOH A 76 -3.963 12.979 -1.755 1.00 0.00 O +HETATM 227 H1 HOH A 76 -4.174 12.104 -1.429 1.00 0.00 H +HETATM 228 H2 HOH A 76 -3.224 13.264 -1.218 1.00 0.00 H +HETATM 229 O HOH A 77 12.019 10.866 -2.072 1.00 0.00 O +HETATM 230 H1 HOH A 77 11.727 10.901 -2.983 1.00 0.00 H +HETATM 231 H2 HOH A 77 11.429 10.237 -1.655 1.00 0.00 H +HETATM 232 O HOH A 78 19.968 6.257 16.359 1.00 0.00 O +HETATM 233 H1 HOH A 78 20.741 5.695 16.402 1.00 0.00 H +HETATM 234 H2 HOH A 78 19.508 6.097 17.183 1.00 0.00 H +HETATM 235 O HOH A 79 18.730 33.301 4.287 1.00 0.00 O +HETATM 236 H1 HOH A 79 18.551 32.376 4.116 1.00 0.00 H +HETATM 237 H2 HOH A 79 17.944 33.757 3.986 1.00 0.00 H +HETATM 238 O HOH A 80 13.179 42.021 26.922 1.00 0.00 O +HETATM 239 H1 HOH A 80 13.444 42.754 27.478 1.00 0.00 H +HETATM 240 H2 HOH A 80 13.266 41.251 27.483 1.00 0.00 H +HETATM 241 O HOH A 81 18.500 1.181 -2.142 1.00 0.00 O +HETATM 242 H1 HOH A 81 19.175 0.562 -1.865 1.00 0.00 H +HETATM 243 H2 HOH A 81 18.232 1.621 -1.335 1.00 0.00 H +HETATM 244 O HOH A 82 22.318 -14.995 15.898 1.00 0.00 O +HETATM 245 H1 HOH A 82 22.128 -14.847 14.972 1.00 0.00 H +HETATM 246 H2 HOH A 82 22.758 -15.845 15.920 1.00 0.00 H +HETATM 247 O HOH A 83 35.384 16.743 1.918 1.00 0.00 O +HETATM 248 H1 HOH A 83 35.800 16.302 2.659 1.00 0.00 H +HETATM 249 H2 HOH A 83 34.485 16.901 2.207 1.00 0.00 H +HETATM 250 O HOH A 84 -7.305 26.665 22.226 1.00 0.00 O +HETATM 251 H1 HOH A 84 -6.844 26.936 23.020 1.00 0.00 H +HETATM 252 H2 HOH A 84 -7.618 27.482 21.839 1.00 0.00 H +HETATM 253 O HOH A 85 3.467 -3.010 35.423 1.00 0.00 O +HETATM 254 H1 HOH A 85 3.790 -2.149 35.158 1.00 0.00 H +HETATM 255 H2 HOH A 85 2.543 -3.006 35.175 1.00 0.00 H +HETATM 256 O HOH A 86 15.472 -6.118 6.458 1.00 0.00 O +HETATM 257 H1 HOH A 86 15.740 -7.032 6.359 1.00 0.00 H +HETATM 258 H2 HOH A 86 16.244 -5.612 6.205 1.00 0.00 H +HETATM 259 O HOH A 87 5.511 8.323 1.196 1.00 0.00 O +HETATM 260 H1 HOH A 87 5.323 8.454 2.126 1.00 0.00 H +HETATM 261 H2 HOH A 87 6.344 8.773 1.054 1.00 0.00 H +HETATM 262 O HOH A 88 -0.757 10.908 23.348 1.00 0.00 O +HETATM 263 H1 HOH A 88 0.200 10.892 23.371 1.00 0.00 H +HETATM 264 H2 HOH A 88 -1.019 10.054 23.691 1.00 0.00 H +HETATM 265 O HOH A 89 25.808 27.168 3.866 1.00 0.00 O +HETATM 266 H1 HOH A 89 24.985 26.696 3.993 1.00 0.00 H +HETATM 267 H2 HOH A 89 26.187 27.229 4.742 1.00 0.00 H +HETATM 268 O HOH A 90 22.605 -0.532 22.435 1.00 0.00 O +HETATM 269 H1 HOH A 90 22.789 -0.759 21.523 1.00 0.00 H +HETATM 270 H2 HOH A 90 21.785 -0.039 22.398 1.00 0.00 H +HETATM 271 O HOH A 91 34.774 0.732 22.163 1.00 0.00 O +HETATM 272 H1 HOH A 91 35.100 0.311 22.958 1.00 0.00 H +HETATM 273 H2 HOH A 91 34.090 1.327 22.470 1.00 0.00 H +HETATM 274 O HOH A 92 3.486 26.751 4.175 1.00 0.00 O +HETATM 275 H1 HOH A 92 3.159 26.612 3.286 1.00 0.00 H +HETATM 276 H2 HOH A 92 2.915 26.216 4.727 1.00 0.00 H +HETATM 277 O HOH A 93 23.762 -19.345 5.046 1.00 0.00 O +HETATM 278 H1 HOH A 93 23.555 -19.560 4.136 1.00 0.00 H +HETATM 279 H2 HOH A 93 24.718 -19.323 5.076 1.00 0.00 H +HETATM 280 O HOH A 94 14.014 8.160 4.305 1.00 0.00 O +HETATM 281 H1 HOH A 94 14.506 7.660 4.957 1.00 0.00 H +HETATM 282 H2 HOH A 94 14.561 8.136 3.521 1.00 0.00 H +HETATM 283 O HOH A 95 -1.280 27.041 7.961 1.00 0.00 O +HETATM 284 H1 HOH A 95 -0.990 26.139 8.091 1.00 0.00 H +HETATM 285 H2 HOH A 95 -0.535 27.575 8.237 1.00 0.00 H +HETATM 286 O HOH A 96 -0.337 -0.174 9.826 1.00 0.00 O +HETATM 287 H1 HOH A 96 -0.172 -0.445 10.729 1.00 0.00 H +HETATM 288 H2 HOH A 96 0.473 0.258 9.553 1.00 0.00 H +HETATM 289 O HOH A 97 -13.392 17.058 23.852 1.00 0.00 O +HETATM 290 H1 HOH A 97 -13.119 17.739 23.237 1.00 0.00 H +HETATM 291 H2 HOH A 97 -13.548 17.525 24.673 1.00 0.00 H +HETATM 292 O HOH A 98 29.840 48.118 38.309 1.00 0.00 O +HETATM 293 H1 HOH A 98 29.687 47.218 38.598 1.00 0.00 H +HETATM 294 H2 HOH A 98 29.045 48.356 37.833 1.00 0.00 H +HETATM 295 O HOH A 99 9.079 -2.959 24.707 1.00 0.00 O +HETATM 296 H1 HOH A 99 8.984 -3.744 25.246 1.00 0.00 H +HETATM 297 H2 HOH A 99 8.291 -2.944 24.164 1.00 0.00 H +HETATM 298 O HOH A 100 10.948 -12.012 15.899 1.00 0.00 O +HETATM 299 H1 HOH A 100 10.264 -11.437 16.239 1.00 0.00 H +HETATM 300 H2 HOH A 100 10.785 -12.855 16.321 1.00 0.00 H +HETATM 301 O HOH A 101 30.346 -15.113 13.074 1.00 0.00 O +HETATM 302 H1 HOH A 101 30.085 -15.818 12.481 1.00 0.00 H +HETATM 303 H2 HOH A 101 31.293 -15.220 13.171 1.00 0.00 H +HETATM 304 O HOH A 102 11.954 -6.777 39.279 1.00 0.00 O +HETATM 305 H1 HOH A 102 12.669 -7.069 39.845 1.00 0.00 H +HETATM 306 H2 HOH A 102 12.009 -7.345 38.511 1.00 0.00 H +HETATM 307 O HOH A 103 17.569 -3.171 16.056 1.00 0.00 O +HETATM 308 H1 HOH A 103 16.727 -3.395 16.452 1.00 0.00 H +HETATM 309 H2 HOH A 103 17.940 -4.012 15.789 1.00 0.00 H +HETATM 310 O HOH A 104 8.768 -5.949 16.271 1.00 0.00 O +HETATM 311 H1 HOH A 104 8.372 -6.671 15.783 1.00 0.00 H +HETATM 312 H2 HOH A 104 8.058 -5.317 16.382 1.00 0.00 H +HETATM 313 O HOH A 105 18.291 -14.754 11.073 1.00 0.00 O +HETATM 314 H1 HOH A 105 18.527 -15.406 11.733 1.00 0.00 H +HETATM 315 H2 HOH A 105 19.069 -14.203 10.991 1.00 0.00 H +HETATM 316 O HOH A 106 -0.692 7.857 14.091 1.00 0.00 O +HETATM 317 H1 HOH A 106 -1.439 8.138 14.620 1.00 0.00 H +HETATM 318 H2 HOH A 106 -0.100 7.438 14.715 1.00 0.00 H +HETATM 319 O HOH A 107 21.126 24.411 0.479 1.00 0.00 O +HETATM 320 H1 HOH A 107 20.406 24.275 1.095 1.00 0.00 H +HETATM 321 H2 HOH A 107 20.722 24.842 -0.273 1.00 0.00 H +HETATM 322 O HOH A 108 38.868 -2.533 20.243 1.00 0.00 O +HETATM 323 H1 HOH A 108 39.091 -3.268 20.814 1.00 0.00 H +HETATM 324 H2 HOH A 108 38.465 -1.890 20.826 1.00 0.00 H +HETATM 325 O HOH A 109 19.667 33.134 11.722 1.00 0.00 O +HETATM 326 H1 HOH A 109 20.540 32.753 11.817 1.00 0.00 H +HETATM 327 H2 HOH A 109 19.093 32.383 11.571 1.00 0.00 H +HETATM 328 O HOH A 110 2.297 -7.665 12.503 1.00 0.00 O +HETATM 329 H1 HOH A 110 2.262 -8.426 11.924 1.00 0.00 H +HETATM 330 H2 HOH A 110 2.938 -7.903 13.173 1.00 0.00 H +HETATM 331 O HOH A 111 32.163 24.940 16.794 1.00 0.00 O +HETATM 332 H1 HOH A 111 32.607 25.250 16.005 1.00 0.00 H +HETATM 333 H2 HOH A 111 32.798 24.360 17.215 1.00 0.00 H +HETATM 334 O HOH A 112 -2.351 12.044 -8.730 1.00 0.00 O +HETATM 335 H1 HOH A 112 -2.906 11.509 -9.298 1.00 0.00 H +HETATM 336 H2 HOH A 112 -2.840 12.111 -7.910 1.00 0.00 H +HETATM 337 O HOH A 113 26.862 7.993 -4.541 1.00 0.00 O +HETATM 338 H1 HOH A 113 25.995 7.864 -4.926 1.00 0.00 H +HETATM 339 H2 HOH A 113 27.090 7.140 -4.172 1.00 0.00 H +HETATM 340 O HOH A 114 2.839 9.359 20.892 1.00 0.00 O +HETATM 341 H1 HOH A 114 2.811 10.310 20.786 1.00 0.00 H +HETATM 342 H2 HOH A 114 3.719 9.112 20.608 1.00 0.00 H +HETATM 343 O HOH A 115 15.998 -15.981 9.457 1.00 0.00 O +HETATM 344 H1 HOH A 115 16.478 -15.183 9.678 1.00 0.00 H +HETATM 345 H2 HOH A 115 15.076 -15.725 9.498 1.00 0.00 H +HETATM 346 O HOH A 116 12.689 16.850 27.909 1.00 0.00 O +HETATM 347 H1 HOH A 116 13.064 16.000 28.138 1.00 0.00 H +HETATM 348 H2 HOH A 116 13.207 17.147 27.160 1.00 0.00 H +HETATM 349 O HOH A 117 24.652 42.074 38.244 1.00 0.00 O +HETATM 350 H1 HOH A 117 23.954 42.287 38.864 1.00 0.00 H +HETATM 351 H2 HOH A 117 24.195 41.727 37.478 1.00 0.00 H +HETATM 352 O HOH A 118 -25.289 13.580 -4.019 1.00 0.00 O +HETATM 353 H1 HOH A 118 -26.189 13.797 -3.777 1.00 0.00 H +HETATM 354 H2 HOH A 118 -24.765 13.858 -3.268 1.00 0.00 H +HETATM 355 O HOH A 119 -2.679 5.311 34.204 1.00 0.00 O +HETATM 356 H1 HOH A 119 -1.829 5.752 34.215 1.00 0.00 H +HETATM 357 H2 HOH A 119 -2.501 4.440 34.559 1.00 0.00 H +HETATM 358 O HOH A 120 13.611 14.169 8.075 1.00 0.00 O +HETATM 359 H1 HOH A 120 13.871 13.834 8.933 1.00 0.00 H +HETATM 360 H2 HOH A 120 14.290 13.854 7.478 1.00 0.00 H +HETATM 361 O HOH A 121 27.168 -1.624 7.398 1.00 0.00 O +HETATM 362 H1 HOH A 121 27.879 -1.493 8.025 1.00 0.00 H +HETATM 363 H2 HOH A 121 26.923 -2.544 7.501 1.00 0.00 H +HETATM 364 O HOH A 122 38.235 5.261 -1.132 1.00 0.00 O +HETATM 365 H1 HOH A 122 37.424 4.804 -1.355 1.00 0.00 H +HETATM 366 H2 HOH A 122 38.224 5.319 -0.177 1.00 0.00 H +HETATM 367 O HOH A 123 12.000 -3.704 17.146 1.00 0.00 O +HETATM 368 H1 HOH A 123 11.668 -4.370 16.545 1.00 0.00 H +HETATM 369 H2 HOH A 123 11.791 -2.872 16.722 1.00 0.00 H +HETATM 370 O HOH A 124 10.307 -13.595 0.008 1.00 0.00 O +HETATM 371 H1 HOH A 124 11.202 -13.399 0.285 1.00 0.00 H +HETATM 372 H2 HOH A 124 10.262 -14.552 0.005 1.00 0.00 H +HETATM 373 O HOH A 125 20.453 9.199 27.890 1.00 0.00 O +HETATM 374 H1 HOH A 125 20.019 9.983 27.554 1.00 0.00 H +HETATM 375 H2 HOH A 125 21.225 9.095 27.334 1.00 0.00 H +HETATM 376 O HOH A 126 16.911 -18.423 0.379 1.00 0.00 O +HETATM 377 H1 HOH A 126 16.140 -18.747 0.845 1.00 0.00 H +HETATM 378 H2 HOH A 126 16.646 -17.567 0.042 1.00 0.00 H +HETATM 379 O HOH A 127 3.748 14.381 33.020 1.00 0.00 O +HETATM 380 H1 HOH A 127 3.504 14.784 33.854 1.00 0.00 H +HETATM 381 H2 HOH A 127 2.913 14.151 32.612 1.00 0.00 H +HETATM 382 O HOH A 128 33.331 -28.239 14.624 1.00 0.00 O +HETATM 383 H1 HOH A 128 33.377 -28.163 13.671 1.00 0.00 H +HETATM 384 H2 HOH A 128 33.286 -27.334 14.934 1.00 0.00 H +HETATM 385 O HOH A 129 20.514 5.102 7.756 1.00 0.00 O +HETATM 386 H1 HOH A 129 21.177 5.458 8.348 1.00 0.00 H +HETATM 387 H2 HOH A 129 20.915 5.153 6.889 1.00 0.00 H +HETATM 388 O HOH A 130 -33.289 4.201 26.643 1.00 0.00 O +HETATM 389 H1 HOH A 130 -33.122 3.519 27.294 1.00 0.00 H +HETATM 390 H2 HOH A 130 -32.542 4.152 26.047 1.00 0.00 H +HETATM 391 O HOH A 131 -5.549 1.701 13.457 1.00 0.00 O +HETATM 392 H1 HOH A 131 -5.069 1.482 14.256 1.00 0.00 H +HETATM 393 H2 HOH A 131 -5.768 0.854 13.068 1.00 0.00 H +HETATM 394 O HOH A 132 -0.171 11.347 26.531 1.00 0.00 O +HETATM 395 H1 HOH A 132 0.580 11.807 26.156 1.00 0.00 H +HETATM 396 H2 HOH A 132 -0.513 11.947 27.194 1.00 0.00 H +HETATM 397 O HOH A 133 12.603 3.039 21.909 1.00 0.00 O +HETATM 398 H1 HOH A 133 13.404 3.469 22.208 1.00 0.00 H +HETATM 399 H2 HOH A 133 11.895 3.580 22.260 1.00 0.00 H +HETATM 400 O HOH A 134 17.239 -18.496 27.414 1.00 0.00 O +HETATM 401 H1 HOH A 134 17.563 -19.283 27.851 1.00 0.00 H +HETATM 402 H2 HOH A 134 18.001 -17.919 27.364 1.00 0.00 H +HETATM 403 O HOH A 135 23.801 8.075 14.981 1.00 0.00 O +HETATM 404 H1 HOH A 135 23.385 7.621 14.247 1.00 0.00 H +HETATM 405 H2 HOH A 135 24.147 8.881 14.599 1.00 0.00 H +HETATM 406 O HOH A 136 14.234 -1.165 6.517 1.00 0.00 O +HETATM 407 H1 HOH A 136 14.097 -0.821 7.399 1.00 0.00 H +HETATM 408 H2 HOH A 136 14.653 -0.448 6.042 1.00 0.00 H +HETATM 409 O HOH A 137 22.535 26.683 17.554 1.00 0.00 O +HETATM 410 H1 HOH A 137 22.504 25.956 16.932 1.00 0.00 H +HETATM 411 H2 HOH A 137 23.226 26.442 18.171 1.00 0.00 H +HETATM 412 O HOH A 138 6.214 3.260 31.479 1.00 0.00 O +HETATM 413 H1 HOH A 138 6.778 2.782 32.087 1.00 0.00 H +HETATM 414 H2 HOH A 138 6.821 3.723 30.902 1.00 0.00 H +HETATM 415 O HOH A 139 17.685 -5.276 19.225 1.00 0.00 O +HETATM 416 H1 HOH A 139 18.430 -5.304 18.624 1.00 0.00 H +HETATM 417 H2 HOH A 139 17.187 -4.505 18.954 1.00 0.00 H +HETATM 418 O HOH A 140 -26.561 -12.136 27.990 1.00 0.00 O +HETATM 419 H1 HOH A 140 -25.838 -11.670 27.571 1.00 0.00 H +HETATM 420 H2 HOH A 140 -26.302 -12.204 28.909 1.00 0.00 H +HETATM 421 O HOH A 141 5.889 4.285 2.908 1.00 0.00 O +HETATM 422 H1 HOH A 141 6.707 4.725 2.676 1.00 0.00 H +HETATM 423 H2 HOH A 141 5.219 4.739 2.397 1.00 0.00 H +HETATM 424 O HOH A 142 28.608 -17.877 43.126 1.00 0.00 O +HETATM 425 H1 HOH A 142 29.455 -17.992 43.557 1.00 0.00 H +HETATM 426 H2 HOH A 142 28.789 -18.020 42.197 1.00 0.00 H +HETATM 427 O HOH A 143 24.137 29.536 4.057 1.00 0.00 O +HETATM 428 H1 HOH A 143 24.892 29.765 4.600 1.00 0.00 H +HETATM 429 H2 HOH A 143 24.173 28.582 3.987 1.00 0.00 H +HETATM 430 O HOH A 144 -9.125 -17.698 6.456 1.00 0.00 O +HETATM 431 H1 HOH A 144 -9.374 -18.594 6.230 1.00 0.00 H +HETATM 432 H2 HOH A 144 -8.175 -17.734 6.568 1.00 0.00 H +HETATM 433 O HOH A 145 0.373 -1.284 35.176 1.00 0.00 O +HETATM 434 H1 HOH A 145 0.660 -0.883 35.996 1.00 0.00 H +HETATM 435 H2 HOH A 145 -0.504 -1.617 35.364 1.00 0.00 H +HETATM 436 O HOH A 146 7.036 -8.171 -24.222 1.00 0.00 O +HETATM 437 H1 HOH A 146 6.560 -8.864 -24.680 1.00 0.00 H +HETATM 438 H2 HOH A 146 6.377 -7.755 -23.665 1.00 0.00 H +HETATM 439 O HOH A 147 16.225 16.701 19.052 1.00 0.00 O +HETATM 440 H1 HOH A 147 16.732 17.493 18.874 1.00 0.00 H +HETATM 441 H2 HOH A 147 16.171 16.659 20.007 1.00 0.00 H +HETATM 442 O HOH A 148 20.368 11.929 36.121 1.00 0.00 O +HETATM 443 H1 HOH A 148 21.046 11.259 36.213 1.00 0.00 H +HETATM 444 H2 HOH A 148 19.782 11.781 36.863 1.00 0.00 H +HETATM 445 O HOH A 149 11.946 32.885 4.808 1.00 0.00 O +HETATM 446 H1 HOH A 149 11.091 33.037 4.405 1.00 0.00 H +HETATM 447 H2 HOH A 149 12.575 33.063 4.109 1.00 0.00 H +HETATM 448 O HOH A 150 15.919 33.233 21.139 1.00 0.00 O +HETATM 449 H1 HOH A 150 16.297 32.419 21.470 1.00 0.00 H +HETATM 450 H2 HOH A 150 16.359 33.379 20.302 1.00 0.00 H +HETATM 451 O HOH A 151 24.187 26.438 12.268 1.00 0.00 O +HETATM 452 H1 HOH A 151 24.608 26.009 11.523 1.00 0.00 H +HETATM 453 H2 HOH A 151 24.458 27.354 12.202 1.00 0.00 H +HETATM 454 O HOH A 152 20.986 2.934 10.446 1.00 0.00 O +HETATM 455 H1 HOH A 152 21.418 3.766 10.252 1.00 0.00 H +HETATM 456 H2 HOH A 152 20.358 3.145 11.137 1.00 0.00 H +HETATM 457 O HOH A 153 34.340 30.226 18.678 1.00 0.00 O +HETATM 458 H1 HOH A 153 34.129 30.242 19.611 1.00 0.00 H +HETATM 459 H2 HOH A 153 33.493 30.290 18.238 1.00 0.00 H +HETATM 460 O HOH A 154 6.417 33.260 39.230 1.00 0.00 O +HETATM 461 H1 HOH A 154 7.243 32.795 39.094 1.00 0.00 H +HETATM 462 H2 HOH A 154 5.858 32.629 39.683 1.00 0.00 H +HETATM 463 O HOH A 155 10.191 -0.490 -0.528 1.00 0.00 O +HETATM 464 H1 HOH A 155 11.119 -0.461 -0.295 1.00 0.00 H +HETATM 465 H2 HOH A 155 9.732 -0.320 0.295 1.00 0.00 H +HETATM 466 O HOH A 156 -8.016 4.511 24.825 1.00 0.00 O +HETATM 467 H1 HOH A 156 -7.669 3.619 24.834 1.00 0.00 H +HETATM 468 H2 HOH A 156 -7.304 5.049 25.170 1.00 0.00 H +HETATM 469 O HOH A 157 10.141 7.390 13.093 1.00 0.00 O +HETATM 470 H1 HOH A 157 10.237 6.440 13.155 1.00 0.00 H +HETATM 471 H2 HOH A 157 10.246 7.701 13.992 1.00 0.00 H +HETATM 472 O HOH A 158 20.749 -4.263 15.103 1.00 0.00 O +HETATM 473 H1 HOH A 158 20.622 -3.915 14.220 1.00 0.00 H +HETATM 474 H2 HOH A 158 20.028 -4.881 15.223 1.00 0.00 H +HETATM 475 O HOH A 159 16.589 8.549 35.026 1.00 0.00 O +HETATM 476 H1 HOH A 159 15.642 8.561 34.889 1.00 0.00 H +HETATM 477 H2 HOH A 159 16.707 8.887 35.914 1.00 0.00 H +HETATM 478 O HOH A 160 -11.577 5.328 -8.323 1.00 0.00 O +HETATM 479 H1 HOH A 160 -11.464 5.941 -7.598 1.00 0.00 H +HETATM 480 H2 HOH A 160 -10.721 5.300 -8.750 1.00 0.00 H +HETATM 481 O HOH A 161 23.420 11.817 29.612 1.00 0.00 O +HETATM 482 H1 HOH A 161 23.176 10.985 30.016 1.00 0.00 H +HETATM 483 H2 HOH A 161 23.766 11.574 28.753 1.00 0.00 H +HETATM 484 O HOH A 162 27.835 31.382 11.940 1.00 0.00 O +HETATM 485 H1 HOH A 162 26.927 31.509 12.215 1.00 0.00 H +HETATM 486 H2 HOH A 162 27.899 31.841 11.102 1.00 0.00 H +HETATM 487 O HOH A 163 20.616 -13.193 30.445 1.00 0.00 O +HETATM 488 H1 HOH A 163 21.250 -12.779 29.859 1.00 0.00 H +HETATM 489 H2 HOH A 163 20.079 -12.469 30.767 1.00 0.00 H +HETATM 490 O HOH A 164 -11.655 -3.385 13.046 1.00 0.00 O +HETATM 491 H1 HOH A 164 -11.149 -2.608 13.282 1.00 0.00 H +HETATM 492 H2 HOH A 164 -11.115 -3.835 12.397 1.00 0.00 H +HETATM 493 O HOH A 165 14.604 44.597 22.168 1.00 0.00 O +HETATM 494 H1 HOH A 165 13.813 45.120 22.298 1.00 0.00 H +HETATM 495 H2 HOH A 165 15.131 45.108 21.554 1.00 0.00 H +HETATM 496 O HOH A 166 15.058 11.933 23.696 1.00 0.00 O +HETATM 497 H1 HOH A 166 15.684 11.398 24.184 1.00 0.00 H +HETATM 498 H2 HOH A 166 15.005 12.751 24.190 1.00 0.00 H +HETATM 499 O HOH A 167 3.706 13.893 24.149 1.00 0.00 O +HETATM 500 H1 HOH A 167 3.551 14.762 23.779 1.00 0.00 H +HETATM 501 H2 HOH A 167 4.549 13.624 23.785 1.00 0.00 H +HETATM 502 O HOH A 168 0.115 3.482 32.638 1.00 0.00 O +HETATM 503 H1 HOH A 168 0.966 3.688 33.024 1.00 0.00 H +HETATM 504 H2 HOH A 168 -0.483 3.437 33.384 1.00 0.00 H +HETATM 505 O HOH A 169 24.155 21.190 10.704 1.00 0.00 O +HETATM 506 H1 HOH A 169 24.246 22.001 11.203 1.00 0.00 H +HETATM 507 H2 HOH A 169 24.967 20.712 10.871 1.00 0.00 H +HETATM 508 O HOH A 170 7.204 24.028 19.598 1.00 0.00 O +HETATM 509 H1 HOH A 170 6.474 24.323 19.054 1.00 0.00 H +HETATM 510 H2 HOH A 170 7.159 24.579 20.380 1.00 0.00 H +HETATM 511 O HOH A 171 2.076 5.313 13.255 1.00 0.00 O +HETATM 512 H1 HOH A 171 2.889 5.685 12.913 1.00 0.00 H +HETATM 513 H2 HOH A 171 1.400 5.612 12.646 1.00 0.00 H +HETATM 514 O HOH A 172 41.198 49.924 23.454 1.00 0.00 O +HETATM 515 H1 HOH A 172 42.149 50.022 23.396 1.00 0.00 H +HETATM 516 H2 HOH A 172 41.035 49.013 23.212 1.00 0.00 H +HETATM 517 O HOH A 173 19.469 19.037 12.465 1.00 0.00 O +HETATM 518 H1 HOH A 173 18.809 19.489 12.992 1.00 0.00 H +HETATM 519 H2 HOH A 173 19.661 18.238 12.955 1.00 0.00 H +HETATM 520 O HOH A 174 2.928 15.746 41.894 1.00 0.00 O +HETATM 521 H1 HOH A 174 1.971 15.717 41.869 1.00 0.00 H +HETATM 522 H2 HOH A 174 3.205 15.021 41.334 1.00 0.00 H +HETATM 523 O HOH A 175 19.661 2.342 7.118 1.00 0.00 O +HETATM 524 H1 HOH A 175 20.217 1.565 7.056 1.00 0.00 H +HETATM 525 H2 HOH A 175 20.259 3.044 7.374 1.00 0.00 H +HETATM 526 O HOH A 176 28.762 33.121 43.147 1.00 0.00 O +HETATM 527 H1 HOH A 176 28.066 33.315 43.774 1.00 0.00 H +HETATM 528 H2 HOH A 176 28.860 33.927 42.640 1.00 0.00 H +HETATM 529 O HOH A 177 33.747 5.849 14.630 1.00 0.00 O +HETATM 530 H1 HOH A 177 34.700 5.761 14.606 1.00 0.00 H +HETATM 531 H2 HOH A 177 33.592 6.793 14.597 1.00 0.00 H +HETATM 532 O HOH A 178 6.905 19.629 24.933 1.00 0.00 O +HETATM 533 H1 HOH A 178 7.688 20.128 24.699 1.00 0.00 H +HETATM 534 H2 HOH A 178 7.125 19.213 25.767 1.00 0.00 H +HETATM 535 O HOH A 179 22.902 28.190 6.772 1.00 0.00 O +HETATM 536 H1 HOH A 179 23.733 28.549 7.081 1.00 0.00 H +HETATM 537 H2 HOH A 179 23.102 27.828 5.909 1.00 0.00 H +HETATM 538 O HOH A 180 -3.535 23.210 -0.597 1.00 0.00 O +HETATM 539 H1 HOH A 180 -4.190 23.146 -1.291 1.00 0.00 H +HETATM 540 H2 HOH A 180 -3.865 23.896 -0.017 1.00 0.00 H +HETATM 541 O HOH A 181 13.405 8.386 34.670 1.00 0.00 O +HETATM 542 H1 HOH A 181 13.538 9.334 34.690 1.00 0.00 H +HETATM 543 H2 HOH A 181 12.466 8.273 34.821 1.00 0.00 H +HETATM 544 O HOH A 182 10.500 49.611 9.621 1.00 0.00 O +HETATM 545 H1 HOH A 182 10.593 49.999 8.752 1.00 0.00 H +HETATM 546 H2 HOH A 182 9.617 49.242 9.626 1.00 0.00 H +HETATM 547 O HOH A 183 7.440 -0.988 21.790 1.00 0.00 O +HETATM 548 H1 HOH A 183 6.581 -1.066 21.375 1.00 0.00 H +HETATM 549 H2 HOH A 183 7.486 -0.076 22.077 1.00 0.00 H +HETATM 550 O HOH A 184 27.410 13.505 25.840 1.00 0.00 O +HETATM 551 H1 HOH A 184 27.271 14.210 26.472 1.00 0.00 H +HETATM 552 H2 HOH A 184 26.548 13.361 25.448 1.00 0.00 H +HETATM 553 O HOH A 185 31.112 17.068 -6.283 1.00 0.00 O +HETATM 554 H1 HOH A 185 31.873 17.601 -6.511 1.00 0.00 H +HETATM 555 H2 HOH A 185 30.697 17.538 -5.560 1.00 0.00 H +HETATM 556 O HOH A 186 33.924 26.630 10.724 1.00 0.00 O +HETATM 557 H1 HOH A 186 33.292 27.229 11.121 1.00 0.00 H +HETATM 558 H2 HOH A 186 34.643 26.586 11.354 1.00 0.00 H +HETATM 559 O HOH A 187 5.571 26.344 18.666 1.00 0.00 O +HETATM 560 H1 HOH A 187 5.578 27.086 18.061 1.00 0.00 H +HETATM 561 H2 HOH A 187 5.751 26.732 19.522 1.00 0.00 H +HETATM 562 O HOH A 188 -3.960 16.224 8.616 1.00 0.00 O +HETATM 563 H1 HOH A 188 -4.572 15.496 8.504 1.00 0.00 H +HETATM 564 H2 HOH A 188 -3.192 15.972 8.104 1.00 0.00 H +HETATM 565 O HOH A 189 -3.734 9.266 11.345 1.00 0.00 O +HETATM 566 H1 HOH A 189 -3.313 8.653 11.948 1.00 0.00 H +HETATM 567 H2 HOH A 189 -3.421 9.003 10.479 1.00 0.00 H +HETATM 568 O HOH A 190 -9.562 21.322 40.413 1.00 0.00 O +HETATM 569 H1 HOH A 190 -8.709 21.583 40.065 1.00 0.00 H +HETATM 570 H2 HOH A 190 -10.193 21.839 39.913 1.00 0.00 H +HETATM 571 O HOH A 191 12.709 19.550 19.902 1.00 0.00 O +HETATM 572 H1 HOH A 191 13.200 20.345 20.110 1.00 0.00 H +HETATM 573 H2 HOH A 191 13.382 18.889 19.737 1.00 0.00 H +HETATM 574 O HOH A 192 16.045 14.726 3.886 1.00 0.00 O +HETATM 575 H1 HOH A 192 15.149 14.817 4.209 1.00 0.00 H +HETATM 576 H2 HOH A 192 15.948 14.362 3.006 1.00 0.00 H +HETATM 577 O HOH A 193 14.113 17.698 17.803 1.00 0.00 O +HETATM 578 H1 HOH A 193 14.780 17.234 18.309 1.00 0.00 H +HETATM 579 H2 HOH A 193 13.397 17.069 17.715 1.00 0.00 H +HETATM 580 O HOH A 194 15.786 -12.683 19.243 1.00 0.00 O +HETATM 581 H1 HOH A 194 14.932 -12.826 18.835 1.00 0.00 H +HETATM 582 H2 HOH A 194 16.272 -12.161 18.604 1.00 0.00 H +HETATM 583 O HOH A 195 8.147 28.452 11.654 1.00 0.00 O +HETATM 584 H1 HOH A 195 8.896 27.888 11.846 1.00 0.00 H +HETATM 585 H2 HOH A 195 8.500 29.341 11.692 1.00 0.00 H +HETATM 586 O HOH A 196 33.869 13.438 10.653 1.00 0.00 O +HETATM 587 H1 HOH A 196 34.530 13.786 11.251 1.00 0.00 H +HETATM 588 H2 HOH A 196 33.712 12.546 10.963 1.00 0.00 H +HETATM 589 O HOH A 197 31.321 21.773 36.017 1.00 0.00 O +HETATM 590 H1 HOH A 197 30.418 21.456 36.051 1.00 0.00 H +HETATM 591 H2 HOH A 197 31.239 22.713 35.858 1.00 0.00 H +HETATM 592 O HOH A 198 -8.906 -27.069 13.422 1.00 0.00 O +HETATM 593 H1 HOH A 198 -9.580 -27.035 12.744 1.00 0.00 H +HETATM 594 H2 HOH A 198 -8.116 -26.742 12.992 1.00 0.00 H +HETATM 595 O HOH A 199 20.543 18.926 18.381 1.00 0.00 O +HETATM 596 H1 HOH A 199 21.358 18.930 18.882 1.00 0.00 H +HETATM 597 H2 HOH A 199 19.925 18.445 18.931 1.00 0.00 H +HETATM 598 O HOH A 200 16.499 26.301 31.806 1.00 0.00 O +HETATM 599 H1 HOH A 200 16.497 25.971 32.705 1.00 0.00 H +HETATM 600 H2 HOH A 200 17.250 25.872 31.396 1.00 0.00 H +HETATM 601 O HOH A 201 8.909 12.934 18.934 1.00 0.00 O +HETATM 602 H1 HOH A 201 9.774 13.116 19.302 1.00 0.00 H +HETATM 603 H2 HOH A 201 8.928 13.338 18.066 1.00 0.00 H +HETATM 604 O HOH A 202 33.937 20.399 8.787 1.00 0.00 O +HETATM 605 H1 HOH A 202 33.459 20.705 9.558 1.00 0.00 H +HETATM 606 H2 HOH A 202 34.817 20.759 8.892 1.00 0.00 H +HETATM 607 O HOH A 203 10.858 33.500 26.889 1.00 0.00 O +HETATM 608 H1 HOH A 203 11.208 33.270 26.028 1.00 0.00 H +HETATM 609 H2 HOH A 203 11.548 34.024 27.296 1.00 0.00 H +HETATM 610 O HOH A 204 17.864 2.714 14.814 1.00 0.00 O +HETATM 611 H1 HOH A 204 18.019 2.460 15.724 1.00 0.00 H +HETATM 612 H2 HOH A 204 17.533 1.919 14.396 1.00 0.00 H +HETATM 613 O HOH A 205 19.062 11.047 -5.987 1.00 0.00 O +HETATM 614 H1 HOH A 205 19.779 11.658 -5.819 1.00 0.00 H +HETATM 615 H2 HOH A 205 19.412 10.191 -5.738 1.00 0.00 H +HETATM 616 O HOH A 206 11.981 19.970 23.068 1.00 0.00 O +HETATM 617 H1 HOH A 206 12.090 20.687 22.442 1.00 0.00 H +HETATM 618 H2 HOH A 206 12.496 19.251 22.702 1.00 0.00 H +HETATM 619 O HOH A 207 3.185 22.199 0.931 1.00 0.00 O +HETATM 620 H1 HOH A 207 2.821 21.744 1.690 1.00 0.00 H +HETATM 621 H2 HOH A 207 2.597 22.941 0.792 1.00 0.00 H +HETATM 622 O HOH A 208 2.582 14.649 27.250 1.00 0.00 O +HETATM 623 H1 HOH A 208 1.973 15.385 27.193 1.00 0.00 H +HETATM 624 H2 HOH A 208 2.216 13.989 26.661 1.00 0.00 H +HETATM 625 O HOH A 209 -3.401 10.304 8.774 1.00 0.00 O +HETATM 626 H1 HOH A 209 -4.314 10.589 8.728 1.00 0.00 H +HETATM 627 H2 HOH A 209 -3.437 9.360 8.623 1.00 0.00 H +HETATM 628 O HOH A 210 -15.966 21.603 35.406 1.00 0.00 O +HETATM 629 H1 HOH A 210 -16.698 21.119 35.023 1.00 0.00 H +HETATM 630 H2 HOH A 210 -15.230 20.992 35.370 1.00 0.00 H +HETATM 631 O HOH A 211 8.420 25.634 36.927 1.00 0.00 O +HETATM 632 H1 HOH A 211 7.677 25.047 36.782 1.00 0.00 H +HETATM 633 H2 HOH A 211 8.914 25.225 37.638 1.00 0.00 H +HETATM 634 O HOH A 212 8.396 3.543 5.853 1.00 0.00 O +HETATM 635 H1 HOH A 212 9.352 3.569 5.890 1.00 0.00 H +HETATM 636 H2 HOH A 212 8.199 3.135 5.010 1.00 0.00 H +HETATM 637 O HOH A 213 17.530 37.275 4.698 1.00 0.00 O +HETATM 638 H1 HOH A 213 18.286 36.981 5.206 1.00 0.00 H +HETATM 639 H2 HOH A 213 16.846 36.635 4.893 1.00 0.00 H +HETATM 640 O HOH A 214 -14.574 15.657 9.648 1.00 0.00 O +HETATM 641 H1 HOH A 214 -14.658 15.726 8.697 1.00 0.00 H +HETATM 642 H2 HOH A 214 -15.473 15.548 9.961 1.00 0.00 H +HETATM 643 O HOH A 215 11.914 30.234 5.243 1.00 0.00 O +HETATM 644 H1 HOH A 215 12.749 29.781 5.352 1.00 0.00 H +HETATM 645 H2 HOH A 215 12.141 31.053 4.803 1.00 0.00 H +HETATM 646 O HOH A 216 -0.522 -6.277 8.863 1.00 0.00 O +HETATM 647 H1 HOH A 216 -1.105 -6.609 9.546 1.00 0.00 H +HETATM 648 H2 HOH A 216 0.232 -5.929 9.339 1.00 0.00 H +HETATM 649 O HOH A 217 7.768 10.066 20.566 1.00 0.00 O +HETATM 650 H1 HOH A 217 8.242 10.462 19.835 1.00 0.00 H +HETATM 651 H2 HOH A 217 8.378 10.114 21.302 1.00 0.00 H +HETATM 652 O HOH A 218 5.858 17.222 11.702 1.00 0.00 O +HETATM 653 H1 HOH A 218 5.760 16.430 11.174 1.00 0.00 H +HETATM 654 H2 HOH A 218 6.483 16.979 12.385 1.00 0.00 H +HETATM 655 O HOH A 219 7.393 10.732 27.941 1.00 0.00 O +HETATM 656 H1 HOH A 219 7.236 11.416 28.592 1.00 0.00 H +HETATM 657 H2 HOH A 219 8.235 10.963 27.549 1.00 0.00 H +HETATM 658 O HOH A 220 9.479 9.259 5.313 1.00 0.00 O +HETATM 659 H1 HOH A 220 10.382 9.561 5.410 1.00 0.00 H +HETATM 660 H2 HOH A 220 9.534 8.307 5.396 1.00 0.00 H +HETATM 661 O HOH A 221 4.994 15.499 6.857 1.00 0.00 O +HETATM 662 H1 HOH A 221 4.406 14.827 7.200 1.00 0.00 H +HETATM 663 H2 HOH A 221 4.415 16.127 6.424 1.00 0.00 H +HETATM 664 O HOH A 222 3.745 11.437 7.380 1.00 0.00 O +HETATM 665 H1 HOH A 222 3.509 10.871 6.646 1.00 0.00 H +HETATM 666 H2 HOH A 222 3.631 12.326 7.044 1.00 0.00 H +HETATM 667 O HOH A 223 29.330 11.042 2.860 1.00 0.00 O +HETATM 668 H1 HOH A 223 29.163 11.984 2.823 1.00 0.00 H +HETATM 669 H2 HOH A 223 29.117 10.796 3.760 1.00 0.00 H +HETATM 670 O HOH A 224 5.653 -10.335 12.774 1.00 0.00 O +HETATM 671 H1 HOH A 224 6.467 -10.655 12.384 1.00 0.00 H +HETATM 672 H2 HOH A 224 5.491 -9.498 12.338 1.00 0.00 H +HETATM 673 O HOH A 225 23.543 -16.347 24.227 1.00 0.00 O +HETATM 674 H1 HOH A 225 23.519 -17.290 24.068 1.00 0.00 H +HETATM 675 H2 HOH A 225 24.343 -16.051 23.792 1.00 0.00 H +HETATM 676 O HOH A 226 17.055 0.160 13.539 1.00 0.00 O +HETATM 677 H1 HOH A 226 17.046 0.501 12.645 1.00 0.00 H +HETATM 678 H2 HOH A 226 16.514 -0.628 13.500 1.00 0.00 H +HETATM 679 O HOH A 227 0.374 -4.555 -17.293 1.00 0.00 O +HETATM 680 H1 HOH A 227 0.809 -5.034 -17.999 1.00 0.00 H +HETATM 681 H2 HOH A 227 -0.206 -5.199 -16.887 1.00 0.00 H +HETATM 682 O HOH A 228 -10.128 23.181 -0.829 1.00 0.00 O +HETATM 683 H1 HOH A 228 -10.170 22.794 -1.703 1.00 0.00 H +HETATM 684 H2 HOH A 228 -11.040 23.373 -0.608 1.00 0.00 H +HETATM 685 O HOH A 229 26.389 10.134 5.799 1.00 0.00 O +HETATM 686 H1 HOH A 229 26.174 10.606 6.603 1.00 0.00 H +HETATM 687 H2 HOH A 229 27.313 9.905 5.895 1.00 0.00 H +HETATM 688 O HOH A 230 25.058 30.288 37.864 1.00 0.00 O +HETATM 689 H1 HOH A 230 25.604 29.596 37.492 1.00 0.00 H +HETATM 690 H2 HOH A 230 25.339 31.084 37.414 1.00 0.00 H +HETATM 691 O HOH A 231 34.715 -13.724 25.658 1.00 0.00 O +HETATM 692 H1 HOH A 231 35.415 -14.371 25.570 1.00 0.00 H +HETATM 693 H2 HOH A 231 35.039 -13.110 26.318 1.00 0.00 H +HETATM 694 O HOH A 232 -3.635 0.427 24.957 1.00 0.00 O +HETATM 695 H1 HOH A 232 -3.025 -0.268 24.710 1.00 0.00 H +HETATM 696 H2 HOH A 232 -3.279 0.782 25.771 1.00 0.00 H +HETATM 697 O HOH A 233 14.226 22.094 4.807 1.00 0.00 O +HETATM 698 H1 HOH A 233 14.881 21.408 4.937 1.00 0.00 H +HETATM 699 H2 HOH A 233 13.911 22.296 5.688 1.00 0.00 H +HETATM 700 O HOH A 234 29.735 -3.283 30.841 1.00 0.00 O +HETATM 701 H1 HOH A 234 30.496 -2.880 31.259 1.00 0.00 H +HETATM 702 H2 HOH A 234 29.699 -2.882 29.972 1.00 0.00 H +HETATM 703 O HOH A 235 33.254 24.330 9.374 1.00 0.00 O +HETATM 704 H1 HOH A 235 33.508 25.103 9.877 1.00 0.00 H +HETATM 705 H2 HOH A 235 32.308 24.421 9.255 1.00 0.00 H +HETATM 706 O HOH A 236 15.972 16.900 13.526 1.00 0.00 O +HETATM 707 H1 HOH A 236 15.887 15.974 13.296 1.00 0.00 H +HETATM 708 H2 HOH A 236 16.762 16.943 14.064 1.00 0.00 H +HETATM 709 O HOH A 237 -10.943 15.396 27.760 1.00 0.00 O +HETATM 710 H1 HOH A 237 -10.329 14.740 27.430 1.00 0.00 H +HETATM 711 H2 HOH A 237 -10.386 16.105 28.082 1.00 0.00 H +HETATM 712 O HOH A 238 11.357 14.129 35.091 1.00 0.00 O +HETATM 713 H1 HOH A 238 10.411 14.054 35.222 1.00 0.00 H +HETATM 714 H2 HOH A 238 11.496 13.856 34.185 1.00 0.00 H +HETATM 715 O HOH A 239 29.335 6.273 25.278 1.00 0.00 O +HETATM 716 H1 HOH A 239 30.055 5.783 24.880 1.00 0.00 H +HETATM 717 H2 HOH A 239 28.597 5.663 25.272 1.00 0.00 H +HETATM 718 O HOH A 240 26.976 -6.435 9.407 1.00 0.00 O +HETATM 719 H1 HOH A 240 26.358 -5.709 9.329 1.00 0.00 H +HETATM 720 H2 HOH A 240 27.786 -6.104 9.020 1.00 0.00 H +HETATM 721 O HOH A 241 19.330 2.798 4.500 1.00 0.00 O +HETATM 722 H1 HOH A 241 18.517 3.147 4.136 1.00 0.00 H +HETATM 723 H2 HOH A 241 19.260 2.959 5.441 1.00 0.00 H +HETATM 724 O HOH A 242 22.452 7.022 28.817 1.00 0.00 O +HETATM 725 H1 HOH A 242 23.175 6.410 28.684 1.00 0.00 H +HETATM 726 H2 HOH A 242 22.558 7.674 28.125 1.00 0.00 H +HETATM 727 O HOH A 243 23.035 -2.587 25.104 1.00 0.00 O +HETATM 728 H1 HOH A 243 23.031 -1.635 25.195 1.00 0.00 H +HETATM 729 H2 HOH A 243 23.104 -2.738 24.162 1.00 0.00 H +HETATM 730 O HOH A 244 3.317 23.077 7.325 1.00 0.00 O +HETATM 731 H1 HOH A 244 3.199 22.976 6.380 1.00 0.00 H +HETATM 732 H2 HOH A 244 4.231 23.343 7.425 1.00 0.00 H +HETATM 733 O HOH A 245 41.011 4.867 24.694 1.00 0.00 O +HETATM 734 H1 HOH A 245 41.849 4.470 24.457 1.00 0.00 H +HETATM 735 H2 HOH A 245 40.356 4.220 24.434 1.00 0.00 H +HETATM 736 O HOH A 246 2.755 13.907 36.908 1.00 0.00 O +HETATM 737 H1 HOH A 246 2.764 14.752 36.459 1.00 0.00 H +HETATM 738 H2 HOH A 246 1.962 13.475 36.590 1.00 0.00 H +HETATM 739 O HOH A 247 -5.782 11.154 11.832 1.00 0.00 O +HETATM 740 H1 HOH A 247 -6.502 10.539 11.972 1.00 0.00 H +HETATM 741 H2 HOH A 247 -5.036 10.602 11.598 1.00 0.00 H +HETATM 742 O HOH A 248 7.540 8.658 -1.999 1.00 0.00 O +HETATM 743 H1 HOH A 248 7.820 7.748 -1.900 1.00 0.00 H +HETATM 744 H2 HOH A 248 7.532 8.805 -2.945 1.00 0.00 H +HETATM 745 O HOH A 249 -3.007 -15.996 3.784 1.00 0.00 O +HETATM 746 H1 HOH A 249 -3.372 -16.881 3.763 1.00 0.00 H +HETATM 747 H2 HOH A 249 -3.756 -15.423 3.619 1.00 0.00 H +HETATM 748 O HOH A 250 12.841 2.094 10.675 1.00 0.00 O +HETATM 749 H1 HOH A 250 12.561 1.534 11.399 1.00 0.00 H +HETATM 750 H2 HOH A 250 12.814 2.981 11.034 1.00 0.00 H +HETATM 751 O HOH A 251 5.695 -12.694 6.634 1.00 0.00 O +HETATM 752 H1 HOH A 251 5.591 -13.645 6.634 1.00 0.00 H +HETATM 753 H2 HOH A 251 6.515 -12.542 7.104 1.00 0.00 H +HETATM 754 O HOH A 252 9.154 21.754 35.896 1.00 0.00 O +HETATM 755 H1 HOH A 252 8.794 21.040 36.421 1.00 0.00 H +HETATM 756 H2 HOH A 252 8.394 22.291 35.668 1.00 0.00 H +HETATM 757 O HOH A 253 46.011 21.431 1.793 1.00 0.00 O +HETATM 758 H1 HOH A 253 46.293 22.132 2.381 1.00 0.00 H +HETATM 759 H2 HOH A 253 45.220 21.771 1.376 1.00 0.00 H +HETATM 760 O HOH A 254 26.379 23.495 16.444 1.00 0.00 O +HETATM 761 H1 HOH A 254 25.699 22.988 16.889 1.00 0.00 H +HETATM 762 H2 HOH A 254 26.153 23.435 15.516 1.00 0.00 H +HETATM 763 O HOH A 255 17.717 4.536 26.680 1.00 0.00 O +HETATM 764 H1 HOH A 255 18.664 4.410 26.744 1.00 0.00 H +HETATM 765 H2 HOH A 255 17.372 4.188 27.502 1.00 0.00 H +HETATM 766 O HOH A 256 0.326 17.285 5.927 1.00 0.00 O +HETATM 767 H1 HOH A 256 1.055 16.711 5.690 1.00 0.00 H +HETATM 768 H2 HOH A 256 0.729 18.144 6.054 1.00 0.00 H +TER 769 HOH A 256 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_component_1/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/1|equilibration_simulation_mixture_output.