diff --git a/src/openfe/__init__.py b/src/openfe/__init__.py index cb689bbed..a320e7e98 100644 --- a/src/openfe/__init__.py +++ b/src/openfe/__init__.py @@ -54,6 +54,7 @@ LigandAtomMapping, NonTransformation, ProteinComponent, + ProteinMembraneComponent, SmallMoleculeComponent, SolventComponent, Transformation, diff --git a/src/openfe/protocols/openmm_afe/abfe_units.py b/src/openfe/protocols/openmm_afe/abfe_units.py index f35fa8084..ffc2a0b43 100644 --- a/src/openfe/protocols/openmm_afe/abfe_units.py +++ b/src/openfe/protocols/openmm_afe/abfe_units.py @@ -15,7 +15,7 @@ from gufe import ( SolventComponent, ) -from gufe.components import Component +from gufe.components import Component, SolvatedPDBComponent from openff.units import Quantity from openff.units.openmm import to_openmm from openmm import System @@ -69,6 +69,12 @@ def _get_components(self): # an error will have been raised when calling `validate_solvent` # in the Protocol's `_create`. # Similarly we don't need to check prot_comp + + # If there is an SolvatedPDBComponent, we set the solv_comp + # in the complex to None, as it is only used in the solvent leg + if isinstance(prot_comp, SolvatedPDBComponent): + solv_comp = None + return alchem_comps, solv_comp, prot_comp, off_comps @@ -105,7 +111,7 @@ def _get_settings(self) -> dict[str, SettingsBaseModel]: settings["alchemical_settings"] = prot_settings.alchemical_settings settings["lambda_settings"] = prot_settings.complex_lambda_settings settings["engine_settings"] = prot_settings.engine_settings - settings["integrator_settings"] = prot_settings.integrator_settings + settings["integrator_settings"] = prot_settings.complex_integrator_settings settings["equil_simulation_settings"] = prot_settings.complex_equil_simulation_settings settings["equil_output_settings"] = prot_settings.complex_equil_output_settings settings["simulation_settings"] = prot_settings.complex_simulation_settings @@ -474,7 +480,7 @@ def _get_settings(self) -> dict[str, SettingsBaseModel]: settings["alchemical_settings"] = prot_settings.alchemical_settings settings["lambda_settings"] = prot_settings.solvent_lambda_settings settings["engine_settings"] = prot_settings.engine_settings - settings["integrator_settings"] = prot_settings.integrator_settings + settings["integrator_settings"] = prot_settings.solvent_integrator_settings settings["equil_simulation_settings"] = prot_settings.solvent_equil_simulation_settings settings["equil_output_settings"] = prot_settings.solvent_equil_output_settings settings["simulation_settings"] = prot_settings.solvent_simulation_settings diff --git a/src/openfe/protocols/openmm_afe/equil_afe_settings.py b/src/openfe/protocols/openmm_afe/equil_afe_settings.py index afb74528c..41cd5fa2e 100644 --- a/src/openfe/protocols/openmm_afe/equil_afe_settings.py +++ b/src/openfe/protocols/openmm_afe/equil_afe_settings.py @@ -387,10 +387,15 @@ def must_be_positive(cls, v): """ # Sampling State defining things - integrator_settings: IntegratorSettings + solvent_integrator_settings: IntegratorSettings """ Settings for controlling the integrator, such as the timestep and - barostat settings. + barostat settings in the solvent. + """ + complex_integrator_settings: IntegratorSettings + """ + Settings for controlling the integrator, such as the timestep and + barostat settings in the complex. """ # Simulation run settings diff --git a/src/openfe/protocols/openmm_afe/equil_binding_afe_method.py b/src/openfe/protocols/openmm_afe/equil_binding_afe_method.py index 28054a14d..3c8fbf210 100644 --- a/src/openfe/protocols/openmm_afe/equil_binding_afe_method.py +++ b/src/openfe/protocols/openmm_afe/equil_binding_afe_method.py @@ -32,6 +32,7 @@ import gufe from gufe import ( + BaseSolventComponent, ChemicalSystem, ProteinComponent, SmallMoleculeComponent, @@ -171,7 +172,8 @@ def _default_settings(cls): ), solvent_solvation_settings=OpenMMSolvationSettings(), engine_settings=OpenMMEngineSettings(), - integrator_settings=IntegratorSettings(), + solvent_integrator_settings=IntegratorSettings(), + complex_integrator_settings=IntegratorSettings(), restraint_settings=BoreschRestraintSettings(), solvent_equil_simulation_settings=MDSimulationSettings( equilibration_length_nvt=0.1 * offunit.nanosecond, @@ -400,6 +402,11 @@ def _validate( # Use the more complete system validation solvent checks system_validation.validate_solvent(stateA, nonbonded_method) + # Validate the barostat used in combination with the protein component + system_validation.validate_protein_barostat( + stateA, self.settings.complex_integrator_settings.barostat + ) + # Validate solvation settings settings_validation.validate_openmm_solvation_settings( self.settings.solvent_solvation_settings @@ -411,7 +418,11 @@ def _validate( # Validate integrator things settings_validation.validate_timestep( self.settings.forcefield_settings.hydrogen_mass, - self.settings.integrator_settings.timestep, + self.settings.complex_integrator_settings.timestep, + ) + settings_validation.validate_timestep( + self.settings.forcefield_settings.hydrogen_mass, + self.settings.solvent_integrator_settings.timestep, ) def _create( diff --git a/src/openfe/protocols/openmm_md/plain_md_methods.py b/src/openfe/protocols/openmm_md/plain_md_methods.py index 5d626b4ac..8b819a6c9 100644 --- a/src/openfe/protocols/openmm_md/plain_md_methods.py +++ b/src/openfe/protocols/openmm_md/plain_md_methods.py @@ -23,6 +23,7 @@ import openmm import openmm.unit as omm_unit from gufe import ( + BaseSolventComponent, ChemicalSystem, SmallMoleculeComponent, settings, @@ -32,6 +33,7 @@ from openff.toolkit.topology import Molecule as OFFMolecule from openff.units import Quantity, unit from openff.units.openmm import from_openmm, to_openmm +from openmm import MonteCarloBarostat, MonteCarloMembraneBarostat from openfe.protocols.openmm_md.plain_md_settings import ( IntegratorSettings, @@ -180,6 +182,11 @@ def _create( # Validate protein component system_validation.validate_protein(stateA) + # Validate the barostat used in combination with the protein component + system_validation.validate_protein_barostat( + stateA, self.settings.integrator_settings.barostat + ) + # Validate solvation settings settings_validation.validate_openmm_solvation_settings(self.settings.solvation_settings) @@ -187,7 +194,7 @@ def _create( # TODO: Deal with multiple ProteinComponents solvent_comp, protein_comp, small_mols = system_validation.get_components(stateA) - system_name = "Solvent MD" if solvent_comp is not None else "Vacuum MD" + system_name = "Solvent MD" if stateA.contains(BaseSolventComponent) else "Vacuum MD" for comp in [protein_comp] + small_mols: if comp is not None: @@ -363,9 +370,9 @@ def _run_MD( logger.info("Running NVT equilibration") # Set barostat frequency to zero for NVT - for x in simulation.context.getSystem().getForces(): - if x.getName() == "MonteCarloBarostat": - x.setFrequency(0) + for force in simulation.context.getSystem().getForces(): + if isinstance(force, (MonteCarloBarostat, MonteCarloMembraneBarostat)): + force.setFrequency(0) simulation.context.setVelocitiesToTemperature(to_openmm(temperature)) @@ -397,9 +404,9 @@ def _run_MD( simulation.context.setVelocitiesToTemperature(to_openmm(temperature)) # Enable the barostat for NPT - for x in simulation.context.getSystem().getForces(): - if x.getName() == "MonteCarloBarostat": - x.setFrequency(barostat_frequency.m) + for force in simulation.context.getSystem().getForces(): + if isinstance(force, (MonteCarloBarostat, MonteCarloMembraneBarostat)): + force.setFrequency(barostat_frequency.m) t0 = time.time() simulation.step(equil_steps_npt) @@ -585,7 +592,7 @@ def run( solvent_comp, protein_comp, small_mols = system_validation.get_components(stateA) # 1. Create stateA system - # Create a dictionary of OFFMol for each SMC for bookeeping + # Create a dictionary of OFFMol for each SMC for bookkeeping smc_components: dict[SmallMoleculeComponent, OFFMolecule] smc_components = {i: i.to_openff() for i in small_mols} @@ -634,6 +641,11 @@ def run( stateA_topology, molecules=[s.to_openff() for s in small_mols], ) + box = [ + openmm.Vec3(*v.value_in_unit(omm_unit.nanometer)) + for v in stateA_system.getDefaultPeriodicBoxVectors() + ] * omm_unit.nanometer + stateA_topology.setPeriodicBoxVectors(box) # f. Save pdb of entire system if output_settings.preminimized_structure: diff --git a/src/openfe/protocols/openmm_rfe/_rfe_utils/relative.py b/src/openfe/protocols/openmm_rfe/_rfe_utils/relative.py index 096199a68..96c73b438 100644 --- a/src/openfe/protocols/openmm_rfe/_rfe_utils/relative.py +++ b/src/openfe/protocols/openmm_rfe/_rfe_utils/relative.py @@ -470,9 +470,12 @@ def _check_and_store_system_forces(self): def _check_unknown_forces(forces, system_name): # TODO: double check that CMMotionRemover is ok being here - known_forces = {'HarmonicBondForce', 'HarmonicAngleForce', - 'PeriodicTorsionForce', 'NonbondedForce', - 'MonteCarloBarostat', 'CMMotionRemover', 'CMAPTorsionForce'} + known_forces = { + 'HarmonicBondForce', 'HarmonicAngleForce', + 'PeriodicTorsionForce', 'NonbondedForce', + 'MonteCarloBarostat', 'CMMotionRemover', + 'CMAPTorsionForce', 'MonteCarloMembraneBarostat', + } force_names = forces.keys() unknown_forces = set(force_names) - set(known_forces) @@ -548,9 +551,11 @@ def _handle_box(self): """ # Check that if there is a barostat in the old system, # it is added to the hybrid system - if "MonteCarloBarostat" in self._old_system_forces.keys(): + known_barostats = ["MonteCarloBarostat", "MonteCarloMembraneBarostat"] + present_barostat = [i for i in self._old_system_forces.keys() if i in known_barostats] + if len(present_barostat) == 1: barostat = copy.deepcopy( - self._old_system_forces["MonteCarloBarostat"]) + self._old_system_forces[present_barostat[0]]) self._hybrid_system.addForce(barostat) # Copy over the box vectors from the old system diff --git a/src/openfe/protocols/openmm_rfe/hybridtop_protocols.py b/src/openfe/protocols/openmm_rfe/hybridtop_protocols.py index 47ac3779e..001513028 100644 --- a/src/openfe/protocols/openmm_rfe/hybridtop_protocols.py +++ b/src/openfe/protocols/openmm_rfe/hybridtop_protocols.py @@ -25,6 +25,7 @@ ComponentMapping, LigandAtomMapping, ProteinComponent, + ProteinMembraneComponent, SmallMoleculeComponent, SolventComponent, settings, @@ -199,6 +200,17 @@ def _adaptive_settings( if stateA.contains(ProteinComponent) and stateB.contains(ProteinComponent): protocol_settings.solvation_settings.solvent_padding = 1 * offunit.nanometer + # adapt the barostat based on the system components + if stateA.contains(ProteinMembraneComponent) and stateB.contains(ProteinMembraneComponent): + protocol_settings.integrator_settings.barostat = "MonteCarloMembraneBarostat" + protocol_settings.forcefield_settings.forcefields = [ + "amber/ff14SB.xml", + "amber/tip3p_standard.xml", + "amber/tip3p_HFE_multivalent.xml", + "amber/lipid17_merged.xml", + "amber/phosaa10.xml", + ] + return protocol_settings @staticmethod @@ -539,6 +551,11 @@ def _validate( # Validate protein component system_validation.validate_protein(stateA) + # Validate the barostat used in combination with the protein component + system_validation.validate_protein_barostat( + stateA, self.settings.integrator_settings.barostat + ) + # Validate charge difference # Note: validation depends on the mapping & solvent component checks if stateA.contains(SolventComponent): diff --git a/src/openfe/protocols/openmm_septop/base.py b/src/openfe/protocols/openmm_septop/base.py index b3af8a4fd..124b3b402 100644 --- a/src/openfe/protocols/openmm_septop/base.py +++ b/src/openfe/protocols/openmm_septop/base.py @@ -169,7 +169,11 @@ def _pre_equilibrate( # Don't do anything if we're doing a dry run if dry: - return positions, system.getDefaultPeriodicBoxVectors() + box = [ + openmm.Vec3(*v.value_in_unit(omm_unit.nanometer)) + for v in system.getDefaultPeriodicBoxVectors() + ] * omm_unit.nanometer + return positions, box # TODO: Refactor this part to live outside the method call # We have to modify the output settings to have different output @@ -1374,4 +1378,11 @@ def run( **unit_result_dict, } else: - return {"debug": {"sampler": sampler}} + return { + "debug": { + "sampler": sampler, + "alchem_system": system, + "selection_indices": self.selection_indices, + "positions": equil_positions, + } + } diff --git a/src/openfe/protocols/openmm_septop/equil_septop_method.py b/src/openfe/protocols/openmm_septop/equil_septop_method.py index 51e0fdedd..18d3f096c 100644 --- a/src/openfe/protocols/openmm_septop/equil_septop_method.py +++ b/src/openfe/protocols/openmm_septop/equil_septop_method.py @@ -50,9 +50,12 @@ import openmm.unit import openmm.unit as omm_units from gufe import ( + BaseSolventComponent, ChemicalSystem, ProteinComponent, + ProteinMembraneComponent, SmallMoleculeComponent, + SolvatedPDBComponent, SolventComponent, settings, ) @@ -227,6 +230,11 @@ def _get_components(self): small_mols_B = {m: m.to_openff() for m in alchem_comps["stateB"]} small_mols = small_mols | small_mols_B + # If there is an SolvatedPDBComponent, we set the solv_comp + # in the complex to None, as it is only used in the solvent leg + if isinstance(prot_comp, SolvatedPDBComponent): + solv_comp = None + return alchem_comps, solv_comp, prot_comp, small_mols def _handle_settings(self) -> dict[str, SettingsBaseModel]: @@ -261,7 +269,7 @@ def _handle_settings(self) -> dict[str, SettingsBaseModel]: "alchemical_settings": prot_settings.alchemical_settings, "lambda_settings": prot_settings.complex_lambda_settings, "engine_settings": prot_settings.engine_settings, - "integrator_settings": prot_settings.integrator_settings, + "integrator_settings": prot_settings.complex_integrator_settings, "equil_simulation_settings": prot_settings.complex_equil_simulation_settings, "equil_output_settings": prot_settings.complex_equil_output_settings, "simulation_settings": prot_settings.complex_simulation_settings, @@ -347,7 +355,7 @@ def _handle_settings(self) -> dict[str, SettingsBaseModel]: "alchemical_settings": prot_settings.alchemical_settings, "lambda_settings": prot_settings.solvent_lambda_settings, "engine_settings": prot_settings.engine_settings, - "integrator_settings": prot_settings.integrator_settings, + "integrator_settings": prot_settings.solvent_integrator_settings, "equil_simulation_settings": prot_settings.solvent_equil_simulation_settings, "equil_output_settings": prot_settings.solvent_equil_output_settings, "simulation_settings": prot_settings.solvent_simulation_settings, @@ -1078,7 +1086,8 @@ def _default_settings(cls): solvent_padding=1.0 * unit.nanometer, ), engine_settings=OpenMMEngineSettings(), - integrator_settings=IntegratorSettings(), + solvent_integrator_settings=IntegratorSettings(), + complex_integrator_settings=IntegratorSettings(), solvent_equil_simulation_settings=MDSimulationSettings( equilibration_length_nvt=0.1 * unit.nanosecond, equilibration_length=0.1 * unit.nanosecond, @@ -1160,7 +1169,7 @@ def _validate_complex_endstates( errmsg = "No ProteinComponent found in stateB" raise ValueError(errmsg) - # check that there is a solvent component + # check that there is a BaseSolvent component if not any(isinstance(comp, SolventComponent) for comp in stateA.values()): errmsg = "No SolventComponent found in stateA" raise ValueError(errmsg) @@ -1327,7 +1336,7 @@ def _create( # Check nonbonded and solvent compatibility nonbonded_method = self.settings.forcefield_settings.nonbonded_method - # Use the more complete system validation solvent checks + # Validate solvent component system_validation.validate_solvent(stateA, nonbonded_method) # Validate solvation settings @@ -1338,6 +1347,11 @@ def _create( # Validate protein component system_validation.validate_protein(stateA) + # Validate the barostat used in combination with the protein component + system_validation.validate_protein_barostat( + stateA, self.settings.complex_integrator_settings.barostat + ) + # Create list units for complex and solvent transforms def create_setup_units(unit_cls, leg): return [ @@ -2002,6 +2016,14 @@ def run( self.logger, ) + omm_topology_AB.setPeriodicBoxVectors(box_AB) + + # ToDo: also apply REST + system_outfile = self.shared_basepath / "system.xml.bz2" + + # Serialize system, state and integrator + serialize(system, system_outfile) + topology_file = self.shared_basepath / "topology.pdb" openmm.app.pdbfile.PDBFile.writeFile( omm_topology_AB, @@ -2009,21 +2031,31 @@ def run( open(topology_file, "w"), ) - # ToDo: also apply REST - - system_outfile = self.shared_basepath / "system.xml.bz2" - - # Serialize system, state and integrator - serialize(system, system_outfile) + if not dry: + return { + "system": system_outfile, + "topology": topology_file, + "standard_state_correction_A": corr_A.to("kilocalorie_per_mole"), + "standard_state_correction_B": corr_B.to("kilocalorie_per_mole"), + "restraint_geometry_A": restraint_geom_A.model_dump(), + "restraint_geometry_B": restraint_geom_B.model_dump(), + } - return { - "system": system_outfile, - "topology": topology_file, - "standard_state_correction_A": corr_A.to("kilocalorie_per_mole"), - "standard_state_correction_B": corr_B.to("kilocalorie_per_mole"), - "restraint_geometry_A": restraint_geom_A.model_dump(), - "restraint_geometry_B": restraint_geom_B.model_dump(), - } + else: + return { + # Add in various objects we can used to test the system + "debug": { + "system": system_outfile, + "topology": topology_file, + "system_A": omm_system_A, + "system_B": omm_system_B, + "system_AB": omm_system_AB, + "restrained_system": system, + "alchem_system": alchemical_system, + "alchem_factory": alchemical_factory, + "positions": equil_positions_AB, + } + } def _execute( self, @@ -2286,11 +2318,25 @@ def run( # Serialize system, state and integrator serialize(system, system_outfile) - return { - "system": system_outfile, - "topology": topology_file, - "standard_state_correction": corr.to("kilocalorie_per_mole"), - } + if not dry: + return { + "system": system_outfile, + "topology": topology_file, + "standard_state_correction": corr.to("kilocalorie_per_mole"), + } + else: + return { + # Add in various objects we can used to test the system + "debug": { + "system": system_outfile, + "topology": topology_file, + "system_AB": omm_system_AB, + "restrained_system": system, + "alchem_system": alchemical_system, + "alchem_factory": alchemical_factory, + "positions": positions_AB, + } + } def _execute( self, @@ -2369,7 +2415,7 @@ def _execute( class SepTopComplexRunUnit(SepTopComplexMixin, BaseSepTopRunUnit): """ - Protocol Unit for the complex phase of an relative SepTop free energy + Protocol Unit for the complex phase of a relative SepTop free energy """ def _get_lambda_schedule( diff --git a/src/openfe/protocols/openmm_septop/equil_septop_settings.py b/src/openfe/protocols/openmm_septop/equil_septop_settings.py index e1898c5fa..768c77cc1 100644 --- a/src/openfe/protocols/openmm_septop/equil_septop_settings.py +++ b/src/openfe/protocols/openmm_septop/equil_septop_settings.py @@ -385,10 +385,15 @@ def must_be_positive(cls, v): """ # Sampling State defining things - integrator_settings: IntegratorSettings + solvent_integrator_settings: IntegratorSettings """ Settings for controlling the integrator, such as the timestep and - barostat settings. + barostat settings in the solvent. + """ + complex_integrator_settings: IntegratorSettings + """ + Settings for controlling the integrator, such as the timestep and + barostat settings in the complex. """ # Simulation run settings diff --git a/src/openfe/protocols/openmm_utils/omm_settings.py b/src/openfe/protocols/openmm_utils/omm_settings.py index 4e11685c6..d7584233d 100644 --- a/src/openfe/protocols/openmm_utils/omm_settings.py +++ b/src/openfe/protocols/openmm_utils/omm_settings.py @@ -34,13 +34,14 @@ ) from openff.interchange.components._packmol import _box_vectors_are_in_reduced_form from openff.units import unit -from pydantic import ConfigDict, field_validator +from pydantic import ConfigDict, field_validator, model_validator FemtosecondQuantity: TypeAlias = Annotated[GufeQuantity, specify_quantity_units("femtosecond")] InversePicosecondQuantity: TypeAlias = Annotated[ GufeQuantity, specify_quantity_units("1/picosecond") ] TimestepQuantity: TypeAlias = Annotated[GufeQuantity, specify_quantity_units("timestep")] +SurfaceTensionQuantity: TypeAlias = Annotated[GufeQuantity, specify_quantity_units("bar*nanometer")] class BaseSolvationSettings(SettingsBaseModel): @@ -382,12 +383,28 @@ class IntegratorSettings(SettingsBaseModel): """ constraint_tolerance: float = 1e-06 """Tolerance for the constraint solver. Default 1e-6.""" + barostat: Literal["MonteCarloBarostat", "MonteCarloMembraneBarostat"] = "MonteCarloBarostat" + """ + The barostat to be used in the simulations. Default MonteCarloBarostat. + Notes + ----- + If the system contains a membrane, use the `MonteCarloMembraneBarostat`. + """ barostat_frequency: TimestepQuantity = 25.0 * unit.timestep """ Frequency at which volume scaling changes should be attempted. Note: The barostat frequency is ignored for gas-phase simulations. Default 25 * unit.timestep. """ + surface_tension: Optional[SurfaceTensionQuantity] = 0 * unit.bar * unit.nanometer + """ + The surface tension in bar*nm to define the `MonteCarloMembraneBarostat`. + Default 0 * unit.bar * unit.nanometer. + Notes + ----- + The `surface_tension` is ignored when the `MonteCarloMembraneBarostat` is + not used. + """ remove_com: bool = False """ Whether or not to remove the center of mass motion. Default ``False``. @@ -423,6 +440,14 @@ def must_be_inverse_time(cls, v): raise ValueError("langevin collision_rate must be in inverse time (i.e. 1/picoseconds)") return v + @model_validator(mode="after") + def validate_surface_tension(self): + if self.barostat == "MonteCarloMembraneBarostat" and self.surface_tension is None: + raise ValueError( + "surface_tension must be set (may be zero) when using MonteCarloMembraneBarostat" + ) + return self + class OutputSettings(SettingsBaseModel): """ diff --git a/src/openfe/protocols/openmm_utils/system_creation.py b/src/openfe/protocols/openmm_utils/system_creation.py index ebe79842c..b0d4a731f 100644 --- a/src/openfe/protocols/openmm_utils/system_creation.py +++ b/src/openfe/protocols/openmm_utils/system_creation.py @@ -10,11 +10,18 @@ import numpy as np import numpy.typing as npt -from gufe import Component, ProteinComponent, SmallMoleculeComponent, SolventComponent +from gufe import ( + Component, + ProteinComponent, + ProteinMembraneComponent, + SmallMoleculeComponent, + SolvatedPDBComponent, + SolventComponent, +) from gufe.settings import OpenMMSystemGeneratorFFSettings, ThermoSettings from openff.toolkit import Molecule as OFFMol from openff.units.openmm import ensure_quantity, to_openmm -from openmm import MonteCarloBarostat, app +from openmm import MonteCarloBarostat, MonteCarloMembraneBarostat, app from openmm import unit as omm_unit from openmmforcefields.generators import SystemGenerator @@ -40,13 +47,11 @@ def get_system_generator( Force field settings, including necessary information for constraints, hydrogen mass, rigid waters, non-ligand FF xmls, and the ligand FF name. - integrator_settings: IntegratorSettings - Integrator settings, including COM removal. thermo_settings : ThermoSettings Thermodynamic settings, including necessary settings for defining the ensemble conditions. integrator_settings : IntegratorSettings - Integrator settings, including barostat control variables. + Integrator settings, including barostat control variables and COM removal. cache : Optional[pathlib.Path] Path to openff force field cache. has_solvent : bool @@ -108,8 +113,21 @@ def get_system_generator( nonperiodic_kwargs = periodic_kwargs # Add barostat if necessary - # TODO: move this to its own place where we can handle membranes - if has_solvent: + # For membrane systems, add a MonteCarloMembraneBarostat. + # if membrane barostat and not has_solvent + # ToDo: We could also only check for the barostat setting here. But for + # that we first need adaptive settings for the rfe protocol + if integrator_settings.barostat == "MonteCarloMembraneBarostat" and not has_solvent: + barostat = MonteCarloMembraneBarostat( + ensure_quantity(thermo_settings.pressure, "openmm"), + to_openmm(integrator_settings.surface_tension), + ensure_quantity(thermo_settings.temperature, "openmm"), + MonteCarloMembraneBarostat.XYIsotropic, + MonteCarloMembraneBarostat.ZFree, + integrator_settings.barostat_frequency.m, + ) + + elif has_solvent: barostat = MonteCarloBarostat( ensure_quantity(thermo_settings.pressure, "openmm"), ensure_quantity(thermo_settings.temperature, "openmm"), @@ -149,7 +167,7 @@ def get_omm_modeller( ---------- protein_comp : Optional[ProteinComponent] Protein Component, if it exists. - solvent_comp : Optional[ProteinCompoinent] + solvent_comp : Optional[SolventComponent] Solvent Component, if it exists. small_mols : dict Small molecules to add. @@ -204,8 +222,17 @@ def _add_small_mol( for comp, mol in small_mols.items(): _add_small_mol(comp, mol, system_modeller, component_resids) - # Add solvent if neeeded - if solvent_comp is not None: + # If we are working with a presolvated system (with solvent + # already added) and we have predefined box vectors, then skip solvation + # with Modeller. + skip_solvation = False + if isinstance(protein_comp, SolvatedPDBComponent): + # Set the periodic box vectors + system_modeller.topology.setPeriodicBoxVectors(to_openmm(protein_comp.box_vectors)) + skip_solvation = True + + # Add solvent if needed + if solvent_comp is not None and not skip_solvation: # Do unit conversions if necessary solvent_padding = None box_size = None diff --git a/src/openfe/protocols/openmm_utils/system_validation.py b/src/openfe/protocols/openmm_utils/system_validation.py index 3e8ed5c50..7b2ebc8b4 100644 --- a/src/openfe/protocols/openmm_utils/system_validation.py +++ b/src/openfe/protocols/openmm_utils/system_validation.py @@ -5,13 +5,17 @@ Protocols. """ +import warnings from typing import Optional, Tuple from gufe import ( + BaseSolventComponent, ChemicalSystem, Component, ProteinComponent, + ProteinMembraneComponent, SmallMoleculeComponent, + SolvatedPDBComponent, SolventComponent, ) from openff.toolkit import Molecule as OFFMol @@ -80,6 +84,11 @@ def validate_solvent(state: ChemicalSystem, nonbonded_method: str): Checks that the ChemicalSystem component has the right solvent composition for an input nonbonded_methtod. + Supported configurations are: + * Vacuum (no BaseSolventComponent) + * One BaseSolventComponent + * One SolventComponent paired with one SolvatedPDBComponent + Parameters ---------- state : ChemicalSystem @@ -90,29 +99,39 @@ def validate_solvent(state: ChemicalSystem, nonbonded_method: str): Raises ------ ValueError + * If there are more than two BaseSolventComponents in the ChemicalSystem. * If there are multiple SolventComponents in the ChemicalSystem. - * If there is a SolventComponent and the `nonbonded_method` is - `nocutoff`. + * If `nocutoff` is requested with any BaseSolventComponent present. + * If there is no BaseSolventComponent and the `nonbonded_method` is `pme`. * If the SolventComponent solvent is not water. """ - solv_comps = state.get_components_of_type(SolventComponent) + nonbonded_method = nonbonded_method.lower() + base_solv_comps = state.get_components_of_type(BaseSolventComponent) + + if len(base_solv_comps) > 2: + raise ValueError("At most one SolventComponent and one SolvatedPDBComponent are supported") + + solvent_comps = [c for c in base_solv_comps if isinstance(c, SolventComponent)] + + if len(solvent_comps) > 1: + raise ValueError("Multiple SolventComponent found, only one is supported") + + # Any BaseSolventComponent present → nocutoff is invalid + if base_solv_comps and nonbonded_method == "nocutoff": + raise ValueError("nocutoff cannot be used for solvent transformations") - if len(solv_comps) > 0: - if nonbonded_method.lower() == "nocutoff": - errmsg = "nocutoff cannot be used for solvent transformations" - raise ValueError(errmsg) + # Vacuum transform + if not base_solv_comps: + if nonbonded_method == "pme": + raise ValueError("PME cannot be used for vacuum transform") + return - if len(solv_comps) > 1: - errmsg = "Multiple SolventComponent found, only one is supported" - raise ValueError(errmsg) + # Solvent-specific checks + if solvent_comps: + solvent = solvent_comps[0] - if solv_comps[0].smiles != "O": - errmsg = "Non water solvent is not currently supported" - raise ValueError(errmsg) - else: - if nonbonded_method.lower() == "pme": - errmsg = "PME cannot be used for vacuum transform" - raise ValueError(errmsg) + if solvent.smiles != "O": + raise ValueError("Non water solvent is not currently supported") def validate_protein(state: ChemicalSystem): @@ -137,6 +156,49 @@ def validate_protein(state: ChemicalSystem): raise ValueError(errmsg) +def validate_protein_barostat(state: ChemicalSystem, barostat: str): + """ + Warn if there is a mismatch between the protein component type and barostat. + + A ProteinMembraneComponent should generally be simulated with a + MonteCarloMembraneBarostat, while non-membrane protein systems should + use a MonteCarloBarostat. + + Parameters + ---------- + state : ChemicalSystem + The chemical system to inspect. + barostat: str + The barostat to be applied to the simulation + """ + prot_comps = state.get_components_of_type(ProteinComponent) + + if not prot_comps: + return + + protein = prot_comps[0] + + if isinstance(protein, ProteinMembraneComponent) and barostat != "MonteCarloMembraneBarostat": + wmsg = ( + "A ProteinMembraneComponent is present, but a membrane-specific " + "barostat (MonteCarloMembraneBarostat) is not specified. If you " + "are simulating a system with a membrane, consider using " + "integrator_settings.barostat='MonteCarloMembraneBarostat'." + ) + warnings.warn(wmsg) + if ( + not isinstance(protein, ProteinMembraneComponent) + and barostat == "MonteCarloMembraneBarostat" + ): + wmsg = ( + "A MonteCarloMembraneBarostat is specified, but no " + "ProteinMembraneComponent is present. If you are not simulating a " + "membrane system, consider using " + "integrator_settings.barostat='MonteCarloBarostat'." + ) + warnings.warn(wmsg) + + ParseCompRet = Tuple[ Optional[SolventComponent], Optional[ProteinComponent], diff --git a/src/openfe/tests/conftest.py b/src/openfe/tests/conftest.py index deaad59e3..82f8f5efd 100644 --- a/src/openfe/tests/conftest.py +++ b/src/openfe/tests/conftest.py @@ -287,6 +287,14 @@ def T4_protein_component(): return gufe.ProteinComponent.from_pdb_file(fn, name="T4_protein") +@pytest.fixture(scope="session") +def a2a_protein_membrane_component(): + with resources.as_file(resources.files("openfe.tests.data.a2a")) as d: + fn = str(d / "protein.pdb") + + return openfe.ProteinMembraneComponent.from_pdb_file(fn, name="a2a") + + @pytest.fixture(scope="session") def eg5_protein_pdb(): with resources.as_file(resources.files("openfe.tests.data.eg5")) as d: @@ -320,6 +328,17 @@ def eg5_cofactor(eg5_cofactor_sdf) -> SmallMoleculeComponent: return SmallMoleculeComponent.from_sdf_file(eg5_cofactor_sdf) +@pytest.fixture(scope="session") +def a2a_ligands_sdf(): + with resources.as_file(resources.files("openfe.tests.data.a2a")) as d: + yield str(d / "ligands.sdf") + + +@pytest.fixture(scope="session") +def a2a_ligands(a2a_ligands_sdf) -> list[SmallMoleculeComponent]: + return [SmallMoleculeComponent(m) for m in Chem.SDMolSupplier(a2a_ligands_sdf, removeHs=False)] + + @pytest.fixture() def orion_network(): with resources.as_file(resources.files("openfe.tests.data.external_formats")) as d: diff --git a/src/openfe/tests/data/a2a/__init__.py b/src/openfe/tests/data/a2a/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/src/openfe/tests/data/a2a/ligands.sdf b/src/openfe/tests/data/a2a/ligands.sdf new file mode 100644 index 000000000..a538ae488 --- /dev/null +++ b/src/openfe/tests/data/a2a/ligands.sdf @@ -0,0 +1,1502 @@ +4g + RDKit 3D + + 36 38 0 0 0 0 0 0 0 0999 V2000 + -0.4071 3.1032 16.2445 N 0 0 0 0 0 0 0 0 0 0 0 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CREATED WITH OPENMM 2025-11-25 +CRYST1 69.587 59.164 92.692 90.00 90.00 90.00 P 1 1 +ATOM 1 N GLY A 1 -9.972 20.348 29.080 1.00 0.00 N +ATOM 2 CA GLY A 1 -9.546 20.429 27.649 1.00 0.00 C +ATOM 3 C GLY A 1 -10.770 20.402 26.737 1.00 0.00 C +ATOM 4 O GLY A 1 -11.917 20.366 27.206 1.00 0.00 O +ATOM 5 HA2 GLY A 1 -8.978 21.352 27.536 1.00 0.00 H +ATOM 6 HA3 GLY A 1 -8.781 19.665 27.507 1.00 0.00 H +ATOM 7 H GLY A 1 -10.559 21.114 29.377 1.00 0.00 H +ATOM 8 H2 GLY A 1 -10.384 