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/1|equilibration_simulation_mixture_output.json new file mode 100644 index 00000000..ef0f9484 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/1|equilibration_simulation_mixture_output.json @@ -0,0 +1 @@ +{".output_coordinate_file": "1_equilibration_simulation_mixture/output.pdb", ".trajectory_file_path": "1_equilibration_simulation_mixture/trajectory.dcd", ".observables": {"observables": {"PotentialEnergy": {"value": {"value": {"value": [[-5751.993853123255], [-5798.751780848419], [-6222.341497188463], [-6235.014348084987], [-6084.481030246345], [-5972.597428765199], [-5956.829073469693], [-5967.547764686955], [-6185.811271866056], [-5996.383916805462], [-5939.625530150246], [-6198.613486980241], [-6075.72500344117], [-6027.820677889242], [-6127.412939235379], [-6050.967642753974], [-6184.966415875657], [-5785.288280394336], [-6162.03984997917], [-6107.804599424446]], "@type": "numpy.ndarray"}, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "KineticEnergy": {"value": {"value": {"value": [[5225.387363247386], [5096.700258580545], [5339.965993829911], [5215.700373500963], [5001.905962173376], [5272.182427447709], [5370.191008119535], [5240.904223036145], [5265.073105567242], 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"openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "Temperature": {"value": {"value": {"value": [[288.8187703071065], [281.7059480911548], [295.15178581157835], [288.2833488594608], [276.46645669707925], [291.40523748346146], [296.822389510941], [289.67642162588487], [291.01228946631045], [286.7282661115232], [290.2546542430621], [285.87855039350626], [280.6395387785498], [283.6759801345603], [285.97315366488243], [283.6460147359725], [278.4600433219845], [282.2266064624524], [283.09652690355], [296.83094555958604]], "@type": "numpy.ndarray"}, "unit": "kelvin", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "Volume": {"value": {"value": {"value": [[20.99286899625397], [20.157041438176563], [19.82257037063926], [19.61583734117961], [19.64210057245717], [19.97564837557052], [20.248942295268165], [20.33807838000808], [19.552700738175368], [19.456538461736088], [19.591582821383025], [19.904157397033867], [19.76443222114813], [20.373738697221505], [20.123155230428143], [20.25137905915019], [19.99307479393673], [20.212822260367695], [19.716912787175065], [19.724880265878205]], "@type": "numpy.ndarray"}, "unit": "nanometer ** 3", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "Density": {"value": {"value": {"value": [[0.7908564021202825], [0.8236498841102605], [0.837547529615577], [0.8463745164580087], [0.8452428386320465], [0.831129209546154], [0.8199117071136861], [0.8163182644078909], [0.849107500128862], [0.853304141289603], [0.847422334168906], [0.8341144271213379], [0.8400112211063254], [0.8148894560439225], [0.8250368619855151], [0.8198130505615321], [0.8304047784383224], [0.8213768780381006], [0.8420357194742424], [0.8416955956523603]], "@type": "numpy.ndarray"}, "unit": "gram / milliliter", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "Enthalpy": {"value": {"value": {"value": [[-525.325518838755], [-700.8215528777536], [-881.16594317264], [-1018.1170291113848], [-1081.3765200352575], [-699.1961004125565], [-585.4024882302776], [-725.402525505757], [-919.545073380098], [-807.6312961144206], [-687.0643006235485], [-1025.206839628593], [-997.1124981412003], [-894.2348742621248], [-952.281340789417], [-917.9314475329661], [-1145.771980652617], [-677.9347565412462], [-1038.977750124971], [-736.255193756996]], "@type": "numpy.ndarray"}, "unit": "kilojoule / mole", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}, "ReducedPotential": {"value": {"value": {"value": [[-2319.811442237272], [-2338.6939516205293], [-2509.576351148123], [-2514.693610325395], [-2453.9685075478533], [-2408.826960916722], [-2402.4593509412534], [-2406.7810281886436], [-2494.846867087212], [-2418.435099944877], [-2395.535700602652], [-2500.0025714046983], [-2450.433354942487], [-2431.0939696852083], [-2471.2752034035616], [-2440.4343619924352], [-2494.49521624584], [-2333.2614636821368], [-2485.2535414611707], [-2463.3750917432562]], "@type": "numpy.ndarray"}, "unit": "dimensionless", "@type": "openff.evaluator.unit.Quantity"}, "gradients": [], "@type": "openff.evaluator.utils.observables.ObservableArray"}}, "@type": "openff.evaluator.utils.observables.ObservableFrame"}} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint.json b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint.json new file mode 100644 index 00000000..6c59aace --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint.json @@ -0,0 +1 @@ +{"output_frequency": 5000, "checkpoint_frequency": 10, "steps_per_iteration": 100000, "current_step_number": 100000, "@type": "openff.evaluator.protocols.openmm.OpenMMSimulation._Checkpoint"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint_state.xml b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint_state.xml new file mode 100644 index 00000000..fcecbea0 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/checkpoint_state.xml @@ -0,0 +1,5776 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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1.00 0.00 H +HETATM 80 H4 HMW A 7 18.216 5.626 20.302 1.00 0.00 H +HETATM 81 H5 HMW A 7 19.669 5.836 19.343 1.00 0.00 H +HETATM 82 H6 HMW A 7 18.136 7.767 19.094 1.00 0.00 H +HETATM 83 H7 HMW A 7 16.843 6.706 18.548 1.00 0.00 H +HETATM 84 H8 HMW A 7 19.369 7.093 17.187 1.00 0.00 H +HETATM 85 C1 HMW A 8 24.005 20.696 14.845 1.00 0.00 C +HETATM 86 C2 HMW A 8 24.479 21.158 16.233 1.00 0.00 C +HETATM 87 C3 HMW A 8 25.531 22.276 16.131 1.00 0.00 C +HETATM 88 O1 HMW A 8 26.689 21.808 15.437 1.00 0.00 O +HETATM 89 H1 HMW A 8 23.579 21.531 14.289 1.00 0.00 H +HETATM 90 H2 HMW A 8 24.836 20.283 14.272 1.00 0.00 H +HETATM 91 H3 HMW A 8 23.243 19.922 14.937 1.00 0.00 H +HETATM 92 H4 HMW A 8 23.624 21.526 16.800 1.00 0.00 H +HETATM 93 H5 HMW A 8 24.895 20.312 16.781 1.00 0.00 H +HETATM 94 H6 HMW A 8 25.811 22.608 17.131 1.00 0.00 H +HETATM 95 H7 HMW A 8 25.112 23.136 15.608 1.00 0.00 H +HETATM 96 H8 HMW A 8 27.074 21.013 15.863 1.00 0.00 H +HETATM 97 C1 HMW A 9 6.205 27.101 6.897 1.00 0.00 C +HETATM 98 C2 HMW A 9 6.946 27.300 8.231 1.00 0.00 C +HETATM 99 C3 HMW A 9 8.253 26.496 8.277 1.00 0.00 C +HETATM 100 O1 HMW A 9 7.975 25.096 8.232 1.00 0.00 O +HETATM 101 H1 HMW A 9 6.825 27.437 6.065 1.00 0.00 H +HETATM 102 H2 HMW A 9 5.958 26.050 6.745 1.00 0.00 H +HETATM 103 H3 HMW A 9 5.280 27.677 6.892 1.00 0.00 H +HETATM 104 H4 HMW A 9 7.175 28.359 8.357 1.00 0.00 H +HETATM 105 H5 HMW A 9 6.306 27.008 9.063 1.00 0.00 H +HETATM 106 H6 HMW A 9 8.796 26.731 9.193 1.00 0.00 H +HETATM 107 H7 HMW A 9 8.887 26.778 7.437 1.00 0.00 H +HETATM 108 H8 HMW A 9 7.447 24.809 9.008 1.00 0.00 H +HETATM 109 C1 HMW A 10 26.771 12.509 5.842 1.00 0.00 C +HETATM 110 C2 HMW A 10 26.568 13.105 7.244 1.00 0.00 C +HETATM 111 C3 HMW A 10 26.588 12.019 8.329 1.00 0.00 C +HETATM 112 O1 HMW A 10 25.487 11.129 8.147 1.00 0.00 O +HETATM 113 H1 HMW A 10 27.716 11.968 5.790 1.00 0.00 H +HETATM 114 H2 HMW A 10 25.962 11.821 5.595 1.00 0.00 H +HETATM 115 H3 HMW A 10 26.788 13.303 5.095 1.00 0.00 H +HETATM 116 H4 HMW A 10 27.364 13.822 7.446 1.00 0.00 H +HETATM 117 H5 HMW A 10 25.625 13.650 7.282 1.00 0.00 H +HETATM 118 H6 HMW A 10 26.523 12.482 9.314 1.00 0.00 H +HETATM 119 H7 HMW A 10 27.528 11.468 8.287 1.00 0.00 H +HETATM 120 H8 HMW A 10 24.637 11.617 8.106 1.00 0.00 H +HETATM 121 C1 HMW A 11 24.859 29.003 24.922 1.00 0.00 C +HETATM 122 C2 HMW A 11 25.757 28.598 23.739 1.00 0.00 C +HETATM 123 C3 HMW A 11 24.999 27.738 22.717 1.00 0.00 C +HETATM 124 O1 HMW A 11 24.573 26.520 23.331 1.00 0.00 O +HETATM 125 H1 HMW A 11 23.996 29.570 24.570 1.00 0.00 H +HETATM 126 H2 HMW A 11 24.503 28.124 25.458 1.00 0.00 H +HETATM 127 H3 HMW A 11 25.416 29.627 25.621 1.00 0.00 H +HETATM 128 H4 HMW A 11 26.125 29.498 23.246 1.00 0.00 H +HETATM 129 H5 HMW A 11 26.626 28.051 24.106 1.00 0.00 H +HETATM 130 H6 HMW A 11 25.647 27.517 21.869 1.00 0.00 H +HETATM 131 H7 HMW A 11 24.139 28.288 22.335 1.00 0.00 H +HETATM 132 H8 HMW A 11 25.336 25.964 23.597 1.00 0.00 H +HETATM 133 C1 HMW A 12 16.701 13.046 9.107 1.00 0.00 C +HETATM 134 C2 HMW A 12 16.187 13.160 7.666 1.00 0.00 C +HETATM 135 C3 HMW A 12 17.095 12.437 6.660 1.00 0.00 C +HETATM 136 O1 HMW A 12 18.427 12.948 6.728 1.00 0.00 O +HETATM 137 H1 HMW A 12 16.832 12.001 9.388 1.00 0.00 H +HETATM 138 H2 HMW A 12 17.658 13.560 9.207 1.00 0.00 H +HETATM 139 H3 HMW A 12 15.990 13.510 9.790 1.00 0.00 H +HETATM 140 H4 HMW A 12 15.183 12.739 7.605 1.00 0.00 H +HETATM 141 H5 HMW A 12 16.111 14.213 7.395 1.00 0.00 H +HETATM 142 H6 HMW A 12 16.701 12.578 5.654 1.00 0.00 H +HETATM 143 H7 HMW A 12 17.100 11.366 6.864 1.00 0.00 H +HETATM 144 H8 HMW A 12 18.954 12.684 5.945 1.00 0.00 H +HETATM 145 C1 HMW A 13 14.986 23.105 7.094 1.00 0.00 C +HETATM 146 C2 HMW A 13 14.247 22.028 6.282 1.00 0.00 C +HETATM 147 C3 HMW A 13 13.767 22.572 4.928 1.00 0.00 C +HETATM 148 O1 HMW A 13 12.718 23.518 5.124 1.00 0.00 O +HETATM 149 H1 HMW A 13 15.840 23.484 6.534 1.00 0.00 H +HETATM 150 H2 HMW A 13 14.324 23.941 7.321 1.00 0.00 H +HETATM 151 H3 HMW A 13 15.353 22.686 8.031 1.00 0.00 H +HETATM 152 H4 HMW A 13 14.922 21.190 6.110 1.00 0.00 H +HETATM 153 H5 HMW A 13 13.397 21.647 6.849 1.00 0.00 H +HETATM 154 H6 HMW A 13 13.400 21.753 4.309 1.00 0.00 H +HETATM 155 H7 HMW A 13 14.598 23.032 4.394 1.00 0.00 H +HETATM 156 H8 HMW A 13 11.931 23.098 5.533 1.00 0.00 H +HETATM 157 C1 HMW A 14 5.292 11.962 13.714 1.00 0.00 C +HETATM 158 C2 HMW A 14 6.020 10.775 13.060 1.00 0.00 C +HETATM 159 C3 HMW A 14 7.538 10.842 13.272 1.00 0.00 C +HETATM 160 O1 HMW A 14 8.065 12.012 12.649 1.00 0.00 O +HETATM 161 H1 HMW A 14 5.497 11.994 14.785 1.00 0.00 H +HETATM 162 H2 HMW A 14 5.610 12.905 13.269 1.00 0.00 H +HETATM 163 H3 HMW A 14 4.215 11.863 13.574 1.00 0.00 H +HETATM 164 H4 HMW A 14 5.644 9.846 13.489 1.00 0.00 H +HETATM 165 H5 HMW A 14 5.797 10.746 11.993 1.00 0.00 H +HETATM 166 H6 HMW A 14 8.006 9.954 12.848 1.00 0.00 H +HETATM 167 H7 HMW A 14 7.767 10.854 14.338 1.00 0.00 H +HETATM 168 H8 HMW A 14 7.855 12.032 11.691 1.00 0.00 H +HETATM 169 C1 HMW A 15 18.070 22.996 2.795 1.00 0.00 C +HETATM 170 C2 HMW A 15 17.429 24.233 2.149 1.00 0.00 C +HETATM 171 C3 HMW A 15 17.364 25.427 3.113 1.00 0.00 C +HETATM 172 O1 HMW A 15 16.571 25.109 4.258 1.00 0.00 O +HETATM 173 H1 HMW A 15 19.076 23.228 3.146 1.00 0.00 H +HETATM 174 H2 HMW A 15 17.472 22.645 3.636 1.00 0.00 H +HETATM 175 H3 HMW A 15 18.138 22.187 2.066 1.00 0.00 H +HETATM 176 H4 HMW A 15 18.007 24.516 1.269 1.00 0.00 H +HETATM 177 H5 HMW A 15 16.424 23.986 1.806 1.00 0.00 H +HETATM 178 H6 HMW A 15 16.934 26.286 2.598 1.00 0.00 H +HETATM 179 H7 HMW A 15 18.370 25.704 3.428 1.00 0.00 H +HETATM 180 H8 HMW A 15 15.678 24.791 4.005 1.00 0.00 H +HETATM 181 C1 HMW A 16 20.635 22.731 26.295 1.00 0.00 C +HETATM 182 C2 HMW A 16 19.937 21.971 27.436 1.00 0.00 C +HETATM 183 C3 HMW A 16 20.835 20.877 28.033 1.00 0.00 C +HETATM 184 O1 HMW A 16 21.161 19.895 27.049 1.00 0.00 O +HETATM 185 H1 HMW A 16 21.566 23.178 26.644 1.00 0.00 H +HETATM 186 H2 HMW A 16 20.856 22.059 25.466 1.00 0.00 H +HETATM 187 H3 HMW A 16 19.989 23.527 25.924 1.00 0.00 H +HETATM 188 H4 HMW A 16 19.666 22.676 28.222 1.00 0.00 H +HETATM 189 H5 HMW A 16 19.012 21.528 27.066 1.00 0.00 H +HETATM 190 H6 HMW A 16 20.329 20.404 28.874 1.00 0.00 H +HETATM 191 H7 HMW A 16 21.751 21.326 28.419 1.00 0.00 H +HETATM 192 H8 HMW A 16 20.370 19.404 26.739 1.00 0.00 H +HETATM 193 C1 HMW A 17 18.517 1.192 4.818 1.00 0.00 C +HETATM 194 C2 HMW A 17 19.411 -0.023 4.514 1.00 0.00 C +HETATM 195 C3 HMW A 17 20.035 -0.610 5.788 1.00 0.00 C +HETATM 196 O1 HMW A 17 21.092 0.226 6.269 1.00 0.00 O +HETATM 197 H1 HMW A 17 17.716 0.911 5.502 1.00 0.00 H +HETATM 198 H2 HMW A 17 19.092 2.001 5.269 1.00 0.00 H +HETATM 199 H3 HMW A 17 18.066 1.563 3.898 1.00 0.00 H +HETATM 200 H4 HMW A 17 18.804 -0.793 4.038 1.00 0.00 H +HETATM 201 H5 HMW A 17 20.194 0.251 3.807 1.00 0.00 H +HETATM 202 H6 HMW A 17 20.440 -1.598 5.570 1.00 0.00 H +HETATM 203 H7 HMW A 17 19.267 -0.742 6.550 1.00 0.00 H +HETATM 204 H8 HMW A 17 20.793 1.144 6.442 1.00 0.00 H +HETATM 205 C1 HMW A 18 18.175 4.673 26.815 1.00 0.00 C +HETATM 206 C2 HMW A 18 17.611 5.858 27.618 1.00 0.00 C +HETATM 207 C3 HMW A 18 17.520 7.129 26.762 1.00 0.00 C +HETATM 208 O1 HMW A 18 18.832 7.577 26.411 1.00 0.00 O +HETATM 209 H1 HMW A 18 17.549 4.467 25.946 1.00 0.00 H +HETATM 210 H2 HMW A 18 19.188 4.884 26.473 1.00 0.00 H +HETATM 211 H3 HMW A 18 18.207 3.778 27.437 1.00 0.00 H +HETATM 212 H4 HMW A 18 16.616 5.603 27.982 1.00 0.00 H +HETATM 213 H5 HMW A 18 18.235 6.045 28.492 1.00 0.00 H +HETATM 214 H6 HMW A 18 17.005 7.910 27.322 1.00 0.00 H +HETATM 215 H7 HMW A 18 16.935 6.932 25.864 1.00 0.00 H +HETATM 216 H8 HMW A 18 19.306 7.922 27.198 1.00 0.00 H +HETATM 217 C1 HMW A 19 13.587 2.060 4.545 1.00 0.00 C +HETATM 218 C2 HMW A 19 14.947 2.570 5.049 1.00 0.00 C +HETATM 219 C3 HMW A 19 14.850 3.992 5.619 1.00 0.00 C +HETATM 220 O1 HMW A 19 14.401 4.907 4.617 1.00 0.00 O +HETATM 221 H1 HMW A 19 12.844 2.103 5.342 1.00 0.00 H +HETATM 222 H2 HMW A 19 13.236 2.664 3.708 1.00 0.00 H +HETATM 223 H3 HMW A 19 13.674 1.027 4.209 1.00 0.00 H +HETATM 224 H4 HMW A 19 15.311 1.902 5.830 1.00 0.00 H +HETATM 225 H5 HMW A 19 15.674 2.542 4.237 1.00 0.00 H +HETATM 226 H6 HMW A 19 15.827 4.303 5.989 1.00 0.00 H +HETATM 227 H7 HMW A 19 14.159 4.001 6.462 1.00 0.00 H +HETATM 228 H8 HMW A 19 15.039 4.971 3.874 1.00 0.00 H +HETATM 229 C1 HMW A 20 24.235 15.741 4.717 1.00 0.00 C +HETATM 230 C2 HMW A 20 22.866 16.041 4.081 1.00 0.00 C +HETATM 231 C3 HMW A 20 21.791 15.027 4.502 1.00 0.00 C +HETATM 232 O1 HMW A 20 22.183 13.709 4.119 1.00 0.00 O +HETATM 233 H1 HMW A 20 24.168 15.775 5.805 1.00 0.00 H +HETATM 234 H2 HMW A 20 24.593 14.755 4.419 1.00 0.00 H +HETATM 235 H3 HMW A 20 24.967 16.482 4.396 1.00 0.00 H +HETATM 236 H4 HMW A 20 22.546 17.042 4.370 1.00 0.00 H +HETATM 237 H5 HMW A 20 22.961 16.036 2.995 1.00 0.00 H +HETATM 238 H6 HMW A 20 20.847 15.282 4.022 1.00 0.00 H +HETATM 239 H7 HMW A 20 21.631 15.072 5.580 1.00 0.00 H +HETATM 240 H8 HMW A 20 22.450 13.678 3.175 1.00 0.00 H +HETATM 241 C1 HMW A 21 26.504 8.713 5.038 1.00 0.00 C +HETATM 242 C2 HMW A 21 27.093 8.465 6.436 1.00 0.00 C +HETATM 243 C3 HMW A 21 26.110 7.727 7.360 1.00 0.00 C +HETATM 244 O1 HMW A 21 24.949 8.526 7.583 1.00 0.00 O +HETATM 245 H1 HMW A 21 26.294 7.764 4.542 1.00 0.00 H +HETATM 246 H2 HMW A 21 25.580 9.289 5.102 1.00 0.00 H +HETATM 247 H3 HMW A 21 27.213 9.269 4.425 1.00 0.00 H +HETATM 248 H4 HMW A 21 28.005 7.875 6.340 1.00 0.00 H +HETATM 249 H5 HMW A 21 27.375 9.416 6.889 1.00 0.00 H +HETATM 250 H6 HMW A 21 26.598 7.527 8.314 1.00 0.00 H +HETATM 251 H7 HMW A 21 25.829 6.769 6.923 1.00 0.00 H +HETATM 252 H8 HMW A 21 25.195 9.438 7.848 1.00 0.00 H +HETATM 253 C1 HMW A 22 19.941 9.700 16.348 1.00 0.00 C +HETATM 254 C2 HMW A 22 18.960 10.231 17.405 1.00 0.00 C +HETATM 255 C3 HMW A 22 18.538 11.681 17.137 1.00 0.00 C +HETATM 256 O1 HMW A 22 19.664 12.538 17.267 1.00 0.00 O +HETATM 257 H1 HMW A 22 19.453 9.648 15.375 1.00 0.00 H +HETATM 258 H2 HMW A 22 20.819 10.341 16.275 1.00 0.00 H +HETATM 259 H3 HMW A 22 20.282 8.698 16.612 1.00 0.00 H +HETATM 260 H4 HMW A 22 18.071 9.601 17.414 1.00 0.00 H +HETATM 261 H5 HMW A 22 19.409 10.162 18.396 1.00 0.00 H +HETATM 262 H6 HMW A 22 17.773 11.976 17.855 1.00 0.00 H +HETATM 263 H7 HMW A 22 18.112 11.774 16.138 1.00 0.00 H +HETATM 264 H8 HMW A 22 20.133 12.391 18.116 1.00 0.00 H +HETATM 265 C1 HMW A 23 11.499 3.608 10.222 1.00 0.00 C +HETATM 266 C2 HMW A 23 10.347 2.964 11.008 1.00 0.00 C +HETATM 267 C3 HMW A 23 10.579 3.012 12.525 1.00 0.00 C +HETATM 268 O1 HMW A 23 11.780 2.319 12.877 1.00 0.00 O +HETATM 269 H1 HMW A 23 11.668 4.630 10.561 1.00 0.00 H +HETATM 270 H2 HMW A 23 12.420 3.038 10.349 1.00 0.00 H +HETATM 271 H3 HMW A 23 11.258 3.629 9.159 1.00 0.00 H +HETATM 272 H4 HMW A 23 9.420 3.490 10.776 1.00 0.00 H +HETATM 273 H5 HMW A 23 10.217 1.930 10.687 1.00 0.00 H +HETATM 274 H6 HMW A 23 9.730 2.553 13.031 1.00 0.00 H +HETATM 275 H7 HMW A 23 10.637 4.048 12.860 1.00 0.00 H +HETATM 276 H8 HMW A 23 11.820 1.430 12.463 1.00 0.00 H +HETATM 277 C1 HMW A 24 5.051 7.058 3.415 1.00 0.00 C +HETATM 278 C2 HMW A 24 4.687 8.448 2.867 1.00 0.00 C +HETATM 279 C3 HMW A 24 3.263 8.485 2.290 1.00 0.00 C +HETATM 280 O1 HMW A 24 3.194 7.718 1.087 1.00 0.00 O +HETATM 281 H1 HMW A 24 4.364 6.768 4.210 1.00 0.00 H +HETATM 282 H2 HMW A 24 5.005 6.306 2.626 1.00 0.00 H +HETATM 283 H3 HMW A 24 6.063 7.065 3.818 1.00 0.00 H +HETATM 284 H4 HMW A 24 4.763 9.177 3.674 1.00 0.00 H +HETATM 285 H5 HMW A 24 5.403 8.744 2.099 1.00 0.00 H +HETATM 286 H6 HMW A 24 2.983 9.517 2.078 1.00 0.00 H +HETATM 287 H7 HMW A 24 2.554 8.096 3.022 1.00 0.00 H +HETATM 288 H8 HMW A 24 3.771 8.097 0.388 1.00 0.00 H +HETATM 289 C1 HMW A 25 5.891 25.056 1.021 1.00 0.00 C +HETATM 290 C2 HMW A 25 6.548 25.879 2.141 1.00 0.00 C +HETATM 291 C3 HMW A 25 6.438 25.187 3.507 1.00 0.00 C +HETATM 292 O1 HMW A 25 5.070 25.113 3.924 1.00 0.00 O +HETATM 293 H1 HMW A 25 6.392 24.094 0.912 1.00 0.00 H +HETATM 294 H2 HMW A 25 4.837 24.880 1.235 1.00 0.00 H +HETATM 295 H3 HMW A 25 5.966 25.586 0.072 1.00 0.00 H +HETATM 296 H4 HMW A 25 7.602 26.025 1.901 1.00 0.00 H +HETATM 297 H5 HMW A 25 6.090 26.867 2.193 1.00 0.00 H +HETATM 298 H6 HMW A 25 7.015 25.746 4.244 1.00 0.00 H +HETATM 299 H7 HMW A 25 6.865 24.185 3.453 1.00 0.00 H +HETATM 300 H8 HMW A 25 4.635 25.991 3.889 1.00 0.00 H +HETATM 301 C1 HMW A 26 25.986 21.734 11.971 1.00 0.00 C +HETATM 302 C2 HMW A 26 26.406 22.578 10.757 1.00 0.00 C +HETATM 303 C3 HMW A 26 27.282 23.771 11.170 1.00 0.00 C +HETATM 304 O1 HMW A 26 26.546 24.656 12.012 1.00 0.00 O +HETATM 305 H1 HMW A 26 26.863 21.351 12.493 1.00 0.00 H +HETATM 306 H2 HMW A 26 25.399 22.333 12.668 1.00 0.00 H +HETATM 307 H3 HMW A 26 25.378 20.889 11.649 1.00 0.00 H +HETATM 308 H4 HMW A 26 26.962 21.951 10.059 1.00 0.00 H +HETATM 309 H5 HMW A 26 25.520 22.937 10.234 1.00 0.00 H +HETATM 310 H6 HMW A 26 27.613 24.308 10.280 1.00 0.00 H +HETATM 311 H7 HMW A 26 28.171 23.415 11.690 1.00 0.00 H +HETATM 312 H8 HMW A 26 25.786 25.055 11.536 1.00 0.00 H +HETATM 313 C1 HMW A 27 9.765 14.914 23.212 1.00 0.00 C +HETATM 314 C2 HMW A 27 9.660 15.877 22.017 1.00 0.00 C +HETATM 315 C3 HMW A 27 10.472 15.387 20.808 1.00 0.00 C +HETATM 316 O1 HMW A 27 11.852 15.258 21.157 1.00 0.00 O +HETATM 317 H1 HMW A 27 9.403 13.924 22.933 1.00 0.00 H +HETATM 318 H2 HMW A 27 10.798 14.828 23.551 1.00 0.00 H +HETATM 319 H3 HMW A 27 9.163 15.277 24.044 1.00 0.00 H +HETATM 320 H4 HMW A 27 8.614 15.977 21.727 1.00 0.00 H +HETATM 321 H5 HMW A 27 10.004 16.868 22.315 1.00 0.00 H +HETATM 322 H6 HMW A 27 10.364 16.092 19.984 1.00 0.00 H +HETATM 323 H7 HMW A 27 10.083 14.427 20.466 1.00 0.00 H +HETATM 324 H8 HMW A 27 12.235 16.122 21.423 1.00 0.00 H +HETATM 325 C1 HMW A 28 19.637 23.099 22.276 1.00 0.00 C +HETATM 326 C2 HMW A 28 19.904 22.646 20.830 1.00 0.00 C +HETATM 327 C3 HMW A 28 18.654 22.772 19.946 1.00 0.00 C +HETATM 328 O1 HMW A 28 17.601 21.953 20.449 1.00 0.00 O +HETATM 329 H1 HMW A 28 19.257 24.121 22.295 1.00 0.00 H +HETATM 330 H2 HMW A 28 18.910 22.444 22.756 1.00 0.00 H +HETATM 331 H3 HMW A 28 20.559 23.064 22.856 1.00 0.00 H +HETATM 332 H4 HMW A 28 20.704 23.253 20.405 1.00 0.00 H +HETATM 333 H5 HMW A 28 20.251 21.612 20.826 1.00 0.00 H +HETATM 334 H6 HMW A 28 18.898 22.469 18.928 1.00 0.00 H +HETATM 335 H7 HMW A 28 18.329 23.812 19.911 1.00 0.00 H +HETATM 336 H8 HMW A 28 17.877 21.015 20.534 1.00 0.00 H +HETATM 337 C1 HMW A 29 19.475 27.840 15.040 1.00 0.00 C +HETATM 338 C2 HMW A 29 19.956 28.163 13.612 1.00 0.00 C +HETATM 339 C3 HMW A 29 21.444 27.833 13.417 1.00 0.00 C +HETATM 340 O1 HMW A 29 22.236 28.571 14.346 1.00 0.00 O +HETATM 341 H1 HMW A 29 19.642 26.788 15.271 1.00 0.00 H +HETATM 342 H2 HMW A 29 20.007 28.446 15.773 1.00 0.00 H +HETATM 343 H3 HMW A 29 18.410 28.051 15.133 1.00 0.00 H +HETATM 344 H4 HMW A 29 19.368 27.588 12.896 1.00 0.00 H +HETATM 345 H5 HMW A 29 19.784 29.217 13.396 1.00 0.00 H +HETATM 346 H6 HMW A 29 21.745 28.078 12.399 1.00 0.00 H +HETATM 347 H7 HMW A 29 21.609 26.764 13.557 1.00 0.00 H +HETATM 348 H8 HMW A 29 22.176 29.537 14.186 1.00 0.00 H +HETATM 349 C1 HMW A 30 17.698 4.050 13.326 1.00 0.00 C +HETATM 350 C2 HMW A 30 17.815 5.508 12.844 1.00 0.00 C +HETATM 351 C3 HMW A 30 18.112 6.460 14.006 1.00 0.00 C +HETATM 352 O1 HMW A 30 17.046 6.435 14.954 1.00 0.00 O +HETATM 353 H1 HMW A 30 18.591 3.750 13.875 1.00 0.00 H +HETATM 354 H2 HMW A 30 16.837 3.930 13.983 1.00 0.00 H +HETATM 355 H3 HMW A 30 17.577 3.380 12.475 1.00 0.00 H +HETATM 356 H4 HMW A 30 18.621 5.581 12.113 1.00 0.00 H +HETATM 357 H5 HMW A 30 16.893 5.808 12.345 1.00 0.00 H +HETATM 358 H6 HMW A 30 18.250 7.475 13.634 1.00 0.00 H +HETATM 359 H7 HMW A 30 19.041 6.160 14.491 1.00 0.00 H +HETATM 360 H8 HMW A 30 17.368 6.689 15.845 1.00 0.00 H +HETATM 361 C1 HMW A 31 9.496 17.695 10.270 1.00 0.00 C +HETATM 362 C2 HMW A 31 8.339 16.687 10.232 1.00 0.00 C +HETATM 363 C3 HMW A 31 7.006 17.354 9.864 1.00 0.00 C +HETATM 364 O1 HMW A 31 6.613 18.281 10.878 1.00 0.00 O +HETATM 365 H1 HMW A 31 9.611 18.180 9.300 1.00 0.00 H +HETATM 366 H2 HMW A 31 9.315 18.463 11.023 1.00 0.00 H +HETATM 367 H3 HMW A 31 10.428 17.182 10.510 1.00 0.00 H +HETATM 368 H4 HMW A 31 8.568 15.920 9.491 1.00 0.00 H +HETATM 369 H5 HMW A 31 8.250 16.187 11.196 1.00 0.00 H +HETATM 370 H6 HMW A 31 6.236 16.591 9.753 1.00 0.00 H +HETATM 371 H7 HMW A 31 7.097 17.866 8.906 1.00 0.00 H +HETATM 372 H8 HMW A 31 6.547 17.852 11.758 1.00 0.00 H +HETATM 373 C1 HMW A 32 25.729 22.079 21.084 1.00 0.00 C +HETATM 374 C2 HMW A 32 24.781 23.278 21.269 1.00 0.00 C +HETATM 375 C3 HMW A 32 25.317 24.545 20.583 1.00 0.00 C +HETATM 376 O1 HMW A 32 26.592 24.896 21.125 1.00 0.00 O +HETATM 377 H1 HMW A 32 25.856 21.852 20.025 1.00 0.00 H +HETATM 378 H2 HMW A 32 26.708 22.288 21.516 1.00 0.00 H +HETATM 379 H3 HMW A 32 25.323 21.198 21.582 1.00 0.00 H +HETATM 380 H4 HMW A 32 23.804 23.032 20.854 1.00 0.00 H +HETATM 381 H5 HMW A 32 24.636 23.471 22.332 1.00 0.00 H +HETATM 382 H6 HMW A 32 24.614 25.365 20.732 1.00 0.00 H +HETATM 383 H7 HMW A 32 25.404 24.380 19.509 1.00 0.00 H +HETATM 384 H8 HMW A 32 26.562 24.970 22.103 1.00 0.00 H +HETATM 385 C1 HMW A 33 7.401 25.613 22.478 1.00 0.00 C +HETATM 386 C2 HMW A 33 6.430 26.480 23.295 1.00 0.00 C +HETATM 387 C3 HMW A 33 5.561 25.628 24.232 1.00 0.00 C +HETATM 388 O1 HMW A 33 4.763 24.722 23.471 1.00 0.00 O +HETATM 389 H1 HMW A 33 8.014 25.004 23.143 1.00 0.00 H +HETATM 390 H2 HMW A 33 6.857 24.952 21.804 1.00 0.00 H +HETATM 391 H3 HMW A 33 8.060 26.242 21.879 1.00 0.00 H +HETATM 392 H4 HMW A 33 7.002 27.192 23.890 1.00 0.00 H +HETATM 393 H5 HMW A 33 5.797 27.059 22.622 1.00 0.00 H +HETATM 394 H6 HMW A 33 4.917 26.280 24.823 1.00 0.00 H +HETATM 395 H7 HMW A 33 6.193 25.074 24.925 1.00 0.00 H +HETATM 396 H8 HMW A 33 4.234 25.192 22.791 1.00 0.00 H +HETATM 397 C1 HMW A 34 4.098 25.644 20.091 1.00 0.00 C +HETATM 398 C2 HMW A 34 3.468 24.361 19.525 1.00 0.00 C +HETATM 399 C3 HMW A 34 3.856 23.108 20.327 1.00 0.00 C +HETATM 400 O1 HMW A 34 5.267 22.889 20.254 1.00 0.00 O +HETATM 401 H1 HMW A 34 3.771 25.811 21.118 1.00 0.00 H +HETATM 402 H2 HMW A 34 5.186 25.584 20.070 1.00 0.00 H +HETATM 403 H3 HMW A 34 3.794 26.505 19.494 1.00 0.00 H +HETATM 404 H4 HMW A 34 2.383 24.465 19.530 1.00 0.00 H +HETATM 405 H5 HMW A 34 3.774 24.234 18.486 1.00 0.00 H +HETATM 406 H6 HMW A 34 3.334 22.243 19.917 1.00 0.00 H +HETATM 407 H7 HMW A 34 3.543 23.216 21.366 1.00 0.00 H +HETATM 408 H8 HMW A 34 5.570 22.863 19.321 1.00 0.00 H +HETATM 409 C1 HMW A 35 13.605 25.131 27.654 1.00 0.00 C +HETATM 410 C2 HMW A 35 14.720 24.257 27.053 1.00 0.00 C +HETATM 411 C3 HMW A 35 16.110 24.875 27.261 1.00 0.00 C +HETATM 412 O1 HMW A 35 16.181 26.142 26.617 1.00 0.00 O +HETATM 413 H1 HMW A 35 13.789 25.315 28.712 1.00 0.00 H +HETATM 414 H2 HMW A 35 13.550 26.091 27.140 1.00 0.00 H +HETATM 415 H3 HMW A 35 12.640 24.633 27.554 1.00 0.00 H +HETATM 416 H4 HMW A 35 14.695 23.270 27.516 1.00 0.00 H +HETATM 417 H5 HMW A 35 14.540 24.117 25.987 1.00 0.00 H +HETATM 418 H6 HMW A 35 16.870 24.212 26.848 1.00 0.00 H +HETATM 419 H7 HMW A 35 16.312 24.988 28.326 1.00 0.00 H +HETATM 420 H8 HMW A 35 15.964 26.078 25.662 1.00 0.00 H +HETATM 421 C1 HMW A 36 16.359 5.646 1.853 1.00 0.00 C +HETATM 422 C2 HMW A 36 17.187 4.469 2.396 1.00 0.00 C +HETATM 423 C3 HMW A 36 18.683 4.605 2.068 1.00 0.00 C +HETATM 424 O1 HMW A 36 18.884 4.657 0.656 1.00 0.00 O +HETATM 425 H1 HMW A 36 16.651 6.575 2.344 1.00 0.00 H +HETATM 426 H2 HMW A 36 16.500 5.758 0.778 1.00 0.00 H +HETATM 427 H3 HMW A 36 15.297 5.479 2.036 1.00 0.00 H +HETATM 428 H4 HMW A 36 17.068 4.413 3.479 1.00 0.00 H +HETATM 429 H5 HMW A 36 16.810 3.535 1.978 1.00 0.00 H +HETATM 430 H6 HMW A 36 19.222 3.753 2.482 1.00 0.00 H +HETATM 431 H7 HMW A 36 19.087 5.506 2.531 1.00 0.00 H +HETATM 432 H8 HMW A 36 18.451 3.904 0.199 1.00 0.00 H +HETATM 433 C1 HMW A 37 19.291 3.449 22.551 1.00 0.00 C +HETATM 434 C2 HMW A 37 18.845 2.069 23.063 1.00 0.00 C +HETATM 435 C3 HMW A 37 19.577 1.681 24.354 1.00 0.00 C +HETATM 436 O1 HMW A 37 20.982 1.591 24.116 1.00 0.00 O +HETATM 437 H1 HMW A 37 19.100 4.216 23.302 1.00 0.00 H +HETATM 438 H2 HMW A 37 20.355 3.449 22.314 1.00 0.00 H +HETATM 439 H3 HMW A 37 18.741 3.706 21.645 1.00 0.00 H +HETATM 440 H4 HMW A 37 17.772 2.086 23.252 1.00 0.00 H +HETATM 441 H5 HMW A 37 19.027 1.314 22.299 1.00 0.00 H +HETATM 442 H6 HMW A 37 19.206 0.722 24.715 1.00 0.00 H +HETATM 443 H7 HMW A 37 19.378 2.423 25.128 1.00 0.00 H +HETATM 444 H8 HMW A 37 21.204 0.806 23.572 1.00 0.00 H +HETATM 445 C1 HMW A 38 3.858 3.268 8.866 1.00 0.00 C +HETATM 446 C2 HMW A 38 4.142 3.529 10.355 1.00 0.00 C +HETATM 447 C3 HMW A 38 3.442 4.795 10.872 1.00 0.00 C +HETATM 448 O1 HMW A 38 3.921 5.951 10.184 1.00 0.00 O +HETATM 449 H1 HMW A 38 2.785 3.200 8.687 1.00 0.00 H +HETATM 450 H2 HMW A 38 4.271 4.066 8.250 1.00 0.00 H +HETATM 451 H3 HMW A 38 4.318 2.329 8.558 1.00 0.00 H +HETATM 452 H4 HMW A 38 3.799 2.674 10.938 1.00 0.00 H +HETATM 453 H5 HMW A 38 5.217 3.615 10.512 1.00 0.00 H +HETATM 454 H6 HMW A 38 3.636 4.898 11.939 1.00 0.00 H +HETATM 455 H7 HMW A 38 2.362 4.708 10.744 1.00 0.00 H +HETATM 456 H8 HMW A 38 3.609 5.976 9.254 1.00 0.00 H +HETATM 457 C1 HMW A 39 10.195 16.446 2.048 1.00 0.00 C +HETATM 458 C2 HMW A 39 10.042 16.103 3.539 1.00 0.00 C +HETATM 459 C3 HMW A 39 11.136 15.138 4.021 1.00 0.00 C +HETATM 460 O1 HMW A 39 11.030 13.890 3.336 1.00 0.00 O +HETATM 461 H1 HMW A 39 11.175 16.883 1.857 1.00 0.00 H +HETATM 462 H2 HMW A 39 10.088 15.552 1.432 1.00 0.00 H +HETATM 463 H3 HMW A 39 9.433 17.165 1.748 1.00 0.00 H +HETATM 464 H4 HMW A 39 10.094 17.022 4.123 1.00 0.00 H +HETATM 465 H5 HMW A 39 9.059 15.667 3.719 1.00 0.00 H +HETATM 466 H6 HMW A 39 11.033 14.974 5.094 1.00 0.00 H +HETATM 467 H7 HMW A 39 12.119 15.575 3.848 1.00 0.00 H +HETATM 468 H8 HMW A 39 10.164 13.461 3.501 1.00 0.00 H +HETATM 469 C1 HMW A 40 14.002 11.411 25.102 1.00 0.00 C +HETATM 470 C2 HMW A 40 12.918 10.500 24.506 1.00 0.00 C +HETATM 471 C3 HMW A 40 13.394 9.800 23.224 1.00 0.00 C +HETATM 472 O1 HMW A 40 13.661 10.752 22.196 1.00 0.00 O +HETATM 473 H1 HMW A 40 14.896 10.835 25.340 1.00 0.00 H +HETATM 474 H2 HMW A 40 14.271 12.200 24.400 1.00 0.00 H +HETATM 475 H3 HMW A 40 13.640 11.878 26.019 1.00 0.00 H +HETATM 476 H4 HMW A 40 12.642 9.745 25.242 1.00 0.00 H +HETATM 477 H5 HMW A 40 12.023 11.085 24.294 1.00 0.00 H +HETATM 478 H6 HMW A 40 12.623 9.107 22.884 1.00 0.00 H +HETATM 479 H7 HMW A 40 14.290 9.215 23.431 1.00 0.00 H +HETATM 480 H8 HMW A 40 12.898 11.346 22.031 1.00 0.00 H +HETATM 481 C1 HMW A 41 17.800 18.468 28.720 1.00 0.00 C +HETATM 482 C2 HMW A 41 17.236 18.844 27.341 1.00 0.00 C +HETATM 483 C3 HMW A 41 17.843 17.984 26.224 1.00 0.00 C +HETATM 484 O1 HMW A 41 19.240 18.235 26.075 1.00 0.00 O +HETATM 485 H1 HMW A 41 17.566 17.431 28.958 1.00 0.00 H +HETATM 486 H2 HMW A 41 18.883 18.593 28.740 1.00 0.00 H +HETATM 487 H3 HMW A 41 17.367 19.107 29.490 1.00 0.00 H +HETATM 488 H4 HMW A 41 16.155 18.705 27.350 1.00 0.00 H +HETATM 489 H5 HMW A 41 17.423 19.898 27.136 1.00 0.00 H +HETATM 490 H6 HMW A 41 17.339 18.205 25.283 1.00 0.00 H +HETATM 491 H7 HMW A 41 17.680 16.928 26.441 1.00 0.00 H +HETATM 492 H8 HMW A 41 19.621 17.671 25.370 1.00 0.00 H +HETATM 493 C1 HMW A 42 7.148 9.091 21.250 1.00 0.00 C +HETATM 494 C2 HMW A 42 6.525 9.778 20.027 1.00 0.00 C +HETATM 495 C3 HMW A 42 5.052 9.383 19.854 1.00 0.00 C +HETATM 496 O1 HMW A 42 4.942 7.991 19.555 1.00 0.00 O +HETATM 497 H1 HMW A 42 6.567 9.308 22.146 1.00 0.00 H +HETATM 498 H2 HMW A 42 7.178 8.010 21.111 1.00 0.00 H +HETATM 499 H3 HMW A 42 8.166 9.450 21.400 1.00 0.00 H +HETATM 500 H4 HMW A 42 6.590 10.859 20.154 1.00 0.00 H +HETATM 501 H5 HMW A 42 7.091 9.517 19.133 1.00 0.00 H +HETATM 502 H6 HMW A 42 4.600 9.969 19.054 1.00 0.00 H +HETATM 503 H7 HMW A 42 4.508 9.610 20.771 1.00 0.00 H +HETATM 504 H8 HMW A 42 5.118 7.804 18.609 1.00 0.00 H +HETATM 505 C1 HMW A 43 12.287 24.628 24.211 1.00 0.00 C +HETATM 506 C2 HMW A 43 11.125 24.720 23.211 1.00 0.00 C +HETATM 507 C3 HMW A 43 10.533 23.340 22.892 1.00 0.00 C +HETATM 508 O1 HMW A 43 11.511 22.518 22.260 1.00 0.00 O +HETATM 509 H1 HMW A 43 11.961 24.140 25.130 1.00 0.00 H +HETATM 510 H2 HMW A 43 13.116 24.060 23.789 1.00 0.00 H +HETATM 511 H3 HMW A 43 12.649 25.626 24.459 1.00 0.00 H +HETATM 512 H4 HMW A 43 10.345 25.355 23.632 1.00 0.00 H +HETATM 513 H5 HMW A 43 11.466 25.195 22.291 1.00 0.00 H +HETATM 514 H6 HMW A 43 9.675 23.456 22.230 1.00 0.00 H +HETATM 515 H7 HMW A 43 10.181 22.863 23.806 1.00 0.00 H +HETATM 516 H8 HMW A 43 11.874 22.946 21.455 1.00 0.00 H +HETATM 517 C1 HMW A 44 7.907 14.741 18.232 1.00 0.00 C +HETATM 518 C2 HMW A 44 8.976 14.161 17.291 1.00 0.00 C +HETATM 519 C3 HMW A 44 8.495 12.881 16.586 1.00 0.00 C +HETATM 520 O1 HMW A 44 8.219 11.851 17.540 1.00 0.00 O +HETATM 521 H1 HMW A 44 6.984 14.940 17.688 1.00 0.00 H +HETATM 522 H2 HMW A 44 7.692 14.048 19.046 1.00 0.00 H +HETATM 523 H3 HMW A 44 8.257 15.677 18.667 1.00 0.00 H +HETATM 524 H4 HMW A 44 9.230 14.906 16.538 1.00 0.00 H +HETATM 525 H5 HMW A 44 9.887 13.956 17.854 1.00 0.00 H +HETATM 526 H6 HMW A 44 9.259 12.535 15.889 1.00 0.00 H +HETATM 527 H7 HMW A 44 7.601 13.098 16.002 1.00 0.00 H +HETATM 528 H8 HMW A 44 7.787 11.073 17.127 1.00 0.00 H +HETATM 529 C1 HMW A 45 22.051 12.266 24.786 1.00 0.00 C +HETATM 530 C2 HMW A 45 23.017 12.909 23.779 1.00 0.00 C +HETATM 531 C3 HMW A 45 23.561 14.247 24.302 1.00 0.00 C +HETATM 532 O1 HMW A 45 22.532 15.235 24.348 1.00 0.00 O +HETATM 533 H1 HMW A 45 22.565 12.049 25.722 1.00 0.00 H +HETATM 534 H2 HMW A 45 21.218 12.939 24.996 1.00 0.00 H +HETATM 535 H3 HMW A 45 21.651 11.334 24.387 1.00 0.00 H +HETATM 536 H4 HMW A 45 23.849 12.227 23.601 1.00 0.00 H +HETATM 537 H5 HMW A 45 22.513 13.066 22.824 1.00 0.00 H +HETATM 538 H6 HMW A 45 24.363 14.596 23.653 1.00 0.00 H +HETATM 539 H7 HMW A 45 23.988 14.110 25.296 1.00 0.00 H +HETATM 540 H8 HMW A 45 22.871 16.075 24.724 1.00 0.00 H +HETATM 541 C1 HMW A 46 15.027 6.977 21.170 1.00 0.00 C +HETATM 542 C2 HMW A 46 14.618 5.833 22.109 1.00 0.00 C +HETATM 543 C3 HMW A 46 15.755 4.827 22.333 1.00 0.00 C +HETATM 544 O1 HMW A 46 16.053 4.136 21.121 1.00 0.00 O +HETATM 545 H1 HMW A 46 15.893 7.508 21.565 1.00 0.00 H +HETATM 546 H2 HMW A 46 15.271 6.591 20.180 1.00 0.00 H +HETATM 547 H3 HMW A 46 14.207 7.688 21.066 1.00 0.00 H +HETATM 548 H4 HMW A 46 14.330 6.260 23.070 1.00 0.00 H +HETATM 549 H5 HMW A 46 13.750 5.315 21.702 1.00 0.00 H +HETATM 550 H6 HMW A 46 15.461 4.108 23.098 1.00 0.00 H +HETATM 551 H7 HMW A 46 16.644 5.344 22.694 1.00 0.00 H +HETATM 552 H8 HMW A 46 15.285 3.625 20.788 1.00 0.00 H +HETATM 553 C1 HMW A 47 14.472 13.710 18.066 1.00 0.00 C +HETATM 554 C2 HMW A 47 13.062 13.866 17.474 1.00 0.00 C +HETATM 555 C3 HMW A 47 12.547 12.562 16.845 1.00 0.00 C +HETATM 556 O1 HMW A 47 13.384 12.163 15.757 1.00 0.00 O +HETATM 557 H1 HMW A 47 14.465 12.975 18.872 1.00 0.00 H +HETATM 558 H2 HMW A 47 15.183 13.392 17.304 1.00 0.00 H +HETATM 559 H3 HMW A 47 14.813 14.662 18.474 1.00 0.00 H +HETATM 560 H4 HMW A 47 12.378 14.176 18.265 1.00 0.00 H +HETATM 561 H5 HMW A 47 13.061 14.659 16.727 1.00 0.00 H +HETATM 562 H6 HMW A 47 11.532 12.718 16.478 1.00 0.00 H +HETATM 563 H7 HMW A 47 12.508 11.774 17.597 1.00 0.00 H +HETATM 564 H8 HMW A 47 13.557 12.914 15.150 1.00 0.00 H +HETATM 565 C1 HMW A 48 5.321 16.023 21.888 1.00 0.00 C +HETATM 566 C2 HMW A 48 3.943 15.486 21.471 1.00 0.00 C +HETATM 567 C3 HMW A 48 4.037 14.070 20.888 1.00 0.00 C +HETATM 568 O1 HMW A 48 4.825 14.080 19.702 1.00 0.00 O +HETATM 569 H1 HMW A 48 5.761 15.383 22.654 1.00 0.00 H +HETATM 570 H2 HMW A 48 5.999 16.059 21.035 1.00 0.00 H +HETATM 571 H3 HMW A 48 5.223 17.031 22.290 1.00 0.00 H +HETATM 572 H4 HMW A 48 3.287 15.469 22.341 1.00 0.00 H +HETATM 573 H5 HMW A 48 3.490 16.155 20.738 1.00 0.00 H +HETATM 574 H6 HMW A 48 3.037 13.701 20.659 1.00 0.00 H +HETATM 575 H7 HMW A 48 4.480 13.394 21.620 1.00 0.00 H +HETATM 576 H8 HMW A 48 4.434 14.654 19.008 1.00 0.00 H +HETATM 577 C1 HMW A 49 4.306 21.040 10.318 1.00 0.00 C +HETATM 578 C2 HMW A 49 4.538 20.514 8.891 1.00 0.00 C +HETATM 579 C3 HMW A 49 5.978 20.766 8.427 1.00 0.00 C +HETATM 580 O1 HMW A 49 6.188 22.159 8.187 1.00 0.00 O +HETATM 581 H1 HMW A 49 4.970 20.543 11.024 1.00 0.00 H +HETATM 582 H2 HMW A 49 4.494 22.113 10.365 1.00 0.00 H +HETATM 583 H3 HMW A 49 3.276 20.860 10.625 1.00 0.00 H +HETATM 584 H4 HMW A 49 4.342 19.442 8.875 1.00 0.00 H +HETATM 585 H5 HMW A 49 3.839 20.985 8.200 1.00 0.00 H +HETATM 586 H6 HMW A 49 6.177 20.213 7.508 1.00 0.00 H +HETATM 587 H7 HMW A 49 6.679 20.401 9.178 1.00 0.00 H +HETATM 588 H8 HMW A 49 5.731 22.454 7.371 1.00 0.00 H +HETATM 589 C1 HMW A 50 21.428 15.678 8.867 1.00 0.00 C +HETATM 590 C2 HMW A 50 22.340 14.521 8.423 1.00 0.00 C +HETATM 591 C3 HMW A 50 23.210 13.993 9.573 1.00 0.00 C +HETATM 592 O1 HMW A 50 24.048 15.033 10.075 1.00 0.00 O +HETATM 593 H1 HMW A 50 20.784 15.366 9.689 1.00 0.00 H +HETATM 594 H2 HMW A 50 22.019 16.535 9.191 1.00 0.00 H +HETATM 595 H3 HMW A 50 20.794 15.996 8.038 1.00 0.00 H +HETATM 596 H4 HMW A 50 21.722 13.710 8.037 1.00 0.00 H +HETATM 597 H5 HMW A 50 22.980 14.851 7.605 1.00 0.00 H +HETATM 598 H6 HMW A 50 23.823 13.165 9.217 1.00 0.00 H +HETATM 599 H7 HMW A 50 22.579 13.608 10.374 1.00 0.00 H +HETATM 600 H8 HMW A 50 24.615 15.416 9.372 1.00 0.00 H +HETATM 601 C1 HMW A 51 10.697 27.038 4.518 1.00 0.00 C +HETATM 602 C2 HMW A 51 12.223 27.015 4.713 1.00 0.00 C +HETATM 603 C3 HMW A 51 12.965 26.551 3.451 1.00 0.00 C +HETATM 604 O1 HMW A 51 12.578 25.225 3.108 1.00 0.00 O +HETATM 605 H1 HMW A 51 10.428 27.670 3.671 1.00 0.00 H +HETATM 606 H2 HMW A 51 10.316 26.033 4.338 1.00 0.00 H +HETATM 607 H3 HMW A 51 10.210 27.430 5.411 1.00 0.00 H +HETATM 608 H4 HMW A 51 12.565 28.015 4.979 1.00 0.00 H +HETATM 609 H5 HMW A 51 12.475 26.355 5.544 1.00 0.00 H +HETATM 610 H6 HMW A 51 14.040 26.583 3.631 1.00 0.00 H +HETATM 611 H7 HMW A 51 12.750 27.225 2.622 1.00 0.00 H +HETATM 612 H8 HMW A 51 12.668 24.611 3.868 1.00 0.00 H +HETATM 613 C1 HMW A 52 5.146 3.129 19.020 1.00 0.00 C +HETATM 614 C2 HMW A 52 5.294 4.624 19.343 1.00 0.00 C +HETATM 615 C3 HMW A 52 6.769 5.049 19.403 1.00 0.00 C +HETATM 616 O1 HMW A 52 7.421 4.438 20.511 1.00 0.00 O +HETATM 617 H1 HMW A 52 5.595 2.902 18.053 1.00 0.00 H +HETATM 618 H2 HMW A 52 5.636 2.519 19.780 1.00 0.00 H +HETATM 619 H3 HMW A 52 4.092 2.854 18.984 1.00 0.00 H +HETATM 620 H4 HMW A 52 4.785 5.205 18.573 1.00 0.00 H +HETATM 621 H5 HMW A 52 4.806 4.850 20.292 1.00 0.00 H +HETATM 622 H6 HMW A 52 6.834 6.133 19.500 1.00 0.00 H +HETATM 623 H7 HMW A 52 7.274 4.770 18.478 1.00 0.00 H +HETATM 624 H8 HMW A 52 7.022 4.710 21.364 1.00 0.00 H +HETATM 625 C1 HMW A 53 27.821 2.735 9.255 1.00 0.00 C +HETATM 626 C2 HMW A 53 27.095 3.587 10.308 1.00 0.00 C +HETATM 627 C3 HMW A 53 26.884 5.031 9.832 1.00 0.00 C +HETATM 628 O1 HMW A 53 28.138 5.675 9.615 1.00 0.00 O +HETATM 629 H1 HMW A 53 27.262 2.725 8.319 1.00 0.00 H +HETATM 630 H2 HMW A 53 28.819 3.130 9.062 1.00 0.00 H +HETATM 631 H3 HMW A 53 27.922 1.708 9.607 1.00 0.00 H +HETATM 632 H4 HMW A 53 26.124 3.138 10.518 1.00 0.00 H +HETATM 633 H5 HMW A 53 27.663 3.586 11.239 1.00 0.00 H +HETATM 634 H6 HMW A 53 26.315 5.583 10.580 1.00 0.00 H +HETATM 635 H7 HMW A 53 26.303 5.033 8.910 1.00 0.00 H +HETATM 636 H8 HMW A 53 28.667 5.736 10.439 1.00 0.00 H +HETATM 637 C1 HMW A 54 14.377 16.249 6.178 1.00 0.00 C +HETATM 638 C2 HMW A 54 13.829 16.889 7.466 1.00 0.00 C +HETATM 639 C3 HMW A 54 12.360 16.512 7.705 1.00 0.00 C +HETATM 640 O1 HMW A 54 11.533 17.049 6.674 1.00 0.00 O +HETATM 641 H1 HMW A 54 14.251 15.167 6.203 1.00 0.00 H +HETATM 642 H2 HMW A 54 13.855 16.635 5.302 1.00 0.00 H +HETATM 643 H3 HMW A 54 15.439 16.471 6.067 1.00 0.00 H +HETATM 644 H4 HMW A 54 14.424 16.546 8.313 1.00 0.00 H +HETATM 645 H5 HMW A 54 13.932 17.973 7.416 1.00 0.00 H +HETATM 646 H6 HMW A 54 12.036 16.893 8.674 1.00 0.00 H +HETATM 647 H7 HMW A 54 12.258 15.427 7.732 1.00 0.00 H +HETATM 648 H8 HMW A 54 11.527 18.030 6.673 1.00 0.00 H +HETATM 649 C1 HMW A 55 12.501 6.471 8.314 1.00 0.00 C +HETATM 650 C2 HMW A 55 12.783 7.289 7.046 1.00 0.00 C +HETATM 651 C3 HMW A 55 11.800 6.947 5.914 1.00 0.00 C +HETATM 652 O1 HMW A 55 11.936 5.584 5.517 1.00 0.00 O +HETATM 653 H1 HMW A 55 11.482 6.641 8.662 1.00 0.00 H +HETATM 654 H2 HMW A 55 12.630 5.407 8.116 1.00 0.00 H +HETATM 655 H3 HMW A 55 13.190 6.757 9.109 1.00 0.00 H +HETATM 656 H4 HMW A 55 12.701 8.351 7.279 1.00 0.00 H +HETATM 657 H5 HMW A 55 13.805 7.107 6.713 1.00 0.00 H +HETATM 658 H6 HMW A 55 11.991 7.596 5.059 1.00 0.00 H +HETATM 659 H7 HMW A 55 10.777 7.134 6.242 1.00 0.00 H +HETATM 660 H8 HMW A 55 12.848 5.375 5.221 1.00 0.00 H +HETATM 661 C1 HMW A 56 12.431 19.027 3.927 1.00 0.00 C +HETATM 662 C2 HMW A 56 13.296 19.262 2.678 1.00 0.00 C +HETATM 663 C3 HMW A 56 14.774 18.923 2.926 1.00 0.00 C +HETATM 664 O1 HMW A 56 15.356 19.906 3.779 1.00 0.00 O +HETATM 665 H1 HMW A 56 12.406 17.965 4.171 1.00 0.00 H +HETATM 666 H2 HMW A 56 12.828 19.568 4.786 1.00 0.00 H +HETATM 667 H3 HMW A 56 11.409 19.359 3.747 1.00 0.00 H +HETATM 668 H4 HMW A 56 12.917 18.648 1.860 1.00 0.00 H +HETATM 669 H5 HMW A 56 13.211 20.304 2.367 1.00 0.00 H +HETATM 670 H6 HMW A 56 15.310 18.913 1.977 1.00 0.00 H +HETATM 671 H7 HMW A 56 14.865 17.930 3.368 1.00 0.00 H +HETATM 672 H8 HMW A 56 16.308 19.734 3.942 1.00 0.00 H +HETATM 673 C1 HMW A 57 5.802 21.505 2.304 1.00 0.00 C +HETATM 674 C2 HMW A 57 5.536 20.396 1.274 1.00 0.00 C +HETATM 675 C3 HMW A 57 5.793 20.875 -0.164 1.00 0.00 C +HETATM 676 O1 HMW A 57 4.888 21.920 -0.515 1.00 0.00 O +HETATM 677 H1 HMW A 57 6.823 21.874 2.213 1.00 0.00 H +HETATM 678 H2 HMW A 57 5.110 22.336 2.164 1.00 0.00 H +HETATM 679 H3 HMW A 57 5.668 21.118 3.315 1.00 0.00 H +HETATM 680 H4 HMW A 57 6.190 19.550 1.488 1.00 0.00 H +HETATM 681 H5 HMW A 57 4.510 20.042 1.369 1.00 0.00 H +HETATM 682 H6 HMW A 57 5.667 20.038 -0.850 1.00 0.00 H +HETATM 683 H7 HMW A 57 6.820 21.228 -0.262 1.00 0.00 H +HETATM 684 H8 HMW A 57 3.952 21.647 -0.402 1.00 0.00 H +HETATM 685 C1 HMW A 58 1.547 12.381 22.857 1.00 0.00 C +HETATM 686 C2 HMW A 58 1.159 11.312 23.890 1.00 0.00 C +HETATM 687 C3 HMW A 58 1.130 11.883 25.315 1.00 0.00 C +HETATM 688 O1 HMW A 58 2.418 12.380 25.679 1.00 0.00 O +HETATM 689 H1 HMW A 58 0.849 13.218 22.895 1.00 0.00 H +HETATM 690 H2 HMW A 58 2.552 12.754 23.053 1.00 0.00 H +HETATM 691 H3 HMW A 58 1.522 11.960 21.852 1.00 0.00 H +HETATM 692 H4 HMW A 58 0.171 10.922 23.643 1.00 0.00 H +HETATM 693 H5 HMW A 58 1.856 10.475 23.842 1.00 0.00 H +HETATM 694 H6 HMW A 58 0.825 11.104 26.014 1.00 0.00 H +HETATM 695 H7 HMW A 58 0.394 12.685 25.375 1.00 0.00 H +HETATM 696 H8 HMW A 58 3.089 11.664 25.692 1.00 0.00 H +HETATM 697 C1 HMW A 59 15.049 17.622 12.537 1.00 0.00 C +HETATM 698 C2 HMW A 59 16.369 17.841 11.776 1.00 0.00 C +HETATM 699 C3 HMW A 59 17.055 16.512 11.423 1.00 0.00 C +HETATM 700 O1 HMW A 59 17.425 15.812 12.614 1.00 0.00 O +HETATM 701 H1 HMW A 59 14.364 17.013 11.947 1.00 0.00 H +HETATM 702 H2 HMW A 59 15.230 17.123 13.490 1.00 0.00 H +HETATM 703 H3 HMW A 59 14.569 18.579 12.740 1.00 0.00 H +HETATM 704 H4 HMW A 59 16.161 18.386 10.856 1.00 0.00 H +HETATM 705 H5 HMW A 59 17.043 18.458 12.372 1.00 0.00 H +HETATM 706 H6 HMW A 59 17.946 16.707 10.825 1.00 0.00 H +HETATM 707 H7 HMW A 59 16.386 15.900 10.819 1.00 0.00 H +HETATM 708 H8 HMW A 59 18.077 16.319 13.143 1.00 0.00 H +HETATM 709 C1 HMW A 60 28.750 5.921 17.330 1.00 0.00 C +HETATM 710 C2 HMW A 60 27.500 6.819 17.318 1.00 0.00 C +HETATM 711 C3 HMW A 60 27.863 8.309 17.297 1.00 0.00 C +HETATM 712 O1 HMW A 60 28.580 8.651 18.481 1.00 0.00 O +HETATM 713 H1 HMW A 60 29.378 6.129 16.464 1.00 0.00 H +HETATM 714 H2 HMW A 60 29.335 6.088 18.234 1.00 0.00 H +HETATM 715 H3 HMW A 60 28.458 4.871 17.301 1.00 0.00 H +HETATM 716 H4 HMW A 60 26.901 6.586 16.438 1.00 0.00 H +HETATM 717 H5 HMW A 60 26.888 6.607 18.194 1.00 0.00 H +HETATM 718 H6 HMW A 60 26.952 8.905 17.238 1.00 0.00 H +HETATM 719 H7 HMW A 60 28.466 8.535 16.417 1.00 0.00 H +HETATM 720 H8 HMW A 60 28.101 8.360 19.287 1.00 0.00 H +HETATM 721 C1 HMW A 61 13.131 2.071 23.584 1.00 0.00 C +HETATM 722 C2 HMW A 61 12.505 0.786 24.156 1.00 0.00 C +HETATM 723 C3 HMW A 61 11.024 0.982 24.518 1.00 0.00 C +HETATM 724 O1 HMW A 61 10.889 1.965 25.539 1.00 0.00 O +HETATM 725 H1 HMW A 61 12.588 2.401 22.699 1.00 0.00 H +HETATM 726 H2 HMW A 61 13.106 2.870 24.326 1.00 0.00 H +HETATM 727 H3 HMW A 61 14.170 1.891 23.308 1.00 0.00 H +HETATM 728 H4 HMW A 61 12.589 -0.013 23.419 1.00 0.00 H +HETATM 729 H5 HMW A 61 13.058 0.471 25.041 1.00 0.00 H +HETATM 730 H6 HMW A 61 10.604 0.038 24.864 1.00 0.00 H +HETATM 731 H7 HMW A 61 10.463 1.287 23.634 1.00 0.00 H +HETATM 732 H8 HMW A 61 11.360 1.709 26.360 1.00 0.00 H +HETATM 733 C1 HMW A 62 20.929 10.691 8.166 1.00 0.00 C +HETATM 734 C2 HMW A 62 22.140 10.594 7.227 1.00 0.00 C +HETATM 735 C3 HMW A 62 22.048 9.392 6.275 1.00 0.00 C +HETATM 736 O1 HMW A 62 22.157 8.173 7.008 1.00 0.00 O +HETATM 737 H1 HMW A 62 20.016 10.856 7.593 1.00 0.00 H +HETATM 738 H2 HMW A 62 20.822 9.779 8.754 1.00 0.00 H +HETATM 739 H3 HMW A 62 21.051 11.527 8.855 1.00 0.00 H +HETATM 740 H4 HMW A 62 22.214 11.511 6.641 1.00 0.00 H +HETATM 741 H5 HMW A 62 23.048 10.510 7.824 1.00 0.00 H +HETATM 742 H6 HMW A 62 22.855 9.444 5.544 1.00 0.00 H +HETATM 743 H7 HMW A 62 21.106 9.418 5.727 1.00 0.00 H +HETATM 744 H8 HMW A 62 23.065 8.060 7.361 1.00 0.00 H +HETATM 745 C1 HMW A 63 24.067 6.348 3.214 1.00 0.00 C +HETATM 746 C2 HMW A 63 23.989 7.410 2.104 1.00 0.00 C +HETATM 747 C3 HMW A 63 22.805 8.363 2.314 1.00 0.00 C +HETATM 748 O1 HMW A 63 21.583 7.633 2.337 1.00 0.00 O +HETATM 749 H1 HMW A 63 24.096 6.820 4.196 1.00 0.00 H +HETATM 750 H2 HMW A 63 23.200 5.689 3.172 1.00 0.00 H +HETATM 751 H3 HMW A 63 24.964 5.740 3.091 1.00 0.00 H +HETATM 752 H4 HMW A 63 24.914 7.988 2.093 1.00 0.00 H +HETATM 753 H5 HMW A 63 23.901 6.922 1.133 1.00 0.00 H +HETATM 754 H6 HMW A 63 22.777 9.100 1.512 1.00 0.00 H +HETATM 755 H7 HMW A 63 22.928 8.902 3.254 1.00 0.00 H +HETATM 756 H8 HMW A 63 21.402 7.198 1.476 1.00 0.00 H +HETATM 757 C1 HMW A 64 15.667 4.613 9.044 1.00 0.00 C +HETATM 758 C2 HMW A 64 17.128 4.892 9.424 1.00 0.00 C +HETATM 759 C3 HMW A 64 18.100 4.590 8.277 1.00 0.00 C +HETATM 760 O1 HMW A 64 18.155 3.184 8.046 1.00 0.00 O +HETATM 761 H1 HMW A 64 15.365 5.247 8.209 1.00 0.00 H +HETATM 762 H2 HMW A 64 15.534 3.568 8.764 1.00 0.00 H +HETATM 763 H3 HMW A 64 15.013 4.828 9.888 1.00 0.00 H +HETATM 764 H4 HMW A 64 17.227 5.940 9.710 1.00 0.00 H +HETATM 765 H5 HMW A 64 17.400 4.291 10.291 1.00 0.00 H +HETATM 766 H6 HMW A 64 19.091 4.956 8.546 1.00 0.00 H +HETATM 767 H7 HMW A 64 17.795 5.106 7.366 1.00 0.00 H +HETATM 768 H8 HMW A 64 18.327 2.688 8.875 1.00 0.00 H +HETATM 769 C1 HMW A 65 22.371 22.922 11.846 1.00 0.00 C +HETATM 770 C2 HMW A 65 20.869 22.610 11.959 1.00 0.00 C +HETATM 771 C3 HMW A 65 20.579 21.509 12.993 1.00 0.00 C +HETATM 772 O1 HMW A 65 21.178 20.280 12.588 1.00 0.00 O +HETATM 773 H1 HMW A 65 22.763 23.272 12.801 1.00 0.00 H +HETATM 774 H2 HMW A 65 22.929 22.037 11.539 1.00 0.00 H +HETATM 775 H3 HMW A 65 22.537 23.703 11.104 1.00 0.00 H +HETATM 776 H4 HMW A 65 20.339 23.518 12.248 1.00 0.00 H +HETATM 777 H5 HMW A 65 20.483 22.308 10.986 1.00 0.00 H +HETATM 778 H6 HMW A 65 19.502 21.375 13.086 1.00 0.00 H +HETATM 779 H7 HMW A 65 20.959 21.804 13.971 1.00 0.00 H +HETATM 780 H8 HMW A 65 20.962 20.061 11.656 1.00 0.00 H +HETATM 781 C1 HMW A 66 1.438 9.152 20.750 1.00 0.00 C +HETATM 782 C2 HMW A 66 1.429 7.625 20.914 1.00 0.00 C +HETATM 783 C3 HMW A 66 1.220 7.206 22.377 1.00 0.00 C +HETATM 784 O1 HMW A 66 2.261 7.735 23.199 1.00 0.00 O +HETATM 785 H1 HMW A 66 0.483 9.574 21.065 1.00 0.00 H +HETATM 786 H2 HMW A 66 2.230 9.600 21.350 1.00 0.00 H +HETATM 787 H3 HMW A 66 1.609 9.417 19.707 1.00 0.00 H +HETATM 788 H4 HMW A 66 0.632 7.202 20.303 1.00 0.00 H +HETATM 789 H5 HMW A 66 2.370 7.211 20.550 1.00 0.00 H +HETATM 790 H6 HMW A 66 1.218 6.118 22.445 1.00 0.00 H +HETATM 791 H7 HMW A 66 0.252 7.558 22.731 1.00 0.00 H +HETATM 792 H8 HMW A 66 3.149 7.516 22.846 1.00 0.00 H +HETATM 793 C1 HMW A 67 5.452 26.874 13.536 1.00 0.00 C +HETATM 794 C2 HMW A 67 5.126 26.260 14.908 1.00 0.00 C +HETATM 795 C3 HMW A 67 4.822 24.759 14.805 1.00 0.00 C +HETATM 796 O1 HMW A 67 3.658 24.542 14.008 1.00 0.00 O +HETATM 797 H1 HMW A 67 6.290 26.353 13.072 1.00 0.00 H +HETATM 798 H2 HMW A 67 4.590 26.813 12.871 1.00 0.00 H +HETATM 799 H3 HMW A 67 5.721 27.925 13.649 1.00 0.00 H +HETATM 800 H4 HMW A 67 5.977 26.404 15.574 1.00 0.00 H +HETATM 801 H5 HMW A 67 4.276 26.778 15.352 1.00 0.00 H +HETATM 802 H6 HMW A 67 4.665 24.348 15.803 1.00 0.00 H +HETATM 803 H7 HMW A 67 5.674 24.239 14.366 1.00 0.00 H +HETATM 804 H8 HMW A 67 2.857 24.936 14.416 1.00 0.00 H +HETATM 805 C1 HMW A 68 19.666 12.514 1.437 1.00 0.00 C +HETATM 806 C2 HMW A 68 20.212 11.398 2.344 1.00 0.00 C +HETATM 807 C3 HMW A 68 19.508 11.368 3.709 1.00 0.00 C +HETATM 808 O1 HMW A 68 19.765 12.573 4.431 1.00 0.00 O +HETATM 809 H1 HMW A 68 18.594 12.388 1.283 1.00 0.00 H +HETATM 810 H2 HMW A 68 19.840 13.495 1.879 1.00 0.00 H +HETATM 811 H3 HMW A 68 20.153 12.480 0.463 1.00 0.00 H +HETATM 812 H4 HMW A 68 20.071 10.437 1.851 1.00 0.00 H +HETATM 813 H5 HMW A 68 21.285 11.523 2.490 1.00 0.00 H +HETATM 814 H6 HMW A 68 19.877 10.518 4.283 1.00 0.00 H +HETATM 815 H7 HMW A 68 18.435 11.230 3.578 1.00 0.00 H +HETATM 816 H8 HMW A 68 20.708 12.837 4.380 1.00 0.00 H +HETATM 817 C1 HMW A 69 18.984 19.452 9.179 1.00 0.00 C +HETATM 818 C2 HMW A 69 18.340 19.336 7.785 1.00 0.00 C +HETATM 819 C3 HMW A 69 17.004 18.583 7.831 1.00 0.00 C +HETATM 820 O1 HMW A 69 17.209 17.245 8.279 1.00 0.00 O +HETATM 821 H1 HMW A 69 18.302 19.940 9.875 1.00 0.00 H +HETATM 822 H2 HMW A 69 19.235 18.465 9.568 1.00 0.00 H +HETATM 823 H3 HMW A 69 19.899 20.042 9.122 1.00 0.00 H +HETATM 824 H4 HMW A 69 18.167 20.336 7.386 1.00 0.00 H +HETATM 825 H5 HMW A 69 19.022 18.827 7.105 1.00 0.00 H +HETATM 826 H6 HMW A 69 16.554 18.573 6.838 1.00 0.00 H +HETATM 827 H7 HMW A 69 16.313 19.096 8.500 1.00 0.00 H +HETATM 828 H8 HMW A 69 17.686 16.707 7.611 1.00 0.00 H +HETATM 829 C1 HMW A 70 19.603 19.566 17.464 1.00 0.00 C +HETATM 830 C2 HMW A 70 20.499 19.250 16.255 1.00 0.00 C +HETATM 831 C3 HMW A 70 21.510 18.132 16.557 1.00 0.00 C +HETATM 832 O1 HMW A 70 22.435 18.565 17.556 1.00 0.00 O +HETATM 833 H1 HMW A 70 19.018 18.690 17.745 1.00 0.00 H +HETATM 834 H2 HMW A 70 20.200 19.878 18.321 1.00 0.00 H +HETATM 835 H3 HMW A 70 18.911 20.372 17.219 1.00 0.00 H +HETATM 836 H4 HMW A 70 19.872 18.946 15.416 1.00 0.00 H +HETATM 837 H5 HMW A 70 21.030 20.151 15.947 1.00 0.00 H +HETATM 838 H6 HMW A 70 22.053 17.879 15.647 1.00 0.00 H +HETATM 839 H7 HMW A 70 20.992 17.232 16.890 1.00 0.00 H +HETATM 840 H8 HMW A 70 22.796 19.453 17.350 1.00 0.00 H +HETATM 841 C1 HMW A 71 14.164 18.713 16.927 1.00 0.00 C +HETATM 842 C2 HMW A 71 13.285 18.942 18.168 1.00 0.00 C +HETATM 843 C3 HMW A 71 12.443 17.702 18.500 1.00 0.00 C +HETATM 844 O1 HMW A 71 11.423 17.526 17.520 1.00 0.00 O +HETATM 845 H1 HMW A 71 14.845 17.878 17.092 1.00 0.00 H +HETATM 846 H2 HMW A 71 13.549 18.493 16.054 1.00 0.00 H +HETATM 847 H3 HMW A 71 14.755 19.604 16.716 1.00 0.00 H +HETATM 848 H4 HMW A 71 13.928 19.177 19.016 1.00 0.00 H +HETATM 849 H5 HMW A 71 12.632 19.801 18.011 1.00 0.00 H +HETATM 850 H6 HMW A 71 11.981 17.830 19.479 1.00 0.00 H +HETATM 851 H7 HMW A 71 13.078 16.818 18.547 1.00 0.00 H +HETATM 852 H8 HMW A 71 10.753 18.242 17.566 1.00 0.00 H +HETATM 853 C1 HMW A 72 2.295 7.382 17.323 1.00 0.00 C +HETATM 854 C2 HMW A 72 3.114 8.371 16.475 1.00 0.00 C +HETATM 855 C3 HMW A 72 4.346 7.695 15.858 1.00 0.00 C +HETATM 856 O1 HMW A 72 5.346 7.431 16.852 1.00 0.00 O +HETATM 857 H1 HMW A 72 1.957 6.546 16.712 1.00 0.00 H +HETATM 858 H2 HMW A 72 2.894 6.989 18.145 1.00 0.00 H +HETATM 859 H3 HMW A 72 1.417 7.877 17.738 1.00 0.00 H +HETATM 860 H4 HMW A 72 2.481 8.749 15.672 1.00 0.00 H +HETATM 861 H5 HMW A 72 3.418 9.227 17.078 1.00 0.00 H +HETATM 862 H6 HMW A 72 4.766 8.341 15.087 1.00 0.00 H +HETATM 863 H7 HMW A 72 4.049 6.767 15.370 1.00 0.00 H +HETATM 864 H8 HMW A 72 5.988 6.763 16.530 1.00 0.00 H +HETATM 865 C1 HMW A 73 7.204 1.183 24.498 1.00 0.00 C +HETATM 866 C2 HMW A 73 6.047 0.736 23.587 1.00 0.00 C +HETATM 867 C3 HMW A 73 5.511 1.899 22.739 1.00 0.00 C +HETATM 868 O1 HMW A 73 4.956 2.913 23.581 1.00 0.00 O +HETATM 869 H1 HMW A 73 8.016 1.603 23.905 1.00 0.00 H +HETATM 870 H2 HMW A 73 6.868 1.937 25.210 1.00 0.00 H +HETATM 871 H3 HMW A 73 7.593 0.332 25.058 1.00 0.00 H +HETATM 872 H4 HMW A 73 6.400 -0.053 22.924 1.00 0.00 H +HETATM 873 H5 HMW A 73 5.241 0.316 24.190 1.00 0.00 H +HETATM 874 H6 HMW A 73 4.747 1.533 22.054 1.00 0.00 H +HETATM 875 H7 HMW A 73 6.318 2.317 22.136 1.00 0.00 H +HETATM 876 H8 HMW A 73 4.199 2.575 24.105 1.00 0.00 H +HETATM 877 C1 HMW A 74 28.044 11.565 15.053 1.00 0.00 C +HETATM 878 C2 HMW A 74 26.523 11.376 14.931 1.00 0.00 C +HETATM 879 C3 HMW A 74 25.945 12.143 13.733 1.00 0.00 C +HETATM 880 O1 HMW A 74 26.158 13.550 13.876 1.00 0.00 O +HETATM 881 H1 HMW A 74 28.548 11.197 14.159 1.00 0.00 H +HETATM 882 H2 HMW A 74 28.295 12.618 15.184 1.00 0.00 H +HETATM 883 H3 HMW A 74 28.424 11.016 15.915 1.00 0.00 H +HETATM 884 H4 HMW A 74 26.305 10.314 14.815 1.00 0.00 H +HETATM 885 H5 HMW A 74 26.032 11.702 15.849 1.00 0.00 H +HETATM 886 H6 HMW A 74 24.878 11.939 13.646 1.00 0.00 H +HETATM 887 H7 HMW A 74 26.418 11.796 12.814 1.00 0.00 H +HETATM 888 H8 HMW A 74 25.634 13.933 14.612 1.00 0.00 H +HETATM 889 C1 HMW A 75 10.393 21.760 0.866 1.00 0.00 C +HETATM 890 C2 HMW A 75 10.492 22.273 2.312 1.00 0.00 C +HETATM 891 C3 HMW A 75 9.690 23.568 2.503 1.00 0.00 C +HETATM 892 O1 HMW A 75 10.295 24.643 1.787 1.00 0.00 O +HETATM 893 H1 HMW A 75 9.353 21.567 0.601 1.00 0.00 H +HETATM 894 H2 HMW A 75 10.797 22.495 0.169 1.00 0.00 H +HETATM 895 H3 HMW A 75 10.953 20.832 0.757 1.00 0.00 H +HETATM 896 H4 HMW A 75 10.102 21.511 2.987 1.00 0.00 H +HETATM 897 H5 HMW A 75 11.535 22.441 2.579 1.00 0.00 H +HETATM 898 H6 HMW A 75 9.646 23.817 3.563 1.00 0.00 H +HETATM 899 H7 HMW A 75 8.667 23.423 2.154 1.00 0.00 H +HETATM 900 H8 HMW A 75 11.174 24.873 2.156 1.00 0.00 H +HETATM 901 C1 HMW A 76 18.950 18.690 1.561 1.00 0.00 C +HETATM 902 C2 HMW A 76 19.510 18.221 2.914 1.00 0.00 C +HETATM 903 C3 HMW A 76 18.431 18.223 4.007 1.00 0.00 C +HETATM 904 O1 HMW A 76 17.964 19.552 4.239 1.00 0.00 O +HETATM 905 H1 HMW A 76 18.113 18.060 1.259 1.00 0.00 H +HETATM 906 H2 HMW A 76 18.605 19.723 1.621 1.00 0.00 H +HETATM 907 H3 HMW A 76 19.722 18.629 0.794 1.00 0.00 H +HETATM 908 H4 HMW A 76 19.900 17.209 2.805 1.00 0.00 H +HETATM 909 H5 HMW A 76 20.340 18.860 3.214 1.00 0.00 H +HETATM 910 H6 HMW A 76 18.849 17.818 4.928 1.00 0.00 H +HETATM 911 H7 HMW A 76 17.601 17.581 3.713 1.00 0.00 H +HETATM 912 H8 HMW A 76 18.686 20.143 4.541 1.00 0.00 H +HETATM 913 C1 HMW A 77 23.792 26.703 3.551 1.00 0.00 C +HETATM 914 C2 HMW A 77 22.419 27.285 3.933 1.00 0.00 C +HETATM 915 C3 HMW A 77 21.421 26.186 4.333 1.00 0.00 C +HETATM 916 O1 HMW A 77 21.198 25.301 3.232 1.00 0.00 O +HETATM 917 H1 HMW A 77 24.207 26.129 4.380 1.00 0.00 H +HETATM 918 H2 HMW A 77 23.709 26.052 2.681 1.00 0.00 H +HETATM 919 H3 HMW A 77 24.486 27.508 3.310 1.00 0.00 H +HETATM 920 H4 HMW A 77 22.546 27.973 4.768 1.00 0.00 H +HETATM 921 H5 HMW A 77 22.018 27.861 3.099 1.00 0.00 H +HETATM 922 H6 HMW A 77 20.478 26.640 4.638 1.00 0.00 H +HETATM 923 H7 HMW A 77 21.807 25.629 5.188 1.00 0.00 H +HETATM 924 H8 HMW A 77 20.836 25.779 2.455 1.00 0.00 H +HETATM 925 C1 HMW A 78 25.061 7.865 22.735 1.00 0.00 C +HETATM 926 C2 HMW A 78 25.320 9.090 21.842 1.00 0.00 C +HETATM 927 C3 HMW A 78 25.958 8.706 20.496 1.00 0.00 C +HETATM 928 O1 HMW A 78 27.178 7.995 20.700 1.00 0.00 O +HETATM 929 H1 HMW A 78 24.457 7.124 22.211 1.00 0.00 H +HETATM 930 H2 HMW A 78 26.003 7.401 23.028 1.00 0.00 H +HETATM 931 H3 HMW A 78 24.535 8.165 23.642 1.00 0.00 H +HETATM 932 H4 HMW A 78 24.380 9.609 21.653 1.00 0.00 H +HETATM 933 H5 HMW A 78 25.967 9.793 22.366 1.00 0.00 H +HETATM 934 H6 HMW A 78 26.152 9.609 19.918 1.00 0.00 H +HETATM 935 H7 HMW A 78 25.269 8.089 19.918 1.00 0.00 H +HETATM 936 H8 HMW A 78 27.728 8.415 21.396 1.00 0.00 H +HETATM 937 C1 HMW A 79 23.138 12.372 16.683 1.00 0.00 C +HETATM 938 C2 HMW A 79 22.541 13.729 16.273 1.00 0.00 C +HETATM 939 C3 HMW A 79 23.425 14.466 15.263 1.00 0.00 C +HETATM 940 O1 HMW A 79 24.693 14.768 15.850 1.00 0.00 O +HETATM 941 H1 HMW A 79 23.286 11.738 15.809 1.00 0.00 H +HETATM 942 H2 HMW A 79 24.094 12.507 17.190 1.00 0.00 H +HETATM 943 H3 HMW A 79 22.464 11.860 17.370 1.00 0.00 H +HETATM 944 H4 HMW A 79 21.561 13.569 15.824 1.00 0.00 H +HETATM 945 H5 HMW A 79 22.393 14.349 17.157 1.00 0.00 H +HETATM 946 H6 HMW A 79 22.934 15.391 14.960 1.00 0.00 H +HETATM 947 H7 HMW A 79 23.549 13.857 14.368 1.00 0.00 H +HETATM 948 H8 HMW A 79 24.592 15.434 16.564 1.00 0.00 H +HETATM 949 C1 HMW A 80 6.478 13.196 9.628 1.00 0.00 C +HETATM 950 C2 HMW A 80 7.773 12.409 9.364 1.00 0.00 C +HETATM 951 C3 HMW A 80 8.342 12.679 7.963 1.00 0.00 C +HETATM 952 O1 HMW A 80 7.378 12.353 6.957 1.00 0.00 O +HETATM 953 H1 HMW A 80 6.645 14.263 9.479 1.00 0.00 H +HETATM 954 H2 HMW A 80 5.684 12.873 8.954 1.00 0.00 H +HETATM 955 H3 HMW A 80 6.139 13.039 10.652 1.00 0.00 H +HETATM 956 H4 HMW A 80 8.525 12.695 10.099 1.00 0.00 H +HETATM 957 H5 HMW A 80 7.585 11.342 9.487 1.00 0.00 H +HETATM 958 H6 HMW A 80 9.244 12.086 7.815 1.00 0.00 H +HETATM 959 H7 HMW A 80 8.628 13.728 7.881 1.00 0.00 H +HETATM 960 H8 HMW A 80 7.084 11.419 7.026 1.00 0.00 H +HETATM 961 C1 HMW A 81 24.767 2.428 28.935 1.00 0.00 C +HETATM 962 C2 HMW A 81 24.163 1.373 27.993 1.00 0.00 C +HETATM 963 C3 HMW A 81 23.333 2.019 26.876 1.00 0.00 C +HETATM 964 O1 HMW A 81 22.191 2.680 27.429 1.00 0.00 O +HETATM 965 H1 HMW A 81 25.396 3.122 28.376 1.00 0.00 H +HETATM 966 H2 HMW A 81 23.983 2.996 29.436 1.00 0.00 H +HETATM 967 H3 HMW A 81 25.381 1.946 29.696 1.00 0.00 H +HETATM 968 H4 HMW A 81 24.970 0.795 27.543 1.00 0.00 H +HETATM 969 H5 HMW A 81 23.544 0.678 28.560 1.00 0.00 H +HETATM 970 H6 HMW A 81 23.009 1.253 26.171 1.00 0.00 H +HETATM 971 H7 HMW A 81 23.946 2.733 26.326 1.00 0.00 H +HETATM 972 H8 HMW A 81 21.603 2.049 27.897 1.00 0.00 H +HETATM 973 C1 HMW A 82 14.744 9.878 9.711 1.00 0.00 C +HETATM 974 C2 HMW A 82 15.581 8.889 10.541 1.00 0.00 C +HETATM 975 C3 HMW A 82 14.881 8.515 11.857 1.00 0.00 C +HETATM 976 O1 HMW A 82 14.764 9.663 12.697 1.00 0.00 O +HETATM 977 H1 HMW A 82 13.781 9.437 9.453 1.00 0.00 H +HETATM 978 H2 HMW A 82 14.571 10.800 10.267 1.00 0.00 H +HETATM 979 H3 HMW A 82 15.263 10.128 8.786 1.00 0.00 H +HETATM 980 H4 HMW A 82 15.746 7.985 9.955 1.00 0.00 H +HETATM 981 H5 HMW A 82 16.559 9.320 10.756 1.00 0.00 H +HETATM 982 H6 HMW A 82 15.459 7.747 12.372 1.00 0.00 H +HETATM 983 H7 HMW A 82 13.895 8.100 11.650 1.00 0.00 H +HETATM 984 H8 HMW A 82 15.644 10.030 12.930 1.00 0.00 H +HETATM 985 C1 HMW A 83 22.651 19.349 20.928 1.00 0.00 C +HETATM 986 C2 HMW A 83 22.284 18.763 22.301 1.00 0.00 C +HETATM 987 C3 HMW A 83 21.429 19.740 23.118 1.00 0.00 C +HETATM 988 O1 HMW A 83 22.211 20.877 23.475 1.00 0.00 O +HETATM 989 H1 HMW A 83 21.751 19.574 20.356 1.00 0.00 H +HETATM 990 H2 HMW A 83 23.223 20.270 21.043 1.00 0.00 H +HETATM 991 H3 HMW A 83 23.252 18.637 20.362 1.00 0.00 H +HETATM 992 H4 HMW A 83 21.727 17.836 22.158 1.00 0.00 H +HETATM 993 H5 HMW A 83 23.190 18.513 22.854 1.00 0.00 H +HETATM 994 H6 HMW A 83 21.069 19.250 24.023 1.00 0.00 H +HETATM 995 H7 HMW A 83 20.556 20.046 22.542 1.00 0.00 H +HETATM 996 H8 HMW A 83 22.865 20.655 24.173 1.00 0.00 H +HETATM 997 C1 HMW A 84 25.711 4.289 23.065 1.00 0.00 C +HETATM 998 C2 HMW A 84 25.285 2.982 22.378 1.00 0.00 C +HETATM 999 C3 HMW A 84 24.599 2.015 23.355 1.00 0.00 C +HETATM 1000 O1 HMW A 84 25.508 1.645 24.390 1.00 0.00 O +HETATM 1001 H1 HMW A 84 24.847 4.789 23.504 1.00 0.00 H +HETATM 1002 H2 HMW A 84 26.436 4.093 23.855 1.00 0.00 H +HETATM 1003 H3 HMW A 84 26.170 4.961 22.340 1.00 0.00 H +HETATM 1004 H4 HMW A 84 24.597 3.215 21.565 1.00 0.00 H +HETATM 1005 H5 HMW A 84 26.158 2.499 21.941 1.00 0.00 H +HETATM 1006 H6 HMW A 84 24.268 1.125 22.820 1.00 0.00 H +HETATM 1007 H7 HMW A 84 23.715 2.486 23.786 1.00 0.00 H +HETATM 1008 H8 HMW A 84 26.326 1.240 24.031 1.00 0.00 H +HETATM 1009 C1 HMW A 85 21.553 24.227 17.127 1.00 0.00 C +HETATM 1010 C2 HMW A 85 22.297 24.658 15.850 1.00 0.00 C +HETATM 1011 C3 HMW A 85 23.345 25.745 16.147 1.00 0.00 C +HETATM 1012 O1 HMW A 85 22.710 26.975 16.505 1.00 0.00 O +HETATM 1013 H1 HMW A 85 22.256 23.854 17.871 1.00 0.00 H +HETATM 1014 H2 HMW A 85 21.008 25.069 17.554 1.00 0.00 H +HETATM 1015 H3 HMW A 85 20.839 23.435 16.898 1.00 0.00 H +HETATM 1016 H4 HMW A 85 22.795 23.789 15.421 1.00 0.00 H +HETATM 1017 H5 HMW A 85 21.584 25.019 15.108 1.00 0.00 H +HETATM 1018 H6 HMW A 85 23.974 25.901 15.270 1.00 0.00 H +HETATM 1019 H7 HMW A 85 23.994 25.412 16.957 1.00 0.00 H +HETATM 1020 H8 HMW A 85 22.446 27.490 15.713 1.00 0.00 H +HETATM 1021 C1 HMW A 86 11.984 20.297 9.421 1.00 0.00 C +HETATM 1022 C2 HMW A 86 13.446 20.320 9.890 1.00 0.00 C +HETATM 1023 C3 HMW A 86 13.704 21.438 10.911 1.00 0.00 C +HETATM 1024 O1 HMW A 86 13.364 22.710 10.352 1.00 0.00 O +HETATM 1025 H1 HMW A 86 11.308 20.208 10.271 1.00 0.00 H +HETATM 1026 H2 HMW A 86 11.740 21.208 8.874 1.00 0.00 H +HETATM 1027 H3 HMW A 86 11.820 19.447 8.758 1.00 0.00 H +HETATM 1028 H4 HMW A 86 13.689 19.360 10.346 1.00 0.00 H +HETATM 1029 H5 HMW A 86 14.105 20.443 9.031 1.00 0.00 H +HETATM 1030 H6 HMW A 86 14.757 21.430 11.195 1.00 0.00 H +HETATM 1031 H7 HMW A 86 13.119 21.260 11.813 1.00 0.00 H +HETATM 1032 H8 HMW A 86 13.739 22.822 9.453 1.00 0.00 H +HETATM 1033 C1 HMW A 87 22.571 9.204 19.063 1.00 0.00 C +HETATM 1034 C2 HMW A 87 21.956 8.368 20.201 1.00 0.00 C +HETATM 1035 C3 HMW A 87 21.004 9.194 21.076 1.00 0.00 C +HETATM 1036 O1 HMW A 87 21.669 10.348 21.591 1.00 0.00 O +HETATM 1037 H1 HMW A 87 21.787 9.656 18.455 1.00 0.00 H +HETATM 1038 H2 HMW A 87 23.200 10.000 19.461 1.00 0.00 H +HETATM 1039 H3 HMW A 87 23.185 8.577 18.417 1.00 0.00 H +HETATM 1040 H4 HMW A 87 21.402 7.531 19.775 1.00 0.00 H +HETATM 1041 H5 HMW A 87 22.749 7.945 20.818 1.00 0.00 H +HETATM 1042 H6 HMW A 87 20.631 8.583 21.898 1.00 0.00 H +HETATM 1043 H7 HMW A 87 20.142 9.499 20.483 1.00 0.00 H +HETATM 1044 H8 HMW A 87 22.362 10.108 22.243 1.00 0.00 H +HETATM 1045 C1 HMW A 88 8.201 22.543 13.977 1.00 0.00 C +HETATM 1046 C2 HMW A 88 7.509 21.743 12.864 1.00 0.00 C +HETATM 1047 C3 HMW A 88 8.444 21.507 11.668 1.00 0.00 C +HETATM 1048 O1 HMW A 88 8.746 22.747 11.020 1.00 0.00 O +HETATM 1049 H1 HMW A 88 9.101 22.029 14.314 1.00 0.00 H +HETATM 1050 H2 HMW A 88 8.477 23.537 13.624 1.00 0.00 H +HETATM 1051 H3 HMW A 88 7.532 22.655 14.830 1.00 0.00 H +HETATM 1052 H4 HMW A 88 7.192 20.779 13.263 1.00 0.00 H +HETATM 1053 H5 HMW A 88 6.610 22.264 12.535 1.00 0.00 H +HETATM 1054 H6 HMW A 88 7.960 20.831 10.963 1.00 0.00 H +HETATM 1055 H7 HMW A 88 9.364 21.025 12.000 1.00 0.00 H +HETATM 1056 H8 HMW A 88 7.932 23.259 10.826 1.00 0.00 H +HETATM 1057 C1 HMW A 89 7.155 6.153 26.845 1.00 0.00 C +HETATM 1058 C2 HMW A 89 8.640 6.480 27.076 1.00 0.00 C +HETATM 1059 C3 HMW A 89 8.846 7.884 27.663 1.00 0.00 C +HETATM 1060 O1 HMW A 89 8.273 8.876 26.811 1.00 0.00 O +HETATM 1061 H1 HMW A 89 6.594 6.241 27.776 1.00 0.00 H +HETATM 1062 H2 HMW A 89 6.719 6.830 26.110 1.00 0.00 H +HETATM 1063 H3 HMW A 89 7.049 5.133 26.477 1.00 0.00 H +HETATM 1064 H4 HMW A 89 9.068 5.744 27.757 1.00 0.00 H +HETATM 1065 H5 HMW A 89 9.182 6.397 26.134 1.00 0.00 H +HETATM 1066 H6 HMW A 89 9.913 8.075 27.782 1.00 0.00 H +HETATM 1067 H7 HMW A 89 8.391 7.942 28.652 1.00 0.00 H +HETATM 1068 H8 HMW A 89 8.618 8.816 25.894 1.00 0.00 H +HETATM 1069 C1 HMW A 90 13.379 8.229 2.593 1.00 0.00 C +HETATM 1070 C2 HMW A 90 14.103 9.298 3.429 1.00 0.00 C +HETATM 1071 C3 HMW A 90 13.532 10.703 3.186 1.00 0.00 C +HETATM 1072 O1 HMW A 90 13.617 11.042 1.804 1.00 0.00 O +HETATM 1073 H1 HMW A 90 12.303 8.283 2.760 1.00 0.00 H +HETATM 1074 H2 HMW A 90 13.559 8.385 1.529 1.00 0.00 H +HETATM 1075 H3 HMW A 90 13.729 7.234 2.865 1.00 0.00 H +HETATM 1076 H4 HMW A 90 14.000 9.056 4.487 1.00 0.00 H +HETATM 1077 H5 HMW A 90 15.166 9.291 3.186 1.00 0.00 H +HETATM 1078 H6 HMW A 90 14.085 11.431 3.779 1.00 0.00 H +HETATM 1079 H7 HMW A 90 12.489 10.741 3.501 1.00 0.00 H +HETATM 1080 H8 HMW A 90 14.538 10.973 1.472 1.00 0.00 H +HETATM 1081 C1 HMW A 91 25.559 1.241 12.948 1.00 0.00 C +HETATM 1082 C2 HMW A 91 25.453 2.598 13.662 1.00 0.00 C +HETATM 1083 C3 HMW A 91 26.101 2.566 15.054 1.00 0.00 C +HETATM 1084 O1 HMW A 91 25.408 1.652 15.901 1.00 0.00 O +HETATM 1085 H1 HMW A 91 26.604 0.954 12.827 1.00 0.00 H +HETATM 1086 H2 HMW A 91 25.050 0.464 13.518 1.00 0.00 H +HETATM 1087 H3 HMW A 91 25.099 1.297 11.961 1.00 0.00 H +HETATM 1088 H4 HMW A 91 25.946 3.362 13.060 1.00 0.00 H +HETATM 1089 H5 HMW A 91 24.405 2.886 13.752 1.00 0.00 H +HETATM 1090 H6 HMW A 91 26.073 3.564 15.491 1.00 0.00 H +HETATM 1091 H7 HMW A 91 27.148 2.274 14.973 1.00 0.00 H +HETATM 1092 H8 HMW A 91 24.451 1.860 15.959 1.00 0.00 H +HETATM 1093 C1 HMW A 92 25.430 0.326 7.101 1.00 0.00 C +HETATM 1094 C2 HMW A 92 24.320 1.345 7.407 1.00 0.00 C +HETATM 1095 C3 HMW A 92 23.469 0.918 8.612 1.00 0.00 C +HETATM 1096 O1 HMW A 92 22.787 -0.303 8.329 1.00 0.00 O +HETATM 1097 H1 HMW A 92 26.080 0.196 7.966 1.00 0.00 H +HETATM 1098 H2 HMW A 92 25.003 -0.641 6.836 1.00 0.00 H +HETATM 1099 H3 HMW A 92 26.037 0.673 6.264 1.00 0.00 H +HETATM 1100 H4 HMW A 92 24.772 2.314 7.616 1.00 0.00 H +HETATM 1101 H5 HMW A 92 23.682 1.467 6.531 1.00 0.00 H +HETATM 1102 H6 HMW A 92 22.740 1.696 8.838 1.00 0.00 H +HETATM 1103 H7 HMW A 92 24.102 0.796 9.491 1.00 0.00 H +HETATM 1104 H8 HMW A 92 22.226 -0.226 7.528 1.00 0.00 H +HETATM 1105 C1 HMW A 93 16.345 15.485 24.026 1.00 0.00 C +HETATM 1106 C2 HMW A 93 15.256 15.212 22.978 1.00 0.00 C +HETATM 1107 C3 HMW A 93 15.840 14.978 21.578 1.00 0.00 C +HETATM 1108 O1 HMW A 93 16.598 16.113 21.163 1.00 0.00 O +HETATM 1109 H1 HMW A 93 17.030 14.639 24.094 1.00 0.00 H +HETATM 1110 H2 HMW A 93 16.917 16.375 23.766 1.00 0.00 H +HETATM 1111 H3 HMW A 93 15.894 15.638 25.007 1.00 0.00 H +HETATM 1112 H4 HMW A 93 14.679 14.335 23.275 1.00 0.00 H +HETATM 1113 H5 HMW A 93 14.565 16.055 22.948 1.00 0.00 H +HETATM 1114 H6 HMW A 93 15.028 14.799 20.873 1.00 0.00 H +HETATM 1115 H7 HMW A 93 16.476 14.092 21.579 1.00 0.00 H +HETATM 1116 H8 HMW A 93 16.055 16.930 21.169 1.00 0.00 H +HETATM 1117 C1 HMW A 94 6.391 8.425 8.183 1.00 0.00 C +HETATM 1118 C2 HMW A 94 5.605 8.338 6.864 1.00 0.00 C +HETATM 1119 C3 HMW A 94 4.330 9.197 6.895 1.00 0.00 C +HETATM 1120 O1 HMW A 94 3.453 8.741 7.920 1.00 0.00 O +HETATM 1121 H1 HMW A 94 6.671 9.457 8.394 1.00 0.00 H +HETATM 1122 H2 HMW A 94 5.794 8.049 9.014 1.00 0.00 H +HETATM 1123 H3 HMW A 94 7.300 7.826 8.119 1.00 0.00 H +HETATM 1124 H4 HMW A 94 6.241 8.673 6.044 1.00 0.00 H +HETATM 1125 H5 HMW A 94 5.342 7.299 6.663 1.00 0.00 H +HETATM 1126 H6 HMW A 94 3.825 9.133 5.931 1.00 0.00 H +HETATM 1127 H7 HMW A 94 4.587 10.243 7.064 1.00 0.00 H +HETATM 1128 H8 HMW A 94 3.242 7.788 7.821 1.00 0.00 H +HETATM 1129 C1 HMW A 95 19.015 28.426 19.703 1.00 0.00 C +HETATM 1130 C2 HMW A 95 19.734 27.081 19.511 1.00 0.00 C +HETATM 1131 C3 HMW A 95 20.487 26.657 20.781 1.00 0.00 C +HETATM 1132 O1 HMW A 95 21.547 27.573 21.055 1.00 0.00 O +HETATM 1133 H1 HMW A 95 18.273 28.360 20.500 1.00 0.00 H +HETATM 1134 H2 HMW A 95 19.730 29.204 19.970 1.00 0.00 H +HETATM 1135 H3 HMW A 95 18.509 28.720 18.783 1.00 0.00 H +HETATM 1136 H4 HMW A 95 19.002 26.316 19.252 1.00 0.00 H +HETATM 1137 H5 HMW A 95 20.434 27.156 18.678 1.00 0.00 H +HETATM 1138 H6 HMW A 95 20.899 25.657 20.645 1.00 0.00 H +HETATM 1139 H7 HMW A 95 19.799 26.619 21.626 1.00 0.00 H +HETATM 1140 H8 HMW A 95 22.220 27.565 20.341 1.00 0.00 H +HETATM 1141 C1 HMW A 96 18.111 13.398 26.477 1.00 0.00 C +HETATM 1142 C2 HMW A 96 18.374 12.526 27.716 1.00 0.00 C +HETATM 1143 C3 HMW A 96 18.595 11.051 27.350 1.00 0.00 C +HETATM 1144 O1 HMW A 96 17.418 10.511 26.749 1.00 0.00 O +HETATM 1145 H1 HMW A 96 18.952 13.347 25.786 1.00 0.00 H +HETATM 1146 H2 HMW A 96 17.209 13.069 25.960 1.00 0.00 H +HETATM 1147 H3 HMW A 96 17.976 14.439 26.775 1.00 0.00 H +HETATM 1148 H4 HMW A 96 19.256 12.899 28.237 1.00 0.00 H +HETATM 1149 H5 HMW A 96 17.534 12.609 28.406 1.00 0.00 H +HETATM 1150 H6 HMW A 96 18.827 10.491 28.256 1.00 0.00 H +HETATM 1151 H7 HMW A 96 19.443 10.949 26.673 1.00 0.00 H +HETATM 1152 H8 HMW A 96 17.333 10.779 25.809 1.00 0.00 H +HETATM 1153 C1 HMW A 97 10.372 6.499 0.727 1.00 0.00 C +HETATM 1154 C2 HMW A 97 10.377 5.802 2.099 1.00 0.00 C +HETATM 1155 C3 HMW A 97 11.370 4.632 2.146 1.00 0.00 C +HETATM 1156 O1 HMW A 97 10.978 3.621 1.215 1.00 0.00 O +HETATM 1157 H1 HMW A 97 11.374 6.839 0.465 1.00 0.00 H +HETATM 1158 H2 HMW A 97 10.020 5.820 -0.050 1.00 0.00 H +HETATM 1159 H3 HMW A 97 9.711 7.366 0.747 1.00 0.00 H +HETATM 1160 H4 HMW A 97 10.648 6.525 2.868 1.00 0.00 H +HETATM 1161 H5 HMW A 97 9.375 5.445 2.337 1.00 0.00 H +HETATM 1162 H6 HMW A 97 11.391 4.215 3.153 1.00 0.00 H +HETATM 1163 H7 HMW A 97 12.376 4.986 1.917 1.00 0.00 H +HETATM 1164 H8 HMW A 97 10.065 3.308 1.389 1.00 0.00 H +HETATM 1165 C1 HMW A 98 24.748 17.325 13.383 1.00 0.00 C +HETATM 1166 C2 HMW A 98 23.778 17.797 12.286 1.00 0.00 C +HETATM 1167 C3 HMW A 98 22.409 17.106 12.384 1.00 0.00 C +HETATM 1168 O1 HMW A 98 22.554 15.695 12.250 1.00 0.00 O +HETATM 1169 H1 HMW A 98 24.324 17.504 14.372 1.00 0.00 H +HETATM 1170 H2 HMW A 98 24.958 16.261 13.280 1.00 0.00 H +HETATM 1171 H3 HMW A 98 25.691 17.867 13.309 1.00 0.00 H +HETATM 1172 H4 HMW A 98 23.639 18.875 12.370 1.00 0.00 H +HETATM 1173 H5 HMW A 98 24.215 17.607 11.305 1.00 0.00 H +HETATM 1174 H6 HMW A 98 21.755 17.483 11.598 1.00 0.00 H +HETATM 1175 H7 HMW A 98 21.939 17.341 13.340 1.00 0.00 H +HETATM 1176 H8 HMW A 98 23.055 15.459 11.440 1.00 0.00 H +HETATM 1177 C1 HMW A 99 19.106 12.692 22.673 1.00 0.00 C +HETATM 1178 C2 HMW A 99 18.161 11.695 21.983 1.00 0.00 C +HETATM 1179 C3 HMW A 99 16.947 11.364 22.862 1.00 0.00 C +HETATM 1180 O1 HMW A 99 17.377 10.720 24.058 1.00 0.00 O +HETATM 1181 H1 HMW A 99 18.614 13.654 22.819 1.00 0.00 H +HETATM 1182 H2 HMW A 99 19.419 12.307 23.643 1.00 0.00 H +HETATM 1183 H3 HMW A 99 19.999 12.856 22.069 1.00 0.00 H +HETATM 1184 H4 HMW A 99 17.825 12.109 21.033 1.00 0.00 H +HETATM 1185 H5 HMW A 99 18.700 10.773 21.764 1.00 0.00 H +HETATM 1186 H6 HMW A 99 16.273 10.704 22.315 1.00 0.00 H +HETATM 1187 H7 HMW A 99 16.397 12.273 23.105 1.00 0.00 H +HETATM 1188 H8 HMW A 99 17.815 9.863 23.867 1.00 0.00 H +HETATM 1189 C1 HMW A 100 8.982 18.463 14.269 1.00 0.00 C +HETATM 1190 C2 HMW A 100 10.134 17.450 14.179 1.00 0.00 C +HETATM 1191 C3 HMW A 100 11.488 18.144 13.979 1.00 0.00 C +HETATM 1192 O1 HMW A 100 11.546 18.761 12.695 1.00 0.00 O +HETATM 1193 H1 HMW A 100 9.161 19.178 15.072 1.00 0.00 H +HETATM 1194 H2 HMW A 100 8.882 19.010 13.331 1.00 0.00 H +HETATM 1195 H3 HMW A 100 8.043 17.948 14.468 1.00 0.00 H +HETATM 1196 H4 HMW A 100 10.168 16.869 15.101 1.00 0.00 H +HETATM 1197 H5 HMW A 100 9.953 16.754 13.360 1.00 0.00 H +HETATM 1198 H6 HMW A 100 12.288 17.408 14.065 1.00 0.00 H +HETATM 1199 H7 HMW A 100 11.641 18.892 14.757 1.00 0.00 H +HETATM 1200 H8 HMW A 100 11.380 18.117 11.974 1.00 0.00 H +HETATM 1201 C1 HMW A 101 22.500 1.222 19.583 1.00 0.00 C +HETATM 1202 C2 HMW A 101 20.981 1.396 19.703 1.00 0.00 C +HETATM 1203 C3 HMW A 101 20.262 0.954 18.420 1.00 0.00 C +HETATM 1204 O1 HMW A 101 20.431 1.933 17.393 1.00 0.00 O +HETATM 1205 H1 HMW A 101 22.753 0.175 19.420 1.00 0.00 H +HETATM 1206 H2 HMW A 101 22.890 1.807 18.750 1.00 0.00 H +HETATM 1207 H3 HMW A 101 22.987 1.553 20.501 1.00 0.00 H +HETATM 1208 H4 HMW A 101 20.625 0.793 20.538 1.00 0.00 H +HETATM 1209 H5 HMW A 101 20.738 2.434 19.931 1.00 0.00 H +HETATM 1210 H6 HMW A 101 19.199 0.830 18.627 1.00 0.00 H +HETATM 1211 H7 HMW A 101 20.647 -0.010 18.089 1.00 0.00 H +HETATM 1212 H8 HMW A 101 19.894 2.734 17.574 1.00 0.00 H +HETATM 1213 C1 HMW A 102 14.708 1.338 15.179 1.00 0.00 C +HETATM 1214 C2 HMW A 102 15.725 0.461 15.926 1.00 0.00 C +HETATM 1215 C3 HMW A 102 16.569 1.292 16.903 1.00 0.00 C +HETATM 1216 O1 HMW A 102 17.379 2.220 16.185 1.00 0.00 O +HETATM 1217 H1 HMW A 102 14.038 1.828 15.885 1.00 0.00 H +HETATM 1218 H2 HMW A 102 15.219 2.106 14.598 1.00 0.00 H +HETATM 1219 H3 HMW A 102 14.111 0.731 14.498 1.00 0.00 H +HETATM 1220 H4 HMW A 102 15.192 -0.310 16.482 1.00 0.00 H +HETATM 1221 H5 HMW A 102 16.378 -0.042 15.214 1.00 0.00 H +HETATM 1222 H6 HMW A 102 17.204 0.627 17.489 1.00 0.00 H +HETATM 1223 H7 HMW A 102 15.920 1.824 17.598 1.00 0.00 H +HETATM 1224 H8 HMW A 102 18.012 1.764 15.591 1.00 0.00 H +HETATM 1225 C1 HMW A 103 12.198 5.429 28.155 1.00 0.00 C +HETATM 1226 C2 HMW A 103 12.449 4.816 26.766 1.00 0.00 C +HETATM 1227 C3 HMW A 103 13.518 5.584 25.978 1.00 0.00 C +HETATM 1228 O1 HMW A 103 13.095 6.925 25.743 1.00 0.00 O +HETATM 1229 H1 HMW A 103 13.122 5.476 28.730 1.00 0.00 H +HETATM 1230 H2 HMW A 103 11.795 6.438 28.062 1.00 0.00 H +HETATM 1231 H3 HMW A 103 11.479 4.822 28.705 1.00 0.00 H +HETATM 1232 H4 HMW A 103 12.774 3.782 26.886 1.00 0.00 H +HETATM 1233 H5 HMW A 103 11.518 4.795 26.199 1.00 0.00 H +HETATM 1234 H6 HMW A 103 13.697 5.084 25.026 1.00 0.00 H +HETATM 1235 H7 HMW A 103 14.459 5.585 26.530 1.00 0.00 H +HETATM 1236 H8 HMW A 103 12.272 6.957 25.210 1.00 0.00 H +HETATM 1237 C1 HMW A 104 24.872 6.233 13.897 1.00 0.00 C +HETATM 1238 C2 HMW A 104 24.559 7.734 14.007 1.00 0.00 C +HETATM 1239 C3 HMW A 104 23.738 8.058 15.264 1.00 0.00 C +HETATM 1240 O1 HMW A 104 22.478 7.388 15.218 1.00 0.00 O +HETATM 1241 H1 HMW A 104 25.404 5.886 14.783 1.00 0.00 H +HETATM 1242 H2 HMW A 104 23.953 5.655 13.797 1.00 0.00 H +HETATM 1243 H3 HMW A 104 25.496 6.043 13.024 1.00 0.00 H +HETATM 1244 H4 HMW A 104 25.498 8.286 14.045 1.00 0.00 H +HETATM 1245 H5 HMW A 104 24.021 8.065 13.119 1.00 0.00 H +HETATM 1246 H6 HMW A 104 23.577 9.134 15.330 1.00 0.00 H +HETATM 1247 H7 HMW A 104 24.291 7.755 16.153 1.00 0.00 H +HETATM 1248 H8 HMW A 104 21.932 7.702 14.466 1.00 0.00 H +HETATM 1249 C1 HMW A 105 9.696 4.460 23.454 1.00 0.00 C +HETATM 1250 C2 HMW A 105 9.848 5.707 22.568 1.00 0.00 C +HETATM 1251 C3 HMW A 105 11.072 6.536 22.974 1.00 0.00 C +HETATM 1252 O1 HMW A 105 10.887 7.122 24.260 1.00 0.00 O +HETATM 1253 H1 HMW A 105 10.601 3.853 23.414 1.00 0.00 H +HETATM 1254 H2 HMW A 105 9.514 4.738 24.492 1.00 0.00 H +HETATM 1255 H3 HMW A 105 8.862 3.849 23.107 1.00 0.00 H +HETATM 1256 H4 HMW A 105 9.964 5.391 21.532 1.00 0.00 H +HETATM 1257 H5 HMW A 105 8.948 6.320 22.621 1.00 0.00 H +HETATM 1258 H6 HMW A 105 11.238 7.324 22.239 1.00 0.00 H +HETATM 1259 H7 HMW A 105 11.956 5.899 22.987 1.00 0.00 H +HETATM 1260 H8 HMW A 105 10.123 7.737 24.269 1.00 0.00 H +HETATM 1261 C1 HMW A 106 1.639 19.628 23.255 1.00 0.00 C +HETATM 1262 C2 HMW A 106 2.894 18.832 23.650 1.00 0.00 C +HETATM 1263 C3 HMW A 106 2.887 18.443 25.138 1.00 0.00 C +HETATM 1264 O1 HMW A 106 2.820 19.606 25.959 1.00 0.00 O +HETATM 1265 H1 HMW A 106 0.738 19.057 23.480 1.00 0.00 H +HETATM 1266 H2 HMW A 106 1.596 20.574 23.796 1.00 0.00 H +HETATM 1267 H3 HMW A 106 1.652 19.845 22.187 1.00 0.00 H +HETATM 1268 H4 HMW A 106 2.943 17.923 23.050 1.00 0.00 H +HETATM 1269 H5 HMW A 106 3.787 19.416 23.427 1.00 0.00 H +HETATM 1270 H6 HMW A 106 3.790 17.879 25.371 1.00 0.00 H +HETATM 1271 H7 HMW A 106 2.034 17.798 25.349 1.00 0.00 H +HETATM 1272 H8 HMW A 106 3.486 20.277 25.698 1.00 0.00 H +HETATM 1273 C1 HMW A 107 3.512 25.468 8.547 1.00 0.00 C +HETATM 1274 C2 HMW A 107 2.640 24.469 9.320 1.00 0.00 C +HETATM 1275 C3 HMW A 107 2.695 24.705 10.838 1.00 0.00 C +HETATM 1276 O1 HMW A 107 4.013 24.499 11.350 1.00 0.00 O +HETATM 1277 H1 HMW A 107 3.219 26.492 8.779 1.00 0.00 H +HETATM 1278 H2 HMW A 107 4.563 25.337 8.806 1.00 0.00 H +HETATM 1279 H3 HMW A 107 3.402 25.312 7.474 1.00 0.00 H +HETATM 1280 H4 HMW A 107 1.606 24.567 8.986 1.00 0.00 H +HETATM 1281 H5 HMW A 107 2.955 23.451 9.091 1.00 0.00 H +HETATM 1282 H6 HMW A 107 2.008 24.019 11.333 1.00 0.00 H +HETATM 1283 H7 HMW A 107 2.365 25.718 11.069 1.00 0.00 H +HETATM 1284 H8 HMW A 107 4.017 24.538 12.330 1.00 0.00 H +HETATM 1285 C1 HMW A 108 23.301 4.562 10.721 1.00 0.00 C +HETATM 1286 C2 HMW A 108 21.962 4.939 11.377 1.00 0.00 C +HETATM 1287 C3 HMW A 108 21.603 3.996 12.534 1.00 0.00 C +HETATM 1288 O1 HMW A 108 21.506 2.653 12.065 1.00 0.00 O +HETATM 1289 H1 HMW A 108 24.102 4.562 11.461 1.00 0.00 H +HETATM 1290 H2 HMW A 108 23.245 3.569 10.273 1.00 0.00 H +HETATM 1291 H3 HMW A 108 23.552 5.277 9.938 1.00 0.00 H +HETATM 1292 H4 HMW A 108 22.027 5.958 11.760 1.00 0.00 H +HETATM 1293 H5 HMW A 108 21.168 4.922 10.630 1.00 0.00 H +HETATM 1294 H6 HMW A 108 20.655 4.304 12.977 1.00 0.00 H +HETATM 1295 H7 HMW A 108 22.358 4.057 13.318 1.00 0.00 H +HETATM 1296 H8 HMW A 108 20.851 2.562 11.341 1.00 0.00 H +HETATM 1297 C1 HMW A 109 12.214 26.559 19.710 1.00 0.00 C +HETATM 1298 C2 HMW A 109 12.081 25.472 18.630 1.00 0.00 C +HETATM 1299 C3 HMW A 109 11.593 24.140 19.217 1.00 0.00 C +HETATM 1300 O1 HMW A 109 12.587 23.591 20.083 1.00 0.00 O +HETATM 1301 H1 HMW A 109 11.252 26.734 20.193 1.00 0.00 H +HETATM 1302 H2 HMW A 109 12.937 26.265 20.470 1.00 0.00 H +HETATM 1303 H3 HMW A 109 12.548 27.495 19.262 1.00 0.00 H +HETATM 1304 H4 HMW A 109 11.370 25.810 17.876 1.00 0.00 H +HETATM 1305 H5 HMW A 109 13.038 25.326 18.129 1.00 0.00 H +HETATM 1306 H6 HMW A 109 11.385 23.438 18.409 1.00 0.00 H +HETATM 1307 H7 HMW A 109 10.663 24.294 19.764 1.00 0.00 H +HETATM 1308 H8 HMW A 109 13.422 23.399 19.603 1.00 0.00 H +HETATM 1309 C1 HMW A 110 28.916 10.513 10.879 1.00 0.00 C +HETATM 1310 C2 HMW A 110 28.084 9.271 10.515 1.00 0.00 C +HETATM 1311 C3 HMW A 110 27.304 8.725 11.719 1.00 0.00 C +HETATM 1312 O1 HMW A 110 28.203 8.298 12.742 1.00 0.00 O +HETATM 1313 H1 HMW A 110 28.275 11.306 11.265 1.00 0.00 H +HETATM 1314 H2 HMW A 110 29.669 10.270 11.629 1.00 0.00 H +HETATM 1315 H3 HMW A 110 29.432 10.889 9.995 1.00 0.00 H +HETATM 1316 H4 HMW A 110 27.377 9.530 9.727 1.00 0.00 H +HETATM 1317 H5 HMW A 110 28.737 8.495 10.115 1.00 0.00 H +HETATM 1318 H6 HMW A 110 26.687 7.885 11.402 1.00 0.00 H +HETATM 1319 H7 HMW A 110 26.635 9.494 12.107 1.00 0.00 H +HETATM 1320 H8 HMW A 110 28.779 9.030 13.050 1.00 0.00 H +HETATM 1321 C1 HMW A 111 26.514 14.654 21.524 1.00 0.00 C +HETATM 1322 C2 HMW A 111 25.271 14.176 20.753 1.00 0.00 C +HETATM 1323 C3 HMW A 111 25.277 12.656 20.534 1.00 0.00 C +HETATM 1324 O1 HMW A 111 26.429 12.276 19.789 1.00 0.00 O +HETATM 1325 H1 HMW A 111 26.588 14.146 22.486 1.00 0.00 H +HETATM 1326 H2 HMW A 111 27.422 14.453 20.955 1.00 0.00 H +HETATM 1327 H3 HMW A 111 26.454 15.728 21.704 1.00 0.00 H +HETATM 1328 H4 HMW A 111 24.376 14.452 21.312 1.00 0.00 H +HETATM 1329 H5 HMW A 111 25.218 14.683 19.790 1.00 0.00 H +HETATM 1330 H6 HMW A 111 24.376 12.361 19.995 1.00 0.00 H +HETATM 1331 H7 HMW A 111 25.272 12.141 21.495 1.00 0.00 H +HETATM 1332 H8 HMW A 111 26.503 12.782 18.952 1.00 0.00 H +HETATM 1333 C1 HMW A 112 16.720 7.491 5.428 1.00 0.00 C +HETATM 1334 C2 HMW A 112 17.078 7.979 6.840 1.00 0.00 C +HETATM 1335 C3 HMW A 112 18.544 8.433 6.961 1.00 0.00 C +HETATM 1336 O1 HMW A 112 19.464 7.385 6.626 1.00 0.00 O +HETATM 1337 H1 HMW A 112 16.893 8.282 4.698 1.00 0.00 H +HETATM 1338 H2 HMW A 112 17.316 6.619 5.158 1.00 0.00 H +HETATM 1339 H3 HMW A 112 15.667 7.213 5.378 1.00 0.00 H +HETATM 1340 H4 HMW A 112 16.428 8.815 7.099 1.00 0.00 H +HETATM 1341 H5 HMW A 112 16.877 7.189 7.563 1.00 0.00 H +HETATM 1342 H6 HMW A 112 18.725 8.757 7.986 1.00 0.00 H +HETATM 1343 H7 HMW A 112 18.712 9.292 6.311 1.00 0.00 H +HETATM 1344 H8 HMW A 112 20.394 7.641 6.809 1.00 0.00 H +HETATM 1345 C1 HMW A 113 16.353 20.668 24.059 1.00 0.00 C +HETATM 1346 C2 HMW A 113 15.719 21.974 23.558 1.00 0.00 C +HETATM 1347 C3 HMW A 113 14.649 21.728 22.484 1.00 0.00 C +HETATM 1348 O1 HMW A 113 15.220 21.097 21.340 1.00 0.00 O +HETATM 1349 H1 HMW A 113 15.591 20.005 24.469 1.00 0.00 H +HETATM 1350 H2 HMW A 113 16.868 20.152 23.248 1.00 0.00 H +HETATM 1351 H3 HMW A 113 17.084 20.883 24.839 1.00 0.00 H +HETATM 1352 H4 HMW A 113 15.262 22.495 24.399 1.00 0.00 H +HETATM 1353 H5 HMW A 113 16.495 22.629 23.160 1.00 0.00 H +HETATM 1354 H6 HMW A 113 14.207 22.679 22.190 1.00 0.00 H +HETATM 1355 H7 HMW A 113 13.850 21.107 22.889 1.00 0.00 H +HETATM 1356 H8 HMW A 113 16.014 21.577 21.019 1.00 0.00 H +HETATM 1357 C1 HMW A 114 24.759 4.459 18.496 1.00 0.00 C +HETATM 1358 C2 HMW A 114 23.709 5.577 18.544 1.00 0.00 C +HETATM 1359 C3 HMW A 114 22.398 5.160 17.858 1.00 0.00 C +HETATM 1360 O1 HMW A 114 22.586 4.999 16.452 1.00 0.00 O +HETATM 1361 H1 HMW A 114 24.372 3.558 18.972 1.00 0.00 H +HETATM 1362 H2 HMW A 114 25.026 4.226 17.465 1.00 0.00 H +HETATM 1363 H3 HMW A 114 25.660 4.764 19.028 1.00 0.00 H +HETATM 1364 H4 HMW A 114 23.503 5.820 19.587 1.00 0.00 H +HETATM 1365 H5 HMW A 114 24.109 6.475 18.073 1.00 0.00 H +HETATM 1366 H6 HMW A 114 21.637 5.922 18.029 1.00 0.00 H +HETATM 1367 H7 HMW A 114 22.034 4.230 18.295 1.00 0.00 H +HETATM 1368 H8 HMW A 114 22.667 5.865 15.997 1.00 0.00 H +HETATM 1369 C1 HMW A 115 1.823 27.788 16.904 1.00 0.00 C +HETATM 1370 C2 HMW A 115 0.874 26.602 17.146 1.00 0.00 C +HETATM 1371 C3 HMW A 115 1.360 25.326 16.442 1.00 0.00 C +HETATM 