19.460 29.325 1.00 0.00 H +ATOM 9 H3 GLY A 1 -9.121 20.377 29.624 1.00 0.00 H +ATOM 10 N ALA A 2 -10.497 20.136 25.424 1.00 0.00 N +ATOM 11 CA ALA A 2 -11.456 19.638 24.345 1.00 0.00 C +ATOM 12 C ALA A 2 -12.039 18.178 24.460 1.00 0.00 C +ATOM 13 O ALA A 2 -11.143 17.326 24.443 1.00 0.00 O +ATOM 14 CB ALA A 2 -10.869 19.875 22.912 1.00 0.00 C +ATOM 15 H ALA A 2 -9.558 20.165 25.056 1.00 0.00 H +ATOM 16 HA ALA A 2 -12.218 20.408 24.465 1.00 0.00 H +ATOM 17 HB1 ALA A 2 -11.612 19.722 22.130 1.00 0.00 H +ATOM 18 HB2 ALA A 2 -10.366 20.835 22.797 1.00 0.00 H +ATOM 19 HB3 ALA A 2 -10.016 19.214 22.753 1.00 0.00 H +ATOM 20 N PRO A 3 -13.371 17.891 24.469 1.00 0.00 N +ATOM 21 CA PRO A 3 -13.868 16.564 24.479 1.00 0.00 C +ATOM 22 C PRO A 3 -13.396 15.709 23.315 1.00 0.00 C +ATOM 23 O PRO A 3 -13.760 16.139 22.161 1.00 0.00 O +ATOM 24 CB PRO A 3 -15.397 16.813 24.387 1.00 0.00 C +ATOM 25 CG PRO A 3 -15.620 18.110 25.071 1.00 0.00 C +ATOM 26 CD PRO A 3 -14.435 18.871 24.470 1.00 0.00 C +ATOM 27 HA PRO A 3 -13.656 16.156 25.467 1.00 0.00 H +ATOM 28 HB2 PRO A 3 -15.721 16.888 23.349 1.00 0.00 H +ATOM 29 HB3 PRO A 3 -15.865 15.927 24.815 1.00 0.00 H +ATOM 30 HG2 PRO A 3 -16.621 18.514 24.922 1.00 0.00 H +ATOM 31 HG3 PRO A 3 -15.411 17.989 26.134 1.00 0.00 H +ATOM 32 HD2 PRO A 3 -14.645 19.358 23.517 1.00 0.00 H +ATOM 33 HD3 PRO A 3 -14.149 19.673 25.150 1.00 0.00 H +ATOM 34 N PRO A 4 -12.727 14.564 23.545 1.00 0.00 N +ATOM 35 CA PRO A 4 -12.132 13.776 22.488 1.00 0.00 C +ATOM 36 C PRO A 4 -13.184 13.188 21.561 1.00 0.00 C +ATOM 37 O PRO A 4 -12.833 12.922 20.389 1.00 0.00 O +ATOM 38 CB PRO A 4 -11.421 12.633 23.266 1.00 0.00 C +ATOM 39 CG PRO A 4 -11.199 13.191 24.600 1.00 0.00 C +ATOM 40 CD PRO A 4 -12.406 14.004 24.814 1.00 0.00 C +ATOM 41 HA PRO A 4 -11.514 14.447 21.892 1.00 0.00 H +ATOM 42 HB2 PRO A 4 -11.887 11.656 23.398 1.00 0.00 H +ATOM 43 HB3 PRO A 4 -10.565 12.185 22.760 1.00 0.00 H +ATOM 44 HG2 PRO A 4 -10.816 12.421 25.270 1.00 0.00 H +ATOM 45 HG3 PRO A 4 -10.497 14.024 24.577 1.00 0.00 H +ATOM 46 HD2 PRO A 4 -13.294 13.435 25.087 1.00 0.00 H +ATOM 47 HD3 PRO A 4 -12.238 14.794 25.546 1.00 0.00 H +ATOM 48 N ILE A 5 -14.420 13.001 22.039 1.00 0.00 N +ATOM 49 CA ILE A 5 -15.529 12.480 21.303 1.00 0.00 C +ATOM 50 C ILE A 5 -15.916 13.321 20.081 1.00 0.00 C +ATOM 51 O ILE A 5 -16.175 12.715 19.022 1.00 0.00 O +ATOM 52 CB ILE A 5 -16.704 12.211 22.181 1.00 0.00 C +ATOM 53 CG1 ILE A 5 -17.765 11.277 21.527 1.00 0.00 C +ATOM 54 CG2 ILE A 5 -17.388 13.401 22.834 1.00 0.00 C +ATOM 55 CD1 ILE A 5 -18.361 10.211 22.432 1.00 0.00 C +ATOM 56 H ILE A 5 -14.689 13.116 23.005 1.00 0.00 H +ATOM 57 HA ILE A 5 -15.201 11.568 20.804 1.00 0.00 H +ATOM 58 HB ILE A 5 -16.213 11.701 23.009 1.00 0.00 H +ATOM 59 HG12 ILE A 5 -18.639 11.800 21.140 1.00 0.00 H +ATOM 60 HG13 ILE A 5 -17.297 10.790 20.671 1.00 0.00 H +ATOM 61 HG21 ILE A 5 -18.085 13.042 23.592 1.00 0.00 H +ATOM 62 HG22 ILE A 5 -16.759 14.196 23.235 1.00 0.00 H +ATOM 63 HG23 ILE A 5 -18.090 13.889 22.159 1.00 0.00 H +ATOM 64 HD11 ILE A 5 -19.108 10.568 23.141 1.00 0.00 H +ATOM 65 HD12 ILE A 5 -18.902 9.567 21.739 1.00 0.00 H +ATOM 66 HD13 ILE A 5 -17.693 9.695 23.122 1.00 0.00 H +ATOM 67 N MET A 6 -15.787 14.660 20.108 1.00 0.00 N +ATOM 68 CA MET A 6 -16.145 15.605 19.092 1.00 0.00 C +ATOM 69 C MET A 6 -15.280 15.275 17.870 1.00 0.00 C +ATOM 70 O MET A 6 -15.792 14.871 16.803 1.00 0.00 O +ATOM 71 CB MET A 6 -15.954 17.057 19.596 1.00 0.00 C +ATOM 72 CG MET A 6 -16.966 17.503 20.637 1.00 0.00 C +ATOM 73 SD MET A 6 -16.717 19.142 21.282 1.00 0.00 S +ATOM 74 CE MET A 6 -18.145 19.453 22.373 1.00 0.00 C +ATOM 75 H MET A 6 -15.369 15.160 20.880 1.00 0.00 H +ATOM 76 HA MET A 6 -17.189 15.664 18.785 1.00 0.00 H +ATOM 77 HB2 MET A 6 -14.948 17.116 20.012 1.00 0.00 H +ATOM 78 HB3 MET A 6 -15.970 17.737 18.745 1.00 0.00 H +ATOM 79 HG2 MET A 6 -17.924 17.550 20.119 1.00 0.00 H +ATOM 80 HG3 MET A 6 -17.008 16.726 21.400 1.00 0.00 H +ATOM 81 HE1 MET A 6 -18.089 20.386 22.935 1.00 0.00 H +ATOM 82 HE2 MET A 6 -19.084 19.294 21.843 1.00 0.00 H +ATOM 83 HE3 MET A 6 -18.140 18.809 23.252 1.00 0.00 H +ATOM 84 N GLY A 7 -13.970 15.373 18.060 1.00 0.00 N +ATOM 85 CA GLY A 7 -13.041 15.216 16.911 1.00 0.00 C +ATOM 86 C GLY A 7 -12.988 13.729 16.469 1.00 0.00 C +ATOM 87 O GLY A 7 -12.678 13.560 15.298 1.00 0.00 O +ATOM 88 H GLY A 7 -13.624 15.781 18.917 1.00 0.00 H +ATOM 89 HA2 GLY A 7 -13.281 15.780 16.009 1.00 0.00 H +ATOM 90 HA3 GLY A 7 -12.027 15.528 17.165 1.00 0.00 H +ATOM 91 N SER A 8 -13.324 12.762 17.280 1.00 0.00 N +ATOM 92 CA SER A 8 -13.048 11.347 16.971 1.00 0.00 C +ATOM 93 C SER A 8 -14.246 10.824 16.172 1.00 0.00 C +ATOM 94 O SER A 8 -13.985 10.117 15.215 1.00 0.00 O +ATOM 95 CB SER A 8 -12.848 10.463 18.237 1.00 0.00 C +ATOM 96 OG SER A 8 -12.406 9.118 18.045 1.00 0.00 O +ATOM 97 H SER A 8 -13.498 13.065 18.228 1.00 0.00 H +ATOM 98 HA SER A 8 -12.194 11.258 16.300 1.00 0.00 H +ATOM 99 HB2 SER A 8 -11.968 10.863 18.741 1.00 0.00 H +ATOM 100 HB3 SER A 8 -13.673 10.560 18.943 1.00 0.00 H +ATOM 101 HG SER A 8 -11.458 9.033 18.164 1.00 0.00 H +ATOM 102 N SER A 9 -15.484 11.298 16.442 1.00 0.00 N +ATOM 103 CA SER A 9 -16.621 11.060 15.560 1.00 0.00 C +ATOM 104 C SER A 9 -16.435 11.695 14.175 1.00 0.00 C +ATOM 105 O SER A 9 -16.836 11.106 13.162 1.00 0.00 O +ATOM 106 CB SER A 9 -17.995 11.212 16.258 1.00 0.00 C +ATOM 107 OG SER A 9 -18.997 10.670 15.479 1.00 0.00 O +ATOM 108 H SER A 9 -15.729 11.861 17.244 1.00 0.00 H +ATOM 109 HA SER A 9 -16.643 9.998 15.317 1.00 0.00 H +ATOM 110 HB2 SER A 9 -18.060 10.797 17.264 1.00 0.00 H +ATOM 111 HB3 SER A 9 -18.241 12.245 16.502 1.00 0.00 H +ATOM 112 HG SER A 9 -19.825 11.155 15.525 1.00 0.00 H +ATOM 113 N VAL A 10 -15.800 12.841 14.122 1.00 0.00 N +ATOM 114 CA VAL A 10 -15.616 13.556 12.858 1.00 0.00 C +ATOM 115 C VAL A 10 -14.576 12.830 12.019 1.00 0.00 C +ATOM 116 O VAL A 10 -14.849 12.422 10.892 1.00 0.00 O +ATOM 117 CB VAL A 10 -15.104 15.011 13.087 1.00 0.00 C +ATOM 118 CG1 VAL A 10 -14.711 15.808 11.874 1.00 0.00 C +ATOM 119 CG2 VAL A 10 -16.272 15.731 13.804 1.00 0.00 C +ATOM 120 H VAL A 10 -15.472 13.394 14.900 1.00 0.00 H +ATOM 121 HA VAL A 10 -16.577 13.663 12.355 1.00 0.00 H +ATOM 122 HB VAL A 10 -14.269 14.916 13.781 1.00 0.00 H +ATOM 123 HG11 VAL A 10 -15.584 15.954 11.239 1.00 0.00 H +ATOM 124 HG12 VAL A 10 -14.402 16.780 12.256 1.00 0.00 H +ATOM 125 HG13 VAL A 10 -13.946 15.329 11.261 1.00 0.00 H +ATOM 126 HG21 VAL A 10 -15.984 16.747 14.074 1.00 0.00 H +ATOM 127 HG22 VAL A 10 -17.143 15.770 13.150 1.00 0.00 H +ATOM 128 HG23 VAL A 10 -16.669 15.148 14.635 1.00 0.00 H +ATOM 129 N TYR A 11 -13.457 12.480 12.598 1.00 0.00 N +ATOM 130 CA TYR A 11 -12.455 11.543 12.034 1.00 0.00 C +ATOM 131 C TYR A 11 -13.075 10.221 11.489 1.00 0.00 C +ATOM 132 O TYR A 11 -12.769 9.894 10.378 1.00 0.00 O +ATOM 133 CB TYR A 11 -11.361 11.290 13.102 1.00 0.00 C +ATOM 134 CG TYR A 11 -10.565 9.908 13.081 1.00 0.00 C +ATOM 135 CD1 TYR A 11 -9.581 9.740 12.078 1.00 0.00 C +ATOM 136 CD2 TYR A 11 -11.013 8.811 13.847 1.00 0.00 C +ATOM 137 CE1 TYR A 11 -9.013 8.421 11.952 1.00 0.00 C +ATOM 138 CE2 TYR A 11 -10.519 7.558 13.640 1.00 0.00 C +ATOM 139 CZ TYR A 11 -9.456 7.300 12.706 1.00 0.00 C +ATOM 140 OH TYR A 11 -8.914 6.079 12.492 1.00 0.00 O +ATOM 141 H TYR A 11 -13.324 12.793 13.549 1.00 0.00 H +ATOM 142 HA TYR A 11 -12.024 12.078 11.187 1.00 0.00 H +ATOM 143 HB2 TYR A 11 -10.705 12.160 13.136 1.00 0.00 H +ATOM 144 HB3 TYR A 11 -12.000 11.354 13.982 1.00 0.00 H +ATOM 145 HD1 TYR A 11 -9.167 10.596 11.566 1.00 0.00 H +ATOM 146 HD2 TYR A 11 -11.670 9.002 14.682 1.00 0.00 H +ATOM 147 HE1 TYR A 11 -8.085 8.480 11.405 1.00 0.00 H +ATOM 148 HE2 TYR A 11 -11.006 6.768 14.193 1.00 0.00 H +ATOM 149 HH TYR A 11 -8.939 5.905 11.548 1.00 0.00 H +ATOM 150 N ILE A 12 -13.963 9.540 12.234 1.00 0.00 N +ATOM 151 CA ILE A 12 -14.664 8.411 11.736 1.00 0.00 C +ATOM 152 C ILE A 12 -15.590 8.668 10.526 1.00 0.00 C +ATOM 153 O ILE A 12 -15.599 7.982 9.511 1.00 0.00 O +ATOM 154 CB ILE A 12 -15.649 7.841 12.847 1.00 0.00 C +ATOM 155 CG1 ILE A 12 -14.920 7.193 14.013 1.00 0.00 C +ATOM 156 CG2 ILE A 12 -16.716 6.837 12.388 1.00 0.00 C +ATOM 157 CD1 ILE A 12 -15.750 6.844 15.278 1.00 0.00 C +ATOM 158 H ILE A 12 -14.206 9.837 13.168 1.00 0.00 H +ATOM 159 HA ILE A 12 -13.988 7.576 11.552 1.00 0.00 H +ATOM 160 HB ILE A 12 -16.153 8.716 13.257 1.00 0.00 H +ATOM 161 HG12 ILE A 12 -14.470 6.286 13.610 1.00 0.00 H +ATOM 162 HG13 ILE A 12 -14.086 7.846 14.271 1.00 0.00 H +ATOM 163 HG21 ILE A 12 -16.277 6.020 11.816 1.00 0.00 H +ATOM 164 HG22 ILE A 12 -17.375 6.404 13.140 1.00 0.00 H +ATOM 165 HG23 ILE A 12 -17.395 7.305 11.675 1.00 0.00 H +ATOM 166 HD11 ILE A 12 -16.463 7.618 15.562 1.00 0.00 H +ATOM 167 HD12 ILE A 12 -16.256 5.880 15.331 1.00 0.00 H +ATOM 168 HD13 ILE A 12 -15.041 6.790 16.104 1.00 0.00 H +ATOM 169 N THR A 13 -16.312 9.817 10.507 1.00 0.00 N +ATOM 170 CA THR A 13 -17.061 10.292 9.346 1.00 0.00 C +ATOM 171 C THR A 13 -16.167 10.528 8.132 1.00 0.00 C +ATOM 172 O THR A 13 -16.602 10.258 6.984 1.00 0.00 O +ATOM 173 CB THR A 13 -17.994 11.465 9.710 1.00 0.00 C +ATOM 174 CG2 THR A 13 -19.011 11.808 8.606 1.00 0.00 C +ATOM 175 OG1 THR A 13 -18.768 11.197 10.858 1.00 0.00 O +ATOM 176 H THR A 13 -16.034 10.472 11.224 1.00 0.00 H +ATOM 177 HA THR A 13 -17.814 9.586 8.997 1.00 0.00 H +ATOM 178 HB THR A 13 -17.420 12.364 9.936 1.00 0.00 H +ATOM 179 HG1 THR A 13 -18.134 11.010 11.554 1.00 0.00 H +ATOM 180 HG21 THR A 13 -19.585 12.698 8.863 1.00 0.00 H +ATOM 181 HG22 THR A 13 -18.538 12.087 7.665 1.00 0.00 H +ATOM 182 HG23 THR A 13 -19.594 10.914 8.384 1.00 0.00 H +ATOM 183 N VAL A 14 -14.923 11.019 8.396 1.00 0.00 N +ATOM 184 CA VAL A 14 -13.897 11.079 7.386 1.00 0.00 C +ATOM 185 C VAL A 14 -13.452 9.679 6.937 1.00 0.00 C +ATOM 186 O VAL A 14 -13.392 9.497 5.720 1.00 0.00 O +ATOM 187 CB VAL A 14 -12.678 12.077 7.701 1.00 0.00 C +ATOM 188 CG1 VAL A 14 -11.400 11.694 6.922 1.00 0.00 C +ATOM 189 CG2 VAL A 14 -13.139 13.591 7.522 1.00 0.00 C +ATOM 190 H VAL A 14 -14.694 11.254 9.351 1.00 0.00 H +ATOM 191 HA VAL A 14 -14.385 11.472 6.494 1.00 0.00 H +ATOM 192 HB VAL A 14 -12.405 12.119 8.756 1.00 0.00 H +ATOM 193 HG11 VAL A 14 -11.648 11.472 5.884 1.00 0.00 H +ATOM 194 HG12 VAL A 14 -10.744 12.561 6.850 1.00 0.00 H +ATOM 195 HG13 VAL A 14 -10.830 10.917 7.431 1.00 0.00 H +ATOM 196 HG21 VAL A 14 -13.414 13.753 6.480 1.00 0.00 H +ATOM 197 HG22 VAL A 14 -14.038 13.869 8.072 1.00 0.00 H +ATOM 198 HG23 VAL A 14 -12.342 14.305 7.731 1.00 0.00 H +ATOM 199 N GLU A 15 -13.179 8.803 7.868 1.00 0.00 N +ATOM 200 CA GLU A 15 -12.728 7.423 7.516 1.00 0.00 C +ATOM 201 C GLU A 15 -13.785 6.679 6.667 1.00 0.00 C +ATOM 202 O GLU A 15 -13.510 6.006 5.664 1.00 0.00 O +ATOM 203 CB GLU A 15 -12.405 6.637 8.802 1.00 0.00 C +ATOM 204 CG GLU A 15 -11.151 6.949 9.611 1.00 0.00 C +ATOM 205 CD GLU A 15 -9.786 6.374 9.102 1.00 0.00 C +ATOM 206 OE1 GLU A 15 -9.052 5.825 9.963 1.00 0.00 O +ATOM 207 OE2 GLU A 15 -9.493 6.529 7.893 1.00 0.00 O +ATOM 208 H GLU A 15 -13.406 8.954 8.840 1.00 0.00 H +ATOM 209 HA GLU A 15 -11.760 7.430 7.015 1.00 0.00 H +ATOM 210 HB2 GLU A 15 -13.272 6.740 9.454 1.00 0.00 H +ATOM 211 HB3 GLU A 15 -12.196 5.608 8.511 1.00 0.00 H +ATOM 212 HG2 GLU A 15 -10.979 8.025 9.610 1.00 0.00 H +ATOM 213 HG3 GLU A 15 -11.329 6.581 10.622 1.00 0.00 H +ATOM 214 N LEU A 16 -15.044 6.823 7.110 1.00 0.00 N +ATOM 215 CA LEU A 16 -16.227 6.251 6.363 1.00 0.00 C +ATOM 216 C LEU A 16 -16.401 6.647 4.866 1.00 0.00 C +ATOM 217 O LEU A 16 -16.764 5.846 4.021 1.00 0.00 O +ATOM 218 CB LEU A 16 -17.532 6.457 7.107 1.00 0.00 C +ATOM 219 CG LEU A 16 -17.613 5.370 8.243 1.00 0.00 C +ATOM 220 CD1 LEU A 16 -18.680 5.750 9.190 1.00 0.00 C +ATOM 221 CD2 LEU A 16 -17.901 3.948 7.556 1.00 0.00 C +ATOM 222 H LEU A 16 -15.115 7.346 7.972 1.00 0.00 H +ATOM 223 HA LEU A 16 -15.932 5.209 6.241 1.00 0.00 H +ATOM 224 HB2 LEU A 16 -17.610 7.430 7.592 1.00 0.00 H +ATOM 225 HB3 LEU A 16 -18.413 6.341 6.476 1.00 0.00 H +ATOM 226 HG LEU A 16 -16.689 5.238 8.806 1.00 0.00 H +ATOM 227 HD11 LEU A 16 -19.164 6.713 9.028 1.00 0.00 H +ATOM 228 HD12 LEU A 16 -19.478 5.007 9.166 1.00 0.00 H +ATOM 229 HD13 LEU A 16 -18.371 5.579 10.221 1.00 0.00 H +ATOM 230 HD21 LEU A 16 -18.150 4.046 6.500 1.00 0.00 H +ATOM 231 HD22 LEU A 16 -16.998 3.370 7.758 1.00 0.00 H +ATOM 232 HD23 LEU A 16 -18.754 3.405 7.964 1.00 0.00 H +ATOM 233 N ALA A 17 -16.018 7.914 4.513 1.00 0.00 N +ATOM 234 CA ALA A 17 -15.995 8.564 3.159 1.00 0.00 C +ATOM 235 C ALA A 17 -14.695 8.147 2.411 1.00 0.00 C +ATOM 236 O ALA A 17 -14.713 8.097 1.195 1.00 0.00 O +ATOM 237 CB ALA A 17 -16.071 10.127 3.258 1.00 0.00 C +ATOM 238 H ALA A 17 -15.751 8.565 5.238 1.00 0.00 H +ATOM 239 HA ALA A 17 -16.792 8.274 2.474 1.00 0.00 H +ATOM 240 HB1 ALA A 17 -15.322 10.432 3.989 1.00 0.00 H +ATOM 241 HB2 ALA A 17 -15.855 10.591 2.296 1.00 0.00 H +ATOM 242 HB3 ALA A 17 -17.028 10.485 3.637 1.00 0.00 H +ATOM 243 N ILE A 18 -13.611 7.928 3.130 1.00 0.00 N +ATOM 244 CA ILE A 18 -12.401 7.266 2.540 1.00 0.00 C +ATOM 245 C ILE A 18 -12.708 5.905 1.996 1.00 0.00 C +ATOM 246 O ILE A 18 -12.318 5.667 0.846 1.00 0.00 O +ATOM 247 CB ILE A 18 -11.188 7.210 3.485 1.00 0.00 C +ATOM 248 CG1 ILE A 18 -10.629 8.611 3.890 1.00 0.00 C +ATOM 249 CG2 ILE A 18 -10.035 6.419 2.840 1.00 0.00 C +ATOM 250 CD1 ILE A 18 -9.866 8.643 5.195 1.00 0.00 C +ATOM 251 H ILE A 18 -13.591 8.096 4.126 1.00 0.00 H +ATOM 252 HA ILE A 18 -12.117 7.782 1.623 1.00 0.00 H +ATOM 253 HB ILE A 18 -11.435 6.570 4.332 1.00 0.00 H +ATOM 254 HG12 ILE A 18 -10.083 9.194 3.148 1.00 0.00 H +ATOM 255 HG13 ILE A 18 -11.500 9.217 4.142 1.00 0.00 H +ATOM 256 HG21 ILE A 18 -9.091 6.513 3.379 1.00 0.00 H +ATOM 257 HG22 ILE A 18 -10.308 5.370 2.733 1.00 0.00 H +ATOM 258 HG23 ILE A 18 -9.887 6.847 1.848 1.00 0.00 H +ATOM 259 HD11 ILE A 18 -10.363 9.221 5.974 1.00 0.00 H +ATOM 260 HD12 ILE A 18 -9.858 7.700 5.742 1.00 0.00 H +ATOM 261 HD13 ILE A 18 -8.833 8.927 4.996 1.00 0.00 H +ATOM 262 N ALA A 19 -13.329 5.085 2.844 1.00 0.00 N +ATOM 263 CA ALA A 19 -13.770 3.680 2.649 1.00 0.00 C +ATOM 264 C ALA A 19 -14.642 3.429 1.415 1.00 0.00 C +ATOM 265 O ALA A 19 -14.390 2.486 0.660 1.00 0.00 O +ATOM 266 CB ALA A 19 -14.388 3.013 3.856 1.00 0.00 C +ATOM 267 H ALA A 19 -13.556 5.455 3.756 1.00 0.00 H +ATOM 268 HA ALA A 19 -12.882 3.090 2.422 1.00 0.00 H +ATOM 269 HB1 ALA A 19 -13.774 3.330 4.699 1.00 0.00 H +ATOM 270 HB2 ALA A 19 -15.396 3.398 4.007 1.00 0.00 H +ATOM 271 HB3 ALA A 19 -14.298 1.927 3.822 1.00 0.00 H +ATOM 272 N VAL A 20 -15.590 4.398 1.119 1.00 0.00 N +ATOM 273 CA VAL A 20 -16.355 4.420 -0.149 1.00 0.00 C +ATOM 274 C VAL A 20 -15.435 4.419 -1.393 1.00 0.00 C +ATOM 275 O VAL A 20 -15.507 3.483 -2.241 1.00 0.00 O +ATOM 276 CB VAL A 20 -17.363 5.569 -0.283 1.00 0.00 C +ATOM 277 CG1 VAL A 20 -18.071 5.632 -1.678 1.00 0.00 C +ATOM 278 CG2 VAL A 20 -18.452 5.399 0.786 1.00 0.00 C +ATOM 279 H VAL A 20 -15.594 5.150 1.793 1.00 0.00 H +ATOM 280 HA VAL A 20 -16.970 3.520 -0.148 1.00 0.00 H +ATOM 281 HB VAL A 20 -16.792 6.485 -0.135 1.00 0.00 H +ATOM 282 HG11 VAL A 20 -18.766 6.468 -1.759 1.00 0.00 H +ATOM 283 HG12 VAL A 20 -17.332 5.900 -2.433 1.00 0.00 H +ATOM 284 HG13 VAL A 20 -18.545 4.659 -1.805 1.00 0.00 H +ATOM 285 HG21 VAL A 20 -18.985 6.346 0.862 1.00 0.00 H +ATOM 286 HG22 VAL A 20 -19.073 4.504 0.734 1.00 0.00 H +ATOM 287 HG23 VAL A 20 -17.938 5.326 1.744 1.00 0.00 H +ATOM 288 N LEU A 21 -14.517 5.357 -1.418 1.00 0.00 N +ATOM 289 CA LEU A 21 -13.800 5.707 -2.639 1.00 0.00 C +ATOM 290 C LEU A 21 -12.645 4.736 -2.812 1.00 0.00 C +ATOM 291 O LEU A 21 -12.261 4.337 -3.903 1.00 0.00 O +ATOM 292 CB LEU A 21 -13.245 7.197 -2.453 1.00 0.00 C +ATOM 293 CG LEU A 21 -14.191 8.371 -2.228 1.00 0.00 C +ATOM 294 CD1 LEU A 21 -13.341 9.622 -1.914 1.00 0.00 C +ATOM 295 CD2 LEU A 21 -15.353 8.502 -3.201 1.00 0.00 C +ATOM 296 H LEU A 21 -14.286 5.854 -0.570 1.00 0.00 H +ATOM 297 HA LEU A 21 -14.462 5.669 -3.504 1.00 0.00 H +ATOM 298 HB2 LEU A 21 -12.522 7.089 -1.644 1.00 0.00 H +ATOM 299 HB3 LEU A 21 -12.709 7.463 -3.365 1.00 0.00 H +ATOM 300 HG LEU A 21 -14.650 8.230 -1.250 1.00 0.00 H +ATOM 301 HD11 LEU A 21 -13.132 10.051 -2.895 1.00 0.00 H +ATOM 302 HD12 LEU A 21 -13.941 10.357 -1.377 1.00 0.00 H +ATOM 303 HD13 LEU A 21 -12.386 9.425 -1.426 1.00 0.00 H +ATOM 304 HD21 LEU A 21 -15.270 7.851 -4.072 1.00 0.00 H +ATOM 305 HD22 LEU A 21 -16.265 8.190 -2.692 1.00 0.00 H +ATOM 306 HD23 LEU A 21 -15.560 9.531 -3.495 1.00 0.00 H +ATOM 307 N ALA A 22 -11.968 4.300 -1.722 1.00 0.00 N +ATOM 308 CA ALA A 22 -10.909 3.311 -1.733 1.00 0.00 C +ATOM 309 C ALA A 22 -11.476 1.865 -2.113 1.00 0.00 C +ATOM 310 O ALA A 22 -10.784 1.135 -2.822 1.00 0.00 O +ATOM 311 CB ALA A 22 -10.281 3.253 -0.353 1.00 0.00 C +ATOM 312 H ALA A 22 -12.246 4.827 -0.907 1.00 0.00 H +ATOM 313 HA ALA A 22 -10.148 3.538 -2.480 1.00 0.00 H +ATOM 314 HB1 ALA A 22 -10.994 3.134 0.463 1.00 0.00 H +ATOM 315 HB2 ALA A 22 -9.555 2.443 -0.271 1.00 0.00 H +ATOM 316 HB3 ALA A 22 -9.765 4.145 0.000 1.00 0.00 H +ATOM 317 N ILE A 23 -12.776 1.562 -1.940 1.00 0.00 N +ATOM 318 CA ILE A 23 -13.458 0.390 -2.614 1.00 0.00 C +ATOM 319 C ILE A 23 -13.846 0.789 -4.090 1.00 0.00 C +ATOM 320 O ILE A 23 -13.390 0.142 -5.041 1.00 0.00 O +ATOM 321 CB ILE A 23 -14.821 0.013 -1.866 1.00 0.00 C +ATOM 322 CG1 ILE A 23 -14.524 -0.524 -0.448 1.00 0.00 C +ATOM 323 CG2 ILE A 23 -15.604 -1.112 -2.588 1.00 0.00 C +ATOM 324 CD1 ILE A 23 -15.815 -0.503 0.340 1.00 0.00 C +ATOM 325 H ILE A 23 -13.440 2.151 -1.457 1.00 0.00 H +ATOM 326 HA ILE A 23 -12.699 -0.391 -2.644 1.00 0.00 H +ATOM 327 HB ILE A 23 -15.563 0.810 -1.925 1.00 0.00 H +ATOM 328 HG12 ILE A 23 -14.189 -1.560 -0.507 1.00 0.00 H +ATOM 329 HG13 ILE A 23 -13.658 -0.011 -0.030 1.00 0.00 H +ATOM 330 HG21 ILE A 23 -16.412 -1.606 -2.048 1.00 0.00 H +ATOM 331 HG22 ILE A 23 -16.125 -0.689 -3.448 1.00 0.00 H +ATOM 332 HG23 ILE A 23 -14.947 -1.942 -2.843 1.00 0.00 H +ATOM 333 HD11 ILE A 23 -16.270 -1.491 0.414 1.00 0.00 H +ATOM 334 HD12 ILE A 23 -15.560 -0.330 1.385 1.00 0.00 H +ATOM 335 HD13 ILE A 23 -16.685 0.074 0.026 1.00 0.00 H +ATOM 336 N LEU A 24 -14.507 1.917 -4.257 1.00 0.00 N +ATOM 337 CA LEU A 24 -15.223 2.277 -5.549 1.00 0.00 C +ATOM 338 C LEU A 24 -14.309 2.388 -6.754 1.00 0.00 C +ATOM 339 O LEU A 24 -14.479 1.669 -7.716 1.00 0.00 O +ATOM 340 CB LEU A 24 -16.202 3.560 -5.246 1.00 0.00 C +ATOM 341 CG LEU A 24 -16.754 4.349 -6.391 1.00 0.00 C +ATOM 342 CD1 LEU A 24 -17.433 3.441 -7.404 1.00 0.00 C +ATOM 343 CD2 LEU A 24 -17.568 5.574 -5.957 1.00 0.00 C +ATOM 344 H LEU A 24 -14.587 2.526 -3.455 1.00 0.00 H +ATOM 345 HA LEU A 24 -15.939 1.476 -5.735 1.00 0.00 H +ATOM 346 HB2 LEU A 24 -17.027 3.101 -4.701 1.00 0.00 H +ATOM 347 HB3 LEU A 24 -15.727 4.299 -4.602 1.00 0.00 H +ATOM 348 HG LEU A 24 -15.910 4.775 -6.932 1.00 0.00 H +ATOM 349 HD11 LEU A 24 -18.434 3.764 -7.690 1.00 0.00 H +ATOM 350 HD12 LEU A 24 -16.884 3.247 -8.325 1.00 0.00 H +ATOM 351 HD13 LEU A 24 -17.628 2.465 -6.961 1.00 0.00 H +ATOM 352 HD21 LEU A 24 -17.610 5.533 -4.869 1.00 0.00 H +ATOM 353 HD22 LEU A 24 -16.956 6.463 -6.112 1.00 0.00 H +ATOM 354 HD23 LEU A 24 -18.541 5.559 -6.449 1.00 0.00 H +ATOM 355 N GLY A 25 -13.268 3.192 -6.611 1.00 0.00 N +ATOM 356 CA GLY A 25 -12.370 3.440 -7.740 1.00 0.00 C +ATOM 357 C GLY A 25 -11.550 2.143 -8.065 1.00 0.00 C +ATOM 358 O GLY A 25 -11.208 1.952 -9.273 1.00 0.00 O +ATOM 359 H GLY A 25 -13.050 3.594 -5.710 1.00 0.00 H +ATOM 360 HA2 GLY A 25 -13.012 3.716 -8.577 1.00 0.00 H +ATOM 361 HA3 GLY A 25 -11.660 4.253 -7.588 1.00 0.00 H +ATOM 362 N ASN A 26 -11.338 1.308 -7.081 1.00 0.00 N +ATOM 363 CA ASN A 26 -10.514 0.079 -7.126 1.00 0.00 C +ATOM 364 C ASN A 26 -11.324 -1.038 -7.661 1.00 0.00 C +ATOM 365 O ASN A 26 -10.730 -1.798 -8.354 1.00 0.00 O +ATOM 366 CB ASN A 26 -9.841 -0.183 -5.820 1.00 0.00 C +ATOM 367 CG ASN A 26 -8.667 0.817 -5.633 1.00 0.00 C +ATOM 368 ND2 ASN A 26 -8.823 1.544 -4.547 1.00 0.00 N +ATOM 369 OD1 ASN A 26 -7.789 0.960 -6.474 1.00 0.00 O +ATOM 370 H ASN A 26 -11.983 1.449 -6.316 1.00 0.00 H +ATOM 371 HA ASN A 26 -9.710 0.288 -7.831 1.00 0.00 H +ATOM 372 HB2 ASN A 26 -10.564 -0.281 -5.009 1.00 0.00 H +ATOM 373 HB3 ASN A 26 -9.250 -1.099 -5.850 1.00 0.00 H +ATOM 374 HD21 ASN A 26 -9.531 1.317 -3.864 1.00 0.00 H +ATOM 375 HD22 ASN A 26 -8.220 2.354 -4.536 1.00 0.00 H +ATOM 376 N VAL A 27 -12.693 -1.116 -7.457 1.00 0.00 N +ATOM 377 CA VAL A 27 -13.563 -2.051 -8.165 1.00 0.00 C +ATOM 378 C VAL A 27 -13.553 -1.707 -9.613 1.00 0.00 C +ATOM 379 O VAL A 27 -13.449 -2.587 -10.457 1.00 0.00 O +ATOM 380 CB VAL A 27 -14.932 -2.089 -7.517 1.00 0.00 C +ATOM 381 CG1 VAL A 27 -16.007 -2.671 -8.415 1.00 0.00 C +ATOM 382 CG2 VAL A 27 -14.786 -2.890 -6.196 1.00 0.00 C +ATOM 383 H VAL A 27 -13.224 -0.496 -6.862 1.00 0.00 H +ATOM 384 HA VAL A 27 -13.297 -3.108 -8.140 1.00 0.00 H +ATOM 385 HB VAL A 27 -15.218 -1.085 -7.203 1.00 0.00 H +ATOM 386 HG11 VAL A 27 -16.095 -2.060 -9.313 1.00 0.00 H +ATOM 387 HG12 VAL A 27 -16.044 -3.755 -8.520 1.00 0.00 H +ATOM 388 HG13 VAL A 27 -16.976 -2.475 -7.956 1.00 0.00 H +ATOM 389 HG21 VAL A 27 -15.775 -3.018 -5.754 1.00 0.00 H +ATOM 390 HG22 VAL A 27 -14.379 -3.895 -6.311 1.00 0.00 H +ATOM 391 HG23 VAL A 27 -14.149 -2.269 -5.566 1.00 0.00 H +ATOM 392 N LEU A 28 -13.595 -0.381 -9.966 1.00 0.00 N +ATOM 393 CA LEU A 28 -13.490 0.191 -11.291 1.00 0.00 C +ATOM 394 C LEU A 28 -12.169 -0.184 -12.019 1.00 0.00 C +ATOM 395 O LEU A 28 -12.308 -0.832 -13.039 1.00 0.00 O +ATOM 396 CB LEU A 28 -13.930 1.684 -11.254 1.00 0.00 C +ATOM 397 CG LEU A 28 -13.809 2.523 -12.535 1.00 0.00 C +ATOM 398 CD1 LEU A 28 -14.828 2.040 -13.548 1.00 0.00 C +ATOM 399 CD2 LEU A 28 -14.191 3.974 -12.249 1.00 0.00 C +ATOM 400 H LEU A 28 -13.378 0.235 -9.196 1.00 0.00 H +ATOM 401 HA LEU A 28 -14.238 -0.289 -11.922 1.00 0.00 H +ATOM 402 HB2 LEU A 28 -15.002 1.784 -11.082 1.00 0.00 H +ATOM 403 HB3 LEU A 28 -13.384 2.165 -10.441 1.00 0.00 H +ATOM 404 HG LEU A 28 -12.802 2.477 -12.949 1.00 0.00 H +ATOM 405 HD11 LEU A 28 -14.262 1.566 -14.350 1.00 0.00 H +ATOM 406 HD12 LEU A 28 -15.550 1.339 -13.127 1.00 0.00 H +ATOM 407 HD13 LEU A 28 -15.408 2.751 -14.137 1.00 0.00 H +ATOM 408 HD21 LEU A 28 -15.265 4.012 -12.071 1.00 0.00 H +ATOM 409 HD22 LEU A 28 -13.601 4.210 -11.363 1.00 0.00 H +ATOM 410 HD23 LEU A 28 -13.897 4.551 -13.126 1.00 0.00 H +ATOM 411 N VAL A 29 -10.993 0.126 -11.496 1.00 0.00 N +ATOM 412 CA VAL A 29 -9.655 -0.314 -12.116 1.00 0.00 C +ATOM 413 C VAL A 29 -9.512 -1.809 -12.382 1.00 0.00 C +ATOM 414 O VAL A 29 -8.982 -2.113 -13.418 1.00 0.00 O +ATOM 415 CB VAL A 29 -8.456 0.264 -11.263 1.00 0.00 C +ATOM 416 CG1 VAL A 29 -7.021 -0.241 -11.701 1.00 0.00 C +ATOM 417 CG2 VAL A 29 -8.511 1.741 -11.182 1.00 0.00 C +ATOM 418 H VAL A 29 -10.828 0.831 -10.792 1.00 0.00 H +ATOM 419 HA VAL A 29 -9.553 0.164 -13.090 1.00 0.00 H +ATOM 420 HB VAL A 29 -8.630 -0.028 -10.227 1.00 0.00 H +ATOM 421 HG11 VAL A 29 -6.762 -0.095 -12.750 1.00 0.00 H +ATOM 422 HG12 VAL A 29 -6.292 0.274 -11.076 1.00 0.00 H +ATOM 423 HG13 VAL A 29 -6.829 -1.254 -11.346 1.00 0.00 H +ATOM 424 HG21 VAL A 29 -8.028 2.244 -12.020 1.00 0.00 H +ATOM 425 HG22 VAL A 29 -9.476 2.245 -11.138 1.00 0.00 H +ATOM 426 HG23 VAL A 29 -7.884 2.114 -10.372 1.00 0.00 H +ATOM 427 N CYS A 30 -9.973 -2.654 -11.454 1.00 0.00 N +ATOM 428 CA CYS A 30 -10.024 -4.167 -11.639 1.00 0.00 C +ATOM 429 C CYS A 30 -10.988 -4.586 -12.734 1.00 0.00 C +ATOM 430 O CYS A 30 -10.498 -5.308 -13.589 1.00 0.00 O +ATOM 431 CB CYS A 30 -10.444 -4.850 -10.317 1.00 0.00 C +ATOM 432 SG CYS A 30 -9.255 -4.548 -8.964 1.00 0.00 S +ATOM 433 H CYS A 30 -10.241 -2.230 -10.578 1.00 0.00 H +ATOM 434 HA CYS A 30 -8.971 -4.389 -11.815 1.00 0.00 H +ATOM 435 HB2 CYS A 30 -11.434 -4.542 -9.981 1.00 0.00 H +ATOM 436 HB3 CYS A 30 -10.473 -5.939 -10.348 1.00 0.00 H +ATOM 437 HG CYS A 30 -10.042 -3.624 -8.405 1.00 0.00 H +ATOM 438 N TRP A 31 -12.293 -4.262 -12.621 1.00 0.00 N +ATOM 439 CA TRP A 31 -13.261 -4.414 -13.685 1.00 0.00 C +ATOM 440 C TRP A 31 -12.806 -3.873 -15.093 1.00 0.00 C +ATOM 441 O TRP A 31 -12.747 -4.732 -15.991 1.00 0.00 O +ATOM 442 CB TRP A 31 -14.655 -3.895 -13.270 1.00 0.00 C +ATOM 443 CG TRP A 31 -15.847 -4.195 -14.137 1.00 0.00 C +ATOM 444 CD1 TRP A 31 -16.078 -5.319 -14.894 1.00 0.00 C +ATOM 445 CD2 TRP A 31 -17.167 -3.470 -14.144 1.00 0.00 C +ATOM 446 CE2 TRP A 31 -18.025 -4.110 -15.129 1.00 0.00 C +ATOM 447 CE3 TRP A 31 -17.606 -2.366 -13.476 1.00 0.00 C +ATOM 448 NE1 TRP A 31 -17.361 -5.237 -15.495 1.00 0.00 N +ATOM 449 CZ2 TRP A 31 -19.260 -3.622 -15.353 1.00 0.00 C +ATOM 450 CZ3 TRP A 31 -18.904 -1.842 -13.705 1.00 0.00 C +ATOM 451 CH2 TRP A 31 -19.748 -2.494 -14.631 1.00 0.00 C +ATOM 452 H TRP A 31 -12.659 -3.700 -11.866 1.00 0.00 H +ATOM 453 HA TRP A 31 -13.269 -5.483 -13.893 1.00 0.00 H +ATOM 454 HB2 TRP A 31 -14.907 -4.432 -12.355 1.00 0.00 H +ATOM 455 HB3 TRP A 31 -14.708 -2.831 -13.038 1.00 0.00 H +ATOM 456 HD1 TRP A 31 -15.369 -6.129 -14.977 1.00 0.00 H +ATOM 457 HE1 TRP A 31 -17.736 -6.023 -16.006 1.00 0.00 H +ATOM 458 HE3 TRP A 31 -16.862 -2.012 -12.777 1.00 0.00 H +ATOM 459 HZ2 TRP A 31 -19.917 -4.166 -16.015 1.00 0.00 H +ATOM 460 HZ3 TRP A 31 -19.225 -0.930 -13.225 1.00 0.00 H +ATOM 461 HH2 TRP A 31 -20.733 -2.091 -14.818 1.00 0.00 H +ATOM 462 N ALA A 32 -12.387 -2.625 -15.176 1.00 0.00 N +ATOM 463 CA ALA A 32 -11.802 -2.040 -16.358 1.00 0.00 C +ATOM 464 C ALA A 32 -10.655 -2.878 -17.055 1.00 0.00 C +ATOM 465 O ALA A 32 -10.728 -3.110 -18.245 1.00 0.00 O +ATOM 466 CB ALA A 32 -11.248 -0.615 -16.034 1.00 0.00 C +ATOM 467 H ALA A 32 -12.285 -2.186 -14.272 1.00 0.00 H +ATOM 468 HA ALA A 32 -12.659 -2.013 -17.032 1.00 0.00 H +ATOM 469 HB1 ALA A 32 -10.969 0.022 -16.873 1.00 0.00 H +ATOM 470 HB2 ALA A 32 -12.050 -0.156 -15.455 1.00 0.00 H +ATOM 471 HB3 ALA A 32 -10.406 -0.550 -15.344 1.00 0.00 H +ATOM 472 N VAL A 33 -9.689 -3.418 -16.304 1.00 0.00 N +ATOM 473 CA VAL A 33 -8.662 -4.338 -16.868 1.00 0.00 C +ATOM 474 C VAL A 33 -9.278 -5.715 -17.160 1.00 0.00 C +ATOM 475 O VAL A 33 -8.772 -6.439 -18.032 1.00 0.00 O +ATOM 476 CB VAL A 33 -7.560 -4.567 -15.815 1.00 0.00 C +ATOM 477 CG1 VAL A 33 -6.511 -5.607 -16.286 1.00 0.00 C +ATOM 478 CG2 VAL A 33 -6.801 -3.257 -15.657 1.00 0.00 C +ATOM 479 H VAL A 33 -9.684 -3.411 -15.294 1.00 0.00 H +ATOM 480 HA VAL A 33 -8.212 -3.997 -17.800 1.00 0.00 H +ATOM 481 HB VAL A 33 -8.052 -4.691 -14.851 1.00 0.00 H +ATOM 482 HG11 VAL A 33 -6.829 -6.647 -16.214 1.00 0.00 H +ATOM 483 HG12 VAL A 33 -6.241 -5.425 -17.327 1.00 0.00 H +ATOM 484 HG13 VAL A 33 -5.644 -5.552 -15.628 1.00 0.00 H +ATOM 485 HG21 VAL A 33 -5.898 -3.085 -16.243 1.00 0.00 H +ATOM 486 HG22 VAL A 33 -7.373 -2.343 -15.815 1.00 0.00 H +ATOM 487 HG23 VAL A 33 -6.526 -3.104 -14.613 1.00 0.00 H +ATOM 488 N TRP A 34 -10.350 -6.188 -16.443 1.00 0.00 N +ATOM 489 CA TRP A 34 -11.055 -7.488 -16.710 1.00 0.00 C +ATOM 490 C TRP A 34 -11.722 -7.399 -18.101 1.00 0.00 C +ATOM 491 O TRP A 34 -11.624 -8.345 -18.883 1.00 0.00 O +ATOM 492 CB TRP A 34 -12.010 -7.945 -15.552 1.00 0.00 C +ATOM 493 CG TRP A 34 -12.943 -9.085 -15.849 1.00 0.00 C +ATOM 494 CD1 TRP A 34 -14.298 -9.018 -16.035 1.00 0.00 C +ATOM 495 CD2 TRP A 34 -12.630 -10.469 -15.851 1.00 0.00 C +ATOM 496 CE2 TRP A 34 -13.784 -11.226 -16.087 1.00 0.00 C +ATOM 497 CE3 TRP A 34 -11.533 -11.238 -15.565 1.00 0.00 C +ATOM 498 NE1 TRP A 34 -14.808 -10.279 -16.251 1.00 0.00 N +ATOM 499 CZ2 TRP A 34 -13.830 -12.622 -16.098 1.00 0.00 C +ATOM 500 CZ3 TRP A 34 -11.510 -12.631 -15.463 1.00 0.00 C +ATOM 501 CH2 TRP A 34 -12.655 -13.397 -15.829 1.00 0.00 C +ATOM 502 H TRP A 34 -10.849 -5.666 -15.737 1.00 0.00 H +ATOM 503 HA TRP A 34 -10.300 -8.273 -16.745 1.00 0.00 H +ATOM 504 HB2 TRP A 34 -11.412 -8.254 -14.694 1.00 0.00 H +ATOM 505 HB3 TRP A 34 -12.624 -7.126 -15.178 1.00 0.00 H +ATOM 506 HD1 TRP A 34 -14.821 -8.076 -16.099 1.00 0.00 H +ATOM 507 HE1 TRP A 34 -15.784 -10.433 -16.461 1.00 0.00 H +ATOM 508 HE3 TRP A 34 -10.651 -10.671 -15.305 1.00 0.00 H +ATOM 509 HZ2 TRP A 34 -14.697 -13.191 -16.401 1.00 0.00 H +ATOM 510 HZ3 TRP A 34 -10.570 -13.133 -15.289 1.00 0.00 H +ATOM 511 HH2 TRP A 34 -12.691 -14.465 -15.983 1.00 0.00 H +ATOM 512 N LEU A 35 -12.292 -6.221 -18.420 1.00 0.00 N +ATOM 513 CA LEU A 35 -13.008 -5.825 -19.612 1.00 0.00 C +ATOM 514 C LEU A 35 -12.008 -5.631 -20.751 1.00 0.00 C +ATOM 515 O LEU A 35 -12.029 -6.378 -21.723 1.00 0.00 O +ATOM 516 CB LEU A 35 -13.849 -4.599 -19.341 1.00 0.00 C +ATOM 517 CG LEU A 35 -15.121 -4.739 -18.417 1.00 0.00 C +ATOM 518 CD1 LEU A 35 -15.605 -3.305 -18.053 1.00 0.00 C +ATOM 519 CD2 LEU A 35 -16.214 -5.743 -19.017 1.00 0.00 C +ATOM 520 H LEU A 35 -12.403 -5.609 -17.624 1.00 0.00 H +ATOM 521 HA LEU A 35 -13.737 -6.595 -19.866 1.00 0.00 H +ATOM 522 HB2 LEU A 35 -13.157 -3.836 -18.984 1.00 0.00 H +ATOM 523 HB3 LEU A 35 -14.216 -4.282 -20.316 1.00 0.00 H +ATOM 524 HG LEU A 35 -14.794 -5.228 -17.499 1.00 0.00 H +ATOM 525 HD11 LEU A 35 -15.028 -2.560 -18.601 1.00 0.00 H +ATOM 526 HD12 LEU A 35 -16.660 -3.363 -18.320 1.00 0.00 H +ATOM 527 HD13 LEU A 35 -15.534 -3.008 -17.007 1.00 0.00 H +ATOM 528 HD21 LEU A 35 -15.841 -6.442 -19.766 1.00 0.00 H +ATOM 529 HD22 LEU A 35 -16.556 -6.374 -18.197 1.00 0.00 H +ATOM 530 HD23 LEU A 35 -17.118 -5.216 -19.323 1.00 0.00 H +ATOM 531 N ASN A 36 -11.133 -4.622 -20.677 1.00 0.00 N +ATOM 532 CA ASN A 36 -10.243 -4.219 -21.788 1.00 0.00 C +ATOM 533 C ASN A 36 -8.946 -5.005 -21.872 1.00 0.00 C +ATOM 534 O ASN A 36 -8.071 -4.883 -21.020 1.00 0.00 O +ATOM 535 CB ASN A 36 -9.893 -2.740 -21.712 1.00 0.00 C +ATOM 536 CG ASN A 36 -9.362 -2.075 -22.917 1.00 0.00 C +ATOM 537 ND2 ASN A 36 -9.619 -0.754 -22.989 1.00 0.00 N +ATOM 538 OD1 ASN A 36 -8.798 -2.709 -23.833 1.00 0.00 O +ATOM 539 H ASN A 36 -11.066 -4.049 -19.848 1.00 0.00 H +ATOM 540 HA ASN A 36 -10.806 -4.380 -22.707 1.00 0.00 H +ATOM 541 HB2 ASN A 36 -10.779 -2.177 -21.420 1.00 0.00 H +ATOM 542 HB3 ASN A 36 -9.198 -2.605 -20.883 1.00 0.00 H +ATOM 543 HD21 ASN A 36 -10.270 -0.408 -22.298 1.00 0.00 H +ATOM 544 HD22 ASN A 36 -9.388 -0.179 -23.786 1.00 0.00 H +ATOM 545 N SER A 37 -8.747 -5.780 -22.951 1.00 0.00 N +ATOM 546 CA SER A 37 -7.480 -6.497 -23.380 1.00 0.00 C +ATOM 547 C SER A 37 -6.293 -5.653 -23.719 1.00 0.00 C +ATOM 548 O SER A 37 -5.202 -6.102 -23.542 1.00 0.00 O +ATOM 549 CB SER A 37 -7.894 -7.413 -24.483 1.00 0.00 C +ATOM 550 OG SER A 37 -8.515 -6.613 -25.427 1.00 0.00 O +ATOM 551 H SER A 37 -9.422 -5.851 -23.699 1.00 0.00 H +ATOM 552 HA SER A 37 -7.168 -7.101 -22.528 1.00 0.00 H +ATOM 553 HB2 SER A 37 -7.005 -7.671 -25.058 1.00 0.00 H +ATOM 554 HB3 SER A 37 -8.536 -8.252 -24.213 1.00 0.00 H +ATOM 555 HG SER A 37 -7.904 -6.464 -26.152 1.00 0.00 H +ATOM 556 N ASN A 38 -6.511 -4.413 -24.110 1.00 0.00 N +ATOM 557 CA ASN A 38 -5.437 -3.466 -24.364 1.00 0.00 C +ATOM 558 C ASN A 38 -4.788 -3.100 -22.994 1.00 0.00 C +ATOM 559 O ASN A 38 -3.599 -2.805 -22.997 1.00 0.00 O +ATOM 560 CB ASN A 38 -5.933 -2.111 -25.025 1.00 0.00 C +ATOM 561 CG ASN A 38 -6.548 -2.361 -26.393 1.00 0.00 C +ATOM 562 ND2 ASN A 38 -7.649 -1.640 -26.662 1.00 0.00 N +ATOM 563 OD1 ASN A 38 -6.082 -3.175 -27.155 1.00 0.00 O +ATOM 564 H ASN A 38 -7.415 -3.987 -24.261 1.00 0.00 H +ATOM 565 HA ASN A 38 -4.625 -3.897 -24.949 1.00 0.00 H +ATOM 566 HB2 ASN A 38 -6.564 -1.609 -24.291 1.00 0.00 H +ATOM 567 HB3 ASN A 38 -5.075 -1.459 -25.187 1.00 0.00 H +ATOM 568 HD21 ASN A 38 -7.855 -0.781 -26.172 1.00 0.00 H +ATOM 569 HD22 ASN A 38 -8.206 -1.836 -27.481 1.00 0.00 H +ATOM 570 N LEU A 39 -5.473 -3.017 -21.878 1.00 0.00 N +ATOM 571 CA LEU A 39 -4.904 -2.747 -20.573 1.00 0.00 C +ATOM 572 C LEU A 39 -4.096 -4.011 -20.100 1.00 0.00 C +ATOM 573 O LEU A 39 -3.064 -3.792 -19.447 1.00 0.00 O +ATOM 574 CB LEU A 39 -5.939 -2.235 -19.548 1.00 0.00 C +ATOM 575 CG LEU A 39 -6.637 -0.861 -19.902 1.00 0.00 C +ATOM 576 CD1 LEU A 39 -7.842 -0.575 -19.017 1.00 0.00 C +ATOM 577 CD2 LEU A 39 -5.556 0.276 -20.044 1.00 0.00 C +ATOM 578 H LEU A 39 -6.453 -3.235 -21.764 1.00 0.00 H +ATOM 579 HA LEU A 39 -4.161 -1.955 -20.668 1.00 0.00 H +ATOM 580 HB2 LEU A 39 -6.652 -3.024 -19.311 1.00 0.00 H +ATOM 581 HB3 LEU A 39 -5.518 -2.004 -18.570 1.00 0.00 H +ATOM 582 HG LEU A 39 -7.107 -1.099 -20.857 1.00 0.00 H +ATOM 583 HD11 LEU A 39 -8.732 -0.716 -19.631 1.00 0.00 H +ATOM 584 HD12 LEU A 39 -7.917 -1.339 -18.243 1.00 0.00 H +ATOM 585 HD13 LEU A 39 -7.819 0.418 -18.568 1.00 0.00 H +ATOM 586 HD21 LEU A 39 -5.773 0.979 -19.239 1.00 0.00 H +ATOM 587 HD22 LEU A 39 -4.531 -0.033 -19.839 1.00 0.00 H +ATOM 588 HD23 LEU A 39 -5.574 0.747 -21.027 1.00 0.00 H +ATOM 589 N GLN A 40 -4.485 -5.274 -20.412 1.00 0.00 N +ATOM 590 CA GLN A 40 -3.882 -6.429 -19.948 1.00 0.00 C +ATOM 591 C GLN A 40 -2.428 -6.671 -20.479 1.00 0.00 C +ATOM 592 O GLN A 40 -2.351 -6.802 -21.699 1.00 0.00 O +ATOM 593 CB GLN A 40 -4.813 -7.587 -20.424 1.00 0.00 C +ATOM 594 CG GLN A 40 -6.138 -7.652 -19.649 1.00 