1372 O1 HMW A 115 1.342 25.500 15.025 1.00 0.00 O +HETATM 1373 H1 HMW A 115 2.824 27.557 17.271 1.00 0.00 H +HETATM 1374 H2 HMW A 115 1.885 28.023 15.842 1.00 0.00 H +HETATM 1375 H3 HMW A 115 1.461 28.671 17.430 1.00 0.00 H +HETATM 1376 H4 HMW A 115 0.805 26.413 18.217 1.00 0.00 H +HETATM 1377 H5 HMW A 115 -0.129 26.853 16.800 1.00 0.00 H +HETATM 1378 H6 HMW A 115 0.715 24.491 16.715 1.00 0.00 H +HETATM 1379 H7 HMW A 115 2.371 25.083 16.772 1.00 0.00 H +HETATM 1380 H8 HMW A 115 0.437 25.693 14.699 1.00 0.00 H +HETATM 1381 C1 HMW A 116 15.572 25.087 21.226 1.00 0.00 C +HETATM 1382 C2 HMW A 116 16.412 26.255 21.761 1.00 0.00 C +HETATM 1383 C3 HMW A 116 16.703 26.122 23.263 1.00 0.00 C +HETATM 1384 O1 HMW A 116 15.485 26.171 24.005 1.00 0.00 O +HETATM 1385 H1 HMW A 116 16.107 24.146 21.357 1.00 0.00 H +HETATM 1386 H2 HMW A 116 14.618 25.025 21.750 1.00 0.00 H +HETATM 1387 H3 HMW A 116 15.374 25.221 20.163 1.00 0.00 H +HETATM 1388 H4 HMW A 116 17.357 26.284 21.217 1.00 0.00 H +HETATM 1389 H5 HMW A 116 15.898 27.197 21.569 1.00 0.00 H +HETATM 1390 H6 HMW A 116 17.356 26.935 23.579 1.00 0.00 H +HETATM 1391 H7 HMW A 116 17.224 25.185 23.464 1.00 0.00 H +HETATM 1392 H8 HMW A 116 14.940 26.948 23.756 1.00 0.00 H +HETATM 1393 C1 HMW A 117 5.808 12.830 24.661 1.00 0.00 C +HETATM 1394 C2 HMW A 117 6.182 11.358 24.417 1.00 0.00 C +HETATM 1395 C3 HMW A 117 4.956 10.431 24.485 1.00 0.00 C +HETATM 1396 O1 HMW A 117 4.329 10.535 25.762 1.00 0.00 O +HETATM 1397 H1 HMW A 117 5.047 13.154 23.951 1.00 0.00 H +HETATM 1398 H2 HMW A 117 5.421 12.968 25.671 1.00 0.00 H +HETATM 1399 H3 HMW A 117 6.685 13.467 24.542 1.00 0.00 H +HETATM 1400 H4 HMW A 117 6.641 11.269 23.432 1.00 0.00 H +HETATM 1401 H5 HMW A 117 6.924 11.040 25.150 1.00 0.00 H +HETATM 1402 H6 HMW A 117 5.262 9.400 24.309 1.00 0.00 H +HETATM 1403 H7 HMW A 117 4.247 10.700 23.702 1.00 0.00 H +HETATM 1404 H8 HMW A 117 4.931 10.272 26.491 1.00 0.00 H +HETATM 1405 C1 HMW A 118 24.609 11.553 2.682 1.00 0.00 C +HETATM 1406 C2 HMW A 118 24.549 11.994 1.210 1.00 0.00 C +HETATM 1407 C3 HMW A 118 24.084 13.451 1.069 1.00 0.00 C +HETATM 1408 O1 HMW A 118 22.731 13.580 1.496 1.00 0.00 O +HETATM 1409 H1 HMW A 118 25.256 12.221 3.251 1.00 0.00 H +HETATM 1410 H2 HMW A 118 23.617 11.561 3.133 1.00 0.00 H +HETATM 1411 H3 HMW A 118 25.011 10.542 2.757 1.00 0.00 H +HETATM 1412 H4 HMW A 118 25.543 11.897 0.772 1.00 0.00 H +HETATM 1413 H5 HMW A 118 23.885 11.335 0.650 1.00 0.00 H +HETATM 1414 H6 HMW A 118 24.169 13.764 0.028 1.00 0.00 H +HETATM 1415 H7 HMW A 118 24.725 14.105 1.661 1.00 0.00 H +HETATM 1416 H8 HMW A 118 22.118 13.071 0.923 1.00 0.00 H +HETATM 1417 C1 HMW A 119 26.442 -0.191 20.308 1.00 0.00 C +HETATM 1418 C2 HMW A 119 26.128 0.887 19.258 1.00 0.00 C +HETATM 1419 C3 HMW A 119 27.395 1.606 18.772 1.00 0.00 C +HETATM 1420 O1 HMW A 119 28.006 2.320 19.846 1.00 0.00 O +HETATM 1421 H1 HMW A 119 27.125 -0.936 19.898 1.00 0.00 H +HETATM 1422 H2 HMW A 119 26.902 0.251 21.191 1.00 0.00 H +HETATM 1423 H3 HMW A 119 25.523 -0.694 20.611 1.00 0.00 H +HETATM 1424 H4 HMW A 119 25.633 0.420 18.406 1.00 0.00 H +HETATM 1425 H5 HMW A 119 25.432 1.613 19.677 1.00 0.00 H +HETATM 1426 H6 HMW A 119 27.139 2.301 17.972 1.00 0.00 H +HETATM 1427 H7 HMW A 119 28.098 0.880 18.362 1.00 0.00 H +HETATM 1428 H8 HMW A 119 27.427 3.033 20.191 1.00 0.00 H +HETATM 1429 C1 HMW A 120 21.983 14.137 28.241 1.00 0.00 C +HETATM 1430 C2 HMW A 120 21.263 15.331 28.889 1.00 0.00 C +HETATM 1431 C3 HMW A 120 21.521 16.633 28.116 1.00 0.00 C +HETATM 1432 O1 HMW A 120 22.908 16.975 28.178 1.00 0.00 O +HETATM 1433 H1 HMW A 120 21.647 14.008 27.212 1.00 0.00 H +HETATM 1434 H2 HMW A 120 23.062 14.290 28.236 1.00 0.00 H +HETATM 1435 H3 HMW A 120 21.766 13.221 28.791 1.00 0.00 H +HETATM 1436 H4 HMW A 120 20.191 15.137 28.906 1.00 0.00 H +HETATM 1437 H5 HMW A 120 21.588 15.445 29.924 1.00 0.00 H +HETATM 1438 H6 HMW A 120 20.927 17.438 28.548 1.00 0.00 H +HETATM 1439 H7 HMW A 120 21.210 16.516 27.077 1.00 0.00 H +HETATM 1440 H8 HMW A 120 23.216 17.068 29.105 1.00 0.00 H +HETATM 1441 C1 HMW A 121 21.705 3.539 4.515 1.00 0.00 C +HETATM 1442 C2 HMW A 121 21.174 4.457 5.631 1.00 0.00 C +HETATM 1443 C3 HMW A 121 21.480 3.886 7.023 1.00 0.00 C +HETATM 1444 O1 HMW A 121 20.671 2.733 7.274 1.00 0.00 O +HETATM 1445 H1 HMW A 121 22.788 3.435 4.591 1.00 0.00 H +HETATM 1446 H2 HMW A 121 21.259 2.547 4.579 1.00 0.00 H +HETATM 1447 H3 HMW A 121 21.469 3.961 3.538 1.00 0.00 H +HETATM 1448 H4 HMW A 121 21.644 5.436 5.535 1.00 0.00 H +HETATM 1449 H5 HMW A 121 20.100 4.603 5.517 1.00 0.00 H +HETATM 1450 H6 HMW A 121 21.279 4.645 7.780 1.00 0.00 H +HETATM 1451 H7 HMW A 121 22.537 3.632 7.095 1.00 0.00 H +HETATM 1452 H8 HMW A 121 19.719 2.969 7.318 1.00 0.00 H +HETATM 1453 C1 HMW A 122 19.545 13.125 11.419 1.00 0.00 C +HETATM 1454 C2 HMW A 122 19.829 13.068 12.928 1.00 0.00 C +HETATM 1455 C3 HMW A 122 20.447 11.727 13.347 1.00 0.00 C +HETATM 1456 O1 HMW A 122 19.616 10.632 12.945 1.00 0.00 O +HETATM 1457 H1 HMW A 122 20.456 12.937 10.850 1.00 0.00 H +HETATM 1458 H2 HMW A 122 18.804 12.376 11.139 1.00 0.00 H +HETATM 1459 H3 HMW A 122 19.164 14.108 11.146 1.00 0.00 H +HETATM 1460 H4 HMW A 122 20.513 13.873 13.197 1.00 0.00 H +HETATM 1461 H5 HMW A 122 18.907 13.233 13.484 1.00 0.00 H +HETATM 1462 H6 HMW A 122 20.578 11.720 14.429 1.00 0.00 H +HETATM 1463 H7 HMW A 122 21.435 11.620 12.899 1.00 0.00 H +HETATM 1464 H8 HMW A 122 18.688 10.750 13.239 1.00 0.00 H +HETATM 1465 C1 HMW A 123 15.406 9.869 18.843 1.00 0.00 C +HETATM 1466 C2 HMW A 123 14.616 9.206 17.700 1.00 0.00 C +HETATM 1467 C3 HMW A 123 15.354 9.260 16.354 1.00 0.00 C +HETATM 1468 O1 HMW A 123 15.595 10.617 15.974 1.00 0.00 O +HETATM 1469 H1 HMW A 123 16.344 9.343 19.019 1.00 0.00 H +HETATM 1470 H2 HMW A 123 15.628 10.911 18.609 1.00 0.00 H +HETATM 1471 H3 HMW A 123 14.823 9.845 19.764 1.00 0.00 H +HETATM 1472 H4 HMW A 123 14.424 8.165 17.960 1.00 0.00 H +HETATM 1473 H5 HMW A 123 13.649 9.697 17.596 1.00 0.00 H +HETATM 1474 H6 HMW A 123 14.752 8.764 15.592 1.00 0.00 H +HETATM 1475 H7 HMW A 123 16.295 8.714 16.418 1.00 0.00 H +HETATM 1476 H8 HMW A 123 14.781 11.161 16.037 1.00 0.00 H +HETATM 1477 C1 HMW A 124 17.959 -0.319 9.183 1.00 0.00 C +HETATM 1478 C2 HMW A 124 19.420 -0.538 9.608 1.00 0.00 C +HETATM 1479 C3 HMW A 124 19.933 0.569 10.536 1.00 0.00 C +HETATM 1480 O1 HMW A 124 19.922 1.846 9.884 1.00 0.00 O +HETATM 1481 H1 HMW A 124 17.310 -0.268 10.057 1.00 0.00 H +HETATM 1482 H2 HMW A 124 17.854 0.603 8.610 1.00 0.00 H +HETATM 1483 H3 HMW A 124 17.624 -1.145 8.555 1.00 0.00 H +HETATM 1484 H4 HMW A 124 19.500 -1.495 10.123 1.00 0.00 H +HETATM 1485 H5 HMW A 124 20.060 -0.600 8.727 1.00 0.00 H +HETATM 1486 H6 HMW A 124 20.949 0.326 10.846 1.00 0.00 H +HETATM 1487 H7 HMW A 124 19.320 0.609 11.437 1.00 0.00 H +HETATM 1488 H8 HMW A 124 20.438 1.833 9.049 1.00 0.00 H +HETATM 1489 C1 HMW A 125 21.619 15.221 20.742 1.00 0.00 C +HETATM 1490 C2 HMW A 125 20.385 15.421 19.845 1.00 0.00 C +HETATM 1491 C3 HMW A 125 19.740 16.788 20.088 1.00 0.00 C +HETATM 1492 O1 HMW A 125 19.163 16.845 21.396 1.00 0.00 O +HETATM 1493 H1 HMW A 125 22.340 16.023 20.582 1.00 0.00 H +HETATM 1494 H2 HMW A 125 21.333 15.211 21.794 1.00 0.00 H +HETATM 1495 H3 HMW A 125 22.111 14.277 20.508 1.00 0.00 H +HETATM 1496 H4 HMW A 125 20.690 15.353 18.801 1.00 0.00 H +HETATM 1497 H5 HMW A 125 19.653 14.633 20.023 1.00 0.00 H +HETATM 1498 H6 HMW A 125 18.962 16.959 19.344 1.00 0.00 H +HETATM 1499 H7 HMW A 125 20.485 17.574 19.969 1.00 0.00 H +HETATM 1500 H8 HMW A 125 18.309 16.363 21.426 1.00 0.00 H +HETATM 1501 C1 HMW A 126 14.655 4.984 17.422 1.00 0.00 C +HETATM 1502 C2 HMW A 126 13.144 5.252 17.331 1.00 0.00 C +HETATM 1503 C3 HMW A 126 12.358 4.375 18.313 1.00 0.00 C +HETATM 1504 O1 HMW A 126 12.558 2.999 17.999 1.00 0.00 O +HETATM 1505 H1 HMW A 126 14.990 5.049 18.457 1.00 0.00 H +HETATM 1506 H2 HMW A 126 14.896 3.991 17.042 1.00 0.00 H +HETATM 1507 H3 HMW A 126 15.207 5.721 16.839 1.00 0.00 H +HETATM 1508 H4 HMW A 126 12.952 6.300 17.564 1.00 0.00 H +HETATM 1509 H5 HMW A 126 12.789 5.081 16.315 1.00 0.00 H +HETATM 1510 H6 HMW A 126 11.296 4.611 18.250 1.00 0.00 H +HETATM 1511 H7 HMW A 126 12.680 4.581 19.334 1.00 0.00 H +HETATM 1512 H8 HMW A 126 12.187 2.780 17.117 1.00 0.00 H +HETATM 1513 C1 HMW A 127 11.431 8.035 19.446 1.00 0.00 C +HETATM 1514 C2 HMW A 127 9.923 8.070 19.157 1.00 0.00 C +HETATM 1515 C3 HMW A 127 9.479 6.989 18.164 1.00 0.00 C +HETATM 1516 O1 HMW A 127 10.269 7.030 16.976 1.00 0.00 O +HETATM 1517 H1 HMW A 127 11.729 7.051 19.810 1.00 0.00 H +HETATM 1518 H2 HMW A 127 11.997 8.260 18.541 1.00 0.00 H +HETATM 1519 H3 HMW A 127 11.690 8.777 20.201 1.00 0.00 H +HETATM 1520 H4 HMW A 127 9.383 7.923 20.093 1.00 0.00 H +HETATM 1521 H5 HMW A 127 9.644 9.049 18.767 1.00 0.00 H +HETATM 1522 H6 HMW A 127 8.429 7.137 17.911 1.00 0.00 H +HETATM 1523 H7 HMW A 127 9.565 6.007 18.631 1.00 0.00 H +HETATM 1524 H8 HMW A 127 10.243 7.913 16.549 1.00 0.00 H +HETATM 1525 C1 HMW A 128 3.370 5.618 26.221 1.00 0.00 C +HETATM 1526 C2 HMW A 128 3.577 7.138 26.341 1.00 0.00 C +HETATM 1527 C3 HMW A 128 2.273 7.882 26.673 1.00 0.00 C +HETATM 1528 O1 HMW A 128 1.295 7.653 25.661 1.00 0.00 O +HETATM 1529 H1 HMW A 128 2.962 5.214 27.148 1.00 0.00 H +HETATM 1530 H2 HMW A 128 2.684 5.387 25.406 1.00 0.00 H +HETATM 1531 H3 HMW A 128 4.320 5.125 26.016 1.00 0.00 H +HETATM 1532 H4 HMW A 128 4.308 7.341 27.123 1.00 0.00 H +HETATM 1533 H5 HMW A 128 3.990 7.524 25.409 1.00 0.00 H +HETATM 1534 H6 HMW A 128 2.473 8.951 26.750 1.00 0.00 H +HETATM 1535 H7 HMW A 128 1.890 7.552 27.639 1.00 0.00 H +HETATM 1536 H8 HMW A 128 1.680 7.743 24.763 1.00 0.00 H +TER 1537 HMW A 128 +HETATM 1538 O HOH B 1 10.256 9.390 15.653 1.00 0.00 O +HETATM 1539 H1 HOH B 1 11.085 9.529 15.195 1.00 0.00 H +HETATM 1540 H2 HOH B 1 9.813 10.237 15.611 1.00 0.00 H +HETATM 1541 O HOH B 2 6.356 5.125 22.911 1.00 0.00 O +HETATM 1542 H1 HOH B 2 6.956 5.199 23.653 1.00 0.00 H +HETATM 1543 H2 HOH B 2 5.803 4.373 23.123 1.00 0.00 H +HETATM 1544 O HOH B 3 21.632 19.939 6.685 1.00 0.00 O +HETATM 1545 H1 HOH B 3 20.912 20.319 6.181 1.00 0.00 H +HETATM 1546 H2 HOH B 3 21.315 19.073 6.943 1.00 0.00 H +HETATM 1547 O HOH B 4 7.399 19.797 23.026 1.00 0.00 O +HETATM 1548 H1 HOH B 4 6.866 20.591 22.987 1.00 0.00 H +HETATM 1549 H2 HOH B 4 8.127 20.025 23.604 1.00 0.00 H +HETATM 1550 O HOH B 5 12.158 7.101 13.756 1.00 0.00 O +HETATM 1551 H1 HOH B 5 12.403 7.993 14.002 1.00 0.00 H +HETATM 1552 H2 HOH B 5 12.972 6.601 13.824 1.00 0.00 H +HETATM 1553 O HOH B 6 6.054 10.016 27.767 1.00 0.00 O +HETATM 1554 H1 HOH B 6 6.817 9.542 27.435 1.00 0.00 H +HETATM 1555 H2 HOH B 6 6.416 10.814 28.152 1.00 0.00 H +HETATM 1556 O HOH B 7 6.866 5.432 15.828 1.00 0.00 O +HETATM 1557 H1 HOH B 7 6.419 4.586 15.840 1.00 0.00 H +HETATM 1558 H2 HOH B 7 7.797 5.211 15.837 1.00 0.00 H +HETATM 1559 O HOH B 8 12.615 9.891 14.356 1.00 0.00 O +HETATM 1560 H1 HOH B 8 13.292 9.824 13.684 1.00 0.00 H +HETATM 1561 H2 HOH B 8 12.846 10.678 14.851 1.00 0.00 H +HETATM 1562 O HOH B 9 6.743 7.006 13.525 1.00 0.00 O +HETATM 1563 H1 HOH B 9 7.669 7.221 13.414 1.00 0.00 H +HETATM 1564 H2 HOH B 9 6.721 6.431 14.290 1.00 0.00 H +HETATM 1565 O HOH B 10 6.660 6.605 -0.027 1.00 0.00 O +HETATM 1566 H1 HOH B 10 5.893 6.034 0.028 1.00 0.00 H +HETATM 1567 H2 HOH B 10 7.287 6.223 0.587 1.00 0.00 H +HETATM 1568 O HOH B 11 1.544 7.806 12.296 1.00 0.00 O +HETATM 1569 H1 HOH B 11 2.472 7.711 12.509 1.00 0.00 H +HETATM 1570 H2 HOH B 11 1.531 8.368 11.522 1.00 0.00 H +HETATM 1571 O HOH B 12 13.425 13.775 1.955 1.00 0.00 O +HETATM 1572 H1 HOH B 12 12.606 13.969 2.410 1.00 0.00 H +HETATM 1573 H2 HOH B 12 13.382 12.836 1.772 1.00 0.00 H +HETATM 1574 O HOH B 13 19.456 1.001 14.982 1.00 0.00 O +HETATM 1575 H1 HOH B 13 20.211 0.739 14.455 1.00 0.00 H +HETATM 1576 H2 HOH B 13 19.822 1.198 15.844 1.00 0.00 H +HETATM 1577 O HOH B 14 6.156 22.828 17.710 1.00 0.00 O +HETATM 1578 H1 HOH B 14 5.580 22.328 17.132 1.00 0.00 H +HETATM 1579 H2 HOH B 14 7.030 22.478 17.539 1.00 0.00 H +HETATM 1580 O HOH B 15 20.861 6.436 0.061 1.00 0.00 O +HETATM 1581 H1 HOH B 15 20.143 5.838 0.268 1.00 0.00 H +HETATM 1582 H2 HOH B 15 21.402 5.954 -0.564 1.00 0.00 H +HETATM 1583 O HOH B 16 23.474 17.408 25.525 1.00 0.00 O +HETATM 1584 H1 HOH B 16 23.301 17.254 26.454 1.00 0.00 H +HETATM 1585 H2 HOH B 16 23.588 18.356 25.456 1.00 0.00 H +HETATM 1586 O HOH B 17 31.273 6.544 0.990 1.00 0.00 O +HETATM 1587 H1 HOH B 17 32.114 6.994 1.070 1.00 0.00 H +HETATM 1588 H2 HOH B 17 30.757 7.102 0.408 1.00 0.00 H +HETATM 1589 O HOH B 18 7.369 14.935 5.811 1.00 0.00 O +HETATM 1590 H1 HOH B 18 7.279 14.044 6.149 1.00 0.00 H +HETATM 1591 H2 HOH B 18 6.938 14.912 4.956 1.00 0.00 H +HETATM 1592 O HOH B 19 24.066 24.359 8.169 1.00 0.00 O +HETATM 1593 H1 HOH B 19 23.565 23.645 7.775 1.00 0.00 H +HETATM 1594 H2 HOH B 19 24.727 24.578 7.512 1.00 0.00 H +HETATM 1595 O HOH B 20 25.920 27.694 18.123 1.00 0.00 O +HETATM 1596 H1 HOH B 20 25.927 28.464 17.554 1.00 0.00 H +HETATM 1597 H2 HOH B 20 26.076 26.957 17.532 1.00 0.00 H +HETATM 1598 O HOH B 21 24.275 16.536 17.797 1.00 0.00 O +HETATM 1599 H1 HOH B 21 24.527 16.538 18.720 1.00 0.00 H +HETATM 1600 H2 HOH B 21 23.584 17.196 17.735 1.00 0.00 H +HETATM 1601 O HOH B 22 26.760 25.593 16.646 1.00 0.00 O +HETATM 1602 H1 HOH B 22 27.117 25.177 15.861 1.00 0.00 H +HETATM 1603 H2 HOH B 22 27.435 25.467 17.312 1.00 0.00 H +HETATM 1604 O HOH B 23 16.231 13.390 12.632 1.00 0.00 O +HETATM 1605 H1 HOH B 23 16.125 13.191 11.701 1.00 0.00 H +HETATM 1606 H2 HOH B 23 16.735 14.204 12.647 1.00 0.00 H +HETATM 1607 O HOH B 24 0.178 6.584 8.992 1.00 0.00 O +HETATM 1608 H1 HOH B 24 0.099 6.481 9.940 1.00 0.00 H +HETATM 1609 H2 HOH B 24 -0.690 6.365 8.654 1.00 0.00 H +HETATM 1610 O HOH B 25 10.996 14.056 9.815 1.00 0.00 O +HETATM 1611 H1 HOH B 25 11.382 14.193 10.680 1.00 0.00 H +HETATM 1612 H2 HOH B 25 11.074 13.114 9.664 1.00 0.00 H +HETATM 1613 O HOH B 26 16.880 1.512 20.268 1.00 0.00 O +HETATM 1614 H1 HOH B 26 17.162 2.340 20.656 1.00 0.00 H +HETATM 1615 H2 HOH B 26 15.949 1.636 20.087 1.00 0.00 H +HETATM 1616 O HOH B 27 21.516 29.850 22.832 1.00 0.00 O +HETATM 1617 H1 HOH B 27 21.444 29.422 21.979 1.00 0.00 H +HETATM 1618 H2 HOH B 27 21.661 29.133 23.449 1.00 0.00 H +HETATM 1619 O HOH B 28 21.487 6.527 26.281 1.00 0.00 O +HETATM 1620 H1 HOH B 28 21.621 5.774 25.706 1.00 0.00 H +HETATM 1621 H2 HOH B 28 20.594 6.817 26.092 1.00 0.00 H +HETATM 1622 O HOH B 29 10.985 19.876 22.390 1.00 0.00 O +HETATM 1623 H1 HOH B 29 10.507 19.925 23.218 1.00 0.00 H +HETATM 1624 H2 HOH B 29 11.254 20.777 22.215 1.00 0.00 H +HETATM 1625 O HOH B 30 6.481 23.971 10.204 1.00 0.00 O +HETATM 1626 H1 HOH B 30 6.213 23.308 9.568 1.00 0.00 H +HETATM 1627 H2 HOH B 30 5.665 24.244 10.624 1.00 0.00 H +HETATM 1628 O HOH B 31 14.203 2.383 20.102 1.00 0.00 O +HETATM 1629 H1 HOH B 31 13.591 1.803 20.554 1.00 0.00 H +HETATM 1630 H2 HOH B 31 13.748 2.633 19.298 1.00 0.00 H +HETATM 1631 O HOH B 32 15.805 1.285 11.911 1.00 0.00 O +HETATM 1632 H1 HOH B 32 16.651 1.578 12.248 1.00 0.00 H +HETATM 1633 H2 HOH B 32 15.241 2.057 11.976 1.00 0.00 H +HETATM 1634 O HOH B 33 20.492 8.175 28.444 1.00 0.00 O +HETATM 1635 H1 HOH B 33 20.553 7.739 29.293 1.00 0.00 H +HETATM 1636 H2 HOH B 33 21.221 7.817 27.937 1.00 0.00 H +HETATM 1637 O HOH B 34 12.186 1.186 27.786 1.00 0.00 O +HETATM 1638 H1 HOH B 34 12.565 0.319 27.936 1.00 0.00 H +HETATM 1639 H2 HOH B 34 12.367 1.669 28.592 1.00 0.00 H +HETATM 1640 O HOH B 35 16.163 10.981 0.981 1.00 0.00 O +HETATM 1641 H1 HOH B 35 16.738 10.326 1.377 1.00 0.00 H +HETATM 1642 H2 HOH B 35 16.100 10.719 0.062 1.00 0.00 H +HETATM 1643 O HOH B 36 17.927 19.318 20.794 1.00 0.00 O +HETATM 1644 H1 HOH B 36 17.048 18.960 20.920 1.00 0.00 H +HETATM 1645 H2 HOH B 36 18.515 18.612 21.063 1.00 0.00 H +HETATM 1646 O HOH B 37 15.117 3.358 29.118 1.00 0.00 O +HETATM 1647 H1 HOH B 37 14.309 2.963 29.447 1.00 0.00 H +HETATM 1648 H2 HOH B 37 14.834 4.178 28.712 1.00 0.00 H +HETATM 1649 O HOH B 38 8.196 22.984 20.108 1.00 0.00 O +HETATM 1650 H1 HOH B 38 8.126 23.839 19.683 1.00 0.00 H +HETATM 1651 H2 HOH B 38 7.340 22.846 20.512 1.00 0.00 H +HETATM 1652 O HOH B 39 8.756 21.818 17.668 1.00 0.00 O +HETATM 1653 H1 HOH B 39 9.020 20.898 17.688 1.00 0.00 H +HETATM 1654 H2 HOH B 39 8.752 22.087 18.586 1.00 0.00 H +HETATM 1655 O HOH B 40 21.658 4.093 25.085 1.00 0.00 O +HETATM 1656 H1 HOH B 40 21.931 3.659 25.893 1.00 0.00 H +HETATM 1657 H2 HOH B 40 21.412 3.377 24.499 1.00 0.00 H +HETATM 1658 O HOH B 41 9.444 4.610 15.919 1.00 0.00 O +HETATM 1659 H1 HOH B 41 10.154 3.971 15.856 1.00 0.00 H +HETATM 1660 H2 HOH B 41 9.874 5.418 16.199 1.00 0.00 H +HETATM 1661 O HOH B 42 11.333 2.501 15.620 1.00 0.00 O +HETATM 1662 H1 HOH B 42 11.615 2.534 14.705 1.00 0.00 H +HETATM 1663 H2 HOH B 42 10.829 1.690 15.687 1.00 0.00 H +HETATM 1664 O HOH B 43 -0.576 10.973 18.611 1.00 0.00 O +HETATM 1665 H1 HOH B 43 -1.127 10.194 18.532 1.00 0.00 H +HETATM 1666 H2 HOH B 43 0.305 10.666 18.396 1.00 0.00 H +HETATM 1667 O HOH B 44 17.823 26.990 5.957 1.00 0.00 O +HETATM 1668 H1 HOH B 44 17.449 26.890 6.832 1.00 0.00 H +HETATM 1669 H2 HOH B 44 17.384 26.321 5.431 1.00 0.00 H +HETATM 1670 O HOH B 45 6.597 9.979 16.582 1.00 0.00 O +HETATM 1671 H1 HOH B 45 5.826 10.529 16.719 1.00 0.00 H +HETATM 1672 H2 HOH B 45 6.254 9.085 16.560 1.00 0.00 H +HETATM 1673 O HOH B 46 5.661 17.197 13.224 1.00 0.00 O +HETATM 1674 H1 HOH B 46 5.338 17.441 14.091 1.00 0.00 H +HETATM 1675 H2 HOH B 46 4.898 17.280 12.651 1.00 0.00 H +HETATM 1676 O HOH B 47 12.664 17.736 22.165 1.00 0.00 O +HETATM 1677 H1 HOH B 47 12.083 18.493 22.086 1.00 0.00 H +HETATM 1678 H2 HOH B 47 12.659 17.526 23.098 1.00 0.00 H +HETATM 1679 O HOH B 48 4.868 8.533 29.759 1.00 0.00 O +HETATM 1680 H1 HOH B 48 5.599 7.940 29.932 1.00 0.00 H +HETATM 1681 H2 HOH B 48 5.155 9.058 29.012 1.00 0.00 H +HETATM 1682 O HOH B 49 5.857 22.215 22.896 1.00 0.00 O +HETATM 1683 H1 HOH B 49 5.689 23.118 23.168 1.00 0.00 H +HETATM 1684 H2 HOH B 49 5.635 22.200 21.965 1.00 0.00 H +HETATM 1685 O HOH B 50 8.075 23.584 5.944 1.00 0.00 O +HETATM 1686 H1 HOH B 50 8.957 23.223 5.858 1.00 0.00 H +HETATM 1687 H2 HOH B 50 8.130 24.176 6.694 1.00 0.00 H +HETATM 1688 O HOH B 51 9.415 7.504 13.759 1.00 0.00 O +HETATM 1689 H1 HOH B 51 10.289 7.153 13.585 1.00 0.00 H +HETATM 1690 H2 HOH B 51 9.545 8.132 14.469 1.00 0.00 H +HETATM 1691 O HOH B 52 7.239 17.294 24.279 1.00 0.00 O +HETATM 1692 H1 HOH B 52 6.374 16.895 24.189 1.00 0.00 H +HETATM 1693 H2 HOH B 52 7.198 18.080 23.734 1.00 0.00 H +HETATM 1694 O HOH B 53 24.572 25.705 10.517 1.00 0.00 O +HETATM 1695 H1 HOH B 53 24.213 26.579 10.366 1.00 0.00 H +HETATM 1696 H2 HOH B 53 24.319 25.204 9.741 1.00 0.00 H +HETATM 1697 O HOH B 54 26.495 14.303 11.250 1.00 0.00 O +HETATM 1698 H1 HOH B 54 25.586 14.568 11.111 1.00 0.00 H +HETATM 1699 H2 HOH B 54 26.542 14.084 12.180 1.00 0.00 H +HETATM 1700 O HOH B 55 4.308 5.251 30.835 1.00 0.00 O +HETATM 1701 H1 HOH B 55 3.839 5.982 31.239 1.00 0.00 H +HETATM 1702 H2 HOH B 55 3.621 4.705 30.454 1.00 0.00 H +HETATM 1703 O HOH B 56 17.768 8.961 1.837 1.00 0.00 O +HETATM 1704 H1 HOH B 56 18.269 8.632 2.583 1.00 0.00 H +HETATM 1705 H2 HOH B 56 18.041 8.410 1.103 1.00 0.00 H +HETATM 1706 O HOH B 57 26.655 13.684 17.532 1.00 0.00 O +HETATM 1707 H1 HOH B 57 25.960 14.023 16.967 1.00 0.00 H +HETATM 1708 H2 HOH B 57 27.438 13.695 16.982 1.00 0.00 H +HETATM 1709 O HOH B 58 4.630 21.238 16.161 1.00 0.00 O +HETATM 1710 H1 HOH B 58 4.563 20.302 16.350 1.00 0.00 H +HETATM 1711 H2 HOH B 58 4.140 21.354 15.347 1.00 0.00 H +HETATM 1712 O HOH B 59 18.404 15.675 6.456 1.00 0.00 O +HETATM 1713 H1 HOH B 59 18.226 15.574 5.521 1.00 0.00 H +HETATM 1714 H2 HOH B 59 18.413 14.780 6.796 1.00 0.00 H +HETATM 1715 O HOH B 60 9.570 11.187 23.002 1.00 0.00 O +HETATM 1716 H1 HOH B 60 8.996 11.952 22.967 1.00 0.00 H +HETATM 1717 H2 HOH B 60 10.383 11.477 22.589 1.00 0.00 H +HETATM 1718 O HOH B 61 23.347 27.484 19.109 1.00 0.00 O +HETATM 1719 H1 HOH B 61 23.006 27.303 18.233 1.00 0.00 H +HETATM 1720 H2 HOH B 61 24.291 27.579 18.984 1.00 0.00 H +HETATM 1721 O HOH B 62 11.976 14.175 12.360 1.00 0.00 O +HETATM 1722 H1 HOH B 62 12.683 14.159 13.005 1.00 0.00 H +HETATM 1723 H2 HOH B 62 11.175 14.119 12.882 1.00 0.00 H +HETATM 1724 O HOH B 63 3.817 17.814 11.320 1.00 0.00 O +HETATM 1725 H1 HOH B 63 4.565 18.194 10.858 1.00 0.00 H +HETATM 1726 H2 HOH B 63 3.098 17.858 10.690 1.00 0.00 H +HETATM 1727 O HOH B 64 16.013 9.935 29.021 1.00 0.00 O +HETATM 1728 H1 HOH B 64 15.343 9.352 28.665 1.00 0.00 H +HETATM 1729 H2 HOH B 64 16.542 10.184 28.263 1.00 0.00 H +HETATM 1730 O HOH B 65 17.003 10.937 13.650 1.00 0.00 O +HETATM 1731 H1 HOH B 65 16.660 10.822 14.536 1.00 0.00 H +HETATM 1732 H2 HOH B 65 16.760 11.832 13.413 1.00 0.00 H +HETATM 1733 O HOH B 66 9.028 21.796 8.386 1.00 0.00 O +HETATM 1734 H1 HOH B 66 8.114 21.982 8.169 1.00 0.00 H +HETATM 1735 H2 HOH B 66 9.122 22.082 9.294 1.00 0.00 H +HETATM 1736 O HOH B 67 20.854 12.119 19.644 1.00 0.00 O +HETATM 1737 H1 HOH B 67 21.148 11.434 20.244 1.00 0.00 H +HETATM 1738 H2 HOH B 67 20.768 12.899 20.192 1.00 0.00 H +HETATM 1739 O HOH B 68 23.522 20.182 25.783 1.00 0.00 O +HETATM 1740 H1 HOH B 68 22.665 20.104 26.204 1.00 0.00 H +HETATM 1741 H2 HOH B 68 24.040 20.710 26.391 1.00 0.00 H +HETATM 1742 O HOH B 69 3.101 14.989 25.178 1.00 0.00 O +HETATM 1743 H1 HOH B 69 2.483 15.381 25.795 1.00 0.00 H +HETATM 1744 H2 HOH B 69 2.941 14.047 25.243 1.00 0.00 H +HETATM 1745 O HOH B 70 4.648 7.156 22.206 1.00 0.00 O +HETATM 1746 H1 HOH B 70 4.776 7.372 21.282 1.00 0.00 H +HETATM 1747 H2 HOH B 70 5.267 6.446 22.374 1.00 0.00 H +HETATM 1748 O HOH B 71 5.442 22.996 5.667 1.00 0.00 O +HETATM 1749 H1 HOH B 71 5.164 23.696 5.076 1.00 0.00 H +HETATM 1750 H2 HOH B 71 6.395 23.083 5.711 1.00 0.00 H +HETATM 1751 O HOH B 72 10.316 11.619 19.327 1.00 0.00 O +HETATM 1752 H1 HOH B 72 9.570 11.867 18.781 1.00 0.00 H +HETATM 1753 H2 HOH B 72 10.478 10.702 19.110 1.00 0.00 H +HETATM 1754 O HOH B 73 19.776 21.326 5.187 1.00 0.00 O +HETATM 1755 H1 HOH B 73 19.190 22.013 5.505 1.00 0.00 H +HETATM 1756 H2 HOH B 73 20.478 21.798 4.739 1.00 0.00 H +HETATM 1757 O HOH B 74 2.554 23.581 24.783 1.00 0.00 O +HETATM 1758 H1 HOH B 74 3.328 24.017 24.428 1.00 0.00 H +HETATM 1759 H2 HOH B 74 2.871 22.724 25.070 1.00 0.00 H +HETATM 1760 O HOH B 75 13.626 25.117 11.933 1.00 0.00 O +HETATM 1761 H1 HOH B 75 13.926 24.291 11.553 1.00 0.00 H +HETATM 1762 H2 HOH B 75 12.677 25.015 12.009 1.00 0.00 H +HETATM 1763 O HOH B 76 11.613 12.423 21.567 1.00 0.00 O +HETATM 1764 H1 HOH B 76 11.812 13.356 21.488 1.00 0.00 H +HETATM 1765 H2 HOH B 76 11.213 12.191 20.729 1.00 0.00 H +HETATM 1766 O HOH B 77 16.891 26.576 8.540 1.00 0.00 O +HETATM 1767 H1 HOH B 77 17.694 26.477 9.052 1.00 0.00 H +HETATM 1768 H2 HOH B 77 16.212 26.751 9.191 1.00 0.00 H +HETATM 1769 O HOH B 78 26.718 24.935 23.866 1.00 0.00 O +HETATM 1770 H1 HOH B 78 26.570 24.063 24.231 1.00 0.00 H +HETATM 1771 H2 HOH B 78 27.576 25.194 24.202 1.00 0.00 H +HETATM 1772 O HOH B 79 12.038 -0.105 11.751 1.00 0.00 O +HETATM 1773 H1 HOH B 79 11.601 -0.610 11.065 1.00 0.00 H +HETATM 1774 H2 HOH B 79 12.907 -0.499 11.822 1.00 0.00 H +HETATM 1775 O HOH B 80 10.571 22.222 6.155 1.00 0.00 O +HETATM 1776 H1 HOH B 80 10.187 22.227 7.033 1.00 0.00 H +HETATM 1777 H2 HOH B 80 10.569 21.300 5.898 1.00 0.00 H +HETATM 1778 O HOH B 81 15.226 18.406 21.303 1.00 0.00 O +HETATM 1779 H1 HOH B 81 15.175 19.362 21.309 1.00 0.00 H +HETATM 1780 H2 HOH B 81 14.341 18.117 21.525 1.00 0.00 H +HETATM 1781 O HOH B 82 14.607 29.410 12.038 1.00 0.00 O +HETATM 1782 H1 HOH B 82 15.040 30.239 11.837 1.00 0.00 H +HETATM 1783 H2 HOH B 82 14.874 29.211 12.935 1.00 0.00 H +HETATM 1784 O HOH B 83 9.484 17.667 25.745 1.00 0.00 O +HETATM 1785 H1 HOH B 83 8.698 17.438 25.249 1.00 0.00 H +HETATM 1786 H2 HOH B 83 9.633 16.915 26.318 1.00 0.00 H +HETATM 1787 O HOH B 84 8.852 8.862 24.172 1.00 0.00 O +HETATM 1788 H1 HOH B 84 9.185 9.687 23.819 1.00 0.00 H +HETATM 1789 H2 HOH B 84 8.056 8.690 23.670 1.00 0.00 H +HETATM 1790 O HOH B 85 11.186 23.689 11.890 1.00 0.00 O +HETATM 1791 H1 HOH B 85 10.304 23.419 11.634 1.00 0.00 H +HETATM 1792 H2 HOH B 85 11.766 23.190 11.315 1.00 0.00 H +HETATM 1793 O HOH B 86 11.248 24.286 14.590 1.00 0.00 O +HETATM 1794 H1 HOH B 86 11.116 24.023 13.679 1.00 0.00 H +HETATM 1795 H2 HOH B 86 12.130 24.658 14.606 1.00 0.00 H +HETATM 1796 O HOH B 87 27.679 24.234 14.479 1.00 0.00 O +HETATM 1797 H1 HOH B 87 27.307 24.438 13.621 1.00 0.00 H +HETATM 1798 H2 HOH B 87 27.360 23.354 14.676 1.00 0.00 H +HETATM 1799 O HOH B 88 4.278 7.523 12.444 1.00 0.00 O +HETATM 1800 H1 HOH B 88 5.160 7.402 12.795 1.00 0.00 H +HETATM 1801 H2 HOH B 88 4.278 7.033 11.622 1.00 0.00 H +HETATM 1802 O HOH B 89 21.802 22.801 4.093 1.00 0.00 O +HETATM 1803 H1 HOH B 89 22.400 22.521 3.400 1.00 0.00 H +HETATM 1804 H2 HOH B 89 21.565 23.698 3.857 1.00 0.00 H +HETATM 1805 O HOH B 90 15.253 27.023 10.702 1.00 0.00 O +HETATM 1806 H1 HOH B 90 14.710 26.392 11.175 1.00 0.00 H +HETATM 1807 H2 HOH B 90 15.023 27.870 11.083 1.00 0.00 H +HETATM 1808 O HOH B 91 21.958 27.269 23.770 1.00 0.00 O +HETATM 1809 H1 HOH B 91 22.859 26.949 23.815 1.00 0.00 H +HETATM 1810 H2 HOH B 91 21.720 27.189 22.847 1.00 0.00 H +HETATM 1811 O HOH B 92 19.361 7.931 3.789 1.00 0.00 O +HETATM 1812 H1 HOH B 92 20.218 7.772 3.394 1.00 0.00 H +HETATM 1813 H2 HOH B 92 19.439 7.586 4.678 1.00 0.00 H +HETATM 1814 O HOH B 93 9.978 19.532 6.707 1.00 0.00 O +HETATM 1815 H1 HOH B 93 9.563 20.054 7.393 1.00 0.00 H +HETATM 1816 H2 HOH B 93 9.459 18.729 6.668 1.00 0.00 H +HETATM 1817 O HOH B 94 18.497 8.295 23.795 1.00 0.00 O +HETATM 1818 H1 HOH B 94 18.509 7.417 23.412 1.00 0.00 H +HETATM 1819 H2 HOH B 94 18.613 8.149 24.734 1.00 0.00 H +HETATM 1820 O HOH B 95 28.653 9.240 22.502 1.00 0.00 O +HETATM 1821 H1 HOH B 95 28.981 9.261 23.401 1.00 0.00 H +HETATM 1822 H2 HOH B 95 28.808 10.124 22.169 1.00 0.00 H +HETATM 1823 O HOH B 96 5.443 12.375 17.706 1.00 0.00 O +HETATM 1824 H1 HOH B 96 6.399 12.329 17.739 1.00 0.00 H +HETATM 1825 H2 HOH B 96 5.193 12.765 18.543 1.00 0.00 H +HETATM 1826 O HOH B 97 23.601 28.257 10.080 1.00 0.00 O +HETATM 1827 H1 HOH B 97 23.762 28.834 10.827 1.00 0.00 H +HETATM 1828 H2 HOH B 97 23.310 28.843 9.382 1.00 0.00 H +HETATM 1829 O HOH B 98 20.089 16.612 24.109 1.00 0.00 O +HETATM 1830 H1 HOH B 98 20.848 16.030 24.144 1.00 0.00 H +HETATM 1831 H2 HOH B 98 19.876 16.672 23.177 1.00 0.00 H +HETATM 1832 O HOH B 99 22.022 0.703 13.910 1.00 0.00 O +HETATM 1833 H1 HOH B 99 22.457 1.186 14.613 1.00 0.00 H +HETATM 1834 H2 HOH B 99 21.940 1.337 13.198 1.00 0.00 H +HETATM 1835 O HOH B 100 8.782 17.063 6.787 1.00 0.00 O +HETATM 1836 H1 HOH B 100 8.239 16.345 6.462 1.00 0.00 H +HETATM 1837 H2 HOH B 100 9.673 16.712 6.780 1.00 0.00 H +HETATM 1838 O HOH B 101 4.746 16.980 2.170 1.00 0.00 O +HETATM 1839 H1 HOH B 101 4.221 17.147 1.388 1.00 0.00 H +HETATM 1840 H2 HOH B 101 4.396 17.582 2.827 1.00 0.00 H +HETATM 1841 O HOH B 102 22.184 5.219 28.588 1.00 0.00 O +HETATM 1842 H1 HOH B 102 22.047 5.717 27.782 1.00 0.00 H +HETATM 1843 H2 HOH B 102 22.336 4.321 28.293 1.00 0.00 H +HETATM 1844 O HOH B 103 8.918 19.085 20.734 1.00 0.00 O +HETATM 1845 H1 HOH B 103 9.726 19.325 21.189 1.00 0.00 H +HETATM 1846 H2 HOH B 103 8.227 19.226 21.381 1.00 0.00 H +HETATM 1847 O HOH B 104 28.783 11.586 21.049 1.00 0.00 O +HETATM 1848 H1 HOH B 104 27.922 11.869 20.741 1.00 0.00 H +HETATM 1849 H2 HOH B 104 29.302 11.485 20.251 1.00 0.00 H +HETATM 1850 O HOH B 105 1.441 9.005 9.834 1.00 0.00 O +HETATM 1851 H1 HOH B 105 2.203 9.171 9.281 1.00 0.00 H +HETATM 1852 H2 HOH B 105 0.949 8.328 9.369 1.00 0.00 H +HETATM 1853 O HOH B 106 18.042 14.711 3.900 1.00 0.00 O +HETATM 1854 H1 HOH B 106 18.619 13.949 3.962 1.00 0.00 H +HETATM 1855 H2 HOH B 106 17.324 14.423 3.336 1.00 0.00 H +HETATM 1856 O HOH B 107 9.584 20.156 24.732 1.00 0.00 O +HETATM 1857 H1 HOH B 107 9.596 19.285 25.129 1.00 0.00 H +HETATM 1858 H2 HOH B 107 9.810 20.749 25.448 1.00 0.00 H +HETATM 1859 O HOH B 108 3.429 21.184 4.969 1.00 0.00 O +HETATM 1860 H1 HOH B 108 2.723 21.829 5.014 1.00 0.00 H +HETATM 1861 H2 HOH B 108 4.216 21.674 5.208 1.00 0.00 H +HETATM 1862 O HOH B 109 12.832 2.329 -0.296 1.00 0.00 O +HETATM 1863 H1 HOH B 109 12.159 2.897 0.079 1.00 0.00 H +HETATM 1864 H2 HOH B 109 13.135 1.798 0.440 1.00 0.00 H +HETATM 1865 O HOH B 110 9.342 24.325 16.568 1.00 0.00 O +HETATM 1866 H1 HOH B 110 9.245 23.394 16.768 1.00 0.00 H +HETATM 1867 H2 HOH B 110 9.981 24.353 15.856 1.00 0.00 H +HETATM 1868 O HOH B 111 2.560 6.209 7.772 1.00 0.00 O +HETATM 1869 H1 HOH B 111 1.716 6.326 8.207 1.00 0.00 H +HETATM 1870 H2 HOH B 111 2.372 5.625 7.037 1.00 0.00 H +HETATM 1871 O HOH B 112 14.525 5.654 14.154 1.00 0.00 O +HETATM 1872 H1 HOH B 112 14.368 5.148 14.951 1.00 0.00 H +HETATM 1873 H2 HOH B 112 15.421 5.975 14.245 1.00 0.00 H +HETATM 1874 O HOH B 113 17.600 2.663 29.946 1.00 0.00 O +HETATM 1875 H1 HOH B 113 16.740 2.971 29.660 1.00 0.00 H +HETATM 1876 H2 HOH B 113 17.668 1.776 29.593 1.00 0.00 H +HETATM 1877 O HOH B 114 9.225 19.099 18.061 1.00 0.00 O +HETATM 1878 H1 HOH B 114 9.158 19.123 19.016 1.00 0.00 H +HETATM 1879 H2 HOH B 114 8.612 18.414 17.795 1.00 0.00 H +HETATM 1880 O HOH B 115 9.591 14.004 13.662 1.00 0.00 O +HETATM 1881 H1 HOH B 115 9.083 13.261 13.338 1.00 0.00 H +HETATM 1882 H2 HOH B 115 8.992 14.748 13.604 1.00 0.00 H +HETATM 1883 O HOH B 116 14.276 3.497 12.367 1.00 0.00 O +HETATM 1884 H1 HOH B 116 14.336 4.318 12.855 1.00 0.00 H +HETATM 1885 H2 HOH B 116 13.369 3.215 12.484 1.00 0.00 H +HETATM 1886 O HOH B 117 29.853 6.396 11.645 1.00 0.00 O +HETATM 1887 H1 HOH B 117 29.196 6.938 12.082 1.00 0.00 H +HETATM 1888 H2 HOH B 117 30.689 6.711 11.987 1.00 0.00 H +HETATM 1889 O HOH B 118 14.044 8.491 27.766 1.00 0.00 O +HETATM 1890 H1 HOH B 118 13.311 9.105 27.812 1.00 0.00 H +HETATM 1891 H2 HOH B 118 13.827 7.913 27.034 1.00 0.00 H +HETATM 1892 O HOH B 119 -2.496 25.996 19.090 1.00 0.00 O +HETATM 1893 H1 HOH B 119 -3.057 26.764 18.988 1.00 0.00 H +HETATM 1894 H2 HOH B 119 -2.877 25.515 19.825 1.00 0.00 H +HETATM 1895 O HOH B 120 16.159 13.470 2.342 1.00 0.00 O +HETATM 1896 H1 HOH B 120 16.229 12.661 1.834 1.00 0.00 H +HETATM 1897 H2 HOH B 120 15.251 13.749 2.222 1.00 0.00 H +HETATM 1898 O HOH B 121 14.100 14.155 14.130 1.00 0.00 O +HETATM 1899 H1 HOH B 121 14.384 15.009 14.454 1.00 0.00 H +HETATM 1900 H2 HOH B 121 14.833 13.842 13.601 1.00 0.00 H +HETATM 1901 O HOH B 122 4.003 14.771 17.165 1.00 0.00 O +HETATM 1902 H1 HOH B 122 4.505 13.961 17.081 1.00 0.00 H +HETATM 1903 H2 HOH B 122 3.263 14.657 16.569 1.00 0.00 H +HETATM 1904 O HOH B 123 29.453 8.901 25.142 1.00 0.00 O +HETATM 1905 H1 HOH B 123 30.319 8.542 25.336 1.00 0.00 H +HETATM 1906 H2 HOH B 123 28.848 8.345 25.633 1.00 0.00 H +HETATM 1907 O HOH B 124 6.328 14.996 3.242 1.00 0.00 O +HETATM 1908 H1 HOH B 124 6.906 14.879 2.488 1.00 0.00 H +HETATM 1909 H2 HOH B 124 5.714 15.678 2.970 1.00 0.00 H +HETATM 1910 O HOH B 125 7.601 25.124 18.506 1.00 0.00 O +HETATM 1911 H1 HOH B 125 8.278 25.096 17.830 1.00 0.00 H +HETATM 1912 H2 HOH B 125 6.882 24.604 18.148 1.00 0.00 H +HETATM 1913 O HOH B 126 22.899 22.411 6.640 1.00 0.00 O +HETATM 1914 H1 HOH B 126 22.620 21.514 6.826 1.00 0.00 H +HETATM 1915 H2 HOH B 126 22.534 22.602 5.776 1.00 0.00 H +HETATM 1916 O HOH B 127 22.786 2.327 16.015 1.00 0.00 O +HETATM 1917 H1 HOH B 127 22.074 2.046 16.590 1.00 0.00 H +HETATM 1918 H2 HOH B 127 22.797 3.281 16.095 1.00 0.00 H +HETATM 1919 O HOH B 128 21.029 8.309 13.148 1.00 0.00 O +HETATM 1920 H1 HOH B 128 20.550 9.136 13.191 1.00 0.00 H +HETATM 1921 H2 HOH B 128 21.008 8.067 12.222 1.00 0.00 H +TER 1922 HOH B 128 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 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1112 1106 +CONECT 1113 1106 +CONECT 1114 1107 +CONECT 1115 1107 +CONECT 1116 1108 +CONECT 1117 1118 1121 1122 1123 +CONECT 1118 1117 1119 1124 1125 +CONECT 1119 1118 1120 1126 1127 +CONECT 1120 1119 1128 +CONECT 1121 1117 +CONECT 1122 1117 +CONECT 1123 1117 +CONECT 1124 1118 +CONECT 1125 1118 +CONECT 1126 1119 +CONECT 1127 1119 +CONECT 1128 1120 +CONECT 1129 1130 1133 1134 1135 +CONECT 1130 1129 1131 1136 1137 +CONECT 1131 1130 1132 1138 1139 +CONECT 1132 1131 1140 +CONECT 1133 1129 +CONECT 1134 1129 +CONECT 1135 1129 +CONECT 1136 1130 +CONECT 1137 1130 +CONECT 1138 1131 +CONECT 1139 1131 +CONECT 1140 1132 +CONECT 1141 1142 1145 1146 1147 +CONECT 1142 1141 1143 1148 1149 +CONECT 1143 1142 1144 1150 1151 +CONECT 1144 1143 1152 +CONECT 1145 1141 +CONECT 1146 1141 +CONECT 1147 1141 +CONECT 1148 1142 +CONECT 1149 1142 +CONECT 1150 1143 +CONECT 1151 1143 +CONECT 1152 1144 +CONECT 1153 1154 1157 1158 1159 +CONECT 1154 1153 1155 1160 1161 +CONECT 1155 1154 1156 1162 1163 +CONECT 1156 1155 1164 +CONECT 1157 1153 +CONECT 1158 1153 +CONECT 1159 1153 +CONECT 1160 1154 +CONECT 1161 1154 +CONECT 1162 1155 +CONECT 1163 1155 +CONECT 1164 1156 +CONECT 1165 1166 1169 1170 1171 +CONECT 1166 1165 1167 1172 1173 +CONECT 1167 1166 1168 1174 1175 +CONECT 1168 1167 1176 +CONECT 1169 1165 +CONECT 1170 1165 +CONECT 1171 1165 +CONECT 1172 1166 +CONECT 1173 1166 +CONECT 1174 1167 +CONECT 1175 1167 +CONECT 1176 1168 +CONECT 1177 1178 1181 1182 1183 +CONECT 1178 1177 1179 1184 1185 +CONECT 1179 1178 1180 1186 1187 +CONECT 1180 1179 1188 +CONECT 1181 1177 +CONECT 1182 1177 +CONECT 1183 1177 +CONECT 1184 1178 +CONECT 1185 1178 +CONECT 1186 1179 +CONECT 1187 1179 +CONECT 1188 1180 +CONECT 1189 1190 1193 1194 1195 +CONECT 1190 1189 1191 1196 1197 +CONECT 1191 1190 1192 1198 1199 +CONECT 1192 1191 1200 +CONECT 1193 1189 +CONECT 1194 1189 +CONECT 1195 1189 +CONECT 1196 1190 +CONECT 1197 1190 +CONECT 1198 1191 +CONECT 1199 1191 +CONECT 1200 1192 +CONECT 1201 1202 1205 1206 1207 +CONECT 1202 1201 1203 1208 1209 +CONECT 1203 1202 1204 1210 1211 +CONECT 1204 1203 1212 +CONECT 1205 1201 +CONECT 1206 1201 +CONECT 1207 1201 +CONECT 1208 1202 +CONECT 1209 1202 +CONECT 1210 1203 +CONECT 1211 1203 +CONECT 1212 1204 +CONECT 1213 1214 1217 1218 1219 +CONECT 1214 1213 1215 1220 1221 +CONECT 1215 1214 1216 1222 1223 +CONECT 1216 1215 1224 +CONECT 1217 1213 +CONECT 1218 1213 +CONECT 1219 1213 +CONECT 1220 1214 +CONECT 1221 1214 +CONECT 1222 1215 +CONECT 1223 1215 +CONECT 1224 1216 +CONECT 1225 1226 1229 1230 1231 +CONECT 1226 1225 1227 1232 1233 +CONECT 1227 1226 1228 1234 1235 +CONECT 1228 1227 1236 +CONECT 1229 1225 +CONECT 1230 1225 +CONECT 1231 1225 +CONECT 1232 1226 +CONECT 1233 1226 +CONECT 1234 1227 +CONECT 1235 1227 +CONECT 1236 1228 +CONECT 1237 1238 1241 1242 1243 +CONECT 1238 1237 1239 1244 1245 +CONECT 1239 1238 1240 1246 1247 +CONECT 1240 1239 1248 +CONECT 1241 1237 +CONECT 1242 1237 +CONECT 1243 1237 +CONECT 1244 1238 +CONECT 1245 1238 +CONECT 1246 1239 +CONECT 1247 1239 +CONECT 1248 1240 +CONECT 1249 1250 1253 1254 1255 +CONECT 1250 1249 1251 1256 1257 +CONECT 1251 1250 1252 1258 1259 +CONECT 1252 1251 1260 +CONECT 1253 1249 +CONECT 1254 1249 +CONECT 1255 1249 +CONECT 1256 1250 +CONECT 1257 1250 +CONECT 1258 1251 +CONECT 1259 1251 +CONECT 1260 1252 +CONECT 1261 1262 1265 1266 1267 +CONECT 1262 1261 1263 1268 1269 +CONECT 1263 1262 1264 1270 1271 +CONECT 1264 1263 1272 +CONECT 1265 1261 +CONECT 1266 1261 +CONECT 1267 1261 +CONECT 1268 1262 +CONECT 1269 1262 +CONECT 1270 1263 +CONECT 1271 1263 +CONECT 1272 1264 +CONECT 1273 1274 1277 1278 1279 +CONECT 1274 1273 1275 1280 1281 +CONECT 1275 1274 1276 1282 1283 +CONECT 1276 1275 1284 +CONECT 1277 1273 +CONECT 1278 1273 +CONECT 1279 1273 +CONECT 1280 1274 +CONECT 1281 1274 +CONECT 1282 1275 +CONECT 1283 1275 +CONECT 1284 1276 +CONECT 1285 1286 1289 1290 1291 +CONECT 1286 1285 1287 1292 1293 +CONECT 1287 1286 1288 1294 1295 +CONECT 1288 1287 1296 +CONECT 1289 1285 +CONECT 1290 1285 +CONECT 1291 1285 +CONECT 1292 1286 +CONECT 1293 1286 +CONECT 1294 1287 +CONECT 1295 1287 +CONECT 1296 1288 +CONECT 1297 1298 1301 1302 1303 +CONECT 1298 1297 1299 1304 1305 +CONECT 1299 1298 1300 1306 1307 +CONECT 1300 1299 1308 +CONECT 1301 1297 +CONECT 1302 1297 +CONECT 1303 1297 +CONECT 1304 1298 +CONECT 1305 1298 +CONECT 1306 1299 +CONECT 1307 1299 +CONECT 1308 1300 +CONECT 1309 1310 1313 1314 1315 +CONECT 1310 1309 1311 1316 1317 +CONECT 1311 1310 1312 1318 1319 +CONECT 1312 1311 1320 +CONECT 1313 1309 +CONECT 1314 1309 +CONECT 1315 1309 +CONECT 1316 1310 +CONECT 1317 1310 +CONECT 1318 1311 +CONECT 1319 1311 +CONECT 1320 1312 +CONECT 1321 1322 1325 1326 1327 +CONECT 1322 1321 1323 1328 1329 +CONECT 1323 1322 1324 1330 1331 +CONECT 1324 1323 1332 +CONECT 1325 1321 +CONECT 1326 1321 +CONECT 1327 1321 +CONECT 1328 1322 +CONECT 1329 1322 +CONECT 1330 1323 +CONECT 1331 1323 +CONECT 1332 1324 +CONECT 1333 1334 1337 1338 1339 +CONECT 1334 1333 1335 1340 1341 +CONECT 1335 1334 1336 1342 1343 +CONECT 1336 1335 1344 +CONECT 1337 1333 +CONECT 1338 1333 +CONECT 1339 1333 +CONECT 1340 1334 +CONECT 1341 1334 +CONECT 1342 1335 +CONECT 1343 1335 +CONECT 1344 1336 +CONECT 1345 1346 1349 1350 1351 +CONECT 1346 1345 1347 1352 1353 +CONECT 1347 1346 1348 1354 1355 +CONECT 1348 1347 1356 +CONECT 1349 1345 +CONECT 1350 1345 +CONECT 1351 1345 +CONECT 1352 1346 +CONECT 1353 1346 +CONECT 1354 1347 +CONECT 1355 1347 +CONECT 1356 1348 +CONECT 1357 1358 1361 1362 1363 +CONECT 1358 1357 1359 1364 1365 +CONECT 1359 1358 1360 1366 1367 +CONECT 1360 1359 1368 +CONECT 1361 1357 +CONECT 1362 1357 +CONECT 1363 1357 +CONECT 1364 1358 +CONECT 1365 1358 +CONECT 1366 1359 +CONECT 1367 1359 +CONECT 1368 1360 +CONECT 1369 1370 1373 1374 1375 +CONECT 1370 1369 1371 1376 1377 +CONECT 1371 1370 1372 1378 1379 +CONECT 1372 1371 1380 +CONECT 1373 1369 +CONECT 1374 1369 +CONECT 1375 1369 +CONECT 1376 1370 +CONECT 1377 1370 +CONECT 1378 1371 +CONECT 1379 1371 +CONECT 1380 1372 +CONECT 1381 1382 1385 1386 1387 +CONECT 1382 1381 1383 1388 1389 +CONECT 1383 1382 1384 1390 1391 +CONECT 1384 1383 1392 +CONECT 1385 1381 +CONECT 1386 1381 +CONECT 1387 1381 +CONECT 1388 1382 +CONECT 1389 1382 +CONECT 1390 1383 +CONECT 1391 1383 +CONECT 1392 1384 +CONECT 1393 1394 1397 1398 1399 +CONECT 1394 1393 1395 1400 1401 +CONECT 1395 1394 1396 1402 1403 +CONECT 1396 1395 1404 +CONECT 1397 1393 +CONECT 1398 1393 +CONECT 1399 1393 +CONECT 1400 1394 +CONECT 1401 1394 +CONECT 1402 1395 +CONECT 1403 1395 +CONECT 1404 1396 +CONECT 1405 1406 1409 1410 1411 +CONECT 1406 1405 1407 1412 1413 +CONECT 1407 1406 1408 1414 1415 +CONECT 1408 1407 1416 +CONECT 1409 1405 +CONECT 1410 1405 +CONECT 1411 1405 +CONECT 1412 1406 +CONECT 1413 1406 +CONECT 1414 1407 +CONECT 1415 1407 +CONECT 1416 1408 +CONECT 1417 1418 1421 1422 1423 +CONECT 1418 1417 1419 1424 1425 +CONECT 1419 1418 1420 1426 1427 +CONECT 1420 1419 1428 +CONECT 1421 1417 +CONECT 1422 1417 +CONECT 1423 1417 +CONECT 1424 1418 +CONECT 1425 1418 +CONECT 1426 1419 +CONECT 1427 1419 +CONECT 1428 1420 +CONECT 1429 1430 1433 1434 1435 +CONECT 1430 1429 1431 1436 1437 +CONECT 1431 1430 1432 1438 1439 +CONECT 1432 1431 1440 +CONECT 1433 1429 +CONECT 1434 1429 +CONECT 1435 1429 +CONECT 1436 1430 +CONECT 1437 1430 +CONECT 1438 1431 +CONECT 1439 1431 +CONECT 1440 1432 +CONECT 1441 1442 1445 1446 1447 +CONECT 1442 1441 1443 1448 1449 +CONECT 1443 1442 1444 1450 1451 +CONECT 1444 1443 1452 +CONECT 1445 1441 +CONECT 1446 1441 +CONECT 1447 1441 +CONECT 1448 1442 +CONECT 1449 1442 +CONECT 1450 1443 +CONECT 1451 1443 +CONECT 1452 1444 +CONECT 1453 1454 1457 1458 1459 +CONECT 1454 1453 1455 1460 1461 +CONECT 1455 1454 1456 1462 1463 +CONECT 1456 1455 1464 +CONECT 1457 1453 +CONECT 1458 1453 +CONECT 1459 1453 +CONECT 1460 1454 +CONECT 1461 1454 +CONECT 1462 1455 +CONECT 1463 1455 +CONECT 1464 1456 +CONECT 1465 1466 1469 1470 1471 +CONECT 1466 1465 1467 1472 1473 +CONECT 1467 1466 1468 1474 1475 +CONECT 1468 1467 1476 +CONECT 1469 1465 +CONECT 1470 1465 +CONECT 1471 1465 +CONECT 1472 1466 +CONECT 1473 1466 +CONECT 1474 1467 +CONECT 1475 1467 +CONECT 1476 1468 +CONECT 1477 1478 1481 1482 1483 +CONECT 1478 1477 1479 1484 1485 +CONECT 1479 1478 1480 1486 1487 +CONECT 1480 1479 1488 +CONECT 1481 1477 +CONECT 1482 1477 +CONECT 1483 1477 +CONECT 1484 1478 +CONECT 1485 1478 +CONECT 1486 1479 +CONECT 1487 1479 +CONECT 1488 1480 +CONECT 1489 1490 1493 1494 1495 +CONECT 1490 1489 1491 1496 1497 +CONECT 1491 1490 1492 1498 1499 +CONECT 1492 1491 1500 +CONECT 1493 1489 +CONECT 1494 1489 +CONECT 1495 1489 +CONECT 1496 1490 +CONECT 1497 1490 +CONECT 1498 1491 +CONECT 1499 1491 +CONECT 1500 1492 +CONECT 1501 1502 1505 1506 1507 +CONECT 1502 1501 1503 1508 1509 +CONECT 1503 1502 1504 1510 1511 +CONECT 1504 1503 1512 +CONECT 1505 1501 +CONECT 1506 1501 +CONECT 1507 1501 +CONECT 1508 1502 +CONECT 1509 1502 +CONECT 1510 1503 +CONECT 1511 1503 +CONECT 1512 1504 +CONECT 1513 1514 1517 1518 1519 +CONECT 1514 1513 1515 1520 1521 +CONECT 1515 1514 1516 1522 1523 +CONECT 1516 1515 1524 +CONECT 1517 1513 +CONECT 1518 1513 +CONECT 1519 1513 +CONECT 1520 1514 +CONECT 1521 1514 +CONECT 1522 1515 +CONECT 1523 1515 +CONECT 1524 1516 +CONECT 1525 1526 1529 1530 1531 +CONECT 1526 1525 1527 1532 1533 +CONECT 1527 1526 1528 1534 1535 +CONECT 1528 1527 1536 +CONECT 1529 1525 +CONECT 1530 1525 +CONECT 1531 1525 +CONECT 1532 1526 +CONECT 1533 1526 +CONECT 1534 1527 +CONECT 1535 1527 +CONECT 1536 1528 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/openmm_statistics.csv b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/openmm_statistics.csv new file mode 100644 index 00000000..bdb8ea17 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/openmm_statistics.csv @@ -0,0 +1,21 @@ +#"Step","Potential Energy (kJ/mole)","Kinetic Energy (kJ/mole)","Total Energy (kJ/mole)","Temperature (K)","Box Volume (nm^3)","Density (g/mL)","Speed (ns/day)" +5000,-5751.993853123255,5225.387363247386,-526.6064898758686,288.8187703071065,20.992868996253975,0.7908564021202825,0 +10000,-5798.751780848419,5096.700258580545,-702.0515222678741,281.7059480911548,20.157041438176563,0.8236498841102605,529 +15000,-6222.341497188463,5339.965993829911,-882.3755033585521,295.15178581157835,19.82257037063926,0.837547529615577,529 +20000,-6235.014348084987,5215.700373500963,-1019.3139745840244,288.2833488594608,19.61583734117961,0.8463745164580087,529 +25000,-6084.481030246345,5001.905962173376,-1082.5750680729689,276.46645669707925,19.64210057245717,0.8452428386320465,529 +30000,-5972.597428765199,5272.182427447709,-700.4150013174894,291.40523748346146,19.975648375570522,0.831129209546154,529 +35000,-5956.829073469693,5370.191008119535,-586.6380653501583,296.822389510941,20.248942295268165,0.8199117071136861,528 +40000,-5967.547764686955,5240.904223036145,-726.6435416508102,289.67642162588487,20.33807838000808,0.8163182644078909,529 +45000,-6185.811271866056,5265.073105567242,-920.7381662988137,291.01228946631045,19.552700738175368,0.849107500128862,529 +50000,-5996.383916805462,5187.565395531087,-808.8185212743747,286.72826611152317,19.456538461736088,0.853304141289603,529 +55000,-5939.625530150246,5251.365764048878,-688.2597661013679,290.2546542430621,19.591582821383025,0.847422334168906,529 +60000,-6198.613486980241,5172.192108779131,-1026.4213782011102,285.87855039350626,19.904157397033867,0.8341144271213379,526 +65000,-6075.72500344117,5077.406492665641,-998.3185107755289,280.6395387785498,19.76443222114813,0.8400112211063254,526 +70000,-6027.820677889242,5132.342611512999,-895.4780663762431,283.6759801345603,20.373738697221505,0.8148894560439225,526 +75000,-6127.412939235379,5173.903696769916,-953.5092424654631,285.97315366488243,20.123155230428146,0.8250368619855151,526 +80000,-6050.967642753974,5131.800469411401,-919.1671733425737,283.6460147359725,20.25137905915019,0.8198130505615321,527 +85000,-6184.966415875657,5037.974470969538,-1146.991944906119,278.4600433219845,19.993074793936735,0.8304047784383224,527 +90000,-5785.288280394336,5106.1201507539445,-679.1681296403913,282.22660646245237,20.212822260367698,0.8213768780381006,527 +95000,-6162.03984997917,5121.858986824428,-1040.180863154742,283.09652690355,19.716912787175065,0.8420357194742424,527 +100000,-6107.804599424446,5370.345806467377,-737.4587929570689,296.83094555958604,19.724880265878205,0.8416955956523603,527 diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/output.pdb b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/output.pdb new file mode 100644 index 00000000..cbf411f2 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/output.pdb @@ -0,0 +1,3461 @@ +REMARK 1 CREATED WITH OPENMM 8.2, 2025-01-20 +CRYST1 27.019 27.019 27.019 90.00 90.00 90.00 P 1 1 +HETATM 1 C1 HMW A 1 4.266 11.394 16.185 1.00 0.00 C +HETATM 2 C2 HMW A 1 5.086 10.471 16.975 1.00 0.00 C +HETATM 3 C3 HMW A 1 4.935 8.997 16.691 1.00 0.00 C +HETATM 4 O1 HMW A 1 5.361 8.700 15.343 1.00 0.00 O +HETATM 5 H1 HMW A 1 3.180 11.302 16.145 1.00 0.00 H +HETATM 6 H2 HMW A 1 4.413 12.420 16.525 1.00 0.00 H +HETATM 7 H3 HMW A 1 4.609 11.439 15.151 1.00 0.00 H +HETATM 8 H4 HMW A 1 6.145 10.706 16.870 1.00 0.00 H +HETATM 9 H5 HMW A 1 4.786 10.536 18.021 1.00 0.00 H +HETATM 10 H6 HMW A 1 3.905 8.643 16.734 1.00 0.00 H +HETATM 11 H7 HMW A 1 5.575 8.465 17.395 1.00 0.00 H +HETATM 12 H8 HMW A 1 4.815 9.160 14.671 1.00 0.00 H +HETATM 13 C1 HMW A 2 -1.046 20.834 10.051 1.00 0.00 C +HETATM 14 C2 HMW A 2 -1.709 19.479 10.363 1.00 0.00 C +HETATM 15 C3 HMW A 2 -2.698 19.555 11.490 1.00 0.00 C +HETATM 16 O1 HMW A 2 -3.132 18.270 11.926 1.00 0.00 O +HETATM 17 H1 HMW A 2 -0.245 20.664 9.332 1.00 0.00 H +HETATM 18 H2 HMW A 2 -1.724 21.557 9.597 1.00 0.00 H +HETATM 19 H3 HMW A 2 -0.721 21.403 10.922 1.00 0.00 H +HETATM 20 H4 HMW A 2 -2.183 19.142 9.440 1.00 0.00 H +HETATM 21 H5 HMW A 2 -0.952 18.763 10.683 1.00 0.00 H +HETATM 22 H6 HMW A 2 -3.536 20.154 11.134 1.00 0.00 H +HETATM 23 H7 HMW A 2 -2.260 20.076 12.341 1.00 0.00 H +HETATM 24 H8 HMW A 2 -2.399 17.694 12.232 1.00 0.00 H +HETATM 25 C1 HMW A 3 5.786 28.668 29.629 1.00 0.00 C +HETATM 26 C2 HMW A 3 6.717 27.597 30.248 1.00 0.00 C +HETATM 27 C3 HMW A 3 5.973 26.307 30.337 1.00 0.00 C +HETATM 28 O1 HMW A 3 6.837 25.427 31.092 1.00 0.00 O +HETATM 29 H1 HMW A 3 5.179 28.224 28.840 1.00 0.00 H +HETATM 30 H2 HMW A 3 5.155 29.184 30.353 1.00 0.00 H +HETATM 31 H3 HMW A 3 6.412 29.394 29.111 1.00 0.00 H +HETATM 32 H4 HMW A 3 7.570 27.418 29.593 1.00 0.00 H +HETATM 33 H5 HMW A 3 7.078 27.995 31.197 1.00 0.00 H +HETATM 34 H6 HMW A 3 5.701 25.897 29.364 1.00 0.00 H +HETATM 35 H7 HMW A 3 5.024 26.394 30.866 1.00 0.00 H +HETATM 36 H8 HMW A 3 6.594 24.485 30.966 1.00 0.00 H +HETATM 37 C1 HMW A 4 -2.068 4.336 19.100 1.00 0.00 C +HETATM 38 C2 HMW A 4 -1.151 5.502 19.182 1.00 0.00 C +HETATM 39 C3 HMW A 4 0.163 5.143 19.885 1.00 0.00 C +HETATM 40 O1 HMW A 4 -0.111 4.707 21.252 1.00 0.00 O +HETATM 41 H1 HMW A 4 -2.886 4.571 18.420 1.00 0.00 H +HETATM 42 H2 HMW A 4 -1.627 3.384 18.804 1.00 0.00 H +HETATM 43 H3 HMW A 4 -2.491 4.155 20.088 1.00 0.00 H +HETATM 44 H4 HMW A 4 -0.817 5.812 18.192 1.00 0.00 H +HETATM 45 H5 HMW A 4 -1.693 6.342 19.618 1.00 0.00 H +HETATM 46 H6 HMW A 4 0.956 5.884 19.785 1.00 0.00 H +HETATM 47 H7 HMW A 4 0.510 4.280 19.317 1.00 0.00 H +HETATM 48 H8 HMW A 4 0.667 4.335 21.720 1.00 0.00 H +HETATM 49 C1 HMW A 5 6.503 34.346 10.108 1.00 0.00 C +HETATM 50 C2 HMW A 5 7.237 33.292 10.907 1.00 0.00 C +HETATM 51 C3 HMW A 5 6.345 32.827 12.063 1.00 0.00 C +HETATM 52 O1 HMW A 5 7.228 32.145 12.966 1.00 0.00 O +HETATM 53 H1 HMW A 5 6.169 35.091 10.830 1.00 0.00 H +HETATM 54 H2 HMW A 5 7.171 34.852 9.411 1.00 0.00 H +HETATM 55 H3 HMW A 5 5.614 33.912 9.649 1.00 0.00 H +HETATM 56 H4 HMW A 5 7.524 32.492 10.224 1.00 0.00 H +HETATM 57 H5 HMW A 5 8.162 33.757 11.250 1.00 0.00 H +HETATM 58 H6 HMW A 5 5.524 32.148 11.831 1.00 0.00 H +HETATM 59 H7 HMW A 5 5.947 33.730 12.528 1.00 0.00 H +HETATM 60 H8 HMW A 5 7.944 32.721 13.309 1.00 0.00 H +HETATM 61 C1 HMW A 6 2.608 16.742 10.763 1.00 0.00 C +HETATM 62 C2 HMW A 6 2.866 15.157 10.507 1.00 0.00 C +HETATM 63 C3 HMW A 6 3.053 14.923 9.042 1.00 0.00 C +HETATM 64 O1 HMW A 6 3.003 13.504 8.734 1.00 0.00 O +HETATM 65 H1 HMW A 6 2.658 16.917 11.838 1.00 0.00 H +HETATM 66 H2 HMW A 6 3.418 17.285 10.274 1.00 0.00 H +HETATM 67 H3 HMW A 6 1.607 17.087 10.505 1.00 0.00 H +HETATM 68 H4 HMW A 6 3.741 14.839 11.073 1.00 0.00 H +HETATM 69 H5 HMW A 6 1.994 14.629 10.894 1.00 0.00 H +HETATM 70 H6 HMW A 6 3.956 15.453 8.740 1.00 0.00 H +HETATM 71 H7 HMW A 6 2.265 15.379 8.443 1.00 0.00 H +HETATM 72 H8 HMW A 6 2.253 13.010 9.130 1.00 0.00 H +HETATM 73 C1 HMW A 7 5.709 -2.568 20.276 1.00 0.00 C +HETATM 74 C2 HMW A 7 5.705 -4.128 20.257 1.00 0.00 C +HETATM 75 C3 HMW A 7 4.460 -4.693 19.574 1.00 0.00 C +HETATM 76 O1 HMW A 7 3.215 -4.441 20.162 1.00 0.00 O +HETATM 77 H1 HMW A 7 6.579 -2.149 20.781 1.00 0.00 H +HETATM 78 H2 HMW A 7 5.787 -2.275 19.228 1.00 0.00 H +HETATM 79 H3 HMW A 7 4.837 -2.118 20.750 1.00 0.00 H +HETATM 80 H4 HMW A 7 6.546 -4.438 19.636 1.00 0.00 H +HETATM 81 H5 HMW A 7 5.774 -4.585 21.245 1.00 0.00 H +HETATM 82 H6 HMW A 7 4.604 -5.761 19.407 1.00 0.00 H +HETATM 83 H7 HMW A 7 4.445 -4.364 18.535 1.00 0.00 H +HETATM 84 H8 HMW A 7 2.926 -3.514 20.021 1.00 0.00 H +HETATM 85 C1 HMW A 8 14.501 11.112 18.853 1.00 0.00 C +HETATM 86 C2 HMW A 8 15.115 10.926 20.238 1.00 0.00 C +HETATM 87 C3 HMW A 8 15.062 12.196 21.091 1.00 0.00 C +HETATM 88 O1 HMW A 8 15.636 12.060 22.422 1.00 0.00 O +HETATM 89 H1 HMW A 8 14.743 10.380 18.083 1.00 0.00 H +HETATM 90 H2 HMW A 8 13.454 11.341 19.051 1.00 0.00 H +HETATM 91 H3 HMW A 8 14.937 12.079 18.603 1.00 0.00 H +HETATM 92 H4 HMW A 8 14.715 10.049 20.746 1.00 0.00 H +HETATM 93 H5 HMW A 8 16.174 10.692 20.122 1.00 0.00 H +HETATM 94 H6 HMW A 8 13.996 12.418 21.145 1.00 0.00 H +HETATM 95 H7 HMW A 8 15.541 12.967 20.488 1.00 0.00 H +HETATM 96 H8 HMW A 8 15.524 12.901 22.915 1.00 0.00 H +HETATM 97 C1 HMW A 9 3.614 29.555 10.601 1.00 0.00 C +HETATM 98 C2 HMW A 9 3.099 30.425 9.443 1.00 0.00 C +HETATM 99 C3 HMW A 9 4.246 31.063 8.698 1.00 0.00 C +HETATM 100 O1 HMW A 9 5.048 30.091 8.133 1.00 0.00 O +HETATM 101 H1 HMW A 9 2.787 29.180 11.203 1.00 0.00 H +HETATM 102 H2 HMW A 9 4.198 28.713 10.231 1.00 0.00 H +HETATM 103 H3 HMW A 9 4.140 30.156 11.344 1.00 0.00 H +HETATM 104 H4 HMW A 9 2.459 29.810 8.809 1.00 0.00 H +HETATM 105 H5 HMW A 9 2.418 31.216 9.758 1.00 0.00 H +HETATM 106 H6 HMW A 9 4.803 31.605 9.463 1.00 0.00 H +HETATM 107 H7 HMW A 9 3.836 31.788 7.994 1.00 0.00 H +HETATM 108 H8 HMW A 9 4.563 29.459 7.561 1.00 0.00 H +HETATM 109 C1 HMW A 10 29.794 9.595 7.559 1.00 0.00 C +HETATM 110 C2 HMW A 10 28.686 8.662 8.048 1.00 0.00 C +HETATM 111 C3 HMW A 10 29.207 7.230 8.262 1.00 0.00 C +HETATM 112 O1 HMW A 10 28.404 6.609 9.252 1.00 0.00 O +HETATM 113 H1 HMW A 10 30.557 9.592 8.337 1.00 0.00 H +HETATM 114 H2 HMW A 10 30.238 9.330 6.598 1.00 0.00 H +HETATM 115 H3 HMW A 10 29.425 10.619 7.505 1.00 0.00 H +HETATM 116 H4 HMW A 10 28.180 9.071 8.922 1.00 0.00 H +HETATM 117 H5 HMW A 10 27.895 8.513 7.312 1.00 0.00 H +HETATM 118 H6 HMW A 10 30.275 7.242 8.481 1.00 0.00 H +HETATM 119 H7 HMW A 10 29.118 6.689 7.320 1.00 0.00 H +HETATM 120 H8 HMW A 10 27.479 6.501 8.943 1.00 0.00 H +HETATM 121 C1 HMW A 11 26.191 25.339 23.900 1.00 0.00 C +HETATM 122 C2 HMW A 11 26.050 24.751 25.347 1.00 0.00 C +HETATM 123 C3 HMW A 11 26.249 25.831 26.359 1.00 0.00 C +HETATM 124 O1 HMW A 11 26.309 25.293 27.729 1.00 0.00 O +HETATM 125 H1 HMW A 11 25.260 25.841 23.636 1.00 0.00 H +HETATM 126 H2 HMW A 11 27.030 26.022 23.768 1.00 0.00 H +HETATM 127 H3 HMW A 11 26.254 24.537 23.165 1.00 0.00 H +HETATM 128 H4 HMW A 11 25.052 24.343 25.504 1.00 0.00 H +HETATM 129 H5 HMW A 11 26.725 23.902 25.456 1.00 0.00 H +HETATM 130 H6 HMW A 11 25.523 26.636 26.247 1.00 0.00 H +HETATM 131 H7 HMW A 11 27.181 26.378 26.210 1.00 0.00 H +HETATM 132 H8 HMW A 11 27.128 24.774 27.879 1.00 0.00 H +HETATM 133 C1 HMW A 12 13.417 13.497 9.483 1.00 0.00 C +HETATM 134 C2 HMW A 12 13.294 11.986 9.543 1.00 0.00 C +HETATM 135 C3 HMW A 12 13.281 11.413 10.937 1.00 0.00 C +HETATM 136 O1 HMW A 12 12.167 11.914 11.571 1.00 0.00 O +HETATM 137 H1 HMW A 12 14.379 13.705 9.951 1.00 0.00 H +HETATM 138 H2 HMW A 12 13.504 13.743 8.425 1.00 0.00 H +HETATM 139 H3 HMW A 12 12.682 14.179 9.910 1.00 0.00 H +HETATM 140 H4 HMW A 12 12.403 11.651 9.012 1.00 0.00 H +HETATM 141 H5 HMW A 12 14.051 11.501 8.926 1.00 0.00 H +HETATM 142 H6 HMW A 12 14.233 11.532 11.455 1.00 0.00 H +HETATM 143 H7 HMW A 12 13.233 10.328 10.854 1.00 0.00 H +HETATM 144 H8 HMW A 12 12.348 12.720 12.101 1.00 0.00 H +HETATM 145 C1 HMW A 13 14.295 19.678 13.926 1.00 0.00 C +HETATM 146 C2 HMW A 13 15.571 20.544 14.179 1.00 0.00 C +HETATM 147 C3 HMW A 13 15.650 21.840 13.328 1.00 0.00 C +HETATM 148 O1 HMW A 13 14.409 22.480 13.449 1.00 0.00 O +HETATM 149 H1 HMW A 13 14.050 19.488 12.881 1.00 0.00 H +HETATM 150 H2 HMW A 13 14.435 18.692 14.371 1.00 0.00 H +HETATM 151 H3 HMW A 13 13.384 20.047 14.396 1.00 0.00 H +HETATM 152 H4 HMW A 13 15.677 20.772 15.240 1.00 0.00 H +HETATM 153 H5 HMW A 13 16.402 19.882 13.937 1.00 0.00 H +HETATM 154 H6 HMW A 13 15.816 21.627 12.272 1.00 0.00 H +HETATM 155 H7 HMW A 13 16.404 22.529 13.709 1.00 0.00 H +HETATM 156 H8 HMW A 13 13.734 21.790 13.272 1.00 0.00 H +HETATM 157 C1 HMW A 14 -2.366 0.985 13.844 1.00 0.00 C +HETATM 158 C2 HMW A 14 -1.254 2.091 13.947 1.00 0.00 C +HETATM 159 C3 HMW A 14 -1.196 2.762 15.288 1.00 0.00 C +HETATM 160 O1 HMW A 14 -0.356 3.924 15.150 1.00 0.00 O +HETATM 161 H1 HMW A 14 -2.205 0.338 14.707 1.00 0.00 H +HETATM 162 H2 HMW A 14 -3.357 1.432 13.912 1.00 0.00 H +HETATM 163 H3 HMW A 14 -2.184 0.348 12.978 1.00 0.00 H +HETATM 164 H4 HMW A 14 -0.299 1.620 13.713 1.00 0.00 H +HETATM 165 H5 HMW A 14 -1.450 2.788 13.132 1.00 0.00 H +HETATM 166 H6 HMW A 14 -0.740 2.113 16.037 1.00 0.00 H +HETATM 167 H7 HMW A 14 -2.207 3.050 15.578 1.00 0.00 H +HETATM 168 H8 HMW A 14 0.579 3.655 15.029 1.00 0.00 H +HETATM 169 C1 HMW A 15 15.438 18.212 8.245 1.00 0.00 C +HETATM 170 C2 HMW A 15 16.377 19.376 7.863 1.00 0.00 C +HETATM 171 C3 HMW A 15 15.680 20.728 7.916 1.00 0.00 C +HETATM 172 O1 HMW A 15 14.606 20.826 6.945 1.00 0.00 O +HETATM 173 H1 HMW A 15 14.774 17.937 7.425 1.00 0.00 H +HETATM 174 H2 HMW A 15 15.961 17.302 8.538 1.00 0.00 H +HETATM 175 H3 HMW A 15 14.717 18.481 9.017 1.00 0.00 H +HETATM 176 H4 HMW A 15 17.147 19.440 8.632 1.00 0.00 H +HETATM 177 H5 HMW A 15 16.891 19.241 6.911 1.00 0.00 H +HETATM 178 H6 HMW A 15 16.290 21.625 7.809 1.00 0.00 H +HETATM 179 H7 HMW A 15 15.292 20.742 8.934 1.00 0.00 H +HETATM 180 H8 HMW A 15 14.245 21.739 6.931 1.00 0.00 H +HETATM 181 C1 HMW A 16 20.910 7.907 26.116 1.00 0.00 C +HETATM 182 C2 HMW A 16 20.007 7.437 27.370 1.00 0.00 C +HETATM 183 C3 HMW A 16 18.933 6.454 26.903 1.00 0.00 C +HETATM 184 O1 HMW A 16 19.476 5.118 26.957 1.00 0.00 O +HETATM 185 H1 HMW A 16 20.334 8.140 25.220 1.00 0.00 H +HETATM 186 H2 HMW A 16 21.665 8.654 26.360 1.00 0.00 H +HETATM 187 H3 HMW A 16 21.447 7.046 25.718 1.00 0.00 H +HETATM 188 H4 HMW A 16 20.702 7.090 28.135 1.00 0.00 H +HETATM 189 H5 HMW A 16 19.592 8.356 27.786 1.00 0.00 H +HETATM 190 H6 HMW A 16 18.574 6.741 25.914 1.00 0.00 H +HETATM 191 H7 HMW A 16 18.081 6.493 27.582 1.00 0.00 H +HETATM 192 H8 HMW A 16 18.821 4.500 26.567 1.00 0.00 H +HETATM 193 C1 HMW A 17 15.189 -10.504 3.376 1.00 0.00 C +HETATM 194 C2 HMW A 17 16.355 -10.063 2.548 1.00 0.00 C +HETATM 195 C3 HMW A 17 17.668 -10.818 2.778 1.00 0.00 C +HETATM 196 O1 HMW A 17 18.695 -10.021 2.212 1.00 0.00 O +HETATM 197 H1 HMW A 17 14.889 -11.526 3.146 1.00 0.00 H +HETATM 198 H2 HMW A 17 15.347 -10.478 4.454 1.00 0.00 H +HETATM 199 H3 HMW A 17 14.319 -9.904 3.108 1.00 0.00 H +HETATM 200 H4 HMW A 17 16.097 -10.171 1.495 1.00 0.00 H +HETATM 201 H5 HMW A 17 16.521 -9.006 2.757 1.00 0.00 H +HETATM 202 H6 HMW A 17 17.573 -11.790 2.294 1.00 0.00 H +HETATM 203 H7 HMW A 17 17.872 -10.903 3.845 1.00 0.00 H +HETATM 204 H8 HMW A 17 18.673 -9.871 1.243 1.00 0.00 H +HETATM 205 C1 HMW A 18 24.278 -0.379 30.288 1.00 0.00 C +HETATM 206 C2 HMW A 18 25.356 -0.504 31.420 1.00 0.00 C +HETATM 207 C3 HMW A 18 25.879 0.841 31.927 1.00 0.00 C +HETATM 208 O1 HMW A 18 26.204 1.600 30.844 1.00 0.00 O +HETATM 209 H1 HMW A 18 24.676 0.103 29.396 1.00 0.00 H +HETATM 210 H2 HMW A 18 23.840 -1.362 30.110 1.00 0.00 H +HETATM 211 H3 HMW A 18 23.427 0.178 30.680 1.00 0.00 H +HETATM 212 H4 HMW A 18 24.884 -1.015 32.260 1.00 0.00 H +HETATM 213 H5 HMW A 18 26.144 -1.130 31.001 1.00 0.00 H +HETATM 214 H6 HMW A 18 26.731 0.736 32.599 1.00 0.00 H +HETATM 215 H7 HMW A 18 25.065 1.255 32.523 1.00 0.00 H +HETATM 216 H8 HMW A 18 26.602 1.053 30.133 1.00 0.00 H +HETATM 217 C1 HMW A 19 6.408 15.847 12.971 1.00 0.00 C +HETATM 218 C2 HMW A 19 5.872 15.219 14.256 1.00 0.00 C +HETATM 219 C3 HMW A 19 6.939 15.318 15.388 1.00 0.00 C +HETATM 220 O1 HMW A 19 8.166 14.932 14.730 1.00 0.00 O +HETATM 221 H1 HMW A 19 6.529 16.888 13.271 1.00 0.00 H +HETATM 222 H2 HMW A 19 7.361 15.414 12.666 1.00 0.00 H +HETATM 223 H3 HMW A 19 5.624 15.869 12.214 1.00 0.00 H +HETATM 224 H4 HMW A 19 5.009 15.774 14.624 1.00 0.00 H +HETATM 225 H5 HMW A 19 5.642 14.157 14.170 1.00 0.00 H +HETATM 226 H6 HMW A 19 6.659 14.640 16.195 1.00 0.00 H +HETATM 227 H7 HMW A 19 7.023 16.341 15.754 1.00 0.00 H +HETATM 228 H8 HMW A 19 8.037 14.046 14.328 1.00 0.00 H +HETATM 229 C1 HMW A 20 12.908 0.826 0.652 1.00 0.00 C +HETATM 230 C2 HMW A 20 13.949 -0.137 0.173 1.00 0.00 C +HETATM 231 C3 HMW A 20 15.309 0.513 0.055 1.00 0.00 C +HETATM 232 O1 HMW A 20 15.718 1.236 1.205 1.00 0.00 O +HETATM 233 H1 HMW A 20 11.904 0.405 0.707 1.00 0.00 H +HETATM 234 H2 HMW A 20 13.199 1.196 1.635 1.00 0.00 H +HETATM 235 H3 HMW A 20 12.900 1.692 -0.010 1.00 0.00 H +HETATM 236 H4 HMW A 20 14.029 -0.898 0.950 1.00 0.00 H +HETATM 237 H5 HMW A 20 13.684 -0.749 -0.690 1.00 0.00 H +HETATM 238 H6 HMW A 20 15.467 1.197 -0.778 1.00 0.00 H +HETATM 239 H7 HMW A 20 15.991 -0.299 -0.198 1.00 0.00 H +HETATM 240 H8 HMW A 20 15.809 2.205 1.083 1.00 0.00 H +HETATM 241 C1 HMW A 21 16.988 10.133 10.840 1.00 0.00 C +HETATM 242 C2 HMW A 21 17.006 11.647 10.533 1.00 0.00 C +HETATM 243 C3 HMW A 21 18.436 12.236 10.632 1.00 0.00 C +HETATM 244 O1 HMW A 21 18.827 12.173 11.937 1.00 0.00 O +HETATM 245 H1 HMW A 21 17.648 9.874 11.667 1.00 0.00 H +HETATM 246 H2 HMW A 21 15.963 9.851 11.079 1.00 0.00 H +HETATM 247 H3 HMW A 21 17.259 9.547 9.962 1.00 0.00 H +HETATM 248 H4 HMW A 21 16.584 11.752 9.534 1.00 0.00 H +HETATM 249 H5 HMW A 21 16.284 12.123 11.196 1.00 0.00 H +HETATM 250 H6 HMW A 21 18.465 13.274 10.301 1.00 0.00 H +HETATM 251 H7 HMW A 21 19.019 11.569 9.997 1.00 0.00 H +HETATM 252 H8 HMW A 21 18.238 12.687 12.530 1.00 0.00 H +HETATM 253 C1 HMW A 22 10.060 -14.835 17.416 1.00 0.00 C +HETATM 254 C2 HMW A 22 11.063 -14.971 16.202 1.00 0.00 C +HETATM 255 C3 HMW A 22 12.091 -13.776 16.187 1.00 0.00 C +HETATM 256 O1 HMW A 22 11.507 -12.474 15.886 1.00 0.00 O +HETATM 257 H1 HMW A 22 9.311 -15.627 17.414 1.00 0.00 H +HETATM 258 H2 HMW A 22 10.476 -14.900 18.422 1.00 0.00 H +HETATM 259 H3 HMW A 22 9.576 -13.880 17.209 1.00 0.00 H +HETATM 260 H4 HMW A 22 11.563 -15.939 16.239 1.00 0.00 H +HETATM 261 H5 HMW A 22 10.514 -14.952 15.261 1.00 0.00 H +HETATM 262 H6 HMW A 22 12.893 -14.041 15.498 1.00 0.00 H +HETATM 263 H7 HMW A 22 12.591 -13.765 17.156 1.00 0.00 H +HETATM 264 H8 HMW A 22 12.110 -11.719 16.055 1.00 0.00 H +HETATM 265 C1 HMW A 23 7.103 -13.592 25.666 1.00 0.00 C +HETATM 266 C2 HMW A 23 8.625 -13.316 26.016 1.00 0.00 C +HETATM 267 C3 HMW A 23 9.278 -12.563 24.739 1.00 0.00 C +HETATM 268 O1 HMW A 23 8.519 -11.314 24.517 1.00 0.00 O +HETATM 269 H1 HMW A 23 6.478 -12.704 25.570 1.00 0.00 H +HETATM 270 H2 HMW A 23 7.107 -14.196 24.759 1.00 0.00 H +HETATM 271 H3 HMW A 23 6.594 -14.243 26.376 1.00 0.00 H +HETATM 272 H4 HMW A 23 8.698 -12.865 27.006 1.00 0.00 H +HETATM 273 H5 HMW A 23 9.069 -14.310 26.062 1.00 0.00 H +HETATM 274 H6 HMW A 23 9.042 -13.253 23.929 1.00 0.00 H +HETATM 275 H7 HMW A 23 10.353 -12.405 24.819 1.00 0.00 H +HETATM 276 H8 HMW A 23 8.824 -10.551 25.052 1.00 0.00 H +HETATM 277 C1 HMW A 24 0.075 13.550 -2.559 1.00 0.00 C +HETATM 278 C2 HMW A 24 -1.227 12.866 -2.979 1.00 0.00 C +HETATM 279 C3 HMW A 24 -1.849 12.000 -1.834 1.00 0.00 C +HETATM 280 O1 HMW A 24 -2.305 12.832 -0.783 1.00 0.00 O +HETATM 281 H1 HMW A 24 -0.044 14.318 -1.794 1.00 0.00 H +HETATM 282 H2 HMW A 24 0.750 12.819 -2.116 1.00 0.00 H +HETATM 283 H3 HMW A 24 0.546 14.128 -3.354 1.00 0.00 H +HETATM 284 H4 HMW A 24 -1.921 13.649 -3.287 1.00 0.00 H +HETATM 285 H5 HMW A 24 -1.141 12.242 -3.869 1.00 0.00 H +HETATM 286 H6 HMW A 24 -1.051 11.357 -1.463 1.00 0.00 H +HETATM 287 H7 HMW A 24 -2.711 11.421 -2.167 1.00 0.00 H +HETATM 288 H8 HMW A 24 -3.149 12.518 -0.394 1.00 0.00 H +HETATM 289 C1 HMW A 25 11.013 30.248 7.471 1.00 0.00 C +HETATM 290 C2 HMW A 25 9.790 30.841 6.764 1.00 0.00 C +HETATM 291 C3 HMW A 25 8.597 30.692 7.677 1.00 0.00 C +HETATM 292 O1 HMW A 25 7.335 30.745 6.904 1.00 0.00 O +HETATM 293 H1 HMW A 25 10.977 29.158 7.480 1.00 0.00 H +HETATM 294 H2 HMW A 25 11.888 30.644 6.954 1.00 0.00 H +HETATM 295 H3 HMW A 25 11.080 30.494 8.530 1.00 0.00 H +HETATM 296 H4 HMW A 25 9.910 31.829 6.320 1.00 0.00 H +HETATM 297 H5 HMW A 25 9.618 30.240 5.871 1.00 0.00 H +HETATM 298 H6 HMW A 25 8.590 31.499 8.409 1.00 0.00 H +HETATM 299 H7 HMW A 25 8.642 29.770 8.257 1.00 0.00 H +HETATM 300 H8 HMW A 25 6.511 30.622 7.423 1.00 0.00 H +HETATM 301 C1 HMW A 26 27.766 18.693 15.120 1.00 0.00 C +HETATM 302 C2 HMW A 26 26.572 18.114 14.303 1.00 0.00 C +HETATM 303 C3 HMW A 26 27.001 16.799 13.689 1.00 0.00 C +HETATM 304 O1 HMW A 26 26.078 16.484 12.706 1.00 0.00 O +HETATM 305 H1 HMW A 26 27.444 19.440 15.846 1.00 0.00 H +HETATM 306 H2 HMW A 26 28.302 17.856 15.568 1.00 0.00 H +HETATM 307 H3 HMW A 26 28.440 19.068 14.350 1.00 0.00 H +HETATM 308 H4 HMW A 26 25.733 17.985 14.987 1.00 0.00 H +HETATM 309 H5 HMW A 26 26.259 18.815 13.528 1.00 0.00 H +HETATM 310 H6 HMW A 26 27.101 16.085 14.507 1.00 0.00 H +HETATM 311 H7 HMW A 26 27.992 16.932 13.256 1.00 0.00 H +HETATM 312 H8 HMW A 26 26.289 15.580 12.391 1.00 0.00 H +HETATM 313 C1 HMW A 27 -5.331 9.800 16.903 1.00 0.00 C +HETATM 314 C2 HMW A 27 -3.920 10.355 16.977 1.00 0.00 C +HETATM 315 C3 HMW A 27 -3.772 11.843 16.592 1.00 0.00 C +HETATM 316 O1 HMW A 27 -4.218 12.005 15.244 1.00 0.00 O +HETATM 317 H1 HMW A 27 -6.034 10.512 17.336 1.00 0.00 H +HETATM 318 H2 HMW A 27 -5.603 9.578 15.871 1.00 0.00 H +HETATM 319 H3 HMW A 27 -5.335 8.838 17.416 1.00 0.00 H +HETATM 320 H4 HMW A 27 -3.551 10.130 17.978 1.00 0.00 H +HETATM 321 H5 HMW A 27 -3.358 9.647 16.368 1.00 0.00 H +HETATM 322 H6 HMW A 27 -2.792 12.302 16.727 1.00 0.00 H +HETATM 323 H7 HMW A 27 -4.436 12.421 17.236 1.00 0.00 H +HETATM 324 H8 HMW A 27 -3.900 12.863 14.890 1.00 0.00 H +HETATM 325 C1 HMW A 28 21.387 13.145 19.905 1.00 0.00 C +HETATM 326 C2 HMW A 28 20.199 14.031 19.493 1.00 0.00 C +HETATM 327 C3 HMW A 28 18.922 13.645 20.144 1.00 0.00 C +HETATM 328 O1 HMW A 28 18.032 14.733 20.110 1.00 0.00 O +HETATM 329 H1 HMW A 28 21.652 13.267 20.955 1.00 0.00 H +HETATM 330 H2 HMW A 28 21.275 12.095 19.633 1.00 0.00 H +HETATM 331 H3 HMW A 28 22.285 13.545 19.432 1.00 0.00 H +HETATM 332 H4 HMW A 28 20.467 15.043 19.797 1.00 0.00 H +HETATM 333 H5 HMW A 28 20.130 14.035 18.405 1.00 0.00 H +HETATM 334 H6 HMW A 28 18.968 13.291 21.175 1.00 0.00 H +HETATM 335 H7 HMW A 28 18.400 12.894 19.551 1.00 0.00 H +HETATM 336 H8 HMW A 28 18.340 15.536 20.581 1.00 0.00 H +HETATM 337 C1 HMW A 29 13.722 21.942 17.640 1.00 0.00 C +HETATM 338 C2 HMW A 29 15.229 21.673 18.125 1.00 0.00 C +HETATM 339 C3 HMW A 29 15.942 22.985 18.461 1.00 0.00 C +HETATM 340 O1 HMW A 29 16.259 23.904 17.340 1.00 0.00 O +HETATM 341 H1 HMW A 29 13.118 22.538 18.324 1.00 0.00 H +HETATM 342 H2 HMW A 29 13.704 22.369 16.638 1.00 0.00 H +HETATM 343 H3 HMW A 29 13.118 21.043 17.521 1.00 0.00 H +HETATM 344 H4 HMW A 29 15.183 21.057 19.023 1.00 0.00 H +HETATM 345 H5 HMW A 29 15.761 21.099 17.367 1.00 0.00 H +HETATM 346 H6 HMW A 29 16.887 22.717 18.934 1.00 0.00 H +HETATM 347 H7 HMW A 29 15.309 23.469 19.204 1.00 0.00 H +HETATM 348 H8 HMW A 29 16.740 23.476 16.599 1.00 0.00 H +HETATM 349 C1 HMW A 30 19.044 -1.650 28.065 1.00 0.00 C +HETATM 350 C2 HMW A 30 19.008 -0.171 28.300 1.00 0.00 C +HETATM 351 C3 HMW A 30 18.329 -0.003 29.731 1.00 0.00 C +HETATM 352 O1 HMW A 30 17.009 -0.357 29.759 1.00 0.00 O +HETATM 353 H1 HMW A 30 19.462 -2.306 28.829 1.00 0.00 H +HETATM 354 H2 HMW A 30 18.025 -1.961 27.833 1.00 0.00 H +HETATM 355 H3 HMW A 30 19.570 -1.876 27.137 1.00 0.00 H +HETATM 356 H4 HMW A 30 20.061 0.104 28.371 1.00 0.00 H +HETATM 357 H5 HMW A 30 18.404 0.395 27.591 1.00 0.00 H +HETATM 358 H6 HMW A 30 18.410 1.032 30.061 1.00 0.00 H +HETATM 359 H7 HMW A 30 18.891 -0.577 30.468 1.00 0.00 H +HETATM 360 H8 HMW A 30 16.464 0.146 29.117 1.00 0.00 H +HETATM 361 C1 HMW A 31 -8.341 16.958 16.795 1.00 0.00 C +HETATM 362 C2 HMW A 31 -9.035 18.357 16.981 1.00 0.00 C +HETATM 363 C3 HMW A 31 -8.669 18.961 18.346 1.00 0.00 C +HETATM 364 O1 HMW A 31 -9.092 18.174 19.491 1.00 0.00 O +HETATM 365 H1 HMW A 31 -7.268 16.989 16.982 1.00 0.00 H +HETATM 366 H2 HMW A 31 -8.702 16.267 17.558 1.00 0.00 H +HETATM 367 H3 HMW A 31 -8.544 16.545 15.807 1.00 0.00 H +HETATM 368 H4 HMW A 31 -8.700 18.934 16.118 1.00 0.00 H +HETATM 369 H5 HMW A 31 -10.118 18.288 16.882 1.00 0.00 H +HETATM 370 H6 HMW A 31 -9.147 19.933 18.469 1.00 0.00 H +HETATM 371 H7 HMW A 31 -7.626 19.236 18.504 1.00 0.00 H +HETATM 372 H8 HMW A 31 -10.038 17.933 19.396 1.00 0.00 H +HETATM 373 C1 HMW A 32 29.460 25.923 29.826 1.00 0.00 C +HETATM 374 C2 HMW A 32 29.921 24.510 29.961 1.00 0.00 C +HETATM 375 C3 HMW A 32 28.792 23.437 29.590 1.00 0.00 C +HETATM 376 O1 HMW A 32 28.478 23.515 28.239 1.00 0.00 O +HETATM 377 H1 HMW A 32 30.282 26.631 29.931 1.00 0.00 H +HETATM 378 H2 HMW A 32 28.931 26.012 28.877 1.00 0.00 H +HETATM 379 H3 HMW A 32 28.649 26.220 30.492 1.00 0.00 H +HETATM 380 H4 HMW A 32 30.838 24.439 29.376 1.00 0.00 H +HETATM 381 H5 HMW A 32 30.079 24.380 31.032 1.00 0.00 H +HETATM 382 H6 HMW A 32 27.887 23.652 30.159 1.00 0.00 H +HETATM 383 H7 HMW A 32 29.063 22.451 29.966 1.00 0.00 H +HETATM 384 H8 HMW A 32 29.147 22.979 27.763 1.00 0.00 H +HETATM 385 C1 HMW A 33 9.065 24.974 29.075 1.00 0.00 C +HETATM 386 C2 HMW A 33 10.358 24.575 28.334 1.00 0.00 C +HETATM 387 C3 HMW A 33 10.059 23.840 27.022 1.00 0.00 C +HETATM 388 O1 HMW A 33 9.306 22.605 27.280 1.00 0.00 O +HETATM 389 H1 HMW A 33 8.263 25.089 28.346 1.00 0.00 H +HETATM 390 H2 HMW A 33 8.771 24.075 29.616 1.00 0.00 H +HETATM 391 H3 HMW A 33 9.185 25.836 29.731 1.00 0.00 H +HETATM 392 H4 HMW A 33 10.932 25.471 28.097 1.00 0.00 H +HETATM 393 H5 HMW A 33 10.958 23.943 28.990 1.00 0.00 H +HETATM 394 H6 HMW A 33 10.986 23.620 26.491 1.00 0.00 H +HETATM 395 H7 HMW A 33 9.460 24.469 26.364 1.00 0.00 H +HETATM 396 H8 HMW A 33 8.400 22.833 27.580 1.00 0.00 H +HETATM 397 C1 HMW A 34 14.248 24.442 37.509 1.00 0.00 C +HETATM 398 C2 HMW A 34 14.850 25.843 37.408 1.00 0.00 C +HETATM 399 C3 HMW A 34 16.303 25.634 37.118 1.00 0.00 C +HETATM 400 O1 HMW A 34 16.806 26.947 36.868 1.00 0.00 O +HETATM 401 H1 HMW A 34 13.187 24.560 37.726 1.00 0.00 H +HETATM 402 H2 HMW A 34 14.320 23.944 36.542 1.00 0.00 H +HETATM 403 H3 HMW A 34 14.644 23.811 38.306 1.00 0.00 H +HETATM 404 H4 HMW A 34 14.436 26.381 36.555 1.00 0.00 H +HETATM 405 H5 HMW A 34 14.731 26.465 38.295 1.00 0.00 H +HETATM 406 H6 HMW A 34 16.374 25.124 36.157 1.00 0.00 H +HETATM 407 H7 HMW A 34 16.826 25.163 37.950 1.00 0.00 H +HETATM 408 H8 HMW A 34 17.769 26.942 36.681 1.00 0.00 H +HETATM 409 C1 HMW A 35 20.675 25.455 33.207 1.00 0.00 C +HETATM 410 C2 HMW A 35 19.205 25.525 33.423 1.00 0.00 C +HETATM 411 C3 HMW A 35 18.769 26.709 34.413 1.00 0.00 C +HETATM 412 O1 HMW A 35 19.223 26.487 35.763 1.00 0.00 O +HETATM 413 H1 HMW A 35 21.229 25.268 34.127 1.00 0.00 H +HETATM 414 H2 HMW A 35 20.933 24.712 32.452 1.00 0.00 H +HETATM 415 H3 HMW A 35 21.070 26.414 32.871 1.00 0.00 H +HETATM 416 H4 HMW A 35 18.760 25.722 32.448 1.00 0.00 H +HETATM 417 H5 HMW A 35 18.795 24.580 33.780 1.00 0.00 H +HETATM 418 H6 HMW A 35 17.684 26.807 34.389 1.00 0.00 H +HETATM 419 H7 HMW A 35 19.176 27.658 34.063 1.00 0.00 H +HETATM 420 H8 HMW A 35 19.386 25.546 35.985 1.00 0.00 H +HETATM 421 C1 HMW A 36 13.825 0.882 7.066 1.00 0.00 C +HETATM 422 C2 HMW A 36 13.608 -0.469 6.468 1.00 0.00 C +HETATM 423 C3 HMW A 36 14.648 -0.829 5.391 1.00 0.00 C +HETATM 424 O1 HMW A 36 14.425 -2.165 5.059 1.00 0.00 O +HETATM 425 H1 HMW A 36 13.560 1.713 6.413 1.00 0.00 H +HETATM 426 H2 HMW A 36 13.162 1.041 7.917 1.00 0.00 H +HETATM 427 H3 HMW A 36 14.859 1.031 7.374 1.00 0.00 H +HETATM 428 H4 HMW A 36 13.733 -1.220 7.248 1.00 0.00 H +HETATM 429 H5 HMW A 36 12.586 -0.575 6.102 1.00 0.00 H +HETATM 430 H6 HMW A 36 15.580 -0.839 5.956 1.00 0.00 H +HETATM 431 H7 HMW A 36 14.629 -0.139 4.547 1.00 0.00 H +HETATM 432 H8 HMW A 36 15.062 -2.467 4.377 1.00 0.00 H +HETATM 433 C1 HMW A 37 24.139 7.375 28.853 1.00 0.00 C +HETATM 434 C2 HMW A 37 23.628 5.986 28.695 1.00 0.00 C +HETATM 435 C3 HMW A 37 23.757 5.262 30.030 1.00 0.00 C +HETATM 436 O1 HMW A 37 23.031 4.027 29.959 1.00 0.00 O +HETATM 437 H1 HMW A 37 25.209 7.316 29.058 1.00 0.00 H +HETATM 438 H2 HMW A 37 24.116 8.000 27.960 1.00 0.00 H +HETATM 439 H3 HMW A 37 23.677 7.889 29.696 1.00 0.00 H +HETATM 440 H4 HMW A 37 22.606 6.026 28.316 1.00 0.00 H +HETATM 441 H5 HMW A 37 24.226 5.471 27.943 1.00 0.00 H +HETATM 442 H6 HMW A 37 23.402 5.870 30.862 1.00 0.00 H +HETATM 443 H7 HMW A 37 24.823 5.132 30.220 1.00 0.00 H +HETATM 444 H8 HMW A 37 23.375 3.386 30.617 1.00 0.00 H +HETATM 445 C1 HMW A 38 11.234 1.011 11.488 1.00 0.00 C +HETATM 446 C2 HMW A 38 11.046 2.408 12.057 1.00 0.00 C +HETATM 447 C3 HMW A 38 9.626 2.529 12.713 1.00 0.00 C +HETATM 448 O1 HMW A 38 9.422 1.601 13.775 1.00 0.00 O +HETATM 449 H1 HMW A 38 10.566 0.915 10.632 1.00 0.00 H +HETATM 450 H2 HMW A 38 12.245 0.946 11.086 1.00 0.00 H +HETATM 451 H3 HMW A 38 11.140 0.212 12.224 1.00 0.00 H +HETATM 452 H4 HMW A 38 11.820 2.579 12.805 1.00 0.00 H +HETATM 453 H5 HMW A 38 11.094 3.079 11.198 1.00 0.00 H +HETATM 454 H6 HMW A 38 8.877 2.488 11.921 1.00 0.00 H +HETATM 455 H7 HMW A 38 9.428 3.525 13.109 1.00 0.00 H +HETATM 456 H8 HMW A 38 10.168 1.488 14.402 1.00 0.00 H +HETATM 457 C1 HMW A 39 8.450 20.408 3.797 1.00 0.00 C +HETATM 458 C2 HMW A 39 7.506 19.293 3.320 1.00 0.00 C +HETATM 459 C3 HMW A 39 7.337 19.102 1.773 1.00 0.00 C +HETATM 460 O1 HMW A 39 6.682 20.246 1.377 1.00 0.00 O +HETATM 461 H1 HMW A 39 8.455 20.469 4.886 1.00 0.00 H +HETATM 462 H2 HMW A 39 9.479 20.295 3.454 1.00 0.00 H +HETATM 463 H3 HMW A 39 8.113 21.371 3.414 1.00 0.00 H +HETATM 464 H4 HMW A 39 7.908 18.354 3.700 1.00 0.00 H +HETATM 465 H5 HMW A 39 6.504 19.408 3.733 1.00 0.00 H +HETATM 466 H6 HMW A 39 6.644 18.279 1.596 1.00 0.00 H +HETATM 467 H7 HMW A 39 8.274 18.974 1.231 1.00 0.00 H +HETATM 468 H8 HMW A 39 5.772 20.291 1.744 1.00 0.00 H +HETATM 469 C1 HMW A 40 13.348 7.265 17.049 1.00 0.00 C +HETATM 470 C2 HMW A 40 12.142 8.125 16.517 1.00 0.00 C +HETATM 471 C3 HMW A 40 11.299 8.413 17.702 1.00 0.00 C +HETATM 472 O1 HMW A 40 10.495 7.328 18.060 1.00 0.00 O +HETATM 473 H1 HMW A 40 13.931 7.969 17.643 1.00 0.00 H +HETATM 474 H2 HMW A 40 13.088 6.332 17.550 1.00 0.00 H +HETATM 475 H3 HMW A 40 13.912 6.988 16.158 1.00 0.00 H +HETATM 476 H4 HMW A 40 12.633 9.003 16.096 1.00 0.00 H +HETATM 477 H5 HMW A 40 11.688 7.536 15.720 1.00 0.00 H +HETATM 478 H6 HMW A 40 10.668 9.234 17.362 1.00 0.00 H +HETATM 479 H7 HMW A 40 11.918 8.872 18.474 1.00 0.00 H +HETATM 480 H8 HMW A 40 9.796 7.208 17.381 1.00 0.00 H +HETATM 481 C1 HMW A 41 26.713 22.738 33.136 1.00 0.00 C +HETATM 482 C2 HMW A 41 25.883 21.725 32.467 1.00 0.00 C +HETATM 483 C3 HMW A 41 26.607 20.295 32.429 1.00 0.00 C +HETATM 484 O1 HMW A 41 25.823 19.373 31.707 1.00 0.00 O +HETATM 485 H1 HMW A 41 26.172 23.682 33.199 1.00 0.00 H +HETATM 486 H2 HMW A 41 26.995 22.417 34.139 1.00 0.00 H +HETATM 487 H3 HMW A 41 27.618 22.762 32.528 1.00 0.00 H +HETATM 488 H4 HMW A 41 24.898 21.675 32.931 1.00 0.00 H +HETATM 489 H5 HMW A 41 25.741 22.125 31.463 1.00 0.00 H +HETATM 490 H6 HMW A 41 26.700 19.855 33.422 1.00 0.00 H +HETATM 491 H7 HMW A 41 27.572 20.434 31.942 1.00 0.00 H +HETATM 492 H8 HMW A 41 26.021 18.417 31.804 1.00 0.00 H +HETATM 493 C1 HMW A 42 -6.469 5.392 22.923 1.00 0.00 C +HETATM 494 C2 HMW A 42 -5.547 4.316 22.248 1.00 0.00 C +HETATM 495 C3 HMW A 42 -5.297 4.618 20.789 1.00 0.00 C +HETATM 496 O1 HMW A 42 -4.526 5.814 20.670 1.00 0.00 O +HETATM 497 H1 HMW A 42 -6.018 6.384 22.902 1.00 0.00 H +HETATM 498 H2 HMW A 42 -7.457 5.323 22.467 1.00 0.00 H +HETATM 499 H3 HMW A 42 -6.558 5.111 23.973 1.00 0.00 H +HETATM 500 H4 HMW A 42 -4.599 4.375 22.784 1.00 0.00 H +HETATM 501 H5 HMW A 42 -5.998 3.324 22.296 1.00 0.00 H +HETATM 502 H6 HMW A 42 -6.260 4.842 20.330 1.00 0.00 H +HETATM 503 H7 HMW A 42 -4.836 3.750 20.318 1.00 0.00 H +HETATM 504 H8 HMW A 42 -3.729 5.741 21.237 1.00 0.00 H +HETATM 505 C1 HMW A 43 5.571 8.626 32.065 1.00 0.00 C +HETATM 506 C2 HMW A 43 6.006 9.862 32.818 1.00 0.00 C +HETATM 507 C3 HMW A 43 5.685 11.230 32.124 1.00 0.00 C +HETATM 508 O1 HMW A 43 4.217 11.226 32.093 1.00 0.00 O +HETATM 509 H1 HMW A 43 5.711 8.715 30.987 1.00 0.00 H +HETATM 510 H2 HMW A 43 6.099 7.746 32.432 1.00 0.00 H +HETATM 511 H3 HMW A 43 4.513 8.474 32.279 1.00 0.00 H +HETATM 512 H4 HMW A 43 5.827 9.873 33.893 1.00 0.00 H +HETATM 513 