0.00 C +ATOM 595 CD GLN A 40 -7.150 -8.671 -20.221 1.00 0.00 C +ATOM 596 NE2 GLN A 40 -8.417 -8.400 -20.033 1.00 0.00 N +ATOM 597 OE1 GLN A 40 -6.731 -9.652 -20.928 1.00 0.00 O +ATOM 598 H GLN A 40 -5.229 -5.477 -21.065 1.00 0.00 H +ATOM 599 HA GLN A 40 -3.955 -6.456 -18.860 1.00 0.00 H +ATOM 600 HB2 GLN A 40 -4.959 -7.578 -21.504 1.00 0.00 H +ATOM 601 HB3 GLN A 40 -4.223 -8.488 -20.259 1.00 0.00 H +ATOM 602 HG2 GLN A 40 -5.897 -8.062 -18.668 1.00 0.00 H +ATOM 603 HG3 GLN A 40 -6.644 -6.696 -19.513 1.00 0.00 H +ATOM 604 HE21 GLN A 40 -8.736 -7.646 -19.442 1.00 0.00 H +ATOM 605 HE22 GLN A 40 -8.988 -8.876 -20.717 1.00 0.00 H +ATOM 606 N ASN A 41 -1.436 -6.565 -19.630 1.00 0.00 N +ATOM 607 CA ASN A 41 -0.092 -7.072 -19.926 1.00 0.00 C +ATOM 608 C ASN A 41 0.392 -7.539 -18.502 1.00 0.00 C +ATOM 609 O ASN A 41 -0.200 -7.343 -17.418 1.00 0.00 O +ATOM 610 CB ASN A 41 0.687 -5.880 -20.520 1.00 0.00 C +ATOM 611 CG ASN A 41 0.997 -4.649 -19.652 1.00 0.00 C +ATOM 612 ND2 ASN A 41 1.679 -3.684 -20.249 1.00 0.00 N +ATOM 613 OD1 ASN A 41 0.764 -4.525 -18.442 1.00 0.00 O +ATOM 614 H ASN A 41 -1.694 -6.517 -18.655 1.00 0.00 H +ATOM 615 HA ASN A 41 -0.071 -7.941 -20.583 1.00 0.00 H +ATOM 616 HB2 ASN A 41 1.635 -6.239 -20.922 1.00 0.00 H +ATOM 617 HB3 ASN A 41 0.054 -5.512 -21.328 1.00 0.00 H +ATOM 618 HD21 ASN A 41 2.057 -3.795 -21.179 1.00 0.00 H +ATOM 619 HD22 ASN A 41 2.016 -2.872 -19.752 1.00 0.00 H +ATOM 620 N VAL A 42 1.527 -8.191 -18.548 1.00 0.00 N +ATOM 621 CA VAL A 42 2.101 -8.777 -17.318 1.00 0.00 C +ATOM 622 C VAL A 42 2.527 -7.740 -16.242 1.00 0.00 C +ATOM 623 O VAL A 42 2.333 -8.082 -15.056 1.00 0.00 O +ATOM 624 CB VAL A 42 3.296 -9.705 -17.645 1.00 0.00 C +ATOM 625 CG1 VAL A 42 3.809 -10.560 -16.534 1.00 0.00 C +ATOM 626 CG2 VAL A 42 2.857 -10.599 -18.716 1.00 0.00 C +ATOM 627 H VAL A 42 2.091 -8.141 -19.385 1.00 0.00 H +ATOM 628 HA VAL A 42 1.365 -9.374 -16.780 1.00 0.00 H +ATOM 629 HB VAL A 42 4.131 -9.133 -18.048 1.00 0.00 H +ATOM 630 HG11 VAL A 42 2.976 -10.921 -15.930 1.00 0.00 H +ATOM 631 HG12 VAL A 42 4.287 -11.527 -16.687 1.00 0.00 H +ATOM 632 HG13 VAL A 42 4.356 -9.976 -15.794 1.00 0.00 H +ATOM 633 HG21 VAL A 42 3.593 -11.338 -19.031 1.00 0.00 H +ATOM 634 HG22 VAL A 42 1.912 -11.089 -18.480 1.00 0.00 H +ATOM 635 HG23 VAL A 42 2.617 -10.063 -19.634 1.00 0.00 H +ATOM 636 N THR A 43 2.992 -6.546 -16.642 1.00 0.00 N +ATOM 637 CA THR A 43 3.299 -5.468 -15.730 1.00 0.00 C +ATOM 638 C THR A 43 2.142 -4.948 -14.893 1.00 0.00 C +ATOM 639 O THR A 43 2.369 -4.634 -13.779 1.00 0.00 O +ATOM 640 CB THR A 43 3.834 -4.252 -16.618 1.00 0.00 C +ATOM 641 CG2 THR A 43 4.526 -3.211 -15.684 1.00 0.00 C +ATOM 642 OG1 THR A 43 4.689 -4.833 -17.611 1.00 0.00 O +ATOM 643 H THR A 43 3.278 -6.294 -17.577 1.00 0.00 H +ATOM 644 HA THR A 43 4.052 -5.868 -15.052 1.00 0.00 H +ATOM 645 HB THR A 43 3.048 -3.627 -17.042 1.00 0.00 H +ATOM 646 HG1 THR A 43 5.502 -5.121 -17.189 1.00 0.00 H +ATOM 647 HG21 THR A 43 5.164 -2.507 -16.218 1.00 0.00 H +ATOM 648 HG22 THR A 43 3.756 -2.578 -15.242 1.00 0.00 H +ATOM 649 HG23 THR A 43 5.064 -3.609 -14.824 1.00 0.00 H +ATOM 650 N ASN A 44 0.932 -4.801 -15.491 1.00 0.00 N +ATOM 651 CA ASN A 44 -0.374 -4.360 -14.894 1.00 0.00 C +ATOM 652 C ASN A 44 -1.004 -5.500 -14.037 1.00 0.00 C +ATOM 653 O ASN A 44 -1.996 -5.127 -13.387 1.00 0.00 O +ATOM 654 CB ASN A 44 -1.339 -3.786 -15.997 1.00 0.00 C +ATOM 655 CG ASN A 44 -1.004 -2.401 -16.483 1.00 0.00 C +ATOM 656 ND2 ASN A 44 -1.373 -2.058 -17.741 1.00 0.00 N +ATOM 657 OD1 ASN A 44 -0.505 -1.535 -15.744 1.00 0.00 O +ATOM 658 H ASN A 44 0.820 -5.017 -16.471 1.00 0.00 H +ATOM 659 HA ASN A 44 -0.022 -3.525 -14.289 1.00 0.00 H +ATOM 660 HB2 ASN A 44 -1.385 -4.400 -16.897 1.00 0.00 H +ATOM 661 HB3 ASN A 44 -2.300 -3.603 -15.515 1.00 0.00 H +ATOM 662 HD21 ASN A 44 -1.927 -2.600 -18.388 1.00 0.00 H +ATOM 663 HD22 ASN A 44 -1.073 -1.184 -18.149 1.00 0.00 H +ATOM 664 N TYR A 45 -0.473 -6.769 -14.033 1.00 0.00 N +ATOM 665 CA TYR A 45 -0.986 -7.814 -13.112 1.00 0.00 C +ATOM 666 C TYR A 45 -0.729 -7.439 -11.679 1.00 0.00 C +ATOM 667 O TYR A 45 -1.479 -7.751 -10.726 1.00 0.00 O +ATOM 668 CB TYR A 45 -0.281 -9.170 -13.422 1.00 0.00 C +ATOM 669 CG TYR A 45 -0.766 -9.993 -14.591 1.00 0.00 C +ATOM 670 CD1 TYR A 45 -1.303 -9.419 -15.771 1.00 0.00 C +ATOM 671 CD2 TYR A 45 -0.510 -11.360 -14.626 1.00 0.00 C +ATOM 672 CE1 TYR A 45 -1.510 -10.191 -16.903 1.00 0.00 C +ATOM 673 CE2 TYR A 45 -0.746 -12.136 -15.729 1.00 0.00 C +ATOM 674 CZ TYR A 45 -1.236 -11.567 -16.880 1.00 0.00 C +ATOM 675 OH TYR A 45 -1.467 -12.236 -18.023 1.00 0.00 O +ATOM 676 H TYR A 45 0.313 -6.978 -14.632 1.00 0.00 H +ATOM 677 HA TYR A 45 -2.060 -7.816 -13.298 1.00 0.00 H +ATOM 678 HB2 TYR A 45 0.806 -9.189 -13.494 1.00 0.00 H +ATOM 679 HB3 TYR A 45 -0.493 -9.824 -12.576 1.00 0.00 H +ATOM 680 HD1 TYR A 45 -1.675 -8.410 -15.675 1.00 0.00 H +ATOM 681 HD2 TYR A 45 -0.074 -11.802 -13.742 1.00 0.00 H +ATOM 682 HE1 TYR A 45 -1.846 -9.750 -17.830 1.00 0.00 H +ATOM 683 HE2 TYR A 45 -0.486 -13.182 -15.665 1.00 0.00 H +ATOM 684 HH TYR A 45 -1.223 -13.165 -18.005 1.00 0.00 H +ATOM 685 N PHE A 46 0.339 -6.721 -11.441 1.00 0.00 N +ATOM 686 CA PHE A 46 0.722 -6.083 -10.174 1.00 0.00 C +ATOM 687 C PHE A 46 -0.110 -4.802 -9.773 1.00 0.00 C +ATOM 688 O PHE A 46 -0.405 -4.566 -8.585 1.00 0.00 O +ATOM 689 CB PHE A 46 2.205 -5.827 -10.174 1.00 0.00 C +ATOM 690 CG PHE A 46 2.997 -7.187 -10.273 1.00 0.00 C +ATOM 691 CD1 PHE A 46 3.275 -8.055 -9.158 1.00 0.00 C +ATOM 692 CD2 PHE A 46 3.349 -7.719 -11.525 1.00 0.00 C +ATOM 693 CE1 PHE A 46 3.873 -9.268 -9.313 1.00 0.00 C +ATOM 694 CE2 PHE A 46 4.111 -8.881 -11.676 1.00 0.00 C +ATOM 695 CZ PHE A 46 4.356 -9.657 -10.515 1.00 0.00 C +ATOM 696 H PHE A 46 1.083 -6.682 -12.123 1.00 0.00 H +ATOM 697 HA PHE A 46 0.557 -6.776 -9.349 1.00 0.00 H +ATOM 698 HB2 PHE A 46 2.546 -5.177 -10.980 1.00 0.00 H +ATOM 699 HB3 PHE A 46 2.650 -5.384 -9.282 1.00 0.00 H +ATOM 700 HD1 PHE A 46 2.977 -7.746 -8.167 1.00 0.00 H +ATOM 701 HD2 PHE A 46 3.021 -7.201 -12.415 1.00 0.00 H +ATOM 702 HE1 PHE A 46 4.000 -9.961 -8.494 1.00 0.00 H +ATOM 703 HE2 PHE A 46 4.346 -9.185 -12.685 1.00 0.00 H +ATOM 704 HZ PHE A 46 4.900 -10.576 -10.674 1.00 0.00 H +ATOM 705 N VAL A 47 -0.569 -3.987 -10.772 1.00 0.00 N +ATOM 706 CA VAL A 47 -1.546 -2.889 -10.492 1.00 0.00 C +ATOM 707 C VAL A 47 -2.882 -3.312 -10.144 1.00 0.00 C +ATOM 708 O VAL A 47 -3.448 -2.674 -9.258 1.00 0.00 O +ATOM 709 CB VAL A 47 -1.637 -1.936 -11.793 1.00 0.00 C +ATOM 710 CG1 VAL A 47 -2.817 -0.953 -11.876 1.00 0.00 C +ATOM 711 CG2 VAL A 47 -0.352 -1.042 -11.745 1.00 0.00 C +ATOM 712 H VAL A 47 -0.306 -4.086 -11.742 1.00 0.00 H +ATOM 713 HA VAL A 47 -1.066 -2.297 -9.712 1.00 0.00 H +ATOM 714 HB VAL A 47 -1.790 -2.453 -12.740 1.00 0.00 H +ATOM 715 HG11 VAL A 47 -3.710 -1.521 -12.136 1.00 0.00 H +ATOM 716 HG12 VAL A 47 -3.007 -0.427 -10.940 1.00 0.00 H +ATOM 717 HG13 VAL A 47 -2.587 -0.162 -12.589 1.00 0.00 H +ATOM 718 HG21 VAL A 47 -0.365 -0.544 -10.775 1.00 0.00 H +ATOM 719 HG22 VAL A 47 0.444 -1.747 -11.987 1.00 0.00 H +ATOM 720 HG23 VAL A 47 -0.245 -0.190 -12.416 1.00 0.00 H +ATOM 721 N VAL A 48 -3.371 -4.343 -10.806 1.00 0.00 N +ATOM 722 CA VAL A 48 -4.663 -5.037 -10.342 1.00 0.00 C +ATOM 723 C VAL A 48 -4.462 -5.639 -8.926 1.00 0.00 C +ATOM 724 O VAL A 48 -5.279 -5.392 -8.023 1.00 0.00 O +ATOM 725 CB VAL A 48 -5.178 -6.154 -11.276 1.00 0.00 C +ATOM 726 CG1 VAL A 48 -6.562 -6.755 -10.896 1.00 0.00 C +ATOM 727 CG2 VAL A 48 -5.494 -5.495 -12.677 1.00 0.00 C +ATOM 728 H VAL A 48 -2.888 -4.722 -11.609 1.00 0.00 H +ATOM 729 HA VAL A 48 -5.441 -4.303 -10.132 1.00 0.00 H +ATOM 730 HB VAL A 48 -4.404 -6.920 -11.333 1.00 0.00 H +ATOM 731 HG11 VAL A 48 -6.555 -7.442 -10.050 1.00 0.00 H +ATOM 732 HG12 VAL A 48 -7.316 -5.991 -10.705 1.00 0.00 H +ATOM 733 HG13 VAL A 48 -6.948 -7.296 -11.760 1.00 0.00 H +ATOM 734 HG21 VAL A 48 -6.502 -5.085 -12.620 1.00 0.00 H +ATOM 735 HG22 VAL A 48 -4.714 -4.805 -12.999 1.00 0.00 H +ATOM 736 HG23 VAL A 48 -5.552 -6.236 -13.474 1.00 0.00 H +ATOM 737 N SER A 49 -3.383 -6.413 -8.720 1.00 0.00 N +ATOM 738 CA SER A 49 -2.989 -7.055 -7.402 1.00 0.00 C +ATOM 739 C SER A 49 -2.936 -5.973 -6.312 1.00 0.00 C +ATOM 740 O SER A 49 -3.465 -6.236 -5.234 1.00 0.00 O +ATOM 741 CB SER A 49 -1.645 -7.857 -7.524 1.00 0.00 C +ATOM 742 OG SER A 49 -1.342 -8.538 -6.327 1.00 0.00 O +ATOM 743 H SER A 49 -2.684 -6.514 -9.442 1.00 0.00 H +ATOM 744 HA SER A 49 -3.640 -7.864 -7.070 1.00 0.00 H +ATOM 745 HB2 SER A 49 -1.760 -8.603 -8.310 1.00 0.00 H +ATOM 746 HB3 SER A 49 -0.802 -7.278 -7.903 1.00 0.00 H +ATOM 747 HG SER A 49 -0.395 -8.698 -6.324 1.00 0.00 H +ATOM 748 N LEU A 50 -2.355 -4.778 -6.541 1.00 0.00 N +ATOM 749 CA LEU A 50 -2.314 -3.625 -5.634 1.00 0.00 C +ATOM 750 C LEU A 50 -3.662 -2.841 -5.397 1.00 0.00 C +ATOM 751 O LEU A 50 -3.835 -2.268 -4.346 1.00 0.00 O +ATOM 752 CB LEU A 50 -1.181 -2.734 -6.176 1.00 0.00 C +ATOM 753 CG LEU A 50 -1.017 -1.337 -5.438 1.00 0.00 C +ATOM 754 CD1 LEU A 50 0.445 -1.031 -5.364 1.00 0.00 C +ATOM 755 CD2 LEU A 50 -1.740 -0.076 -6.093 1.00 0.00 C +ATOM 756 H LEU A 50 -1.732 -4.642 -7.325 1.00 0.00 H +ATOM 757 HA LEU A 50 -2.138 -4.015 -4.631 1.00 0.00 H +ATOM 758 HB2 LEU A 50 -0.269 -3.328 -6.117 1.00 0.00 H +ATOM 759 HB3 LEU A 50 -1.306 -2.569 -7.246 1.00 0.00 H +ATOM 760 HG LEU A 50 -1.360 -1.502 -4.416 1.00 0.00 H +ATOM 761 HD11 LEU A 50 0.543 0.018 -5.083 1.00 0.00 H +ATOM 762 HD12 LEU A 50 1.038 -1.563 -4.619 1.00 0.00 H +ATOM 763 HD13 LEU A 50 0.870 -1.019 -6.367 1.00 0.00 H +ATOM 764 HD21 LEU A 50 -2.621 0.192 -5.510 1.00 0.00 H +ATOM 765 HD22 LEU A 50 -1.062 0.772 -6.195 1.00 0.00 H +ATOM 766 HD23 LEU A 50 -2.017 -0.209 -7.138 1.00 0.00 H +ATOM 767 N ALA A 51 -4.518 -2.832 -6.414 1.00 0.00 N +ATOM 768 CA ALA A 51 -5.892 -2.211 -6.296 1.00 0.00 C +ATOM 769 C ALA A 51 -6.747 -3.090 -5.290 1.00 0.00 C +ATOM 770 O ALA A 51 -7.504 -2.506 -4.516 1.00 0.00 O +ATOM 771 CB ALA A 51 -6.578 -2.122 -7.691 1.00 0.00 C +ATOM 772 H ALA A 51 -4.329 -3.257 -7.311 1.00 0.00 H +ATOM 773 HA ALA A 51 -5.830 -1.257 -5.773 1.00 0.00 H +ATOM 774 HB1 ALA A 51 -7.069 -3.053 -7.978 1.00 0.00 H +ATOM 775 HB2 ALA A 51 -7.434 -1.456 -7.584 1.00 0.00 H +ATOM 776 HB3 ALA A 51 -5.939 -1.648 -8.436 1.00 0.00 H +ATOM 777 N ALA A 52 -6.663 -4.456 -5.428 1.00 0.00 N +ATOM 778 CA ALA A 52 -7.353 -5.463 -4.586 1.00 0.00 C +ATOM 779 C ALA A 52 -7.073 -5.268 -3.097 1.00 0.00 C +ATOM 780 O ALA A 52 -8.025 -5.210 -2.342 1.00 0.00 O +ATOM 781 CB ALA A 52 -6.930 -6.958 -4.983 1.00 0.00 C +ATOM 782 H ALA A 52 -5.994 -4.759 -6.121 1.00 0.00 H +ATOM 783 HA ALA A 52 -8.395 -5.318 -4.872 1.00 0.00 H +ATOM 784 HB1 ALA A 52 -7.720 -7.332 -5.635 1.00 0.00 H +ATOM 785 HB2 ALA A 52 -5.967 -7.116 -5.467 1.00 0.00 H +ATOM 786 HB3 ALA A 52 -6.963 -7.627 -4.123 1.00 0.00 H +ATOM 787 N ALA A 53 -5.787 -5.051 -2.720 1.00 0.00 N +ATOM 788 CA ALA A 53 -5.369 -4.729 -1.401 1.00 0.00 C +ATOM 789 C ALA A 53 -5.997 -3.415 -0.960 1.00 0.00 C +ATOM 790 O ALA A 53 -6.325 -3.348 0.228 1.00 0.00 O +ATOM 791 CB ALA A 53 -3.813 -4.655 -1.225 1.00 0.00 C +ATOM 792 H ALA A 53 -5.070 -5.038 -3.431 1.00 0.00 H +ATOM 793 HA ALA A 53 -5.778 -5.547 -0.808 1.00 0.00 H +ATOM 794 HB1 ALA A 53 -3.447 -4.256 -0.279 1.00 0.00 H +ATOM 795 HB2 ALA A 53 -3.336 -5.629 -1.328 1.00 0.00 H +ATOM 796 HB3 ALA A 53 -3.445 -3.908 -1.929 1.00 0.00 H +ATOM 797 N ASP A 54 -6.149 -2.410 -1.876 1.00 0.00 N +ATOM 798 CA ASP A 54 -6.867 -1.193 -1.631 1.00 0.00 C +ATOM 799 C ASP A 54 -8.455 -1.270 -1.329 1.00 0.00 C +ATOM 800 O ASP A 54 -8.951 -0.644 -0.423 1.00 0.00 O +ATOM 801 CB ASP A 54 -6.494 -0.077 -2.696 1.00 0.00 C +ATOM 802 CG ASP A 54 -5.076 0.446 -2.707 1.00 0.00 C +ATOM 803 OD1 ASP A 54 -4.457 0.484 -1.623 1.00 0.00 O +ATOM 804 OD2 ASP A 54 -4.506 0.718 -3.781 1.00 0.00 O +ATOM 805 H ASP A 54 -5.624 -2.472 -2.737 1.00 0.00 H +ATOM 806 HA ASP A 54 -6.370 -0.847 -0.725 1.00 0.00 H +ATOM 807 HB2 ASP A 54 -6.694 -0.352 -3.732 1.00 0.00 H +ATOM 808 HB3 ASP A 54 -7.196 0.738 -2.518 1.00 0.00 H +ATOM 809 N ILE A 55 -9.156 -2.236 -1.977 1.00 0.00 N +ATOM 810 CA ILE A 55 -10.544 -2.630 -1.565 1.00 0.00 C +ATOM 811 C ILE A 55 -10.658 -3.198 -0.172 1.00 0.00 C +ATOM 812 O ILE A 55 -11.573 -2.852 0.629 1.00 0.00 O +ATOM 813 CB ILE A 55 -11.125 -3.655 -2.590 1.00 0.00 C +ATOM 814 CG1 ILE A 55 -11.365 -2.960 -3.992 1.00 0.00 C +ATOM 815 CG2 ILE A 55 -12.382 -4.458 -2.218 1.00 0.00 C +ATOM 816 CD1 ILE A 55 -11.155 -3.862 -5.284 1.00 0.00 C +ATOM 817 H ILE A 55 -8.730 -2.855 -2.653 1.00 0.00 H +ATOM 818 HA ILE A 55 -11.132 -1.714 -1.513 1.00 0.00 H +ATOM 819 HB ILE A 55 -10.330 -4.378 -2.771 1.00 0.00 H +ATOM 820 HG12 ILE A 55 -12.308 -2.414 -3.964 1.00 0.00 H +ATOM 821 HG13 ILE A 55 -10.565 -2.220 -4.026 1.00 0.00 H +ATOM 822 HG21 ILE A 55 -13.242 -3.812 -2.035 1.00 0.00 H +ATOM 823 HG22 ILE A 55 -12.501 -5.196 -3.011 1.00 0.00 H +ATOM 824 HG23 ILE A 55 -12.159 -5.080 -1.352 1.00 0.00 H +ATOM 825 HD11 ILE A 55 -12.005 -3.847 -5.967 1.00 0.00 H +ATOM 826 HD12 ILE A 55 -10.297 -3.466 -5.827 1.00 0.00 H +ATOM 827 HD13 ILE A 55 -10.973 -4.855 -4.875 1.00 0.00 H +ATOM 828 N LEU A 56 -9.722 -4.079 0.198 1.00 0.00 N +ATOM 829 CA LEU A 56 -9.639 -4.775 1.521 1.00 0.00 C +ATOM 830 C LEU A 56 -9.381 -3.820 2.742 1.00 0.00 C +ATOM 831 O LEU A 56 -9.978 -4.084 3.770 1.00 0.00 O +ATOM 832 CB LEU A 56 -8.457 -5.852 1.528 1.00 0.00 C +ATOM 833 CG LEU A 56 -8.754 -6.971 0.491 1.00 0.00 C +ATOM 834 CD1 LEU A 56 -7.500 -7.709 -0.019 1.00 0.00 C +ATOM 835 CD2 LEU A 56 -9.852 -7.871 1.126 1.00 0.00 C +ATOM 836 H LEU A 56 -9.028 -4.354 -0.483 1.00 0.00 H +ATOM 837 HA LEU A 56 -10.576 -5.323 1.629 1.00 0.00 H +ATOM 838 HB2 LEU A 56 -7.549 -5.376 1.155 1.00 0.00 H +ATOM 839 HB3 LEU A 56 -8.432 -6.256 2.540 1.00 0.00 H +ATOM 840 HG LEU A 56 -9.198 -6.592 -0.430 1.00 0.00 H +ATOM 841 HD11 LEU A 56 -7.576 -8.761 0.258 1.00 0.00 H +ATOM 842 HD12 LEU A 56 -7.426 -7.760 -1.105 1.00 0.00 H +ATOM 843 HD13 LEU A 56 -6.519 -7.398 0.340 1.00 0.00 H +ATOM 844 HD21 LEU A 56 -10.701 -7.936 0.445 1.00 0.00 H +ATOM 845 HD22 LEU A 56 -9.565 -8.922 1.111 1.00 0.00 H +ATOM 846 HD23 LEU A 56 -10.343 -7.585 2.057 1.00 0.00 H +ATOM 847 N VAL A 57 -8.480 -2.792 2.445 1.00 0.00 N +ATOM 848 CA VAL A 57 -8.313 -1.568 3.237 1.00 0.00 C +ATOM 849 C VAL A 57 -9.705 -0.933 3.436 1.00 0.00 C +ATOM 850 O VAL A 57 -9.980 -0.575 4.566 1.00 0.00 O +ATOM 851 CB VAL A 57 -7.314 -0.494 2.665 1.00 0.00 C +ATOM 852 CG1 VAL A 57 -7.342 0.896 3.357 1.00 0.00 C +ATOM 853 CG2 VAL A 57 -5.868 -0.870 2.627 1.00 0.00 C +ATOM 854 H VAL A 57 -7.997 -2.771 1.558 1.00 0.00 H +ATOM 855 HA VAL A 57 -7.923 -1.797 4.229 1.00 0.00 H +ATOM 856 HB VAL A 57 -7.636 -0.274 1.648 1.00 0.00 H +ATOM 857 HG11 VAL A 57 -6.812 1.645 2.768 1.00 0.00 H +ATOM 858 HG12 VAL A 57 -8.373 1.214 3.509 1.00 0.00 H +ATOM 859 HG13 VAL A 57 -6.887 0.847 4.346 1.00 0.00 H +ATOM 860 HG21 VAL A 57 -5.721 -1.911 2.338 1.00 0.00 H +ATOM 861 HG22 VAL A 57 -5.356 -0.140 2.001 1.00 0.00 H +ATOM 862 HG23 VAL A 57 -5.375 -0.897 3.600 1.00 0.00 H +ATOM 863 N GLY A 58 -10.591 -0.810 2.491 1.00 0.00 N +ATOM 864 CA GLY A 58 -11.908 -0.146 2.579 1.00 0.00 C +ATOM 865 C GLY A 58 -12.971 -1.087 3.319 1.00 0.00 C +ATOM 866 O GLY A 58 -13.718 -0.624 4.224 1.00 0.00 O +ATOM 867 H GLY A 58 -10.217 -1.020 1.576 1.00 0.00 H +ATOM 868 HA2 GLY A 58 -11.795 0.778 3.147 1.00 0.00 H +ATOM 869 HA3 GLY A 58 -12.320 0.215 1.637 1.00 0.00 H +ATOM 870 N VAL A 59 -13.057 -2.411 3.000 1.00 0.00 N +ATOM 871 CA VAL A 59 -14.030 -3.320 3.645 1.00 0.00 C +ATOM 872 C VAL A 59 -13.691 -3.763 5.139 1.00 0.00 C +ATOM 873 O VAL A 59 -14.610 -3.897 5.976 1.00 0.00 O +ATOM 874 CB VAL A 59 -14.199 -4.644 2.843 1.00 0.00 C +ATOM 875 CG1 VAL A 59 -15.241 -5.612 3.419 1.00 0.00 C +ATOM 876 CG2 VAL A 59 -14.498 -4.435 1.285 1.00 0.00 C +ATOM 877 H VAL A 59 -12.734 -2.736 2.100 1.00 0.00 H +ATOM 878 HA VAL A 59 -14.995 -2.816 3.601 1.00 0.00 H +ATOM 879 HB VAL A 59 -13.236 -5.155 2.872 1.00 0.00 H +ATOM 880 HG11 VAL A 59 -15.431 -6.464 2.767 1.00 0.00 H +ATOM 881 HG12 VAL A 59 -14.926 -5.913 4.418 1.00 0.00 H +ATOM 882 HG13 VAL A 59 -16.235 -5.175 3.518 1.00 0.00 H +ATOM 883 HG21 VAL A 59 -15.585 -4.365 1.241 1.00 0.00 H +ATOM 884 HG22 VAL A 59 -14.174 -3.479 0.873 1.00 0.00 H +ATOM 885 HG23 VAL A 59 -14.266 -5.312 0.680 1.00 0.00 H +ATOM 886 N LEU A 60 -12.369 -3.985 5.397 1.00 0.00 N +ATOM 887 CA LEU A 60 -11.904 -4.447 6.782 1.00 0.00 C +ATOM 888 C LEU A 60 -10.964 -3.494 7.564 1.00 0.00 C +ATOM 889 O LEU A 60 -11.288 -3.172 8.690 1.00 0.00 O +ATOM 890 CB LEU A 60 -11.246 -5.801 6.617 1.00 0.00 C +ATOM 891 CG LEU A 60 -12.048 -6.911 5.951 1.00 0.00 C +ATOM 892 CD1 LEU A 60 -11.155 -8.075 5.495 1.00 0.00 C +ATOM 893 CD2 LEU A 60 -13.208 -7.407 6.886 1.00 0.00 C +ATOM 894 H LEU A 60 -11.701 -3.749 4.677 1.00 0.00 H +ATOM 895 HA LEU A 60 -12.783 -4.535 7.420 1.00 0.00 H +ATOM 896 HB2 LEU A 60 -10.244 -5.706 6.197 1.00 0.00 H +ATOM 897 HB3 LEU A 60 -10.979 -6.134 7.620 1.00 0.00 H +ATOM 898 HG LEU A 60 -12.505 -6.372 5.121 1.00 0.00 H +ATOM 899 HD11 LEU A 60 -10.966 -7.959 4.428 1.00 0.00 H +ATOM 900 HD12 LEU A 60 -10.207 -7.955 6.019 1.00 0.00 H +ATOM 901 HD13 LEU A 60 -11.452 -9.107 5.682 1.00 0.00 H +ATOM 902 HD21 LEU A 60 -13.894 -8.163 6.503 1.00 0.00 H +ATOM 903 HD22 LEU A 60 -12.892 -7.669 7.895 1.00 0.00 H +ATOM 904 HD23 LEU A 60 -13.848 -6.551 7.101 1.00 0.00 H +ATOM 905 N ALA A 61 -9.973 -2.934 6.964 1.00 0.00 N +ATOM 906 CA ALA A 61 -8.866 -2.181 7.623 1.00 0.00 C +ATOM 907 C ALA A 61 -9.377 -0.875 8.237 1.00 0.00 C +ATOM 908 O ALA A 61 -8.811 -0.420 9.222 1.00 0.00 O +ATOM 909 CB ALA A 61 -7.668 -1.976 6.684 1.00 0.00 C +ATOM 910 H ALA A 61 -9.796 -3.172 5.999 1.00 0.00 H +ATOM 911 HA ALA A 61 -8.434 -2.780 8.425 1.00 0.00 H +ATOM 912 HB1 ALA A 61 -7.664 -2.890 6.091 1.00 0.00 H +ATOM 913 HB2 ALA A 61 -7.634 -1.114 6.018 1.00 0.00 H +ATOM 914 HB3 ALA A 61 -6.718 -1.929 7.217 1.00 0.00 H +ATOM 915 N ILE A 62 -10.271 -0.211 7.544 1.00 0.00 N +ATOM 916 CA ILE A 62 -10.880 1.085 8.001 1.00 0.00 C +ATOM 917 C ILE A 62 -11.901 0.832 9.144 1.00 0.00 C +ATOM 918 O ILE A 62 -11.771 1.548 10.139 1.00 0.00 O +ATOM 919 CB ILE A 62 -11.350 2.040 6.816 1.00 0.00 C +ATOM 920 CG1 ILE A 62 -10.113 2.648 6.086 1.00 0.00 C +ATOM 921 CG2 ILE A 62 -12.236 3.122 7.378 1.00 0.00 C +ATOM 922 CD1 ILE A 62 -10.455 3.509 4.939 1.00 0.00 C +ATOM 923 H ILE A 62 -10.642 -0.619 6.697 1.00 0.00 H +ATOM 924 HA ILE A 62 -10.124 1.731 8.448 1.00 0.00 H +ATOM 925 HB ILE A 62 -11.894 1.484 6.052 1.00 0.00 H +ATOM 926 HG12 ILE A 62 -9.598 3.345 6.747 1.00 0.00 H +ATOM 927 HG13 ILE A 62 -9.423 1.830 5.877 1.00 0.00 H +ATOM 928 HG21 ILE A 62 -12.581 3.870 6.664 1.00 0.00 H +ATOM 929 HG22 ILE A 62 -13.174 2.674 7.705 1.00 0.00 H +ATOM 930 HG23 ILE A 62 -11.709 3.636 8.181 1.00 0.00 H +ATOM 931 HD11 ILE A 62 -10.361 4.540 5.279 1.00 0.00 H +ATOM 932 HD12 ILE A 62 -9.897 3.281 4.031 1.00 0.00 H +ATOM 933 HD13 ILE A 62 -11.498 3.283 4.717 1.00 0.00 H +ATOM 934 N PRO A 63 -12.815 -0.126 9.024 1.00 0.00 N +ATOM 935 CA PRO A 63 -13.513 -0.517 10.255 1.00 0.00 C +ATOM 936 C PRO A 63 -12.650 -0.967 11.507 1.00 0.00 C +ATOM 937 O PRO A 63 -12.893 -0.529 12.616 1.00 0.00 O +ATOM 938 CB PRO A 63 -14.494 -1.537 9.724 1.00 0.00 C +ATOM 939 CG PRO A 63 -14.759 -1.139 8.256 1.00 0.00 C +ATOM 940 CD PRO A 63 -13.492 -0.460 7.804 1.00 0.00 C +ATOM 941 HA PRO A 63 -14.154 0.321 10.525 1.00 0.00 H +ATOM 942 HB2 PRO A 63 -14.105 -2.554 9.673 1.00 0.00 H +ATOM 943 HB3 PRO A 63 -15.407 -1.498 10.318 1.00 0.00 H +ATOM 944 HG2 PRO A 63 -15.097 -1.998 7.677 1.00 0.00 H +ATOM 945 HG3 PRO A 63 -15.583 -0.426 8.256 1.00 0.00 H +ATOM 946 HD2 PRO A 63 -12.986 -1.175 7.156 1.00 0.00 H +ATOM 947 HD3 PRO A 63 -13.884 0.374 7.221 1.00 0.00 H +ATOM 948 N PHE A 64 -11.605 -1.748 11.294 1.00 0.00 N +ATOM 949 CA PHE A 64 -10.564 -2.112 12.301 1.00 0.00 C +ATOM 950 C PHE A 64 -10.052 -0.888 13.033 1.00 0.00 C +ATOM 951 O PHE A 64 -10.242 -0.840 14.229 1.00 0.00 O +ATOM 952 CB PHE A 64 -9.409 -2.963 11.727 1.00 0.00 C +ATOM 953 CG PHE A 64 -9.812 -4.359 11.161 1.00 0.00 C +ATOM 954 CD1 PHE A 64 -11.044 -5.009 11.388 1.00 0.00 C +ATOM 955 CD2 PHE A 64 -8.778 -5.113 10.517 1.00 0.00 C +ATOM 956 CE1 PHE A 64 -11.224 -6.309 10.907 1.00 0.00 C +ATOM 957 CE2 PHE A 64 -8.980 -6.393 10.052 1.00 0.00 C +ATOM 958 CZ PHE A 64 -10.220 -6.991 10.260 1.00 0.00 C +ATOM 959 H PHE A 64 -11.464 -2.174 10.389 1.00 0.00 H +ATOM 960 HA PHE A 64 -11.124 -2.741 12.993 1.00 0.00 H +ATOM 961 HB2 PHE A 64 -9.003 -2.435 10.864 1.00 0.00 H +ATOM 962 HB3 PHE A 64 -8.617 -3.011 12.475 1.00 0.00 H +ATOM 963 HD1 PHE A 64 -11.901 -4.582 11.888 1.00 0.00 H +ATOM 964 HD2 PHE A 64 -7.790 -4.690 10.409 1.00 0.00 H +ATOM 965 HE1 PHE A 64 -12.131 -6.880 11.042 1.00 0.00 H +ATOM 966 HE2 PHE A 64 -8.113 -6.908 9.664 1.00 0.00 H +ATOM 967 HZ PHE A 64 -10.369 -7.995 9.891 1.00 0.00 H +ATOM 968 N ALA A 65 -9.596 0.191 12.370 1.00 0.00 N +ATOM 969 CA ALA A 65 -9.051 1.467 12.937 1.00 0.00 C +ATOM 970 C ALA A 65 -10.078 2.296 13.687 1.00 0.00 C +ATOM 971 O ALA A 65 -9.729 2.908 14.668 1.00 0.00 O +ATOM 972 CB ALA A 65 -8.416 2.298 11.839 1.00 0.00 C +ATOM 973 H ALA A 65 -9.646 0.077 11.368 1.00 0.00 H +ATOM 974 HA ALA A 65 -8.210 1.144 13.552 1.00 0.00 H +ATOM 975 HB1 ALA A 65 -7.513 2.790 12.201 1.00 0.00 H +ATOM 976 HB2 ALA A 65 -8.052 1.684 11.015 1.00 0.00 H +ATOM 977 HB3 ALA A 65 -9.036 3.093 11.424 1.00 0.00 H +ATOM 978 N ILE A 66 -11.264 2.427 13.140 1.00 0.00 N +ATOM 979 CA ILE A 66 -12.504 2.869 13.796 1.00 0.00 C +ATOM 980 C ILE A 66 -12.820 2.112 15.086 1.00 0.00 C +ATOM 981 O ILE A 66 -12.986 2.797 16.098 1.00 0.00 O +ATOM 982 CB ILE A 66 -13.791 2.815 12.896 1.00 0.00 C +ATOM 983 CG1 ILE A 66 -13.658 3.888 11.768 1.00 0.00 C +ATOM 984 CG2 ILE A 66 -15.116 2.886 13.639 1.00 0.00 C +ATOM 985 CD1 ILE A 66 -14.580 3.599 10.609 1.00 0.00 C +ATOM 986 H ILE A 66 -11.372 2.023 12.220 1.00 0.00 H +ATOM 987 HA ILE A 66 -12.434 3.929 14.039 1.00 0.00 H +ATOM 988 HB ILE A 66 -13.784 1.858 12.373 1.00 0.00 H +ATOM 989 HG12 ILE A 66 -13.958 4.835 12.217 1.00 0.00 H +ATOM 990 HG13 ILE A 66 -12.620 3.917 11.438 1.00 0.00 H +ATOM 991 HG21 ILE A 66 -15.912 2.792 12.900 1.00 0.00 H +ATOM 992 HG22 ILE A 66 -15.378 2.036 14.269 1.00 0.00 H +ATOM 993 HG23 ILE A 66 -15.352 3.887 14.002 1.00 0.00 H +ATOM 994 HD11 ILE A 66 -15.172 2.684 10.615 1.00 0.00 H +ATOM 995 HD12 ILE A 66 -15.441 4.265 10.540 1.00 0.00 H +ATOM 996 HD13 ILE A 66 -13.963 3.681 9.714 1.00 0.00 H +ATOM 997 N THR A 67 -12.847 0.701 15.086 1.00 0.00 N +ATOM 998 CA THR A 67 -12.924 -0.087 16.279 1.00 0.00 C +ATOM 999 C THR A 67 -11.819 0.222 17.361 1.00 0.00 C +ATOM 1000 O THR A 67 -12.137 0.359 18.539 1.00 0.00 O +ATOM 1001 CB THR A 67 -13.059 -1.622 16.107 1.00 0.00 C +ATOM 1002 CG2 THR A 67 -13.774 -2.324 17.253 1.00 0.00 C +ATOM 1003 OG1 THR A 67 -13.724 -2.002 14.938 1.00 0.00 O +ATOM 1004 H THR A 67 -12.817 0.314 14.153 1.00 0.00 H +ATOM 1005 HA THR A 67 -13.773 0.303 16.842 1.00 0.00 H +ATOM 1006 HB THR A 67 -12.078 -2.097 16.089 1.00 0.00 H +ATOM 1007 HG1 THR A 67 -13.416 -1.414 14.244 1.00 0.00 H +ATOM 1008 HG21 THR A 67 -13.833 -3.406 17.136 1.00 0.00 H +ATOM 1009 HG22 THR A 67 -13.463 -2.046 18.260 1.00 0.00 H +ATOM 1010 HG23 THR A 67 -14.833 -2.078 17.180 1.00 0.00 H +ATOM 1011 N ILE A 68 -10.576 0.232 16.893 1.00 0.00 N +ATOM 1012 CA ILE A 68 -9.387 0.337 17.776 1.00 0.00 C +ATOM 1013 C ILE A 68 -9.207 1.773 18.357 1.00 0.00 C +ATOM 1014 O ILE A 68 -8.546 1.962 19.374 1.00 0.00 O +ATOM 1015 CB ILE A 68 -8.141 -0.248 17.104 1.00 0.00 C +ATOM 1016 CG1 ILE A 68 -7.536 -1.306 18.074 1.00 0.00 C +ATOM 1017 CG2 ILE A 68 -7.053 0.629 16.527 1.00 0.00 C +ATOM 1018 CD1 ILE A 68 -6.713 -2.365 17.271 1.00 0.00 C +ATOM 1019 H ILE A 68 -10.458 -0.061 15.934 1.00 0.00 H +ATOM 1020 HA ILE A 68 -9.652 -0.194 18.690 1.00 0.00 H +ATOM 1021 HB ILE A 68 -8.427 -0.803 16.211 1.00 0.00 H +ATOM 1022 HG12 ILE A 68 -6.837 -0.762 18.709 1.00 0.00 H +ATOM 1023 HG13 ILE A 68 -8.343 -1.802 18.613 1.00 0.00 H +ATOM 1024 HG21 ILE A 68 -6.154 0.142 16.150 1.00 0.00 H +ATOM 1025 HG22 ILE A 68 -7.549 1.362 15.892 1.00 0.00 H +ATOM 1026 HG23 ILE A 68 -6.649 1.311 17.275 1.00 0.00 H +ATOM 1027 HD11 ILE A 68 -7.081 -3.387 17.369 1.00 0.00 H +ATOM 1028 HD12 ILE A 68 -6.494 -1.982 16.274 1.00 0.00 H +ATOM 1029 HD13 ILE A 68 -5.720 -2.467 17.707 1.00 0.00 H +ATOM 1030 N SER A 69 -9.942 2.772 17.851 1.00 0.00 N +ATOM 1031 CA SER A 69 -9.921 4.093 18.474 1.00 0.00 C +ATOM 1032 C SER A 69 -10.800 4.161 19.711 1.00 0.00 C +ATOM 1033 O SER A 69 -10.819 5.213 20.390 1.00 0.00 O +ATOM 1034 CB SER A 69 -10.438 5.198 17.459 1.00 0.00 C +ATOM 1035 OG SER A 69 -11.824 5.044 17.281 1.00 0.00 O +ATOM 1036 H SER A 69 -10.408 2.591 16.974 1.00 0.00 H +ATOM 1037 HA SER A 69 -8.912 4.334 18.809 1.00 0.00 H +ATOM 1038 HB2 SER A 69 -10.219 6.161 17.920 1.00 0.00 H +ATOM 1039 HB3 SER A 69 -10.004 5.093 16.464 1.00 0.00 H +ATOM 1040 HG SER A 69 -11.970 4.201 16.844 1.00 0.00 H +ATOM 1041 N THR A 70 -11.560 3.067 20.026 1.00 0.00 N +ATOM 1042 CA THR A 70 -12.559 3.065 21.141 1.00 0.00 C +ATOM 1043 C THR A 70 -11.978 2.380 22.411 1.00 0.00 C +ATOM 1044 O THR A 70 -12.563 2.553 23.509 1.00 0.00 O +ATOM 1045 CB THR A 70 -13.995 2.374 20.790 1.00 0.00 C +ATOM 1046 CG2 THR A 70 -14.677 2.969 19.560 1.00 0.00 C +ATOM 1047 OG1 THR A 70 -13.981 0.952 20.522 1.00 0.00 O +ATOM 1048 H THR A 70 -11.458 2.258 19.431 1.00 0.00 H +ATOM 1049 HA THR A 70 -12.761 4.085 21.468 1.00 0.00 H +ATOM 1050 HB THR A 70 -14.641 2.529 21.653 1.00 0.00 H +ATOM 1051 HG1 THR A 70 -13.554 0.930 19.663 1.00 0.00 H +ATOM 1052 HG21 THR A 70 -14.579 4.054 19.524 1.00 0.00 H +ATOM 1053 HG22 THR A 70 -14.157 2.583 18.683 1.00 0.00 H +ATOM 1054 HG23 THR A 70 -15.720 2.712 19.370 1.00 0.00 H +ATOM 1055 N GLY A 71 -10.935 1.602 22.206 1.00 0.00 N +ATOM 1056 CA GLY A 71 -10.151 0.750 23.136 1.00 0.00 C +ATOM 1057 C GLY A 71 -11.040 -0.459 23.588 1.00 0.00 C +ATOM 1058 O GLY A 71 -11.216 -0.693 24.796 1.00 0.00 O +ATOM 1059 H GLY A 71 -10.662 1.575 21.234 1.00 0.00 H +ATOM 1060 HA2 GLY A 71 -9.280 0.277 22.682 1.00 0.00 H +ATOM 1061 HA3 GLY A 71 -9.888 1.206 24.090 1.00 0.00 H +ATOM 1062 N PHE A 72 -11.761 -1.142 22.627 1.00 0.00 N +ATOM 1063 CA PHE A 72 -12.824 -2.098 22.953 1.00 0.00 C +ATOM 1064 C PHE A 72 -12.339 -3.303 23.832 1.00 0.00 C +ATOM 1065 O PHE A 72 -11.148 -3.542 23.916 1.00 0.00 O +ATOM 1066 CB PHE A 72 -13.619 -2.565 21.649 1.00 0.00 C +ATOM 1067 CG PHE A 72 -12.917 -3.458 20.654 1.00 0.00 C +ATOM 1068 CD1 PHE A 72 -11.738 -2.936 20.060 1.00 0.00 C +ATOM 1069 CD2 PHE A 72 -13.293 -4.767 20.502 1.00 0.00 C +ATOM 1070 CE1 PHE A 72 -11.096 -3.814 19.206 1.00 0.00 C +ATOM 1071 CE2 PHE A 72 -12.686 -5.560 19.577 1.00 0.00 C +ATOM 1072 CZ PHE A 72 -11.533 -5.133 19.021 1.00 0.00 C +ATOM 1073 H PHE A 72 -11.676 -0.956 21.638 1.00 0.00 H +ATOM 1074 HA PHE A 72 -13.551 -1.537 23.540 1.00 0.00 H +ATOM 1075 HB2 PHE A 72 -14.587 -2.938 21.985 1.00 0.00 H +ATOM 1076 HB3 PHE A 72 -13.848 -1.630 21.138 1.00 0.00 H +ATOM 1077 HD1 PHE A 72 -11.410 -1.908 20.105 1.00 0.00 H +ATOM 1078 HD2 PHE A 72 -14.178 -5.238 20.904 1.00 0.00 H +ATOM 1079 HE1 PHE A 72 -10.233 -3.354 18.745 1.00 0.00 H +ATOM 1080 HE2 PHE A 72 -13.069 -6.558 19.422 1.00 0.00 H +ATOM 1081 HZ PHE A 72 -11.022 -5.785 18.328 1.00 0.00 H +ATOM 1082 N CYS A 73 -13.275 -3.977 24.564 1.00 0.00 N +ATOM 1083 CA CYS A 73 -13.063 -5.219 25.237 1.00 0.00 C +ATOM 1084 C CYS A 73 -12.988 -6.482 24.310 1.00 0.00 C +ATOM 1085 O CYS A 73 -13.971 -6.848 23.672 1.00 0.00 O +ATOM 1086 CB CYS A 73 -14.231 -5.348 26.301 1.00 0.00 C +ATOM 1087 SG CYS A 73 -14.551 -4.034 27.548 1.00 0.00 S +ATOM 1088 H CYS A 73 -14.221 -3.622 24.552 1.00 0.00 H +ATOM 1089 HA CYS A 73 -12.129 -5.156 25.795 1.00 0.00 H +ATOM 1090 HB2 CYS A 73 -15.209 -5.320 25.821 1.00 0.00 H +ATOM 1091 HB3 CYS A 73 -14.076 -6.260 26.878 1.00 0.00 H +ATOM 1092 N ALA A 74 -11.823 -7.178 24.329 1.00 0.00 N +ATOM 1093 CA ALA A 74 -11.500 -8.332 23.478 1.00 0.00 C +ATOM 1094 C ALA A 74 -10.369 -8.984 24.150 1.00 0.00 C +ATOM 1095 O ALA A 74 -9.733 -8.476 25.095 1.00 0.00 O +ATOM 1096 CB ALA A 74 -11.175 -7.861 22.041 1.00 0.00 C +ATOM 1097 H ALA A 74 -11.044 -6.819 24.863 1.00 0.00 H +ATOM 1098 HA ALA A 74 -12.303 -9.068 23.488 1.00 0.00 H +ATOM 1099 HB1 ALA A 74 -10.294 -8.300 21.574 1.00 0.00 H +ATOM 1100 HB2 ALA A 74 -11.928 -8.354 21.427 1.00 0.00 H +ATOM 1101 HB3 ALA A 74 -11.103 -6.778 21.939 1.00 0.00 H +ATOM 1102 N ALA A 75 -9.979 -10.153 23.658 1.00 0.00 N +ATOM 1103 CA ALA A 75 -8.822 -10.950 24.075 1.00 0.00 C +ATOM 1104 C ALA A 75 -7.599 -10.278 23.392 1.00 0.00 C +ATOM 1105 O ALA A 75 -7.786 -9.785 22.263 1.00 0.00 O +ATOM 1106 CB ALA A 75 -9.009 -12.378 23.680 1.00 0.00 C +ATOM 1107 H ALA A 75 -10.656 -10.508 22.997 1.00 0.00 H +ATOM 1108 HA ALA A 75 -8.732 -10.923 25.161 1.00 0.00 H +ATOM 1109 HB1 ALA A 75 -8.336 -13.078 24.175 1.00 0.00 H +ATOM 1110 HB2 ALA A 75 -10.039 -12.732 23.711 1.00 0.00 H +ATOM 1111 HB3 ALA A 75 -8.739 -12.452 22.627 1.00 0.00 H +ATOM 1112 N CYS A 76 -6.503 -10.294 24.094 1.00 0.00 N +ATOM 1113 CA CYS A 76 -5.215 -9.659 23.830 1.00 0.00 C +ATOM 1114 C CYS A 76 -4.699 -10.276 22.528 1.00 0.00 C +ATOM 1115 O CYS A 76 -4.400 -9.586 21.581 1.00 0.00 O +ATOM 1116 CB CYS A 76 -4.200 -9.750 25.029 1.00 0.00 C +ATOM 1117 SG CYS A 76 -2.646 -8.949 24.721 1.00 0.00 S +ATOM 1118 H CYS A 76 -6.590 -10.571 25.061 1.00 0.00 H +ATOM 1119 HA CYS A 76 -5.414 -8.592 23.731 1.00 0.00 H +ATOM 1120 HB2 CYS A 76 -4.715 -9.216 25.828 1.00 0.00 H +ATOM 1121 HB3 CYS A 76 -4.004 -10.785 25.307 1.00 0.00 H +ATOM 1122 N HIS A 77 -4.598 -11.640 22.473 1.00 0.00 N +ATOM 1123 CA HIS A 77 -4.294 -12.400 21.179 1.00 0.00 C +ATOM 1124 C HIS A 77 -5.259 -12.080 20.015 1.00 0.00 C +ATOM 1125 O HIS A 77 -4.849 -11.889 18.836 1.00 0.00 O +ATOM 1126 CB HIS A 77 -4.062 -13.940 21.362 1.00 0.00 C +ATOM 1127 CG HIS A 77 -2.808 -14.278 22.081 1.00 0.00 C +ATOM 1128 CD2 HIS A 77 -2.631 -14.804 23.335 1.00 0.00 C +ATOM 1129 ND1 HIS A 77 -1.484 -14.112 21.546 1.00 0.00 N +ATOM 1130 CE1 HIS A 77 -0.686 -14.716 22.414 1.00 0.00 C +ATOM 1131 NE2 HIS A 77 -1.273 -15.152 23.508 1.00 0.00 N +ATOM 1132 H HIS A 77 -4.896 -12.128 23.306 1.00 0.00 H +ATOM 1133 HA HIS A 77 -3.360 -11.923 20.882 1.00 0.00 H +ATOM 1134 HB2 HIS A 77 -4.845 -14.470 21.904 1.00 0.00 H +ATOM 1135 HB3 HIS A 77 -4.102 -14.501 20.428 1.00 0.00 H +ATOM 1136 HD2 HIS A 77 -3.377 -15.117 24.050 1.00 0.00 H +ATOM 1137 HE1 HIS A 77 0.366 -14.696 22.171 1.00 0.00 H +ATOM 1138 HE2 HIS A 77 -0.716 -15.503 24.274 1.00 0.00 H +ATOM 1139 N GLY A 78 -6.539 -11.844 20.390 1.00 0.00 N +ATOM 1140 CA GLY A 78 -7.602 -11.621 19.451 1.00 0.00 C +ATOM 1141 C GLY A 78 -7.602 -10.170 18.882 1.00 0.00 C +ATOM 1142 O GLY A 78 -8.099 -9.940 17.776 1.00 0.00 O +ATOM 1143 H GLY A 78 -6.708 -11.852 21.386 1.00 0.00 H +ATOM 1144 HA2 GLY A 78 -7.567 -12.369 18.658 1.00 0.00 H +ATOM 1145 HA3 GLY A 78 -8.609 -11.723 19.854 1.00 0.00 H +ATOM 1146 N CYS A 79 -6.899 -9.285 19.608 1.00 0.00 N +ATOM 1147 CA CYS A 79 -6.546 -7.927 19.177 1.00 0.00 C +ATOM 1148 C CYS A 79 -5.397 -7.887 18.131 1.00 0.00 C +ATOM 1149 O CYS A 79 -5.208 -6.889 17.442 1.00 0.00 O +ATOM 1150 CB CYS A 79 -6.116 -7.067 20.395 1.00 0.00 C +ATOM 1151 SG CYS A 79 -6.318 -5.314 20.350 1.00 0.00 S +ATOM 1152 H CYS A 79 -6.725 -9.483 20.583 1.00 0.00 H +ATOM 1153 HA CYS A 79 -7.358 -7.452 18.626 1.00 0.00 H +ATOM 1154 HB2 CYS A 79 -6.444 -7.386 21.385 1.00 0.00 H +ATOM 1155 HB3 CYS A 79 -5.041 -7.169 20.543 1.00 0.00 H +ATOM 1156 N LEU A 80 -4.701 -8.988 17.811 1.00 0.00 N +ATOM 1157 CA LEU A 80 -3.585 -8.923 16.941 1.00 0.00 C +ATOM 1158 C LEU A 80 -4.059 -8.893 15.501 1.00 0.00 C +ATOM 1159 O LEU A 80 -3.585 -8.045 14.728 1.00 0.00 O +ATOM 1160 CB LEU A 80 -2.715 -10.138 17.209 1.00 0.00 C +ATOM 1161 CG LEU A 80 -1.911 -10.255 18.455 1.00 0.00 C +ATOM 1162 CD1 LEU A 80 -1.360 -11.694 18.658 1.00 0.00 C +ATOM 1163 CD2 LEU A 80 -0.790 -9.278 18.449 1.00 0.00 C +ATOM 1164 H LEU A 80 -4.779 -9.914 18.206 1.00 0.00 H +ATOM 1165 HA LEU A 80 -3.010 -8.007 17.079 1.00 0.00 H +ATOM 1166 HB2 LEU A 80 -3.461 -10.931 17.266 1.00 0.00 H +ATOM 1167 HB3 LEU A 80 -2.035 -10.293 16.371 1.00 0.00 H +ATOM 1168 HG LEU A 80 -2.576 -10.171 19.314 1.00 0.00 H +ATOM 1169 HD11 LEU A 80 -1.794 -12.120 19.563 1.00 0.00 H +ATOM 1170 HD12 LEU A 80 -1.595 -12.262 17.758 1.00 0.00 H +ATOM 1171 HD13 LEU A 80 -0.276 -11.806 18.655 1.00 0.00 H +ATOM 1172 HD21 LEU A 80 -0.960 -8.232 18.707 1.00 0.00 H +ATOM 1173 HD22 LEU A 80 -0.104 -9.428 19.283 1.00 0.00 H +ATOM 1174 HD23 LEU A 80 -0.364 -9.194 17.450 1.00 0.00 H +ATOM 1175 N PHE A 81 -5.097 -9.548 15.188 1.00 0.00 N +ATOM 1176 CA PHE A 81 -5.778 -9.427 13.897 1.00 0.00 C +ATOM 1177 C PHE A 81 -6.350 -8.057 13.500 1.00 0.00 C +ATOM 1178 O PHE A 81 -6.218 -7.612 12.369 1.00 0.00 O +ATOM 1179 CB