H5 HMW A 43 7.089 9.844 32.936 1.00 0.00 H +HETATM 514 H6 HMW A 43 6.100 11.414 31.133 1.00 0.00 H +HETATM 515 H7 HMW A 43 6.017 12.028 32.787 1.00 0.00 H +HETATM 516 H8 HMW A 43 3.883 10.346 31.815 1.00 0.00 H +HETATM 517 C1 HMW A 44 -0.118 -0.975 17.611 1.00 0.00 C +HETATM 518 C2 HMW A 44 -0.233 -1.816 18.882 1.00 0.00 C +HETATM 519 C3 HMW A 44 0.945 -2.689 19.004 1.00 0.00 C +HETATM 520 O1 HMW A 44 2.149 -2.033 19.357 1.00 0.00 O +HETATM 521 H1 HMW A 44 0.692 -0.275 17.815 1.00 0.00 H +HETATM 522 H2 HMW A 44 0.300 -1.469 16.734 1.00 0.00 H +HETATM 523 H3 HMW A 44 -1.007 -0.446 17.266 1.00 0.00 H +HETATM 524 H4 HMW A 44 -0.381 -1.200 19.769 1.00 0.00 H +HETATM 525 H5 HMW A 44 -1.054 -2.524 18.768 1.00 0.00 H +HETATM 526 H6 HMW A 44 1.187 -3.365 18.184 1.00 0.00 H +HETATM 527 H7 HMW A 44 0.608 -3.236 19.885 1.00 0.00 H +HETATM 528 H8 HMW A 44 1.999 -1.318 20.011 1.00 0.00 H +HETATM 529 C1 HMW A 45 6.891 10.078 27.862 1.00 0.00 C +HETATM 530 C2 HMW A 45 6.771 8.599 27.548 1.00 0.00 C +HETATM 531 C3 HMW A 45 8.145 7.852 27.703 1.00 0.00 C +HETATM 532 O1 HMW A 45 9.325 8.522 27.126 1.00 0.00 O +HETATM 533 H1 HMW A 45 5.919 10.565 27.779 1.00 0.00 H +HETATM 534 H2 HMW A 45 7.247 10.192 28.886 1.00 0.00 H +HETATM 535 H3 HMW A 45 7.624 10.509 27.179 1.00 0.00 H +HETATM 536 H4 HMW A 45 6.088 8.095 28.232 1.00 0.00 H +HETATM 537 H5 HMW A 45 6.317 8.426 26.572 1.00 0.00 H +HETATM 538 H6 HMW A 45 8.137 6.823 27.345 1.00 0.00 H +HETATM 539 H7 HMW A 45 8.215 7.756 28.787 1.00 0.00 H +HETATM 540 H8 HMW A 45 9.317 8.554 26.146 1.00 0.00 H +HETATM 541 C1 HMW A 46 8.051 3.083 21.384 1.00 0.00 C +HETATM 542 C2 HMW A 46 7.325 1.682 21.069 1.00 0.00 C +HETATM 543 C3 HMW A 46 6.150 1.452 22.010 1.00 0.00 C +HETATM 544 O1 HMW A 46 5.585 0.162 21.772 1.00 0.00 O +HETATM 545 H1 HMW A 46 7.191 3.753 21.416 1.00 0.00 H +HETATM 546 H2 HMW A 46 8.424 2.999 22.405 1.00 0.00 H +HETATM 547 H3 HMW A 46 8.709 3.361 20.561 1.00 0.00 H +HETATM 548 H4 HMW A 46 6.932 1.663 20.052 1.00 0.00 H +HETATM 549 H5 HMW A 46 8.087 0.918 21.222 1.00 0.00 H +HETATM 550 H6 HMW A 46 5.393 2.236 22.011 1.00 0.00 H +HETATM 551 H7 HMW A 46 6.603 1.505 23.001 1.00 0.00 H +HETATM 552 H8 HMW A 46 4.774 0.071 22.317 1.00 0.00 H +HETATM 553 C1 HMW A 47 9.977 21.104 18.265 1.00 0.00 C +HETATM 554 C2 HMW A 47 8.523 20.640 18.488 1.00 0.00 C +HETATM 555 C3 HMW A 47 8.310 19.124 18.091 1.00 0.00 C +HETATM 556 O1 HMW A 47 8.563 18.934 16.701 1.00 0.00 O +HETATM 557 H1 HMW A 47 10.061 21.653 17.327 1.00 0.00 H +HETATM 558 H2 HMW A 47 10.378 21.724 19.068 1.00 0.00 H +HETATM 559 H3 HMW A 47 10.593 20.216 18.123 1.00 0.00 H +HETATM 560 H4 HMW A 47 8.207 20.752 19.525 1.00 0.00 H +HETATM 561 H5 HMW A 47 7.812 21.230 17.909 1.00 0.00 H +HETATM 562 H6 HMW A 47 7.276 18.834 18.280 1.00 0.00 H +HETATM 563 H7 HMW A 47 8.914 18.405 18.644 1.00 0.00 H +HETATM 564 H8 HMW A 47 8.815 17.994 16.583 1.00 0.00 H +HETATM 565 C1 HMW A 48 4.759 6.428 24.203 1.00 0.00 C +HETATM 566 C2 HMW A 48 4.695 7.713 23.349 1.00 0.00 C +HETATM 567 C3 HMW A 48 4.730 7.448 21.862 1.00 0.00 C +HETATM 568 O1 HMW A 48 3.546 6.742 21.339 1.00 0.00 O +HETATM 569 H1 HMW A 48 4.002 5.695 23.925 1.00 0.00 H +HETATM 570 H2 HMW A 48 5.726 5.959 24.021 1.00 0.00 H +HETATM 571 H3 HMW A 48 4.657 6.645 25.267 1.00 0.00 H +HETATM 572 H4 HMW A 48 3.767 8.212 23.631 1.00 0.00 H +HETATM 573 H5 HMW A 48 5.517 8.355 23.664 1.00 0.00 H +HETATM 574 H6 HMW A 48 5.666 6.937 21.636 1.00 0.00 H +HETATM 575 H7 HMW A 48 4.794 8.452 21.443 1.00 0.00 H +HETATM 576 H8 HMW A 48 3.601 6.577 20.374 1.00 0.00 H +HETATM 577 C1 HMW A 49 8.750 25.828 17.176 1.00 0.00 C +HETATM 578 C2 HMW A 49 9.053 24.395 16.592 1.00 0.00 C +HETATM 579 C3 HMW A 49 9.374 24.489 15.113 1.00 0.00 C +HETATM 580 O1 HMW A 49 10.096 23.347 14.877 1.00 0.00 O +HETATM 581 H1 HMW A 49 8.331 25.678 18.171 1.00 0.00 H +HETATM 582 H2 HMW A 49 9.703 26.331 17.338 1.00 0.00 H +HETATM 583 H3 HMW A 49 8.096 26.467 16.581 1.00 0.00 H +HETATM 584 H4 HMW A 49 9.887 23.983 17.162 1.00 0.00 H +HETATM 585 H5 HMW A 49 8.215 23.707 16.702 1.00 0.00 H +HETATM 586 H6 HMW A 49 10.004 25.341 14.858 1.00 0.00 H +HETATM 587 H7 HMW A 49 8.449 24.602 14.547 1.00 0.00 H +HETATM 588 H8 HMW A 49 9.601 22.519 15.054 1.00 0.00 H +HETATM 589 C1 HMW A 50 17.459 17.354 12.001 1.00 0.00 C +HETATM 590 C2 HMW A 50 17.461 15.845 11.837 1.00 0.00 C +HETATM 591 C3 HMW A 50 16.827 15.295 13.196 1.00 0.00 C +HETATM 592 O1 HMW A 50 16.837 13.848 13.139 1.00 0.00 O +HETATM 593 H1 HMW A 50 17.772 18.047 11.220 1.00 0.00 H +HETATM 594 H2 HMW A 50 16.490 17.644 12.406 1.00 0.00 H +HETATM 595 H3 HMW A 50 18.149 17.503 12.832 1.00 0.00 H +HETATM 596 H4 HMW A 50 16.889 15.508 10.972 1.00 0.00 H +HETATM 597 H5 HMW A 50 18.482 15.467 11.782 1.00 0.00 H +HETATM 598 H6 HMW A 50 15.847 15.759 13.310 1.00 0.00 H +HETATM 599 H7 HMW A 50 17.329 15.540 14.132 1.00 0.00 H +HETATM 600 H8 HMW A 50 16.407 13.472 13.936 1.00 0.00 H +HETATM 601 C1 HMW A 51 3.777 20.784 9.777 1.00 0.00 C +HETATM 602 C2 HMW A 51 2.545 20.641 8.844 1.00 0.00 C +HETATM 603 C3 HMW A 51 2.599 19.611 7.703 1.00 0.00 C +HETATM 604 O1 HMW A 51 3.793 19.811 6.866 1.00 0.00 O +HETATM 605 H1 HMW A 51 3.592 21.654 10.406 1.00 0.00 H +HETATM 606 H2 HMW A 51 3.863 19.838 10.311 1.00 0.00 H +HETATM 607 H3 HMW A 51 4.668 20.971 9.178 1.00 0.00 H +HETATM 608 H4 HMW A 51 1.691 20.320 9.441 1.00 0.00 H +HETATM 609 H5 HMW A 51 2.291 21.647 8.509 1.00 0.00 H +HETATM 610 H6 HMW A 51 1.717 19.661 7.065 1.00 0.00 H +HETATM 611 H7 HMW A 51 2.661 18.598 8.102 1.00 0.00 H +HETATM 612 H8 HMW A 51 3.733 19.219 6.086 1.00 0.00 H +HETATM 613 C1 HMW A 52 -2.178 -11.774 20.704 1.00 0.00 C +HETATM 614 C2 HMW A 52 -2.069 -13.075 19.941 1.00 0.00 C +HETATM 615 C3 HMW A 52 -0.729 -13.667 19.737 1.00 0.00 C +HETATM 616 O1 HMW A 52 0.185 -12.644 19.145 1.00 0.00 O +HETATM 617 H1 HMW A 52 -1.827 -11.882 21.730 1.00 0.00 H +HETATM 618 H2 HMW A 52 -1.408 -11.085 20.356 1.00 0.00 H +HETATM 619 H3 HMW A 52 -3.186 -11.365 20.771 1.00 0.00 H +HETATM 620 H4 HMW A 52 -2.686 -13.802 20.469 1.00 0.00 H +HETATM 621 H5 HMW A 52 -2.489 -13.000 18.938 1.00 0.00 H +HETATM 622 H6 HMW A 52 -0.758 -14.434 18.963 1.00 0.00 H +HETATM 623 H7 HMW A 52 -0.281 -14.085 20.638 1.00 0.00 H +HETATM 624 H8 HMW A 52 -0.237 -12.084 18.460 1.00 0.00 H +HETATM 625 C1 HMW A 53 19.757 4.013 9.354 1.00 0.00 C +HETATM 626 C2 HMW A 53 19.156 5.065 10.275 1.00 0.00 C +HETATM 627 C3 HMW A 53 19.140 6.416 9.663 1.00 0.00 C +HETATM 628 O1 HMW A 53 19.135 7.468 10.629 1.00 0.00 O +HETATM 629 H1 HMW A 53 20.738 4.160 8.900 1.00 0.00 H +HETATM 630 H2 HMW A 53 19.694 3.071 9.900 1.00 0.00 H +HETATM 631 H3 HMW A 53 19.097 3.957 8.489 1.00 0.00 H +HETATM 632 H4 HMW A 53 18.149 4.795 10.594 1.00 0.00 H +HETATM 633 H5 HMW A 53 19.687 4.999 11.224 1.00 0.00 H +HETATM 634 H6 HMW A 53 18.236 6.500 9.059 1.00 0.00 H +HETATM 635 H7 HMW A 53 19.951 6.488 8.937 1.00 0.00 H +HETATM 636 H8 HMW A 53 19.383 8.336 10.246 1.00 0.00 H +HETATM 637 C1 HMW A 54 5.198 20.362 13.359 1.00 0.00 C +HETATM 638 C2 HMW A 54 6.598 20.048 13.923 1.00 0.00 C +HETATM 639 C3 HMW A 54 6.983 21.253 14.710 1.00 0.00 C +HETATM 640 O1 HMW A 54 8.373 21.096 15.011 1.00 0.00 O +HETATM 641 H1 HMW A 54 4.636 20.961 14.075 1.00 0.00 H +HETATM 642 H2 HMW A 54 5.204 20.932 12.429 1.00 0.00 H +HETATM 643 H3 HMW A 54 4.525 19.517 13.213 1.00 0.00 H +HETATM 644 H4 HMW A 54 6.477 19.127 14.494 1.00 0.00 H +HETATM 645 H5 HMW A 54 7.266 19.858 13.083 1.00 0.00 H +HETATM 646 H6 HMW A 54 6.319 21.321 15.572 1.00 0.00 H +HETATM 647 H7 HMW A 54 6.834 22.160 14.123 1.00 0.00 H +HETATM 648 H8 HMW A 54 8.601 20.284 15.513 1.00 0.00 H +HETATM 649 C1 HMW A 55 12.778 16.600 11.541 1.00 0.00 C +HETATM 650 C2 HMW A 55 13.047 16.258 12.943 1.00 0.00 C +HETATM 651 C3 HMW A 55 13.283 14.769 13.241 1.00 0.00 C +HETATM 652 O1 HMW A 55 12.094 14.050 13.189 1.00 0.00 O +HETATM 653 H1 HMW A 55 13.663 16.603 10.905 1.00 0.00 H +HETATM 654 H2 HMW A 55 11.870 16.126 11.166 1.00 0.00 H +HETATM 655 H3 HMW A 55 12.499 17.653 11.493 1.00 0.00 H +HETATM 656 H4 HMW A 55 13.943 16.722 13.357 1.00 0.00 H +HETATM 657 H5 HMW A 55 12.236 16.592 13.590 1.00 0.00 H +HETATM 658 H6 HMW A 55 13.803 14.690 14.196 1.00 0.00 H +HETATM 659 H7 HMW A 55 13.948 14.324 12.500 1.00 0.00 H +HETATM 660 H8 HMW A 55 11.680 14.184 14.068 1.00 0.00 H +HETATM 661 C1 HMW A 56 18.913 21.473 10.662 1.00 0.00 C +HETATM 662 C2 HMW A 56 20.363 21.808 10.206 1.00 0.00 C +HETATM 663 C3 HMW A 56 20.511 23.076 9.397 1.00 0.00 C +HETATM 664 O1 HMW A 56 19.633 24.120 9.902 1.00 0.00 O +HETATM 665 H1 HMW A 56 18.309 21.290 9.774 1.00 0.00 H +HETATM 666 H2 HMW A 56 18.938 20.486 11.126 1.00 0.00 H +HETATM 667 H3 HMW A 56 18.433 22.246 11.262 1.00 0.00 H +HETATM 668 H4 HMW A 56 21.022 21.900 11.070 1.00 0.00 H +HETATM 669 H5 HMW A 56 20.782 21.016 9.586 1.00 0.00 H +HETATM 670 H6 HMW A 56 20.168 22.818 8.395 1.00 0.00 H +HETATM 671 H7 HMW A 56 21.541 23.421 9.484 1.00 0.00 H +HETATM 672 H8 HMW A 56 19.719 24.129 10.879 1.00 0.00 H +HETATM 673 C1 HMW A 57 -0.747 16.484 8.617 1.00 0.00 C +HETATM 674 C2 HMW A 57 -1.224 16.558 7.172 1.00 0.00 C +HETATM 675 C3 HMW A 57 -0.065 16.487 6.102 1.00 0.00 C +HETATM 676 O1 HMW A 57 -0.629 16.703 4.860 1.00 0.00 O +HETATM 677 H1 HMW A 57 -1.574 16.393 9.321 1.00 0.00 H +HETATM 678 H2 HMW A 57 -0.187 15.561 8.773 1.00 0.00 H +HETATM 679 H3 HMW A 57 -0.157 17.376 8.829 1.00 0.00 H +HETATM 680 H4 HMW A 57 -1.980 15.789 7.012 1.00 0.00 H +HETATM 681 H5 HMW A 57 -1.794 17.461 6.957 1.00 0.00 H +HETATM 682 H6 HMW A 57 0.419 15.511 6.083 1.00 0.00 H +HETATM 683 H7 HMW A 57 0.681 17.252 6.320 1.00 0.00 H +HETATM 684 H8 HMW A 57 0.012 16.712 4.117 1.00 0.00 H +HETATM 685 C1 HMW A 58 -4.062 8.523 23.144 1.00 0.00 C +HETATM 686 C2 HMW A 58 -3.161 9.633 22.494 1.00 0.00 C +HETATM 687 C3 HMW A 58 -2.488 9.200 21.154 1.00 0.00 C +HETATM 688 O1 HMW A 58 -1.515 8.140 21.552 1.00 0.00 O +HETATM 689 H1 HMW A 58 -3.504 7.614 23.369 1.00 0.00 H +HETATM 690 H2 HMW A 58 -4.355 8.890 24.128 1.00 0.00 H +HETATM 691 H3 HMW A 58 -4.932 8.308 22.523 1.00 0.00 H +HETATM 692 H4 HMW A 58 -3.776 10.508 22.286 1.00 0.00 H +HETATM 693 H5 HMW A 58 -2.414 9.887 23.246 1.00 0.00 H +HETATM 694 H6 HMW A 58 -1.931 10.014 20.690 1.00 0.00 H +HETATM 695 H7 HMW A 58 -3.212 8.693 20.516 1.00 0.00 H +HETATM 696 H8 HMW A 58 -1.885 7.378 22.047 1.00 0.00 H +HETATM 697 C1 HMW A 59 12.969 22.077 22.367 1.00 0.00 C +HETATM 698 C2 HMW A 59 11.856 22.167 21.325 1.00 0.00 C +HETATM 699 C3 HMW A 59 10.650 22.945 21.938 1.00 0.00 C +HETATM 700 O1 HMW A 59 9.974 22.276 22.944 1.00 0.00 O +HETATM 701 H1 HMW A 59 12.719 21.404 23.188 1.00 0.00 H +HETATM 702 H2 HMW A 59 13.904 21.808 21.875 1.00 0.00 H +HETATM 703 H3 HMW A 59 13.078 23.015 22.913 1.00 0.00 H +HETATM 704 H4 HMW A 59 12.201 22.645 20.408 1.00 0.00 H +HETATM 705 H5 HMW A 59 11.611 21.155 21.001 1.00 0.00 H +HETATM 706 H6 HMW A 59 10.014 23.197 21.089 1.00 0.00 H +HETATM 707 H7 HMW A 59 10.949 23.905 22.360 1.00 0.00 H +HETATM 708 H8 HMW A 59 9.267 22.800 23.377 1.00 0.00 H +HETATM 709 C1 HMW A 60 28.055 2.047 28.001 1.00 0.00 C +HETATM 710 C2 HMW A 60 29.334 2.649 27.486 1.00 0.00 C +HETATM 711 C3 HMW A 60 30.078 1.587 26.613 1.00 0.00 C +HETATM 712 O1 HMW A 60 29.467 1.248 25.335 1.00 0.00 O +HETATM 713 H1 HMW A 60 28.265 1.185 28.634 1.00 0.00 H +HETATM 714 H2 HMW A 60 27.423 2.734 28.563 1.00 0.00 H +HETATM 715 H3 HMW A 60 27.407 1.602 27.246 1.00 0.00 H +HETATM 716 H4 HMW A 60 29.095 3.595 27.001 1.00 0.00 H +HETATM 717 H5 HMW A 60 29.929 2.921 28.358 1.00 0.00 H +HETATM 718 H6 HMW A 60 30.314 0.645 27.107 1.00 0.00 H +HETATM 719 H7 HMW A 60 31.016 2.086 26.367 1.00 0.00 H +HETATM 720 H8 HMW A 60 30.014 0.665 24.767 1.00 0.00 H +HETATM 721 C1 HMW A 61 19.537 -5.907 29.740 1.00 0.00 C +HETATM 722 C2 HMW A 61 19.337 -4.979 30.844 1.00 0.00 C +HETATM 723 C3 HMW A 61 18.271 -5.518 31.821 1.00 0.00 C +HETATM 724 O1 HMW A 61 16.864 -5.351 31.492 1.00 0.00 O +HETATM 725 H1 HMW A 61 20.173 -5.422 29.000 1.00 0.00 H +HETATM 726 H2 HMW A 61 20.070 -6.812 30.034 1.00 0.00 H +HETATM 727 H3 HMW A 61 18.625 -6.164 29.200 1.00 0.00 H +HETATM 728 H4 HMW A 61 20.276 -5.025 31.396 1.00 0.00 H +HETATM 729 H5 HMW A 61 19.132 -3.996 30.420 1.00 0.00 H +HETATM 730 H6 HMW A 61 18.415 -5.073 32.806 1.00 0.00 H +HETATM 731 H7 HMW A 61 18.481 -6.563 32.047 1.00 0.00 H +HETATM 732 H8 HMW A 61 16.684 -4.432 31.198 1.00 0.00 H +HETATM 733 C1 HMW A 62 14.479 6.722 11.046 1.00 0.00 C +HETATM 734 C2 HMW A 62 14.839 7.257 12.460 1.00 0.00 C +HETATM 735 C3 HMW A 62 13.755 7.927 13.231 1.00 0.00 C +HETATM 736 O1 HMW A 62 12.722 6.978 13.545 1.00 0.00 O +HETATM 737 H1 HMW A 62 13.925 7.468 10.477 1.00 0.00 H +HETATM 738 H2 HMW A 62 15.355 6.424 10.469 1.00 0.00 H +HETATM 739 H3 HMW A 62 13.811 5.872 11.187 1.00 0.00 H +HETATM 740 H4 HMW A 62 15.234 6.475 13.109 1.00 0.00 H +HETATM 741 H5 HMW A 62 15.582 8.040 12.312 1.00 0.00 H +HETATM 742 H6 HMW A 62 13.345 8.775 12.682 1.00 0.00 H +HETATM 743 H7 HMW A 62 14.106 8.301 14.193 1.00 0.00 H +HETATM 744 H8 HMW A 62 13.010 6.214 14.089 1.00 0.00 H +HETATM 745 C1 HMW A 63 22.610 -9.356 -8.460 1.00 0.00 C +HETATM 746 C2 HMW A 63 23.167 -8.107 -7.892 1.00 0.00 C +HETATM 747 C3 HMW A 63 23.806 -7.170 -8.972 1.00 0.00 C +HETATM 748 O1 HMW A 63 25.036 -7.758 -9.461 1.00 0.00 O +HETATM 749 H1 HMW A 63 23.344 -10.110 -8.745 1.00 0.00 H +HETATM 750 H2 HMW A 63 21.918 -9.792 -7.739 1.00 0.00 H +HETATM 751 H3 HMW A 63 22.002 -9.069 -9.318 1.00 0.00 H +HETATM 752 H4 HMW A 63 22.324 -7.638 -7.383 1.00 0.00 H +HETATM 753 H5 HMW A 63 23.862 -8.324 -7.080 1.00 0.00 H +HETATM 754 H6 HMW A 63 24.000 -6.174 -8.575 1.00 0.00 H +HETATM 755 H7 HMW A 63 23.037 -7.068 -9.737 1.00 0.00 H +HETATM 756 H8 HMW A 63 25.506 -7.121 -10.042 1.00 0.00 H +HETATM 757 C1 HMW A 64 9.951 8.204 4.832 1.00 0.00 C +HETATM 758 C2 HMW A 64 10.910 7.661 3.694 1.00 0.00 C +HETATM 759 C3 HMW A 64 11.658 8.664 2.844 1.00 0.00 C +HETATM 760 O1 HMW A 64 10.864 9.606 2.146 1.00 0.00 O +HETATM 761 H1 HMW A 64 8.954 8.377 4.428 1.00 0.00 H +HETATM 762 H2 HMW A 64 9.897 7.488 5.652 1.00 0.00 H +HETATM 763 H3 HMW A 64 10.343 9.135 5.242 1.00 0.00 H +HETATM 764 H4 HMW A 64 11.592 6.923 4.114 1.00 0.00 H +HETATM 765 H5 HMW A 64 10.306 6.955 3.124 1.00 0.00 H +HETATM 766 H6 HMW A 64 12.220 8.108 2.094 1.00 0.00 H +HETATM 767 H7 HMW A 64 12.316 9.248 3.487 1.00 0.00 H +HETATM 768 H8 HMW A 64 10.222 9.204 1.522 1.00 0.00 H +HETATM 769 C1 HMW A 65 15.387 18.798 22.564 1.00 0.00 C +HETATM 770 C2 HMW A 65 14.557 17.698 21.811 1.00 0.00 C +HETATM 771 C3 HMW A 65 15.190 16.893 20.752 1.00 0.00 C +HETATM 772 O1 HMW A 65 15.349 17.472 19.471 1.00 0.00 O +HETATM 773 H1 HMW A 65 16.174 18.346 23.168 1.00 0.00 H +HETATM 774 H2 HMW A 65 15.852 19.507 21.880 1.00 0.00 H +HETATM 775 H3 HMW A 65 14.700 19.353 23.204 1.00 0.00 H +HETATM 776 H4 HMW A 65 14.025 17.118 22.565 1.00 0.00 H +HETATM 777 H5 HMW A 65 13.804 18.314 21.320 1.00 0.00 H +HETATM 778 H6 HMW A 65 14.590 15.994 20.613 1.00 0.00 H +HETATM 779 H7 HMW A 65 16.182 16.577 21.077 1.00 0.00 H +HETATM 780 H8 HMW A 65 14.615 18.091 19.270 1.00 0.00 H +HETATM 781 C1 HMW A 66 -4.218 1.717 27.194 1.00 0.00 C +HETATM 782 C2 HMW A 66 -3.349 2.773 26.472 1.00 0.00 C +HETATM 783 C3 HMW A 66 -4.059 3.894 25.727 1.00 0.00 C +HETATM 784 O1 HMW A 66 -3.167 4.563 24.872 1.00 0.00 O +HETATM 785 H1 HMW A 66 -3.531 0.974 27.599 1.00 0.00 H +HETATM 786 H2 HMW A 66 -4.899 2.166 27.917 1.00 0.00 H +HETATM 787 H3 HMW A 66 -4.827 1.231 26.431 1.00 0.00 H +HETATM 788 H4 HMW A 66 -2.611 3.286 27.089 1.00 0.00 H +HETATM 789 H5 HMW A 66 -2.716 2.206 25.789 1.00 0.00 H +HETATM 790 H6 HMW A 66 -4.543 4.559 26.442 1.00 0.00 H +HETATM 791 H7 HMW A 66 -4.857 3.444 25.136 1.00 0.00 H +HETATM 792 H8 HMW A 66 -2.362 4.910 25.312 1.00 0.00 H +HETATM 793 C1 HMW A 67 5.156 23.928 15.516 1.00 0.00 C +HETATM 794 C2 HMW A 67 4.843 25.172 16.433 1.00 0.00 C +HETATM 795 C3 HMW A 67 3.391 25.743 16.230 1.00 0.00 C +HETATM 796 O1 HMW A 67 3.193 26.347 14.971 1.00 0.00 O +HETATM 797 H1 HMW A 67 4.811 23.998 14.484 1.00 0.00 H +HETATM 798 H2 HMW A 67 6.244 23.928 15.459 1.00 0.00 H +HETATM 799 H3 HMW A 67 4.698 23.048 15.969 1.00 0.00 H +HETATM 800 H4 HMW A 67 4.929 24.726 17.424 1.00 0.00 H +HETATM 801 H5 HMW A 67 5.616 25.919 16.249 1.00 0.00 H +HETATM 802 H6 HMW A 67 3.108 26.458 17.003 1.00 0.00 H +HETATM 803 H7 HMW A 67 2.728 24.884 16.326 1.00 0.00 H +HETATM 804 H8 HMW A 67 3.798 27.109 14.840 1.00 0.00 H +HETATM 805 C1 HMW A 68 17.474 15.241 6.828 1.00 0.00 C +HETATM 806 C2 HMW A 68 16.582 14.101 7.134 1.00 0.00 C +HETATM 807 C3 HMW A 68 15.970 13.411 5.902 1.00 0.00 C +HETATM 808 O1 HMW A 68 17.041 12.770 5.122 1.00 0.00 O +HETATM 809 H1 HMW A 68 16.990 16.085 6.336 1.00 0.00 H +HETATM 810 H2 HMW A 68 17.909 15.611 7.757 1.00 0.00 H +HETATM 811 H3 HMW A 68 18.397 14.924 6.342 1.00 0.00 H +HETATM 812 H4 HMW A 68 17.140 13.357 7.703 1.00 0.00 H +HETATM 813 H5 HMW A 68 15.772 14.443 7.778 1.00 0.00 H +HETATM 814 H6 HMW A 68 15.487 14.128 5.238 1.00 0.00 H +HETATM 815 H7 HMW A 68 15.258 12.646 6.213 1.00 0.00 H +HETATM 816 H8 HMW A 68 16.638 12.108 4.522 1.00 0.00 H +HETATM 817 C1 HMW A 69 19.322 21.186 21.096 1.00 0.00 C +HETATM 818 C2 HMW A 69 19.009 22.527 21.690 1.00 0.00 C +HETATM 819 C3 HMW A 69 19.086 22.420 23.187 1.00 0.00 C +HETATM 820 O1 HMW A 69 19.043 23.709 23.780 1.00 0.00 O +HETATM 821 H1 HMW A 69 20.372 20.910 21.198 1.00 0.00 H +HETATM 822 H2 HMW A 69 18.779 20.400 21.622 1.00 0.00 H +HETATM 823 H3 HMW A 69 18.859 21.195 20.109 1.00 0.00 H +HETATM 824 H4 HMW A 69 19.779 23.187 21.289 1.00 0.00 H +HETATM 825 H5 HMW A 69 18.026 22.838 21.336 1.00 0.00 H +HETATM 826 H6 HMW A 69 19.991 21.887 23.479 1.00 0.00 H +HETATM 827 H7 HMW A 69 18.254 21.787 23.495 1.00 0.00 H +HETATM 828 H8 HMW A 69 18.164 24.115 23.623 1.00 0.00 H +HETATM 829 C1 HMW A 70 24.069 0.670 20.378 1.00 0.00 C +HETATM 830 C2 HMW A 70 24.538 1.366 21.573 1.00 0.00 C +HETATM 831 C3 HMW A 70 26.087 1.232 21.899 1.00 0.00 C +HETATM 832 O1 HMW A 70 26.899 1.890 20.922 1.00 0.00 O +HETATM 833 H1 HMW A 70 22.981 0.703 20.328 1.00 0.00 H +HETATM 834 H2 HMW A 70 24.368 1.174 19.459 1.00 0.00 H +HETATM 835 H3 HMW A 70 24.367 -0.378 20.423 1.00 0.00 H +HETATM 836 H4 HMW A 70 24.267 2.422 21.544 1.00 0.00 H +HETATM 837 H5 HMW A 70 23.954 0.923 22.380 1.00 0.00 H +HETATM 838 H6 HMW A 70 26.373 0.181 21.951 1.00 0.00 H +HETATM 839 H7 HMW A 70 26.233 1.576 22.923 1.00 0.00 H +HETATM 840 H8 HMW A 70 26.500 2.750 20.672 1.00 0.00 H +HETATM 841 C1 HMW A 71 11.227 17.682 28.638 1.00 0.00 C +HETATM 842 C2 HMW A 71 11.983 17.932 27.308 1.00 0.00 C +HETATM 843 C3 HMW A 71 11.334 17.122 26.171 1.00 0.00 C +HETATM 844 O1 HMW A 71 9.994 17.527 25.972 1.00 0.00 O +HETATM 845 H1 HMW A 71 11.585 18.375 29.400 1.00 0.00 H +HETATM 846 H2 HMW A 71 10.183 17.991 28.605 1.00 0.00 H +HETATM 847 H3 HMW A 71 11.214 16.656 29.006 1.00 0.00 H +HETATM 848 H4 HMW A 71 11.928 18.997 27.079 1.00 0.00 H +HETATM 849 H5 HMW A 71 13.046 17.692 27.342 1.00 0.00 H +HETATM 850 H6 HMW A 71 11.288 16.064 26.429 1.00 0.00 H +HETATM 851 H7 HMW A 71 11.860 17.227 25.221 1.00 0.00 H +HETATM 852 H8 HMW A 71 9.943 18.496 25.824 1.00 0.00 H +HETATM 853 C1 HMW A 72 -3.002 -4.354 13.585 1.00 0.00 C +HETATM 854 C2 HMW A 72 -2.546 -3.100 14.287 1.00 0.00 C +HETATM 855 C3 HMW A 72 -1.868 -3.460 15.579 1.00 0.00 C +HETATM 856 O1 HMW A 72 -0.606 -3.963 15.303 1.00 0.00 O +HETATM 857 H1 HMW A 72 -2.093 -4.773 13.154 1.00 0.00 H +HETATM 858 H2 HMW A 72 -3.489 -5.068 14.249 1.00 0.00 H +HETATM 859 H3 HMW A 72 -3.654 -4.002 12.785 1.00 0.00 H +HETATM 860 H4 HMW A 72 -1.972 -2.472 13.607 1.00 0.00 H +HETATM 861 H5 HMW A 72 -3.436 -2.564 14.618 1.00 0.00 H +HETATM 862 H6 HMW A 72 -2.437 -4.143 16.210 1.00 0.00 H +HETATM 863 H7 HMW A 72 -1.729 -2.543 16.152 1.00 0.00 H +HETATM 864 H8 HMW A 72 -0.066 -3.248 14.903 1.00 0.00 H +HETATM 865 C1 HMW A 73 -8.114 -14.624 42.967 1.00 0.00 C +HETATM 866 C2 HMW A 73 -9.442 -15.289 43.611 1.00 0.00 C +HETATM 867 C3 HMW A 73 -10.745 -14.987 42.882 1.00 0.00 C +HETATM 868 O1 HMW A 73 -11.011 -13.612 42.701 1.00 0.00 O +HETATM 869 H1 HMW A 73 -8.208 -13.551 42.793 1.00 0.00 H +HETATM 870 H2 HMW A 73 -7.216 -14.727 43.577 1.00 0.00 H +HETATM 871 H3 HMW A 73 -7.893 -15.005 41.970 1.00 0.00 H +HETATM 872 H4 HMW A 73 -9.341 -16.367 43.735 1.00 0.00 H +HETATM 873 H5 HMW A 73 -9.580 -14.976 44.646 1.00 0.00 H +HETATM 874 H6 HMW A 73 -11.550 -15.388 43.498 1.00 0.00 H +HETATM 875 H7 HMW A 73 -10.696 -15.589 41.974 1.00 0.00 H +HETATM 876 H8 HMW A 73 -11.047 -13.124 43.552 1.00 0.00 H +HETATM 877 C1 HMW A 74 23.004 6.729 15.110 1.00 0.00 C +HETATM 878 C2 HMW A 74 24.487 6.743 15.384 1.00 0.00 C +HETATM 879 C3 HMW A 74 25.292 6.974 14.101 1.00 0.00 C +HETATM 880 O1 HMW A 74 26.646 6.619 14.446 1.00 0.00 O +HETATM 881 H1 HMW A 74 22.688 7.711 14.756 1.00 0.00 H +HETATM 882 H2 HMW A 74 22.798 5.864 14.480 1.00 0.00 H +HETATM 883 H3 HMW A 74 22.501 6.448 16.035 1.00 0.00 H +HETATM 884 H4 HMW A 74 24.774 7.581 16.019 1.00 0.00 H +HETATM 885 H5 HMW A 74 24.680 5.773 15.841 1.00 0.00 H +HETATM 886 H6 HMW A 74 25.150 8.007 13.781 1.00 0.00 H +HETATM 887 H7 HMW A 74 25.049 6.270 13.305 1.00 0.00 H +HETATM 888 H8 HMW A 74 26.647 5.663 14.670 1.00 0.00 H +HETATM 889 C1 HMW A 75 -5.939 14.233 13.423 1.00 0.00 C +HETATM 890 C2 HMW A 75 -5.233 15.280 14.373 1.00 0.00 C +HETATM 891 C3 HMW A 75 -3.821 15.550 13.963 1.00 0.00 C +HETATM 892 O1 HMW A 75 -2.982 14.346 13.930 1.00 0.00 O +HETATM 893 H1 HMW A 75 -6.950 13.961 13.725 1.00 0.00 H +HETATM 894 H2 HMW A 75 -5.912 14.590 12.393 1.00 0.00 H +HETATM 895 H3 HMW A 75 -5.463 13.254 13.488 1.00 0.00 H +HETATM 896 H4 HMW A 75 -5.769 16.224 14.471 1.00 0.00 H +HETATM 897 H5 HMW A 75 -5.286 14.909 15.396 1.00 0.00 H +HETATM 898 H6 HMW A 75 -3.402 16.360 14.558 1.00 0.00 H +HETATM 899 H7 HMW A 75 -3.937 15.958 12.959 1.00 0.00 H +HETATM 900 H8 HMW A 75 -2.090 14.532 13.566 1.00 0.00 H +HETATM 901 C1 HMW A 76 8.038 13.998 7.963 1.00 0.00 C +HETATM 902 C2 HMW A 76 9.388 13.962 8.687 1.00 0.00 C +HETATM 903 C3 HMW A 76 9.097 13.952 10.166 1.00 0.00 C +HETATM 904 O1 HMW A 76 8.281 12.789 10.415 1.00 0.00 O +HETATM 905 H1 HMW A 76 7.340 14.739 8.352 1.00 0.00 H +HETATM 906 H2 HMW A 76 8.258 14.230 6.921 1.00 0.00 H +HETATM 907 H3 HMW A 76 7.522 13.039 7.910 1.00 0.00 H +HETATM 908 H4 HMW A 76 10.012 13.130 8.359 1.00 0.00 H +HETATM 909 H5 HMW A 76 10.000 14.845 8.501 1.00 0.00 H +HETATM 910 H6 HMW A 76 8.601 14.889 10.421 1.00 0.00 H +HETATM 911 H7 HMW A 76 10.021 13.794 10.721 1.00 0.00 H +HETATM 912 H8 HMW A 76 8.798 11.984 10.198 1.00 0.00 H +HETATM 913 C1 HMW A 77 10.892 19.206 9.292 1.00 0.00 C +HETATM 914 C2 HMW A 77 11.479 18.990 7.933 1.00 0.00 C +HETATM 915 C3 HMW A 77 10.480 18.731 6.797 1.00 0.00 C +HETATM 916 O1 HMW A 77 10.008 17.380 6.922 1.00 0.00 O +HETATM 917 H1 HMW A 77 10.154 20.003 9.193 1.00 0.00 H +HETATM 918 H2 HMW A 77 10.493 18.287 9.721 1.00 0.00 H +HETATM 919 H3 HMW A 77 11.717 19.521 9.931 1.00 0.00 H +HETATM 920 H4 HMW A 77 12.086 19.857 7.669 1.00 0.00 H +HETATM 921 H5 HMW A 77 12.119 18.115 8.051 1.00 0.00 H +HETATM 922 H6 HMW A 77 10.876 18.967 5.809 1.00 0.00 H +HETATM 923 H7 HMW A 77 9.694 19.470 6.952 1.00 0.00 H +HETATM 924 H8 HMW A 77 10.740 16.794 6.634 1.00 0.00 H +HETATM 925 C1 HMW A 78 15.088 5.722 20.806 1.00 0.00 C +HETATM 926 C2 HMW A 78 16.358 4.985 21.239 1.00 0.00 C +HETATM 927 C3 HMW A 78 16.247 4.205 22.555 1.00 0.00 C +HETATM 928 O1 HMW A 78 15.942 5.054 23.710 1.00 0.00 O +HETATM 929 H1 HMW A 78 15.221 6.156 19.815 1.00 0.00 H +HETATM 930 H2 HMW A 78 14.184 5.119 20.895 1.00 0.00 H +HETATM 931 H3 HMW A 78 14.881 6.490 21.551 1.00 0.00 H +HETATM 932 H4 HMW A 78 16.687 4.340 20.424 1.00 0.00 H +HETATM 933 H5 HMW A 78 17.208 5.647 21.407 1.00 0.00 H +HETATM 934 H6 HMW A 78 17.207 3.696 22.647 1.00 0.00 H +HETATM 935 H7 HMW A 78 15.522 3.392 22.507 1.00 0.00 H +HETATM 936 H8 HMW A 78 16.591 5.773 23.869 1.00 0.00 H +HETATM 937 C1 HMW A 79 23.879 2.840 10.738 1.00 0.00 C +HETATM 938 C2 HMW A 79 24.688 4.078 10.310 1.00 0.00 C +HETATM 939 C3 HMW A 79 23.829 5.403 10.314 1.00 0.00 C +HETATM 940 O1 HMW A 79 24.646 6.487 9.917 1.00 0.00 O +HETATM 941 H1 HMW A 79 24.540 1.979 10.639 1.00 0.00 H +HETATM 942 H2 HMW A 79 23.588 3.021 11.773 1.00 0.00 H +HETATM 943 H3 HMW A 79 22.957 2.702 10.173 1.00 0.00 H +HETATM 944 H4 HMW A 79 25.474 4.204 11.054 1.00 0.00 H +HETATM 945 H5 HMW A 79 25.190 3.884 9.362 1.00 0.00 H +HETATM 946 H6 HMW A 79 23.566 5.539 11.363 1.00 0.00 H +HETATM 947 H7 HMW A 79 22.963 5.317 9.656 1.00 0.00 H +HETATM 948 H8 HMW A 79 25.096 6.348 9.056 1.00 0.00 H +HETATM 949 C1 HMW A 80 1.902 9.465 18.671 1.00 0.00 C +HETATM 950 C2 HMW A 80 0.350 9.139 18.623 1.00 0.00 C +HETATM 951 C3 HMW A 80 -0.316 10.081 17.619 1.00 0.00 C +HETATM 952 O1 HMW A 80 0.010 9.606 16.364 1.00 0.00 O +HETATM 953 H1 HMW A 80 2.335 9.648 17.687 1.00 0.00 H +HETATM 954 H2 HMW A 80 2.108 10.281 19.363 1.00 0.00 H +HETATM 955 H3 HMW A 80 2.439 8.648 19.153 1.00 0.00 H +HETATM 956 H4 HMW A 80 0.209 8.076 18.428 1.00 0.00 H +HETATM 957 H5 HMW A 80 -0.021 9.392 19.616 1.00 0.00 H +HETATM 958 H6 HMW A 80 -0.006 11.109 17.807 1.00 0.00 H +HETATM 959 H7 HMW A 80 -1.383 10.057 17.839 1.00 0.00 H +HETATM 960 H8 HMW A 80 -0.607 9.969 15.693 1.00 0.00 H +HETATM 961 C1 HMW A 81 28.866 7.163 25.669 1.00 0.00 C +HETATM 962 C2 HMW A 81 27.457 7.722 25.844 1.00 0.00 C +HETATM 963 C3 HMW A 81 26.377 6.972 25.060 1.00 0.00 C +HETATM 964 O1 HMW A 81 26.261 5.639 25.555 1.00 0.00 O +HETATM 965 H1 HMW A 81 29.144 6.708 24.718 1.00 0.00 H +HETATM 966 H2 HMW A 81 29.621 7.902 25.935 1.00 0.00 H +HETATM 967 H3 HMW A 81 28.971 6.277 26.295 1.00 0.00 H +HETATM 968 H4 HMW A 81 27.191 7.895 26.887 1.00 0.00 H +HETATM 969 H5 HMW A 81 27.502 8.758 25.506 1.00 0.00 H +HETATM 970 H6 HMW A 81 26.631 6.983 24.000 1.00 0.00 H +HETATM 971 H7 HMW A 81 25.414 7.417 25.312 1.00 0.00 H +HETATM 972 H8 HMW A 81 27.077 5.147 25.321 1.00 0.00 H +HETATM 973 C1 HMW A 82 10.690 7.242 8.835 1.00 0.00 C +HETATM 974 C2 HMW A 82 10.963 8.775 8.969 1.00 0.00 C +HETATM 975 C3 HMW A 82 10.153 9.255 10.169 1.00 0.00 C +HETATM 976 O1 HMW A 82 10.132 10.688 10.269 1.00 0.00 O +HETATM 977 H1 HMW A 82 11.647 6.785 8.582 1.00 0.00 H +HETATM 978 H2 HMW A 82 10.506 6.815 9.821 1.00 0.00 H +HETATM 979 H3 HMW A 82 9.843 7.002 8.193 1.00 0.00 H +HETATM 980 H4 HMW A 82 12.024 9.015 9.041 1.00 0.00 H +HETATM 981 H5 HMW A 82 10.509 9.226 8.086 1.00 0.00 H +HETATM 982 H6 HMW A 82 10.697 8.884 11.038 1.00 0.00 H +HETATM 983 H7 HMW A 82 9.103 8.981 10.061 1.00 0.00 H +HETATM 984 H8 HMW A 82 10.971 11.090 10.581 1.00 0.00 H +HETATM 985 C1 HMW A 83 21.956 17.156 22.551 1.00 0.00 C +HETATM 986 C2 HMW A 83 20.699 18.049 22.799 1.00 0.00 C +HETATM 987 C3 HMW A 83 19.388 17.167 22.890 1.00 0.00 C +HETATM 988 O1 HMW A 83 18.935 16.761 21.609 1.00 0.00 O +HETATM 989 H1 HMW A 83 21.808 16.591 21.631 1.00 0.00 H +HETATM 990 H2 HMW A 83 22.767 17.855 22.345 1.00 0.00 H +HETATM 991 H3 HMW A 83 22.277 16.659 23.467 1.00 0.00 H +HETATM 992 H4 HMW A 83 20.892 18.623 23.706 1.00 0.00 H +HETATM 993 H5 HMW A 83 20.548 18.831 22.054 1.00 0.00 H +HETATM 994 H6 HMW A 83 18.596 17.742 23.371 1.00 0.00 H +HETATM 995 H7 HMW A 83 19.505 16.364 23.619 1.00 0.00 H +HETATM 996 H8 HMW A 83 18.813 17.595 21.106 1.00 0.00 H +HETATM 997 C1 HMW A 84 23.492 -3.204 20.576 1.00 0.00 C +HETATM 998 C2 HMW A 84 22.664 -2.786 19.331 1.00 0.00 C +HETATM 999 C3 HMW A 84 22.192 -3.945 18.339 1.00 0.00 C +HETATM 1000 O1 HMW A 84 21.879 -5.062 19.186 1.00 0.00 O +HETATM 1001 H1 HMW A 84 23.817 -2.367 21.194 1.00 0.00 H +HETATM 1002 H2 HMW A 84 22.805 -3.843 21.132 1.00 0.00 H +HETATM 1003 H3 HMW A 84 24.405 -3.746 20.329 1.00 0.00 H +HETATM 1004 H4 HMW A 84 21.846 -2.142 19.651 1.00 0.00 H +HETATM 1005 H5 HMW A 84 23.244 -2.093 18.721 1.00 0.00 H +HETATM 1006 H6 HMW A 84 22.991 -4.210 17.647 1.00 0.00 H +HETATM 1007 H7 HMW A 84 21.358 -3.541 17.765 1.00 0.00 H +HETATM 1008 H8 HMW A 84 21.172 -4.848 19.832 1.00 0.00 H +HETATM 1009 C1 HMW A 85 13.118 25.535 17.837 1.00 0.00 C +HETATM 1010 C2 HMW A 85 13.414 27.020 18.148 1.00 0.00 C +HETATM 1011 C3 HMW A 85 14.623 27.565 17.424 1.00 0.00 C +HETATM 1012 O1 HMW A 85 15.804 26.846 17.741 1.00 0.00 O +HETATM 1013 H1 HMW A 85 13.424 25.241 16.832 1.00 0.00 H +HETATM 1014 H2 HMW A 85 13.795 24.872 18.376 1.00 0.00 H +HETATM 1015 H3 HMW A 85 12.114 25.199 18.095 1.00 0.00 H +HETATM 1016 H4 HMW A 85 12.566 27.627 17.829 1.00 0.00 H +HETATM 1017 H5 HMW A 85 13.565 27.123 19.223 1.00 0.00 H +HETATM 1018 H6 HMW A 85 14.860 28.561 17.799 1.00 0.00 H +HETATM 1019 H7 HMW A 85 14.468 27.577 16.345 1.00 0.00 H +HETATM 1020 H8 HMW A 85 15.766 25.883 17.555 1.00 0.00 H +HETATM 1021 C1 HMW A 86 5.537 25.838 11.159 1.00 0.00 C +HETATM 1022 C2 HMW A 86 7.020 25.367 11.451 1.00 0.00 C +HETATM 1023 C3 HMW A 86 7.935 26.450 11.963 1.00 0.00 C +HETATM 1024 O1 HMW A 86 7.365 27.139 13.088 1.00 0.00 O +HETATM 1025 H1 HMW A 86 5.145 26.210 12.106 1.00 0.00 H +HETATM 1026 H2 HMW A 86 5.527 26.681 10.468 1.00 0.00 H +HETATM 1027 H3 HMW A 86 4.864 25.047 10.831 1.00 0.00 H +HETATM 1028 H4 HMW A 86 7.011 24.554 12.177 1.00 0.00 H +HETATM 1029 H5 HMW A 86 7.497 25.112 10.504 1.00 0.00 H +HETATM 1030 H6 HMW A 86 8.103 27.115 11.116 1.00 0.00 H +HETATM 1031 H7 HMW A 86 8.868 26.010 12.316 1.00 0.00 H +HETATM 1032 H8 HMW A 86 8.053 27.695 13.512 1.00 0.00 H +HETATM 1033 C1 HMW A 87 16.744 2.330 31.695 1.00 0.00 C +HETATM 1034 C2 HMW A 87 17.830 3.333 32.176 1.00 0.00 C +HETATM 1035 C3 HMW A 87 17.537 4.764 31.891 1.00 0.00 C +HETATM 1036 O1 HMW A 87 17.545 4.928 30.468 1.00 0.00 O +HETATM 1037 H1 HMW A 87 15.786 2.615 32.131 1.00 0.00 H +HETATM 1038 H2 HMW A 87 16.719 2.358 30.606 1.00 0.00 H +HETATM 1039 H3 HMW A 87 16.988 1.301 31.961 1.00 0.00 H +HETATM 1040 H4 HMW A 87 17.880 3.243 33.261 1.00 0.00 H +HETATM 1041 H5 HMW A 87 18.805 3.075 31.761 1.00 0.00 H +HETATM 1042 H6 HMW A 87 18.300 5.329 32.427 1.00 0.00 H +HETATM 1043 H7 HMW A 87 16.562 5.069 32.271 1.00 0.00 H +HETATM 1044 H8 HMW A 87 18.348 4.539 30.061 1.00 0.00 H +HETATM 1045 C1 HMW A 88 8.990 25.793 6.415 1.00 0.00 C +HETATM 1046 C2 HMW A 88 8.469 26.415 7.736 1.00 0.00 C +HETATM 1047 C3 HMW A 88 7.097 27.086 7.591 1.00 0.00 C +HETATM 1048 O1 HMW A 88 6.141 26.196 7.091 1.00 0.00 O +HETATM 1049 H1 HMW A 88 8.864 26.470 5.570 1.00 0.00 H +HETATM 1050 H2 HMW A 88 10.038 25.509 6.510 1.00 0.00 H +HETATM 1051 H3 HMW A 88 8.316 24.952 6.247 1.00 0.00 H +HETATM 1052 H4 HMW A 88 8.465 25.605 8.465 1.00 0.00 H +HETATM 1053 H5 HMW A 88 9.210 27.109 8.133 1.00 0.00 H +HETATM 1054 H6 HMW A 88 7.098 27.979 6.965 1.00 0.00 H +HETATM 1055 H7 HMW A 88 6.767 27.439 8.568 1.00 0.00 H +HETATM 1056 H8 HMW A 88 6.260 25.880 6.169 1.00 0.00 H +HETATM 1057 C1 HMW A 89 3.246 15.817 27.682 1.00 0.00 C +HETATM 1058 C2 HMW A 89 3.809 15.651 26.263 1.00 0.00 C +HETATM 1059 C3 HMW A 89 4.847 16.680 25.927 1.00 0.00 C +HETATM 1060 O1 HMW A 89 4.313 17.978 25.950 1.00 0.00 O +HETATM 1061 H1 HMW A 89 2.417 15.148 27.910 1.00 0.00 H +HETATM 1062 H2 HMW A 89 3.989 15.541 28.430 1.00 0.00 H +HETATM 1063 H3 HMW A 89 3.140 16.890 27.846 1.00 0.00 H +HETATM 1064 H4 HMW A 89 4.244 14.652 26.225 1.00 0.00 H +HETATM 1065 H5 HMW A 89 2.999 15.692 25.534 1.00 0.00 H +HETATM 1066 H6 HMW A 89 5.232 16.382 24.951 1.00 0.00 H +HETATM 1067 H7 HMW A 89 5.581 16.714 26.732 1.00 0.00 H +HETATM 1068 H8 HMW A 89 3.524 17.996 25.367 1.00 0.00 H +HETATM 1069 C1 HMW A 90 11.419 1.537 4.182 1.00 0.00 C +HETATM 1070 C2 HMW A 90 10.212 1.934 3.263 1.00 0.00 C +HETATM 1071 C3 HMW A 90 10.344 3.432 2.910 1.00 0.00 C +HETATM 1072 O1 HMW A 90 9.111 3.727 2.226 1.00 0.00 O +HETATM 1073 H1 HMW A 90 11.360 0.456 4.313 1.00 0.00 H +HETATM 1074 H2 HMW A 90 12.379 1.781 3.728 1.00 0.00 H +HETATM 1075 H3 HMW A 90 11.357 2.066 5.133 1.00 0.00 H +HETATM 1076 H4 HMW A 90 10.233 1.357 2.339 1.00 0.00 H +HETATM 1077 H5 HMW A 90 9.230 1.776 3.709 1.00 0.00 H +HETATM 1078 H6 HMW A 90 11.143 3.620 2.192 1.00 0.00 H +HETATM 1079 H7 HMW A 90 10.562 4.040 3.789 1.00 0.00 H +HETATM 1080 H8 HMW A 90 8.375 3.853 2.862 1.00 0.00 H +HETATM 1081 C1 HMW A 91 17.512 1.008 20.490 1.00 0.00 C +HETATM 1082 C2 HMW A 91 18.593 -0.169 20.442 1.00 0.00 C +HETATM 1083 C3 HMW A 91 18.607 -0.915 19.062 1.00 0.00 C +HETATM 1084 O1 HMW A 91 18.686 0.073 18.028 1.00 0.00 O +HETATM 1085 H1 HMW A 91 16.482 0.696 20.314 1.00 0.00 H +HETATM 1086 H2 HMW A 91 17.556 1.494 21.465 1.00 0.00 H +HETATM 1087 H3 HMW A 91 17.754 1.724 19.704 1.00 0.00 H +HETATM 1088 H4 HMW A 91 19.549 0.354 20.475 1.00 0.00 H +HETATM 1089 H5 HMW A 91 18.359 -0.806 21.295 1.00 0.00 H +HETATM 1090 H6 HMW A 91 17.798 -1.640 18.968 1.00 0.00 H +HETATM 1091 H7 HMW A 91 19.514 -1.519 19.044 1.00 0.00 H +HETATM 1092 H8 HMW A 91 17.846 0.499 17.752 1.00 0.00 H +HETATM 1093 C1 HMW A 92 28.643 -0.466 8.836 1.00 0.00 C +HETATM 1094 C2 HMW A 92 29.354 -1.273 7.700 1.00 0.00 C +HETATM 1095 C3 HMW A 92 29.787 -0.362 6.491 1.00 0.00 C +HETATM 1096 O1 HMW A 92 30.728 0.536 7.055 1.00 0.00 O +HETATM 1097 H1 HMW A 92 27.680 -0.090 8.489 1.00 0.00 H +HETATM 1098 H2 HMW A 92 28.417 -1.093 9.699 1.00 0.00 H +HETATM 1099 H3 HMW A 92 29.272 0.367 9.150 1.00 0.00 H +HETATM 1100 H4 HMW A 92 30.176 -1.921 8.006 1.00 0.00 H +HETATM 1101 H5 HMW A 92 28.674 -2.006 7.265 1.00 0.00 H +HETATM 1102 H6 HMW A 92 28.918 0.168 6.100 1.00 0.00 H +HETATM 1103 H7 HMW A 92 30.382 -0.937 5.780 1.00 0.00 H +HETATM 1104 H8 HMW A 92 31.495 0.031 7.400 1.00 0.00 H +HETATM 1105 C1 HMW A 93 12.345 12.486 25.905 1.00 0.00 C +HETATM 1106 C2 HMW A 93 13.104 13.380 24.870 1.00 0.00 C +HETATM 1107 C3 HMW A 93 14.567 13.642 25.214 1.00 0.00 C +HETATM 1108 O1 HMW A 93 15.199 14.470 24.231 1.00 0.00 O +HETATM 1109 H1 HMW A 93 12.693 11.465 26.066 1.00 0.00 H +HETATM 1110 H2 HMW A 93 12.153 13.076 26.801 1.00 0.00 H +HETATM 1111 H3 HMW A 93 11.380 12.258 25.452 1.00 0.00 H +HETATM 1112 H4 HMW A 93 13.048 12.913 23.887 1.00 0.00 H +HETATM 1113 H5 HMW A 93 12.609 14.351 24.853 1.00 0.00 H +HETATM 1114 H6 HMW A 93 15.129 12.713 25.110 1.00 0.00 H +HETATM 1115 H7 HMW A 93 14.696 14.080 26.204 1.00 0.00 H +HETATM 1116 H8 HMW A 93 15.881 15.041 24.644 1.00 0.00 H +HETATM 1117 C1 HMW A 94 3.788 12.062 1.708 1.00 0.00 C +HETATM 1118 C2 HMW A 94 3.069 11.889 0.459 1.00 0.00 C +HETATM 1119 C3 HMW A 94 2.123 10.702 0.428 1.00 0.00 C +HETATM 1120 O1 HMW A 94 1.145 10.759 1.426 1.00 0.00 O +HETATM 1121 H1 HMW A 94 4.702 12.645 1.589 1.00 0.00 H +HETATM 1122 H2 HMW A 94 3.106 12.509 2.431 1.00 0.00 H +HETATM 1123 H3 HMW A 94 4.127 11.120 2.140 1.00 0.00 H +HETATM 1124 H4 HMW A 94 2.454 12.760 0.232 1.00 0.00 H +HETATM 1125 H5 HMW A 94 3.799 11.714 -0.331 1.00 0.00 H +HETATM 1126 H6 HMW A 94 2.615 9.732 0.500 1.00 0.00 H +HETATM 1127 H7 HMW A 94 1.630 10.768 -0.542 1.00 0.00 H +HETATM 1128 H8 HMW A 94 0.489 11.460 1.224 1.00 0.00 H +HETATM 1129 C1 HMW A 95 20.615 27.441 12.392 1.00 0.00 C +HETATM 1130 C2 HMW A 95 21.129 26.304 13.306 1.00 0.00 C +HETATM 1131 C3 HMW A 95 20.903 24.885 12.748 1.00 0.00 C +HETATM 1132 O1 HMW A 95 19.613 24.611 12.509 1.00 0.00 O +HETATM 1133 H1 HMW A 95 20.754 28.410 12.872 1.00 0.00 H +HETATM 1134 H2 HMW A 95 21.167 27.496 11.454 1.00 0.00 H +HETATM 1135 H3 HMW A 95 19.550 27.372 12.167 1.00 0.00 H +HETATM 1136 H4 HMW A 95 22.210 26.405 13.411 1.00 0.00 H +HETATM 1137 H5 HMW A 95 20.641 26.399 14.277 1.00 0.00 H +HETATM 1138 H6 HMW A 95 21.244 24.138 13.464 1.00 0.00 H +HETATM 1139 H7 HMW A 95 21.502 24.690 11.859 1.00 0.00 H +HETATM 1140 H8 HMW A 95 19.126 24.832 13.331 1.00 0.00 H +HETATM 1141 C1 HMW A 96 11.464 12.374 33.007 1.00 0.00 C +HETATM 1142 C2 HMW A 96 11.745 12.416 31.425 1.00 0.00 C +HETATM 1143 C3 HMW A 96 10.450 12.841 30.707 1.00 0.00 C +HETATM 1144 O1 HMW A 96 9.325 11.851 30.818 1.00 0.00 O +HETATM 1145 H1 HMW A 96 10.953 11.466 33.329 1.00 0.00 H +HETATM 1146 H2 HMW A 96 12.417 12.347 33.536 1.00 0.00 H +HETATM 1147 H3 HMW A 96 10.889 13.249 33.311 1.00 0.00 H +HETATM 1148 H4 HMW A 96 12.577 13.094 31.234 1.00 0.00 H +HETATM 1149 H5 HMW A 96 12.126 11.447 31.105 1.00 0.00 H +HETATM 1150 H6 HMW A 96 10.803 13.057 29.698 1.00 0.00 H +HETATM 1151 H7 HMW A 96 10.121 13.806 31.095 1.00 0.00 H +HETATM 1152 H8 HMW A 96 9.604 11.039 30.342 1.00 0.00 H +HETATM 1153 C1 HMW A 97 4.726 5.358 4.037 1.00 0.00 C +HETATM 1154 C2 HMW A 97 5.975 5.588 3.213 1.00 0.00 C +HETATM 1155 C3 HMW A 97 7.252 5.522 4.005 1.00 0.00 C +HETATM 1156 O1 HMW A 97 7.581 4.163 4.331 1.00 0.00 O +HETATM 1157 H1 HMW A 97 4.325 6.228 4.557 1.00 0.00 H +HETATM 1158 H2 HMW A 97 3.959 