PHE A 81 -6.748 -10.650 13.653 1.00 0.00 C +ATOM 1180 CG PHE A 81 -7.597 -10.532 12.449 1.00 0.00 C +ATOM 1181 CD1 PHE A 81 -6.984 -10.616 11.227 1.00 0.00 C +ATOM 1182 CD2 PHE A 81 -8.982 -10.257 12.514 1.00 0.00 C +ATOM 1183 CE1 PHE A 81 -7.668 -10.568 9.979 1.00 0.00 C +ATOM 1184 CE2 PHE A 81 -9.668 -10.208 11.313 1.00 0.00 C +ATOM 1185 CZ PHE A 81 -9.036 -10.269 10.065 1.00 0.00 C +ATOM 1186 H PHE A 81 -5.474 -10.312 15.730 1.00 0.00 H +ATOM 1187 HA PHE A 81 -5.071 -9.694 13.111 1.00 0.00 H +ATOM 1188 HB2 PHE A 81 -6.232 -11.602 13.533 1.00 0.00 H +ATOM 1189 HB3 PHE A 81 -7.483 -10.806 14.443 1.00 0.00 H +ATOM 1190 HD1 PHE A 81 -5.911 -10.741 11.218 1.00 0.00 H +ATOM 1191 HD2 PHE A 81 -9.397 -10.079 13.495 1.00 0.00 H +ATOM 1192 HE1 PHE A 81 -7.102 -10.695 9.068 1.00 0.00 H +ATOM 1193 HE2 PHE A 81 -10.718 -9.967 11.238 1.00 0.00 H +ATOM 1194 HZ PHE A 81 -9.605 -10.097 9.164 1.00 0.00 H +ATOM 1195 N ILE A 82 -6.828 -7.275 14.472 1.00 0.00 N +ATOM 1196 CA ILE A 82 -7.411 -5.915 14.300 1.00 0.00 C +ATOM 1197 C ILE A 82 -6.328 -4.773 14.282 1.00 0.00 C +ATOM 1198 O ILE A 82 -6.573 -3.704 13.707 1.00 0.00 O +ATOM 1199 CB ILE A 82 -8.543 -5.633 15.410 1.00 0.00 C +ATOM 1200 CG1 ILE A 82 -9.605 -6.746 15.598 1.00 0.00 C +ATOM 1201 CG2 ILE A 82 -9.278 -4.285 15.263 1.00 0.00 C +ATOM 1202 CD1 ILE A 82 -10.297 -7.204 14.292 1.00 0.00 C +ATOM 1203 H ILE A 82 -6.998 -7.673 15.384 1.00 0.00 H +ATOM 1204 HA ILE A 82 -7.950 -6.015 13.358 1.00 0.00 H +ATOM 1205 HB ILE A 82 -8.023 -5.496 16.358 1.00 0.00 H +ATOM 1206 HG12 ILE A 82 -9.347 -7.562 16.273 1.00 0.00 H +ATOM 1207 HG13 ILE A 82 -10.382 -6.329 16.238 1.00 0.00 H +ATOM 1208 HG21 ILE A 82 -9.837 -4.179 14.333 1.00 0.00 H +ATOM 1209 HG22 ILE A 82 -9.864 -4.006 16.139 1.00 0.00 H +ATOM 1210 HG23 ILE A 82 -8.605 -3.429 15.294 1.00 0.00 H +ATOM 1211 HD11 ILE A 82 -10.927 -6.407 13.897 1.00 0.00 H +ATOM 1212 HD12 ILE A 82 -9.525 -7.480 13.573 1.00 0.00 H +ATOM 1213 HD13 ILE A 82 -11.007 -8.022 14.411 1.00 0.00 H +ATOM 1214 N ALA A 83 -5.127 -5.165 14.769 1.00 0.00 N +ATOM 1215 CA ALA A 83 -3.924 -4.415 14.605 1.00 0.00 C +ATOM 1216 C ALA A 83 -3.104 -4.809 13.369 1.00 0.00 C +ATOM 1217 O ALA A 83 -2.870 -3.904 12.566 1.00 0.00 O +ATOM 1218 CB ALA A 83 -3.011 -4.572 15.897 1.00 0.00 C +ATOM 1219 H ALA A 83 -5.229 -5.798 15.549 1.00 0.00 H +ATOM 1220 HA ALA A 83 -4.215 -3.365 14.577 1.00 0.00 H +ATOM 1221 HB1 ALA A 83 -2.808 -5.613 16.146 1.00 0.00 H +ATOM 1222 HB2 ALA A 83 -2.075 -4.093 15.611 1.00 0.00 H +ATOM 1223 HB3 ALA A 83 -3.544 -4.060 16.699 1.00 0.00 H +ATOM 1224 N CYS A 84 -2.705 -6.047 13.196 1.00 0.00 N +ATOM 1225 CA CYS A 84 -1.749 -6.580 12.251 1.00 0.00 C +ATOM 1226 C CYS A 84 -2.253 -6.530 10.748 1.00 0.00 C +ATOM 1227 O CYS A 84 -1.463 -6.318 9.865 1.00 0.00 O +ATOM 1228 CB CYS A 84 -1.276 -8.037 12.664 1.00 0.00 C +ATOM 1229 SG CYS A 84 -0.404 -7.884 14.262 1.00 0.00 S +ATOM 1230 H CYS A 84 -3.027 -6.710 13.887 1.00 0.00 H +ATOM 1231 HA CYS A 84 -0.880 -5.927 12.322 1.00 0.00 H +ATOM 1232 HB2 CYS A 84 -2.092 -8.752 12.763 1.00 0.00 H +ATOM 1233 HB3 CYS A 84 -0.564 -8.514 11.991 1.00 0.00 H +ATOM 1234 HG CYS A 84 -1.478 -7.318 14.820 1.00 0.00 H +ATOM 1235 N PHE A 85 -3.586 -6.821 10.487 1.00 0.00 N +ATOM 1236 CA PHE A 85 -4.103 -7.006 9.120 1.00 0.00 C +ATOM 1237 C PHE A 85 -3.732 -5.954 7.979 1.00 0.00 C +ATOM 1238 O PHE A 85 -3.426 -6.341 6.859 1.00 0.00 O +ATOM 1239 CB PHE A 85 -5.583 -7.356 9.026 1.00 0.00 C +ATOM 1240 CG PHE A 85 -6.120 -7.724 7.646 1.00 0.00 C +ATOM 1241 CD1 PHE A 85 -5.893 -8.999 7.148 1.00 0.00 C +ATOM 1242 CD2 PHE A 85 -6.933 -6.806 6.985 1.00 0.00 C +ATOM 1243 CE1 PHE A 85 -6.313 -9.291 5.848 1.00 0.00 C +ATOM 1244 CE2 PHE A 85 -7.430 -7.130 5.723 1.00 0.00 C +ATOM 1245 CZ PHE A 85 -7.179 -8.397 5.174 1.00 0.00 C +ATOM 1246 H PHE A 85 -4.274 -6.837 11.227 1.00 0.00 H +ATOM 1247 HA PHE A 85 -3.657 -7.943 8.787 1.00 0.00 H +ATOM 1248 HB2 PHE A 85 -5.776 -8.186 9.705 1.00 0.00 H +ATOM 1249 HB3 PHE A 85 -6.016 -6.490 9.527 1.00 0.00 H +ATOM 1250 HD1 PHE A 85 -5.229 -9.748 7.554 1.00 0.00 H +ATOM 1251 HD2 PHE A 85 -7.257 -5.832 7.321 1.00 0.00 H +ATOM 1252 HE1 PHE A 85 -6.022 -10.240 5.423 1.00 0.00 H +ATOM 1253 HE2 PHE A 85 -7.927 -6.340 5.181 1.00 0.00 H +ATOM 1254 HZ PHE A 85 -7.642 -8.740 4.262 1.00 0.00 H +ATOM 1255 N VAL A 86 -3.849 -4.616 8.276 1.00 0.00 N +ATOM 1256 CA VAL A 86 -3.431 -3.534 7.341 1.00 0.00 C +ATOM 1257 C VAL A 86 -1.964 -3.593 6.831 1.00 0.00 C +ATOM 1258 O VAL A 86 -1.699 -2.999 5.773 1.00 0.00 O +ATOM 1259 CB VAL A 86 -3.615 -2.163 7.974 1.00 0.00 C +ATOM 1260 CG1 VAL A 86 -2.643 -1.984 9.130 1.00 0.00 C +ATOM 1261 CG2 VAL A 86 -3.720 -1.044 6.980 1.00 0.00 C +ATOM 1262 H VAL A 86 -4.083 -4.368 9.227 1.00 0.00 H +ATOM 1263 HA VAL A 86 -4.021 -3.640 6.431 1.00 0.00 H +ATOM 1264 HB VAL A 86 -4.656 -2.117 8.294 1.00 0.00 H +ATOM 1265 HG11 VAL A 86 -2.804 -0.998 9.567 1.00 0.00 H +ATOM 1266 HG12 VAL A 86 -2.815 -2.604 10.010 1.00 0.00 H +ATOM 1267 HG13 VAL A 86 -1.589 -1.992 8.854 1.00 0.00 H +ATOM 1268 HG21 VAL A 86 -4.327 -1.335 6.123 1.00 0.00 H +ATOM 1269 HG22 VAL A 86 -4.119 -0.087 7.315 1.00 0.00 H +ATOM 1270 HG23 VAL A 86 -2.742 -0.889 6.523 1.00 0.00 H +ATOM 1271 N LEU A 87 -1.059 -4.229 7.553 1.00 0.00 N +ATOM 1272 CA LEU A 87 0.376 -4.383 7.260 1.00 0.00 C +ATOM 1273 C LEU A 87 0.525 -5.384 6.140 1.00 0.00 C +ATOM 1274 O LEU A 87 1.292 -5.106 5.152 1.00 0.00 O +ATOM 1275 CB LEU A 87 1.128 -4.877 8.488 1.00 0.00 C +ATOM 1276 CG LEU A 87 0.952 -4.103 9.887 1.00 0.00 C +ATOM 1277 CD1 LEU A 87 1.644 -4.862 11.049 1.00 0.00 C +ATOM 1278 CD2 LEU A 87 1.336 -2.617 9.778 1.00 0.00 C +ATOM 1279 H LEU A 87 -1.319 -4.573 8.466 1.00 0.00 H +ATOM 1280 HA LEU A 87 0.764 -3.407 6.969 1.00 0.00 H +ATOM 1281 HB2 LEU A 87 0.865 -5.932 8.577 1.00 0.00 H +ATOM 1282 HB3 LEU A 87 2.182 -4.806 8.222 1.00 0.00 H +ATOM 1283 HG LEU A 87 -0.092 -4.192 10.186 1.00 0.00 H +ATOM 1284 HD11 LEU A 87 2.624 -4.524 11.384 1.00 0.00 H +ATOM 1285 HD12 LEU A 87 1.040 -4.715 11.944 1.00 0.00 H +ATOM 1286 HD13 LEU A 87 1.620 -5.923 10.802 1.00 0.00 H +ATOM 1287 HD21 LEU A 87 2.416 -2.531 9.898 1.00 0.00 H +ATOM 1288 HD22 LEU A 87 0.996 -2.237 8.815 1.00 0.00 H +ATOM 1289 HD23 LEU A 87 0.910 -2.083 10.627 1.00 0.00 H +ATOM 1290 N VAL A 88 -0.289 -6.456 6.152 1.00 0.00 N +ATOM 1291 CA VAL A 88 -0.432 -7.382 5.016 1.00 0.00 C +ATOM 1292 C VAL A 88 -0.828 -6.555 3.754 1.00 0.00 C +ATOM 1293 O VAL A 88 -0.177 -6.740 2.723 1.00 0.00 O +ATOM 1294 CB VAL A 88 -1.426 -8.555 5.323 1.00 0.00 C +ATOM 1295 CG1 VAL A 88 -1.599 -9.528 4.123 1.00 0.00 C +ATOM 1296 CG2 VAL A 88 -1.076 -9.261 6.605 1.00 0.00 C +ATOM 1297 H VAL A 88 -0.938 -6.659 6.899 1.00 0.00 H +ATOM 1298 HA VAL A 88 0.512 -7.889 4.822 1.00 0.00 H +ATOM 1299 HB VAL A 88 -2.434 -8.193 5.523 1.00 0.00 H +ATOM 1300 HG11 VAL A 88 -2.244 -10.320 4.506 1.00 0.00 H +ATOM 1301 HG12 VAL A 88 -2.041 -9.135 3.207 1.00 0.00 H +ATOM 1302 HG13 VAL A 88 -0.642 -9.982 3.869 1.00 0.00 H +ATOM 1303 HG21 VAL A 88 -1.922 -9.827 6.994 1.00 0.00 H +ATOM 1304 HG22 VAL A 88 -0.193 -9.889 6.487 1.00 0.00 H +ATOM 1305 HG23 VAL A 88 -0.812 -8.596 7.427 1.00 0.00 H +ATOM 1306 N LEU A 89 -1.791 -5.637 3.802 1.00 0.00 N +ATOM 1307 CA LEU A 89 -2.256 -4.821 2.656 1.00 0.00 C +ATOM 1308 C LEU A 89 -1.214 -3.818 2.062 1.00 0.00 C +ATOM 1309 O LEU A 89 -0.782 -3.934 0.881 1.00 0.00 O +ATOM 1310 CB LEU A 89 -3.553 -4.242 3.115 1.00 0.00 C +ATOM 1311 CG LEU A 89 -4.569 -5.234 3.707 1.00 0.00 C +ATOM 1312 CD1 LEU A 89 -5.756 -4.489 4.180 1.00 0.00 C +ATOM 1313 CD2 LEU A 89 -4.948 -6.215 2.571 1.00 0.00 C +ATOM 1314 H LEU A 89 -2.161 -5.531 4.736 1.00 0.00 H +ATOM 1315 HA LEU A 89 -2.390 -5.446 1.772 1.00 0.00 H +ATOM 1316 HB2 LEU A 89 -3.277 -3.541 3.902 1.00 0.00 H +ATOM 1317 HB3 LEU A 89 -4.065 -3.575 2.420 1.00 0.00 H +ATOM 1318 HG LEU A 89 -4.123 -5.893 4.451 1.00 0.00 H +ATOM 1319 HD11 LEU A 89 -5.736 -4.647 5.258 1.00 0.00 H +ATOM 1320 HD12 LEU A 89 -5.766 -3.414 3.995 1.00 0.00 H +ATOM 1321 HD13 LEU A 89 -6.719 -4.917 3.900 1.00 0.00 H +ATOM 1322 HD21 LEU A 89 -5.112 -5.583 1.697 1.00 0.00 H +ATOM 1323 HD22 LEU A 89 -4.129 -6.927 2.475 1.00 0.00 H +ATOM 1324 HD23 LEU A 89 -5.880 -6.722 2.820 1.00 0.00 H +ATOM 1325 N ALA A 90 -0.637 -3.074 3.018 1.00 0.00 N +ATOM 1326 CA ALA A 90 0.491 -2.166 2.772 1.00 0.00 C +ATOM 1327 C ALA A 90 1.762 -2.848 2.219 1.00 0.00 C +ATOM 1328 O ALA A 90 2.313 -2.374 1.279 1.00 0.00 O +ATOM 1329 CB ALA A 90 0.902 -1.379 4.083 1.00 0.00 C +ATOM 1330 H ALA A 90 -0.937 -3.178 3.976 1.00 0.00 H +ATOM 1331 HA ALA A 90 0.166 -1.431 2.036 1.00 0.00 H +ATOM 1332 HB1 ALA A 90 1.328 -0.401 3.857 1.00 0.00 H +ATOM 1333 HB2 ALA A 90 -0.009 -1.170 4.643 1.00 0.00 H +ATOM 1334 HB3 ALA A 90 1.477 -2.054 4.716 1.00 0.00 H +ATOM 1335 N GLN A 91 2.373 -3.872 2.886 1.00 0.00 N +ATOM 1336 CA GLN A 91 3.417 -4.749 2.405 1.00 0.00 C +ATOM 1337 C GLN A 91 3.162 -5.427 1.111 1.00 0.00 C +ATOM 1338 O GLN A 91 4.088 -5.508 0.291 1.00 0.00 O +ATOM 1339 CB GLN A 91 3.684 -5.805 3.501 1.00 0.00 C +ATOM 1340 CG GLN A 91 5.014 -6.639 3.310 1.00 0.00 C +ATOM 1341 CD GLN A 91 6.214 -5.691 3.364 1.00 0.00 C +ATOM 1342 NE2 GLN A 91 7.084 -5.621 2.335 1.00 0.00 N +ATOM 1343 OE1 GLN A 91 6.327 -4.981 4.314 1.00 0.00 O +ATOM 1344 H GLN A 91 2.015 -4.128 3.795 1.00 0.00 H +ATOM 1345 HA GLN A 91 4.261 -4.072 2.271 1.00 0.00 H +ATOM 1346 HB2 GLN A 91 3.787 -5.390 4.504 1.00 0.00 H +ATOM 1347 HB3 GLN A 91 2.818 -6.442 3.681 1.00 0.00 H +ATOM 1348 HG2 GLN A 91 4.980 -7.238 4.220 1.00 0.00 H +ATOM 1349 HG3 GLN A 91 5.006 -7.335 2.471 1.00 0.00 H +ATOM 1350 HE21 GLN A 91 7.019 -6.134 1.467 1.00 0.00 H +ATOM 1351 HE22 GLN A 91 7.917 -5.082 2.525 1.00 0.00 H +ATOM 1352 N SER A 92 1.914 -5.914 0.903 1.00 0.00 N +ATOM 1353 CA SER A 92 1.454 -6.415 -0.413 1.00 0.00 C +ATOM 1354 C SER A 92 1.549 -5.368 -1.472 1.00 0.00 C +ATOM 1355 O SER A 92 2.038 -5.643 -2.591 1.00 0.00 O +ATOM 1356 CB SER A 92 0.093 -7.029 -0.252 1.00 0.00 C +ATOM 1357 OG SER A 92 -0.527 -7.542 -1.476 1.00 0.00 O +ATOM 1358 H SER A 92 1.287 -5.830 1.690 1.00 0.00 H +ATOM 1359 HA SER A 92 2.027 -7.249 -0.817 1.00 0.00 H +ATOM 1360 HB2 SER A 92 0.281 -7.924 0.342 1.00 0.00 H +ATOM 1361 HB3 SER A 92 -0.540 -6.320 0.282 1.00 0.00 H +ATOM 1362 HG SER A 92 -1.368 -7.919 -1.208 1.00 0.00 H +ATOM 1363 N SER A 93 1.162 -4.114 -1.167 1.00 0.00 N +ATOM 1364 CA SER A 93 1.332 -2.957 -2.032 1.00 0.00 C +ATOM 1365 C SER A 93 2.869 -2.603 -2.243 1.00 0.00 C +ATOM 1366 O SER A 93 3.233 -2.422 -3.381 1.00 0.00 O +ATOM 1367 CB SER A 93 0.560 -1.809 -1.611 1.00 0.00 C +ATOM 1368 OG SER A 93 -0.778 -2.009 -1.818 1.00 0.00 O +ATOM 1369 H SER A 93 0.775 -3.921 -0.254 1.00 0.00 H +ATOM 1370 HA SER A 93 0.926 -3.347 -2.965 1.00 0.00 H +ATOM 1371 HB2 SER A 93 0.658 -1.745 -0.527 1.00 0.00 H +ATOM 1372 HB3 SER A 93 0.926 -0.887 -2.062 1.00 0.00 H +ATOM 1373 HG SER A 93 -0.995 -2.777 -1.285 1.00 0.00 H +ATOM 1374 N ILE A 94 3.716 -2.629 -1.200 1.00 0.00 N +ATOM 1375 CA ILE A 94 5.136 -2.453 -1.354 1.00 0.00 C +ATOM 1376 C ILE A 94 5.809 -3.441 -2.378 1.00 0.00 C +ATOM 1377 O ILE A 94 6.433 -2.949 -3.306 1.00 0.00 O +ATOM 1378 CB ILE A 94 5.899 -2.520 0.008 1.00 0.00 C +ATOM 1379 CG1 ILE A 94 5.426 -1.266 0.931 1.00 0.00 C +ATOM 1380 CG2 ILE A 94 7.481 -2.549 -0.159 1.00 0.00 C +ATOM 1381 CD1 ILE A 94 5.662 -1.657 2.440 1.00 0.00 C +ATOM 1382 H ILE A 94 3.397 -2.776 -0.252 1.00 0.00 H +ATOM 1383 HA ILE A 94 5.236 -1.470 -1.814 1.00 0.00 H +ATOM 1384 HB ILE A 94 5.568 -3.426 0.517 1.00 0.00 H +ATOM 1385 HG12 ILE A 94 5.949 -0.362 0.618 1.00 0.00 H +ATOM 1386 HG13 ILE A 94 4.357 -1.087 0.819 1.00 0.00 H +ATOM 1387 HG21 ILE A 94 7.945 -2.595 0.826 1.00 0.00 H +ATOM 1388 HG22 ILE A 94 7.782 -3.494 -0.611 1.00 0.00 H +ATOM 1389 HG23 ILE A 94 7.856 -1.739 -0.785 1.00 0.00 H +ATOM 1390 HD11 ILE A 94 6.007 -2.671 2.638 1.00 0.00 H +ATOM 1391 HD12 ILE A 94 6.401 -0.995 2.892 1.00 0.00 H +ATOM 1392 HD13 ILE A 94 4.740 -1.515 3.004 1.00 0.00 H +ATOM 1393 N PHE A 95 5.585 -4.718 -2.272 1.00 0.00 N +ATOM 1394 CA PHE A 95 5.947 -5.823 -3.144 1.00 0.00 C +ATOM 1395 C PHE A 95 5.392 -5.724 -4.542 1.00 0.00 C +ATOM 1396 O PHE A 95 6.143 -5.969 -5.499 1.00 0.00 O +ATOM 1397 CB PHE A 95 5.495 -7.250 -2.542 1.00 0.00 C +ATOM 1398 CG PHE A 95 6.186 -7.533 -1.195 1.00 0.00 C +ATOM 1399 CD1 PHE A 95 7.506 -7.087 -0.897 1.00 0.00 C +ATOM 1400 CD2 PHE A 95 5.582 -8.606 -0.526 1.00 0.00 C +ATOM 1401 CE1 PHE A 95 8.088 -7.529 0.250 1.00 0.00 C +ATOM 1402 CE2 PHE A 95 6.298 -9.091 0.610 1.00 0.00 C +ATOM 1403 CZ PHE A 95 7.504 -8.543 1.003 1.00 0.00 C +ATOM 1404 H PHE A 95 4.939 -5.068 -1.579 1.00 0.00 H +ATOM 1405 HA PHE A 95 7.029 -5.858 -3.276 1.00 0.00 H +ATOM 1406 HB2 PHE A 95 4.444 -7.210 -2.257 1.00 0.00 H +ATOM 1407 HB3 PHE A 95 5.634 -8.085 -3.229 1.00 0.00 H +ATOM 1408 HD1 PHE A 95 8.044 -6.291 -1.392 1.00 0.00 H +ATOM 1409 HD2 PHE A 95 4.633 -9.054 -0.779 1.00 0.00 H +ATOM 1410 HE1 PHE A 95 9.036 -7.151 0.605 1.00 0.00 H +ATOM 1411 HE2 PHE A 95 5.766 -9.697 1.329 1.00 0.00 H +ATOM 1412 HZ PHE A 95 7.882 -8.756 1.992 1.00 0.00 H +ATOM 1413 N SER A 96 4.144 -5.347 -4.671 1.00 0.00 N +ATOM 1414 CA SER A 96 3.526 -5.013 -5.950 1.00 0.00 C +ATOM 1415 C SER A 96 4.221 -3.817 -6.649 1.00 0.00 C +ATOM 1416 O SER A 96 4.612 -3.986 -7.846 1.00 0.00 O +ATOM 1417 CB SER A 96 1.996 -4.850 -5.708 1.00 0.00 C +ATOM 1418 OG SER A 96 1.378 -6.053 -5.468 1.00 0.00 O +ATOM 1419 H SER A 96 3.478 -5.505 -3.929 1.00 0.00 H +ATOM 1420 HA SER A 96 3.741 -5.907 -6.536 1.00 0.00 H +ATOM 1421 HB2 SER A 96 1.777 -4.145 -4.907 1.00 0.00 H +ATOM 1422 HB3 SER A 96 1.489 -4.488 -6.603 1.00 0.00 H +ATOM 1423 HG SER A 96 0.868 -5.915 -4.666 1.00 0.00 H +ATOM 1424 N LEU A 97 4.395 -2.677 -5.936 1.00 0.00 N +ATOM 1425 CA LEU A 97 5.231 -1.600 -6.459 1.00 0.00 C +ATOM 1426 C LEU A 97 6.667 -1.999 -6.908 1.00 0.00 C +ATOM 1427 O LEU A 97 7.243 -1.610 -7.926 1.00 0.00 O +ATOM 1428 CB LEU A 97 5.242 -0.553 -5.367 1.00 0.00 C +ATOM 1429 CG LEU A 97 4.018 0.367 -5.030 1.00 0.00 C +ATOM 1430 CD1 LEU A 97 4.491 1.335 -3.925 1.00 0.00 C +ATOM 1431 CD2 LEU A 97 3.469 1.158 -6.236 1.00 0.00 C +ATOM 1432 H LEU A 97 4.218 -2.731 -4.943 1.00 0.00 H +ATOM 1433 HA LEU A 97 4.731 -1.339 -7.391 1.00 0.00 H +ATOM 1434 HB2 LEU A 97 5.619 -1.046 -4.471 1.00 0.00 H +ATOM 1435 HB3 LEU A 97 5.979 0.212 -5.609 1.00 0.00 H +ATOM 1436 HG LEU A 97 3.210 -0.172 -4.535 1.00 0.00 H +ATOM 1437 HD11 LEU A 97 4.625 0.823 -2.973 1.00 0.00 H +ATOM 1438 HD12 LEU A 97 5.424 1.828 -4.201 1.00 0.00 H +ATOM 1439 HD13 LEU A 97 3.821 2.170 -3.720 1.00 0.00 H +ATOM 1440 HD21 LEU A 97 4.098 1.034 -7.117 1.00 0.00 H +ATOM 1441 HD22 LEU A 97 2.442 0.939 -6.528 1.00 0.00 H +ATOM 1442 HD23 LEU A 97 3.483 2.223 -6.004 1.00 0.00 H +ATOM 1443 N LEU A 98 7.276 -2.779 -5.994 1.00 0.00 N +ATOM 1444 CA LEU A 98 8.644 -3.387 -6.160 1.00 0.00 C +ATOM 1445 C LEU A 98 8.687 -4.235 -7.487 1.00 0.00 C +ATOM 1446 O LEU A 98 9.612 -4.161 -8.279 1.00 0.00 O +ATOM 1447 CB LEU A 98 9.168 -4.076 -4.834 1.00 0.00 C +ATOM 1448 CG LEU A 98 10.564 -4.591 -4.904 1.00 0.00 C +ATOM 1449 CD1 LEU A 98 11.627 -3.469 -4.911 1.00 0.00 C +ATOM 1450 CD2 LEU A 98 10.863 -5.554 -3.737 1.00 0.00 C +ATOM 1451 H LEU A 98 6.844 -3.004 -5.109 1.00 0.00 H +ATOM 1452 HA LEU A 98 9.285 -2.544 -6.416 1.00 0.00 H +ATOM 1453 HB2 LEU A 98 8.997 -3.481 -3.937 1.00 0.00 H +ATOM 1454 HB3 LEU A 98 8.492 -4.931 -4.812 1.00 0.00 H +ATOM 1455 HG LEU A 98 10.744 -5.143 -5.827 1.00 0.00 H +ATOM 1456 HD11 LEU A 98 11.746 -2.894 -3.992 1.00 0.00 H +ATOM 1457 HD12 LEU A 98 12.658 -3.757 -5.116 1.00 0.00 H +ATOM 1458 HD13 LEU A 98 11.428 -2.628 -5.575 1.00 0.00 H +ATOM 1459 HD21 LEU A 98 10.427 -6.528 -3.958 1.00 0.00 H +ATOM 1460 HD22 LEU A 98 11.904 -5.822 -3.557 1.00 0.00 H +ATOM 1461 HD23 LEU A 98 10.452 -5.215 -2.786 1.00 0.00 H +ATOM 1462 N ALA A 99 7.715 -5.168 -7.682 1.00 0.00 N +ATOM 1463 CA ALA A 99 7.528 -6.032 -8.881 1.00 0.00 C +ATOM 1464 C ALA A 99 7.369 -5.259 -10.188 1.00 0.00 C +ATOM 1465 O ALA A 99 7.693 -5.758 -11.267 1.00 0.00 O +ATOM 1466 CB ALA A 99 6.291 -6.882 -8.668 1.00 0.00 C +ATOM 1467 H ALA A 99 6.880 -5.164 -7.113 1.00 0.00 H +ATOM 1468 HA ALA A 99 8.412 -6.670 -8.865 1.00 0.00 H +ATOM 1469 HB1 ALA A 99 6.393 -7.609 -9.474 1.00 0.00 H +ATOM 1470 HB2 ALA A 99 6.404 -7.476 -7.761 1.00 0.00 H +ATOM 1471 HB3 ALA A 99 5.332 -6.367 -8.729 1.00 0.00 H +ATOM 1472 N ILE A 100 6.965 -4.000 -10.125 1.00 0.00 N +ATOM 1473 CA ILE A 100 6.821 -3.191 -11.344 1.00 0.00 C +ATOM 1474 C ILE A 100 8.164 -2.604 -11.779 1.00 0.00 C +ATOM 1475 O ILE A 100 8.633 -2.832 -12.920 1.00 0.00 O +ATOM 1476 CB ILE A 100 5.743 -2.052 -11.285 1.00 0.00 C +ATOM 1477 CG1 ILE A 100 4.362 -2.747 -11.204 1.00 0.00 C +ATOM 1478 CG2 ILE A 100 5.674 -1.165 -12.489 1.00 0.00 C +ATOM 1479 CD1 ILE A 100 3.379 -1.845 -10.418 1.00 0.00 C +ATOM 1480 H ILE A 100 6.812 -3.556 -9.231 1.00 0.00 H +ATOM 1481 HA ILE A 100 6.600 -3.907 -12.135 1.00 0.00 H +ATOM 1482 HB ILE A 100 5.922 -1.437 -10.402 1.00 0.00 H +ATOM 1483 HG12 ILE A 100 4.022 -2.952 -12.219 1.00 0.00 H +ATOM 1484 HG13 ILE A 100 4.376 -3.730 -10.733 1.00 0.00 H +ATOM 1485 HG21 ILE A 100 6.619 -0.718 -12.796 1.00 0.00 H +ATOM 1486 HG22 ILE A 100 5.521 -1.699 -13.427 1.00 0.00 H +ATOM 1487 HG23 ILE A 100 4.905 -0.397 -12.414 1.00 0.00 H +ATOM 1488 HD11 ILE A 100 3.437 -0.765 -10.551 1.00 0.00 H +ATOM 1489 HD12 ILE A 100 2.354 -2.184 -10.564 1.00 0.00 H +ATOM 1490 HD13 ILE A 100 3.528 -2.065 -9.361 1.00 0.00 H +ATOM 1491 N ALA A 101 8.937 -2.154 -10.831 1.00 0.00 N +ATOM 1492 CA ALA A 101 10.296 -1.700 -10.990 1.00 0.00 C +ATOM 1493 C ALA A 101 11.271 -2.789 -11.325 1.00 0.00 C +ATOM 1494 O ALA A 101 12.257 -2.558 -12.038 1.00 0.00 O +ATOM 1495 CB ALA A 101 10.656 -0.999 -9.707 1.00 0.00 C +ATOM 1496 H ALA A 101 8.520 -1.786 -9.987 1.00 0.00 H +ATOM 1497 HA ALA A 101 10.327 -1.004 -11.828 1.00 0.00 H +ATOM 1498 HB1 ALA A 101 10.892 -1.630 -8.850 1.00 0.00 H +ATOM 1499 HB2 ALA A 101 11.520 -0.355 -9.874 1.00 0.00 H +ATOM 1500 HB3 ALA A 101 9.967 -0.231 -9.356 1.00 0.00 H +ATOM 1501 N ILE A 102 10.996 -4.015 -10.865 1.00 0.00 N +ATOM 1502 CA ILE A 102 11.633 -5.249 -11.430 1.00 0.00 C +ATOM 1503 C ILE A 102 11.248 -5.577 -12.893 1.00 0.00 C +ATOM 1504 O ILE A 102 12.179 -5.615 -13.676 1.00 0.00 O +ATOM 1505 CB ILE A 102 11.448 -6.470 -10.472 1.00 0.00 C +ATOM 1506 CG1 ILE A 102 12.284 -6.443 -9.125 1.00 0.00 C +ATOM 1507 CG2 ILE A 102 11.899 -7.771 -11.078 1.00 0.00 C +ATOM 1508 CD1 ILE A 102 11.514 -7.033 -7.903 1.00 0.00 C +ATOM 1509 H ILE A 102 10.244 -4.129 -10.200 1.00 0.00 H +ATOM 1510 HA ILE A 102 12.715 -5.131 -11.495 1.00 0.00 H +ATOM 1511 HB ILE A 102 10.434 -6.760 -10.199 1.00 0.00 H +ATOM 1512 HG12 ILE A 102 13.237 -6.971 -9.160 1.00 0.00 H +ATOM 1513 HG13 ILE A 102 12.498 -5.386 -8.966 1.00 0.00 H +ATOM 1514 HG21 ILE A 102 11.427 -8.073 -12.012 1.00 0.00 H +ATOM 1515 HG22 ILE A 102 12.935 -7.657 -11.399 1.00 0.00 H +ATOM 1516 HG23 ILE A 102 11.845 -8.598 -10.370 1.00 0.00 H +ATOM 1517 HD11 ILE A 102 12.173 -7.120 -7.039 1.00 0.00 H +ATOM 1518 HD12 ILE A 102 10.718 -6.313 -7.714 1.00 0.00 H +ATOM 1519 HD13 ILE A 102 10.931 -7.953 -7.948 1.00 0.00 H +ATOM 1520 N ASP A 103 9.933 -5.624 -13.212 1.00 0.00 N +ATOM 1521 CA ASP A 103 9.401 -5.750 -14.576 1.00 0.00 C +ATOM 1522 C ASP A 103 10.115 -4.844 -15.578 1.00 0.00 C +ATOM 1523 O ASP A 103 10.676 -5.286 -16.536 1.00 0.00 O +ATOM 1524 CB ASP A 103 7.805 -5.629 -14.631 1.00 0.00 C +ATOM 1525 CG ASP A 103 7.243 -5.788 -16.035 1.00 0.00 C +ATOM 1526 OD1 ASP A 103 6.650 -6.859 -16.328 1.00 0.00 O +ATOM 1527 OD2 ASP A 103 7.327 -4.819 -16.871 1.00 0.00 O +ATOM 1528 H ASP A 103 9.248 -5.681 -12.471 1.00 0.00 H +ATOM 1529 HA ASP A 103 9.748 -6.763 -14.781 1.00 0.00 H +ATOM 1530 HB2 ASP A 103 7.240 -6.339 -14.026 1.00 0.00 H +ATOM 1531 HB3 ASP A 103 7.418 -4.674 -14.274 1.00 0.00 H +ATOM 1532 N ARG A 104 9.973 -3.544 -15.260 1.00 0.00 N +ATOM 1533 CA ARG A 104 10.454 -2.437 -16.102 1.00 0.00 C +ATOM 1534 C ARG A 104 12.010 -2.448 -16.257 1.00 0.00 C +ATOM 1535 O ARG A 104 12.460 -2.036 -17.385 1.00 0.00 O +ATOM 1536 CB ARG A 104 9.888 -1.064 -15.596 1.00 0.00 C +ATOM 1537 CG ARG A 104 8.376 -0.957 -15.459 1.00 0.00 C +ATOM 1538 CD ARG A 104 7.620 -0.913 -16.768 1.00 0.00 C +ATOM 1539 NE ARG A 104 7.693 -2.220 -17.546 1.00 0.00 N +ATOM 1540 CZ ARG A 104 7.828 -2.398 -18.877 1.00 0.00 C +ATOM 1541 NH1 ARG A 104 8.035 -1.362 -19.696 1.00 0.00 N +ATOM 1542 NH2 ARG A 104 7.588 -3.640 -19.438 1.00 0.00 N +ATOM 1543 H ARG A 104 9.398 -3.270 -14.477 1.00 0.00 H +ATOM 1544 HA ARG A 104 10.120 -2.550 -17.134 1.00 0.00 H +ATOM 1545 HB2 ARG A 104 10.205 -0.876 -14.570 1.00 0.00 H +ATOM 1546 HB3 ARG A 104 10.234 -0.239 -16.219 1.00 0.00 H +ATOM 1547 HG2 ARG A 104 7.943 -1.724 -14.817 1.00 0.00 H +ATOM 1548 HG3 ARG A 104 8.086 -0.008 -15.009 1.00 0.00 H +ATOM 1549 HD2 ARG A 104 6.572 -0.637 -16.653 1.00 0.00 H +ATOM 1550 HD3 ARG A 104 7.985 -0.060 -17.341 1.00 0.00 H +ATOM 1551 HE ARG A 104 7.601 -3.088 -17.039 1.00 0.00 H +ATOM 1552 HH11 ARG A 104 8.237 -0.446 -19.321 1.00 0.00 H +ATOM 1553 HH12 ARG A 104 8.152 -1.409 -20.698 1.00 0.00 H +ATOM 1554 HH21 ARG A 104 7.398 -4.384 -18.783 1.00 0.00 H +ATOM 1555 HH22 ARG A 104 7.576 -3.823 -20.431 1.00 0.00 H +ATOM 1556 N TYR A 105 12.730 -2.897 -15.219 1.00 0.00 N +ATOM 1557 CA TYR A 105 14.219 -3.188 -15.236 1.00 0.00 C +ATOM 1558 C TYR A 105 14.664 -4.315 -16.183 1.00 0.00 C +ATOM 1559 O TYR A 105 15.634 -4.131 -16.927 1.00 0.00 O +ATOM 1560 CB TYR A 105 14.798 -3.298 -13.834 1.00 0.00 C +ATOM 1561 CG TYR A 105 16.315 -3.403 -13.724 1.00 0.00 C +ATOM 1562 CD1 TYR A 105 17.158 -2.255 -13.860 1.00 0.00 C +ATOM 1563 CD2 TYR A 105 16.893 -4.661 -13.375 1.00 0.00 C +ATOM 1564 CE1 TYR A 105 18.557 -2.477 -13.787 1.00 0.00 C +ATOM 1565 CE2 TYR A 105 18.264 -4.823 -13.199 1.00 0.00 C +ATOM 1566 CZ TYR A 105 19.112 -3.732 -13.448 1.00 0.00 C +ATOM 1567 OH TYR A 105 20.470 -3.889 -13.478 1.00 0.00 O +ATOM 1568 H TYR A 105 12.211 -3.165 -14.395 1.00 0.00 H +ATOM 1569 HA TYR A 105 14.711 -2.325 -15.685 1.00 0.00 H +ATOM 1570 HB2 TYR A 105 14.448 -2.416 -13.299 1.00 0.00 H +ATOM 1571 HB3 TYR A 105 14.280 -4.095 -13.301 1.00 0.00 H +ATOM 1572 HD1 TYR A 105 16.613 -1.396 -14.222 1.00 0.00 H +ATOM 1573 HD2 TYR A 105 16.297 -5.542 -13.187 1.00 0.00 H +ATOM 1574 HE1 TYR A 105 19.273 -1.670 -13.747 1.00 0.00 H +ATOM 1575 HE2 TYR A 105 18.572 -5.852 -13.082 1.00 0.00 H +ATOM 1576 HH TYR A 105 20.736 -4.779 -13.237 1.00 0.00 H +ATOM 1577 N ILE A 106 13.954 -5.483 -16.163 1.00 0.00 N +ATOM 1578 CA ILE A 106 14.303 -6.540 -17.150 1.00 0.00 C +ATOM 1579 C ILE A 106 13.749 -6.057 -18.553 1.00 0.00 C +ATOM 1580 O ILE A 106 14.321 -6.401 -19.556 1.00 0.00 O +ATOM 1581 CB ILE A 106 13.550 -7.911 -16.742 1.00 0.00 C +ATOM 1582 CG1 ILE A 106 13.825 -8.384 -15.280 1.00 0.00 C +ATOM 1583 CG2 ILE A 106 13.664 -9.115 -17.741 1.00 0.00 C +ATOM 1584 CD1 ILE A 106 12.892 -9.497 -14.692 1.00 0.00 C +ATOM 1585 H ILE A 106 13.165 -5.503 -15.532 1.00 0.00 H +ATOM 1586 HA ILE A 106 15.389 -6.618 -17.192 1.00 0.00 H +ATOM 1587 HB ILE A 106 12.482 -7.700 -16.705 1.00 0.00 H +ATOM 1588 HG12 ILE A 106 14.756 -8.949 -15.245 1.00 0.00 H +ATOM 1589 HG13 ILE A 106 13.781 -7.605 -14.518 1.00 0.00 H +ATOM 1590 HG21 ILE A 106 12.951 -9.928 -17.600 1.00 0.00 H +ATOM 1591 HG22 ILE A 106 13.605 -8.839 -18.794 1.00 0.00 H +ATOM 1592 HG23 ILE A 106 14.670 -9.500 -17.580 1.00 0.00 H +ATOM 1593 HD11 ILE A 106 12.865 -9.393 -13.608 1.00 0.00 H +ATOM 1594 HD12 ILE A 106 11.844 -9.332 -14.944 1.00 0.00 H +ATOM 1595 HD13 ILE A 106 13.259 -10.504 -14.887 1.00 0.00 H +ATOM 1596 N ALA A 107 12.599 -5.358 -18.672 1.00 0.00 N +ATOM 1597 CA ALA A 107 12.023 -4.753 -19.881 1.00 0.00 C +ATOM 1598 C ALA A 107 12.990 -3.890 -20.728 1.00 0.00 C +ATOM 1599 O ALA A 107 13.175 -4.131 -21.920 1.00 0.00 O +ATOM 1600 CB ALA A 107 10.717 -3.972 -19.544 1.00 0.00 C +ATOM 1601 H ALA A 107 12.131 -5.138 -17.804 1.00 0.00 H +ATOM 1602 HA ALA A 107 11.742 -5.547 -20.573 1.00 0.00 H +ATOM 1603 HB1 ALA A 107 10.171 -4.491 -18.755 1.00 0.00 H +ATOM 1604 HB2 ALA A 107 11.013 -2.972 -19.230 1.00 0.00 H +ATOM 1605 HB3 ALA A 107 10.031 -3.851 -20.383 1.00 0.00 H +ATOM 1606 N ILE A 108 13.790 -3.018 -20.005 1.00 0.00 N +ATOM 1607 CA ILE A 108 14.784 -2.215 -20.700 1.00 0.00 C +ATOM 1608 C ILE A 108 16.014 -3.078 -21.153 1.00 0.00 C +ATOM 1609 O ILE A 108 16.779 -2.603 -21.988 1.00 0.00 O +ATOM 1610 CB ILE A 108 15.117 -0.934 -19.907 1.00 0.00 C +ATOM 1611 CG1 ILE A 108 16.140 -0.074 -20.602 1.00 0.00 C +ATOM 1612 CG2 ILE A 108 15.545 -1.273 -18.471 1.00 0.00 C +ATOM 1613 CD1 ILE A 108 15.971 1.460 -20.334 1.00 0.00 C +ATOM 1614 H ILE A 108 13.901 -3.164 -19.012 1.00 0.00 H +ATOM 1615 HA ILE A 108 14.261 -1.947 -21.618 1.00 0.00 H +ATOM 1616 HB ILE A 108 14.190 -0.373 -19.786 1.00 0.00 H +ATOM 1617 HG12 ILE A 108 17.169 -0.393 -20.436 1.00 0.00 H +ATOM 1618 HG13 ILE A 108 16.042 -0.218 -21.678 1.00 0.00 H +ATOM 1619 HG21 ILE A 108 16.277 -2.078 -18.539 1.00 0.00 H +ATOM 1620 HG22 ILE A 108 16.165 -0.451 -18.115 1.00 0.00 H +ATOM 1621 HG23 ILE A 108 14.795 -1.607 -17.753 1.00 0.00 H +ATOM 1622 HD11 ILE A 108 16.386 1.799 -19.385 1.00 0.00 H +ATOM 1623 HD12 ILE A 108 16.507 2.016 -21.103 1.00 0.00 H +ATOM 1624 HD13 ILE A 108 14.980 1.904 -20.425 1.00 0.00 H +ATOM 1625 N ALA A 109 16.238 -4.294 -20.665 1.00 0.00 N +ATOM 1626 CA ALA A 109 17.606 -4.875 -20.701 1.00 0.00 C +ATOM 1627 C ALA A 109 17.658 -5.924 -21.794 1.00 0.00 C +ATOM 1628 O ALA A 109 18.690 -6.320 -22.254 1.00 0.00 O +ATOM 1629 CB ALA A 109 17.859 -5.432 -19.340 1.00 0.00 C +ATOM 1630 H ALA A 109 15.643 -4.748 -19.987 1.00 0.00 H +ATOM 1631 HA ALA A 109 18.352 -4.123 -20.955 1.00 0.00 H +ATOM 1632 HB1 ALA A 109 18.909 -5.694 -19.206 1.00 0.00 H +ATOM 1633 HB2 ALA A 109 17.638 -4.604 -18.666 1.00 0.00 H +ATOM 1634 HB3 ALA A 109 17.213 -6.285 -19.137 1.00 0.00 H +ATOM 1635 N ILE A 110 16.507 -6.398 -22.179 1.00 0.00 N +ATOM 1636 CA ILE A 110 16.318 -7.444 -23.136 1.00 0.00 C +ATOM 1637 C ILE A 110 14.916 -7.349 -23.886 1.00 0.00 C +ATOM 1638 O ILE A 110 14.083 -8.238 -23.689 1.00 0.00 O +ATOM 1639 CB ILE A 110 16.373 -8.905 -22.426 1.00 0.00 C +ATOM 1640 CG1 ILE A 110 15.710 -9.081 -21.039 1.00 0.00 C +ATOM 1641 CG2 ILE A 110 17.802 -9.452 -22.512 1.00 0.00 C +ATOM 1642 CD1 ILE A 110 15.587 -10.509 -20.498 1.00 0.00 C +ATOM 1643 H ILE A 110 15.695 -6.041 -21.697 1.00 0.00 H +ATOM 1644 HA ILE A 110 17.174 -7.432 -23.810 1.00 0.00 H +ATOM 1645 HB ILE A 110 15.900 -9.680 -23.030 1.00 0.00 H +ATOM 1646 HG12 ILE A 110 16.230 -8.550 -20.242 1.00 0.00 H +ATOM 1647 HG13 ILE A 110 14.697 -8.679 -21.042 1.00 0.00 H +ATOM 1648 HG21 ILE A 110 18.061 -9.739 -23.531 1.00 0.00 H +ATOM 1649 HG22 ILE A 110 18.481 -8.710 -22.090 1.00 0.00 H +ATOM 1650 HG23 ILE A 110 17.894 -10.382 -21.953 1.00 0.00 H +ATOM 1651 HD11 ILE A 110 14.726 -10.418 -19.836 1.00 0.00 H +ATOM 1652 HD12 ILE A 110 15.438 -11.253 -21.281 1.00 0.00 H +ATOM 1653 HD13 ILE A 110 16.429 -10.825 -19.882 1.00 0.00 H +ATOM 1654 N PRO A 111 14.560 -6.284 -24.628 1.00 0.00 N +ATOM 1655 CA PRO A 111 13.161 -6.047 -25.110 1.00 0.00 C +ATOM 1656 C PRO A 111 12.511 -7.086 -26.021 1.00 0.00 C +ATOM 1657 O PRO A 111 11.330 -7.294 -25.835 1.00 0.00 O +ATOM 1658 CB PRO A 111 13.299 -4.679 -25.769 1.00 0.00 C +ATOM 1659 CG PRO A 111 14.782 -4.452 -26.093 1.00 0.00 C +ATOM 1660 CD PRO A 111 15.496 -5.186 -24.928 1.00 0.00 C +ATOM 1661 HA PRO A 111 12.476 -5.908 -24.273 1.00 0.00 H +ATOM 1662 HB2 PRO A 111 12.610 -4.515 -26.597 1.00 0.00 H +ATOM 1663 HB3 PRO A 111 13.043 -3.877 -25.077 1.00 0.00 H +ATOM 1664 HG2 PRO A 111 15.103 -4.816 -27.069 1.00 0.00 H +ATOM 1665 HG3 PRO A 111 15.070 -3.403 -26.147 1.00 0.00 H +ATOM 1666 HD2 PRO A 111 16.428 -5.606 -25.308 1.00 0.00 H +ATOM 1667 HD3 PRO A 111 15.556 -4.405 -24.170 1.00 0.00 H +ATOM 1668 N LEU A 112 13.335 -7.755 -26.851 1.00 0.00 N +ATOM 1669 CA LEU A 112 12.928 -8.822 -27.812 1.00 0.00 C +ATOM 1670 C LEU A 112 12.829 -10.224 -27.160 1.00 0.00 C +ATOM 1671 O LEU A 112 12.480 -11.159 -27.840 1.00 0.00 O +ATOM 1672 CB LEU A 112 13.864 -8.875 -29.154 1.00 0.00 C +ATOM 1673 CG LEU A 112 14.048 -7.519 -29.903 1.00 0.00 C +ATOM 1674 CD1 LEU A 112 15.092 -7.727 -30.967 1.00 0.00 C +ATOM 1675 CD2 LEU A 112 12.780 -6.784 -30.460 1.00 0.00 C +ATOM 1676 H LEU A 112 14.323 -7.547 -26.812 1.00 0.00 H +ATOM 1677 HA LEU A 112 11.898 -8.594 -28.089 1.00 0.00 H +ATOM 1678 HB2 LEU A 112 14.798 -9.291 -28.777 1.00 0.00 H +ATOM 1679 HB3 LEU A 112 13.604 -9.613 -29.912 1.00 0.00 H +ATOM 1680 HG LEU A 112 14.465 -6.812 -29.186 1.00 0.00 H +ATOM 1681 HD11 LEU A 112 15.400 -6.733 -31.290 1.00 0.00 H +ATOM 1682 HD12 LEU A 112 15.926 -8.221 -30.469 1.00 0.00 H +ATOM 1683 HD13 LEU A 112 14.812 -8.434 -31.747 1.00 0.00 H +ATOM 1684 HD21 LEU A 112 11.914 -6.892 -29.808 1.00 0.00 H +ATOM 1685 HD22 LEU A 112 12.922 -5.704 -30.504 1.00 0.00 H +ATOM 1686 HD23 LEU A 112 12.490 -6.949 -31.497 1.00 0.00 H +ATOM 1687 N ARG A 113 13.076 -10.370 -25.849 1.00 0.00 N +ATOM 1688 CA ARG A 113 12.851 -11.561 -25.131 1.00 0.00 C +ATOM 1689 C ARG A 113 12.405 -11.307 -23.593 1.00 0.00 C +ATOM 1690 O ARG A 113 12.393 -12.186 -22.763 1.00 0.00 O +ATOM 1691 CB ARG A 113 14.009 -12.556 -25.205 1.00 0.00 C +ATOM 1692 CG ARG A 113 15.334 -12.111 -24.479 1.00 0.00 C +ATOM 1693 CD ARG A 113 16.237 -13.290 -24.508 1.00 0.00 C +ATOM 1694 NE ARG A 113 17.462 -12.946 -23.769 1.00 0.00 N +ATOM 1695 CZ ARG A 113 17.874 -13.503 -22.599 1.00 0.00 C +ATOM 1696 NH1 ARG A 113 17.181 -14.433 -21.941 1.00 0.00 N +ATOM 1697 NH2 ARG A 113 18.928 -12.952 -21.984 1.00 0.00 N +ATOM 1698 H ARG A 113 13.412 -9.562 -25.344 1.00 0.00 H +ATOM 1699 HA ARG A 113 12.048 -12.089 -25.645 1.00 0.00 H +ATOM 1700 HB2 ARG A 113 13.577 -13.467 -24.791 1.00 0.00 H +ATOM 1701 HB3 ARG A 113 14.294 -12.891 -26.202 1.00 0.00 H +ATOM 1702 HG2 ARG A 113 15.810 -11.264 -24.971 1.00 0.00 H +ATOM 1703 HG3 ARG A 113 15.140 -11.848 -23.439 1.00 0.00 H +ATOM 1704 HD2 ARG A 113 15.770 -14.082 -23.923 1.00 0.00 H +ATOM 1705 HD3 ARG A 113 16.616 -13.615 -25.477 1.00 0.00 H +ATOM 1706 HE ARG A 113 17.962 -12.202 -24.235 1.00 0.00 H +ATOM 1707 HH11 ARG A 113 16.393 -14.932 -22.328 1.00 0.00 H +ATOM 1708 HH12 ARG A 113 17.418 -14.667 -20.987 1.00 0.00 H +ATOM 1709 HH21 ARG A 113 19.560 -12.247 -22.334 1.00 0.00 H +ATOM 1710 HH22 ARG A 113 19.181 -13.158 -21.028 1.00 0.00 H +ATOM 1711 N TYR A 114 11.973 -10.109 -23.322 1.00 0.00 N +ATOM 1712 CA TYR A 114 11.396 -9.777 -22.021 1.00 0.00 C +ATOM 1713 C TYR A 114 10.154 -10.617 -21.649 1.00 0.00 C +ATOM 1714 O TYR A 114 10.132 -11.088 -20.526 1.00 0.00 O +ATOM 1715 CB TYR A 114 11.083 -8.268 -21.947 1.00 0.00 C +ATOM 1716 CG TYR A 114 9.952 -7.687 -21.045 1.00 0.00 C +ATOM 1717 CD1 TYR A 114 9.981 -7.723 -19.598 1.00 0.00 C +ATOM 1718 CD2 TYR A 114 8.748 -7.430 -21.685 1.00 0.00 C +ATOM 1719 CE1 TYR A 114 8.819 -7.353 -18.832 1.00 0.00 C +ATOM 1720 CE2 TYR A 114 7.639 -6.968 -20.963 1.00 0.00 C +ATOM 1721 CZ TYR A 114 7.669 -6.989 -19.551 1.00 0.00 C +ATOM 1722 OH TYR A 114 6.484 -6.591 -18.958 1.00 0.00 O +ATOM 1723 H TYR A 114 12.007 -9.356 -23.994 1.00 0.00 H +ATOM 1724 HA TYR A 114 12.157 -10.052 -21.291 1.00 0.00 H +ATOM 1725 HB2 TYR A 114 11.961 -7.727 -21.594 1.00 0.00 H +ATOM 1726 HB3 TYR A 114 11.062 -7.888 -22.968 1.00 0.00 H +ATOM 1727 HD1 TYR A 114 10.796 -8.231 -19.105 1.00 0.00 H +ATOM 1728 HD2 TYR A 114 8.602 -7.452 -22.755 1.00 0.00 H +ATOM 1729 HE1 TYR A 114 8.854 -7.329 -17.753 1.00 0.00 H +ATOM 1730 HE2 TYR A 114 6.750 -6.660 -21.492 1.00 0.00 H +ATOM 1731 HH TYR A 114 6.580 -6.649 -18.005 1.00 0.00 H +ATOM 1732 N ASN A 115 9.240 -10.850 -22.560 1.00 0.00 N +ATOM 1733 CA ASN A 115 8.160 -11.824 -22.399 1.00 0.00 C +ATOM 1734 C ASN A 115 8.657 -13.298 -22.433 1.00 0.00 C +ATOM 1735 O ASN A 115 7.987 -14.226 -22.021 1.00 0.00 O +ATOM 1736 CB ASN A 115 7.057 -11.602 -23.431 1.00 0.00 C +ATOM 1737 CG ASN A 115 6.323 -10.234 -23.662 1.00 0.00 C +ATOM 1738 ND2 ASN A 115 7.011 -9.244 -24.315 1.00 0.00 N +ATOM 1739 OD1 ASN A 115 5.184 -10.073 -23.304 1.00 0.00 O +ATOM 1740 H ASN A 115 9.376 -10.483 -23.491 1.00 0.00 H +ATOM 1741 HA ASN A 115 7.696 -11.638 -21.431 1.00 0.00 H +ATOM 1742 HB2 ASN A 115 7.396 -11.810 -24.446 1.00 0.00 H +ATOM 1743 HB3 ASN A 115 6.274 -12.328 -23.216 1.00 0.00 H +ATOM 1744 HD21 ASN A 115 7.990 -9.360 -24.533 1.00 0.00 H +ATOM 1745 HD22 ASN A 115 6.610 -8.331 -24.478 1.00 0.00 H +ATOM 1746 N GLY A 116 9.885 -13.499 -22.860 1.00 0.00 N +ATOM 1747 CA GLY A 116 10.597 -14.835 -22.985 1.00 0.00 C +ATOM 1748 C GLY A 116 11.024 -15.290 -21.552 1.00 0.00 C +ATOM 1749 O GLY A 116 10.993 -16.444 -21.098 1.00 0.00 O +ATOM 1750 H GLY A 116 10.424 -12.648 -22.932 1.00 0.00 H +ATOM 1751 HA2 GLY A 116 9.887 -15.527 -23.438 1.00 0.00 H +ATOM 1752 HA3 GLY A 116 11.471 -14.665 -23.613 1.00 0.00 H +ATOM 1753 N LEU A 117 11.327 -14.313 -20.751 1.00 0.00 N +ATOM 1754 CA LEU A 117 11.585 -14.438 -19.276 1.00 0.00 C +ATOM 1755 C LEU A 117 10.294 -14.110 -18.514 1.00 0.00 C +ATOM 1756 O LEU A 117 9.826 -15.006 -17.863 1.00 0.00 O +ATOM 1757 CB LEU A 117 12.857 -13.589 -19.084 1.00 0.00 C +ATOM 1758 CG LEU A 117 13.567 -13.840 -17.739 1.00 0.00 C +ATOM 1759 CD1 LEU A 117 14.287 -15.152 -17.634 1.00 0.00 C +ATOM 1760 CD2 LEU A 117 14.549 -12.726 -17.433 1.00 0.00 C +ATOM 1761 H LEU A 117 11.416 -13.361 -21.074 1.00 0.00 H +ATOM 1762 HA LEU A 117 11.866 -15.465 -19.041 1.00 0.00 H +ATOM 1763 HB2 LEU A 117 13.499 -13.843 -19.928 1.00 0.00 H +ATOM 1764 HB3 LEU A 117 12.668 -12.518 -19.156 1.00 0.00 H +ATOM 1765 HG LEU A 117 12.786 -13.848 -16.978 1.00 0.00 H +ATOM 1766 HD11 LEU A 117 13.918 -15.903 -18.332 1.00 0.00 H +ATOM 1767 HD12 LEU A 117 15.334 -15.069 -17.925 1.00 0.00 H +ATOM 1768 HD13 LEU A 117 14.333 -15.553 -16.621 1.00 0.00 H +ATOM 1769 HD21 LEU A 117 15.365 -13.117 -16.825 1.00 0.00 H +ATOM 1770 HD22 LEU A 117 14.979 -12.332 -18.354 1.00 0.00 H +ATOM 1771 HD23 LEU A 117 14.081 -11.888 -16.917 1.00 0.00 H +ATOM 1772 N VAL A 118 9.727 -12.866 -18.512 1.00 0.00 N +ATOM 1773 CA VAL A 118 8.716 -12.384 -17.579 1.00 0.00 C +ATOM 1774 C VAL A 118 7.320 -12.756 -18.190 1.00 0.00 C +ATOM 1775 O VAL A 118 6.756 -11.805 -18.774 1.00 0.00 O +ATOM 1776 CB VAL A 118 8.853 -10.846 -17.381 1.00 0.00 C +ATOM 1777 CG1 VAL A 118 8.018 -10.192 -16.255 1.00 0.00 C +ATOM 1778 CG2 VAL A 118 10.297 -10.528 -17.022 1.00 0.00 C +ATOM 1779 H VAL A 118 10.052 -12.160 -19.157 1.00 0.00 H +ATOM 1780 HA VAL A 118 8.941 -12.872 -16.630 1.00 0.00 H +ATOM 1781 HB VAL A 118 8.576 -10.374 -18.324 1.00 0.00 H +ATOM 1782 HG11 VAL A 118 7.947 -9.112 -16.382 1.00 0.00 H +ATOM 1783 HG12 VAL A 118 7.026 -10.607 -16.435 1.00 0.00 H +ATOM 1784 HG13 VAL A 118 8.513 -10.542 -15.349 1.00 0.00 H +ATOM 1785 HG21 VAL A 118 10.567 -11.126 -16.151 1.00 0.00 H +ATOM 1786 HG22 VAL A 118 10.933 -10.911 -17.820 1.00 0.00 H +ATOM 1787 HG23 VAL A 118 10.482 -9.459 -16.926 1.00 0.00 H +ATOM 1788 N THR A 119 6.885 -14.018 -18.179 1.00 0.00 N +ATOM 1789 CA THR A 119 5.564 -14.536 -18.647 1.00 0.00 C +ATOM 1790 C THR A 119 4.498 -14.205 -17.541 1.00 0.00 C +ATOM 1791 O THR A 119 4.903 -14.139 -16.322 1.00 0.00 O +ATOM 1792 CB THR A 119 5.576 -15.959 -19.146 1.00 0.00 C +ATOM 1793 CG2 THR A 119 6.911 -16.493 -19.594 1.00 0.00 C +ATOM 1794 OG1 THR A 119 5.135 -16.798 -18.094 1.00 0.00 O +ATOM 1795 H THR A 119 7.616 -14.700 -18.033 1.00 0.00 H +ATOM 1796 HA THR A 119 5.333 -13.866 -19.475 1.00 0.00 H +ATOM 1797 HB THR A 119 4.890 -15.985 -19.993 1.00 0.00 H +ATOM 1798 HG1 THR A 119 5.170 -17.736 -18.295 1.00 0.00 H +ATOM 1799 HG21 THR A 119 7.620 -16.228 -18.810 1.00 0.00 H +ATOM 1800 HG22 THR A 119 6.948 -17.571 -19.749 1.00 0.00 H +ATOM 1801 HG23 THR A 119 7.326 -16.027 -20.488 1.00 0.00 H +ATOM 1802 N GLY A 120 3.225 -14.220 -17.936 1.00 0.00 N +ATOM 1803 CA GLY A 120 2.065 -13.860 -17.098 1.00 0.00 C +ATOM 1804 C GLY A 120 1.790 -15.093 -16.241 1.00 0.00 C +ATOM 1805 O GLY A 120 1.509 -14.918 -15.056 1.00 0.00 O +ATOM 1806 H GLY A 120 3.061 -14.531 -18.884 1.00 0.00 H +ATOM 1807 HA2 GLY A 120 2.354 -12.988 -16.512 1.00 0.00 H +ATOM 1808 HA3 GLY A 120 1.231 -13.573 -17.739 1.00 0.00 H +ATOM 1809 N THR A 121 1.931 -16.367 -16.735 1.00 0.00 N +ATOM 1810 CA THR A 121 1.811 -17.606 -15.923 1.00 0.00 C +ATOM 1811 C THR A 121 2.988 -17.798 -14.876 1.00 0.00 C +ATOM 1812 O THR A 121 2.769 -18.377 -13.790 1.00 0.00 O +ATOM 1813 CB THR A 121 1.745 -18.932 -16.848 1.00 0.00 C +ATOM 1814 CG2 THR A 121 1.154 -20.028 -15.968 1.00 0.00 C +ATOM 1815 OG1 THR A 121 0.847 -18.698 -17.974 1.00 0.00 O +ATOM 1816 H THR A 121 2.325 -16.404 -17.664 1.00 0.00 H +ATOM 1817 HA THR A 121 0.882 -17.594 -15.353 1.00 0.00 H +ATOM 1818 HB THR A 121 2.708 -19.084 -17.335 1.00 0.00 H +ATOM 1819 HG1 THR A 121 1.202 -17.948 -18.456 1.00 0.00 H +ATOM 1820 HG21 THR A 121 0.236 -19.673 -15.499 1.00 0.00 H +ATOM 1821 HG22 THR A 121 0.801 -20.912 -16.499 1.00 0.00 H +ATOM 1822 HG23 THR A 121 1.815 -20.339 -15.159 1.00 0.00 H +ATOM 1823 N ARG A 122 4.189 -17.280 -15.191 1.00 0.00 N +ATOM 1824 CA ARG A 122 5.370 -17.236 -14.336 1.00 0.00 C +ATOM 1825 C ARG A 122 5.129 -16.152 -13.207 1.00 0.00 C +ATOM 1826 O ARG A 122 5.289 -16.355 -11.994 1.00 0.00 O +ATOM 1827 CB ARG A 122 6.733 -17.035 -15.162 1.00 0.00 C +ATOM 1828 CG ARG A 122 7.143 -18.185 -16.010 1.00 0.00 C +ATOM 1829 CD ARG A 122 8.598 -18.014 -16.582 1.00 0.00 C +ATOM 1830 NE ARG A 122 8.815 -18.909 -17.707 1.00 0.00 N +ATOM 1831 CZ ARG A 122 9.861 -18.995 -18.420 1.00 0.00 C +ATOM 1832 NH1 ARG A 122 9.996 -19.866 -19.412 1.00 0.00 N +ATOM 1833 NH2 ARG A 122 10.908 -18.166 -18.277 1.00 0.00 N +ATOM 1834 H ARG A 122 4.146 -16.667 -15.992 1.00 0.00 H +ATOM 1835 HA ARG A 122 5.336 -18.211 -13.850 1.00 0.00 H +ATOM 1836 HB2 ARG A 122 6.759 -16.168 -15.822 1.00 0.00 H +ATOM 1837 HB3 ARG A 122 7.468 -16.933 -14.364 1.00 0.00 H +ATOM 1838 HG2 ARG A 122 6.975 -19.056 -15.376 1.00 0.00 H +ATOM 1839 HG3 ARG A 122 6.616 -18.345 -16.951 1.00 0.00 H +ATOM 1840 HD2 ARG A 122 8.810 -16.956 -16.730 1.00 0.00 H +ATOM 1841 HD3 ARG A 122 9.339 -18.217 -15.809 1.00 0.00 H +ATOM 1842 HE ARG A 122 7.970 -19.429 -17.898 1.00 0.00 H +ATOM 1843 HH11 ARG A 122 9.373 -20.658 -19.483 1.00 0.00 H +ATOM 1844 HH12 ARG A 122 10.877 -19.919 -19.903 1.00 0.00 H +ATOM 1845 HH21 ARG A 122 10.843 -17.542 -17.486 1.00 0.00 H +ATOM 1846 HH22 ARG A 122 11.843 -18.513 -18.440 1.00 0.00 H +ATOM 1847 N ALA A 123 4.593 -14.953 -13.671 1.00 0.00 N +ATOM 1848 CA ALA A 123 4.060 -13.953 -12.771 1.00 0.00 C +ATOM 1849 C ALA A 123 2.983 -14.438 -11.830 1.00 0.00 C +ATOM 1850 O ALA A 123 3.019 -13.913 -10.713 1.00 0.00 O +ATOM 1851 CB ALA A 123 3.503 -12.787 -13.548 1.00 0.00 C +ATOM 1852 H ALA A 123 4.810 -14.734 -14.632 1.00 0.00 H +ATOM 1853 HA ALA A 123 4.948 -13.703 -12.190 1.00 0.00 H +ATOM 1854 HB1 ALA A 123 4.243 -12.568 -14.317 1.00 0.00 H +ATOM 1855 HB2 ALA A 123 2.523 -12.986 -13.982 1.00 0.00 H +ATOM 1856 HB3 ALA A 123 3.389 -11.880 -12.955 1.00 0.00 H +ATOM 1857 N ALA A 124 2.200 -15.450 -12.211 1.00 0.00 N +ATOM 1858 CA ALA A 124 1.189 -16.106 -11.352 1.00 0.00 C +ATOM 1859 C ALA A 124 1.796 -16.840 -10.179 1.00 0.00 C +ATOM 1860 O ALA A 124 1.221 -16.816 -9.081 1.00 0.00 O +ATOM 1861 CB ALA A 124 0.272 -17.016 -12.246 1.00 0.00 C +ATOM 1862 H ALA A 124 2.202 -15.673 -13.196 1.00 0.00 H +ATOM 1863 HA ALA A 124 0.624 -15.292 -10.899 1.00 0.00 H +ATOM 1864 HB1 ALA A 124 0.053 -16.521 -13.192 1.00 0.00 H +ATOM 1865 HB2 ALA A 124 0.599 -18.021 -12.515 1.00 0.00 H +ATOM 1866 HB3 ALA A 124 -0.648 -17.215 -11.697 1.00 0.00 H +ATOM 1867 N GLY A 125 3.031 -17.327 -10.334 1.00 0.00 N +ATOM 1868 CA GLY A 125 3.646 -17.934 -9.147 1.00 0.00 C +ATOM 1869 C GLY A 125 4.163 -16.795 -8.269 1.00 0.00 C +ATOM 1870 O GLY A 125 3.992 -16.867 -7.027 1.00 0.00 O +ATOM 1871 H GLY A 125 3.505 -17.199 -11.216 1.00 0.00 H +ATOM 1872 HA2 GLY A 125 2.938 -18.595 -8.646 1.00 0.00 H +ATOM 1873 HA3 GLY A 125 4.541 -18.521 -9.352 1.00 0.00 H +ATOM 1874 N ILE A 126 4.687 -15.720 -8.938 1.00 0.00 N +ATOM 1875 CA ILE A 126 5.333 -14.611 -8.207 1.00 0.00 C +ATOM 1876 C ILE A 126 4.404 -13.755 -7.390 1.00 0.00 C +ATOM 1877 O ILE A 126 4.689 -13.444 -6.250 1.00 0.00 O +ATOM 1878 CB ILE A 126 6.067 -13.725 -9.189 1.00 0.00 C +ATOM 1879 CG1 ILE A 126 7.223 -14.478 -9.884 1.00 0.00 C +ATOM 1880 CG2 ILE A 126 6.627 -12.466 -8.503 1.00 0.00 C +ATOM 1881 CD1 ILE A 126 7.958 -13.671 -10.937 1.00 0.00 C +ATOM 1882 H ILE A 126 4.548 -15.593 -9.930 1.00 0.00 H +ATOM 1883 HA ILE A 126 6.104 -15.024 -7.556 1.00 0.00 H +ATOM 1884 HB ILE A 126 5.442 -13.409 -10.024 1.00 0.00 H +ATOM 1885 HG12 ILE A 126 7.973 -14.799 -9.161 1.00 0.00 H +ATOM 1886 HG13 ILE A 126 6.947 -15.398 -10.398 1.00 0.00 H +ATOM 1887 HG21 ILE A 126 7.247 -11.864 -9.167 1.00 0.00 H +ATOM 1888 HG22 ILE A 126 5.844 -11.828 -8.091 1.00 0.00 H +ATOM 1889 HG23 ILE A 126 7.242 -12.742 -7.646 1.00 0.00 H +ATOM 1890 HD11 ILE A 126 7.258 -13.187 -11.619 1.00 0.00 H +ATOM 1891 HD12 ILE A 126 8.383 -12.772 -10.491 1.00 0.00 H +ATOM 1892 HD13 ILE A 126 8.746 -14.151 -11.518 1.00 0.00 H +ATOM 1893 N ILE A 127 3.214 -13.480 -7.933 1.00 0.00 N +ATOM 1894 CA ILE A 127 2.079 -12.835 -7.166 1.00 0.00 C +ATOM 1895 C ILE A 127 1.654 -13.704 -5.986 1.00 0.00 C +ATOM 1896 O ILE A 127 1.449 -13.121 -4.906 1.00 0.00 O +ATOM 1897 CB ILE A 127 0.894 -12.537 -8.169 1.00 0.00 C +ATOM 1898 CG1 ILE A 127 1.266 -11.338 -9.154 1.00 0.00 C +ATOM 1899 CG2 ILE A 127 -0.430 -12.244 -7.473 1.00 0.00 C +ATOM 1900 CD1 ILE A 127 0.454 -11.354 -10.486 1.00 0.00 C +ATOM 1901 H ILE A 127 3.098 -13.685 -8.915 1.00 0.00 H +ATOM 1902 HA ILE A 127 2.494 -11.892 -6.809 1.00 0.00 H +ATOM 1903 HB ILE A 127 0.617 -13.402 -8.771 1.00 0.00 H +ATOM 1904 HG12 ILE A 127 1.141 -10.345 -8.723 1.00 0.00 H +ATOM 1905 HG13 ILE A 127 2.320 -11.297 -9.432 1.00 0.00 H +ATOM 1906 HG21 ILE A 127 -1.216 -12.266 -8.228 1.00 0.00 H +ATOM 1907 HG22 ILE A 127 -0.838 -12.889 -6.694 1.00 0.00 H +ATOM 1908 HG23 ILE A 127 -0.355 -11.240 -7.055 1.00 0.00 H +ATOM 1909 HD11 ILE A 127 1.125 -11.438 -11.342 1.00 0.00 H +ATOM 1910 HD12 ILE A 127 -0.393 -12.039 -10.460 1.00 0.00 H +ATOM 1911 HD13 ILE A 127 0.005 -10.372 -10.629 1.00 0.00 H +ATOM 1912 N ALA A 128 1.588 -15.094 -6.051 1.00 0.00 N +ATOM 1913 CA ALA A 128 1.411 -15.980 -4.874 1.00 0.00 C +ATOM 1914 C ALA A 128 2.478 -15.856 -3.818 1.00 0.00 C +ATOM 1915 O ALA A 128 2.171 -15.765 -2.629 1.00 0.00 O +ATOM 1916 CB ALA A 128 0.924 -17.471 -5.194 1.00 0.00 C +ATOM 1917 H ALA A 128 1.930 -15.523 -6.899 1.00 0.00 H +ATOM 1918 HA ALA A 128 0.645 -15.514 -4.254 1.00 0.00 H +ATOM 1919 HB1 ALA A 128 0.043 -17.639 -4.575 1.00 0.00 H +ATOM 1920 HB2 ALA A 128 0.916 -17.624 -6.273 1.00 0.00 H +ATOM 1921 HB3 ALA A 128 1.727 -18.114 -4.833 1.00 0.00 H +ATOM 1922 N ILE A 129 3.747 -15.944 -4.295 1.00 0.00 N +ATOM 1923 CA ILE A 129 4.992 -15.809 -3.524 1.00 0.00 C +ATOM 1924 C ILE A 129 4.924 -14.457 -2.713 1.00 0.00 C +ATOM 1925 O ILE A 129 5.137 -14.449 -1.497 1.00 0.00 O +ATOM 1926 CB ILE A 129 6.227 -15.734 -4.504 1.00 0.00 C +ATOM 1927 CG1 ILE A 129 6.588 -17.173 -4.993 1.00 0.00 C +ATOM 1928 CG2 ILE A 129 7.573 -15.106 -3.901 1.00 0.00 C +ATOM 1929 CD1 ILE A 129 7.588 -17.219 -6.081 1.00 0.00 C +ATOM 1930 H ILE A 129 3.958 -16.100 -5.271 1.00 0.00 H +ATOM 1931 HA ILE A 129 5.162 -16.665 -2.872 1.00 0.00 H +ATOM 1932 HB ILE A 129 6.040 -15.153 -5.407 1.00 0.00 H +ATOM 1933 HG12 ILE A 129 6.964 -17.655 -4.090 1.00 0.00 H +ATOM 1934 HG13 ILE A 129 5.734 -17.792 -5.265 1.00 0.00 H +ATOM 1935 HG21 ILE A 129 7.418 -14.050 -3.679 1.00 0.00 H +ATOM 1936 HG22 ILE A 129 7.932 -15.536 -2.966 1.00 0.00 H +ATOM 1937 HG23 ILE A 129 8.438 -15.027 -4.559 1.00 0.00 H +ATOM 1938 HD11 ILE A 129 8.605 -17.296 -5.697 1.00 0.00 H +ATOM 1939 HD12 ILE A 129 7.462 -18.131 -6.664 1.00 0.00 H +ATOM 1940 HD13 ILE A 129 7.614 -16.383 -6.780 1.00 0.00 H +ATOM 1941 N CYS A 130 4.643 -13.327 -3.397 1.00 0.00 N +ATOM 1942 CA CYS A 130 4.350 -11.994 -2.774 1.00 0.00 C +ATOM 1943 C CYS A 130 3.290 -11.964 -1.753 1.00 0.00 C +ATOM 1944 O CYS A 130 3.486 -11.424 -0.647 1.00 0.00 O +ATOM 1945 CB CYS A 130 4.103 -10.984 -3.983 1.00 0.00 C +ATOM 1946 SG CYS A 130 5.628 -10.394 -4.717 1.00 0.00 S +ATOM 1947 H CYS A 130 4.596 -13.454 -4.398 1.00 0.00 H +ATOM 1948 HA CYS A 130 5.294 -11.760 -2.283 1.00 0.00 H +ATOM 1949 HB2 CYS A 130 3.409 -11.516 -4.633 1.00 0.00 H +ATOM 1950 HB3 CYS A 130 3.690 -10.054 -3.594 1.00 0.00 H +ATOM 1951 HG CYS A 130 5.561 -11.257 -5.735 1.00 0.00 H +ATOM 1952 N TRP A 131 2.115 -12.519 -2.054 1.00 0.00 N +ATOM 1953 CA TRP A 131 1.012 -12.560 -1.114 1.00 0.00 C +ATOM 1954 C TRP A 131 1.309 -13.435 0.159 1.00 0.00 C +ATOM 1955 O TRP A 131 0.941 -12.987 1.231 1.00 0.00 O +ATOM 1956 CB TRP A 131 -0.364 -13.000 -1.705 1.00 0.00 C +ATOM 1957 CG TRP A 131 -1.252 -11.867 -2.240 1.00 0.00 C +ATOM 1958 CD1 TRP A 131 -1.572 -11.677 -3.533 1.00 0.00 C +ATOM 1959 CD2 TRP A 131 -1.920 -10.829 -1.493 1.00 0.00 C +ATOM 1960 CE2 TRP A 131 -2.593 -9.975 -2.398 1.00 0.00 C +ATOM 1961 CE3 TRP A 131 -2.044 -10.478 -0.103 1.00 0.00 C +ATOM 1962 NE1 TRP A 131 -2.202 -10.446 -3.686 1.00 0.00 N +ATOM 1963 CZ2 TRP A 131 -3.378 -8.875 -1.976 1.00 0.00 C +ATOM 1964 CZ3 TRP A 131 -2.889 -9.405 0.375 1.00 0.00 C +ATOM 1965 CH2 TRP A 131 -3.550 -8.622 -0.602 1.00 0.00 C +ATOM 1966 H TRP A 131 1.888 -12.805 -2.996 1.00 0.00 H +ATOM 1967 HA TRP A 131 0.887 -11.540 -0.750 1.00 0.00 H +ATOM 1968 HB2 TRP A 131 -0.338 -13.848 -2.390 1.00 0.00 H +ATOM 1969 HB3 TRP A 131 -0.999 -13.275 -0.862 1.00 0.00 H +ATOM 1970 HD1 TRP A 131 -1.103 -12.226 -4.336 1.00 0.00 H +ATOM 1971 HE1 TRP A 131 -2.246 -9.992 -4.587 1.00 0.00 H +ATOM 1972 HE3 TRP A 131 -1.543 -11.043 0.668 1.00 0.00 H +ATOM 1973 HZ2 TRP A 131 -3.785 -8.251 -2.758 1.00 0.00 H +ATOM 1974 HZ3 TRP A 131 -3.136 -9.242 1.414 1.00 0.00 H +ATOM 1975 HH2 TRP A 131 -4.214 -7.817 -0.326 1.00 0.00 H +ATOM 1976 N VAL A 132 1.971 -14.557 0.033 1.00 0.00 N +ATOM 1977 CA VAL A 132 2.326 -15.308 1.275 1.00 0.00 C +ATOM 1978 C VAL A 132 3.323 -14.529 2.135 1.00 0.00 C +ATOM 1979 O VAL A 132 3.023 -14.329 3.264 1.00 0.00 O +ATOM 1980 CB VAL A 132 2.869 -16.741 0.932 1.00 0.00 C +ATOM 1981 CG1 VAL A 132 4.184 -16.984 0.189 1.00 0.00 C +ATOM 1982 CG2 VAL A 132 2.629 -17.664 2.201 1.00 0.00 C +ATOM 1983 H VAL A 132 2.301 -14.876 -0.867 1.00 0.00 H +ATOM 1984 HA VAL A 132 1.427 -15.363 1.888 1.00 0.00 H +ATOM 1985 HB VAL A 132 2.113 -17.013 0.196 1.00 0.00 H +ATOM 1986 HG11 VAL A 132 4.992 -16.288 0.415 1.00 0.00 H +ATOM 1987 HG12 VAL A 132 4.592 -17.994 0.234 1.00 0.00 H +ATOM 1988 HG13 VAL A 132 3.916 -16.654 -0.815 1.00 0.00 H +ATOM 1989 HG21 VAL A 132 1.602 -17.820 2.533 1.00 0.00 H +ATOM 1990 HG22 VAL A 132 2.980 -18.679 2.013 1.00 0.00 H +ATOM 1991 HG23 VAL A 132 3.151 -17.401 3.121 1.00 0.00 H +ATOM 1992 N LEU A 133 4.363 -13.898 1.550 1.00 0.00 N +ATOM 1993 CA LEU A 133 5.318 -13.110 2.312 1.00 0.00 C +ATOM 1994 C LEU A 133 4.753 -11.909 3.043 1.00 0.00 C +ATOM 1995 O LEU A 133 5.193 -11.638 4.133 1.00 0.00 O +ATOM 1996 CB LEU A 133 6.275 -12.565 1.241 1.00 0.00 C +ATOM 1997 CG LEU A 133 7.579 -13.529 1.099 1.00 0.00 C +ATOM 1998 CD1 LEU A 133 8.362 -12.954 -0.236 1.00 0.00 C +ATOM 1999 CD2 LEU A 133 8.516 -13.525 2.288 1.00 0.00 C +ATOM 2000 H LEU A 133 4.520 -14.106 0.574 1.00 0.00 H +ATOM 2001 HA LEU A 133 5.833 -13.812 2.969 1.00 0.00 H +ATOM 2002 HB2 LEU A 133 5.668 -12.364 0.358 1.00 0.00 H +ATOM 2003 HB3 LEU A 133 6.712 -11.635 1.603 1.00 0.00 H +ATOM 2004 HG LEU A 133 7.314 -14.536 0.778 1.00 0.00 H +ATOM 2005 HD11 LEU A 133 9.430 -12.796 -0.086 1.00 0.00 H +ATOM 2006 HD12 LEU A 133 8.268 -13.726 -1.000 1.00 0.00 H +ATOM 2007 HD13 LEU A 133 7.833 -12.068 -0.586 1.00 0.00 H +ATOM 2008 HD21 LEU A 133 9.030 -12.564 2.255 1.00 0.00 H +ATOM 2009 HD22 LEU A 133 8.107 -13.466 3.297 1.00 0.00 H +ATOM 2010 HD23 LEU A 133 9.213 -14.363 2.268 1.00 0.00 H +ATOM 2011 N SER A 134 3.729 -11.203 2.376 1.00 0.00 N +ATOM 2012 CA SER A 134 2.913 -10.121 2.943 1.00 0.00 C +ATOM 2013 C SER A 134 2.199 -10.617 4.167 1.00 0.00 C +ATOM 2014 O SER A 134 2.244 -9.975 5.195 1.00 0.00 O +ATOM 2015 CB SER A 134 1.835 -9.568 1.984 1.00 0.00 C +ATOM 2016 OG SER A 134 2.548 -9.249 0.812 1.00 0.00 O +ATOM 2017 H SER A 134 3.373 -11.561 1.501 1.00 0.00 H +ATOM 2018 HA SER A 134 3.441 -9.262 3.359 1.00 0.00 H +ATOM 2019 HB2 SER A 134 1.080 -10.272 1.633 1.00 0.00 H +ATOM 2020 HB3 SER A 134 1.259 -8.721 2.357 1.00 0.00 H +ATOM 2021 HG SER A 134 2.828 -10.068 0.397 1.00 0.00 H +ATOM 2022 N PHE A 135 1.523 -11.788 4.087 1.00 0.00 N +ATOM 2023 CA PHE A 135 0.899 -12.488 5.194 1.00 0.00 C +ATOM 2024 C PHE A 135 1.834 -13.032 6.337 1.00 0.00 C +ATOM 2025 O PHE A 135 1.537 -12.772 7.489 1.00 0.00 O +ATOM 2026 CB PHE A 135 0.038 -13.782 4.701 1.00 0.00 C +ATOM 2027 CG PHE A 135 -1.401 -13.403 4.379 1.00 0.00 C +ATOM 2028 CD1 PHE A 135 -2.355 -13.303 5.452 1.00 0.00 C +ATOM 2029 CD2 PHE A 135 -1.770 -13.004 3.089 1.00 0.00 C +ATOM 2030 CE1 PHE A 135 -3.712 -12.998 5.166 1.00 0.00 C +ATOM 2031 CE2 PHE A 135 -3.124 -12.612 2.857 1.00 0.00 C +ATOM 2032 CZ PHE A 135 -4.031 -12.567 3.916 1.00 0.00 C +ATOM 2033 H PHE A 135 1.380 -12.295 3.225 1.00 0.00 H +ATOM 2034 HA PHE A 135 0.274 -11.770 5.726 1.00 0.00 H +ATOM 2035 HB2 PHE A 135 0.521 -14.258 3.847 1.00 0.00 H +ATOM 2036 HB3 PHE A 135 -0.145 -14.503 5.498 1.00 0.00 H +ATOM 2037 HD1 PHE A 135 -1.986 -13.438 6.458 1.00 0.00 H +ATOM 2038 HD2 PHE A 135 -1.088 -12.808 2.275 1.00 0.00 H +ATOM 2039 HE1 PHE A 135 -4.424 -12.826 5.959 1.00 0.00 H +ATOM 2040 HE2 PHE A 135 -3.407 -12.157 1.919 1.00 0.00 H +ATOM 2041 HZ PHE A 135 -4.969 -12.056 3.753 1.00 0.00 H +ATOM 2042 N ALA A 136 3.016 -13.539 5.981 1.00 0.00 N +ATOM 2043 CA ALA A 136 4.112 -13.890 7.016 1.00 0.00 C +ATOM 2044 C ALA A 136 4.495 -12.620 7.772 1.00 0.00 C +ATOM 2045 O ALA A 136 4.457 -12.645 8.972 1.00 0.00 O +ATOM 2046 CB ALA A 136 5.428 -14.487 6.344 1.00 0.00 C +ATOM 2047 H ALA A 136 3.287 -13.587 5.009 1.00 0.00 H +ATOM 2048 HA ALA A 136 3.801 -14.702 7.674 1.00 0.00 H +ATOM 2049 HB1 ALA A 136 5.336 -15.529 6.036 1.00 0.00 H +ATOM 2050 HB2 ALA A 136 5.600 -13.812 5.505 1.00 0.00 H +ATOM 2051 HB3 ALA A 136 6.298 -14.380 6.992 1.00 0.00 H +ATOM 2052 N ILE A 137 4.933 -11.591 7.027 1.00 0.00 N +ATOM 2053 CA ILE A 137 5.441 -10.352 7.457 1.00 0.00 C +ATOM 2054 C ILE A 137 4.385 -9.533 8.229 1.00 0.00 C +ATOM 2055 O ILE A 137 4.705 -8.936 9.289 1.00 0.00 O +ATOM 2056 CB ILE A 137 6.070 -9.594 6.282 1.00 0.00 C +ATOM 2057 CG1 ILE A 137 7.332 -10.288 5.772 1.00 0.00 C +ATOM 2058 CG2 ILE A 137 6.407 -8.099 6.636 1.00 0.00 C +ATOM 2059 CD1 ILE A 137 7.670 -9.642 4.363 1.00 0.00 C +ATOM 2060 H ILE A 137 4.815 -11.706 6.030 1.00 0.00 H +ATOM 2061 HA ILE A 137 6.242 -10.580 8.161 1.00 0.00 H +ATOM 2062 HB ILE A 137 5.272 -9.575 5.540 1.00 0.00 H +ATOM 2063 HG12 ILE A 137 8.165 -10.128 6.457 1.00 0.00 H +ATOM 2064 HG13 ILE A 137 7.156 -11.359 5.667 1.00 0.00 H +ATOM 2065 HG21 ILE A 137 6.720 -7.499 5.782 1.00 0.00 H +ATOM 2066 HG22 ILE A 137 5.532 -7.542 6.969 1.00 0.00 H +ATOM 2067 HG23 ILE A 137 7.133 -7.923 7.431 1.00 0.00 H +ATOM 2068 HD11 ILE A 137 6.982 -10.069 3.634 1.00 0.00 H +ATOM 2069 HD12 ILE A 137 7.585 -8.555 4.389 1.00 0.00 H +ATOM 2070 HD13 ILE A 137 8.644 -10.037 4.076 1.00 0.00 H +ATOM 2071 N GLY A 138 3.177 -9.500 7.731 1.00 0.00 N +ATOM 2072 CA GLY A 138 2.140 -8.621 8.292 1.00 0.00 C +ATOM 2073 C GLY A 138 1.374 -9.287 9.430 1.00 0.00 C +ATOM 2074 O GLY A 138 0.534 -8.658 10.015 1.00 0.00 O +ATOM 2075 H GLY A 138 2.955 -9.852 6.811 1.00 0.00 H +ATOM 2076 HA2 GLY A 138 2.561 -7.753 8.800 1.00 0.00 H +ATOM 2077 HA3 GLY A 138 1.505 -8.270 7.479 1.00 0.00 H +ATOM 2078 N LEU A 139 1.502 -10.585 9.638 1.00 0.00 N +ATOM 2079 CA LEU A 139 0.871 -11.268 10.787 1.00 0.00 C +ATOM 2080 C LEU A 139 1.906 -11.998 11.627 1.00 0.00 C +ATOM 2081 O LEU A 139 1.625 -12.937 12.410 1.00 0.00 O +ATOM 2082 CB LEU A 139 -0.231 -12.316 10.333 1.00 0.00 C +ATOM 2083 CG LEU A 139 -1.459 -11.711 9.751 1.00 0.00 C +ATOM 2084 CD1 LEU A 139 -2.368 -12.868 9.187 1.00 0.00 C +ATOM 2085 CD2 LEU A 139 -2.264 -10.817 10.672 1.00 0.00 C +ATOM 2086 H LEU A 139 2.085 -11.241 9.136 1.00 0.00 H +ATOM 2087 HA LEU A 139 0.438 -10.536 11.469 1.00 0.00 H +ATOM 2088 HB2 LEU A 139 0.190 -13.031 9.627 1.00 0.00 H +ATOM 2089 HB3 LEU A 139 -0.455 -12.865 11.248 1.00 0.00 H +ATOM 2090 HG LEU A 139 -1.292 -11.030 8.916 1.00 0.00 H +ATOM 2091 HD11 LEU A 139 -1.741 -13.718 8.920 1.00 0.00 H +ATOM 2092 HD12 LEU A 139 -3.236 -13.186 9.765 1.00 0.00 H +ATOM 2093 HD13 LEU A 139 -2.811 -12.517 8.254 1.00 0.00 H +ATOM 2094 HD21 LEU A 139 -1.833 -10.754 11.671 1.00 0.00 H +ATOM 2095 HD22 LEU A 139 -2.294 -9.785 10.321 1.00 0.00 H +ATOM 2096 HD23 LEU A 139 -3.250 -11.241 10.865 1.00 0.00 H +ATOM 2097 N THR A 140 3.228 -11.742 11.396 1.00 0.00 N +ATOM 2098 CA THR A 140 4.369 -12.138 12.312 1.00 0.00 C +ATOM 2099 C THR A 140 4.072 -12.140 13.846 1.00 0.00 C +ATOM 2100 O THR A 140 4.417 -13.136 14.529 1.00 0.00 O +ATOM 2101 CB THR A 140 5.645 -11.248 12.031 1.00 0.00 C +ATOM 2102 CG2 THR A 140 6.668 -11.035 13.134 1.00 0.00 C +ATOM 2103 OG1 THR A 140 6.343 -11.543 10.851 1.00 0.00 O +ATOM 2104 H THR A 140 3.446 -11.137 10.617 1.00 0.00 H +ATOM 2105 HA THR A 140 4.729 -13.156 12.161 1.00 0.00 H +ATOM 2106 HB THR A 140 5.320 -10.248 11.744 1.00 0.00 H +ATOM 2107 HG1 THR A 140 5.822 -12.159 10.331 1.00 0.00 H +ATOM 2108 HG21 THR A 140 7.054 -11.991 13.489 1.00 0.00 H +ATOM 2109 HG22 THR A 140 7.579 -10.570 12.757 1.00 0.00 H +ATOM 2110 HG23 THR A 140 6.260 -10.579 14.036 1.00 0.00 H +ATOM 2111 N PRO A 141 3.382 -11.116 14.380 1.00 0.00 N +ATOM 2112 CA PRO A 141 3.069 -11.087 15.870 1.00 0.00 C +ATOM 2113 C PRO A 141 2.213 -12.311 16.369 1.00 0.00 C +ATOM 2114 O PRO A 141 2.425 -12.816 17.482 1.00 0.00 O +ATOM 2115 CB PRO A 141 2.203 -9.817 16.048 1.00 0.00 C +ATOM 2116 CG PRO A 141 2.878 -8.893 15.068 1.00 0.00 C +ATOM 2117 CD PRO A 141 3.185 -9.776 13.818 1.00 0.00 C +ATOM 2118 HA PRO A 141 4.031 -10.956 16.366 1.00 0.00 H +ATOM 2119 HB2 PRO A 141 1.143 -9.943 15.826 1.00 0.00 H +ATOM 2120 HB3 PRO A 141 2.106 -9.479 17.079 1.00 0.00 H +ATOM 2121 HG2 PRO A 141 2.259 -8.029 14.827 1.00 0.00 H +ATOM 2122 HG3 PRO A 141 3.746 -8.514 15.608 1.00 0.00 H +ATOM 2123 HD2 PRO A 141 2.316 -9.802 13.159 1.00 0.00 H +ATOM 2124 HD3 PRO A 141 3.957 -9.400 13.147 1.00 0.00 H +ATOM 2125 N MET A 142 1.307 -12.721 15.525 1.00 0.00 N +ATOM 2126 CA MET A 142 0.534 -13.978 15.716 1.00 0.00 C +ATOM 2127 C MET A 142 1.373 -15.280 15.799 1.00 0.00 C +ATOM 2128 O MET A 142 0.857 -16.328 16.318 1.00 0.00 O +ATOM 2129 CB MET A 142 -0.680 -14.144 14.812 1.00 0.00 C +ATOM 2130 CG MET A 142 -1.808 -13.084 14.996 1.00 0.00 C +ATOM 2131 SD MET A 142 -2.788 -12.674 13.489 1.00 0.00 S +ATOM 2132 CE MET A 142 -3.716 -14.202 13.352 1.00 0.00 C +ATOM 2133 H MET A 142 1.342 -12.444 14.555 1.00 0.00 H +ATOM 2134 HA MET A 142 -0.025 -13.926 16.650 1.00 0.00 H +ATOM 2135 HB2 MET A 142 -0.443 -14.126 13.749 1.00 0.00 H +ATOM 2136 HB3 MET A 142 -1.093 -15.144 14.945 1.00 0.00 H +ATOM 2137 HG2 MET A 142 -2.615 -13.398 15.659 1.00 0.00 H +ATOM 2138 HG3 MET A 142 -1.284 -12.162 15.247 1.00 0.00 H +ATOM 2139 HE1 MET A 142 -4.101 -14.378 14.356 1.00 0.00 H +ATOM 2140 HE2 MET A 142 -4.474 -14.161 12.569 1.00 0.00 H +ATOM 2141 HE3 MET A 142 -3.115 -15.056 13.040 1.00 0.00 H +ATOM 2142 N LEU A 143 2.624 -15.278 15.285 1.00 0.00 N +ATOM 2143 CA LEU A 143 3.585 -16.395 15.332 1.00 0.00 C +ATOM 2144 C LEU A 143 4.623 -16.024 16.445 1.00 0.00 C +ATOM 2145 O LEU A 143 5.781 -16.083 16.084 1.00 0.00 O +ATOM 2146 CB LEU A 143 4.144 -16.595 13.862 1.00 0.00 C +ATOM 2147 CG LEU A 143 3.023 -16.736 12.752 1.00 0.00 C +ATOM 2148 CD1 LEU A 143 3.553 -16.539 11.421 1.00 0.00 C +ATOM 2149 CD2 LEU A 143 2.323 -18.029 12.902 1.00 0.00 C +ATOM 2150 H LEU A 143 2.952 -14.445 14.817 1.00 0.00 H +ATOM 2151 HA LEU A 143 3.065 -17.328 15.552 1.00 0.00 H +ATOM 2152 HB2 LEU A 143 4.823 -15.762 13.682 1.00 0.00 H +ATOM 2153 HB3 LEU A 143 4.825 -17.444 13.808 1.00 0.00 H +ATOM 2154 HG LEU A 143 2.261 -15.975 12.918 1.00 0.00 H +ATOM 2155 HD11 LEU A 143 3.698 -15.478 11.221 1.00 0.00 H +ATOM 2156 HD12 LEU A 143 4.555 -16.921 11.226 1.00 0.00 H +ATOM 2157 HD13 LEU A 143 2.801 -16.863 10.702 1.00 0.00 H +ATOM 2158 HD21 LEU A 143 2.507 -18.515 13.861 1.00 0.00 H +ATOM 2159 HD22 LEU A 143 1.252 -17.868 12.777 1.00 0.00 H +ATOM 2160 HD23 LEU A 143 2.604 -18.753 12.138 1.00 0.00 H +ATOM 2161 N GLY A 144 4.231 -15.839 17.722 1.00 0.00 N +ATOM 2162 CA GLY A 144 4.927 -15.802 18.987 1.00 0.00 C +ATOM 2163 C GLY A 144 5.935 -14.641 19.056 1.00 0.00 C +ATOM 2164 O GLY A 144 7.086 -14.844 19.439 1.00 0.00 O +ATOM 2165 H GLY A 144 3.243 -16.021 17.826 1.00 0.00 H +ATOM 2166 HA2 GLY A 144 4.223 -15.513 19.768 1.00 0.00 H +ATOM 2167 HA3 GLY A 144 5.363 -16.787 19.154 1.00 0.00 H +ATOM 2168 N TRP A 145 5.548 -13.491 18.499 1.00 0.00 N +ATOM 2169 CA TRP A 145 6.260 -12.214 18.726 1.00 0.00 C +ATOM 2170 C TRP A 145 5.180 -11.264 19.003 1.00 0.00 C +ATOM 2171 O TRP A 145 4.998 -10.319 18.289 1.00 0.00 O +ATOM 2172 CB TRP A 145 7.168 -11.981 17.500 1.00 0.00 C +ATOM 2173 CG TRP A 145 8.101 -10.779 17.514 1.00 0.00 C +ATOM 2174 CD1 TRP A 145 8.241 -9.849 18.491 1.00 0.00 C +ATOM 2175 CD2 TRP A 145 9.032 -10.345 16.426 1.00 0.00 C +ATOM 2176 CE2 TRP A 145 9.573 -9.132 16.799 1.00 0.00 C +ATOM 2177 CE3 TRP A 145 9.411 -10.900 15.207 1.00 0.00 C +ATOM 2178 NE1 TRP A 145 9.079 -8.881 18.054 1.00 0.00 N +ATOM 2179 CZ2 TRP A 145 10.540 -8.494 15.976 1.00 0.00 C +ATOM 2180 CZ3 TRP A 145 10.306 -10.234 14.320 1.00 0.00 C +ATOM 2181 CH2 TRP A 145 10.900 -9.033 14.742 1.00 0.00 C +ATOM 2182 H TRP A 145 4.625 -13.469 18.091 1.00 0.00 H +ATOM 2183 HA TRP A 145 6.927 -12.218 19.588 1.00 0.00 H +ATOM 2184 HB2 TRP A 145 7.749 -12.892 17.358 1.00 0.00 H +ATOM 2185 HB3 TRP A 145 6.542 -11.977 16.608 1.00 0.00 H +ATOM 2186 HD1 TRP A 145 7.761 -9.875 19.458 1.00 0.00 H +ATOM 2187 HE1 TRP A 145 9.306 -8.021 18.534 1.00 0.00 H +ATOM 2188 HE3 TRP A 145 9.085 -11.875 14.876 1.00 0.00 H +ATOM 2189 HZ2 TRP A 145 11.068 -7.584 16.217 1.00 0.00 H +ATOM 2190 HZ3 TRP A 145 10.558 -10.734 13.396 1.00 0.00 H +ATOM 2191 HH2 TRP A 145 11.651 -8.579 14.113 1.00 0.00 H +ATOM 2192 N ASN A 146 4.541 -11.329 20.181 1.00 0.00 N +ATOM 2193 CA ASN A 146 3.440 -10.503 20.782 1.00 0.00 C +ATOM 2194 C ASN A 146 3.749 -10.096 22.173 1.00 0.00 C +ATOM 2195 O ASN A 146 4.726 -10.583 22.778 1.00 0.00 O +ATOM 2196 CB ASN A 146 2.122 -11.336 20.667 1.00 0.00 C +ATOM 2197 CG ASN A 146 2.168 -12.680 21.356 1.00 0.00 C +ATOM 2198 ND2 ASN A 146 2.106 -13.798 20.583 1.00 0.00 N +ATOM 2199 OD1 ASN A 146 2.253 -12.788 22.566 1.00 0.00 O +ATOM 2200 H ASN A 146 5.007 -11.969 20.807 1.00 0.00 H +ATOM 2201 HA ASN A 146 3.440 -9.598 20.174 1.00 0.00 H +ATOM 2202 HB2 ASN A 146 1.308 -10.733 21.070 1.00 0.00 H +ATOM 2203 HB3 ASN A 146 2.005 -11.548 19.604 1.00 0.00 H +ATOM 2204 HD21 ASN A 146 1.897 -13.804 19.595 1.00 0.00 H +ATOM 2205 HD22 ASN A 146 2.174 -14.758 20.888 1.00 0.00 H +ATOM 2206 N ASN A 147 2.889 -9.204 22.662 1.00 0.00 N +ATOM 2207 CA ASN A 147 3.041 -8.672 24.042 1.00 0.00 C +ATOM 2208 C ASN A 147 2.150 -9.437 25.039 1.00 0.00 C +ATOM 2209 O ASN A 147 2.146 -9.098 26.235 1.00 0.00 O +ATOM 2210 CB ASN A 147 2.670 -7.166 24.028 1.00 0.00 C +ATOM 2211 CG ASN A 147 3.697 -6.313 23.320 1.00 0.00 C +ATOM 2212 ND2 ASN A 147 3.153 -5.208 22.873 1.00 0.00 N +ATOM 2213 OD1 ASN A 147 4.912 -6.651 23.257 1.00 0.00 O +ATOM 2214 H ASN A 147 2.048 -8.888 22.199 1.00 0.00 H +ATOM 2215 HA ASN A 147 4.100 -8.733 24.293 1.00 0.00 H +ATOM 2216 HB2 ASN A 147 1.679 -7.021 23.600 1.00 0.00 H +ATOM 2217 HB3 ASN A 147 2.668 -6.769 25.043 1.00 0.00 H +ATOM 2218 HD21 ASN A 147 2.196 -5.002 23.121 1.00 0.00 H +ATOM 2219 HD22 ASN A 147 3.686 -4.647 22.223 1.00 0.00 H +ATOM 2220 N CYS A 148 1.325 -10.393 24.532 1.00 0.00 N +ATOM 2221 CA CYS A 148 0.222 -10.909 25.340 1.00 0.00 C +ATOM 2222 C CYS A 148 0.522 -11.956 26.367 1.00 0.00 C +ATOM 2223 O CYS A 148 -0.409 -12.491 26.937 1.00 0.00 O +ATOM 2224 CB CYS A 148 -0.833 -11.471 24.375 1.00 0.00 C +ATOM 2225 SG CYS A 148 -1.545 -10.073 23.454 1.00 0.00 S +ATOM 2226 H CYS A 148 1.249 -10.642 23.557 1.00 0.00 H +ATOM 2227 HA CYS A 148 -0.175 -10.101 25.954 1.00 0.00 H +ATOM 2228 HB2 CYS A 148 -0.404 -12.133 23.623 1.00 0.00 H +ATOM 2229 HB3 CYS A 148 -1.660 -12.076 24.746 1.00 0.00 H +ATOM 2230 N GLY A 149 1.788 -12.159 26.707 1.00 0.00 N +ATOM 2231 CA GLY A 149 2.192 -12.844 27.930 1.00 0.00 C +ATOM 2232 C GLY A 149 2.087 -11.836 29.071 1.00 0.00 C +ATOM 2233 O GLY A 149 1.855 -12.264 30.185 1.00 0.00 O +ATOM 2234 H GLY A 149 2.558 -11.721 26.221 1.00 0.00 H +ATOM 2235 HA2 GLY A 149 1.559 -13.714 28.101 1.00 0.00 H +ATOM 2236 HA3 GLY A 149 3.211 -13.209 27.803 1.00 0.00 H +ATOM 2237 N GLN A 150 2.138 -10.518 28.841 1.00 0.00 N +ATOM 2238 CA GLN A 150 1.891 -9.439 29.822 1.00 0.00 C +ATOM 2239 C GLN A 150 0.653 -8.574 29.372 1.00 0.00 C +ATOM 2240 O GLN A 150 0.776 -7.477 28.800 1.00 0.00 O +ATOM 2241 CB GLN A 150 3.199 -8.575 30.028 1.00 0.00 C +ATOM 2242 CG GLN A 150 4.294 -9.109 31.011 1.00 0.00 C +ATOM 2243 CD GLN A 150 5.569 -8.188 31.040 1.00 0.00 C +ATOM 2244 NE2 GLN A 150 5.565 -7.116 31.839 1.00 0.00 N +ATOM 2245 OE1 GLN A 150 6.645 -8.463 30.499 1.00 0.00 O +ATOM 2246 H GLN A 150 2.117 -10.177 27.890 1.00 0.00 H +ATOM 2247 HA GLN A 150 1.500 -9.755 30.789 1.00 0.00 H +ATOM 2248 HB2 GLN A 150 3.686 -8.432 29.063 1.00 0.00 H +ATOM 2249 HB3 GLN A 150 2.841 -7.610 30.386 1.00 0.00 H +ATOM 2250 HG2 GLN A 150 3.891 -9.222 32.017 1.00 0.00 H +ATOM 2251 HG3 GLN A 150 4.553 -10.132 30.738 1.00 0.00 H +ATOM 2252 HE21 GLN A 150 4.777 -6.867 32.420 1.00 0.00 H +ATOM 2253 HE22 GLN A 150 6.408 -6.566 31.922 1.00 0.00 H +ATOM 2254 N PRO A 151 -0.547 -9.185 29.448 1.00 0.00 N +ATOM 2255 CA PRO A 151 -1.754 -8.396 29.184 1.00 0.00 C +ATOM 2256 C PRO A 151 -2.033 -7.295 30.217 1.00 0.00 C +ATOM 2257 O PRO A 151 -1.880 -7.579 31.420 1.00 0.00 O +ATOM 2258 CB PRO A 151 -2.820 -9.422 29.153 1.00 0.00 C +ATOM 2259 CG PRO A 151 -2.409 -10.483 30.212 1.00 0.00 C +ATOM 2260 CD PRO A 151 -0.880 -10.533 29.922 1.00 0.00 C +ATOM 2261 HA PRO A 151 -1.687 -8.044 28.155 1.00 0.00 H +ATOM 2262 HB2 PRO A 151 -3.833 -9.079 29.360 1.00 0.00 H +ATOM 2263 HB3 PRO A 151 -2.818 -9.857 28.154 1.00 0.00 H +ATOM 2264 HG2 PRO A 151 -2.650 -10.144 31.220 1.00 0.00 H +ATOM 2265 HG3 PRO A 151 -2.973 -11.396 30.019 1.00 0.00 H +ATOM 2266 HD2 PRO A 151 -0.235 -10.949 30.696 1.00 0.00 H +ATOM 2267 HD3 PRO A 151 -0.633 -11.167 29.071 1.00 0.00 H +ATOM 2268 N LYS A 152 -2.311 -6.071 29.767 1.00 0.00 N +ATOM 2269 CA LYS A 152 -2.585 -4.961 30.709 1.00 0.00 C +ATOM 2270 C LYS A 152 -4.009 -4.870 31.214 1.00 0.00 C +ATOM 2271 O LYS A 152 -4.734 -4.033 30.690 1.00 0.00 O +ATOM 2272 CB LYS A 152 -2.118 -3.698 30.066 1.00 0.00 C +ATOM 2273 CG LYS A 152 -0.622 -3.571 29.580 1.00 0.00 C +ATOM 2274 CD LYS A 152 -0.330 -2.130 28.980 1.00 0.00 C +ATOM 2275 CE LYS A 152 1.066 -2.083 28.442 1.00 0.00 C +ATOM 2276 NZ LYS A 152 1.312 -0.929 27.642 1.00 0.00 N +ATOM 2277 H LYS A 152 -2.354 -5.877 28.776 1.00 0.00 H +ATOM 2278 HA LYS A 152 -1.967 -5.163 31.584 1.00 0.00 H +ATOM 2279 HB2 LYS A 152 -2.711 -3.498 29.173 1.00 0.00 H +ATOM 2280 HB3 LYS A 152 -2.435 -2.874 30.705 1.00 0.00 H +ATOM 2281 HG2 LYS A 152 0.026 -3.838 30.414 1.00 0.00 H +ATOM 2282 HG3 LYS A 152 -0.405 -4.341 28.840 1.00 0.00 H +ATOM 2283 HD2 LYS A 152 -1.110 -1.934 28.244 1.00 0.00 H +ATOM 2284 HD3 LYS A 152 -0.436 -1.457 29.831 1.00 0.00 H +ATOM 2285 HE2 LYS A 152 1.785 -2.024 29.259 1.00 0.00 H +ATOM 2286 HE3 LYS A 152 1.254 -2.963 27.827 1.00 0.00 H +ATOM 2287 HZ1 LYS A 152 0.763 -0.879 26.796 1.00 0.00 H +ATOM 2288 HZ2 LYS A 152 1.136 -0.090 28.177 1.00 0.00 H +ATOM 2289 HZ3 LYS A 152 2.302 -0.974 27.443 1.00 0.00 H +ATOM 2290 N GLU A 153 -4.442 -5.767 32.129 1.00 0.00 N +ATOM 2291 CA GLU A 153 -5.868 -5.925 32.488 1.00 0.00 C +ATOM 2292 C GLU A 153 -6.347 -4.823 33.444 1.00 0.00 C +ATOM 2293 O GLU A 153 -7.560 -4.572 33.416 1.00 0.00 O +ATOM 2294 CB GLU A 153 -6.184 -7.355 33.114 1.00 0.00 C +ATOM 2295 CG GLU A 153 -5.856 -8.504 32.176 1.00 0.00 C +ATOM 2296 CD GLU A 153 -5.990 -9.902 32.768 1.00 0.00 C +ATOM 2297 OE1 GLU A 153 -6.371 -10.024 33.955 1.00 0.00 O +ATOM 2298 OE2 GLU A 153 -5.858 -10.914 32.082 1.00 0.00 O +ATOM 2299 H GLU A 153 -3.844 -6.412 32.624 1.00 0.00 H +ATOM 2300 HA GLU A 153 -6.512 -5.834 31.614 1.00 0.00 H +ATOM 2301 HB2 GLU A 153 -5.768 -7.544 34.104 1.00 0.00 H +ATOM 2302 HB3 GLU A 153 -7.260 -7.371 33.283 1.00 0.00 H +ATOM 2303 HG2 GLU A 153 -6.562 -8.462 31.346 1.00 0.00 H +ATOM 2304 HG3 GLU A 153 -4.898 -8.457 31.660 1.00 0.00 H +ATOM 2305 N GLY A 154 -5.423 -4.113 34.077 1.00 0.00 N +ATOM 2306 CA GLY A 154 -5.659 -2.867 34.835 1.00 0.00 C +ATOM 2307 C GLY A 154 -6.501 -1.790 34.134 1.00 0.00 C +ATOM 2308 O GLY A 154 -7.515 -1.341 34.708 1.00 0.00 O +ATOM 2309 H GLY A 154 -4.488 -4.324 33.758 1.00 0.00 H +ATOM 2310 HA2 GLY A 154 -6.277 -3.222 35.660 1.00 0.00 H +ATOM 2311 HA3 GLY A 154 -4.752 -2.394 35.212 1.00 0.00 H +ATOM 2312 N LYS A 155 -6.177 -1.454 32.847 1.00 0.00 N +ATOM 2313 CA LYS A 155 -6.885 -0.518 31.985 1.00 0.00 C +ATOM 2314 C LYS A 155 -8.225 -1.110 31.558 1.00 0.00 C +ATOM 2315 O LYS A 155 -9.161 -0.344 31.213 1.00 0.00 O +ATOM 2316 CB LYS A 155 -6.034 -0.322 30.721 1.00 0.00 C +ATOM 2317 CG LYS A 155 -4.492 0.051 30.885 1.00 0.00 C +ATOM 2318 CD LYS A 155 -3.587 -0.172 29.632 1.00 0.00 C +ATOM 2319 CE LYS A 155 -3.860 0.981 28.583 1.00 0.00 C +ATOM 2320 NZ LYS A 155 -2.802 0.932 27.644 1.00 0.00 N +ATOM 2321 H LYS A 155 -5.432 -1.953 32.382 1.00 0.00 H +ATOM 2322 HA LYS A 155 -6.871 0.452 32.483 1.00 0.00 H +ATOM 2323 HB2 LYS A 155 -6.115 -1.337 30.332 1.00 0.00 H +ATOM 2324 HB3 LYS A 155 -6.527 0.365 30.033 1.00 0.00 H +ATOM 2325 HG2 LYS A 155 -4.438 1.123 31.073 1.00 0.00 H +ATOM 2326 HG3 LYS A 155 -4.079 -0.582 31.671 1.00 0.00 H +ATOM 2327 HD2 LYS A 155 -2.524 -0.069 29.851 1.00 0.00 H +ATOM 2328 HD3 LYS A 155 -3.817 -1.134 29.175 1.00 0.00 H +ATOM 2329 HE2 LYS A 155 -4.770 0.720 28.044 1.00 0.00 H +ATOM 2330 HE3 LYS A 155 -3.955 1.983 29.003 1.00 0.00 H +ATOM 2331 HZ1 LYS A 155 -2.813 0.173 26.978 1.00 0.00 H +ATOM 2332 HZ2 LYS A 155 -2.843 1.704 26.995 1.00 0.00 H +ATOM 2333 HZ3 LYS A 155 -1.912 1.042 28.108 1.00 0.00 H +ATOM 2334 N ALA A 156 -8.413 -2.430 31.546 1.00 0.00 N +ATOM 2335 CA ALA A 156 -9.682 -3.063 31.104 1.00 0.00 C +ATOM 2336 C ALA A 156 -10.673 -3.092 32.257 1.00 0.00 C +ATOM 2337 O ALA A 156 -11.879 -3.115 31.991 1.00 0.00 O +ATOM 2338 CB ALA A 156 -9.479 -4.502 30.743 1.00 0.00 C +ATOM 2339 H ALA A 156 -7.695 -3.139 31.601 1.00 0.00 H +ATOM 2340 HA ALA A 156 -10.089 -2.430 30.316 1.00 0.00 H +ATOM 2341 HB1 ALA A 156 -9.450 -5.110 31.648 1.00 0.00 H +ATOM 2342 HB2 ALA A 156 -10.152 -4.867 29.967 1.00 0.00 H +ATOM 2343 HB3 ALA A 156 -8.503 -4.516 30.257 1.00 0.00 H +ATOM 2344 N HIS A 157 -10.172 -3.147 33.465 1.00 0.00 N +ATOM 2345 CA HIS A 157 -10.988 -3.346 34.730 1.00 0.00 C +ATOM 2346 C HIS A 157 -11.774 -2.016 35.010 1.00 0.00 C +ATOM 2347 O HIS A 157 -12.977 -2.007 35.177 1.00 0.00 O +ATOM 2348 CB HIS A 157 -10.144 -3.798 35.955 1.00 0.00 C +ATOM 2349 CG HIS A 157 -9.918 -5.275 36.043 1.00 0.00 C +ATOM 2350 CD2 HIS A 157 -8.730 -5.993 36.081 1.00 0.00 C +ATOM 2351 ND1 HIS A 157 -11.010 -6.148 35.998 1.00 0.00 N +ATOM 2352 CE1 HIS A 157 -10.406 -7.353 36.007 1.00 0.00 C +ATOM 2353 NE2 HIS A 157 -9.063 -7.296 36.191 1.00 0.00 N +ATOM 2354 H HIS A 157 -9.195 -3.026 33.691 1.00 0.00 H +ATOM 2355 HA HIS A 157 -11.752 -4.081 34.476 1.00 0.00 H +ATOM 2356 HB2 HIS A 157 -9.220 -3.244 36.120 1.00 0.00 H +ATOM 2357 HB3 HIS A 157 -10.758 -3.573 36.827 1.00 0.00 H +ATOM 2358 HD2 HIS A 157 -7.710 -5.644 36.015 1.00 0.00 H +ATOM 2359 HE1 HIS A 157 -10.810 -8.326 35.768 1.00 0.00 H +ATOM 2360 HE2 HIS A 157 -8.386 -8.046 36.207 1.00 0.00 H +ATOM 2361 N SER A 158 -11.003 -0.860 35.079 1.00 0.00 N +ATOM 2362 CA SER A 158 -11.584 0.469 34.958 1.00 0.00 C +ATOM 2363 C SER A 158 -12.518 0.737 33.716 1.00 0.00 C +ATOM 2364 O SER A 158 -13.414 1.551 33.934 1.00 0.00 O +ATOM 2365 CB SER A 158 -10.447 1.517 34.990 1.00 0.00 C +ATOM 2366 OG SER A 158 -9.340 1.272 34.157 1.00 0.00 O +ATOM 2367 H SER A 158 -10.021 -0.938 34.854 1.00 0.00 H +ATOM 2368 HA SER A 158 -12.176 0.627 35.860 1.00 0.00 H +ATOM 2369 HB2 SER A 158 -10.720 2.504 34.617 1.00 0.00 H +ATOM 2370 HB3 SER A 158 -10.189 1.766 36.019 1.00 0.00 H +ATOM 2371 HG SER A 158 -8.579 1.476 34.705 1.00 0.00 H +ATOM 2372 N GLN A 159 -12.288 0.166 32.515 1.00 0.00 N +ATOM 2373 CA GLN A 159 -13.306 0.307 31.462 1.00 0.00 C +ATOM 2374 C GLN A 159 -14.587 -0.478 31.793 1.00 0.00 C +ATOM 2375 O GLN A 159 -15.638 -0.065 31.361 1.00 0.00 O +ATOM 2376 CB GLN A 159 -12.746 -0.070 30.076 1.00 0.00 C +ATOM 2377 CG GLN A 159 -11.793 0.968 29.462 1.00 0.00 C +ATOM 2378 CD GLN A 159 -11.476 0.758 27.955 1.00 0.00 C +ATOM 2379 NE2 GLN A 159 -11.712 -0.483 27.483 1.00 0.00 N +ATOM 2380 OE1 GLN A 159 -11.187 1.679 27.187 1.00 0.00 O +ATOM 2381 H GLN A 159 -11.654 -0.614 32.414 1.00 0.00 H +ATOM 2382 HA GLN A 159 -13.618 1.341 31.311 1.00 0.00 H +ATOM 2383 HB2 GLN A 159 -12.184 -1.001 30.158 1.00 0.00 H +ATOM 2384 HB3 GLN A 159 -13.614 -0.297 29.456 1.00 0.00 H +ATOM 2385 HG2 GLN A 159 -12.239 1.951 29.620 1.00 0.00 H +ATOM 2386 HG3 GLN A 159 -10.863 0.976 30.031 1.00 0.00 H +ATOM 2387 HE21 GLN A 159 -12.089 -1.249 28.022 1.00 0.00 H +ATOM 2388 HE22 GLN A 159 -11.537 -0.738 26.521 1.00 0.00 H +ATOM 2389 N GLY A 160 -14.501 -1.672 32.453 1.00 0.00 N +ATOM 2390 CA GLY A 160 -15.659 -2.561 32.920 1.00 0.00 C +ATOM 2391 C GLY A 160 -15.685 -3.841 32.098 1.00 0.00 C +ATOM 2392 O GLY A 160 -16.677 -4.464 32.118 1.00 0.00 O +ATOM 2393 H GLY A 160 -13.589 -2.070 32.622 1.00 0.00 H +ATOM 2394 HA2 GLY A 160 -15.721 -2.763 33.990 1.00 0.00 H +ATOM 2395 HA3 GLY A 160 -16.563 -1.978 32.744 1.00 0.00 H +ATOM 2396 N CYS A 161 -14.572 -4.154 31.437 1.00 0.00 N +ATOM 2397 CA CYS A 161 -14.487 -5.351 30.643 1.00 0.00 C +ATOM 2398 C CYS A 161 -14.494 -6.642 31.413 1.00 0.00 C +ATOM 2399 O CYS A 161 -14.248 -6.654 32.609 1.00 0.00 O +ATOM 2400 CB CYS A 161 -13.151 -5.317 29.776 1.00 0.00 C +ATOM 2401 SG CYS A 161 -12.965 -3.865 28.699 1.00 0.00 S +ATOM 2402 H CYS A 161 -13.720 -3.625 31.560 1.00 0.00 H +ATOM 2403 HA CYS A 161 -15.323 -5.351 29.945 1.00 0.00 H +ATOM 2404 HB2 CYS A 161 -12.360 -5.343 30.525 1.00 0.00 H +ATOM 2405 HB3 CYS A 161 -12.960 -6.213 29.185 1.00 0.00 H +ATOM 2406 N GLY A 162 -14.848 -7.752 30.792 1.00 0.00 N +ATOM 2407 CA GLY A 162 -14.839 -9.084 31.370 1.00 0.00 C +ATOM 2408 C GLY A 162 -13.485 -9.590 31.753 1.00 0.00 C +ATOM 2409 O GLY A 162 -12.475 -9.097 31.282 1.00 0.00 O +ATOM 2410 H GLY A 162 -14.943 -7.695 29.788 1.00 0.00 H +ATOM 2411 HA2 GLY A 162 -15.669 -9.146 32.075 1.00 0.00 H +ATOM 2412 HA3 GLY A 162 -15.142 -9.857 30.664 1.00 0.00 H +ATOM 2413 N GLU A 163 -13.499 -10.642 32.615 1.00 0.00 N +ATOM 2414 CA GLU A 163 -12.270 -11.348 33.013 1.00 0.00 C +ATOM 2415 C GLU A 163 -11.574 -11.888 31.725 1.00 0.00 C +ATOM 2416 O GLU A 163 -12.343 -12.370 30.865 1.00 0.00 O +ATOM 2417 CB GLU A 163 -12.595 -12.386 34.089 1.00 0.00 C +ATOM 2418 CG GLU A 163 -13.148 -11.711 35.382 1.00 0.00 C +ATOM 2419 CD GLU A 163 -13.318 -12.783 36.411 1.00 0.00 C +ATOM 2420 OE1 GLU A 163 -12.346 -13.168 37.085 1.00 0.00 O +ATOM 2421 OE2 GLU A 163 -14.432 -13.406 36.474 1.00 0.00 O +ATOM 2422 H GLU A 163 -14.351 -10.998 33.024 1.00 0.00 H +ATOM 2423 HA GLU A 163 -11.513 -10.723 33.486 1.00 0.00 H +ATOM 2424 HB2 GLU A 163 -13.188 -13.167 33.613 1.00 0.00 H +ATOM 2425 HB3 GLU A 163 -11.767 -13.066 34.282 1.00 0.00 H +ATOM 2426 HG2 GLU A 163 -12.569 -10.852 35.722 1.00 0.00 H +ATOM 2427 HG3 GLU A 163 -14.105 -11.254 35.129 1.00 0.00 H +ATOM 2428 N GLY A 164 -10.226 -11.953 31.561 1.00 0.00 N +ATOM 2429 CA GLY A 164 -9.519 -12.513 30.385 1.00 0.00 C +ATOM 2430 C GLY A 164 -9.382 -11.493 29.266 1.00 0.00 C +ATOM 2431 O GLY A 164 -9.115 -11.939 28.109 1.00 0.00 O +ATOM 2432 H GLY A 164 -9.657 -11.444 32.222 1.00 0.00 H +ATOM 2433 HA2 GLY A 164 -8.552 -12.883 30.727 1.00 0.00 H +ATOM 2434 HA3 GLY A 164 -10.060 -13.341 29.927 1.00 0.00 H +ATOM 2435 N GLN A 165 -9.672 -10.207 29.397 1.00 0.00 N +ATOM 2436 CA GLN A 165 -9.806 -9.282 28.305 1.00 0.00 C +ATOM 2437 C GLN A 165 -8.795 -8.108 28.538 1.00 0.00 C +ATOM 2438 O GLN A 165 -8.670 -7.640 29.623 1.00 0.00 O +ATOM 2439 CB GLN A 165 -11.282 -8.734 28.238 1.00 0.00 C +ATOM 2440 CG GLN A 165 -12.237 -9.895 27.676 1.00 0.00 C +ATOM 2441 CD GLN A 165 -13.700 -9.439 27.624 1.00 0.00 C +ATOM 2442 NE2 GLN A 165 -14.499 -10.178 26.858 1.00 0.00 N +ATOM 2443 OE1 GLN A 165 -14.145 -8.421 28.078 1.00 0.00 O +ATOM 2444 H GLN A 165 -9.977 -9.841 30.288 1.00 0.00 H +ATOM 2445 HA GLN A 165 -9.642 -9.705 27.314 1.00 0.00 H +ATOM 2446 HB2 GLN A 165 -11.503 -8.222 29.175 1.00 0.00 H +ATOM 2447 HB3 GLN A 165 -11.244 -7.757 27.757 1.00 0.00 H +ATOM 2448 HG2 GLN A 165 -11.960 -10.244 26.681 1.00 0.00 H +ATOM 2449 HG3 GLN A 165 -12.151 -10.776 28.312 1.00 0.00 H +ATOM 2450 HE21 GLN A 165 -14.164 -10.973 26.333 1.00 0.00 H +ATOM 2451 HE22 GLN A 165 -15.501 -10.051 26.857 1.00 0.00 H +ATOM 2452 N VAL A 166 -8.206 -7.547 27.507 1.00 0.00 N +ATOM 2453 CA VAL A 166 -7.660 -6.146 27.603 1.00 0.00 C +ATOM 2454 C VAL A 166 -8.578 -5.137 26.895 1.00 0.00 C +ATOM 2455 O VAL A 166 -9.426 -5.490 26.097 1.00 0.00 O +ATOM 2456 CB VAL A 166 -6.317 -6.098 26.824 1.00 0.00 C +ATOM 2457 CG1 VAL A 166 -5.302 -7.012 27.592 1.00 0.00 C +ATOM 2458 CG2 VAL A 166 -6.339 -6.497 25.396 1.00 0.00 C +ATOM 2459 H VAL A 166 -8.446 -8.003 26.639 1.00 0.00 H +ATOM 2460 HA VAL A 166 -7.597 -5.730 28.608 1.00 0.00 H +ATOM 2461 HB VAL A 166 -5.975 -5.063 26.813 1.00 0.00 H +ATOM 2462 HG11 VAL A 166 -5.710 -7.948 27.974 1.00 0.00 H +ATOM 2463 HG12 VAL A 166 -4.350 -7.270 27.128 1.00 0.00 H +ATOM 2464 HG13 VAL A 166 -4.940 -6.489 28.478 1.00 0.00 H +ATOM 2465 HG21 VAL A 166 -5.283 -6.633 25.165 1.00 0.00 H +ATOM 2466 HG22 VAL A 166 -6.751 -7.480 25.167 1.00 0.00 H +ATOM 2467 HG23 VAL A 166 -6.671 -5.679 24.756 1.00 0.00 H +ATOM 2468 N ALA A 167 -8.208 -3.884 27.053 1.00 0.00 N +ATOM 2469 CA ALA A 167 -8.585 -2.712 26.259 1.00 0.00 C +ATOM 2470 C ALA A 167 -7.756 -2.735 25.022 1.00 0.00 C +ATOM 2471 O ALA A 167 -6.476 -2.600 25.111 1.00 0.00 O +ATOM 2472 CB ALA A 167 -8.399 -1.374 26.918 1.00 0.00 C +ATOM 2473 H ALA A 167 -7.374 -3.632 27.564 1.00 0.00 H +ATOM 2474 HA ALA A 167 -9.626 -2.694 25.937 1.00 0.00 H +ATOM 2475 HB1 ALA A 167 -8.664 -0.522 26.293 1.00 0.00 H +ATOM 2476 HB2 ALA A 167 -8.975 -1.211 27.829 1.00 0.00 H +ATOM 2477 HB3 ALA A 167 -7.394 -1.204 27.303 1.00 0.00 H +ATOM 2478 N CYS A 168 -8.369 -3.200 23.944 1.00 0.00 N +ATOM 2479 CA CYS A 168 -7.754 -3.581 22.702 1.00 0.00 C +ATOM 2480 C CYS A 168 -7.324 -2.323 21.897 1.00 0.00 C +ATOM 2481 O CYS A 168 -8.173 -1.655 21.378 1.00 0.00 O +ATOM 2482 CB CYS A 168 -8.766 -4.358 21.900 1.00 0.00 C +ATOM 2483 SG CYS A 168 -8.293 -4.823 20.232 1.00 0.00 S +ATOM 2484 H CYS A 168 -9.370 -3.338 23.931 1.00 0.00 H +ATOM 2485 HA CYS A 168 -6.841 -4.130 22.936 1.00 0.00 H +ATOM 2486 HB2 CYS A 168 -8.874 -5.374 22.279 1.00 0.00 H +ATOM 2487 HB3 CYS A 168 -9.719 -3.851 21.748 1.00 0.00 H +ATOM 2488 N LEU A 169 -6.077 -1.939 21.895 1.00 0.00 N +ATOM 2489 CA LEU A 169 -5.309 -0.885 21.331 1.00 0.00 C +ATOM 2490 C LEU A 169 -4.115 -1.602 20.648 1.00 0.00 C +ATOM 2491 O LEU A 169 -3.471 -2.511 21.125 1.00 0.00 O +ATOM 2492 CB LEU A 169 -4.877 0.051 22.462 1.00 0.00 C +ATOM 2493 CG LEU A 169 -5.920 0.928 23.111 1.00 0.00 C +ATOM 2494 CD1 LEU A 169 -5.413 1.363 24.509 1.00 0.00 C +ATOM 2495 CD2 LEU A 169 -6.331 2.087 22.227 1.00 0.00 C +ATOM 2496 H LEU A 169 -5.375 -2.617 22.156 1.00 0.00 H +ATOM 2497 HA LEU A 169 -5.964 -0.351 20.642 1.00 0.00 H +ATOM 2498 HB2 LEU A 169 -4.451 -0.677 23.152 1.00 0.00 H +ATOM 2499 HB3 LEU A 169 -3.999 0.684 22.330 1.00 0.00 H +ATOM 2500 HG LEU A 169 -6.815 0.334 23.299 1.00 0.00 H +ATOM 2501 HD11 LEU A 169 -4.663 0.705 24.947 1.00 0.00 H +ATOM 2502 HD12 LEU A 169 -4.873 2.306 24.425 1.00 0.00 H +ATOM 2503 HD13 LEU A 169 -6.233 1.533 25.207 1.00 0.00 H +ATOM 2504 HD21 LEU A 169 -7.370 2.099 21.897 1.00 0.00 H +ATOM 2505 HD22 LEU A 169 -6.190 3.066 22.685 1.00 0.00 H +ATOM 2506 HD23 LEU A 169 -5.758 2.172 21.303 1.00 0.00 H +ATOM 2507 N PHE A 170 -3.708 -1.055 19.493 1.00 0.00 N +ATOM 2508 CA PHE A 170 -2.577 -1.508 18.660 1.00 0.00 C +ATOM 2509 C PHE A 170 -1.283 -1.763 19.457 1.00 0.00 C +ATOM 2510 O PHE A 170 -0.864 -2.908 19.652 1.00 0.00 O +ATOM 2511 CB PHE A 170 -2.375 -0.452 17.584 1.00 0.00 C +ATOM 2512 CG PHE A 170 -1.456 -0.673 16.427 1.00 0.00 C +ATOM 2513 CD1 PHE A 170 -0.124 -0.503 16.659 1.00 0.00 C +ATOM 2514 CD2 PHE A 170 -1.904 -1.141 15.210 1.00 0.00 C +ATOM 2515 CE1 PHE A 170 0.725 -0.714 15.619 1.00 0.00 C +ATOM 2516 CE2 PHE A 170 -1.070 -1.499 14.160 1.00 0.00 C +ATOM 2517 CZ PHE A 170 0.288 -1.248 14.437 1.00 0.00 C +ATOM 2518 H PHE A 170 -4.128 -0.180 19.214 1.00 0.00 H +ATOM 2519 HA PHE A 170 -2.939 -2.451 18.250 1.00 0.00 H +ATOM 2520 HB2 PHE A 170 -3.361 -0.255 17.163 1.00 0.00 H +ATOM 2521 HB3 PHE A 170 -2.101 0.465 18.105 1.00 0.00 H +ATOM 2522 HD1 PHE A 170 0.225 -0.183 17.629 1.00 0.00 H +ATOM 2523 HD2 PHE A 170 -2.935 -1.269 14.914 1.00 0.00 H +ATOM 2524 HE1 PHE A 170 1.793 -0.628 15.754 1.00 0.00 H +ATOM 2525 HE2 PHE A 170 -1.475 -1.756 13.192 1.00 0.00 H +ATOM 2526 HZ PHE A 170 0.924 -1.591 13.634 1.00 0.00 H +ATOM 2527 N GLU A 171 -0.674 -0.692 19.966 1.00 0.00 N +ATOM 2528 CA GLU A 171 0.642 -0.640 20.624 1.00 0.00 C +ATOM 2529 C GLU A 171 0.800 -1.541 21.796 1.00 0.00 C +ATOM 2530 O GLU A 171 1.918 -2.031 21.968 1.00 0.00 O +ATOM 2531 CB GLU A 171 0.934 0.790 21.014 1.00 0.00 C +ATOM 2532 CG GLU A 171 1.394 1.703 19.810 1.00 0.00 C +ATOM 2533 CD GLU A 171 1.837 3.130 20.331 1.00 0.00 C +ATOM 2534 OE1 GLU A 171 2.717 3.210 21.248 1.00 0.00 O +ATOM 2535 OE2 GLU A 171 1.343 4.120 19.762 1.00 0.00 O +ATOM 2536 H GLU A 171 -1.032 0.251 19.930 1.00 0.00 H +ATOM 2537 HA GLU A 171 1.347 -0.959 19.856 1.00 0.00 H +ATOM 2538 HB2 GLU A 171 0.046 1.274 21.421 1.00 0.00 H +ATOM 2539 HB3 GLU A 171 1.628 0.822 21.854 1.00 0.00 H +ATOM 2540 HG2 GLU A 171 2.289 1.354 19.294 1.00 0.00 H +ATOM 2541 HG3 GLU A 171 0.616 1.818 19.056 1.00 0.00 H +ATOM 2542 N ASP A 172 -0.352 -1.822 22.473 1.00 0.00 N +ATOM 2543 CA ASP A 172 -0.318 -2.690 23.645 1.00 0.00 C +ATOM 2544 C ASP A 172 -0.188 -4.176 23.273 1.00 0.00 C +ATOM 2545 O ASP A 172 0.209 -4.918 24.127 1.00 0.00 O +ATOM 2546 CB ASP A 172 -1.492 -2.471 24.650 1.00 0.00 C +ATOM 2547 CG ASP A 172 -1.529 -0.986 25.161 1.00 0.00 C +ATOM 2548 OD1 ASP A 172 -0.458 -0.486 25.499 1.00 0.00 O +ATOM 2549 OD2 ASP A 172 -2.660 -0.475 25.337 1.00 0.00 O +ATOM 2550 H ASP A 172 -1.191 -1.296 22.274 1.00 0.00 H +ATOM 2551 HA ASP A 172 0.504 -2.408 24.303 1.00 0.00 H +ATOM 2552 HB2 ASP A 172 -2.499 -2.558 24.240 1.00 0.00 H +ATOM 2553 HB3 ASP A 172 -1.402 -3.101 25.535 1.00 0.00 H +ATOM 2554 N VAL A 173 -0.551 -4.618 22.047 1.00 0.00 N +ATOM 2555 CA VAL A 173 -0.687 -6.017 21.720 1.00 0.00 C +ATOM 2556 C VAL A 173 0.443 -6.453 20.712 1.00 0.00 C +ATOM 2557 O VAL A 173 0.951 -7.603 20.782 1.00 0.00 O +ATOM 2558 CB VAL A 173 -2.107 -6.367 21.214 1.00 0.00 C +ATOM 2559 CG1 VAL A 173 -3.276 -6.168 22.185 1.00 0.00 C +ATOM 2560 CG2 VAL A 173 -2.394 -5.698 19.912 1.00 0.00 C +ATOM 2561 H VAL A 173 -0.916 -3.895 21.443 1.00 0.00 H +ATOM 2562 HA VAL A 173 -0.579 -6.697 22.565 1.00 0.00 H +ATOM 2563 HB VAL A 173 -2.056 -7.448 21.087 1.00 0.00 H +ATOM 2564 HG11 VAL A 173 -3.973 -7.005 22.179 1.00 0.00 H +ATOM 2565 HG12 VAL A 173 -2.873 -6.132 23.197 1.00 0.00 H +ATOM 2566 HG13 VAL A 173 -3.749 -5.193 22.068 1.00 0.00 H +ATOM 2567 HG21 VAL A 173 -1.798 -5.958 19.037 1.00 0.00 H +ATOM 2568 HG22 VAL A 173 -3.365 -5.937 19.479 1.00 0.00 H +ATOM 2569 HG23 VAL A 173 -2.484 -4.613 19.863 1.00 0.00 H +ATOM 2570 N VAL A 174 0.871 -5.485 19.896 1.00 0.00 N +ATOM 2571 CA VAL A 174 1.954 -5.582 18.828 1.00 0.00 C +ATOM 2572 C VAL A 174 3.212 -4.897 19.383 1.00 0.00 C +ATOM 2573 O VAL A 174 3.054 -3.756 19.765 1.00 0.00 O +ATOM 2574 CB VAL A 174 1.563 -4.863 17.518 1.00 0.00 C +ATOM 2575 CG1 VAL A 174 2.591 -4.417 16.411 1.00 0.00 C +ATOM 2576 CG2 VAL A 174 0.511 -5.661 16.754 1.00 0.00 C +ATOM 2577 H VAL A 174 0.306 -4.652 19.985 1.00 0.00 H +ATOM 2578 HA VAL A 174 2.088 -6.627 18.548 1.00 0.00 H +ATOM 2579 HB VAL A 174 1.155 -3.913 17.864 1.00 0.00 H +ATOM 2580 HG11 VAL A 174 3.001 -5.283 15.892 1.00 0.00 H +ATOM 2581 HG12 VAL A 174 2.231 -3.690 15.683 1.00 0.00 H +ATOM 2582 HG13 VAL A 174 3.463 -3.986 16.904 1.00 0.00 H +ATOM 2583 HG21 VAL A 174 -0.225 -5.817 17.542 1.00 0.00 H +ATOM 2584 HG22 VAL A 174 0.166 -5.095 15.889 1.00 0.00 H +ATOM 2585 HG23 VAL A 174 0.735 -6.705 16.535 1.00 0.00 H +ATOM 2586 N PRO A 175 4.360 -5.599 19.443 1.00 0.00 N +ATOM 2587 CA PRO A 175 5.572 -4.962 19.959 1.00 0.00 C +ATOM 2588 C PRO A 175 6.150 -3.929 18.996 1.00 0.00 C +ATOM 2589 O PRO A 175 6.162 -4.195 17.838 1.00 0.00 O +ATOM 2590 CB PRO A 175 6.512 -6.077 20.291 1.00 0.00 C +ATOM 2591 CG PRO A 175 5.981 -7.248 19.541 1.00 0.00 C +ATOM 2592 CD PRO A 175 4.557 -7.066 19.266 1.00 0.00 C +ATOM 2593 HA PRO A 175 5.313 -4.512 20.917 1.00 0.00 H +ATOM 2594 HB2 PRO A 175 7.544 -5.836 20.038 1.00 0.00 H +ATOM 2595 HB3 PRO A 175 6.458 -6.296 21.357 1.00 0.00 H +ATOM 2596 HG2 PRO A 175 6.430 -7.346 18.552 1.00 0.00 H +ATOM 2597 HG3 PRO A 175 6.218 -8.171 20.070 1.00 0.00 H +ATOM 2598 HD2 PRO A 175 4.226 -7.327 18.261 1.00 0.00 H +ATOM 2599 HD3 PRO A 175 3.928 -7.647 19.941 1.00 0.00 H +ATOM 2600 N MET A 176 6.733 -2.829 19.519 1.00 0.00 N +ATOM 2601 CA MET A 176 7.218 -1.679 18.771 1.00 0.00 C +ATOM 2602 C MET A 176 8.566 -1.968 18.166 1.00 0.00 C +ATOM 2603 O MET A 176 8.990 -1.316 17.225 1.00 0.00 O +ATOM 2604 CB MET A 176 7.201 -0.416 19.641 1.00 0.00 C +ATOM 2605 CG MET A 176 7.445 0.900 18.887 1.00 0.00 C +ATOM 2606 SD MET A 176 6.374 1.488 17.519 1.00 0.00 S +ATOM 2607 CE MET A 176 5.021 2.167 18.455 1.00 0.00 C +ATOM 2608 H MET A 176 6.744 -2.726 20.524 1.00 0.00 H +ATOM 2609 HA MET A 176 6.594 -1.386 17.926 1.00 0.00 H +ATOM 2610 HB2 MET A 176 6.189 -0.325 20.034 1.00 0.00 H +ATOM 2611 HB3 MET A 176 7.849 -0.527 20.510 1.00 0.00 H +ATOM 2612 HG2 MET A 176 7.465 1.764 19.552 1.00 0.00 H +ATOM 2613 HG3 MET A 176 8.444 0.878 18.453 1.00 0.00 H +ATOM 2614 HE1 MET A 176 4.927 1.306 19.117 1.00 0.00 H +ATOM 2615 HE2 MET A 176 5.229 3.118 18.944 1.00 0.00 H +ATOM 2616 HE3 MET A 176 4.172 2.265 17.778 1.00 0.00 H +ATOM 2617 N ASN A 177 9.203 -3.055 18.643 1.00 0.00 N +ATOM 2618 CA ASN A 177 10.567 -3.454 18.071 1.00 0.00 C +ATOM 2619 C ASN A 177 10.335 -4.225 16.758 1.00 0.00 C +ATOM 2620 O ASN A 177 11.199 -4.097 15.872 1.00 0.00 O +ATOM 2621 CB ASN A 177 11.342 -4.252 19.142 1.00 0.00 C +ATOM 2622 CG ASN A 177 10.672 -5.478 19.794 1.00 0.00 C +ATOM 2623 ND2 ASN A 177 11.015 -5.604 21.033 1.00 0.00 N +ATOM 2624 OD1 ASN A 177 9.754 -6.166 19.337 1.00 0.00 O +ATOM 2625 H ASN A 177 8.672 -3.613 19.296 1.00 0.00 H +ATOM 2626 HA ASN A 177 11.179 -2.569 17.895 1.00 0.00 H +ATOM 2627 HB2 ASN A 177 12.248 -4.702 18.736 1.00 0.00 H +ATOM 2628 HB3 ASN A 177 11.601 -3.512 19.899 1.00 0.00 H +ATOM 2629 HD21 ASN A 177 11.647 -4.891 21.368 1.00 0.00 H +ATOM 2630 HD22 ASN A 177 10.509 -6.103 21.750 1.00 0.00 H +ATOM 2631 N TYR A 178 9.189 -4.924 16.622 1.00 0.00 N +ATOM 2632 CA TYR A 178 8.797 -5.465 15.313 1.00 0.00 C +ATOM 2633 C TYR A 178 8.429 -4.315 14.407 1.00 0.00 C +ATOM 2634 O TYR A 178 8.702 -4.344 13.209 1.00 0.00 O +ATOM 2635 CB TYR A 178 7.564 -6.372 15.580 1.00 0.00 C +ATOM 2636 CG TYR A 178 6.664 -6.577 14.353 1.00 0.00 C +ATOM 2637 CD1 TYR A 178 6.945 -7.504 13.382 1.00 0.00 C +ATOM 2638 CD2 TYR A 178 5.487 -5.838 14.276 1.00 0.00 C +ATOM 2639 CE1 TYR A 178 6.164 -7.556 12.198 1.00 0.00 C +ATOM 2640 CE2 TYR A 178 4.614 -5.989 13.152 1.00 0.00 C +ATOM 2641 CZ TYR A 178 5.017 -6.782 12.070 1.00 0.00 C +ATOM 2642 OH TYR A 178 4.121 -6.960 11.061 1.00 0.00 O +ATOM 2643 H TYR A 178 8.503 -4.843 17.359 1.00 0.00 H +ATOM 2644 HA TYR A 178 9.613 -6.100 14.968 1.00 0.00 H +ATOM 2645 HB2 TYR A 178 7.980 -7.340 15.858 1.00 0.00 H +ATOM 2646 HB3 TYR A 178 7.051 -6.125 16.510 1.00 0.00 H +ATOM 2647 HD1 TYR A 178 7.826 -8.128 13.430 1.00 0.00 H +ATOM 2648 HD2 TYR A 178 5.155 -5.144 15.033 1.00 0.00 H +ATOM 2649 HE1 TYR A 178 6.460 -8.318 11.492 1.00 0.00 H +ATOM 2650 HE2 TYR A 178 3.646 -5.516 13.234 1.00 0.00 H +ATOM 2651 HH TYR A 178 4.462 -7.655 10.495 1.00 0.00 H +ATOM 2652 N MET A 179 7.841 -3.281 14.975 1.00 0.00 N +ATOM 2653 CA MET A 179 7.378 -2.119 14.170 1.00 0.00 C +ATOM 2654 C MET A 179 8.562 -1.275 13.648 1.00 0.00 C +ATOM 2655 O MET A 179 8.492 -0.907 12.484 1.00 0.00 O +ATOM 2656 CB MET A 179 6.430 -1.161 14.915 1.00 0.00 C +ATOM 2657 CG MET A 179 5.142 -1.869 15.309 1.00 0.00 C +ATOM 2658 SD MET A 179 4.225 -2.439 13.867 1.00 0.00 S +ATOM 2659 CE MET A 179 4.088 -0.988 12.843 1.00 0.00 C +ATOM 2660 H MET A 179 7.584 -3.311 15.952 1.00 0.00 H +ATOM 2661 HA MET A 179 6.868 -2.410 13.251 1.00 0.00 H +ATOM 2662 HB2 MET A 179 6.839 -0.851 15.877 1.00 0.00 H +ATOM 2663 HB3 MET A 179 6.220 -0.235 14.381 1.00 0.00 H +ATOM 2664 HG2 MET A 179 5.373 -2.719 15.950 1.00 0.00 H +ATOM 2665 HG3 MET A 179 4.502 -1.304 15.986 1.00 0.00 H +ATOM 2666 HE1 MET A 179 3.834 -0.097 13.417 1.00 0.00 H +ATOM 2667 HE2 MET A 179 5.071 -0.813 12.407 1.00 0.00 H +ATOM 2668 HE3 MET A 179 3.474 -1.118 11.953 1.00 0.00 H +ATOM 2669 N VAL A 180 9.538 -0.942 14.518 1.00 0.00 N +ATOM 2670 CA VAL A 180 10.702 -0.181 14.052 1.00 0.00 C +ATOM 2671 C VAL A 180 11.549 -1.032 13.137 1.00 0.00 C +ATOM 2672 O VAL A 180 11.842 -0.578 12.036 1.00 0.00 O +ATOM 2673 CB VAL A 180 11.556 0.333 15.253 1.00 0.00 C +ATOM 2674 CG1 VAL A 180 13.051 0.720 14.866 1.00 0.00 C +ATOM 2675 CG2 VAL A 180 10.915 1.577 15.853 1.00 0.00 C +ATOM 2676 H VAL A 180 9.323 -1.026 15.502 1.00 0.00 H +ATOM 2677 HA VAL A 180 10.535 0.754 13.517 1.00 0.00 H +ATOM 2678 HB VAL A 180 11.566 -0.452 16.008 1.00 0.00 H +ATOM 2679 HG11 VAL A 180 13.170 1.632 14.281 1.00 0.00 H +ATOM 2680 HG12 VAL A 180 13.501 1.070 15.795 1.00 0.00 H +ATOM 2681 HG13 VAL A 180 13.657 -0.058 14.401 1.00 0.00 H +ATOM 2682 HG21 VAL A 180 10.830 2.473 15.238 1.00 0.00 H +ATOM 2683 HG22 VAL A 180 9.968 1.481 16.383 1.00 0.00 H +ATOM 2684 HG23 VAL A 180 11.517 1.881 16.710 1.00 0.00 H +ATOM 2685 N TYR A 181 11.971 -2.172 13.568 1.00 0.00 N +ATOM 2686 CA TYR A 181 13.104 -2.867 12.910 1.00 0.00 C +ATOM 2687 C TYR A 181 12.598 -3.661 11.718 1.00 0.00 C +ATOM 2688 O TYR A 181 12.919 -3.294 10.562 1.00 0.00 O +ATOM 2689 CB TYR A 181 13.873 -3.605 14.045 1.00 0.00 C +ATOM 2690 CG TYR A 181 14.601 -2.705 15.046 1.00 0.00 C +ATOM 2691 CD1 TYR A 181 15.759 -1.964 14.593 1.00 0.00 C +ATOM 2692 CD2 TYR A 181 14.156 -2.534 16.345 1.00 0.00 C +ATOM 2693 CE1 TYR A 181 16.613 -1.295 15.508 1.00 0.00 C +ATOM 2694 CE2 TYR A 181 14.831 -1.658 17.229 1.00 0.00 C +ATOM 2695 CZ TYR A 181 16.054 -1.129 16.815 1.00 0.00 C +ATOM 2696 OH TYR A 181 16.796 -0.350 17.672 1.00 0.00 O +ATOM 2697 H TYR A 181 11.667 -2.483 14.480 1.00 0.00 H +ATOM 2698 HA TYR A 181 13.664 -2.100 12.375 1.00 0.00 H +ATOM 2699 HB2 TYR A 181 13.109 -4.227 14.513 1.00 0.00 H +ATOM 2700 HB3 TYR A 181 14.656 -4.271 13.682 1.00 0.00 H +ATOM 2701 HD1 TYR A 181 15.975 -1.976 13.535 1.00 0.00 H +ATOM 2702 HD2 TYR A 181 13.210 -2.976 16.622 1.00 0.00 H +ATOM 2703 HE1 TYR A 181 17.547 -0.898 15.140 1.00 0.00 H +ATOM 2704 HE2 TYR A 181 14.333 -1.531 18.179 1.00 0.00 H +ATOM 2705 HH TYR A 181 16.743 -0.710 18.560 1.00 0.00 H +ATOM 2706 N PHE A 182 11.745 -4.656 11.989 1.00 0.00 N +ATOM 2707 CA PHE A 182 11.302 -5.572 10.972 1.00 0.00 C +ATOM 2708 C PHE A 182 10.387 -5.002 9.916 1.00 0.00 C +ATOM 2709 O PHE A 182 10.491 -5.194 8.703 1.00 0.00 O +ATOM 2710 CB PHE A 182 10.559 -6.707 11.712 1.00 0.00 C +ATOM 2711 CG PHE A 182 10.183 -7.852 10.784 1.00 0.00 C +ATOM 2712 CD1 PHE A 182 8.859 -7.952 10.281 1.00 0.00 C +ATOM 2713 CD2 PHE A 182 11.138 -8.804 10.405 1.00 0.00 C +ATOM 2714 CE1 PHE A 182 8.612 -9.151 9.534 1.00 0.00 C +ATOM 2715 CE2 PHE A 182 10.886 -9.859 9.545 1.00 0.00 C +ATOM 2716 CZ PHE A 182 9.593 -10.035 9.197 1.00 0.00 C +ATOM 2717 H PHE A 182 11.349 -4.725 12.915 1.00 0.00 H +ATOM 2718 HA PHE A 182 12.062 -6.117 10.411 1.00 0.00 H +ATOM 2719 HB2 PHE A 182 11.229 -7.080 12.487 1.00 0.00 H +ATOM 2720 HB3 PHE A 182 9.642 -6.325 12.159 1.00 0.00 H +ATOM 2721 HD1 PHE A 182 8.130 -7.187 10.504 1.00 0.00 H +ATOM 2722 HD2 PHE A 182 12.128 -8.588 10.778 1.00 0.00 H +ATOM 2723 HE1 PHE A 182 7.660 -9.342 9.062 1.00 0.00 H +ATOM 2724 HE2 PHE A 182 11.727 -10.518 9.383 1.00 0.00 H +ATOM 2725 HZ PHE A 182 9.431 -10.867 8.528 1.00 0.00 H +ATOM 2726 N ASN A 183 9.479 -4.260 10.477 1.00 0.00 N +ATOM 2727 CA ASN A 183 8.404 -3.679 9.658 1.00 0.00 C +ATOM 2728 C ASN A 183 8.995 -2.456 8.935 1.00 0.00 C +ATOM 2729 O ASN A 183 8.882 -2.446 7.750 1.00 0.00 O +ATOM 2730 CB ASN A 183 7.105 -3.290 10.542 1.00 0.00 C +ATOM 2731 CG ASN A 183 5.789 -3.338 9.836 1.00 0.00 C +ATOM 2732 ND2 ASN A 183 5.025 -4.358 10.186 1.00 0.00 N +ATOM 2733 OD1 ASN A 183 5.493 -2.491 9.013 1.00 0.00 O +ATOM 2734 H ASN A 183 9.487 -4.110 11.476 1.00 0.00 H +ATOM 2735 HA ASN A 183 8.107 -4.395 8.892 1.00 0.00 H +ATOM 2736 HB2 ASN A 183 7.055 -3.995 11.372 1.00 0.00 H +ATOM 2737 HB3 ASN A 183 7.365 -2.360 11.048 1.00 0.00 H +ATOM 2738 HD21 ASN A 183 5.119 -5.068 10.898 1.00 0.00 H +ATOM 2739 HD22 ASN A 183 4.091 -4.429 9.808 1.00 0.00 H +ATOM 2740 N PHE A 184 9.614 -1.424 9.593 1.00 0.00 N +ATOM 2741 CA PHE A 184 10.308 -0.361 8.827 1.00 0.00 C +ATOM 2742 C PHE A 184 11.614 -0.815 8.207 1.00 0.00 C +ATOM 2743 O PHE A 184 11.626 -1.121 7.041 1.00 0.00 O +ATOM 2744 CB PHE A 184 10.209 0.994 9.518 1.00 0.00 C +ATOM 2745 CG PHE A 184 10.915 2.147 8.899 1.00 0.00 C +ATOM 2746 CD1 PHE A 184 10.720 2.493 7.572 1.00 0.00 C +ATOM 2747 CD2 PHE A 184 11.493 3.110 9.698 1.00 0.00 C +ATOM 2748 CE1 PHE A 184 11.136 3.677 7.028 1.00 0.00 C +ATOM 2749 CE2 PHE A 184 11.941 4.315 9.193 1.00 0.00 C +ATOM 2750 CZ PHE A 184 11.655 4.673 7.908 1.00 0.00 C +ATOM 2751 H PHE A 184 9.604 -1.427 10.603 1.00 0.00 H +ATOM 2752 HA PHE A 184 9.662 -0.195 7.965 1.00 0.00 H +ATOM 2753 HB2 PHE A 184 9.140 1.192 9.587 1.00 0.00 H +ATOM 2754 HB3 PHE A 184 10.676 1.065 10.501 1.00 0.00 H +ATOM 2755 HD1 PHE A 184 10.366 1.728 6.898 1.00 0.00 H +ATOM 2756 HD2 PHE A 184 11.751 2.985 10.739 1.00 0.00 H +ATOM 2757 HE1 PHE A 184 10.961 3.787 5.968 1.00 0.00 H +ATOM 2758 HE2 PHE A 184 12.371 5.024 9.885 1.00 0.00 H +ATOM 2759 HZ PHE A 184 11.770 5.664 7.493 1.00 0.00 H +ATOM 2760 N PHE A 185 12.682 -0.953 9.033 1.00 0.00 N +ATOM 2761 CA PHE A 185 14.068 -1.100 8.536 1.00 0.00 C +ATOM 2762 C PHE A 185 14.371 -2.049 7.443 1.00 0.00 C +ATOM 2763 O PHE A 185 15.076 -1.761 6.418 1.00 0.00 O +ATOM 2764 CB PHE A 185 15.172 -1.170 9.629 1.00 0.00 C +ATOM 2765 CG PHE A 185 15.529 0.157 10.212 1.00 0.00 C +ATOM 2766 CD1 PHE A 185 14.624 0.872 11.049 1.00 0.00 C +ATOM 2767 CD2 PHE A 185 16.650 0.895 9.665 1.00 0.00 C +ATOM 2768 CE1 PHE A 185 14.996 2.127 11.486 1.00 0.00 C +ATOM 2769 CE2 PHE A 185 16.947 2.148 10.119 1.00 0.00 C +ATOM 2770 CZ PHE A 185 16.169 2.804 11.051 1.00 0.00 C +ATOM 2771 H PHE A 185 12.559 -0.813 10.026 1.00 0.00 H +ATOM 2772 HA PHE A 185 14.224 -0.148 8.028 1.00 0.00 H +ATOM 2773 HB2 PHE A 185 14.953 -1.965 10.342 1.00 0.00 H +ATOM 2774 HB3 PHE A 185 16.108 -1.523 9.195 1.00 0.00 H +ATOM 2775 HD1 PHE A 185 13.776 0.362 11.482 1.00 0.00 H +ATOM 2776 HD2 PHE A 185 17.325 0.360 9.013 1.00 0.00 H +ATOM 2777 HE1 PHE A 185 14.409 2.632 12.240 1.00 0.00 H +ATOM 2778 HE2 PHE A 185 17.907 2.510 9.782 1.00 0.00 H +ATOM 2779 HZ PHE A 185 16.573 3.733 11.425 1.00 0.00 H +ATOM 2780 N ALA A 186 13.815 -3.258 7.616 1.00 0.00 N +ATOM 2781 CA ALA A 186 13.789 -4.344 6.601 1.00 0.00 C +ATOM 2782 C ALA A 186 12.671 -4.194 5.582 1.00 0.00 C +ATOM 2783 O ALA A 186 12.828 -3.664 4.515 1.00 0.00 O +ATOM 2784 CB ALA A 186 13.914 -5.622 7.396 1.00 0.00 C +ATOM 2785 H ALA A 186 13.225 -3.493 8.401 1.00 0.00 H +ATOM 2786 HA ALA A 186 14.741 -4.197 6.091 1.00 0.00 H +ATOM 2787 HB1 ALA A 186 14.788 -5.625 8.047 1.00 0.00 H +ATOM 2788 HB2 ALA A 186 13.096 -5.862 8.074 1.00 0.00 H +ATOM 2789 HB3 ALA A 186 13.876 -6.433 6.669 1.00 0.00 H +ATOM 2790 N CYS A 187 11.473 -4.591 5.995 1.00 0.00 N +ATOM 2791 CA CYS A 187 10.400 -4.923 5.062 1.00 0.00 C +ATOM 2792 C CYS A 187 9.767 -3.801 4.274 1.00 0.00 C +ATOM 2793 O CYS A 187 9.337 -3.952 3.168 1.00 0.00 O +ATOM 2794 CB CYS A 187 9.449 -5.900 5.689 1.00 0.00 C +ATOM 2795 SG CYS A 187 10.242 -7.430 6.060 1.00 0.00 S +ATOM 2796 H CYS A 187 11.338 -4.726 6.987 1.00 0.00 H +ATOM 2797 HA CYS A 187 10.833 -5.445 4.209 1.00 0.00 H +ATOM 2798 HB2 CYS A 187 8.966 -5.512 6.586 1.00 0.00 H +ATOM 2799 HB3 CYS A 187 8.648 -6.099 4.978 1.00 0.00 H +ATOM 2800 HG CYS A 187 10.250 -7.282 7.388 1.00 0.00 H +ATOM 2801 N VAL A 188 9.617 -2.707 4.923 1.00 0.00 N +ATOM 2802 CA VAL A 188 9.116 -1.517 4.262 1.00 0.00 C +ATOM 2803 C VAL A 188 10.301 -0.764 3.647 1.00 0.00 C +ATOM 2804 O VAL A 188 10.290 -0.369 2.490 1.00 0.00 O +ATOM 2805 CB VAL A 188 8.282 -0.614 5.264 1.00 0.00 C +ATOM 2806 CG1 VAL A 188 7.911 0.716 4.786 1.00 0.00 C +ATOM 2807 CG2 VAL A 188 7.078 -1.391 5.923 1.00 0.00 C +ATOM 2808 H VAL A 188 10.036 -2.605 5.836 1.00 0.00 H +ATOM 2809 HA VAL A 188 8.493 -1.759 3.400 1.00 0.00 H +ATOM 2810 HB VAL A 188 9.004 -0.407 6.055 1.00 0.00 H +ATOM 2811 HG11 VAL A 188 8.733 1.249 4.307 1.00 0.00 H +ATOM 2812 HG12 VAL A 188 7.102 0.709 4.055 1.00 0.00 H +ATOM 2813 HG13 VAL A 188 7.701 1.381 5.624 1.00 0.00 H +ATOM 2814 HG21 VAL A 188 7.165 -2.476 5.868 1.00 0.00 H +ATOM 2815 HG22 VAL A 188 6.972 -0.958 6.917 1.00 0.00 H +ATOM 2816 HG23 VAL A 188 6.149 -1.232 5.376 1.00 0.00 H +ATOM 2817 N LEU A 189 11.362 -0.589 4.449 1.00 0.00 N +ATOM 2818 CA LEU A 189 12.504 0.282 4.085 1.00 0.00 C +ATOM 2819 C LEU A 189 13.461 -0.268 2.957 1.00 0.00 C +ATOM 2820 O LEU A 189 13.702 0.444 1.989 1.00 0.00 O +ATOM 2821 CB LEU A 189 13.212 0.918 5.250 1.00 0.00 C +ATOM 2822 CG LEU A 189 14.255 1.983 4.923 1.00 0.00 C +ATOM 2823 CD1 LEU A 189 13.633 3.231 4.232 1.00 0.00 C +ATOM 2824 CD2 LEU A 189 15.110 2.304 6.214 1.00 0.00 C +ATOM 2825 H LEU A 189 11.408 -1.033 5.356 1.00 0.00 H +ATOM 2826 HA LEU A 189 12.119 1.184 3.611 1.00 0.00 H +ATOM 2827 HB2 LEU A 189 12.439 1.260 5.938 1.00 0.00 H +ATOM 2828 HB3 LEU A 189 13.687 0.241 5.960 1.00 0.00 H +ATOM 2829 HG LEU A 189 15.031 1.548 4.294 1.00 0.00 H +ATOM 2830 HD11 LEU A 189 12.615 3.241 4.622 1.00 0.00 H +ATOM 2831 HD12 LEU A 189 14.211 4.154 4.275 1.00 0.00 H +ATOM 2832 HD13 LEU A 189 13.582 3.002 3.168 1.00 0.00 H +ATOM 2833 HD21 LEU A 189 15.219 3.369 6.416 1.00 0.00 H +ATOM 2834 HD22 LEU A 189 14.820 1.841 7.157 1.00 0.00 H +ATOM 2835 HD23 LEU A 189 16.126 1.954 6.030 1.00 0.00 H +ATOM 2836 N VAL A 190 13.937 -1.523 2.953 1.00 0.00 N +ATOM 2837 CA VAL A 190 14.827 -2.052 1.878 1.00 0.00 C +ATOM 2838 C VAL A 190 14.161 -2.147 0.493 1.00 0.00 C +ATOM 2839 O VAL A 190 14.708 -1.627 -0.477 1.00 0.00 O +ATOM 2840 CB VAL A 190 15.528 -3.370 2.333 1.00 0.00 C +ATOM 2841 CG1 VAL A 190 16.381 -4.091 1.254 1.00 0.00 C +ATOM 2842 CG2 VAL A 190 16.469 -3.129 3.507 1.00 0.00 C +ATOM 2843 H VAL A 190 13.677 -2.155 3.696 1.00 0.00 H +ATOM 2844 HA VAL A 190 15.611 -1.300 1.779 1.00 0.00 H +ATOM 2845 HB VAL A 190 14.769 -4.092 2.635 1.00 0.00 H +ATOM 2846 HG11 VAL A 190 15.805 -4.495 0.422 1.00 0.00 H +ATOM 2847 HG12 VAL A 190 17.011 -3.415 0.676 1.00 0.00 H +ATOM 2848 HG13 VAL A 190 17.080 -4.855 1.593 1.00 0.00 H +ATOM 2849 HG21 VAL A 190 17.449 -3.606 3.491 1.00 0.00 H +ATOM 2850 HG22 VAL A 190 16.701 -2.069 3.613 1.00 0.00 H +ATOM 2851 HG23 VAL A 190 15.996 -3.390 4.454 1.00 0.00 H +ATOM 2852 N PRO A 191 12.927 -2.737 0.366 1.00 0.00 N +ATOM 2853 CA PRO A 191 12.034 -2.704 -0.854 1.00 0.00 C +ATOM 2854 C PRO A 191 12.060 -1.306 -1.487 1.00 0.00 C +ATOM 2855 O PRO A 191 12.502 -1.205 -2.625 1.00 0.00 O +ATOM 2856 CB PRO A 191 10.699 -3.293 -0.344 1.00 0.00 C +ATOM 2857 CG PRO A 191 11.200 -4.465 0.537 1.00 0.00 C +ATOM 2858 CD PRO A 191 12.316 -3.680 1.319 1.00 0.00 C +ATOM 2859 HA PRO A 191 12.498 -3.401 -1.552 1.00 0.00 H +ATOM 2860 HB2 PRO A 191 10.246 -2.568 0.333 1.00 0.00 H +ATOM 2861 HB3 PRO A 191 10.065 -3.448 -1.217 1.00 0.00 H +ATOM 2862 HG2 PRO A 191 10.516 -5.092 1.109 1.00 0.00 H +ATOM 2863 HG3 PRO A 191 11.687 -5.219 -0.082 1.00 0.00 H +ATOM 2864 HD2 PRO A 191 11.906 -3.121 2.160 1.00 0.00 H +ATOM 2865 HD3 PRO A 191 12.936 -4.378 1.882 1.00 0.00 H +ATOM 2866 N LEU A 192 11.743 -0.259 -0.698 1.00 0.00 N +ATOM 2867 CA LEU A 192 11.762 1.076 -1.233 1.00 0.00 C +ATOM 2868 C LEU A 192 13.086 1.660 -1.762 1.00 0.00 C +ATOM 2869 O LEU A 192 13.080 2.418 -2.693 1.00 0.00 O +ATOM 2870 CB LEU A 192 11.056 2.159 -0.312 1.00 0.00 C +ATOM 2871 CG LEU A 192 9.561 1.903 -0.145 1.00 0.00 C +ATOM 2872 CD1 LEU A 192 9.002 2.555 1.104 1.00 0.00 C +ATOM 2873 CD2 LEU A 192 8.805 2.313 -1.370 1.00 0.00 C +ATOM 2874 H LEU A 192 11.460 -0.505 0.240 1.00 0.00 H +ATOM 2875 HA LEU A 192 11.101 1.050 -2.099 1.00 0.00 H +ATOM 2876 HB2 LEU A 192 11.684 2.105 0.578 1.00 0.00 H +ATOM 2877 HB3 LEU A 192 11.117 3.182 -0.683 1.00 0.00 H +ATOM 2878 HG LEU A 192 9.384 0.832 -0.054 1.00 0.00 H +ATOM 2879 HD11 LEU A 192 7.991 2.186 1.281 1.00 0.00 H +ATOM 2880 HD12 LEU A 192 9.592 2.336 1.994 1.00 0.00 H +ATOM 2881 HD13 LEU A 192 9.003 3.636 0.970 1.00 0.00 H +ATOM 2882 HD21 LEU A 192 9.429 2.666 -2.192 1.00 0.00 H +ATOM 2883 HD22 LEU A 192 8.163 1.556 -1.820 1.00 0.00 H +ATOM 2884 HD23 LEU A 192 8.237 3.227 -1.194 1.00 0.00 H +ATOM 2885 N LEU A 193 14.148 1.387 -1.029 1.00 0.00 N +ATOM 2886 CA LEU A 193 15.516 1.768 -1.342 1.00 0.00 C +ATOM 2887 C LEU A 193 16.032 1.065 -2.621 1.00 0.00 C +ATOM 2888 O LEU A 193 16.583 1.726 -3.453 1.00 0.00 O +ATOM 2889 CB LEU A 193 16.507 1.643 -0.102 1.00 0.00 C +ATOM 2890 CG LEU A 193 16.098 2.582 1.107 1.00 0.00 C +ATOM 2891 CD1 LEU A 193 16.998 2.241 2.316 1.00 0.00 C +ATOM 2892 CD2 LEU A 193 16.108 4.078 0.835 1.00 0.00 C +ATOM 2893 H LEU A 193 14.002 0.996 -0.109 1.00 0.00 H +ATOM 2894 HA LEU A 193 15.370 2.838 -1.487 1.00 0.00 H +ATOM 2895 HB2 LEU A 193 16.254 0.647 0.261 1.00 0.00 H +ATOM 2896 HB3 LEU A 193 17.576 