4.921 3.398 1.00 0.00 H +HETATM 1159 H3 HMW A 97 4.878 4.565 4.771 1.00 0.00 H +HETATM 1160 H4 HMW A 97 5.953 4.927 2.347 1.00 0.00 H +HETATM 1161 H5 HMW A 97 5.917 6.580 2.764 1.00 0.00 H +HETATM 1162 H6 HMW A 97 7.137 6.186 4.862 1.00 0.00 H +HETATM 1163 H7 HMW A 97 8.088 5.862 3.395 1.00 0.00 H +HETATM 1164 H8 HMW A 97 7.483 3.967 5.287 1.00 0.00 H +HETATM 1165 C1 HMW A 98 20.820 19.291 13.206 1.00 0.00 C +HETATM 1166 C2 HMW A 98 20.737 19.790 14.672 1.00 0.00 C +HETATM 1167 C3 HMW A 98 19.666 20.870 14.736 1.00 0.00 C +HETATM 1168 O1 HMW A 98 20.186 22.103 14.459 1.00 0.00 O +HETATM 1169 H1 HMW A 98 21.313 20.056 12.605 1.00 0.00 H +HETATM 1170 H2 HMW A 98 21.457 18.409 13.276 1.00 0.00 H +HETATM 1171 H3 HMW A 98 19.829 19.043 12.825 1.00 0.00 H +HETATM 1172 H4 HMW A 98 20.473 18.987 15.359 1.00 0.00 H +HETATM 1173 H5 HMW A 98 21.678 20.231 15.003 1.00 0.00 H +HETATM 1174 H6 HMW A 98 19.475 20.938 15.808 1.00 0.00 H +HETATM 1175 H7 HMW A 98 18.727 20.748 14.196 1.00 0.00 H +HETATM 1176 H8 HMW A 98 19.512 22.816 14.432 1.00 0.00 H +HETATM 1177 C1 HMW A 99 18.590 10.428 21.843 1.00 0.00 C +HETATM 1178 C2 HMW A 99 17.872 9.122 22.226 1.00 0.00 C +HETATM 1179 C3 HMW A 99 17.905 8.807 23.753 1.00 0.00 C +HETATM 1180 O1 HMW A 99 16.794 7.977 24.111 1.00 0.00 O +HETATM 1181 H1 HMW A 99 18.678 10.466 20.758 1.00 0.00 H +HETATM 1182 H2 HMW A 99 17.953 11.279 22.084 1.00 0.00 H +HETATM 1183 H3 HMW A 99 19.600 10.413 22.254 1.00 0.00 H +HETATM 1184 H4 HMW A 99 16.841 9.229 21.889 1.00 0.00 H +HETATM 1185 H5 HMW A 99 18.279 8.277 21.670 1.00 0.00 H +HETATM 1186 H6 HMW A 99 17.895 9.761 24.281 1.00 0.00 H +HETATM 1187 H7 HMW A 99 18.862 8.326 23.958 1.00 0.00 H +HETATM 1188 H8 HMW A 99 15.939 8.458 24.143 1.00 0.00 H +HETATM 1189 C1 HMW A 100 8.958 22.401 11.566 1.00 0.00 C +HETATM 1190 C2 HMW A 100 10.469 22.354 11.288 1.00 0.00 C +HETATM 1191 C3 HMW A 100 11.041 21.290 12.304 1.00 0.00 C +HETATM 1192 O1 HMW A 100 11.870 21.835 13.335 1.00 0.00 O +HETATM 1193 H1 HMW A 100 8.554 21.404 11.390 1.00 0.00 H +HETATM 1194 H2 HMW A 100 8.815 22.683 12.609 1.00 0.00 H +HETATM 1195 H3 HMW A 100 8.492 23.165 10.942 1.00 0.00 H +HETATM 1196 H4 HMW A 100 10.782 22.111 10.272 1.00 0.00 H +HETATM 1197 H5 HMW A 100 10.782 23.361 11.567 1.00 0.00 H +HETATM 1198 H6 HMW A 100 11.530 20.466 11.784 1.00 0.00 H +HETATM 1199 H7 HMW A 100 10.189 20.862 12.831 1.00 0.00 H +HETATM 1200 H8 HMW A 100 11.299 22.343 13.950 1.00 0.00 H +HETATM 1201 C1 HMW A 101 23.153 -5.657 23.370 1.00 0.00 C +HETATM 1202 C2 HMW A 101 24.455 -5.609 24.183 1.00 0.00 C +HETATM 1203 C3 HMW A 101 25.147 -6.846 24.149 1.00 0.00 C +HETATM 1204 O1 HMW A 101 24.462 -7.806 24.985 1.00 0.00 O +HETATM 1205 H1 HMW A 101 22.530 -6.424 23.830 1.00 0.00 H +HETATM 1206 H2 HMW A 101 22.742 -4.658 23.520 1.00 0.00 H +HETATM 1207 H3 HMW A 101 23.396 -5.993 22.362 1.00 0.00 H +HETATM 1208 H4 HMW A 101 25.144 -4.829 23.859 1.00 0.00 H +HETATM 1209 H5 HMW A 101 24.229 -5.245 25.186 1.00 0.00 H +HETATM 1210 H6 HMW A 101 26.131 -6.673 24.586 1.00 0.00 H +HETATM 1211 H7 HMW A 101 25.365 -7.242 23.157 1.00 0.00 H +HETATM 1212 H8 HMW A 101 24.620 -8.735 24.711 1.00 0.00 H +HETATM 1213 C1 HMW A 102 6.951 -9.393 36.876 1.00 0.00 C +HETATM 1214 C2 HMW A 102 6.900 -8.326 35.819 1.00 0.00 C +HETATM 1215 C3 HMW A 102 6.519 -8.833 34.400 1.00 0.00 C +HETATM 1216 O1 HMW A 102 7.375 -9.887 33.924 1.00 0.00 O +HETATM 1217 H1 HMW A 102 7.748 -10.082 36.593 1.00 0.00 H +HETATM 1218 H2 HMW A 102 7.336 -8.935 37.787 1.00 0.00 H +HETATM 1219 H3 HMW A 102 6.034 -9.977 36.965 1.00 0.00 H +HETATM 1220 H4 HMW A 102 6.153 -7.569 36.055 1.00 0.00 H +HETATM 1221 H5 HMW A 102 7.832 -7.763 35.768 1.00 0.00 H +HETATM 1222 H6 HMW A 102 6.524 -8.058 33.634 1.00 0.00 H +HETATM 1223 H7 HMW A 102 5.533 -9.298 34.404 1.00 0.00 H +HETATM 1224 H8 HMW A 102 8.293 -9.553 33.830 1.00 0.00 H +HETATM 1225 C1 HMW A 103 10.201 -0.245 23.741 1.00 0.00 C +HETATM 1226 C2 HMW A 103 11.015 0.252 22.521 1.00 0.00 C +HETATM 1227 C3 HMW A 103 11.681 1.620 22.807 1.00 0.00 C +HETATM 1228 O1 HMW A 103 12.743 1.474 23.803 1.00 0.00 O +HETATM 1229 H1 HMW A 103 10.825 -0.293 24.634 1.00 0.00 H +HETATM 1230 H2 HMW A 103 9.282 0.323 23.886 1.00 0.00 H +HETATM 1231 H3 HMW A 103 9.882 -1.239 23.426 1.00 0.00 H +HETATM 1232 H4 HMW A 103 11.778 -0.452 22.190 1.00 0.00 H +HETATM 1233 H5 HMW A 103 10.299 0.248 21.699 1.00 0.00 H +HETATM 1234 H6 HMW A 103 10.898 2.294 23.155 1.00 0.00 H +HETATM 1235 H7 HMW A 103 12.109 2.076 21.914 1.00 0.00 H +HETATM 1236 H8 HMW A 103 13.436 0.893 23.421 1.00 0.00 H +HETATM 1237 C1 HMW A 104 16.694 -5.835 26.696 1.00 0.00 C +HETATM 1238 C2 HMW A 104 16.546 -4.364 26.573 1.00 0.00 C +HETATM 1239 C3 HMW A 104 15.069 -3.986 26.952 1.00 0.00 C +HETATM 1240 O1 HMW A 104 14.909 -4.260 28.387 1.00 0.00 O +HETATM 1241 H1 HMW A 104 17.715 -6.167 26.504 1.00 0.00 H +HETATM 1242 H2 HMW A 104 16.410 -6.307 27.637 1.00 0.00 H +HETATM 1243 H3 HMW A 104 16.060 -6.303 25.943 1.00 0.00 H +HETATM 1244 H4 HMW A 104 17.294 -3.911 27.224 1.00 0.00 H +HETATM 1245 H5 HMW A 104 16.613 -4.003 25.546 1.00 0.00 H +HETATM 1246 H6 HMW A 104 14.422 -4.654 26.382 1.00 0.00 H +HETATM 1247 H7 HMW A 104 14.847 -2.955 26.674 1.00 0.00 H +HETATM 1248 H8 HMW A 104 13.978 -4.294 28.697 1.00 0.00 H +HETATM 1249 C1 HMW A 105 4.900 12.990 22.818 1.00 0.00 C +HETATM 1250 C2 HMW A 105 3.918 12.300 23.719 1.00 0.00 C +HETATM 1251 C3 HMW A 105 3.208 11.095 23.183 1.00 0.00 C +HETATM 1252 O1 HMW A 105 1.990 11.345 22.538 1.00 0.00 O +HETATM 1253 H1 HMW A 105 5.812 12.398 22.736 1.00 0.00 H +HETATM 1254 H2 HMW A 105 4.459 13.275 21.863 1.00 0.00 H +HETATM 1255 H3 HMW A 105 5.248 13.859 23.377 1.00 0.00 H +HETATM 1256 H4 HMW A 105 4.409 11.997 24.644 1.00 0.00 H +HETATM 1257 H5 HMW A 105 3.161 13.006 24.063 1.00 0.00 H +HETATM 1258 H6 HMW A 105 2.994 10.390 23.988 1.00 0.00 H +HETATM 1259 H7 HMW A 105 3.876 10.699 22.419 1.00 0.00 H +HETATM 1260 H8 HMW A 105 1.516 10.507 22.351 1.00 0.00 H +HETATM 1261 C1 HMW A 106 7.397 15.252 30.911 1.00 0.00 C +HETATM 1262 C2 HMW A 106 5.915 15.049 30.267 1.00 0.00 C +HETATM 1263 C3 HMW A 106 4.752 15.104 31.297 1.00 0.00 C +HETATM 1264 O1 HMW A 106 4.754 16.484 31.750 1.00 0.00 O +HETATM 1265 H1 HMW A 106 7.669 14.434 31.578 1.00 0.00 H +HETATM 1266 H2 HMW A 106 8.196 15.262 30.169 1.00 0.00 H +HETATM 1267 H3 HMW A 106 7.359 16.178 31.486 1.00 0.00 H +HETATM 1268 H4 HMW A 106 5.788 15.776 29.465 1.00 0.00 H +HETATM 1269 H5 HMW A 106 5.867 14.078 29.774 1.00 0.00 H +HETATM 1270 H6 HMW A 106 5.051 14.517 32.166 1.00 0.00 H +HETATM 1271 H7 HMW A 106 3.809 14.778 30.857 1.00 0.00 H +HETATM 1272 H8 HMW A 106 5.562 16.677 32.271 1.00 0.00 H +HETATM 1273 C1 HMW A 107 -8.206 36.191 3.360 1.00 0.00 C +HETATM 1274 C2 HMW A 107 -7.722 35.176 4.432 1.00 0.00 C +HETATM 1275 C3 HMW A 107 -6.569 35.653 5.186 1.00 0.00 C +HETATM 1276 O1 HMW A 107 -6.375 34.715 6.179 1.00 0.00 O +HETATM 1277 H1 HMW A 107 -8.908 36.902 3.797 1.00 0.00 H +HETATM 1278 H2 HMW A 107 -7.371 36.743 2.930 1.00 0.00 H +HETATM 1279 H3 HMW A 107 -8.753 35.683 2.565 1.00 0.00 H +HETATM 1280 H4 HMW A 107 -8.511 35.037 5.171 1.00 0.00 H +HETATM 1281 H5 HMW A 107 -7.521 34.221 3.947 1.00 0.00 H +HETATM 1282 H6 HMW A 107 -6.744 36.596 5.704 1.00 0.00 H +HETATM 1283 H7 HMW A 107 -5.650 35.685 4.602 1.00 0.00 H +HETATM 1284 H8 HMW A 107 -5.690 34.911 6.855 1.00 0.00 H +HETATM 1285 C1 HMW A 108 17.649 8.180 18.700 1.00 0.00 C +HETATM 1286 C2 HMW A 108 18.336 6.944 18.108 1.00 0.00 C +HETATM 1287 C3 HMW A 108 18.998 7.296 16.781 1.00 0.00 C +HETATM 1288 O1 HMW A 108 18.010 7.283 15.786 1.00 0.00 O +HETATM 1289 H1 HMW A 108 18.457 8.823 19.049 1.00 0.00 H +HETATM 1290 H2 HMW A 108 17.178 8.722 17.879 1.00 0.00 H +HETATM 1291 H3 HMW A 108 16.897 7.896 19.435 1.00 0.00 H +HETATM 1292 H4 HMW A 108 19.104 6.517 18.753 1.00 0.00 H +HETATM 1293 H5 HMW A 108 17.639 6.126 17.923 1.00 0.00 H +HETATM 1294 H6 HMW A 108 19.756 6.546 16.553 1.00 0.00 H +HETATM 1295 H7 HMW A 108 19.405 8.307 16.775 1.00 0.00 H +HETATM 1296 H8 HMW A 108 18.387 7.641 14.954 1.00 0.00 H +HETATM 1297 C1 HMW A 109 11.368 23.028 31.990 1.00 0.00 C +HETATM 1298 C2 HMW A 109 11.220 22.474 33.381 1.00 0.00 C +HETATM 1299 C3 HMW A 109 12.178 23.207 34.383 1.00 0.00 C +HETATM 1300 O1 HMW A 109 13.505 23.232 34.087 1.00 0.00 O +HETATM 1301 H1 HMW A 109 11.229 24.108 31.928 1.00 0.00 H +HETATM 1302 H2 HMW A 109 12.372 22.761 31.660 1.00 0.00 H +HETATM 1303 H3 HMW A 109 10.777 22.515 31.232 1.00 0.00 H +HETATM 1304 H4 HMW A 109 10.190 22.526 33.734 1.00 0.00 H +HETATM 1305 H5 HMW A 109 11.449 21.408 33.386 1.00 0.00 H +HETATM 1306 H6 HMW A 109 11.971 22.685 35.317 1.00 0.00 H +HETATM 1307 H7 HMW A 109 11.852 24.230 34.567 1.00 0.00 H +HETATM 1308 H8 HMW A 109 13.667 23.806 33.307 1.00 0.00 H +HETATM 1309 C1 HMW A 110 27.977 4.115 6.738 1.00 0.00 C +HETATM 1310 C2 HMW A 110 26.795 4.431 5.808 1.00 0.00 C +HETATM 1311 C3 HMW A 110 26.607 5.978 5.716 1.00 0.00 C +HETATM 1312 O1 HMW A 110 26.253 6.520 7.042 1.00 0.00 O +HETATM 1313 H1 HMW A 110 28.118 3.043 6.878 1.00 0.00 H +HETATM 1314 H2 HMW A 110 28.876 4.583 6.337 1.00 0.00 H +HETATM 1315 H3 HMW A 110 27.751 4.541 7.715 1.00 0.00 H +HETATM 1316 H4 HMW A 110 26.828 4.077 4.777 1.00 0.00 H +HETATM 1317 H5 HMW A 110 25.883 4.046 6.265 1.00 0.00 H +HETATM 1318 H6 HMW A 110 25.771 6.208 5.055 1.00 0.00 H +HETATM 1319 H7 HMW A 110 27.563 6.446 5.481 1.00 0.00 H +HETATM 1320 H8 HMW A 110 26.059 7.481 7.022 1.00 0.00 H +HETATM 1321 C1 HMW A 111 10.078 10.854 21.919 1.00 0.00 C +HETATM 1322 C2 HMW A 111 9.703 10.062 23.202 1.00 0.00 C +HETATM 1323 C3 HMW A 111 10.458 8.732 23.381 1.00 0.00 C +HETATM 1324 O1 HMW A 111 10.099 8.028 24.509 1.00 0.00 O +HETATM 1325 H1 HMW A 111 9.269 11.559 21.724 1.00 0.00 H +HETATM 1326 H2 HMW A 111 11.049 11.342 22.005 1.00 0.00 H +HETATM 1327 H3 HMW A 111 10.153 10.062 21.174 1.00 0.00 H +HETATM 1328 H4 HMW A 111 9.817 10.537 24.177 1.00 0.00 H +HETATM 1329 H5 HMW A 111 8.634 9.858 23.136 1.00 0.00 H +HETATM 1330 H6 HMW A 111 11.508 9.019 23.444 1.00 0.00 H +HETATM 1331 H7 HMW A 111 10.324 8.040 22.549 1.00 0.00 H +HETATM 1332 H8 HMW A 111 10.592 7.183 24.579 1.00 0.00 H +HETATM 1333 C1 HMW A 112 14.154 8.205 6.868 1.00 0.00 C +HETATM 1334 C2 HMW A 112 15.534 8.748 7.034 1.00 0.00 C +HETATM 1335 C3 HMW A 112 15.482 10.188 6.516 1.00 0.00 C +HETATM 1336 O1 HMW A 112 15.775 10.306 5.145 1.00 0.00 O +HETATM 1337 H1 HMW A 112 13.843 8.321 5.829 1.00 0.00 H +HETATM 1338 H2 HMW A 112 14.289 7.133 7.010 1.00 0.00 H +HETATM 1339 H3 HMW A 112 13.427 8.565 7.595 1.00 0.00 H +HETATM 1340 H4 HMW A 112 15.952 8.574 8.026 1.00 0.00 H +HETATM 1341 H5 HMW A 112 16.210 8.231 6.353 1.00 0.00 H +HETATM 1342 H6 HMW A 112 16.196 10.813 7.053 1.00 0.00 H +HETATM 1343 H7 HMW A 112 14.511 10.671 6.625 1.00 0.00 H +HETATM 1344 H8 HMW A 112 15.679 9.424 4.725 1.00 0.00 H +HETATM 1345 C1 HMW A 113 16.195 12.636 28.748 1.00 0.00 C +HETATM 1346 C2 HMW A 113 17.062 11.423 28.833 1.00 0.00 C +HETATM 1347 C3 HMW A 113 17.304 10.876 27.457 1.00 0.00 C +HETATM 1348 O1 HMW A 113 15.963 10.685 26.777 1.00 0.00 O +HETATM 1349 H1 HMW A 113 16.581 13.268 27.948 1.00 0.00 H +HETATM 1350 H2 HMW A 113 15.126 12.482 28.602 1.00 0.00 H +HETATM 1351 H3 HMW A 113 16.262 13.210 29.672 1.00 0.00 H +HETATM 1352 H4 HMW A 113 18.021 11.767 29.219 1.00 0.00 H +HETATM 1353 H5 HMW A 113 16.568 10.705 29.488 1.00 0.00 H +HETATM 1354 H6 HMW A 113 17.801 9.907 27.419 1.00 0.00 H +HETATM 1355 H7 HMW A 113 17.935 11.546 26.873 1.00 0.00 H +HETATM 1356 H8 HMW A 113 15.252 10.491 27.425 1.00 0.00 H +HETATM 1357 C1 HMW A 114 21.636 -0.137 23.372 1.00 0.00 C +HETATM 1358 C2 HMW A 114 20.202 0.010 23.890 1.00 0.00 C +HETATM 1359 C3 HMW A 114 19.691 1.512 24.048 1.00 0.00 C +HETATM 1360 O1 HMW A 114 18.477 1.432 24.794 1.00 0.00 O +HETATM 1361 H1 HMW A 114 22.392 0.208 24.078 1.00 0.00 H +HETATM 1362 H2 HMW A 114 21.969 -1.136 23.089 1.00 0.00 H +HETATM 1363 H3 HMW A 114 21.620 0.535 22.514 1.00 0.00 H +HETATM 1364 H4 HMW A 114 19.486 -0.484 23.233 1.00 0.00 H +HETATM 1365 H5 HMW A 114 20.161 -0.472 24.867 1.00 0.00 H +HETATM 1366 H6 HMW A 114 19.497 1.835 23.026 1.00 0.00 H +HETATM 1367 H7 HMW A 114 20.424 2.144 24.549 1.00 0.00 H +HETATM 1368 H8 HMW A 114 18.132 2.279 25.151 1.00 0.00 H +HETATM 1369 C1 HMW A 115 -5.415 30.366 15.814 1.00 0.00 C +HETATM 1370 C2 HMW A 115 -5.787 28.958 16.351 1.00 0.00 C +HETATM 1371 C3 HMW A 115 -5.268 28.637 17.720 1.00 0.00 C +HETATM 1372 O1 HMW A 115 -5.704 27.331 18.164 1.00 0.00 O +HETATM 1373 H1 HMW A 115 -5.840 31.161 16.427 1.00 0.00 H +HETATM 1374 H2 HMW A 115 -4.331 30.400 15.707 1.00 0.00 H +HETATM 1375 H3 HMW A 115 -5.802 30.569 14.815 1.00 0.00 H +HETATM 1376 H4 HMW A 115 -6.870 28.842 16.362 1.00 0.00 H +HETATM 1377 H5 HMW A 115 -5.444 28.235 15.611 1.00 0.00 H +HETATM 1378 H6 HMW A 115 -5.627 29.368 18.445 1.00 0.00 H +HETATM 1379 H7 HMW A 115 -4.181 28.643 17.799 1.00 0.00 H +HETATM 1380 H8 HMW A 115 -6.664 27.187 18.019 1.00 0.00 H +HETATM 1381 C1 HMW A 116 34.199 22.959 35.290 1.00 0.00 C +HETATM 1382 C2 HMW A 116 33.345 22.333 34.253 1.00 0.00 C +HETATM 1383 C3 HMW A 116 31.996 22.995 34.060 1.00 0.00 C +HETATM 1384 O1 HMW A 116 31.285 22.349 32.985 1.00 0.00 O +HETATM 1385 H1 HMW A 116 35.216 22.629 35.077 1.00 0.00 H +HETATM 1386 H2 HMW A 116 34.185 24.048 35.327 1.00 0.00 H +HETATM 1387 H3 HMW A 116 33.947 22.577 36.279 1.00 0.00 H +HETATM 1388 H4 HMW A 116 33.884 22.385 33.307 1.00 0.00 H +HETATM 1389 H5 HMW A 116 33.236 21.273 34.485 1.00 0.00 H +HETATM 1390 H6 HMW A 116 32.132 24.054 33.842 1.00 0.00 H +HETATM 1391 H7 HMW A 116 31.391 22.902 34.961 1.00 0.00 H +HETATM 1392 H8 HMW A 116 31.332 21.383 33.146 1.00 0.00 H +HETATM 1393 C1 HMW A 117 7.093 3.869 25.333 1.00 0.00 C +HETATM 1394 C2 HMW A 117 8.100 2.744 25.694 1.00 0.00 C +HETATM 1395 C3 HMW A 117 9.537 3.299 25.754 1.00 0.00 C +HETATM 1396 O1 HMW A 117 9.742 4.360 26.702 1.00 0.00 O +HETATM 1397 H1 HMW A 117 7.335 4.196 24.321 1.00 0.00 H +HETATM 1398 H2 HMW A 117 6.091 3.460 25.467 1.00 0.00 H +HETATM 1399 H3 HMW A 117 7.164 4.729 25.999 1.00 0.00 H +HETATM 1400 H4 HMW A 117 7.815 2.286 26.641 1.00 0.00 H +HETATM 1401 H5 HMW A 117 7.979 1.950 24.957 1.00 0.00 H +HETATM 1402 H6 HMW A 117 9.816 3.702 24.780 1.00 0.00 H +HETATM 1403 H7 HMW A 117 10.120 2.395 25.933 1.00 0.00 H +HETATM 1404 H8 HMW A 117 9.558 4.075 27.622 1.00 0.00 H +HETATM 1405 C1 HMW A 118 28.212 5.971 2.455 1.00 0.00 C +HETATM 1406 C2 HMW A 118 28.846 7.392 2.356 1.00 0.00 C +HETATM 1407 C3 HMW A 118 28.804 8.145 3.774 1.00 0.00 C +HETATM 1408 O1 HMW A 118 29.245 9.474 3.527 1.00 0.00 O +HETATM 1409 H1 HMW A 118 28.017 5.625 1.439 1.00 0.00 H +HETATM 1410 H2 HMW A 118 28.868 5.214 2.885 1.00 0.00 H +HETATM 1411 H3 HMW A 118 27.253 5.984 2.973 1.00 0.00 H +HETATM 1412 H4 HMW A 118 29.834 7.345 1.900 1.00 0.00 H +HETATM 1413 H5 HMW A 118 28.175 7.969 1.720 1.00 0.00 H +HETATM 1414 H6 HMW A 118 29.488 7.588 4.414 1.00 0.00 H +HETATM 1415 H7 HMW A 118 27.801 8.253 4.188 1.00 0.00 H +HETATM 1416 H8 HMW A 118 28.984 9.847 2.657 1.00 0.00 H +HETATM 1417 C1 HMW A 119 29.190 -4.779 13.415 1.00 0.00 C +HETATM 1418 C2 HMW A 119 29.425 -3.503 12.559 1.00 0.00 C +HETATM 1419 C3 HMW A 119 28.432 -2.435 12.871 1.00 0.00 C +HETATM 1420 O1 HMW A 119 28.261 -2.357 14.289 1.00 0.00 O +HETATM 1421 H1 HMW A 119 29.383 -4.696 14.484 1.00 0.00 H +HETATM 1422 H2 HMW A 119 28.148 -5.099 13.373 1.00 0.00 H +HETATM 1423 H3 HMW A 119 29.675 -5.637 12.949 1.00 0.00 H +HETATM 1424 H4 HMW A 119 30.454 -3.189 12.384 1.00 0.00 H +HETATM 1425 H5 HMW A 119 29.171 -3.859 11.560 1.00 0.00 H +HETATM 1426 H6 HMW A 119 27.516 -2.721 12.354 1.00 0.00 H +HETATM 1427 H7 HMW A 119 28.850 -1.477 12.563 1.00 0.00 H +HETATM 1428 H8 HMW A 119 29.033 -1.971 14.755 1.00 0.00 H +HETATM 1429 C1 HMW A 120 20.423 17.061 37.506 1.00 0.00 C +HETATM 1430 C2 HMW A 120 21.251 16.345 36.370 1.00 0.00 C +HETATM 1431 C3 HMW A 120 22.728 16.037 36.701 1.00 0.00 C +HETATM 1432 O1 HMW A 120 23.281 14.999 35.870 1.00 0.00 O +HETATM 1433 H1 HMW A 120 20.872 16.898 38.486 1.00 0.00 H +HETATM 1434 H2 HMW A 120 20.629 18.113 37.308 1.00 0.00 H +HETATM 1435 H3 HMW A 120 19.349 16.875 37.515 1.00 0.00 H +HETATM 1436 H4 HMW A 120 20.771 15.392 36.144 1.00 0.00 H +HETATM 1437 H5 HMW A 120 21.057 16.828 35.413 1.00 0.00 H +HETATM 1438 H6 HMW A 120 22.934 15.914 37.764 1.00 0.00 H +HETATM 1439 H7 HMW A 120 23.289 16.964 36.578 1.00 0.00 H +HETATM 1440 H8 HMW A 120 23.388 15.191 34.914 1.00 0.00 H +HETATM 1441 C1 HMW A 121 22.388 -8.372 6.188 1.00 0.00 C +HETATM 1442 C2 HMW A 121 20.895 -7.945 6.117 1.00 0.00 C +HETATM 1443 C3 HMW A 121 20.041 -9.106 5.565 1.00 0.00 C +HETATM 1444 O1 HMW A 121 20.480 -9.412 4.194 1.00 0.00 O +HETATM 1445 H1 HMW A 121 22.823 -8.721 5.251 1.00 0.00 H +HETATM 1446 H2 HMW A 121 22.860 -7.443 6.510 1.00 0.00 H +HETATM 1447 H3 HMW A 121 22.482 -9.166 6.928 1.00 0.00 H +HETATM 1448 H4 HMW A 121 20.564 -7.616 7.102 1.00 0.00 H +HETATM 1449 H5 HMW A 121 20.891 -7.184 5.337 1.00 0.00 H +HETATM 1450 H6 HMW A 121 18.975 -8.886 5.515 1.00 0.00 H +HETATM 1451 H7 HMW A 121 20.118 -9.986 6.206 1.00 0.00 H +HETATM 1452 H8 HMW A 121 19.733 -9.317 3.566 1.00 0.00 H +HETATM 1453 C1 HMW A 122 14.032 4.915 29.810 1.00 0.00 C +HETATM 1454 C2 HMW A 122 14.671 5.939 28.796 1.00 0.00 C +HETATM 1455 C3 HMW A 122 15.231 5.129 27.614 1.00 0.00 C +HETATM 1456 O1 HMW A 122 15.934 3.979 28.067 1.00 0.00 O +HETATM 1457 H1 HMW A 122 14.798 4.353 30.344 1.00 0.00 H +HETATM 1458 H2 HMW A 122 13.578 5.444 30.648 1.00 0.00 H +HETATM 1459 H3 HMW A 122 13.293 4.264 29.341 1.00 0.00 H +HETATM 1460 H4 HMW A 122 14.044 6.705 28.338 1.00 0.00 H +HETATM 1461 H5 HMW A 122 15.511 6.386 29.328 1.00 0.00 H +HETATM 1462 H6 HMW A 122 16.048 5.696 27.169 1.00 0.00 H +HETATM 1463 H7 HMW A 122 14.475 4.946 26.850 1.00 0.00 H +HETATM 1464 H8 HMW A 122 16.505 4.232 28.823 1.00 0.00 H +HETATM 1465 C1 HMW A 123 7.003 13.066 18.938 1.00 0.00 C +HETATM 1466 C2 HMW A 123 7.770 14.385 18.890 1.00 0.00 C +HETATM 1467 C3 HMW A 123 6.920 15.516 19.571 1.00 0.00 C +HETATM 1468 O1 HMW A 123 5.668 15.722 18.873 1.00 0.00 O +HETATM 1469 H1 HMW A 123 6.163 13.065 18.244 1.00 0.00 H +HETATM 1470 H2 HMW A 123 7.569 12.179 18.654 1.00 0.00 H +HETATM 1471 H3 HMW A 123 6.480 12.956 19.889 1.00 0.00 H +HETATM 1472 H4 HMW A 123 8.688 14.231 19.457 1.00 0.00 H +HETATM 1473 H5 HMW A 123 8.010 14.732 17.885 1.00 0.00 H +HETATM 1474 H6 HMW A 123 7.478 16.450 19.647 1.00 0.00 H +HETATM 1475 H7 HMW A 123 6.641 15.273 20.596 1.00 0.00 H +HETATM 1476 H8 HMW A 123 5.188 14.869 18.808 1.00 0.00 H +HETATM 1477 C1 HMW A 124 17.606 2.819 13.975 1.00 0.00 C +HETATM 1478 C2 HMW A 124 16.733 1.794 13.263 1.00 0.00 C +HETATM 1479 C3 HMW A 124 15.436 2.459 12.784 1.00 0.00 C +HETATM 1480 O1 HMW A 124 14.331 1.964 13.642 1.00 0.00 O +HETATM 1481 H1 HMW A 124 17.507 3.821 13.557 1.00 0.00 H +HETATM 1482 H2 HMW A 124 17.316 2.878 15.024 1.00 0.00 H +HETATM 1483 H3 HMW A 124 18.624 2.429 13.969 1.00 0.00 H +HETATM 1484 H4 HMW A 124 17.148 1.560 12.282 1.00 0.00 H +HETATM 1485 H5 HMW A 124 16.584 0.914 13.889 1.00 0.00 H +HETATM 1486 H6 HMW A 124 15.282 2.151 11.750 1.00 0.00 H +HETATM 1487 H7 HMW A 124 15.539 3.543 12.817 1.00 0.00 H +HETATM 1488 H8 HMW A 124 14.449 0.996 13.746 1.00 0.00 H +HETATM 1489 C1 HMW A 125 11.799 14.791 19.904 1.00 0.00 C +HETATM 1490 C2 HMW A 125 11.431 14.838 21.410 1.00 0.00 C +HETATM 1491 C3 HMW A 125 10.611 16.023 21.860 1.00 0.00 C +HETATM 1492 O1 HMW A 125 11.192 17.252 21.361 1.00 0.00 O +HETATM 1493 H1 HMW A 125 12.392 15.676 19.670 1.00 0.00 H +HETATM 1494 H2 HMW A 125 12.317 13.852 19.713 1.00 0.00 H +HETATM 1495 H3 HMW A 125 10.903 14.854 19.287 1.00 0.00 H +HETATM 1496 H4 HMW A 125 11.000 13.955 21.883 1.00 0.00 H +HETATM 1497 H5 HMW A 125 12.419 14.906 21.866 1.00 0.00 H +HETATM 1498 H6 HMW A 125 10.586 16.004 22.949 1.00 0.00 H +HETATM 1499 H7 HMW A 125 9.575 15.901 21.541 1.00 0.00 H +HETATM 1500 H8 HMW A 125 10.512 17.957 21.321 1.00 0.00 H +HETATM 1501 C1 HMW A 126 14.691 -1.906 21.858 1.00 0.00 C +HETATM 1502 C2 HMW A 126 15.736 -2.349 22.897 1.00 0.00 C +HETATM 1503 C3 HMW A 126 16.266 -1.090 23.648 1.00 0.00 C +HETATM 1504 O1 HMW A 126 17.292 -1.360 24.570 1.00 0.00 O +HETATM 1505 H1 HMW A 126 15.024 -1.071 21.241 1.00 0.00 H +HETATM 1506 H2 HMW A 126 14.424 -2.684 21.141 1.00 0.00 H +HETATM 1507 H3 HMW A 126 13.824 -1.486 22.367 1.00 0.00 H +HETATM 1508 H4 HMW A 126 15.377 -3.112 23.589 1.00 0.00 H +HETATM 1509 H5 HMW A 126 16.513 -2.725 22.231 1.00 0.00 H +HETATM 1510 H6 HMW A 126 15.488 -0.492 24.124 1.00 0.00 H +HETATM 1511 H7 HMW A 126 16.704 -0.442 22.889 1.00 0.00 H +HETATM 1512 H8 HMW A 126 17.437 -0.596 25.169 1.00 0.00 H +HETATM 1513 C1 HMW A 127 9.073 10.067 13.841 1.00 0.00 C +HETATM 1514 C2 HMW A 127 7.663 10.339 13.302 1.00 0.00 C +HETATM 1515 C3 HMW A 127 7.144 11.683 13.716 1.00 0.00 C +HETATM 1516 O1 HMW A 127 7.839 12.760 13.154 1.00 0.00 O +HETATM 1517 H1 HMW A 127 9.366 9.033 13.659 1.00 0.00 H +HETATM 1518 H2 HMW A 127 9.737 10.801 13.384 1.00 0.00 H +HETATM 1519 H3 HMW A 127 9.061 10.239 14.917 1.00 0.00 H +HETATM 1520 H4 HMW A 127 7.704 10.177 12.225 1.00 0.00 H +HETATM 1521 H5 HMW A 127 7.069 9.502 13.670 1.00 0.00 H +HETATM 1522 H6 HMW A 127 7.194 11.759 14.803 1.00 0.00 H +HETATM 1523 H7 HMW A 127 6.129 11.844 13.351 1.00 0.00 H +HETATM 1524 H8 HMW A 127 7.772 12.697 12.177 1.00 0.00 H +HETATM 1525 C1 HMW A 128 -7.700 13.361 24.803 1.00 0.00 C +HETATM 1526 C2 HMW A 128 -6.498 12.416 25.237 1.00 0.00 C +HETATM 1527 C3 HMW A 128 -6.089 12.606 26.694 1.00 0.00 C +HETATM 1528 O1 HMW A 128 -5.057 11.635 26.973 1.00 0.00 O +HETATM 1529 H1 HMW A 128 -7.612 14.358 25.236 1.00 0.00 H +HETATM 1530 H2 HMW A 128 -7.764 13.362 23.714 1.00 0.00 H +HETATM 1531 H3 HMW A 128 -8.646 12.967 25.175 1.00 0.00 H +HETATM 1532 H4 HMW A 128 -6.912 11.412 25.143 1.00 0.00 H +HETATM 1533 H5 HMW A 128 -5.613 12.547 24.615 1.00 0.00 H +HETATM 1534 H6 HMW A 128 -6.921 12.551 27.396 1.00 0.00 H +HETATM 1535 H7 HMW A 128 -5.581 13.568 26.770 1.00 0.00 H +HETATM 1536 H8 HMW A 128 -4.665 11.778 27.861 1.00 0.00 H +TER 1537 HMW A 128 +HETATM 1538 O HOH B 1 13.532 8.112 26.345 1.00 0.00 O +HETATM 1539 H1 HOH B 1 13.085 7.270 26.431 1.00 0.00 H +HETATM 1540 H2 HOH B 1 13.150 8.508 25.562 1.00 0.00 H +HETATM 1541 O HOH B 2 -3.952 -9.100 27.747 1.00 0.00 O +HETATM 1542 H1 HOH B 2 -4.117 -8.212 27.428 1.00 0.00 H +HETATM 1543 H2 HOH B 2 -3.005 -9.212 27.665 1.00 0.00 H +HETATM 1544 O HOH B 3 24.781 12.969 10.105 1.00 0.00 O +HETATM 1545 H1 HOH B 3 24.330 12.146 10.296 1.00 0.00 H +HETATM 1546 H2 HOH B 3 24.103 13.533 9.732 1.00 0.00 H +HETATM 1547 O HOH B 4 12.580 18.584 18.985 1.00 0.00 O +HETATM 1548 H1 HOH B 4 12.080 18.477 18.176 1.00 0.00 H +HETATM 1549 H2 HOH B 4 11.970 18.331 19.679 1.00 0.00 H +HETATM 1550 O HOH B 5 3.374 9.501 13.804 1.00 0.00 O +HETATM 1551 H1 HOH B 5 3.343 10.359 13.380 1.00 0.00 H +HETATM 1552 H2 HOH B 5 2.567 9.067 13.526 1.00 0.00 H +HETATM 1553 O HOH B 6 -1.796 22.834 28.363 1.00 0.00 O +HETATM 1554 H1 HOH B 6 -1.617 23.760 28.202 1.00 0.00 H +HETATM 1555 H2 HOH B 6 -2.740 22.794 28.517 1.00 0.00 H +HETATM 1556 O HOH B 7 5.380 -5.129 24.103 1.00 0.00 O +HETATM 1557 H1 HOH B 7 4.845 -5.526 23.416 1.00 0.00 H +HETATM 1558 H2 HOH B 7 5.780 -5.872 24.555 1.00 0.00 H +HETATM 1559 O HOH B 8 6.156 1.838 17.572 1.00 0.00 O +HETATM 1560 H1 HOH B 8 6.208 1.429 16.708 1.00 0.00 H +HETATM 1561 H2 HOH B 8 5.928 1.120 18.163 1.00 0.00 H +HETATM 1562 O HOH B 9 -0.245 -5.442 17.534 1.00 0.00 O +HETATM 1563 H1 HOH B 9 -0.211 -4.897 16.748 1.00 0.00 H +HETATM 1564 H2 HOH B 9 0.670 -5.537 17.800 1.00 0.00 H +HETATM 1565 O HOH B 10 3.890 17.270 -9.649 1.00 0.00 O +HETATM 1566 H1 HOH B 10 3.476 16.509 -10.056 1.00 0.00 H +HETATM 1567 H2 HOH B 10 4.735 16.946 -9.338 1.00 0.00 H +HETATM 1568 O HOH B 11 -2.150 14.770 3.566 1.00 0.00 O +HETATM 1569 H1 HOH B 11 -2.919 15.159 3.149 1.00 0.00 H +HETATM 1570 H2 HOH B 11 -1.590 15.516 3.780 1.00 0.00 H +HETATM 1571 O HOH B 12 -8.117 11.397 6.556 1.00 0.00 O +HETATM 1572 H1 HOH B 12 -8.352 11.415 7.484 1.00 0.00 H +HETATM 1573 H2 HOH B 12 -8.821 11.878 6.121 1.00 0.00 H +HETATM 1574 O HOH B 13 24.690 5.516 22.552 1.00 0.00 O +HETATM 1575 H1 HOH B 13 25.617 5.299 22.449 1.00 0.00 H +HETATM 1576 H2 HOH B 13 24.455 5.162 23.409 1.00 0.00 H +HETATM 1577 O HOH B 14 -3.765 21.071 29.939 1.00 0.00 O +HETATM 1578 H1 HOH B 14 -3.695 20.405 29.255 1.00 0.00 H +HETATM 1579 H2 HOH B 14 -3.393 20.655 30.717 1.00 0.00 H +HETATM 1580 O HOH B 15 19.902 -6.693 -1.144 1.00 0.00 O +HETATM 1581 H1 HOH B 15 19.767 -5.754 -1.271 1.00 0.00 H +HETATM 1582 H2 HOH B 15 20.657 -6.750 -0.558 1.00 0.00 H +HETATM 1583 O HOH B 16 15.354 8.471 30.403 1.00 0.00 O +HETATM 1584 H1 HOH B 16 15.223 7.537 30.241 1.00 0.00 H +HETATM 1585 H2 HOH B 16 14.773 8.907 29.779 1.00 0.00 H +HETATM 1586 O HOH B 17 25.510 11.057 14.137 1.00 0.00 O +HETATM 1587 H1 HOH B 17 24.639 11.112 14.531 1.00 0.00 H +HETATM 1588 H2 HOH B 17 25.382 10.538 13.343 1.00 0.00 H +HETATM 1589 O HOH B 18 5.150 19.217 -4.356 1.00 0.00 O +HETATM 1590 H1 HOH B 18 6.084 19.325 -4.177 1.00 0.00 H +HETATM 1591 H2 HOH B 18 5.115 18.857 -5.242 1.00 0.00 H +HETATM 1592 O HOH B 19 16.563 16.346 26.089 1.00 0.00 O +HETATM 1593 H1 HOH B 19 16.027 17.121 25.924 1.00 0.00 H +HETATM 1594 H2 HOH B 19 17.448 16.688 26.215 1.00 0.00 H +HETATM 1595 O HOH B 20 11.591 18.869 16.038 1.00 0.00 O +HETATM 1596 H1 HOH B 20 11.431 19.705 15.599 1.00 0.00 H +HETATM 1597 H2 HOH B 20 10.761 18.397 15.964 1.00 0.00 H +HETATM 1598 O HOH B 21 14.000 9.971 28.365 1.00 0.00 O +HETATM 1599 H1 HOH B 21 13.630 9.473 27.636 1.00 0.00 H +HETATM 1600 H2 HOH B 21 13.240 10.351 28.807 1.00 0.00 H +HETATM 1601 O HOH B 22 13.878 31.515 14.812 1.00 0.00 O +HETATM 1602 H1 HOH B 22 13.926 30.680 14.347 1.00 0.00 H +HETATM 1603 H2 HOH B 22 14.746 31.625 15.198 1.00 0.00 H +HETATM 1604 O HOH B 23 2.551 15.023 16.400 1.00 0.00 O +HETATM 1605 H1 HOH B 23 2.511 14.548 15.570 1.00 0.00 H +HETATM 1606 H2 HOH B 23 1.660 15.345 16.536 1.00 0.00 H +HETATM 1607 O HOH B 24 2.263 3.815 14.275 1.00 0.00 O +HETATM 1608 H1 HOH B 24 1.859 4.369 13.608 1.00 0.00 H +HETATM 1609 H2 HOH B 24 3.091 3.535 13.885 1.00 0.00 H +HETATM 1610 O HOH B 25 2.430 4.169 22.312 1.00 0.00 O +HETATM 1611 H1 HOH B 25 2.672 3.637 21.553 1.00 0.00 H +HETATM 1612 H2 HOH B 25 2.898 4.994 22.185 1.00 0.00 H +HETATM 1613 O HOH B 26 20.313 4.269 29.645 1.00 0.00 O +HETATM 1614 H1 HOH B 26 19.990 4.522 28.780 1.00 0.00 H +HETATM 1615 H2 HOH B 26 21.265 4.325 29.571 1.00 0.00 H +HETATM 1616 O HOH B 27 0.934 17.162 21.627 1.00 0.00 O +HETATM 1617 H1 HOH B 27 1.177 16.310 21.263 1.00 0.00 H +HETATM 1618 H2 HOH B 27 0.257 17.491 21.036 1.00 0.00 H +HETATM 1619 O HOH B 28 1.336 -5.313 22.102 1.00 0.00 O +HETATM 1620 H1 HOH B 28 0.634 -5.644 21.541 1.00 0.00 H +HETATM 1621 H2 HOH B 28 1.909 -4.829 21.508 1.00 0.00 H +HETATM 1622 O HOH B 29 2.294 20.833 24.602 1.00 0.00 O +HETATM 1623 H1 HOH B 29 2.538 19.910 24.524 1.00 0.00 H +HETATM 1624 H2 HOH B 29 1.782 21.013 23.814 1.00 0.00 H +HETATM 1625 O HOH B 30 -0.425 40.953 11.987 1.00 0.00 O +HETATM 1626 H1 HOH B 30 0.003 40.151 12.289 1.00 0.00 H +HETATM 1627 H2 HOH B 30 -1.064 40.654 11.339 1.00 0.00 H +HETATM 1628 O HOH B 31 6.474 -7.329 25.456 1.00 0.00 O +HETATM 1629 H1 HOH B 31 5.622 -7.728 25.632 1.00 0.00 H +HETATM 1630 H2 HOH B 31 6.845 -7.163 26.323 1.00 0.00 H +HETATM 1631 O HOH B 32 2.344 -13.817 32.913 1.00 0.00 O +HETATM 1632 H1 HOH B 32 2.444 -13.630 33.847 1.00 0.00 H +HETATM 1633 H2 HOH B 32 3.136 -14.302 32.679 1.00 0.00 H +HETATM 1634 O HOH B 33 11.935 5.890 26.177 1.00 0.00 O +HETATM 1635 H1 HOH B 33 11.101 5.463 26.372 1.00 0.00 H +HETATM 1636 H2 HOH B 33 12.496 5.185 25.853 1.00 0.00 H +HETATM 1637 O HOH B 34 3.741 11.282 38.549 1.00 0.00 O +HETATM 1638 H1 HOH B 34 3.941 12.083 38.065 1.00 0.00 H +HETATM 1639 H2 HOH B 34 4.582 10.833 38.628 1.00 0.00 H +HETATM 1640 O HOH B 35 5.674 13.187 10.733 1.00 0.00 O +HETATM 1641 H1 HOH B 35 5.439 13.476 9.851 1.00 0.00 H +HETATM 1642 H2 HOH B 35 6.631 13.182 10.737 1.00 0.00 H +HETATM 1643 O HOH B 36 9.570 19.578 21.499 1.00 0.00 O +HETATM 1644 H1 HOH B 36 8.956 19.223 22.141 1.00 0.00 H +HETATM 1645 H2 HOH B 36 10.147 20.148 22.007 1.00 0.00 H +HETATM 1646 O HOH B 37 -0.791 -11.073 17.305 1.00 0.00 O +HETATM 1647 H1 HOH B 37 -1.351 -10.298 17.269 1.00 0.00 H +HETATM 1648 H2 HOH B 37 -0.845 -11.450 16.427 1.00 0.00 H +HETATM 1649 O HOH B 38 -1.177 21.232 20.469 1.00 0.00 O +HETATM 1650 H1 HOH B 38 -1.661 20.428 20.282 1.00 0.00 H +HETATM 1651 H2 HOH B 38 -0.964 21.590 19.607 1.00 0.00 H +HETATM 1652 O HOH B 39 8.465 34.407 16.200 1.00 0.00 O +HETATM 1653 H1 HOH B 39 8.007 35.247 16.160 1.00 0.00 H +HETATM 1654 H2 HOH B 39 8.644 34.186 15.286 1.00 0.00 H +HETATM 1655 O HOH B 40 17.277 3.815 25.854 1.00 0.00 O +HETATM 1656 H1 HOH B 40 16.626 3.790 26.556 1.00 0.00 H +HETATM 1657 H2 HOH B 40 16.804 4.164 25.100 1.00 0.00 H +HETATM 1658 O HOH B 41 9.005 1.877 17.407 1.00 0.00 O +HETATM 1659 H1 HOH B 41 8.082 2.131 17.408 1.00 0.00 H +HETATM 1660 H2 HOH B 41 9.419 2.477 18.027 1.00 0.00 H +HETATM 1661 O HOH B 42 11.154 4.342 15.080 1.00 0.00 O +HETATM 1662 H1 HOH B 42 11.143 4.019 15.981 1.00 0.00 H +HETATM 1663 H2 HOH B 42 12.065 4.592 14.927 1.00 0.00 H +HETATM 1664 O HOH B 43 0.595 12.313 36.018 1.00 0.00 O +HETATM 1665 H1 HOH B 43 -0.169 12.606 36.515 1.00 0.00 H +HETATM 1666 H2 HOH B 43 0.263 12.167 35.132 1.00 0.00 H +HETATM 1667 O HOH B 44 21.475 11.890 5.049 1.00 0.00 O +HETATM 1668 H1 HOH B 44 20.693 11.440 5.371 1.00 0.00 H +HETATM 1669 H2 HOH B 44 21.151 12.730 4.724 1.00 0.00 H +HETATM 1670 O HOH B 45 3.030 2.756 17.069 1.00 0.00 O +HETATM 1671 H1 HOH B 45 3.723 2.206 16.703 1.00 0.00 H +HETATM 1672 H2 HOH B 45 2.742 3.299 16.335 1.00 0.00 H +HETATM 1673 O HOH B 46 0.173 20.951 28.413 1.00 0.00 O +HETATM 1674 H1 HOH B 46 -0.603 21.508 28.347 1.00 0.00 H +HETATM 1675 H2 HOH B 46 0.905 21.534 28.209 1.00 0.00 H +HETATM 1676 O HOH B 47 3.640 13.786 18.722 1.00 0.00 O +HETATM 1677 H1 HOH B 47 3.159 13.176 19.281 1.00 0.00 H +HETATM 1678 H2 HOH B 47 2.981 14.126 18.116 1.00 0.00 H +HETATM 1679 O HOH B 48 -10.732 -2.776 30.204 1.00 0.00 O +HETATM 1680 H1 HOH B 48 -10.414 -1.950 29.841 1.00 0.00 H +HETATM 1681 H2 HOH B 48 -11.170 -3.208 29.470 1.00 0.00 H +HETATM 1682 O HOH B 49 2.251 21.036 18.090 1.00 0.00 O +HETATM 1683 H1 HOH B 49 2.211 20.166 18.488 1.00 0.00 H +HETATM 1684 H2 HOH B 49 2.644 21.590 18.765 1.00 0.00 H +HETATM 1685 O HOH B 50 7.950 23.210 24.424 1.00 0.00 O +HETATM 1686 H1 HOH B 50 7.051 23.014 24.159 1.00 0.00 H +HETATM 1687 H2 HOH B 50 8.024 22.846 25.306 1.00 0.00 H +HETATM 1688 O HOH B 51 1.929 0.434 20.693 1.00 0.00 O +HETATM 1689 H1 HOH B 51 1.130 0.869 20.989 1.00 0.00 H +HETATM 1690 H2 HOH B 51 2.450 1.133 20.298 1.00 0.00 H +HETATM 1691 O HOH B 52 0.866 8.551 39.937 1.00 0.00 O +HETATM 1692 H1 HOH B 52 0.292 8.553 39.171 1.00 0.00 H +HETATM 1693 H2 HOH B 52 0.454 7.937 40.544 1.00 0.00 H +HETATM 1694 O HOH B 53 12.758 16.350 6.465 1.00 0.00 O +HETATM 1695 H1 HOH B 53 12.938 16.831 7.273 1.00 0.00 H +HETATM 1696 H2 HOH B 53 12.983 16.964 5.766 1.00 0.00 H +HETATM 1697 O HOH B 54 37.595 5.483 20.259 1.00 0.00 O +HETATM 1698 H1 HOH B 54 37.614 6.178 19.601 1.00 0.00 H +HETATM 1699 H2 HOH B 54 36.706 5.509 20.611 1.00 0.00 H +HETATM 1700 O HOH B 55 9.434 6.329 40.894 1.00 0.00 O +HETATM 1701 H1 HOH B 55 9.928 5.591 41.251 1.00 0.00 H +HETATM 1702 H2 HOH B 55 9.935 6.603 40.125 1.00 0.00 H +HETATM 1703 O HOH B 56 -0.821 -9.974 -3.177 1.00 0.00 O +HETATM 1704 H1 HOH B 56 -0.251 -9.946 -2.408 1.00 0.00 H +HETATM 1705 H2 HOH B 56 -0.224 -9.907 -3.922 1.00 0.00 H +HETATM 1706 O HOH B 57 14.528 9.799 23.621 1.00 0.00 O +HETATM 1707 H1 HOH B 57 14.657 10.256 24.452 1.00 0.00 H +HETATM 1708 H2 HOH B 57 15.020 10.317 22.984 1.00 0.00 H +HETATM 1709 O HOH B 58 12.624 21.898 29.214 1.00 0.00 O +HETATM 1710 H1 HOH B 58 12.643 21.105 29.751 1.00 0.00 H +HETATM 1711 H2 HOH B 58 11.778 21.865 28.768 1.00 0.00 H +HETATM 1712 O HOH B 59 22.741 9.962 13.636 1.00 0.00 O +HETATM 1713 H1 HOH B 59 22.565 10.606 14.322 1.00 0.00 H +HETATM 1714 H2 HOH B 59 21.877 9.738 13.290 1.00 0.00 H +HETATM 1715 O HOH B 60 5.623 4.692 17.613 1.00 0.00 O +HETATM 1716 H1 HOH B 60 5.382 4.773 16.690 1.00 0.00 H +HETATM 1717 H2 HOH B 60 5.953 3.797 17.697 1.00 0.00 H +HETATM 1718 O HOH B 61 29.304 18.627 19.212 1.00 0.00 O +HETATM 1719 H1 HOH B 61 29.773 18.255 18.465 1.00 0.00 H +HETATM 1720 H2 HOH B 61 29.353 17.950 19.887 1.00 0.00 H +HETATM 1721 O HOH B 62 5.657 22.863 30.707 1.00 0.00 O +HETATM 1722 H1 HOH B 62 5.322 22.002 30.455 1.00 0.00 H +HETATM 1723 H2 HOH B 62 5.468 22.930 31.643 1.00 0.00 H +HETATM 1724 O HOH B 63 3.419 6.062 18.703 1.00 0.00 O +HETATM 1725 H1 HOH B 63 2.862 6.301 17.963 1.00 0.00 H +HETATM 1726 H2 HOH B 63 4.200 5.680 18.302 1.00 0.00 H +HETATM 1727 O HOH B 64 -0.329 13.886 42.420 1.00 0.00 O +HETATM 1728 H1 HOH B 64 0.467 13.799 41.896 1.00 0.00 H +HETATM 1729 H2 HOH B 64 -0.833 13.097 42.223 1.00 0.00 H +HETATM 1730 O HOH B 65 4.845 0.152 18.981 1.00 0.00 O +HETATM 1731 H1 HOH B 65 5.221 -0.016 19.845 1.00 0.00 H +HETATM 1732 H2 HOH B 65 4.071 -0.410 18.942 1.00 0.00 H +HETATM 1733 O HOH B 66 1.116 35.817 22.345 1.00 0.00 O +HETATM 1734 H1 HOH B 66 1.534 34.957 22.301 1.00 0.00 H +HETATM 1735 H2 HOH B 66 0.316 35.722 21.828 1.00 0.00 H +HETATM 1736 O HOH B 67 21.182 4.853 32.244 1.00 0.00 O +HETATM 1737 H1 HOH B 67 20.891 4.647 31.355 1.00 0.00 H +HETATM 1738 H2 HOH B 67 20.677 5.629 32.488 1.00 0.00 H +HETATM 1739 O HOH B 68 -0.662 12.656 28.296 1.00 0.00 O +HETATM 1740 H1 HOH B 68 -1.218 12.474 27.539 1.00 0.00 H +HETATM 1741 H2 HOH B 68 -0.751 13.598 28.439 1.00 0.00 H +HETATM 1742 O HOH B 69 3.202 26.522 22.974 1.00 0.00 O +HETATM 1743 H1 HOH B 69 2.473 26.835 22.438 1.00 0.00 H +HETATM 1744 H2 HOH B 69 2.919 25.662 23.285 1.00 0.00 H +HETATM 1745 O HOH B 70 1.360 -15.257 39.437 1.00 0.00 O +HETATM 1746 H1 HOH B 70 2.163 -15.490 38.970 1.00 0.00 H +HETATM 1747 H2 HOH B 70 1.049 -16.083 39.806 1.00 0.00 H +HETATM 1748 O HOH B 71 13.127 26.491 14.169 1.00 0.00 O +HETATM 1749 H1 HOH B 71 12.732 26.506 13.297 1.00 0.00 H +HETATM 1750 H2 HOH B 71 12.438 26.814 14.750 1.00 0.00 H +HETATM 1751 O HOH B 72 3.050 3.402 19.632 1.00 0.00 O +HETATM 1752 H1 HOH B 72 3.009 4.358 19.597 1.00 0.00 H +HETATM 1753 H2 HOH B 72 2.951 3.124 18.722 1.00 0.00 H +HETATM 1754 O HOH B 73 1.172 13.690 3.556 1.00 0.00 O +HETATM 1755 H1 HOH B 73 1.577 13.297 4.329 1.00 0.00 H +HETATM 1756 H2 HOH B 73 0.544 13.034 3.254 1.00 0.00 H +HETATM 1757 O HOH B 74 4.527 6.143 15.095 1.00 0.00 O +HETATM 1758 H1 HOH B 74 3.655 6.536 15.079 1.00 0.00 H +HETATM 1759 H2 HOH B 74 5.123 6.874 14.928 1.00 0.00 H +HETATM 1760 O HOH B 75 18.000 24.779 14.890 1.00 0.00 O +HETATM 1761 H1 HOH B 75 17.073 24.904 14.687 1.00 0.00 H +HETATM 1762 H2 HOH B 75 18.154 25.330 15.657 1.00 0.00 H +HETATM 1763 O HOH B 76 2.158 14.036 21.525 1.00 0.00 O +HETATM 1764 H1 HOH B 76 1.689 14.016 20.691 1.00 0.00 H +HETATM 1765 H2 HOH B 76 1.933 13.207 21.947 1.00 0.00 H +HETATM 1766 O HOH B 77 22.510 16.098 2.988 1.00 0.00 O +HETATM 1767 H1 HOH B 77 21.875 16.552 3.542 1.00 0.00 H +HETATM 1768 H2 HOH B 77 22.664 16.698 2.258 1.00 0.00 H +HETATM 1769 O HOH B 78 22.511 20.478 26.729 1.00 0.00 O +HETATM 1770 H1 HOH B 78 23.311 20.309 26.232 1.00 0.00 H +HETATM 1771 H2 HOH B 78 22.174 21.299 26.370 1.00 0.00 H +HETATM 1772 O HOH B 79 1.958 5.729 12.144 1.00 0.00 O +HETATM 1773 H1 HOH B 79 1.501 6.562 12.266 1.00 0.00 H +HETATM 1774 H2 HOH B 79 2.047 5.642 11.195 1.00 0.00 H +HETATM 1775 O HOH B 80 7.932 18.582 23.299 1.00 0.00 O +HETATM 1776 H1 HOH B 80 7.693 18.899 24.171 1.00 0.00 H +HETATM 1777 H2 HOH B 80 7.776 17.638 23.336 1.00 0.00 H +HETATM 1778 O HOH B 81 13.477 18.985 32.317 1.00 0.00 O +HETATM 1779 H1 HOH B 81 13.701 19.375 31.473 1.00 0.00 H +HETATM 1780 H2 HOH B 81 13.920 19.537 32.962 1.00 0.00 H +HETATM 1781 O HOH B 82 -0.653 18.380 19.722 1.00 0.00 O +HETATM 1782 H1 HOH B 82 0.276 18.577 19.601 1.00 0.00 H +HETATM 1783 H2 HOH B 82 -1.081 18.765 18.957 1.00 0.00 H +HETATM 1784 O HOH B 83 3.081 21.892 26.983 1.00 0.00 O +HETATM 1785 H1 HOH B 83 3.954 22.182 26.719 1.00 0.00 H +HETATM 1786 H2 HOH B 83 2.682 21.567 26.176 1.00 0.00 H +HETATM 1787 O HOH B 84 1.854 14.140 13.892 1.00 0.00 O +HETATM 1788 H1 HOH B 84 1.837 13.261 13.513 1.00 0.00 H +HETATM 1789 H2 HOH B 84 1.956 14.724 13.141 1.00 0.00 H +HETATM 1790 O HOH B 85 7.857 33.502 18.707 1.00 0.00 O +HETATM 1791 H1 HOH B 85 7.200 