1.678 -0.310 1.00 0.00 H +ATOM 2897 HG LEU A 193 15.070 2.341 1.377 1.00 0.00 H +ATOM 2898 HD11 LEU A 193 18.039 2.439 2.065 1.00 0.00 H +ATOM 2899 HD12 LEU A 193 16.656 2.647 3.268 1.00 0.00 H +ATOM 2900 HD13 LEU A 193 16.896 1.165 2.459 1.00 0.00 H +ATOM 2901 HD21 LEU A 193 15.100 4.369 1.133 1.00 0.00 H +ATOM 2902 HD22 LEU A 193 16.674 4.779 1.449 1.00 0.00 H +ATOM 2903 HD23 LEU A 193 16.257 4.344 -0.212 1.00 0.00 H +ATOM 2904 N LEU A 194 15.674 -0.224 -2.673 1.00 0.00 N +ATOM 2905 CA LEU A 194 15.836 -1.099 -3.808 1.00 0.00 C +ATOM 2906 C LEU A 194 15.015 -0.618 -5.071 1.00 0.00 C +ATOM 2907 O LEU A 194 15.570 -0.521 -6.145 1.00 0.00 O +ATOM 2908 CB LEU A 194 15.770 -2.624 -3.371 1.00 0.00 C +ATOM 2909 CG LEU A 194 16.929 -3.113 -2.433 1.00 0.00 C +ATOM 2910 CD1 LEU A 194 16.702 -4.596 -2.149 1.00 0.00 C +ATOM 2911 CD2 LEU A 194 18.345 -2.824 -2.931 1.00 0.00 C +ATOM 2912 H LEU A 194 15.169 -0.651 -1.910 1.00 0.00 H +ATOM 2913 HA LEU A 194 16.847 -0.849 -4.129 1.00 0.00 H +ATOM 2914 HB2 LEU A 194 14.848 -2.703 -2.796 1.00 0.00 H +ATOM 2915 HB3 LEU A 194 15.771 -3.230 -4.277 1.00 0.00 H +ATOM 2916 HG LEU A 194 16.941 -2.477 -1.548 1.00 0.00 H +ATOM 2917 HD11 LEU A 194 17.327 -4.848 -1.292 1.00 0.00 H +ATOM 2918 HD12 LEU A 194 15.720 -4.882 -1.772 1.00 0.00 H +ATOM 2919 HD13 LEU A 194 16.946 -4.984 -3.138 1.00 0.00 H +ATOM 2920 HD21 LEU A 194 18.949 -2.226 -2.249 1.00 0.00 H +ATOM 2921 HD22 LEU A 194 18.885 -3.747 -3.142 1.00 0.00 H +ATOM 2922 HD23 LEU A 194 18.357 -2.300 -3.886 1.00 0.00 H +ATOM 2923 N MET A 195 13.703 -0.338 -4.885 1.00 0.00 N +ATOM 2924 CA MET A 195 12.791 0.140 -5.856 1.00 0.00 C +ATOM 2925 C MET A 195 13.222 1.427 -6.549 1.00 0.00 C +ATOM 2926 O MET A 195 13.326 1.482 -7.764 1.00 0.00 O +ATOM 2927 CB MET A 195 11.394 0.384 -5.232 1.00 0.00 C +ATOM 2928 CG MET A 195 10.271 0.678 -6.184 1.00 0.00 C +ATOM 2929 SD MET A 195 8.685 1.183 -5.358 1.00 0.00 S +ATOM 2930 CE MET A 195 8.536 0.096 -3.913 1.00 0.00 C +ATOM 2931 H MET A 195 13.411 -0.580 -3.949 1.00 0.00 H +ATOM 2932 HA MET A 195 12.707 -0.561 -6.687 1.00 0.00 H +ATOM 2933 HB2 MET A 195 11.153 -0.501 -4.644 1.00 0.00 H +ATOM 2934 HB3 MET A 195 11.564 1.200 -4.530 1.00 0.00 H +ATOM 2935 HG2 MET A 195 10.341 1.606 -6.752 1.00 0.00 H +ATOM 2936 HG3 MET A 195 10.114 -0.105 -6.926 1.00 0.00 H +ATOM 2937 HE1 MET A 195 8.412 -0.924 -4.276 1.00 0.00 H +ATOM 2938 HE2 MET A 195 9.287 0.033 -3.125 1.00 0.00 H +ATOM 2939 HE3 MET A 195 7.510 0.179 -3.557 1.00 0.00 H +ATOM 2940 N LEU A 196 13.689 2.425 -5.748 1.00 0.00 N +ATOM 2941 CA LEU A 196 14.251 3.718 -6.175 1.00 0.00 C +ATOM 2942 C LEU A 196 15.556 3.620 -6.911 1.00 0.00 C +ATOM 2943 O LEU A 196 15.780 4.332 -7.860 1.00 0.00 O +ATOM 2944 CB LEU A 196 14.500 4.503 -4.857 1.00 0.00 C +ATOM 2945 CG LEU A 196 15.392 5.810 -4.809 1.00 0.00 C +ATOM 2946 CD1 LEU A 196 14.840 6.789 -5.846 1.00 0.00 C +ATOM 2947 CD2 LEU A 196 15.562 6.303 -3.381 1.00 0.00 C +ATOM 2948 H LEU A 196 13.610 2.287 -4.750 1.00 0.00 H +ATOM 2949 HA LEU A 196 13.557 4.223 -6.848 1.00 0.00 H +ATOM 2950 HB2 LEU A 196 13.512 4.831 -4.535 1.00 0.00 H +ATOM 2951 HB3 LEU A 196 14.904 3.866 -4.071 1.00 0.00 H +ATOM 2952 HG LEU A 196 16.437 5.663 -5.081 1.00 0.00 H +ATOM 2953 HD11 LEU A 196 14.817 7.771 -5.373 1.00 0.00 H +ATOM 2954 HD12 LEU A 196 15.600 6.909 -6.619 1.00 0.00 H +ATOM 2955 HD13 LEU A 196 13.877 6.523 -6.282 1.00 0.00 H +ATOM 2956 HD21 LEU A 196 15.307 5.549 -2.635 1.00 0.00 H +ATOM 2957 HD22 LEU A 196 16.622 6.538 -3.288 1.00 0.00 H +ATOM 2958 HD23 LEU A 196 14.988 7.198 -3.141 1.00 0.00 H +ATOM 2959 N GLY A 197 16.397 2.644 -6.521 1.00 0.00 N +ATOM 2960 CA GLY A 197 17.678 2.411 -7.013 1.00 0.00 C +ATOM 2961 C GLY A 197 17.597 1.798 -8.398 1.00 0.00 C +ATOM 2962 O GLY A 197 18.115 2.343 -9.323 1.00 0.00 O +ATOM 2963 H GLY A 197 16.252 2.294 -5.584 1.00 0.00 H +ATOM 2964 HA2 GLY A 197 18.360 3.261 -6.982 1.00 0.00 H +ATOM 2965 HA3 GLY A 197 18.160 1.681 -6.363 1.00 0.00 H +ATOM 2966 N VAL A 198 16.797 0.722 -8.478 1.00 0.00 N +ATOM 2967 CA VAL A 198 16.652 -0.070 -9.677 1.00 0.00 C +ATOM 2968 C VAL A 198 15.968 0.714 -10.810 1.00 0.00 C +ATOM 2969 O VAL A 198 16.284 0.545 -12.001 1.00 0.00 O +ATOM 2970 CB VAL A 198 15.936 -1.460 -9.429 1.00 0.00 C +ATOM 2971 CG1 VAL A 198 14.384 -1.501 -9.270 1.00 0.00 C +ATOM 2972 CG2 VAL A 198 16.386 -2.564 -10.388 1.00 0.00 C +ATOM 2973 H VAL A 198 16.164 0.475 -7.730 1.00 0.00 H +ATOM 2974 HA VAL A 198 17.626 -0.349 -10.079 1.00 0.00 H +ATOM 2975 HB VAL A 198 16.361 -1.764 -8.472 1.00 0.00 H +ATOM 2976 HG11 VAL A 198 13.913 -2.393 -8.858 1.00 0.00 H +ATOM 2977 HG12 VAL A 198 14.092 -0.660 -8.640 1.00 0.00 H +ATOM 2978 HG13 VAL A 198 13.973 -1.275 -10.255 1.00 0.00 H +ATOM 2979 HG21 VAL A 198 16.042 -2.345 -11.399 1.00 0.00 H +ATOM 2980 HG22 VAL A 198 17.449 -2.799 -10.335 1.00 0.00 H +ATOM 2981 HG23 VAL A 198 15.940 -3.498 -10.047 1.00 0.00 H +ATOM 2982 N TYR A 199 15.092 1.690 -10.448 1.00 0.00 N +ATOM 2983 CA TYR A 199 14.537 2.666 -11.430 1.00 0.00 C +ATOM 2984 C TYR A 199 15.725 3.584 -12.012 1.00 0.00 C +ATOM 2985 O TYR A 199 15.642 3.815 -13.183 1.00 0.00 O +ATOM 2986 CB TYR A 199 13.438 3.558 -10.844 1.00 0.00 C +ATOM 2987 CG TYR A 199 12.041 2.948 -10.803 1.00 0.00 C +ATOM 2988 CD1 TYR A 199 11.498 2.537 -12.056 1.00 0.00 C +ATOM 2989 CD2 TYR A 199 11.256 2.928 -9.671 1.00 0.00 C +ATOM 2990 CE1 TYR A 199 10.242 1.959 -12.159 1.00 0.00 C +ATOM 2991 CE2 TYR A 199 9.969 2.419 -9.743 1.00 0.00 C +ATOM 2992 CZ TYR A 199 9.486 1.915 -10.960 1.00 0.00 C +ATOM 2993 OH TYR A 199 8.296 1.480 -11.252 1.00 0.00 O +ATOM 2994 H TYR A 199 14.842 1.844 -9.482 1.00 0.00 H +ATOM 2995 HA TYR A 199 14.164 1.938 -12.151 1.00 0.00 H +ATOM 2996 HB2 TYR A 199 13.615 3.914 -9.829 1.00 0.00 H +ATOM 2997 HB3 TYR A 199 13.478 4.540 -11.315 1.00 0.00 H +ATOM 2998 HD1 TYR A 199 12.052 2.705 -12.968 1.00 0.00 H +ATOM 2999 HD2 TYR A 199 11.629 3.266 -8.715 1.00 0.00 H +ATOM 3000 HE1 TYR A 199 9.784 1.813 -13.126 1.00 0.00 H +ATOM 3001 HE2 TYR A 199 9.304 2.403 -8.892 1.00 0.00 H +ATOM 3002 HH TYR A 199 7.668 1.525 -10.528 1.00 0.00 H +ATOM 3003 N LEU A 200 16.687 4.140 -11.222 1.00 0.00 N +ATOM 3004 CA LEU A 200 17.817 5.077 -11.703 1.00 0.00 C +ATOM 3005 C LEU A 200 18.706 4.247 -12.707 1.00 0.00 C +ATOM 3006 O LEU A 200 19.134 4.838 -13.783 1.00 0.00 O +ATOM 3007 CB LEU A 200 18.677 5.525 -10.556 1.00 0.00 C +ATOM 3008 CG LEU A 200 18.068 6.669 -9.706 1.00 0.00 C +ATOM 3009 CD1 LEU A 200 18.931 6.589 -8.308 1.00 0.00 C +ATOM 3010 CD2 LEU A 200 18.035 8.092 -10.304 1.00 0.00 C +ATOM 3011 H LEU A 200 16.545 3.989 -10.233 1.00 0.00 H +ATOM 3012 HA LEU A 200 17.485 5.976 -12.221 1.00 0.00 H +ATOM 3013 HB2 LEU A 200 18.895 4.595 -10.031 1.00 0.00 H +ATOM 3014 HB3 LEU A 200 19.689 5.807 -10.845 1.00 0.00 H +ATOM 3015 HG LEU A 200 17.026 6.555 -9.410 1.00 0.00 H +ATOM 3016 HD11 LEU A 200 19.219 7.573 -7.937 1.00 0.00 H +ATOM 3017 HD12 LEU A 200 18.379 6.207 -7.449 1.00 0.00 H +ATOM 3018 HD13 LEU A 200 19.870 6.074 -8.514 1.00 0.00 H +ATOM 3019 HD21 LEU A 200 17.313 8.148 -11.118 1.00 0.00 H +ATOM 3020 HD22 LEU A 200 17.783 8.862 -9.574 1.00 0.00 H +ATOM 3021 HD23 LEU A 200 19.045 8.375 -10.601 1.00 0.00 H +ATOM 3022 N ARG A 201 18.843 2.978 -12.525 1.00 0.00 N +ATOM 3023 CA ARG A 201 19.484 2.098 -13.531 1.00 0.00 C +ATOM 3024 C ARG A 201 18.765 2.105 -14.877 1.00 0.00 C +ATOM 3025 O ARG A 201 19.418 1.985 -15.913 1.00 0.00 O +ATOM 3026 CB ARG A 201 19.838 0.717 -13.010 1.00 0.00 C +ATOM 3027 CG ARG A 201 20.619 0.671 -11.700 1.00 0.00 C +ATOM 3028 CD ARG A 201 20.790 -0.735 -11.069 1.00 0.00 C +ATOM 3029 NE ARG A 201 21.421 -1.600 -12.052 1.00 0.00 N +ATOM 3030 CZ ARG A 201 22.748 -1.771 -12.213 1.00 0.00 C +ATOM 3031 NH1 ARG A 201 23.673 -1.167 -11.467 1.00 0.00 N +ATOM 3032 NH2 ARG A 201 23.156 -2.738 -12.982 1.00 0.00 N +ATOM 3033 H ARG A 201 18.408 2.607 -11.693 1.00 0.00 H +ATOM 3034 HA ARG A 201 20.440 2.587 -13.715 1.00 0.00 H +ATOM 3035 HB2 ARG A 201 18.874 0.238 -12.839 1.00 0.00 H +ATOM 3036 HB3 ARG A 201 20.366 0.199 -13.811 1.00 0.00 H +ATOM 3037 HG2 ARG A 201 21.573 1.195 -11.662 1.00 0.00 H +ATOM 3038 HG3 ARG A 201 20.036 1.295 -11.021 1.00 0.00 H +ATOM 3039 HD2 ARG A 201 21.563 -0.591 -10.315 1.00 0.00 H +ATOM 3040 HD3 ARG A 201 19.847 -1.046 -10.620 1.00 0.00 H +ATOM 3041 HE ARG A 201 20.774 -2.140 -12.608 1.00 0.00 H +ATOM 3042 HH11 ARG A 201 23.477 -0.385 -10.859 1.00 0.00 H +ATOM 3043 HH12 ARG A 201 24.644 -1.401 -11.619 1.00 0.00 H +ATOM 3044 HH21 ARG A 201 22.461 -3.224 -13.532 1.00 0.00 H +ATOM 3045 HH22 ARG A 201 24.095 -3.109 -12.951 1.00 0.00 H +ATOM 3046 N ILE A 202 17.443 2.264 -14.834 1.00 0.00 N +ATOM 3047 CA ILE A 202 16.613 2.388 -16.061 1.00 0.00 C +ATOM 3048 C ILE A 202 16.762 3.752 -16.659 1.00 0.00 C +ATOM 3049 O ILE A 202 16.868 3.940 -17.898 1.00 0.00 O +ATOM 3050 CB ILE A 202 15.073 2.107 -15.725 1.00 0.00 C +ATOM 3051 CG1 ILE A 202 14.900 0.733 -15.149 1.00 0.00 C +ATOM 3052 CG2 ILE A 202 14.175 2.348 -16.994 1.00 0.00 C +ATOM 3053 CD1 ILE A 202 13.573 0.476 -14.396 1.00 0.00 C +ATOM 3054 H ILE A 202 17.011 2.380 -13.928 1.00 0.00 H +ATOM 3055 HA ILE A 202 16.883 1.723 -16.881 1.00 0.00 H +ATOM 3056 HB ILE A 202 14.678 2.787 -14.970 1.00 0.00 H +ATOM 3057 HG12 ILE A 202 14.934 0.077 -16.018 1.00 0.00 H +ATOM 3058 HG13 ILE A 202 15.732 0.537 -14.472 1.00 0.00 H +ATOM 3059 HG21 ILE A 202 13.129 2.065 -16.883 1.00 0.00 H +ATOM 3060 HG22 ILE A 202 14.172 3.393 -17.307 1.00 0.00 H +ATOM 3061 HG23 ILE A 202 14.678 1.843 -17.819 1.00 0.00 H +ATOM 3062 HD11 ILE A 202 13.777 -0.016 -13.445 1.00 0.00 H +ATOM 3063 HD12 ILE A 202 12.824 1.267 -14.355 1.00 0.00 H +ATOM 3064 HD13 ILE A 202 12.973 -0.239 -14.960 1.00 0.00 H +ATOM 3065 N PHE A 203 16.924 4.766 -15.814 1.00 0.00 N +ATOM 3066 CA PHE A 203 17.067 6.160 -16.226 1.00 0.00 C +ATOM 3067 C PHE A 203 18.375 6.399 -17.005 1.00 0.00 C +ATOM 3068 O PHE A 203 18.427 7.215 -17.851 1.00 0.00 O +ATOM 3069 CB PHE A 203 17.031 7.197 -15.138 1.00 0.00 C +ATOM 3070 CG PHE A 203 15.607 7.495 -14.515 1.00 0.00 C +ATOM 3071 CD1 PHE A 203 14.441 6.712 -14.840 1.00 0.00 C +ATOM 3072 CD2 PHE A 203 15.461 8.588 -13.630 1.00 0.00 C +ATOM 3073 CE1 PHE A 203 13.205 7.034 -14.245 1.00 0.00 C +ATOM 3074 CE2 PHE A 203 14.246 8.799 -13.007 1.00 0.00 C +ATOM 3075 CZ PHE A 203 13.104 8.031 -13.329 1.00 0.00 C +ATOM 3076 H PHE A 203 17.212 4.466 -14.894 1.00 0.00 H +ATOM 3077 HA PHE A 203 16.282 6.322 -16.966 1.00 0.00 H +ATOM 3078 HB2 PHE A 203 17.688 6.817 -14.355 1.00 0.00 H +ATOM 3079 HB3 PHE A 203 17.481 8.131 -15.476 1.00 0.00 H +ATOM 3080 HD1 PHE A 203 14.440 5.878 -15.526 1.00 0.00 H +ATOM 3081 HD2 PHE A 203 16.304 9.185 -13.314 1.00 0.00 H +ATOM 3082 HE1 PHE A 203 12.318 6.535 -14.606 1.00 0.00 H +ATOM 3083 HE2 PHE A 203 14.137 9.614 -12.307 1.00 0.00 H +ATOM 3084 HZ PHE A 203 12.219 8.323 -12.783 1.00 0.00 H +ATOM 3085 N ALA A 204 19.386 5.583 -16.689 1.00 0.00 N +ATOM 3086 CA ALA A 204 20.725 5.468 -17.261 1.00 0.00 C +ATOM 3087 C ALA A 204 20.825 4.680 -18.595 1.00 0.00 C +ATOM 3088 O ALA A 204 21.579 5.072 -19.490 1.00 0.00 O +ATOM 3089 CB ALA A 204 21.548 4.818 -16.114 1.00 0.00 C +ATOM 3090 H ALA A 204 19.346 5.103 -15.800 1.00 0.00 H +ATOM 3091 HA ALA A 204 21.033 6.502 -17.419 1.00 0.00 H +ATOM 3092 HB1 ALA A 204 22.574 4.560 -16.376 1.00 0.00 H +ATOM 3093 HB2 ALA A 204 21.464 5.326 -15.153 1.00 0.00 H +ATOM 3094 HB3 ALA A 204 21.192 3.808 -15.907 1.00 0.00 H +ATOM 3095 N ALA A 205 19.982 3.640 -18.652 1.00 0.00 N +ATOM 3096 CA ALA A 205 19.967 2.789 -19.819 1.00 0.00 C +ATOM 3097 C ALA A 205 19.083 3.510 -20.826 1.00 0.00 C +ATOM 3098 O ALA A 205 19.362 3.413 -21.995 1.00 0.00 O +ATOM 3099 CB ALA A 205 19.403 1.395 -19.449 1.00 0.00 C +ATOM 3100 H ALA A 205 19.614 3.268 -17.788 1.00 0.00 H +ATOM 3101 HA ALA A 205 20.985 2.707 -20.198 1.00 0.00 H +ATOM 3102 HB1 ALA A 205 18.408 1.298 -19.017 1.00 0.00 H +ATOM 3103 HB2 ALA A 205 19.434 0.723 -20.307 1.00 0.00 H +ATOM 3104 HB3 ALA A 205 20.029 0.954 -18.673 1.00 0.00 H +ATOM 3105 N ALA A 206 17.993 4.253 -20.404 1.00 0.00 N +ATOM 3106 CA ALA A 206 17.145 5.111 -21.261 1.00 0.00 C +ATOM 3107 C ALA A 206 17.836 6.356 -21.913 1.00 0.00 C +ATOM 3108 O ALA A 206 17.268 6.931 -22.809 1.00 0.00 O +ATOM 3109 CB ALA A 206 15.952 5.560 -20.450 1.00 0.00 C +ATOM 3110 H ALA A 206 17.710 4.065 -19.453 1.00 0.00 H +ATOM 3111 HA ALA A 206 16.655 4.490 -22.011 1.00 0.00 H +ATOM 3112 HB1 ALA A 206 15.162 6.180 -20.874 1.00 0.00 H +ATOM 3113 HB2 ALA A 206 15.317 4.691 -20.279 1.00 0.00 H +ATOM 3114 HB3 ALA A 206 16.158 5.962 -19.458 1.00 0.00 H +ATOM 3115 N ARG A 207 19.064 6.704 -21.403 1.00 0.00 N +ATOM 3116 CA ARG A 207 19.830 7.861 -21.837 1.00 0.00 C +ATOM 3117 C ARG A 207 20.546 7.570 -23.202 1.00 0.00 C +ATOM 3118 O ARG A 207 20.734 8.495 -23.961 1.00 0.00 O +ATOM 3119 CB ARG A 207 20.893 8.210 -20.725 1.00 0.00 C +ATOM 3120 CG ARG A 207 21.874 9.393 -20.984 1.00 0.00 C +ATOM 3121 CD ARG A 207 22.500 9.837 -19.748 1.00 0.00 C +ATOM 3122 NE ARG A 207 23.331 8.816 -19.068 1.00 0.00 N +ATOM 3123 CZ ARG A 207 23.174 8.420 -17.799 1.00 0.00 C +ATOM 3124 NH1 ARG A 207 22.299 8.950 -17.006 1.00 0.00 N +ATOM 3125 NH2 ARG A 207 23.896 7.431 -17.441 1.00 0.00 N +ATOM 3126 H ARG A 207 19.444 6.141 -20.656 1.00 0.00 H +ATOM 3127 HA ARG A 207 19.137 8.701 -21.886 1.00 0.00 H +ATOM 3128 HB2 ARG A 207 20.368 8.476 -19.807 1.00 0.00 H +ATOM 3129 HB3 ARG A 207 21.475 7.305 -20.546 1.00 0.00 H +ATOM 3130 HG2 ARG A 207 22.561 9.177 -21.802 1.00 0.00 H +ATOM 3131 HG3 ARG A 207 21.279 10.249 -21.303 1.00 0.00 H +ATOM 3132 HD2 ARG A 207 23.248 10.476 -20.218 1.00 0.00 H +ATOM 3133 HD3 ARG A 207 21.917 10.551 -19.167 1.00 0.00 H +ATOM 3134 HE ARG A 207 24.076 8.465 -19.653 1.00 0.00 H +ATOM 3135 HH11 ARG A 207 21.684 9.697 -17.294 1.00 0.00 H +ATOM 3136 HH12 ARG A 207 22.373 8.792 -16.012 1.00 0.00 H +ATOM 3137 HH21 ARG A 207 24.681 7.243 -18.048 1.00 0.00 H +ATOM 3138 HH22 ARG A 207 24.134 7.189 -16.490 1.00 0.00 H +ATOM 3139 N ARG A 208 20.855 6.299 -23.431 1.00 0.00 N +ATOM 3140 CA ARG A 208 21.406 5.760 -24.619 1.00 0.00 C +ATOM 3141 C ARG A 208 20.282 5.616 -25.705 1.00 0.00 C +ATOM 3142 O ARG A 208 20.443 6.010 -26.860 1.00 0.00 O +ATOM 3143 CB ARG A 208 21.965 4.381 -24.334 1.00 0.00 C +ATOM 3144 CG ARG A 208 22.536 3.641 -25.593 1.00 0.00 C +ATOM 3145 CD ARG A 208 23.395 2.484 -25.082 1.00 0.00 C +ATOM 3146 NE ARG A 208 23.775 1.534 -26.217 1.00 0.00 N +ATOM 3147 CZ ARG A 208 24.783 0.654 -26.052 1.00 0.00 C +ATOM 3148 NH1 ARG A 208 25.523 0.686 -24.964 1.00 0.00 N +ATOM 3149 NH2 ARG A 208 25.026 -0.180 -27.073 1.00 0.00 N +ATOM 3150 H ARG A 208 20.880 5.631 -22.674 1.00 0.00 H +ATOM 3151 HA ARG A 208 22.191 6.433 -24.965 1.00 0.00 H +ATOM 3152 HB2 ARG A 208 22.664 4.435 -23.500 1.00 0.00 H +ATOM 3153 HB3 ARG A 208 21.217 3.735 -23.876 1.00 0.00 H +ATOM 3154 HG2 ARG A 208 21.744 3.192 -26.193 1.00 0.00 H +ATOM 3155 HG3 ARG A 208 23.019 4.470 -26.110 1.00 0.00 H +ATOM 3156 HD2 ARG A 208 24.224 2.818 -24.458 1.00 0.00 H +ATOM 3157 HD3 ARG A 208 22.884 1.789 -24.417 1.00 0.00 H +ATOM 3158 HE ARG A 208 23.227 1.489 -27.064 1.00 0.00 H +ATOM 3159 HH11 ARG A 208 25.758 1.563 -24.522 1.00 0.00 H +ATOM 3160 HH12 ARG A 208 26.197 -0.025 -24.717 1.00 0.00 H +ATOM 3161 HH21 ARG A 208 24.692 0.002 -28.009 1.00 0.00 H +ATOM 3162 HH22 ARG A 208 25.680 -0.946 -27.010 1.00 0.00 H +ATOM 3163 N GLN A 209 19.071 5.148 -25.289 1.00 0.00 N +ATOM 3164 CA GLN A 209 17.901 4.956 -26.126 1.00 0.00 C +ATOM 3165 C GLN A 209 17.341 6.269 -26.623 1.00 0.00 C +ATOM 3166 O GLN A 209 17.217 6.375 -27.824 1.00 0.00 O +ATOM 3167 CB GLN A 209 16.794 4.089 -25.368 1.00 0.00 C +ATOM 3168 CG GLN A 209 17.346 2.621 -25.058 1.00 0.00 C +ATOM 3169 CD GLN A 209 16.340 1.778 -24.267 1.00 0.00 C +ATOM 3170 NE2 GLN A 209 16.700 0.507 -24.129 1.00 0.00 N +ATOM 3171 OE1 GLN A 209 15.373 2.330 -23.719 1.00 0.00 O +ATOM 3172 H GLN A 209 18.995 5.075 -24.285 1.00 0.00 H +ATOM 3173 HA GLN A 209 18.248 4.470 -27.038 1.00 0.00 H +ATOM 3174 HB2 GLN A 209 16.509 4.632 -24.467 1.00 0.00 H +ATOM 3175 HB3 GLN A 209 15.925 3.812 -25.965 1.00 0.00 H +ATOM 3176 HG2 GLN A 209 17.489 2.072 -25.989 1.00 0.00 H +ATOM 3177 HG3 GLN A 209 18.274 2.552 -24.491 1.00 0.00 H +ATOM 3178 HE21 GLN A 209 17.583 0.200 -24.511 1.00 0.00 H +ATOM 3179 HE22 GLN A 209 16.117 -0.242 -23.786 1.00 0.00 H +ATOM 3180 N LEU A 210 16.948 7.178 -25.739 1.00 0.00 N +ATOM 3181 CA LEU A 210 16.310 8.466 -25.974 1.00 0.00 C +ATOM 3182 C LEU A 210 16.648 9.279 -24.730 1.00 0.00 C +ATOM 3183 O LEU A 210 16.170 10.374 -24.556 1.00 0.00 O +ATOM 3184 CB LEU A 210 14.753 8.364 -26.231 1.00 0.00 C +ATOM 3185 CG LEU A 210 13.752 7.984 -25.121 1.00 0.00 C +ATOM 3186 CD1 LEU A 210 12.210 8.109 -25.515 1.00 0.00 C +ATOM 3187 CD2 LEU A 210 14.057 6.586 -24.499 1.00 0.00 C +ATOM 3188 H LEU A 210 17.135 7.052 -24.755 1.00 0.00 H +ATOM 3189 HA LEU A 210 16.620 8.874 -26.937 1.00 0.00 H +ATOM 3190 HB2 LEU A 210 14.416 9.385 -26.406 1.00 0.00 H +ATOM 3191 HB3 LEU A 210 14.541 7.805 -27.142 1.00 0.00 H +ATOM 3192 HG LEU A 210 13.901 8.670 -24.287 1.00 0.00 H +ATOM 3193 HD11 LEU A 210 11.802 9.060 -25.173 1.00 0.00 H +ATOM 3194 HD12 LEU A 210 11.996 8.144 -26.583 1.00 0.00 H +ATOM 3195 HD13 LEU A 210 11.586 7.305 -25.125 1.00 0.00 H +ATOM 3196 HD21 LEU A 210 14.381 5.925 -25.303 1.00 0.00 H +ATOM 3197 HD22 LEU A 210 14.820 6.631 -23.722 1.00 0.00 H +ATOM 3198 HD23 LEU A 210 13.164 6.208 -24.001 1.00 0.00 H +HETATM 3199 N NME A 211A 17.583 8.788 -23.707 1.00 0.00 N +HETATM 3200 C NME A 211A 17.888 9.616 -22.532 1.00 0.00 C +HETATM 3201 H NME A 211A 18.016 7.882 -23.813 1.00 0.00 H +HETATM 3202 H1 NME A 211A 18.167 8.974 -21.697 1.00 0.00 H +HETATM 3203 H2 NME A 211A 17.009 10.202 -22.262 1.00 0.00 H +HETATM 3204 H3 NME A 211A 18.714 10.288 -22.765 1.00 0.00 H +TER 3205 NME A 211 +HETATM 3206 CH3 ACE B 1 9.941 4.732 -38.713 1.00 0.00 C +HETATM 3207 C ACE B 1 11.043 3.915 -38.014 1.00 0.00 C +HETATM 3208 O ACE B 1 9.089 4.164 -39.354 1.00 0.00 O +HETATM 3209 H1 ACE B 1 11.348 3.089 -38.656 1.00 0.00 H +HETATM 3210 H2 ACE B 1 10.662 3.521 -37.071 1.00 0.00 H +HETATM 3211 H3 ACE B 1 11.901 4.558 -37.817 1.00 0.00 H +ATOM 3212 N GLU B 2 9.932 6.197 -38.597 1.00 0.00 N +ATOM 3213 CA GLU B 2 10.440 6.597 -37.279 1.00 0.00 C +ATOM 3214 C GLU B 2 9.540 6.216 -36.004 1.00 0.00 C +ATOM 3215 O GLU B 2 9.629 6.744 -34.905 1.00 0.00 O +ATOM 3216 CB GLU B 2 11.034 7.992 -37.230 1.00 0.00 C +ATOM 3217 CG GLU B 2 12.217 8.231 -38.146 1.00 0.00 C +ATOM 3218 CD GLU B 2 12.664 9.683 -38.179 1.00 0.00 C +ATOM 3219 OE1 GLU B 2 12.175 10.532 -37.421 1.00 0.00 O +ATOM 3220 OE2 GLU B 2 13.679 9.859 -38.896 1.00 0.00 O +ATOM 3221 H GLU B 2 9.622 6.834 -39.317 1.00 0.00 H +ATOM 3222 HA GLU B 2 11.282 5.966 -36.992 1.00 0.00 H +ATOM 3223 HB2 GLU B 2 10.310 8.723 -37.591 1.00 0.00 H +ATOM 3224 HB3 GLU B 2 11.399 8.256 -36.238 1.00 0.00 H +ATOM 3225 HG2 GLU B 2 13.036 7.516 -38.066 1.00 0.00 H +ATOM 3226 HG3 GLU B 2 11.923 7.963 -39.161 1.00 0.00 H +ATOM 3227 N ARG B 3 8.576 5.329 -36.205 1.00 0.00 N +ATOM 3228 CA ARG B 3 7.626 4.671 -35.214 1.00 0.00 C +ATOM 3229 C ARG B 3 8.319 4.033 -33.949 1.00 0.00 C +ATOM 3230 O ARG B 3 7.631 3.726 -32.958 1.00 0.00 O +ATOM 3231 CB ARG B 3 6.757 3.667 -35.992 1.00 0.00 C +ATOM 3232 CG ARG B 3 5.944 4.387 -37.130 1.00 0.00 C +ATOM 3233 CD ARG B 3 4.924 3.453 -37.774 1.00 0.00 C +ATOM 3234 NE ARG B 3 4.323 4.034 -38.996 1.00 0.00 N +ATOM 3235 CZ ARG B 3 3.400 3.482 -39.788 1.00 0.00 C +ATOM 3236 NH1 ARG B 3 2.769 2.364 -39.423 1.00 0.00 N +ATOM 3237 NH2 ARG B 3 3.082 4.026 -40.965 1.00 0.00 N +ATOM 3238 H ARG B 3 8.517 5.088 -37.184 1.00 0.00 H +ATOM 3239 HA ARG B 3 6.999 5.515 -34.927 1.00 0.00 H +ATOM 3240 HB2 ARG B 3 7.289 2.832 -36.448 1.00 0.00 H +ATOM 3241 HB3 ARG B 3 6.115 3.152 -35.277 1.00 0.00 H +ATOM 3242 HG2 ARG B 3 5.281 5.132 -36.690 1.00 0.00 H +ATOM 3243 HG3 ARG B 3 6.610 4.817 -37.878 1.00 0.00 H +ATOM 3244 HD2 ARG B 3 5.237 2.433 -37.996 1.00 0.00 H +ATOM 3245 HD3 ARG B 3 4.169 3.457 -36.987 1.00 0.00 H +ATOM 3246 HE ARG B 3 4.741 4.918 -39.246 1.00 0.00 H +ATOM 3247 HH11 ARG B 3 2.950 1.788 -38.614 1.00 0.00 H +ATOM 3248 HH12 ARG B 3 2.068 2.065 -40.086 1.00 0.00 H +ATOM 3249 HH21 ARG B 3 3.546 4.858 -41.300 1.00 0.00 H +ATOM 3250 HH22 ARG B 3 2.392 3.536 -41.517 1.00 0.00 H +ATOM 3251 N ALA B 4 9.584 3.606 -34.012 1.00 0.00 N +ATOM 3252 CA ALA B 4 10.359 3.013 -32.950 1.00 0.00 C +ATOM 3253 C ALA B 4 10.301 3.859 -31.612 1.00 0.00 C +ATOM 3254 O ALA B 4 10.193 3.267 -30.538 1.00 0.00 O +ATOM 3255 CB ALA B 4 11.805 2.805 -33.405 1.00 0.00 C +ATOM 3256 H ALA B 4 9.903 3.476 -34.961 1.00 0.00 H +ATOM 3257 HA ALA B 4 10.025 2.002 -32.717 1.00 0.00 H +ATOM 3258 HB1 ALA B 4 12.378 2.253 -32.661 1.00 0.00 H +ATOM 3259 HB2 ALA B 4 11.761 2.292 -34.366 1.00 0.00 H +ATOM 3260 HB3 ALA B 4 12.228 3.797 -33.570 1.00 0.00 H +ATOM 3261 N ARG B 5 10.427 5.240 -31.767 1.00 0.00 N +ATOM 3262 CA ARG B 5 10.321 6.274 -30.706 1.00 0.00 C +ATOM 3263 C ARG B 5 9.013 6.114 -29.928 1.00 0.00 C +ATOM 3264 O ARG B 5 8.968 6.155 -28.702 1.00 0.00 O +ATOM 3265 CB ARG B 5 10.586 7.605 -31.316 1.00 0.00 C +ATOM 3266 CG ARG B 5 11.020 8.698 -30.235 1.00 0.00 C +ATOM 3267 CD ARG B 5 11.006 10.150 -30.877 1.00 0.00 C +ATOM 3268 NE ARG B 5 11.799 10.334 -32.123 1.00 0.00 N +ATOM 3269 CZ ARG B 5 11.354 10.403 -33.401 1.00 0.00 C +ATOM 3270 NH1 ARG B 5 10.112 10.175 -33.743 1.00 0.00 N +ATOM 3271 NH2 ARG B 5 12.197 10.609 -34.415 1.00 0.00 N +ATOM 3272 H ARG B 5 10.533 5.506 -32.735 1.00 0.00 H +ATOM 3273 HA ARG B 5 11.141 6.171 -29.996 1.00 0.00 H +ATOM 3274 HB2 ARG B 5 11.282 7.531 -32.151 1.00 0.00 H +ATOM 3275 HB3 ARG B 5 9.691 7.989 -31.807 1.00 0.00 H +ATOM 3276 HG2 ARG B 5 10.185 8.554 -29.549 1.00 0.00 H +ATOM 3277 HG3 ARG B 5 11.954 8.372 -29.778 1.00 0.00 H +ATOM 3278 HD2 ARG B 5 10.031 10.630 -30.794 1.00 0.00 H +ATOM 3279 HD3 ARG B 5 11.657 10.741 -30.232 1.00 0.00 H +ATOM 3280 HE ARG B 5 12.761 10.038 -32.042 1.00 0.00 H +ATOM 3281 HH11 ARG B 5 9.409 9.913 -33.067 1.00 0.00 H +ATOM 3282 HH12 ARG B 5 9.793 10.211 -34.701 1.00 0.00 H +ATOM 3283 HH21 ARG B 5 13.136 10.870 -34.147 1.00 0.00 H +ATOM 3284 HH22 ARG B 5 11.995 10.696 -35.400 1.00 0.00 H +ATOM 3285 N SER B 6 7.880 6.041 -30.596 1.00 0.00 N +ATOM 3286 CA SER B 6 6.606 5.977 -29.923 1.00 0.00 C +ATOM 3287 C SER B 6 6.464 4.752 -29.026 1.00 0.00 C +ATOM 3288 O SER B 6 5.860 4.870 -27.911 1.00 0.00 O +ATOM 3289 CB SER B 6 5.508 6.066 -31.001 1.00 0.00 C +ATOM 3290 OG SER B 6 5.435 7.316 -31.653 1.00 0.00 O +ATOM 3291 H SER B 6 7.846 6.086 -31.605 1.00 0.00 H +ATOM 3292 HA SER B 6 6.508 6.857 -29.286 1.00 0.00 H +ATOM 3293 HB2 SER B 6 5.606 5.208 -31.667 1.00 0.00 H +ATOM 3294 HB3 SER B 6 4.544 5.886 -30.526 1.00 0.00 H +ATOM 3295 HG SER B 6 5.330 7.990 -30.977 1.00 0.00 H +ATOM 3296 N THR B 7 6.999 3.582 -29.443 1.00 0.00 N +ATOM 3297 CA THR B 7 7.190 2.404 -28.547 1.00 0.00 C +ATOM 3298 C THR B 7 8.041 2.723 -27.250 1.00 0.00 C +ATOM 3299 O THR B 7 7.591 2.514 -26.124 1.00 0.00 O +ATOM 3300 CB THR B 7 7.792 1.132 -29.284 1.00 0.00 C +ATOM 3301 CG2 THR B 7 8.413 -0.005 -28.418 1.00 0.00 C +ATOM 3302 OG1 THR B 7 6.766 0.408 -30.051 1.00 0.00 O +ATOM 3303 H THR B 7 7.547 3.704 -30.282 1.00 0.00 H +ATOM 3304 HA THR B 7 6.166 2.139 -28.285 1.00 0.00 H +ATOM 3305 HB THR B 7 8.578 1.468 -29.959 1.00 0.00 H +ATOM 3306 HG1 THR B 7 7.277 -0.166 -30.627 1.00 0.00 H +ATOM 3307 HG21 THR B 7 7.923 -0.482 -27.569 1.00 0.00 H +ATOM 3308 HG22 THR B 7 8.742 -0.851 -29.021 1.00 0.00 H +ATOM 3309 HG23 THR B 7 9.384 0.338 -28.061 1.00 0.00 H +ATOM 3310 N LEU B 8 9.223 3.392 -27.521 1.00 0.00 N +ATOM 3311 CA LEU B 8 10.170 3.694 -26.456 1.00 0.00 C +ATOM 3312 C LEU B 8 9.562 4.708 -25.438 1.00 0.00 C +ATOM 3313 O LEU B 8 9.834 4.584 -24.243 1.00 0.00 O +ATOM 3314 CB LEU B 8 11.529 4.225 -27.068 1.00 0.00 C +ATOM 3315 CG LEU B 8 12.520 3.224 -27.627 1.00 0.00 C +ATOM 3316 CD1 LEU B 8 13.393 3.867 -28.646 1.00 0.00 C +ATOM 3317 CD2 LEU B 8 13.356 2.462 -26.580 1.00 0.00 C +ATOM 3318 H LEU B 8 9.531 3.467 -28.480 1.00 0.00 H +ATOM 3319 HA LEU B 8 10.316 2.739 -25.951 1.00 0.00 H +ATOM 3320 HB2 LEU B 8 11.211 4.954 -27.813 1.00 0.00 H +ATOM 3321 HB3 LEU B 8 12.081 4.839 -26.356 1.00 0.00 H +ATOM 3322 HG LEU B 8 12.040 2.411 -28.172 1.00 0.00 H +ATOM 3323 HD11 LEU B 8 14.177 3.163 -28.924 1.00 0.00 H +ATOM 3324 HD12 LEU B 8 12.821 4.143 -29.532 1.00 0.00 H +ATOM 3325 HD13 LEU B 8 13.892 4.700 -28.150 1.00 0.00 H +ATOM 3326 HD21 LEU B 8 13.646 2.972 -25.662 1.00 0.00 H +ATOM 3327 HD22 LEU B 8 12.786 1.635 -26.156 1.00 0.00 H +ATOM 3328 HD23 LEU B 8 14.244 2.040 -27.049 1.00 0.00 H +ATOM 3329 N GLN B 9 8.803 5.695 -25.945 1.00 0.00 N +ATOM 3330 CA GLN B 9 8.269 6.812 -25.126 1.00 0.00 C +ATOM 3331 C GLN B 9 7.246 6.218 -24.182 1.00 0.00 C +ATOM 3332 O GLN B 9 7.211 6.470 -23.016 1.00 0.00 O +ATOM 3333 CB GLN B 9 7.751 8.065 -25.979 1.00 0.00 C +ATOM 3334 CG GLN B 9 8.969 8.727 -26.616 1.00 0.00 C +ATOM 3335 CD GLN B 9 8.720 9.996 -27.486 1.00 0.00 C +ATOM 3336 NE2 GLN B 9 7.532 10.149 -28.037 1.00 0.00 N +ATOM 3337 OE1 GLN B 9 9.606 10.732 -27.824 1.00 0.00 O +ATOM 3338 H GLN B 9 8.794 5.686 -26.955 1.00 0.00 H +ATOM 3339 HA GLN B 9 9.045 7.164 -24.445 1.00 0.00 H +ATOM 3340 HB2 GLN B 9 7.111 7.691 -26.778 1.00 0.00 H +ATOM 3341 HB3 GLN B 9 7.163 8.660 -25.280 1.00 0.00 H +ATOM 3342 HG2 GLN B 9 9.602 9.066 -25.796 1.00 0.00 H +ATOM 3343 HG3 GLN B 9 9.648 8.031 -27.108 1.00 0.00 H +ATOM 3344 HE21 GLN B 9 6.771 9.552 -27.746 1.00 0.00 H +ATOM 3345 HE22 GLN B 9 7.377 10.806 -28.788 1.00 0.00 H +ATOM 3346 N LYS B 10 6.300 5.520 -24.783 1.00 0.00 N +ATOM 3347 CA LYS B 10 5.327 4.675 -24.101 1.00 0.00 C +ATOM 3348 C LYS B 10 5.939 3.730 -23.035 1.00 0.00 C +ATOM 3349 O LYS B 10 5.478 3.803 -21.887 1.00 0.00 O +ATOM 3350 CB LYS B 10 4.460 3.904 -25.074 1.00 0.00 C +ATOM 3351 CG LYS B 10 3.401 4.634 -25.860 1.00 0.00 C +ATOM 3352 CD LYS B 10 2.442 3.654 -26.627 1.00 0.00 C +ATOM 3353 CE LYS B 10 2.964 3.050 -27.958 1.00 0.00 C +ATOM 3354 NZ LYS B 10 2.014 2.107 -28.431 1.00 0.00 N +ATOM 3355 H LYS B 10 6.345 5.382 -25.783 1.00 0.00 H +ATOM 3356 HA LYS B 10 4.633 5.382 -23.647 1.00 0.00 H +ATOM 3357 HB2 LYS B 10 5.032 3.401 -25.854 1.00 0.00 H +ATOM 3358 HB3 LYS B 10 3.966 3.142 -24.471 1.00 0.00 H +ATOM 3359 HG2 LYS B 10 2.928 5.173 -25.038 1.00 0.00 H +ATOM 3360 HG3 LYS B 10 3.912 5.322 -26.534 1.00 0.00 H +ATOM 3361 HD2 LYS B 10 2.115 2.868 -25.946 1.00 0.00 H +ATOM 3362 HD3 LYS B 10 1.553 4.206 -26.931 1.00 0.00 H +ATOM 3363 HE2 LYS B 10 3.164 3.896 -28.616 1.00 0.00 H +ATOM 3364 HE3 LYS B 10 3.865 2.468 -27.764 1.00 0.00 H +ATOM 3365 HZ1 LYS B 10 1.197 2.519 -28.860 1.00 0.00 H +ATOM 3366 HZ2 LYS B 10 2.586 1.636 -29.117 1.00 0.00 H +ATOM 3367 HZ3 LYS B 10 1.644 1.452 -27.758 1.00 0.00 H +ATOM 3368 N GLU B 11 7.022 3.020 -23.287 1.00 0.00 N +ATOM 3369 CA GLU B 11 7.764 2.367 -22.269 1.00 0.00 C +ATOM 3370 C GLU B 11 8.280 3.267 -21.168 1.00 0.00 C +ATOM 3371 O GLU B 11 8.082 2.908 -20.041 1.00 0.00 O +ATOM 3372 CB GLU B 11 8.896 1.508 -22.920 1.00 0.00 C +ATOM 3373 CG GLU B 11 8.253 0.384 -23.803 1.00 0.00 C +ATOM 3374 CD GLU B 11 7.289 -0.564 -23.033 1.00 0.00 C +ATOM 3375 OE1 GLU B 11 7.871 -1.395 -22.301 1.00 0.00 O +ATOM 3376 OE2 GLU B 11 6.057 -0.326 -23.144 1.00 0.00 O +ATOM 3377 H GLU B 11 7.348 2.940 -24.239 1.00 0.00 H +ATOM 3378 HA GLU B 11 7.040 1.695 -21.807 1.00 0.00 H +ATOM 3379 HB2 GLU B 11 9.473 2.186 -23.549 1.00 0.00 H +ATOM 3380 HB3 GLU B 11 9.589 1.090 -22.190 1.00 0.00 H +ATOM 3381 HG2 GLU B 11 7.655 0.746 -24.640 1.00 0.00 H +ATOM 3382 HG3 GLU B 11 9.052 -0.188 -24.275 1.00 0.00 H +ATOM 3383 N VAL B 12 8.821 4.412 -21.505 1.00 0.00 N +ATOM 3384 CA VAL B 12 9.468 5.297 -20.526 1.00 0.00 C +ATOM 3385 C VAL B 12 8.439 5.938 -19.532 1.00 0.00 C +ATOM 3386 O VAL B 12 8.728 6.045 -18.315 1.00 0.00 O +ATOM 3387 CB VAL B 12 10.311 6.393 -21.119 1.00 0.00 C +ATOM 3388 CG1 VAL B 12 10.454 7.738 -20.330 1.00 0.00 C +ATOM 3389 CG2 VAL B 12 11.701 5.765 -21.464 1.00 0.00 C +ATOM 3390 H VAL B 12 9.029 4.625 -22.470 1.00 0.00 H +ATOM 3391 HA VAL B 12 10.070 4.576 -19.974 1.00 0.00 H +ATOM 3392 HB VAL B 12 9.707 6.676 -21.981 1.00 0.00 H +ATOM 3393 HG11 VAL B 12 10.810 7.842 -19.305 1.00 0.00 H +ATOM 3394 HG12 VAL B 12 11.144 8.314 -20.947 1.00 0.00 H +ATOM 3395 HG13 VAL B 12 9.532 8.284 -20.533 1.00 0.00 H +ATOM 3396 HG21 VAL B 12 12.258 5.521 -20.560 1.00 0.00 H +ATOM 3397 HG22 VAL B 12 11.739 4.898 -22.124 1.00 0.00 H +ATOM 3398 HG23 VAL B 12 12.211 6.538 -22.039 1.00 0.00 H +ATOM 3399 N HIS B 13 7.230 6.202 -20.069 1.00 0.00 N +ATOM 3400 CA HIS B 13 6.150 6.776 -19.309 1.00 0.00 C +ATOM 3401 C HIS B 13 5.512 5.853 -18.312 1.00 0.00 C +ATOM 3402 O HIS B 13 5.028 6.384 -17.331 1.00 0.00 O +ATOM 3403 CB HIS B 13 5.054 7.065 -20.372 1.00 0.00 C +ATOM 3404 CG HIS B 13 3.822 7.825 -20.014 1.00 0.00 C +ATOM 3405 CD2 HIS B 13 2.551 7.534 -20.402 1.00 0.00 C +ATOM 3406 ND1 HIS B 13 3.838 9.028 -19.294 1.00 0.00 N +ATOM 3407 CE1 HIS B 13 2.484 9.265 -19.147 1.00 0.00 C +ATOM 3408 NE2 HIS B 13 1.698 8.506 -19.850 1.00 0.00 N +ATOM 3409 H HIS B 13 7.156 6.033 -21.062 1.00 0.00 H +ATOM 3410 HA HIS B 13 6.455 7.687 -18.794 1.00 0.00 H +ATOM 3411 HB2 HIS B 13 5.315 7.631 -21.266 1.00 0.00 H +ATOM 3412 HB3 HIS B 13 4.648 6.095 -20.660 1.00 0.00 H +ATOM 3413 HD2 HIS B 13 2.254 6.668 -20.974 1.00 0.00 H +ATOM 3414 HE1 HIS B 13 2.077 10.105 -18.605 1.00 0.00 H +ATOM 3415 HE2 HIS B 13 0.704 8.675 -19.920 1.00 0.00 H +ATOM 3416 N ALA B 14 5.715 4.502 -18.441 1.00 0.00 N +ATOM 3417 CA ALA B 14 5.300 3.408 -17.575 1.00 0.00 C +ATOM 3418 C ALA B 14 6.221 3.330 -16.389 1.00 0.00 C +ATOM 3419 O ALA B 14 5.745 2.900 -15.334 1.00 0.00 O +ATOM 3420 CB ALA B 14 5.248 1.998 -18.250 1.00 0.00 C +ATOM 3421 H ALA B 14 6.138 4.211 -19.311 1.00 0.00 H +ATOM 3422 HA ALA B 14 4.315 3.737 -17.244 1.00 0.00 H +ATOM 3423 HB1 ALA B 14 4.824 1.155 -17.705 1.00 0.00 H +ATOM 3424 HB2 ALA B 14 4.453 2.054 -18.993 1.00 0.00 H +ATOM 3425 HB3 ALA B 14 6.179 1.796 -18.780 1.00 0.00 H +ATOM 3426 N ALA B 15 7.502 3.746 -16.554 1.00 0.00 N +ATOM 3427 CA ALA B 15 8.399 3.769 -15.343 1.00 0.00 C +ATOM 3428 C ALA B 15 7.875 4.908 -14.455 1.00 0.00 C +ATOM 3429 O ALA B 15 7.483 4.645 -13.295 1.00 0.00 O +ATOM 3430 CB ALA B 15 9.931 4.012 -15.655 1.00 0.00 C +ATOM 3431 H ALA B 15 7.971 3.846 -17.442 1.00 0.00 H +ATOM 3432 HA ALA B 15 8.259 2.810 -14.844 1.00 0.00 H +ATOM 3433 HB1 ALA B 15 10.221 4.905 -16.209 1.00 0.00 H +ATOM 3434 HB2 ALA B 15 10.537 4.228 -14.776 1.00 0.00 H +ATOM 3435 HB3 ALA B 15 10.406 3.141 -16.106 1.00 0.00 H +ATOM 3436 N LYS B 16 7.840 6.064 -15.098 1.00 0.00 N +ATOM 3437 CA LYS B 16 7.381 7.370 -14.531 1.00 0.00 C +ATOM 3438 C LYS B 16 5.988 7.309 -13.813 1.00 0.00 C +ATOM 3439 O LYS B 16 5.865 7.624 -12.584 1.00 0.00 O +ATOM 3440 CB LYS B 16 7.350 8.397 -15.731 1.00 0.00 C +ATOM 3441 CG LYS B 16 8.732 8.738 -16.285 1.00 0.00 C +ATOM 3442 CD LYS B 16 8.633 9.826 -17.438 1.00 0.00 C +ATOM 3443 CE LYS B 16 9.949 10.545 -17.977 1.00 0.00 C +ATOM 3444 NZ LYS B 16 9.512 11.682 -18.721 1.00 0.00 N +ATOM 3445 H LYS B 16 8.226 6.037 -16.030 1.00 0.00 H +ATOM 3446 HA LYS B 16 8.033 7.812 -13.778 1.00 0.00 H +ATOM 3447 HB2 LYS B 16 6.729 8.011 -16.539 1.00 0.00 H +ATOM 3448 HB3 LYS B 16 6.847 9.310 -15.412 1.00 0.00 H +ATOM 3449 HG2 LYS B 16 9.422 9.133 -15.539 1.00 0.00 H +ATOM 3450 HG3 LYS B 16 9.296 7.868 -16.620 1.00 0.00 H +ATOM 3451 HD2 LYS B 16 8.327 9.255 -18.315 1.00 0.00 H +ATOM 3452 HD3 LYS B 16 7.779 10.468 -17.222 1.00 0.00 H +ATOM 3453 HE2 LYS B 16 10.663 10.937 -17.252 1.00 0.00 H +ATOM 3454 HE3 LYS B 16 10.571 9.870 -18.564 1.00 0.00 H +ATOM 3455 HZ1 LYS B 16 8.841 12.312 -18.308 1.00 0.00 H +ATOM 3456 HZ2 LYS B 16 10.336 12.182 -19.025 1.00 0.00 H +ATOM 3457 HZ3 LYS B 16 9.087 11.394 -19.591 1.00 0.00 H +ATOM 3458 N SER B 17 4.967 6.778 -14.539 1.00 0.00 N +ATOM 3459 CA SER B 17 3.666 6.566 -13.901 1.00 0.00 C +ATOM 3460 C SER B 17 3.558 5.640 -12.651 1.00 0.00 C +ATOM 3461 O SER B 17 2.800 5.925 -11.674 1.00 0.00 O +ATOM 3462 CB SER B 17 2.736 5.830 -14.865 1.00 0.00 C +ATOM 3463 OG SER B 17 2.457 6.711 -15.927 1.00 0.00 O +ATOM 3464 H SER B 17 5.129 6.418 -15.468 1.00 0.00 H +ATOM 3465 HA SER B 17 3.276 7.528 -13.569 1.00 0.00 H +ATOM 3466 HB2 SER B 17 3.184 5.021 -15.442 1.00 0.00 H +ATOM 3467 HB3 SER B 17 1.824 5.522 -14.353 1.00 0.00 H +ATOM 3468 HG SER B 17 2.783 6.305 -16.733 1.00 0.00 H +ATOM 3469 N ALA B 18 4.552 4.739 -12.550 1.00 0.00 N +ATOM 3470 CA ALA B 18 4.698 3.703 -11.512 1.00 0.00 C +ATOM 3471 C ALA B 18 5.514 4.226 -10.340 1.00 0.00 C +ATOM 3472 O ALA B 18 5.071 4.111 -9.171 1.00 0.00 O +ATOM 3473 CB ALA B 18 5.233 2.415 -12.207 1.00 0.00 C +ATOM 3474 H ALA B 18 5.355 4.764 -13.161 1.00 0.00 H +ATOM 3475 HA ALA B 18 3.761 3.315 -11.111 1.00 0.00 H +ATOM 3476 HB1 ALA B 18 