32.806 18.717 1.00 0.00 H +HETATM 1792 H2 HOH B 85 7.943 33.736 17.783 1.00 0.00 H +HETATM 1793 O HOH B 86 5.448 28.021 14.845 1.00 0.00 O +HETATM 1794 H1 HOH B 86 5.946 27.744 14.076 1.00 0.00 H +HETATM 1795 H2 HOH B 86 5.393 28.973 14.766 1.00 0.00 H +HETATM 1796 O HOH B 87 18.916 17.823 -0.314 1.00 0.00 O +HETATM 1797 H1 HOH B 87 19.749 17.450 -0.603 1.00 0.00 H +HETATM 1798 H2 HOH B 87 18.988 18.756 -0.517 1.00 0.00 H +HETATM 1799 O HOH B 88 4.296 20.841 2.197 1.00 0.00 O +HETATM 1800 H1 HOH B 88 3.888 21.243 1.431 1.00 0.00 H +HETATM 1801 H2 HOH B 88 3.693 21.028 2.916 1.00 0.00 H +HETATM 1802 O HOH B 89 24.844 13.513 5.948 1.00 0.00 O +HETATM 1803 H1 HOH B 89 24.056 13.986 6.216 1.00 0.00 H +HETATM 1804 H2 HOH B 89 24.988 13.781 5.040 1.00 0.00 H +HETATM 1805 O HOH B 90 2.651 23.713 23.884 1.00 0.00 O +HETATM 1806 H1 HOH B 90 2.007 23.036 23.675 1.00 0.00 H +HETATM 1807 H2 HOH B 90 3.485 23.351 23.586 1.00 0.00 H +HETATM 1808 O HOH B 91 20.958 23.040 25.999 1.00 0.00 O +HETATM 1809 H1 HOH B 91 20.579 23.474 25.234 1.00 0.00 H +HETATM 1810 H2 HOH B 91 21.061 23.740 26.644 1.00 0.00 H +HETATM 1811 O HOH B 92 23.186 5.780 6.670 1.00 0.00 O +HETATM 1812 H1 HOH B 92 23.916 5.186 6.498 1.00 0.00 H +HETATM 1813 H2 HOH B 92 22.479 5.460 6.109 1.00 0.00 H +HETATM 1814 O HOH B 93 8.764 17.776 13.295 1.00 0.00 O +HETATM 1815 H1 HOH B 93 7.824 17.637 13.407 1.00 0.00 H +HETATM 1816 H2 HOH B 93 9.115 16.904 13.113 1.00 0.00 H +HETATM 1817 O HOH B 94 26.801 11.826 33.440 1.00 0.00 O +HETATM 1818 H1 HOH B 94 27.455 12.115 32.804 1.00 0.00 H +HETATM 1819 H2 HOH B 94 26.103 12.479 33.381 1.00 0.00 H +HETATM 1820 O HOH B 95 25.785 15.352 27.329 1.00 0.00 O +HETATM 1821 H1 HOH B 95 24.945 14.905 27.226 1.00 0.00 H +HETATM 1822 H2 HOH B 95 26.248 15.187 26.508 1.00 0.00 H +HETATM 1823 O HOH B 96 -10.715 14.873 17.964 1.00 0.00 O +HETATM 1824 H1 HOH B 96 -10.190 14.717 18.749 1.00 0.00 H +HETATM 1825 H2 HOH B 96 -10.983 15.789 18.032 1.00 0.00 H +HETATM 1826 O HOH B 97 18.904 35.168 13.624 1.00 0.00 O +HETATM 1827 H1 HOH B 97 19.483 35.797 13.192 1.00 0.00 H +HETATM 1828 H2 HOH B 97 18.805 34.459 12.989 1.00 0.00 H +HETATM 1829 O HOH B 98 20.621 9.430 36.543 1.00 0.00 O +HETATM 1830 H1 HOH B 98 21.352 8.894 36.237 1.00 0.00 H +HETATM 1831 H2 HOH B 98 20.680 10.234 36.027 1.00 0.00 H +HETATM 1832 O HOH B 99 6.865 -4.199 28.081 1.00 0.00 O +HETATM 1833 H1 HOH B 99 6.991 -5.147 28.127 1.00 0.00 H +HETATM 1834 H2 HOH B 99 6.482 -3.966 28.927 1.00 0.00 H +HETATM 1835 O HOH B 100 -6.523 9.815 12.267 1.00 0.00 O +HETATM 1836 H1 HOH B 100 -7.194 10.470 12.075 1.00 0.00 H +HETATM 1837 H2 HOH B 100 -6.230 9.513 11.407 1.00 0.00 H +HETATM 1838 O HOH B 101 1.699 18.953 2.433 1.00 0.00 O +HETATM 1839 H1 HOH B 101 1.178 19.575 1.925 1.00 0.00 H +HETATM 1840 H2 HOH B 101 1.310 18.100 2.239 1.00 0.00 H +HETATM 1841 O HOH B 102 11.994 3.871 17.672 1.00 0.00 O +HETATM 1842 H1 HOH B 102 12.005 4.200 18.571 1.00 0.00 H +HETATM 1843 H2 HOH B 102 12.848 4.116 17.316 1.00 0.00 H +HETATM 1844 O HOH B 103 0.474 16.300 29.638 1.00 0.00 O +HETATM 1845 H1 HOH B 103 0.650 15.404 29.924 1.00 0.00 H +HETATM 1846 H2 HOH B 103 0.097 16.204 28.763 1.00 0.00 H +HETATM 1847 O HOH B 104 21.598 11.776 35.288 1.00 0.00 O +HETATM 1848 H1 HOH B 104 21.149 12.291 34.617 1.00 0.00 H +HETATM 1849 H2 HOH B 104 22.425 11.519 34.879 1.00 0.00 H +HETATM 1850 O HOH B 105 -3.589 10.588 10.803 1.00 0.00 O +HETATM 1851 H1 HOH B 105 -4.400 10.730 10.315 1.00 0.00 H +HETATM 1852 H2 HOH B 105 -3.877 10.313 11.673 1.00 0.00 H +HETATM 1853 O HOH B 106 -6.577 14.207 4.004 1.00 0.00 O +HETATM 1854 H1 HOH B 106 -7.362 14.211 3.457 1.00 0.00 H +HETATM 1855 H2 HOH B 106 -5.875 14.491 3.418 1.00 0.00 H +HETATM 1856 O HOH B 107 -1.608 18.896 29.066 1.00 0.00 O +HETATM 1857 H1 HOH B 107 -1.013 19.598 28.803 1.00 0.00 H +HETATM 1858 H2 HOH B 107 -1.592 18.913 30.023 1.00 0.00 H +HETATM 1859 O HOH B 108 -3.951 12.296 2.516 1.00 0.00 O +HETATM 1860 H1 HOH B 108 -4.390 12.420 3.357 1.00 0.00 H +HETATM 1861 H2 HOH B 108 -3.052 12.063 2.747 1.00 0.00 H +HETATM 1862 O HOH B 109 9.748 -6.828 -1.155 1.00 0.00 O +HETATM 1863 H1 HOH B 109 10.158 -6.491 -1.951 1.00 0.00 H +HETATM 1864 H2 HOH B 109 9.439 -6.047 -0.695 1.00 0.00 H +HETATM 1865 O HOH B 110 -4.519 14.801 33.116 1.00 0.00 O +HETATM 1866 H1 HOH B 110 -4.384 15.558 32.546 1.00 0.00 H +HETATM 1867 H2 HOH B 110 -5.449 14.592 33.021 1.00 0.00 H +HETATM 1868 O HOH B 111 0.646 3.756 24.422 1.00 0.00 O +HETATM 1869 H1 HOH B 111 1.033 2.945 24.751 1.00 0.00 H +HETATM 1870 H2 HOH B 111 1.304 4.110 23.823 1.00 0.00 H +HETATM 1871 O HOH B 112 11.190 0.990 15.853 1.00 0.00 O +HETATM 1872 H1 HOH B 112 11.701 1.753 16.124 1.00 0.00 H +HETATM 1873 H2 HOH B 112 10.378 1.055 16.356 1.00 0.00 H +HETATM 1874 O HOH B 113 13.378 4.066 24.628 1.00 0.00 O +HETATM 1875 H1 HOH B 113 14.013 4.423 24.007 1.00 0.00 H +HETATM 1876 H2 HOH B 113 13.283 3.148 24.374 1.00 0.00 H +HETATM 1877 O HOH B 114 -4.316 7.945 35.284 1.00 0.00 O +HETATM 1878 H1 HOH B 114 -3.654 8.101 35.957 1.00 0.00 H +HETATM 1879 H2 HOH B 114 -4.064 7.111 34.888 1.00 0.00 H +HETATM 1880 O HOH B 115 5.400 3.679 14.852 1.00 0.00 O +HETATM 1881 H1 HOH B 115 4.956 4.513 15.003 1.00 0.00 H +HETATM 1882 H2 HOH B 115 5.977 3.846 14.106 1.00 0.00 H +HETATM 1883 O HOH B 116 15.353 -2.004 14.047 1.00 0.00 O +HETATM 1884 H1 HOH B 116 14.603 -1.417 14.140 1.00 0.00 H +HETATM 1885 H2 HOH B 116 14.965 -2.869 13.911 1.00 0.00 H +HETATM 1886 O HOH B 117 23.569 10.996 6.343 1.00 0.00 O +HETATM 1887 H1 HOH B 117 24.148 11.742 6.500 1.00 0.00 H +HETATM 1888 H2 HOH B 117 22.960 11.301 5.671 1.00 0.00 H +HETATM 1889 O HOH B 118 2.699 18.139 23.714 1.00 0.00 O +HETATM 1890 H1 HOH B 118 3.441 18.431 23.185 1.00 0.00 H +HETATM 1891 H2 HOH B 118 2.003 17.970 23.078 1.00 0.00 H +HETATM 1892 O HOH B 119 -14.057 16.691 16.507 1.00 0.00 O +HETATM 1893 H1 HOH B 119 -13.669 16.966 17.338 1.00 0.00 H +HETATM 1894 H2 HOH B 119 -14.303 17.509 16.075 1.00 0.00 H +HETATM 1895 O HOH B 120 -1.434 8.616 11.142 1.00 0.00 O +HETATM 1896 H1 HOH B 120 -1.613 9.342 10.544 1.00 0.00 H +HETATM 1897 H2 HOH B 120 -1.945 7.886 10.792 1.00 0.00 H +HETATM 1898 O HOH B 121 1.693 7.104 16.365 1.00 0.00 O +HETATM 1899 H1 HOH B 121 0.965 6.662 15.929 1.00 0.00 H +HETATM 1900 H2 HOH B 121 1.470 8.034 16.321 1.00 0.00 H +HETATM 1901 O HOH B 122 -5.643 16.896 25.924 1.00 0.00 O +HETATM 1902 H1 HOH B 122 -5.226 16.750 25.075 1.00 0.00 H +HETATM 1903 H2 HOH B 122 -4.918 17.090 26.518 1.00 0.00 H +HETATM 1904 O HOH B 123 30.374 18.736 31.556 1.00 0.00 O +HETATM 1905 H1 HOH B 123 29.702 18.895 30.893 1.00 0.00 H +HETATM 1906 H2 HOH B 123 30.933 18.059 31.173 1.00 0.00 H +HETATM 1907 O HOH B 124 4.279 16.849 -5.997 1.00 0.00 O +HETATM 1908 H1 HOH B 124 4.766 16.545 -6.763 1.00 0.00 H +HETATM 1909 H2 HOH B 124 4.041 16.047 -5.531 1.00 0.00 H +HETATM 1910 O HOH B 125 25.336 36.000 34.444 1.00 0.00 O +HETATM 1911 H1 HOH B 125 25.775 36.723 33.996 1.00 0.00 H +HETATM 1912 H2 HOH B 125 24.404 36.206 34.376 1.00 0.00 H +HETATM 1913 O HOH B 126 14.841 20.058 3.117 1.00 0.00 O +HETATM 1914 H1 HOH B 126 14.739 20.561 2.309 1.00 0.00 H +HETATM 1915 H2 HOH B 126 15.598 20.450 3.550 1.00 0.00 H +HETATM 1916 O HOH B 127 16.116 5.329 15.893 1.00 0.00 O +HETATM 1917 H1 HOH B 127 16.505 6.179 16.100 1.00 0.00 H +HETATM 1918 H2 HOH B 127 16.860 4.729 15.852 1.00 0.00 H +HETATM 1919 O HOH B 128 9.892 -10.349 16.091 1.00 0.00 O +HETATM 1920 H1 HOH B 128 9.257 -10.922 15.660 1.00 0.00 H +HETATM 1921 H2 HOH B 128 10.657 -10.906 16.237 1.00 0.00 H +TER 1922 HOH B 128 +CONECT 1 2 5 6 7 +CONECT 2 1 3 8 9 +CONECT 3 2 4 10 11 +CONECT 4 3 12 +CONECT 5 1 +CONECT 6 1 +CONECT 7 1 +CONECT 8 2 +CONECT 9 2 +CONECT 10 3 +CONECT 11 3 +CONECT 12 4 +CONECT 13 14 17 18 19 +CONECT 14 13 15 20 21 +CONECT 15 14 16 22 23 +CONECT 16 15 24 +CONECT 17 13 +CONECT 18 13 +CONECT 19 13 +CONECT 20 14 +CONECT 21 14 +CONECT 22 15 +CONECT 23 15 +CONECT 24 16 +CONECT 25 26 29 30 31 +CONECT 26 25 27 32 33 +CONECT 27 26 28 34 35 +CONECT 28 27 36 +CONECT 29 25 +CONECT 30 25 +CONECT 31 25 +CONECT 32 26 +CONECT 33 26 +CONECT 34 27 +CONECT 35 27 +CONECT 36 28 +CONECT 37 38 41 42 43 +CONECT 38 37 39 44 45 +CONECT 39 38 40 46 47 +CONECT 40 39 48 +CONECT 41 37 +CONECT 42 37 +CONECT 43 37 +CONECT 44 38 +CONECT 45 38 +CONECT 46 39 +CONECT 47 39 +CONECT 48 40 +CONECT 49 50 53 54 55 +CONECT 50 49 51 56 57 +CONECT 51 50 52 58 59 +CONECT 52 51 60 +CONECT 53 49 +CONECT 54 49 +CONECT 55 49 +CONECT 56 50 +CONECT 57 50 +CONECT 58 51 +CONECT 59 51 +CONECT 60 52 +CONECT 61 62 65 66 67 +CONECT 62 61 63 68 69 +CONECT 63 62 64 70 71 +CONECT 64 63 72 +CONECT 65 61 +CONECT 66 61 +CONECT 67 61 +CONECT 68 62 +CONECT 69 62 +CONECT 70 63 +CONECT 71 63 +CONECT 72 64 +CONECT 73 74 77 78 79 +CONECT 74 73 75 80 81 +CONECT 75 74 76 82 83 +CONECT 76 75 84 +CONECT 77 73 +CONECT 78 73 +CONECT 79 73 +CONECT 80 74 +CONECT 81 74 +CONECT 82 75 +CONECT 83 75 +CONECT 84 76 +CONECT 85 86 89 90 91 +CONECT 86 85 87 92 93 +CONECT 87 86 88 94 95 +CONECT 88 87 96 +CONECT 89 85 +CONECT 90 85 +CONECT 91 85 +CONECT 92 86 +CONECT 93 86 +CONECT 94 87 +CONECT 95 87 +CONECT 96 88 +CONECT 97 98 101 102 103 +CONECT 98 97 99 104 105 +CONECT 99 98 100 106 107 +CONECT 100 99 108 +CONECT 101 97 +CONECT 102 97 +CONECT 103 97 +CONECT 104 98 +CONECT 105 98 +CONECT 106 99 +CONECT 107 99 +CONECT 108 100 +CONECT 109 110 113 114 115 +CONECT 110 109 111 116 117 +CONECT 111 110 112 118 119 +CONECT 112 111 120 +CONECT 113 109 +CONECT 114 109 +CONECT 115 109 +CONECT 116 110 +CONECT 117 110 +CONECT 118 111 +CONECT 119 111 +CONECT 120 112 +CONECT 121 122 125 126 127 +CONECT 122 121 123 128 129 +CONECT 123 122 124 130 131 +CONECT 124 123 132 +CONECT 125 121 +CONECT 126 121 +CONECT 127 121 +CONECT 128 122 +CONECT 129 122 +CONECT 130 123 +CONECT 131 123 +CONECT 132 124 +CONECT 133 134 137 138 139 +CONECT 134 133 135 140 141 +CONECT 135 134 136 142 143 +CONECT 136 135 144 +CONECT 137 133 +CONECT 138 133 +CONECT 139 133 +CONECT 140 134 +CONECT 141 134 +CONECT 142 135 +CONECT 143 135 +CONECT 144 136 +CONECT 145 146 149 150 151 +CONECT 146 145 147 152 153 +CONECT 147 146 148 154 155 +CONECT 148 147 156 +CONECT 149 145 +CONECT 150 145 +CONECT 151 145 +CONECT 152 146 +CONECT 153 146 +CONECT 154 147 +CONECT 155 147 +CONECT 156 148 +CONECT 157 158 161 162 163 +CONECT 158 157 159 164 165 +CONECT 159 158 160 166 167 +CONECT 160 159 168 +CONECT 161 157 +CONECT 162 157 +CONECT 163 157 +CONECT 164 158 +CONECT 165 158 +CONECT 166 159 +CONECT 167 159 +CONECT 168 160 +CONECT 169 170 173 174 175 +CONECT 170 169 171 176 177 +CONECT 171 170 172 178 179 +CONECT 172 171 180 +CONECT 173 169 +CONECT 174 169 +CONECT 175 169 +CONECT 176 170 +CONECT 177 170 +CONECT 178 171 +CONECT 179 171 +CONECT 180 172 +CONECT 181 182 185 186 187 +CONECT 182 181 183 188 189 +CONECT 183 182 184 190 191 +CONECT 184 183 192 +CONECT 185 181 +CONECT 186 181 +CONECT 187 181 +CONECT 188 182 +CONECT 189 182 +CONECT 190 183 +CONECT 191 183 +CONECT 192 184 +CONECT 193 194 197 198 199 +CONECT 194 193 195 200 201 +CONECT 195 194 196 202 203 +CONECT 196 195 204 +CONECT 197 193 +CONECT 198 193 +CONECT 199 193 +CONECT 200 194 +CONECT 201 194 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1160 1154 +CONECT 1161 1154 +CONECT 1162 1155 +CONECT 1163 1155 +CONECT 1164 1156 +CONECT 1165 1166 1169 1170 1171 +CONECT 1166 1165 1167 1172 1173 +CONECT 1167 1166 1168 1174 1175 +CONECT 1168 1167 1176 +CONECT 1169 1165 +CONECT 1170 1165 +CONECT 1171 1165 +CONECT 1172 1166 +CONECT 1173 1166 +CONECT 1174 1167 +CONECT 1175 1167 +CONECT 1176 1168 +CONECT 1177 1178 1181 1182 1183 +CONECT 1178 1177 1179 1184 1185 +CONECT 1179 1178 1180 1186 1187 +CONECT 1180 1179 1188 +CONECT 1181 1177 +CONECT 1182 1177 +CONECT 1183 1177 +CONECT 1184 1178 +CONECT 1185 1178 +CONECT 1186 1179 +CONECT 1187 1179 +CONECT 1188 1180 +CONECT 1189 1190 1193 1194 1195 +CONECT 1190 1189 1191 1196 1197 +CONECT 1191 1190 1192 1198 1199 +CONECT 1192 1191 1200 +CONECT 1193 1189 +CONECT 1194 1189 +CONECT 1195 1189 +CONECT 1196 1190 +CONECT 1197 1190 +CONECT 1198 1191 +CONECT 1199 1191 +CONECT 1200 1192 +CONECT 1201 1202 1205 1206 1207 +CONECT 1202 1201 1203 1208 1209 +CONECT 1203 1202 1204 1210 1211 +CONECT 1204 1203 1212 +CONECT 1205 1201 +CONECT 1206 1201 +CONECT 1207 1201 +CONECT 1208 1202 +CONECT 1209 1202 +CONECT 1210 1203 +CONECT 1211 1203 +CONECT 1212 1204 +CONECT 1213 1214 1217 1218 1219 +CONECT 1214 1213 1215 1220 1221 +CONECT 1215 1214 1216 1222 1223 +CONECT 1216 1215 1224 +CONECT 1217 1213 +CONECT 1218 1213 +CONECT 1219 1213 +CONECT 1220 1214 +CONECT 1221 1214 +CONECT 1222 1215 +CONECT 1223 1215 +CONECT 1224 1216 +CONECT 1225 1226 1229 1230 1231 +CONECT 1226 1225 1227 1232 1233 +CONECT 1227 1226 1228 1234 1235 +CONECT 1228 1227 1236 +CONECT 1229 1225 +CONECT 1230 1225 +CONECT 1231 1225 +CONECT 1232 1226 +CONECT 1233 1226 +CONECT 1234 1227 +CONECT 1235 1227 +CONECT 1236 1228 +CONECT 1237 1238 1241 1242 1243 +CONECT 1238 1237 1239 1244 1245 +CONECT 1239 1238 1240 1246 1247 +CONECT 1240 1239 1248 +CONECT 1241 1237 +CONECT 1242 1237 +CONECT 1243 1237 +CONECT 1244 1238 +CONECT 1245 1238 +CONECT 1246 1239 +CONECT 1247 1239 +CONECT 1248 1240 +CONECT 1249 1250 1253 1254 1255 +CONECT 1250 1249 1251 1256 1257 +CONECT 1251 1250 1252 1258 1259 +CONECT 1252 1251 1260 +CONECT 1253 1249 +CONECT 1254 1249 +CONECT 1255 1249 +CONECT 1256 1250 +CONECT 1257 1250 +CONECT 1258 1251 +CONECT 1259 1251 +CONECT 1260 1252 +CONECT 1261 1262 1265 1266 1267 +CONECT 1262 1261 1263 1268 1269 +CONECT 1263 1262 1264 1270 1271 +CONECT 1264 1263 1272 +CONECT 1265 1261 +CONECT 1266 1261 +CONECT 1267 1261 +CONECT 1268 1262 +CONECT 1269 1262 +CONECT 1270 1263 +CONECT 1271 1263 +CONECT 1272 1264 +CONECT 1273 1274 1277 1278 1279 +CONECT 1274 1273 1275 1280 1281 +CONECT 1275 1274 1276 1282 1283 +CONECT 1276 1275 1284 +CONECT 1277 1273 +CONECT 1278 1273 +CONECT 1279 1273 +CONECT 1280 1274 +CONECT 1281 1274 +CONECT 1282 1275 +CONECT 1283 1275 +CONECT 1284 1276 +CONECT 1285 1286 1289 1290 1291 +CONECT 1286 1285 1287 1292 1293 +CONECT 1287 1286 1288 1294 1295 +CONECT 1288 1287 1296 +CONECT 1289 1285 +CONECT 1290 1285 +CONECT 1291 1285 +CONECT 1292 1286 +CONECT 1293 1286 +CONECT 1294 1287 +CONECT 1295 1287 +CONECT 1296 1288 +CONECT 1297 1298 1301 1302 1303 +CONECT 1298 1297 1299 1304 1305 +CONECT 1299 1298 1300 1306 1307 +CONECT 1300 1299 1308 +CONECT 1301 1297 +CONECT 1302 1297 +CONECT 1303 1297 +CONECT 1304 1298 +CONECT 1305 1298 +CONECT 1306 1299 +CONECT 1307 1299 +CONECT 1308 1300 +CONECT 1309 1310 1313 1314 1315 +CONECT 1310 1309 1311 1316 1317 +CONECT 1311 1310 1312 1318 1319 +CONECT 1312 1311 1320 +CONECT 1313 1309 +CONECT 1314 1309 +CONECT 1315 1309 +CONECT 1316 1310 +CONECT 1317 1310 +CONECT 1318 1311 +CONECT 1319 1311 +CONECT 1320 1312 +CONECT 1321 1322 1325 1326 1327 +CONECT 1322 1321 1323 1328 1329 +CONECT 1323 1322 1324 1330 1331 +CONECT 1324 1323 1332 +CONECT 1325 1321 +CONECT 1326 1321 +CONECT 1327 1321 +CONECT 1328 1322 +CONECT 1329 1322 +CONECT 1330 1323 +CONECT 1331 1323 +CONECT 1332 1324 +CONECT 1333 1334 1337 1338 1339 +CONECT 1334 1333 1335 1340 1341 +CONECT 1335 1334 1336 1342 1343 +CONECT 1336 1335 1344 +CONECT 1337 1333 +CONECT 1338 1333 +CONECT 1339 1333 +CONECT 1340 1334 +CONECT 1341 1334 +CONECT 1342 1335 +CONECT 1343 1335 +CONECT 1344 1336 +CONECT 1345 1346 1349 1350 1351 +CONECT 1346 1345 1347 1352 1353 +CONECT 1347 1346 1348 1354 1355 +CONECT 1348 1347 1356 +CONECT 1349 1345 +CONECT 1350 1345 +CONECT 1351 1345 +CONECT 1352 1346 +CONECT 1353 1346 +CONECT 1354 1347 +CONECT 1355 1347 +CONECT 1356 1348 +CONECT 1357 1358 1361 1362 1363 +CONECT 1358 1357 1359 1364 1365 +CONECT 1359 1358 1360 1366 1367 +CONECT 1360 1359 1368 +CONECT 1361 1357 +CONECT 1362 1357 +CONECT 1363 1357 +CONECT 1364 1358 +CONECT 1365 1358 +CONECT 1366 1359 +CONECT 1367 1359 +CONECT 1368 1360 +CONECT 1369 1370 1373 1374 1375 +CONECT 1370 1369 1371 1376 1377 +CONECT 1371 1370 1372 1378 1379 +CONECT 1372 1371 1380 +CONECT 1373 1369 +CONECT 1374 1369 +CONECT 1375 1369 +CONECT 1376 1370 +CONECT 1377 1370 +CONECT 1378 1371 +CONECT 1379 1371 +CONECT 1380 1372 +CONECT 1381 1382 1385 1386 1387 +CONECT 1382 1381 1383 1388 1389 +CONECT 1383 1382 1384 1390 1391 +CONECT 1384 1383 1392 +CONECT 1385 1381 +CONECT 1386 1381 +CONECT 1387 1381 +CONECT 1388 1382 +CONECT 1389 1382 +CONECT 1390 1383 +CONECT 1391 1383 +CONECT 1392 1384 +CONECT 1393 1394 1397 1398 1399 +CONECT 1394 1393 1395 1400 1401 +CONECT 1395 1394 1396 1402 1403 +CONECT 1396 1395 1404 +CONECT 1397 1393 +CONECT 1398 1393 +CONECT 1399 1393 +CONECT 1400 1394 +CONECT 1401 1394 +CONECT 1402 1395 +CONECT 1403 1395 +CONECT 1404 1396 +CONECT 1405 1406 1409 1410 1411 +CONECT 1406 1405 1407 1412 1413 +CONECT 1407 1406 1408 1414 1415 +CONECT 1408 1407 1416 +CONECT 1409 1405 +CONECT 1410 1405 +CONECT 1411 1405 +CONECT 1412 1406 +CONECT 1413 1406 +CONECT 1414 1407 +CONECT 1415 1407 +CONECT 1416 1408 +CONECT 1417 1418 1421 1422 1423 +CONECT 1418 1417 1419 1424 1425 +CONECT 1419 1418 1420 1426 1427 +CONECT 1420 1419 1428 +CONECT 1421 1417 +CONECT 1422 1417 +CONECT 1423 1417 +CONECT 1424 1418 +CONECT 1425 1418 +CONECT 1426 1419 +CONECT 1427 1419 +CONECT 1428 1420 +CONECT 1429 1430 1433 1434 1435 +CONECT 1430 1429 1431 1436 1437 +CONECT 1431 1430 1432 1438 1439 +CONECT 1432 1431 1440 +CONECT 1433 1429 +CONECT 1434 1429 +CONECT 1435 1429 +CONECT 1436 1430 +CONECT 1437 1430 +CONECT 1438 1431 +CONECT 1439 1431 +CONECT 1440 1432 +CONECT 1441 1442 1445 1446 1447 +CONECT 1442 1441 1443 1448 1449 +CONECT 1443 1442 1444 1450 1451 +CONECT 1444 1443 1452 +CONECT 1445 1441 +CONECT 1446 1441 +CONECT 1447 1441 +CONECT 1448 1442 +CONECT 1449 1442 +CONECT 1450 1443 +CONECT 1451 1443 +CONECT 1452 1444 +CONECT 1453 1454 1457 1458 1459 +CONECT 1454 1453 1455 1460 1461 +CONECT 1455 1454 1456 1462 1463 +CONECT 1456 1455 1464 +CONECT 1457 1453 +CONECT 1458 1453 +CONECT 1459 1453 +CONECT 1460 1454 +CONECT 1461 1454 +CONECT 1462 1455 +CONECT 1463 1455 +CONECT 1464 1456 +CONECT 1465 1466 1469 1470 1471 +CONECT 1466 1465 1467 1472 1473 +CONECT 1467 1466 1468 1474 1475 +CONECT 1468 1467 1476 +CONECT 1469 1465 +CONECT 1470 1465 +CONECT 1471 1465 +CONECT 1472 1466 +CONECT 1473 1466 +CONECT 1474 1467 +CONECT 1475 1467 +CONECT 1476 1468 +CONECT 1477 1478 1481 1482 1483 +CONECT 1478 1477 1479 1484 1485 +CONECT 1479 1478 1480 1486 1487 +CONECT 1480 1479 1488 +CONECT 1481 1477 +CONECT 1482 1477 +CONECT 1483 1477 +CONECT 1484 1478 +CONECT 1485 1478 +CONECT 1486 1479 +CONECT 1487 1479 +CONECT 1488 1480 +CONECT 1489 1490 1493 1494 1495 +CONECT 1490 1489 1491 1496 1497 +CONECT 1491 1490 1492 1498 1499 +CONECT 1492 1491 1500 +CONECT 1493 1489 +CONECT 1494 1489 +CONECT 1495 1489 +CONECT 1496 1490 +CONECT 1497 1490 +CONECT 1498 1491 +CONECT 1499 1491 +CONECT 1500 1492 +CONECT 1501 1502 1505 1506 1507 +CONECT 1502 1501 1503 1508 1509 +CONECT 1503 1502 1504 1510 1511 +CONECT 1504 1503 1512 +CONECT 1505 1501 +CONECT 1506 1501 +CONECT 1507 1501 +CONECT 1508 1502 +CONECT 1509 1502 +CONECT 1510 1503 +CONECT 1511 1503 +CONECT 1512 1504 +CONECT 1513 1514 1517 1518 1519 +CONECT 1514 1513 1515 1520 1521 +CONECT 1515 1514 1516 1522 1523 +CONECT 1516 1515 1524 +CONECT 1517 1513 +CONECT 1518 1513 +CONECT 1519 1513 +CONECT 1520 1514 +CONECT 1521 1514 +CONECT 1522 1515 +CONECT 1523 1515 +CONECT 1524 1516 +CONECT 1525 1526 1529 1530 1531 +CONECT 1526 1525 1527 1532 1533 +CONECT 1527 1526 1528 1534 1535 +CONECT 1528 1527 1536 +CONECT 1529 1525 +CONECT 1530 1525 +CONECT 1531 1525 +CONECT 1532 1526 +CONECT 1533 1526 +CONECT 1534 1527 +CONECT 1535 1527 +CONECT 1536 1528 +END diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/trajectory.dcd b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/trajectory.dcd new file mode 100644 index 00000000..8b137891 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/1_equilibration_simulation_mixture/trajectory.dcd @@ -0,0 +1 @@ + diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/README.md b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/README.md new file mode 100644 index 00000000..9597ffae --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/README.md @@ -0,0 +1,5 @@ +# Test simulation data + +Files were created with `test-sim.py`. + +Trajectories ("*.dcd") were replaced with empty files to save space. diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/d3e0369bce4a4fbfbd22e4dd80f21c2b b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/d3e0369bce4a4fbfbd22e4dd80f21c2b new file mode 100644 index 00000000..2e70c1aa --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/d3e0369bce4a4fbfbd22e4dd80f21c2b @@ -0,0 +1 @@ +{"inner_xml": "\n\n The Open Force Field Initiative\n 2023-05-02\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n", "@type": "openff.evaluator.forcefield.forcefield.SmirnoffForceFieldSource"} \ No newline at end of file diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py new file mode 100644 index 00000000..75437491 --- /dev/null +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py @@ -0,0 +1,135 @@ +#!/usr/bin/env python +# coding: utf-8 + +# In[1]: + + +from openff.units import unit +from openff.evaluator.utils.observables import ObservableType +from openff.evaluator.backends import ComputeResources +from openff.evaluator.backends.dask import DaskLocalCluster +from openff.evaluator.datasets import ( + MeasurementSource, + PhysicalPropertyDataSet, + PropertyPhase, +) +from openff.evaluator.client import EvaluatorClient, RequestOptions, Request, ConnectionOptions +from openff.evaluator.server.server import Batch, EvaluatorServer + +from openff.evaluator.forcefield import ( + LigParGenForceFieldSource, + SmirnoffForceFieldSource, + TLeapForceFieldSource, +) + +from openff.evaluator.properties import Density, EnthalpyOfMixing +from openff.evaluator.substances import Substance +from openff.evaluator.thermodynamics import ThermodynamicState +from openff.evaluator.layers.equilibration import EquilibrationProperty + + +# ## Create a toy dataset +# +# Properties can be downloaded from the internet, loaded from a file, or created dynamically. Here we quickly create a small dataset. + +# In[2]: + + +dataset = PhysicalPropertyDataSet() +thermodynamic_state = ThermodynamicState( + temperature=298.15 * unit.kelvin, + pressure=101.325 * unit.kilopascal, +) +dataset.add_properties( + Density( + thermodynamic_state=thermodynamic_state, + phase=PropertyPhase.Liquid, + value=1.0 * Density.default_unit(), + uncertainty=1.0 * Density.default_unit(), + source=MeasurementSource(doi=" "), + substance=Substance.from_components("CCCO"), + ), + EnthalpyOfMixing( + thermodynamic_state=thermodynamic_state, + phase=PropertyPhase.Liquid, + value=1.0 * EnthalpyOfMixing.default_unit(), + source=MeasurementSource(doi=" "), + substance=Substance.from_components("CCCO", "O"), + ) +) + +for i, prop in enumerate(dataset.properties): + prop.id = str(i) + +# We now need to define options for both equilibration and pre-equilibrated simulation. + +# In[3]: + + +options = RequestOptions() +options.calculation_layers = ["SimulationLayer"] +density_schema = Density.default_simulation_schema( + n_molecules=256, +) + +dhmix_schema = EnthalpyOfMixing.default_simulation_schema( + n_molecules=256, +) +options.add_schema( + "SimulationLayer", + "Density", + density_schema, +) +options.add_schema( + "SimulationLayer", + "EnthalpyOfMixing", + dhmix_schema, +) + + +force_field_path = "openff-2.1.0.offxml" +force_field_source = SmirnoffForceFieldSource.from_path( + force_field_path +) + + +# In[ ]: + + +with DaskLocalCluster( + number_of_workers=1, + resources_per_worker=ComputeResources( + number_of_threads=1, + number_of_gpus=1, + preferred_gpu_toolkit=ComputeResources.GPUToolkit.CUDA, + ), +) as calculation_backend: + server = EvaluatorServer( + calculation_backend=calculation_backend, + working_directory=".", + delete_working_files=False, + port=8998 + ) + with server: + client = EvaluatorClient(connection_options=ConnectionOptions(server_port=8998)) + + + request, error = client.request_estimate( + dataset, + force_field_source, + options, + ) + results, exception = request.results(synchronous=True, polling_interval=30) + +print(len(results.queued_properties)) + +print(len(results.estimated_properties)) + +print(len(results.unsuccessful_properties)) +print(len(results.exceptions)) +results.estimated_properties.json("estimated_data_set.json", format=True); +# In[ ]: + + + + From 79a8bea169f49fedb0e22b22b546093f7df7ffcf Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Tue, 21 Jan 2025 12:22:21 +1100 Subject: [PATCH 6/8] Revert "add fix" This reverts commit 3d9f043756a9e3273c07cad14fdf92a5fcd87fa3. --- openff/evaluator/layers/layers.py | 6 +----- 1 file changed, 1 insertion(+), 5 deletions(-) diff --git a/openff/evaluator/layers/layers.py b/openff/evaluator/layers/layers.py index 581c5851..92d260e5 100644 --- a/openff/evaluator/layers/layers.py +++ b/openff/evaluator/layers/layers.py @@ -5,7 +5,6 @@ import abc import collections import logging -import math from os import path from openff.units import unit @@ -306,9 +305,6 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac returned_output.physical_property.__class__.__name__ ][layer_name] - input_uncertainty = matches[0].uncertainty - if input_uncertainty == UNDEFINED: - input_uncertainty = math.inf * matches[0].value.unit if ( options.absolute_tolerance != UNDEFINED and options.absolute_tolerance < uncertainty @@ -316,7 +312,7 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac continue elif ( options.relative_tolerance != UNDEFINED - and options.relative_tolerance * input_uncertainty < uncertainty + and options.relative_tolerance * uncertainty < uncertainty ): continue From 486f5234167dfeb950497a650738d9a060caea24 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 21 Jan 2025 01:29:59 +0000 Subject: [PATCH 7/8] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- .../_tests/test_full_workflows/conftest.py | 9 ++-- .../test_full_workflows/test_simulation.py | 47 +++++++++---------- openff/evaluator/_tests/utils.py | 8 ++-- .../simulation/dhmix-density-CCCO/test-sim.py | 34 ++++++-------- 4 files changed, 43 insertions(+), 55 deletions(-) diff --git a/openff/evaluator/_tests/test_full_workflows/conftest.py b/openff/evaluator/_tests/test_full_workflows/conftest.py index 4662d9d6..3b76f4bf 100644 --- a/openff/evaluator/_tests/test_full_workflows/conftest.py +++ b/openff/evaluator/_tests/test_full_workflows/conftest.py @@ -1,5 +1,4 @@ import pytest - from openff.units import unit from openff.evaluator.datasets import ( @@ -11,6 +10,7 @@ from openff.evaluator.substances import Substance from openff.evaluator.thermodynamics import ThermodynamicState + @pytest.fixture def dummy_enthalpy_of_mixing(): thermodynamic_state = ThermodynamicState( @@ -27,6 +27,7 @@ def dummy_enthalpy_of_mixing(): substance=Substance.from_components("CCCO", "O"), ) + @pytest.fixture def dummy_density(): thermodynamic_state = ThermodynamicState( @@ -43,13 +44,11 @@ def dummy_density(): substance=Substance.from_components("CCCO"), ) + @pytest.fixture def dummy_dataset(dummy_density, dummy_enthalpy_of_mixing): dataset = PhysicalPropertyDataSet() - dataset.add_properties( - dummy_density, - dummy_enthalpy_of_mixing - ) + dataset.add_properties(dummy_density, dummy_enthalpy_of_mixing) for i, prop in enumerate(dataset.properties): prop.id = f"{i}" diff --git a/openff/evaluator/_tests/test_full_workflows/test_simulation.py b/openff/evaluator/_tests/test_full_workflows/test_simulation.py index 849a445e..45808b8c 100644 --- a/openff/evaluator/_tests/test_full_workflows/test_simulation.py +++ b/openff/evaluator/_tests/test_full_workflows/test_simulation.py @@ -3,27 +3,25 @@ import shutil import pytest - from openff.utilities.utilities import get_data_dir_path +from openff.evaluator._tests.utils import ( + _copy_property_working_data, + _write_force_field, +) from openff.evaluator.attributes.attributes import UNDEFINED -from openff.evaluator.layers.simulation import SimulationLayer -from openff.evaluator.storage.localfile import LocalFileStorage from openff.evaluator.backends.dask import DaskLocalCluster +from openff.evaluator.client import BatchMode, EvaluatorClient, RequestOptions +from openff.evaluator.forcefield import SmirnoffForceFieldSource +from openff.evaluator.layers.simulation import SimulationLayer from openff.evaluator.properties import Density, EnthalpyOfMixing from openff.evaluator.server.server import Batch, EvaluatorServer -from openff.evaluator.client import EvaluatorClient, RequestOptions, BatchMode -from openff.evaluator.forcefield import SmirnoffForceFieldSource -from openff.evaluator._tests.utils import _write_force_field, _copy_property_working_data - +from openff.evaluator.storage.localfile import LocalFileStorage from openff.evaluator.workflow import Workflow -from openff.utilities.utilities import get_data_dir_path - def _get_simulation_request_options( n_molecules: int = 256, - ): dhmix_schema = EnthalpyOfMixing.default_simulation_schema( n_molecules=n_molecules, @@ -49,20 +47,21 @@ def _get_simulation_request_options( ) return options + class TestSimulationLayer: @pytest.fixture def dhmix_density_CCCO(self, tmp_path_factory): path = tmp_path_factory.mktemp("dhmix-density-CCCO") path.mkdir(exist_ok=True, parents=True) - + _copy_property_working_data( "test/workflows/simulation/dhmix-density-CCCO", uuid_prefix=["0", "1"], - destination_directory=path + destination_directory=path, ) return path - + def test_simulation(self, dummy_enthalpy_of_mixing, dhmix_density_CCCO): """ Test direct execution of an EnthalpyOfMixing protocol @@ -89,7 +88,6 @@ def test_simulation(self, dummy_enthalpy_of_mixing, dhmix_density_CCCO): ) ) - workflow_schema = schema.workflow_schema workflow_schema.replace_protocol_types( {"BaseBuildSystem": "BuildSmirnoffSystem"} @@ -115,7 +113,7 @@ def test_simulation(self, dummy_enthalpy_of_mixing, dhmix_density_CCCO): safe_exceptions=False, ) previous_output_paths.append(output) - + # delete existing output so we can re-create it pattern = "*conditional*/*conditional*output.json" for file in pathlib.Path(".").rglob(pattern): @@ -134,15 +132,12 @@ def test_simulation(self, dummy_enthalpy_of_mixing, dhmix_density_CCCO): ) previous_output_paths.append(output) - def test_simulation_with_server(self, dummy_dataset, dhmix_density_CCCO): """ Test the full workflow with a server """ force_field_path = "openff-2.1.0.offxml" - force_field_source = SmirnoffForceFieldSource.from_path( - force_field_path - ) + force_field_source = SmirnoffForceFieldSource.from_path(force_field_path) os.chdir(dhmix_density_CCCO) options = _get_simulation_request_options( @@ -155,30 +150,30 @@ def test_simulation_with_server(self, dummy_dataset, dhmix_density_CCCO): _copy_property_working_data( "test/workflows/simulation/dhmix-density-CCCO", uuid_prefix="0", - destination_directory=batch_path + destination_directory=batch_path, ) _copy_property_working_data( "test/workflows/simulation/dhmix-density-CCCO", uuid_prefix="1", - destination_directory=batch_path + destination_directory=batch_path, ) with DaskLocalCluster(number_of_workers=1) as calculation_backend: server = EvaluatorServer( calculation_backend=calculation_backend, working_directory=".", - delete_working_files=False + delete_working_files=False, ) with server: client = EvaluatorClient() request, error = client.request_estimate( - dummy_dataset, - force_field_source, - options + dummy_dataset, force_field_source, options ) assert error is None - results, exception = request.results(synchronous=True, polling_interval=30) + results, exception = request.results( + synchronous=True, polling_interval=30 + ) assert exception is None assert len(results.queued_properties) == 0 diff --git a/openff/evaluator/_tests/utils.py b/openff/evaluator/_tests/utils.py index 80788fb7..08d2cfbc 100644 --- a/openff/evaluator/_tests/utils.py +++ b/openff/evaluator/_tests/utils.py @@ -4,10 +4,10 @@ import uuid from contextlib import contextmanager +from openff.toolkit import ForceField from openff.units import unit - from openff.utilities.utilities import get_data_dir_path -from openff.toolkit import ForceField + from openff.evaluator.datasets import ( CalculationSource, PhysicalPropertyDataSet, @@ -281,9 +281,7 @@ def _copy_property_working_data( # locate our saved test data data_directory = pathlib.Path( - get_data_dir_path( - source_directory, "openff.evaluator" - ) + get_data_dir_path(source_directory, "openff.evaluator") ) abs_path = data_directory.resolve() destination_directory = pathlib.Path(destination_directory) diff --git a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py index 75437491..d356446d 100644 --- a/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py +++ b/openff/evaluator/data/test/workflows/simulation/dhmix-density-CCCO/test-sim.py @@ -5,31 +5,34 @@ from openff.units import unit -from openff.evaluator.utils.observables import ObservableType + from openff.evaluator.backends import ComputeResources from openff.evaluator.backends.dask import DaskLocalCluster +from openff.evaluator.client import ( + ConnectionOptions, + EvaluatorClient, + Request, + RequestOptions, +) from openff.evaluator.datasets import ( MeasurementSource, PhysicalPropertyDataSet, PropertyPhase, ) -from openff.evaluator.client import EvaluatorClient, RequestOptions, Request, ConnectionOptions -from openff.evaluator.server.server import Batch, EvaluatorServer - from openff.evaluator.forcefield import ( LigParGenForceFieldSource, SmirnoffForceFieldSource, TLeapForceFieldSource, ) - +from openff.evaluator.layers.equilibration import EquilibrationProperty from openff.evaluator.properties import Density, EnthalpyOfMixing +from openff.evaluator.server.server import Batch, EvaluatorServer from openff.evaluator.substances import Substance from openff.evaluator.thermodynamics import ThermodynamicState -from openff.evaluator.layers.equilibration import EquilibrationProperty - +from openff.evaluator.utils.observables import ObservableType # ## Create a toy dataset -# +# # Properties can be downloaded from the internet, loaded from a file, or created dynamically. Here we quickly create a small dataset. # In[2]: @@ -55,7 +58,7 @@ value=1.0 * EnthalpyOfMixing.default_unit(), source=MeasurementSource(doi=" "), substance=Substance.from_components("CCCO", "O"), - ) + ), ) for i, prop in enumerate(dataset.properties): @@ -88,9 +91,7 @@ force_field_path = "openff-2.1.0.offxml" -force_field_source = SmirnoffForceFieldSource.from_path( - force_field_path -) +force_field_source = SmirnoffForceFieldSource.from_path(force_field_path) # In[ ]: @@ -108,12 +109,11 @@ calculation_backend=calculation_backend, working_directory=".", delete_working_files=False, - port=8998 + port=8998, ) with server: client = EvaluatorClient(connection_options=ConnectionOptions(server_port=8998)) - request, error = client.request_estimate( dataset, force_field_source, @@ -127,9 +127,5 @@ print(len(results.unsuccessful_properties)) print(len(results.exceptions)) -results.estimated_properties.json("estimated_data_set.json", format=True); +results.estimated_properties.json("estimated_data_set.json", format=True) # In[ ]: - - - - From 1b1123ec8d6db4d566fe629a90b4b95586706f9d Mon Sep 17 00:00:00 2001 From: Lily Wang Date: Tue, 21 Jan 2025 13:24:12 +1100 Subject: [PATCH 8/8] Revert "Revert "add fix"" This reverts commit 79a8bea169f49fedb0e22b22b546093f7df7ffcf. --- openff/evaluator/layers/layers.py | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/openff/evaluator/layers/layers.py b/openff/evaluator/layers/layers.py index 92d260e5..581c5851 100644 --- a/openff/evaluator/layers/layers.py +++ b/openff/evaluator/layers/layers.py @@ -5,6 +5,7 @@ import abc import collections import logging +import math from os import path from openff.units import unit @@ -305,6 +306,9 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac returned_output.physical_property.__class__.__name__ ][layer_name] + input_uncertainty = matches[0].uncertainty + if input_uncertainty == UNDEFINED: + input_uncertainty = math.inf * matches[0].value.unit if ( options.absolute_tolerance != UNDEFINED and options.absolute_tolerance < uncertainty @@ -312,7 +316,7 @@ def _process_results(results_future, batch, layer_name, storage_backend, callbac continue elif ( options.relative_tolerance != UNDEFINED - and options.relative_tolerance * uncertainty < uncertainty + and options.relative_tolerance * input_uncertainty < uncertainty ): continue