5.571 1.653 -11.505 1.00 0.00 H +ATOM 3477 HB2 ALA B 18 4.509 1.997 -12.907 1.00 0.00 H +ATOM 3478 HB3 ALA B 18 6.036 2.621 -12.915 1.00 0.00 H +ATOM 3479 N ALA B 19 6.635 4.910 -10.640 1.00 0.00 N +ATOM 3480 CA ALA B 19 7.422 5.819 -9.756 1.00 0.00 C +ATOM 3481 C ALA B 19 6.610 6.868 -9.066 1.00 0.00 C +ATOM 3482 O ALA B 19 6.727 6.992 -7.858 1.00 0.00 O +ATOM 3483 CB ALA B 19 8.504 6.488 -10.693 1.00 0.00 C +ATOM 3484 H ALA B 19 6.789 4.942 -11.638 1.00 0.00 H +ATOM 3485 HA ALA B 19 8.009 5.246 -9.039 1.00 0.00 H +ATOM 3486 HB1 ALA B 19 7.935 6.996 -11.471 1.00 0.00 H +ATOM 3487 HB2 ALA B 19 9.102 7.242 -10.183 1.00 0.00 H +ATOM 3488 HB3 ALA B 19 9.067 5.766 -11.285 1.00 0.00 H +ATOM 3489 N ILE B 20 5.714 7.594 -9.730 1.00 0.00 N +ATOM 3490 CA ILE B 20 4.773 8.588 -9.050 1.00 0.00 C +ATOM 3491 C ILE B 20 3.842 8.086 -7.982 1.00 0.00 C +ATOM 3492 O ILE B 20 3.793 8.713 -6.927 1.00 0.00 O +ATOM 3493 CB ILE B 20 3.971 9.362 -10.149 1.00 0.00 C +ATOM 3494 CG1 ILE B 20 4.943 10.354 -10.780 1.00 0.00 C +ATOM 3495 CG2 ILE B 20 2.667 10.072 -9.810 1.00 0.00 C +ATOM 3496 CD1 ILE B 20 4.655 10.686 -12.231 1.00 0.00 C +ATOM 3497 H ILE B 20 5.605 7.390 -10.713 1.00 0.00 H +ATOM 3498 HA ILE B 20 5.280 9.393 -8.518 1.00 0.00 H +ATOM 3499 HB ILE B 20 3.720 8.651 -10.936 1.00 0.00 H +ATOM 3500 HG12 ILE B 20 5.194 11.258 -10.225 1.00 0.00 H +ATOM 3501 HG13 ILE B 20 5.952 9.949 -10.852 1.00 0.00 H +ATOM 3502 HG21 ILE B 20 2.007 9.327 -9.366 1.00 0.00 H +ATOM 3503 HG22 ILE B 20 2.842 10.896 -9.119 1.00 0.00 H +ATOM 3504 HG23 ILE B 20 2.197 10.426 -10.728 1.00 0.00 H +ATOM 3505 HD11 ILE B 20 3.830 11.393 -12.329 1.00 0.00 H +ATOM 3506 HD12 ILE B 20 5.514 11.129 -12.734 1.00 0.00 H +ATOM 3507 HD13 ILE B 20 4.427 9.789 -12.807 1.00 0.00 H +ATOM 3508 N ILE B 21 3.233 6.918 -8.336 1.00 0.00 N +ATOM 3509 CA ILE B 21 2.318 6.170 -7.438 1.00 0.00 C +ATOM 3510 C ILE B 21 3.120 5.567 -6.285 1.00 0.00 C +ATOM 3511 O ILE B 21 2.677 5.661 -5.109 1.00 0.00 O +ATOM 3512 CB ILE B 21 1.490 5.060 -8.150 1.00 0.00 C +ATOM 3513 CG1 ILE B 21 0.528 5.688 -9.133 1.00 0.00 C +ATOM 3514 CG2 ILE B 21 0.680 4.111 -7.221 1.00 0.00 C +ATOM 3515 CD1 ILE B 21 -0.009 4.695 -10.162 1.00 0.00 C +ATOM 3516 H ILE B 21 3.383 6.429 -9.207 1.00 0.00 H +ATOM 3517 HA ILE B 21 1.646 6.907 -6.997 1.00 0.00 H +ATOM 3518 HB ILE B 21 2.186 4.441 -8.717 1.00 0.00 H +ATOM 3519 HG12 ILE B 21 -0.233 6.169 -8.519 1.00 0.00 H +ATOM 3520 HG13 ILE B 21 1.086 6.379 -9.764 1.00 0.00 H +ATOM 3521 HG21 ILE B 21 0.010 3.364 -7.648 1.00 0.00 H +ATOM 3522 HG22 ILE B 21 1.356 3.583 -6.549 1.00 0.00 H +ATOM 3523 HG23 ILE B 21 0.128 4.728 -6.512 1.00 0.00 H +ATOM 3524 HD11 ILE B 21 -0.959 4.228 -9.903 1.00 0.00 H +ATOM 3525 HD12 ILE B 21 -0.138 5.197 -11.121 1.00 0.00 H +ATOM 3526 HD13 ILE B 21 0.583 3.784 -10.246 1.00 0.00 H +ATOM 3527 N ALA B 22 4.272 4.963 -6.543 1.00 0.00 N +ATOM 3528 CA ALA B 22 5.255 4.602 -5.479 1.00 0.00 C +ATOM 3529 C ALA B 22 5.680 5.737 -4.509 1.00 0.00 C +ATOM 3530 O ALA B 22 5.822 5.457 -3.320 1.00 0.00 O +ATOM 3531 CB ALA B 22 6.524 3.935 -6.101 1.00 0.00 C +ATOM 3532 H ALA B 22 4.557 4.851 -7.505 1.00 0.00 H +ATOM 3533 HA ALA B 22 4.737 3.789 -4.968 1.00 0.00 H +ATOM 3534 HB1 ALA B 22 7.368 3.918 -5.412 1.00 0.00 H +ATOM 3535 HB2 ALA B 22 6.242 2.895 -6.263 1.00 0.00 H +ATOM 3536 HB3 ALA B 22 6.954 4.419 -6.977 1.00 0.00 H +ATOM 3537 N GLY B 23 5.986 6.850 -5.046 1.00 0.00 N +ATOM 3538 CA GLY B 23 6.401 7.996 -4.224 1.00 0.00 C +ATOM 3539 C GLY B 23 5.300 8.663 -3.419 1.00 0.00 C +ATOM 3540 O GLY B 23 5.565 9.088 -2.276 1.00 0.00 O +ATOM 3541 H GLY B 23 5.907 7.143 -6.009 1.00 0.00 H +ATOM 3542 HA2 GLY B 23 7.161 7.709 -3.498 1.00 0.00 H +ATOM 3543 HA3 GLY B 23 6.907 8.649 -4.935 1.00 0.00 H +ATOM 3544 N LEU B 24 4.095 8.808 -3.986 1.00 0.00 N +ATOM 3545 CA LEU B 24 2.926 9.313 -3.252 1.00 0.00 C +ATOM 3546 C LEU B 24 2.433 8.304 -2.203 1.00 0.00 C +ATOM 3547 O LEU B 24 2.014 8.721 -1.118 1.00 0.00 O +ATOM 3548 CB LEU B 24 1.855 9.652 -4.273 1.00 0.00 C +ATOM 3549 CG LEU B 24 2.178 10.898 -5.244 1.00 0.00 C +ATOM 3550 CD1 LEU B 24 1.298 10.842 -6.500 1.00 0.00 C +ATOM 3551 CD2 LEU B 24 1.971 12.145 -4.356 1.00 0.00 C +ATOM 3552 H LEU B 24 3.948 8.483 -4.931 1.00 0.00 H +ATOM 3553 HA LEU B 24 3.211 10.291 -2.865 1.00 0.00 H +ATOM 3554 HB2 LEU B 24 1.760 8.778 -4.916 1.00 0.00 H +ATOM 3555 HB3 LEU B 24 0.843 9.750 -3.880 1.00 0.00 H +ATOM 3556 HG LEU B 24 3.230 10.784 -5.503 1.00 0.00 H +ATOM 3557 HD11 LEU B 24 0.858 9.859 -6.669 1.00 0.00 H +ATOM 3558 HD12 LEU B 24 0.527 11.611 -6.540 1.00 0.00 H +ATOM 3559 HD13 LEU B 24 1.863 11.118 -7.389 1.00 0.00 H +ATOM 3560 HD21 LEU B 24 1.677 13.062 -4.866 1.00 0.00 H +ATOM 3561 HD22 LEU B 24 1.221 12.059 -3.570 1.00 0.00 H +ATOM 3562 HD23 LEU B 24 2.903 12.444 -3.875 1.00 0.00 H +ATOM 3563 N PHE B 25 2.479 7.006 -2.469 1.00 0.00 N +ATOM 3564 CA PHE B 25 2.389 5.947 -1.479 1.00 0.00 C +ATOM 3565 C PHE B 25 3.395 6.146 -0.316 1.00 0.00 C +ATOM 3566 O PHE B 25 2.966 6.180 0.822 1.00 0.00 O +ATOM 3567 CB PHE B 25 2.456 4.536 -2.183 1.00 0.00 C +ATOM 3568 CG PHE B 25 2.564 3.291 -1.245 1.00 0.00 C +ATOM 3569 CD1 PHE B 25 3.788 2.970 -0.588 1.00 0.00 C +ATOM 3570 CD2 PHE B 25 1.472 2.372 -1.114 1.00 0.00 C +ATOM 3571 CE1 PHE B 25 3.821 1.953 0.324 1.00 0.00 C +ATOM 3572 CE2 PHE B 25 1.575 1.270 -0.280 1.00 0.00 C +ATOM 3573 CZ PHE B 25 2.697 1.080 0.488 1.00 0.00 C +ATOM 3574 H PHE B 25 2.554 6.626 -3.402 1.00 0.00 H +ATOM 3575 HA PHE B 25 1.451 6.061 -0.936 1.00 0.00 H +ATOM 3576 HB2 PHE B 25 1.548 4.457 -2.780 1.00 0.00 H +ATOM 3577 HB3 PHE B 25 3.354 4.531 -2.801 1.00 0.00 H +ATOM 3578 HD1 PHE B 25 4.728 3.476 -0.757 1.00 0.00 H +ATOM 3579 HD2 PHE B 25 0.561 2.594 -1.649 1.00 0.00 H +ATOM 3580 HE1 PHE B 25 4.756 1.830 0.851 1.00 0.00 H +ATOM 3581 HE2 PHE B 25 0.777 0.543 -0.231 1.00 0.00 H +ATOM 3582 HZ PHE B 25 2.735 0.221 1.142 1.00 0.00 H +ATOM 3583 N ALA B 26 4.688 6.270 -0.641 1.00 0.00 N +ATOM 3584 CA ALA B 26 5.735 6.432 0.297 1.00 0.00 C +ATOM 3585 C ALA B 26 5.664 7.727 1.198 1.00 0.00 C +ATOM 3586 O ALA B 26 5.885 7.696 2.396 1.00 0.00 O +ATOM 3587 CB ALA B 26 7.040 6.270 -0.411 1.00 0.00 C +ATOM 3588 H ALA B 26 4.879 6.143 -1.625 1.00 0.00 H +ATOM 3589 HA ALA B 26 5.562 5.615 0.998 1.00 0.00 H +ATOM 3590 HB1 ALA B 26 6.902 5.303 -0.897 1.00 0.00 H +ATOM 3591 HB2 ALA B 26 7.184 7.085 -1.121 1.00 0.00 H +ATOM 3592 HB3 ALA B 26 7.858 6.415 0.294 1.00 0.00 H +ATOM 3593 N LEU B 27 5.109 8.760 0.639 1.00 0.00 N +ATOM 3594 CA LEU B 27 4.697 9.977 1.373 1.00 0.00 C +ATOM 3595 C LEU B 27 3.685 9.711 2.415 1.00 0.00 C +ATOM 3596 O LEU B 27 3.804 10.295 3.444 1.00 0.00 O +ATOM 3597 CB LEU B 27 4.283 11.012 0.275 1.00 0.00 C +ATOM 3598 CG LEU B 27 3.875 12.436 0.754 1.00 0.00 C +ATOM 3599 CD1 LEU B 27 4.413 13.500 -0.275 1.00 0.00 C +ATOM 3600 CD2 LEU B 27 2.462 12.511 1.163 1.00 0.00 C +ATOM 3601 H LEU B 27 4.646 8.650 -0.252 1.00 0.00 H +ATOM 3602 HA LEU B 27 5.521 10.397 1.950 1.00 0.00 H +ATOM 3603 HB2 LEU B 27 5.111 11.086 -0.430 1.00 0.00 H +ATOM 3604 HB3 LEU B 27 3.442 10.573 -0.261 1.00 0.00 H +ATOM 3605 HG LEU B 27 4.494 12.479 1.650 1.00 0.00 H +ATOM 3606 HD11 LEU B 27 3.650 14.210 -0.595 1.00 0.00 H +ATOM 3607 HD12 LEU B 27 5.123 14.105 0.289 1.00 0.00 H +ATOM 3608 HD13 LEU B 27 5.009 13.023 -1.053 1.00 0.00 H +ATOM 3609 HD21 LEU B 27 1.801 11.865 0.585 1.00 0.00 H +ATOM 3610 HD22 LEU B 27 2.398 12.179 2.200 1.00 0.00 H +ATOM 3611 HD23 LEU B 27 2.145 13.550 1.076 1.00 0.00 H +ATOM 3612 N CYS B 28 2.678 8.839 2.020 1.00 0.00 N +ATOM 3613 CA CYS B 28 1.479 8.555 2.810 1.00 0.00 C +ATOM 3614 C CYS B 28 1.832 7.782 4.102 1.00 0.00 C +ATOM 3615 O CYS B 28 1.113 7.922 5.132 1.00 0.00 O +ATOM 3616 CB CYS B 28 0.439 7.714 2.022 1.00 0.00 C +ATOM 3617 SG CYS B 28 -0.178 8.855 0.803 1.00 0.00 S +ATOM 3618 H CYS B 28 2.673 8.475 1.078 1.00 0.00 H +ATOM 3619 HA CYS B 28 1.046 9.530 3.035 1.00 0.00 H +ATOM 3620 HB2 CYS B 28 0.821 6.741 1.714 1.00 0.00 H +ATOM 3621 HB3 CYS B 28 -0.376 7.531 2.723 1.00 0.00 H +ATOM 3622 HG CYS B 28 0.874 8.773 -0.017 1.00 0.00 H +ATOM 3623 N TRP B 29 2.878 6.909 4.045 1.00 0.00 N +ATOM 3624 CA TRP B 29 3.066 5.945 5.117 1.00 0.00 C +ATOM 3625 C TRP B 29 4.329 6.331 5.955 1.00 0.00 C +ATOM 3626 O TRP B 29 4.360 5.879 7.125 1.00 0.00 O +ATOM 3627 CB TRP B 29 3.294 4.553 4.571 1.00 0.00 C +ATOM 3628 CG TRP B 29 2.028 3.789 4.276 1.00 0.00 C +ATOM 3629 CD1 TRP B 29 1.583 3.481 3.037 1.00 0.00 C +ATOM 3630 CD2 TRP B 29 1.018 3.288 5.217 1.00 0.00 C +ATOM 3631 CE2 TRP B 29 -0.031 2.557 4.472 1.00 0.00 C +ATOM 3632 CE3 TRP B 29 0.950 3.217 6.692 1.00 0.00 C +ATOM 3633 NE1 TRP B 29 0.407 2.652 3.088 1.00 0.00 N +ATOM 3634 CZ2 TRP B 29 -0.989 1.737 5.180 1.00 0.00 C +ATOM 3635 CZ3 TRP B 29 -0.029 2.387 7.339 1.00 0.00 C +ATOM 3636 CH2 TRP B 29 -0.973 1.700 6.614 1.00 0.00 C +ATOM 3637 H TRP B 29 3.396 6.794 3.186 1.00 0.00 H +ATOM 3638 HA TRP B 29 2.308 5.899 5.899 1.00 0.00 H +ATOM 3639 HB2 TRP B 29 4.117 4.507 3.858 1.00 0.00 H +ATOM 3640 HB3 TRP B 29 3.754 4.038 5.414 1.00 0.00 H +ATOM 3641 HD1 TRP B 29 2.217 3.685 2.186 1.00 0.00 H +ATOM 3642 HE1 TRP B 29 -0.079 2.249 2.299 1.00 0.00 H +ATOM 3643 HE3 TRP B 29 1.530 3.850 7.347 1.00 0.00 H +ATOM 3644 HZ2 TRP B 29 -1.668 1.065 4.677 1.00 0.00 H +ATOM 3645 HZ3 TRP B 29 -0.188 2.360 8.407 1.00 0.00 H +ATOM 3646 HH2 TRP B 29 -1.619 1.093 7.230 1.00 0.00 H +ATOM 3647 N LEU B 30 5.325 7.049 5.401 1.00 0.00 N +ATOM 3648 CA LEU B 30 6.564 7.467 6.167 1.00 0.00 C +ATOM 3649 C LEU B 30 6.260 8.345 7.386 1.00 0.00 C +ATOM 3650 O LEU B 30 6.991 8.228 8.395 1.00 0.00 O +ATOM 3651 CB LEU B 30 7.630 8.010 5.150 1.00 0.00 C +ATOM 3652 CG LEU B 30 8.398 6.986 4.262 1.00 0.00 C +ATOM 3653 CD1 LEU B 30 9.044 7.580 3.004 1.00 0.00 C +ATOM 3654 CD2 LEU B 30 9.322 6.125 5.033 1.00 0.00 C +ATOM 3655 H LEU B 30 5.241 7.284 4.422 1.00 0.00 H +ATOM 3656 HA LEU B 30 7.009 6.533 6.511 1.00 0.00 H +ATOM 3657 HB2 LEU B 30 7.076 8.728 4.545 1.00 0.00 H +ATOM 3658 HB3 LEU B 30 8.404 8.547 5.698 1.00 0.00 H +ATOM 3659 HG LEU B 30 7.601 6.328 3.916 1.00 0.00 H +ATOM 3660 HD11 LEU B 30 8.790 8.618 2.792 1.00 0.00 H +ATOM 3661 HD12 LEU B 30 10.123 7.503 3.135 1.00 0.00 H +ATOM 3662 HD13 LEU B 30 8.682 7.010 2.148 1.00 0.00 H +ATOM 3663 HD21 LEU B 30 9.975 6.778 5.612 1.00 0.00 H +ATOM 3664 HD22 LEU B 30 8.850 5.476 5.771 1.00 0.00 H +ATOM 3665 HD23 LEU B 30 9.950 5.546 4.356 1.00 0.00 H +ATOM 3666 N PRO B 31 5.268 9.214 7.456 1.00 0.00 N +ATOM 3667 CA PRO B 31 4.906 9.963 8.656 1.00 0.00 C +ATOM 3668 C PRO B 31 4.728 9.106 9.882 1.00 0.00 C +ATOM 3669 O PRO B 31 5.425 9.352 10.879 1.00 0.00 O +ATOM 3670 CB PRO B 31 3.702 10.820 8.297 1.00 0.00 C +ATOM 3671 CG PRO B 31 3.880 11.033 6.831 1.00 0.00 C +ATOM 3672 CD PRO B 31 4.531 9.748 6.312 1.00 0.00 C +ATOM 3673 HA PRO B 31 5.760 10.598 8.892 1.00 0.00 H +ATOM 3674 HB2 PRO B 31 2.764 10.266 8.298 1.00 0.00 H +ATOM 3675 HB3 PRO B 31 3.577 11.742 8.865 1.00 0.00 H +ATOM 3676 HG2 PRO B 31 3.077 11.480 6.245 1.00 0.00 H +ATOM 3677 HG3 PRO B 31 4.712 11.728 6.719 1.00 0.00 H +ATOM 3678 HD2 PRO B 31 3.762 9.058 5.966 1.00 0.00 H +ATOM 3679 HD3 PRO B 31 5.166 9.876 5.436 1.00 0.00 H +ATOM 3680 N LEU B 32 3.848 8.120 9.833 1.00 0.00 N +ATOM 3681 CA LEU B 32 3.807 6.994 10.855 1.00 0.00 C +ATOM 3682 C LEU B 32 5.162 6.284 11.272 1.00 0.00 C +ATOM 3683 O LEU B 32 5.476 6.241 12.488 1.00 0.00 O +ATOM 3684 CB LEU B 32 2.704 5.985 10.497 1.00 0.00 C +ATOM 3685 CG LEU B 32 1.248 6.528 10.699 1.00 0.00 C +ATOM 3686 CD1 LEU B 32 0.266 5.508 10.049 1.00 0.00 C +ATOM 3687 CD2 LEU B 32 0.934 6.866 12.178 1.00 0.00 C +ATOM 3688 H LEU B 32 3.397 7.902 8.956 1.00 0.00 H +ATOM 3689 HA LEU B 32 3.495 7.300 11.854 1.00 0.00 H +ATOM 3690 HB2 LEU B 32 2.865 5.715 9.453 1.00 0.00 H +ATOM 3691 HB3 LEU B 32 2.883 5.009 10.947 1.00 0.00 H +ATOM 3692 HG LEU B 32 1.009 7.367 10.045 1.00 0.00 H +ATOM 3693 HD11 LEU B 32 -0.138 5.758 9.068 1.00 0.00 H +ATOM 3694 HD12 LEU B 32 0.806 4.601 9.777 1.00 0.00 H +ATOM 3695 HD13 LEU B 32 -0.553 5.264 10.726 1.00 0.00 H +ATOM 3696 HD21 LEU B 32 1.073 7.925 12.397 1.00 0.00 H +ATOM 3697 HD22 LEU B 32 -0.102 6.637 12.431 1.00 0.00 H +ATOM 3698 HD23 LEU B 32 1.620 6.369 12.863 1.00 0.00 H +ATOM 3699 N HIS B 33 5.856 5.732 10.282 1.00 0.00 N +ATOM 3700 CA HIS B 33 7.157 5.036 10.516 1.00 0.00 C +ATOM 3701 C HIS B 33 8.176 5.971 11.341 1.00 0.00 C +ATOM 3702 O HIS B 33 8.726 5.588 12.371 1.00 0.00 O +ATOM 3703 CB HIS B 33 7.836 4.370 9.275 1.00 0.00 C +ATOM 3704 CG HIS B 33 6.917 3.222 8.844 1.00 0.00 C +ATOM 3705 CD2 HIS B 33 6.145 3.095 7.720 1.00 0.00 C +ATOM 3706 ND1 HIS B 33 6.679 2.116 9.645 1.00 0.00 N +ATOM 3707 CE1 HIS B 33 5.786 1.353 9.018 1.00 0.00 C +ATOM 3708 NE2 HIS B 33 5.463 1.856 7.792 1.00 0.00 N +ATOM 3709 H HIS B 33 5.647 5.909 9.310 1.00 0.00 H +ATOM 3710 HA HIS B 33 6.924 4.220 11.201 1.00 0.00 H +ATOM 3711 HB2 HIS B 33 7.952 5.047 8.428 1.00 0.00 H +ATOM 3712 HB3 HIS B 33 8.831 4.096 9.625 1.00 0.00 H +ATOM 3713 HD2 HIS B 33 6.062 3.718 6.841 1.00 0.00 H +ATOM 3714 HE1 HIS B 33 5.440 0.400 9.390 1.00 0.00 H +ATOM 3715 HE2 HIS B 33 4.796 1.341 7.236 1.00 0.00 H +ATOM 3716 N ILE B 34 8.320 7.198 10.821 1.00 0.00 N +ATOM 3717 CA ILE B 34 9.232 8.156 11.484 1.00 0.00 C +ATOM 3718 C ILE B 34 8.676 8.620 12.877 1.00 0.00 C +ATOM 3719 O ILE B 34 9.442 8.788 13.766 1.00 0.00 O +ATOM 3720 CB ILE B 34 9.571 9.408 10.499 1.00 0.00 C +ATOM 3721 CG1 ILE B 34 10.327 8.914 9.217 1.00 0.00 C +ATOM 3722 CG2 ILE B 34 10.339 10.510 11.213 1.00 0.00 C +ATOM 3723 CD1 ILE B 34 10.308 9.846 8.073 1.00 0.00 C +ATOM 3724 H ILE B 34 7.986 7.420 9.894 1.00 0.00 H +ATOM 3725 HA ILE B 34 10.221 7.701 11.535 1.00 0.00 H +ATOM 3726 HB ILE B 34 8.636 9.877 10.192 1.00 0.00 H +ATOM 3727 HG12 ILE B 34 11.376 8.633 9.311 1.00 0.00 H +ATOM 3728 HG13 ILE B 34 9.861 8.009 8.825 1.00 0.00 H +ATOM 3729 HG21 ILE B 34 11.174 10.169 11.826 1.00 0.00 H +ATOM 3730 HG22 ILE B 34 10.666 11.226 10.459 1.00 0.00 H +ATOM 3731 HG23 ILE B 34 9.729 11.079 11.915 1.00 0.00 H +ATOM 3732 HD11 ILE B 34 10.929 10.735 8.187 1.00 0.00 H +ATOM 3733 HD12 ILE B 34 10.435 9.365 7.103 1.00 0.00 H +ATOM 3734 HD13 ILE B 34 9.285 10.185 7.910 1.00 0.00 H +ATOM 3735 N ILE B 35 7.370 8.812 13.029 1.00 0.00 N +ATOM 3736 CA ILE B 35 6.759 9.230 14.338 1.00 0.00 C +ATOM 3737 C ILE B 35 7.016 8.079 15.397 1.00 0.00 C +ATOM 3738 O ILE B 35 7.343 8.350 16.548 1.00 0.00 O +ATOM 3739 CB ILE B 35 5.277 9.577 14.247 1.00 0.00 C +ATOM 3740 CG1 ILE B 35 5.048 11.045 13.763 1.00 0.00 C +ATOM 3741 CG2 ILE B 35 4.455 9.269 15.527 1.00 0.00 C +ATOM 3742 CD1 ILE B 35 3.680 11.304 13.093 1.00 0.00 C +ATOM 3743 H ILE B 35 6.739 8.765 12.242 1.00 0.00 H +ATOM 3744 HA ILE B 35 7.325 10.103 14.663 1.00 0.00 H +ATOM 3745 HB ILE B 35 4.882 8.878 13.510 1.00 0.00 H +ATOM 3746 HG12 ILE B 35 5.290 11.763 14.546 1.00 0.00 H +ATOM 3747 HG13 ILE B 35 5.757 11.404 13.018 1.00 0.00 H +ATOM 3748 HG21 ILE B 35 3.381 9.457 15.521 1.00 0.00 H +ATOM 3749 HG22 ILE B 35 4.324 8.190 15.602 1.00 0.00 H +ATOM 3750 HG23 ILE B 35 4.708 9.674 16.506 1.00 0.00 H +ATOM 3751 HD11 ILE B 35 3.133 10.514 12.577 1.00 0.00 H +ATOM 3752 HD12 ILE B 35 2.922 11.836 13.668 1.00 0.00 H +ATOM 3753 HD13 ILE B 35 3.831 12.100 12.364 1.00 0.00 H +ATOM 3754 N ASN B 36 6.885 6.812 14.920 1.00 0.00 N +ATOM 3755 CA ASN B 36 7.046 5.538 15.688 1.00 0.00 C +ATOM 3756 C ASN B 36 8.548 5.392 15.999 1.00 0.00 C +ATOM 3757 O ASN B 36 8.885 5.183 17.144 1.00 0.00 O +ATOM 3758 CB ASN B 36 6.499 4.258 14.948 1.00 0.00 C +ATOM 3759 CG ASN B 36 5.059 4.055 15.105 1.00 0.00 C +ATOM 3760 ND2 ASN B 36 4.614 3.039 14.413 1.00 0.00 N +ATOM 3761 OD1 ASN B 36 4.290 4.742 15.782 1.00 0.00 O +ATOM 3762 H ASN B 36 6.758 6.654 13.930 1.00 0.00 H +ATOM 3763 HA ASN B 36 6.535 5.633 16.646 1.00 0.00 H +ATOM 3764 HB2 ASN B 36 6.634 4.406 13.877 1.00 0.00 H +ATOM 3765 HB3 ASN B 36 6.947 3.358 15.369 1.00 0.00 H +ATOM 3766 HD21 ASN B 36 5.219 2.486 13.823 1.00 0.00 H +ATOM 3767 HD22 ASN B 36 3.634 2.830 14.290 1.00 0.00 H +ATOM 3768 N CYS B 37 9.395 5.745 15.045 1.00 0.00 N +ATOM 3769 CA CYS B 37 10.887 5.890 15.227 1.00 0.00 C +ATOM 3770 C CYS B 37 11.185 6.943 16.252 1.00 0.00 C +ATOM 3771 O CYS B 37 11.859 6.703 17.237 1.00 0.00 O +ATOM 3772 CB CYS B 37 11.735 6.282 13.982 1.00 0.00 C +ATOM 3773 SG CYS B 37 12.225 4.831 13.066 1.00 0.00 S +ATOM 3774 H CYS B 37 9.085 5.742 14.084 1.00 0.00 H +ATOM 3775 HA CYS B 37 11.265 4.960 15.654 1.00 0.00 H +ATOM 3776 HB2 CYS B 37 11.222 6.975 13.314 1.00 0.00 H +ATOM 3777 HB3 CYS B 37 12.648 6.803 14.270 1.00 0.00 H +ATOM 3778 HG CYS B 37 11.012 4.336 12.803 1.00 0.00 H +ATOM 3779 N PHE B 38 10.753 8.181 16.078 1.00 0.00 N +ATOM 3780 CA PHE B 38 11.027 9.280 17.013 1.00 0.00 C +ATOM 3781 C PHE B 38 10.479 9.138 18.476 1.00 0.00 C +ATOM 3782 O PHE B 38 10.874 9.897 19.408 1.00 0.00 O +ATOM 3783 CB PHE B 38 10.687 10.648 16.312 1.00 0.00 C +ATOM 3784 CG PHE B 38 11.627 11.268 15.305 1.00 0.00 C +ATOM 3785 CD1 PHE B 38 12.987 11.225 15.475 1.00 0.00 C +ATOM 3786 CD2 PHE B 38 11.106 11.928 14.191 1.00 0.00 C +ATOM 3787 CE1 PHE B 38 13.786 11.903 14.538 1.00 0.00 C +ATOM 3788 CE2 PHE B 38 11.887 12.619 13.255 1.00 0.00 C +ATOM 3789 CZ PHE B 38 13.236 12.559 13.447 1.00 0.00 C +ATOM 3790 H PHE B 38 10.328 8.432 15.197 1.00 0.00 H +ATOM 3791 HA PHE B 38 12.114 9.243 17.083 1.00 0.00 H +ATOM 3792 HB2 PHE B 38 9.727 10.431 15.843 1.00 0.00 H +ATOM 3793 HB3 PHE B 38 10.476 11.330 17.136 1.00 0.00 H +ATOM 3794 HD1 PHE B 38 13.414 10.715 16.326 1.00 0.00 H +ATOM 3795 HD2 PHE B 38 10.037 11.856 14.056 1.00 0.00 H +ATOM 3796 HE1 PHE B 38 14.801 12.189 14.774 1.00 0.00 H +ATOM 3797 HE2 PHE B 38 11.640 13.069 12.305 1.00 0.00 H +ATOM 3798 HZ PHE B 38 13.874 13.106 12.768 1.00 0.00 H +ATOM 3799 N THR B 39 9.515 8.229 18.694 1.00 0.00 N +ATOM 3800 CA THR B 39 8.995 7.828 20.011 1.00 0.00 C +ATOM 3801 C THR B 39 9.931 6.681 20.554 1.00 0.00 C +ATOM 3802 O THR B 39 10.293 6.685 21.729 1.00 0.00 O +ATOM 3803 CB THR B 39 7.541 7.351 20.002 1.00 0.00 C +ATOM 3804 CG2 THR B 39 6.869 7.162 21.373 1.00 0.00 C +ATOM 3805 OG1 THR B 39 6.853 8.339 19.220 1.00 0.00 O +ATOM 3806 H THR B 39 9.026 8.054 17.828 1.00 0.00 H +ATOM 3807 HA THR B 39 9.186 8.669 20.678 1.00 0.00 H +ATOM 3808 HB THR B 39 7.498 6.361 19.547 1.00 0.00 H +ATOM 3809 HG1 THR B 39 7.065 8.234 18.290 1.00 0.00 H +ATOM 3810 HG21 THR B 39 5.786 7.249 21.285 1.00 0.00 H +ATOM 3811 HG22 THR B 39 7.058 6.241 21.925 1.00 0.00 H +ATOM 3812 HG23 THR B 39 7.061 8.058 21.964 1.00 0.00 H +ATOM 3813 N PHE B 40 10.354 5.770 19.625 1.00 0.00 N +ATOM 3814 CA PHE B 40 11.143 4.554 20.042 1.00 0.00 C +ATOM 3815 C PHE B 40 12.650 4.921 20.294 1.00 0.00 C +ATOM 3816 O PHE B 40 13.319 4.282 21.120 1.00 0.00 O +ATOM 3817 CB PHE B 40 10.834 3.388 18.995 1.00 0.00 C +ATOM 3818 CG PHE B 40 11.523 2.093 19.345 1.00 0.00 C +ATOM 3819 CD1 PHE B 40 10.846 1.158 20.162 1.00 0.00 C +ATOM 3820 CD2 PHE B 40 12.836 1.787 18.878 1.00 0.00 C +ATOM 3821 CE1 PHE B 40 11.502 -0.019 20.506 1.00 0.00 C +ATOM 3822 CE2 PHE B 40 13.441 0.611 19.265 1.00 0.00 C +ATOM 3823 CZ PHE B 40 12.776 -0.304 20.067 1.00 0.00 C +ATOM 3824 H PHE B 40 9.990 5.814 18.684 1.00 0.00 H +ATOM 3825 HA PHE B 40 10.720 4.050 20.911 1.00 0.00 H +ATOM 3826 HB2 PHE B 40 9.765 3.176 19.037 1.00 0.00 H +ATOM 3827 HB3 PHE B 40 11.089 3.644 17.967 1.00 0.00 H +ATOM 3828 HD1 PHE B 40 9.808 1.315 20.415 1.00 0.00 H +ATOM 3829 HD2 PHE B 40 13.409 2.474 18.272 1.00 0.00 H +ATOM 3830 HE1 PHE B 40 11.020 -0.648 21.239 1.00 0.00 H +ATOM 3831 HE2 PHE B 40 14.474 0.474 18.984 1.00 0.00 H +ATOM 3832 HZ PHE B 40 13.287 -1.123 20.551 1.00 0.00 H +ATOM 3833 N PHE B 41 13.218 5.863 19.446 1.00 0.00 N +ATOM 3834 CA PHE B 41 14.649 6.325 19.580 1.00 0.00 C +ATOM 3835 C PHE B 41 14.780 7.335 20.660 1.00 0.00 C +ATOM 3836 O PHE B 41 15.254 8.438 20.477 1.00 0.00 O +ATOM 3837 CB PHE B 41 15.172 6.818 18.220 1.00 0.00 C +ATOM 3838 CG PHE B 41 15.187 5.834 17.081 1.00 0.00 C +ATOM 3839 CD1 PHE B 41 15.274 4.425 17.351 1.00 0.00 C +ATOM 3840 CD2 PHE B 41 15.130 6.254 15.732 1.00 0.00 C +ATOM 3841 CE1 PHE B 41 15.198 3.520 16.343 1.00 0.00 C +ATOM 3842 CE2 PHE B 41 15.258 5.363 14.749 1.00 0.00 C +ATOM 3843 CZ PHE B 41 15.198 4.011 14.997 1.00 0.00 C +ATOM 3844 H PHE B 41 12.687 6.090 18.617 1.00 0.00 H +ATOM 3845 HA PHE B 41 15.247 5.501 19.969 1.00 0.00 H +ATOM 3846 HB2 PHE B 41 14.413 7.547 17.937 1.00 0.00 H +ATOM 3847 HB3 PHE B 41 16.098 7.392 18.257 1.00 0.00 H +ATOM 3848 HD1 PHE B 41 15.201 4.012 18.346 1.00 0.00 H +ATOM 3849 HD2 PHE B 41 15.087 7.330 15.654 1.00 0.00 H +ATOM 3850 HE1 PHE B 41 15.219 2.466 16.578 1.00 0.00 H +ATOM 3851 HE2 PHE B 41 15.454 5.768 13.768 1.00 0.00 H +ATOM 3852 HZ PHE B 41 15.326 3.266 14.226 1.00 0.00 H +ATOM 3853 N CYS B 42 14.329 6.954 21.891 1.00 0.00 N +ATOM 3854 CA CYS B 42 14.132 7.753 23.066 1.00 0.00 C +ATOM 3855 C CYS B 42 13.369 6.881 24.098 1.00 0.00 C +ATOM 3856 O CYS B 42 12.256 6.376 23.843 1.00 0.00 O +ATOM 3857 CB CYS B 42 13.318 9.067 22.771 1.00 0.00 C +ATOM 3858 SG CYS B 42 13.232 10.078 24.284 1.00 0.00 S +ATOM 3859 H CYS B 42 13.943 6.022 21.958 1.00 0.00 H +ATOM 3860 HA CYS B 42 15.130 7.971 23.447 1.00 0.00 H +ATOM 3861 HB2 CYS B 42 13.731 9.653 21.950 1.00 0.00 H +ATOM 3862 HB3 CYS B 42 12.392 8.743 22.295 1.00 0.00 H +ATOM 3863 N PRO B 43 13.932 6.787 25.294 1.00 0.00 N +ATOM 3864 CA PRO B 43 13.288 6.011 26.466 1.00 0.00 C +ATOM 3865 C PRO B 43 11.911 6.597 27.074 1.00 0.00 C +ATOM 3866 O PRO B 43 10.831 6.020 26.971 1.00 0.00 O +ATOM 3867 CB PRO B 43 14.327 5.999 27.551 1.00 0.00 C +ATOM 3868 CG PRO B 43 15.077 7.317 27.381 1.00 0.00 C +ATOM 3869 CD PRO B 43 15.090 7.501 25.854 1.00 0.00 C +ATOM 3870 HA PRO B 43 13.165 4.988 26.109 1.00 0.00 H +ATOM 3871 HB2 PRO B 43 13.858 5.852 28.524 1.00 0.00 H +ATOM 3872 HB3 PRO B 43 15.041 5.217 27.295 1.00 0.00 H +ATOM 3873 HG2 PRO B 43 14.557 8.078 27.963 1.00 0.00 H +ATOM 3874 HG3 PRO B 43 16.090 7.185 27.760 1.00 0.00 H +ATOM 3875 HD2 PRO B 43 15.198 8.524 25.495 1.00 0.00 H +ATOM 3876 HD3 PRO B 43 15.872 6.932 25.351 1.00 0.00 H +ATOM 3877 N ASP B 44 11.928 7.833 27.670 1.00 0.00 N +ATOM 3878 CA ASP B 44 10.699 8.403 28.321 1.00 0.00 C +ATOM 3879 C ASP B 44 10.091 9.633 27.627 1.00 0.00 C +ATOM 3880 O ASP B 44 9.427 10.491 28.283 1.00 0.00 O +ATOM 3881 CB ASP B 44 10.892 8.674 29.879 1.00 0.00 C +ATOM 3882 CG ASP B 44 11.852 7.712 30.578 1.00 0.00 C +ATOM 3883 OD1 ASP B 44 12.934 8.146 31.072 1.00 0.00 O +ATOM 3884 OD2 ASP B 44 11.366 6.623 30.905 1.00 0.00 O +ATOM 3885 H ASP B 44 12.827 8.275 27.792 1.00 0.00 H +ATOM 3886 HA ASP B 44 9.857 7.711 28.339 1.00 0.00 H +ATOM 3887 HB2 ASP B 44 11.353 9.653 30.016 1.00 0.00 H +ATOM 3888 HB3 ASP B 44 9.886 8.734 30.295 1.00 0.00 H +ATOM 3889 N CYS B 45 10.315 9.746 26.295 1.00 0.00 N +ATOM 3890 CA CYS B 45 9.719 10.808 25.449 1.00 0.00 C +ATOM 3891 C CYS B 45 8.190 10.705 25.406 1.00 0.00 C +ATOM 3892 O CYS B 45 7.711 9.594 25.513 1.00 0.00 O +ATOM 3893 CB CYS B 45 10.282 10.670 24.014 1.00 0.00 C +ATOM 3894 SG CYS B 45 11.889 11.515 23.817 1.00 0.00 S +ATOM 3895 H CYS B 45 11.109 9.264 25.898 1.00 0.00 H +ATOM 3896 HA CYS B 45 9.885 11.792 25.888 1.00 0.00 H +ATOM 3897 HB2 CYS B 45 10.255 9.627 23.700 1.00 0.00 H +ATOM 3898 HB3 CYS B 45 9.590 11.125 23.305 1.00 0.00 H +ATOM 3899 N SER B 46 7.521 11.843 25.203 1.00 0.00 N +ATOM 3900 CA SER B 46 6.050 11.886 25.241 1.00 0.00 C +ATOM 3901 C SER B 46 5.537 11.666 23.841 1.00 0.00 C +ATOM 3902 O SER B 46 6.053 12.148 22.880 1.00 0.00 O +ATOM 3903 CB SER B 46 5.728 13.328 25.792 1.00 0.00 C +ATOM 3904 OG SER B 46 6.042 13.431 27.157 1.00 0.00 O +ATOM 3905 H SER B 46 8.093 12.665 25.067 1.00 0.00 H +ATOM 3906 HA SER B 46 5.696 11.234 26.039 1.00 0.00 H +ATOM 3907 HB2 SER B 46 6.214 14.121 25.223 1.00 0.00 H +ATOM 3908 HB3 SER B 46 4.646 13.455 25.753 1.00 0.00 H +ATOM 3909 HG SER B 46 5.534 14.106 27.614 1.00 0.00 H +ATOM 3910 N HIS B 47 4.545 10.780 23.760 1.00 0.00 N +ATOM 3911 CA HIS B 47 3.876 10.315 22.519 1.00 0.00 C +ATOM 3912 C HIS B 47 3.305 11.428 21.606 1.00 0.00 C +ATOM 3913 O HIS B 47 2.927 12.416 22.224 1.00 0.00 O +ATOM 3914 CB HIS B 47 2.825 9.288 22.975 1.00 0.00 C +ATOM 3915 CG HIS B 47 2.151 8.396 21.931 1.00 0.00 C +ATOM 3916 CD2 HIS B 47 2.435 7.058 21.651 1.00 0.00 C +ATOM 3917 ND1 HIS B 47 1.200 8.785 20.954 1.00 0.00 N +ATOM 3918 CE1 HIS B 47 0.973 7.734 20.155 1.00 0.00 C +ATOM 3919 NE2 HIS B 47 1.720 6.699 20.510 1.00 0.00 N +ATOM 3920 H HIS B 47 4.026 10.540 24.593 1.00 0.00 H +ATOM 3921 HA HIS B 47 4.645 9.771 21.972 1.00 0.00 H +ATOM 3922 HB2 HIS B 47 3.248 8.671 23.768 1.00 0.00 H +ATOM 3923 HB3 HIS B 47 2.038 9.895 23.423 1.00 0.00 H +ATOM 3924 HD1 HIS B 47 0.803 9.714 20.957 1.00 0.00 H +ATOM 3925 HD2 HIS B 47 3.128 6.358 22.094 1.00 0.00 H +ATOM 3926 HE1 HIS B 47 0.228 7.739 19.374 1.00 0.00 H +ATOM 3927 HE2 HIS B 47 1.820 5.782 20.099 1.00 0.00 H +ATOM 3928 N ALA B 48 3.206 11.208 20.312 1.00 0.00 N +ATOM 3929 CA ALA B 48 2.753 12.252 19.400 1.00 0.00 C +ATOM 3930 C ALA B 48 1.202 12.326 19.375 1.00 0.00 C +ATOM 3931 O ALA B 48 0.538 11.233 19.449 1.00 0.00 O +ATOM 3932 CB ALA B 48 3.299 11.828 18.023 1.00 0.00 C +ATOM 3933 H ALA B 48 3.456 10.360 19.822 1.00 0.00 H +ATOM 3934 HA ALA B 48 3.071 13.256 19.680 1.00 0.00 H +ATOM 3935 HB1 ALA B 48 3.147 12.528 17.202 1.00 0.00 H +ATOM 3936 HB2 ALA B 48 4.349 11.545 18.108 1.00 0.00 H +ATOM 3937 HB3 ALA B 48 2.787 10.895 17.788 1.00 0.00 H +ATOM 3938 N PRO B 49 0.653 13.559 19.486 1.00 0.00 N +ATOM 3939 CA PRO B 49 -0.796 13.693 19.875 1.00 0.00 C +ATOM 3940 C PRO B 49 -1.809 13.086 18.866 1.00 0.00 C +ATOM 3941 O PRO B 49 -1.570 12.904 17.692 1.00 0.00 O +ATOM 3942 CB PRO B 49 -0.955 15.224 19.996 1.00 0.00 C +ATOM 3943 CG PRO B 49 0.225 15.830 19.139 1.00 0.00 C +ATOM 3944 CD PRO B 49 1.351 14.831 19.405 1.00 0.00 C +ATOM 3945 HA PRO B 49 -0.940 13.150 20.809 1.00 0.00 H +ATOM 3946 HB2 PRO B 49 -1.934 15.632 19.746 1.00 0.00 H +ATOM 3947 HB3 PRO B 49 -0.711 15.507 21.020 1.00 0.00 H +ATOM 3948 HG2 PRO B 49 0.065 15.799 18.062 1.00 0.00 H +ATOM 3949 HG3 PRO B 49 0.364 16.872 19.425 1.00 0.00 H +ATOM 3950 HD2 PRO B 49 2.032 14.893 18.557 1.00 0.00 H +ATOM 3951 HD3 PRO B 49 1.947 15.114 20.272 1.00 0.00 H +ATOM 3952 N LEU B 50 -3.040 12.842 19.321 1.00 0.00 N +ATOM 3953 CA LEU B 50 -4.194 12.213 18.703 1.00 0.00 C +ATOM 3954 C LEU B 50 -4.498 12.864 17.324 1.00 0.00 C +ATOM 3955 O LEU B 50 -4.567 12.177 16.320 1.00 0.00 O +ATOM 3956 CB LEU B 50 -5.446 12.227 19.649 1.00 0.00 C +ATOM 3957 CG LEU B 50 -6.609 11.341 19.184 1.00 0.00 C +ATOM 3958 CD1 LEU B 50 -6.377 9.849 19.704 1.00 0.00 C +ATOM 3959 CD2 LEU B 50 -8.006 11.862 19.549 1.00 0.00 C +ATOM 3960 H LEU B 50 -3.254 12.972 20.300 1.00 0.00 H +ATOM 3961 HA LEU B 50 -3.909 11.177 18.522 1.00 0.00 H +ATOM 3962 HB2 LEU B 50 -5.088 11.986 20.650 1.00 0.00 H +ATOM 3963 HB3 LEU B 50 -5.765 13.269 19.691 1.00 0.00 H +ATOM 3964 HG LEU B 50 -6.557 11.243 18.100 1.00 0.00 H +ATOM 3965 HD11 LEU B 50 -6.717 9.096 18.992 1.00 0.00 H +ATOM 3966 HD12 LEU B 50 -5.333 9.752 20.002 1.00 0.00 H +ATOM 3967 HD13 LEU B 50 -6.972 9.786 20.615 1.00 0.00 H +ATOM 3968 HD21 LEU B 50 -7.887 12.483 20.437 1.00 0.00 H +ATOM 3969 HD22 LEU B 50 -8.507 12.478 18.802 1.00 0.00 H +ATOM 3970 HD23 LEU B 50 -8.770 11.176 19.913 1.00 0.00 H +ATOM 3971 N TRP B 51 -4.655 14.224 17.303 1.00 0.00 N +ATOM 3972 CA TRP B 51 -4.827 14.940 16.056 1.00 0.00 C +ATOM 3973 C TRP B 51 -3.839 14.616 14.919 1.00 0.00 C +ATOM 3974 O TRP B 51 -4.365 14.307 13.859 1.00 0.00 O +ATOM 3975 CB TRP B 51 -4.997 16.439 16.216 1.00 0.00 C +ATOM 3976 CG TRP B 51 -3.747 17.259 16.678 1.00 0.00 C +ATOM 3977 CD1 TRP B 51 -3.450 17.624 17.969 1.00 0.00 C +ATOM 3978 CD2 TRP B 51 -2.675 17.765 15.836 1.00 0.00 C +ATOM 3979 CE2 TRP B 51 -1.616 18.143 16.742 1.00 0.00 C +ATOM 3980 CE3 TRP B 51 -2.369 17.774 14.452 1.00 0.00 C +ATOM 3981 NE1 TRP B 51 -2.178 18.202 18.003 1.00 0.00 N +ATOM 3982 CZ2 TRP B 51 -0.423 18.703 16.283 1.00 0.00 C +ATOM 3983 CZ3 TRP B 51 -1.175 18.383 13.989 1.00 0.00 C +ATOM 3984 CH2 TRP B 51 -0.194 18.902 14.869 1.00 0.00 C +ATOM 3985 H TRP B 51 -4.411 14.697 18.161 1.00 0.00 H +ATOM 3986 HA TRP B 51 -5.770 14.513 15.712 1.00 0.00 H +ATOM 3987 HB2 TRP B 51 -5.367 16.961 15.333 1.00 0.00 H +ATOM 3988 HB3 TRP B 51 -5.723 16.706 16.983 1.00 0.00 H +ATOM 3989 HD1 TRP B 51 -4.218 17.504 18.719 1.00 0.00 H +ATOM 3990 HE1 TRP B 51 -1.842 18.622 18.857 1.00 0.00 H +ATOM 3991 HE3 TRP B 51 -3.054 17.310 13.759 1.00 0.00 H +ATOM 3992 HZ2 TRP B 51 0.212 19.210 16.994 1.00 0.00 H +ATOM 3993 HZ3 TRP B 51 -1.011 18.542 12.934 1.00 0.00 H +ATOM 3994 HH2 TRP B 51 0.657 19.483 14.547 1.00 0.00 H +ATOM 3995 N LEU B 52 -2.524 14.545 15.273 1.00 0.00 N +ATOM 3996 CA LEU B 52 -1.439 14.156 14.341 1.00 0.00 C +ATOM 3997 C LEU B 52 -1.505 12.576 14.003 1.00 0.00 C +ATOM 3998 O LEU B 52 -1.207 12.228 12.837 1.00 0.00 O +ATOM 3999 CB LEU B 52 -0.101 14.646 14.945 1.00 0.00 C +ATOM 4000 CG LEU B 52 1.135 14.402 14.084 1.00 0.00 C +ATOM 4001 CD1 LEU B 52 1.212 15.351 12.882 1.00 0.00 C +ATOM 4002 CD2 LEU B 52 2.396 14.551 14.994 1.00 0.00 C +ATOM 4003 H LEU B 52 -2.302 14.719 16.243 1.00 0.00 H +ATOM 4004 HA LEU B 52 -1.609 14.554 13.341 1.00 0.00 H +ATOM 4005 HB2 LEU B 52 -0.181 15.708 15.177 1.00 0.00 H +ATOM 4006 HB3 LEU B 52 0.100 14.100 15.866 1.00 0.00 H +ATOM 4007 HG LEU B 52 1.090 13.409 13.637 1.00 0.00 H +ATOM 4008 HD11 LEU B 52 0.477 16.153 12.956 1.00 0.00 H +ATOM 4009 HD12 LEU B 52 2.208 15.782 12.789 1.00 0.00 H +ATOM 4010 HD13 LEU B 52 0.998 14.802 11.965 1.00 0.00 H +ATOM 4011 HD21 LEU B 52 2.454 13.534 15.381 1.00 0.00 H +ATOM 4012 HD22 LEU B 52 3.207 14.793 14.307 1.00 0.00 H +ATOM 4013 HD23 LEU B 52 2.203 15.409 15.638 1.00 0.00 H +ATOM 4014 N MET B 53 -1.818 11.768 14.980 1.00 0.00 N +ATOM 4015 CA MET B 53 -2.078 10.302 14.750 1.00 0.00 C +ATOM 4016 C MET B 53 -3.156 10.106 13.735 1.00 0.00 C +ATOM 4017 O MET B 53 -3.016 9.272 12.810 1.00 0.00 O +ATOM 4018 CB MET B 53 -2.340 9.500 16.057 1.00 0.00 C +ATOM 4019 CG MET B 53 -1.121 9.454 16.984 1.00 0.00 C +ATOM 4020 SD MET B 53 0.253 8.543 16.292 1.00 0.00 S +ATOM 4021 CE MET B 53 -0.251 6.852 16.423 1.00 0.00 C +ATOM 4022 H MET B 53 -2.114 12.154 15.865 1.00 0.00 H +ATOM 4023 HA MET B 53 -1.146 9.925 14.327 1.00 0.00 H +ATOM 4024 HB2 MET B 53 -3.156 9.862 16.683 1.00 0.00 H +ATOM 4025 HB3 MET B 53 -2.681 8.491 15.821 1.00 0.00 H +ATOM 4026 HG2 MET B 53 -0.706 10.442 17.186 1.00 0.00 H +ATOM 4027 HG3 MET B 53 -1.344 8.984 17.942 1.00 0.00 H +ATOM 4028 HE1 MET B 53 -0.257 6.479 17.447 1.00 0.00 H +ATOM 4029 HE2 MET B 53 -1.203 6.601 15.955 1.00 0.00 H +ATOM 4030 HE3 MET B 53 0.545 6.317 15.905 1.00 0.00 H +ATOM 4031 N TYR B 54 -4.234 10.886 13.878 1.00 0.00 N +ATOM 4032 CA TYR B 54 -5.446 10.772 13.044 1.00 0.00 C +ATOM 4033 C TYR B 54 -5.226 11.273 11.612 1.00 0.00 C +ATOM 4034 O TYR B 54 -5.552 10.528 10.696 1.00 0.00 O +ATOM 4035 CB TYR B 54 -6.593 11.526 13.687 1.00 0.00 C +ATOM 4036 CG TYR B 54 -7.362 10.884 14.828 1.00 0.00 C +ATOM 4037 CD1 TYR B 54 -6.996 9.602 15.294 1.00 0.00 C +ATOM 4038 CD2 TYR B 54 -8.323 11.614 15.447 1.00 0.00 C +ATOM 4039 CE1 TYR B 54 -7.748 9.059 16.310 1.00 0.00 C +ATOM 4040 CE2 TYR B 54 -9.182 10.999 16.383 1.00 0.00 C +ATOM 4041 CZ TYR B 54 -8.889 9.724 16.788 1.00 0.00 C +ATOM 4042 OH TYR B 54 -9.558 9.095 17.770 1.00 0.00 O +ATOM 4043 H TYR B 54 -4.266 11.506 14.676 1.00 0.00 H +ATOM 4044 HA TYR B 54 -5.753 9.731 12.947 1.00 0.00 H +ATOM 4045 HB2 TYR B 54 -6.218 12.482 14.053 1.00 0.00 H +ATOM 4046 HB3 TYR B 54 -7.352 11.717 12.928 1.00 0.00 H +ATOM 4047 HD1 TYR B 54 -6.112 9.070 14.973 1.00 0.00 H +ATOM 4048 HD2 TYR B 54 -8.416 12.681 15.304 1.00 0.00 H +ATOM 4049 HE1 TYR B 54 -7.396 8.118 16.707 1.00 0.00 H +ATOM 4050 HE2 TYR B 54 -9.769 11.578 17.081 1.00 0.00 H +ATOM 4051 HH TYR B 54 -8.930 8.559 18.260 1.00 0.00 H +ATOM 4052 N LEU B 55 -4.466 12.376 11.462 1.00 0.00 N +ATOM 4053 CA LEU B 55 -3.876 12.879 10.218 1.00 0.00 C +ATOM 4054 C LEU B 55 -3.109 11.837 9.467 1.00 0.00 C +ATOM 4055 O LEU B 55 -3.370 11.558 8.318 1.00 0.00 O +ATOM 4056 CB LEU B 55 -3.201 14.258 10.463 1.00 0.00 C +ATOM 4057 CG LEU B 55 -2.306 14.827 9.347 1.00 0.00 C +ATOM 4058 CD1 LEU B 55 -3.019 15.025 7.954 1.00 0.00 C +ATOM 4059 CD2 LEU B 55 -1.607 16.075 9.847 1.00 0.00 C +ATOM 4060 H LEU B 55 -4.321 12.979 12.259 1.00 0.00 H +ATOM 4061 HA LEU B 55 -4.705 13.100 9.546 1.00 0.00 H +ATOM 4062 HB2 LEU B 55 -4.005 14.938 10.743 1.00 0.00 H +ATOM 4063 HB3 LEU B 55 -2.646 14.134 11.393 1.00 0.00 H +ATOM 4064 HG LEU B 55 -1.482 14.117 9.270 1.00 0.00 H +ATOM 4065 HD11 LEU B 55 -2.489 14.420 7.218 1.00 0.00 H +ATOM 4066 HD12 LEU B 55 -4.070 14.747 7.871 1.00 0.00 H +ATOM 4067 HD13 LEU B 55 -2.933 16.057 7.616 1.00 0.00 H +ATOM 4068 HD21 LEU B 55 -1.085 16.013 10.802 1.00 0.00 H +ATOM 4069 HD22 LEU B 55 -0.968 16.534 9.093 1.00 0.00 H +ATOM 4070 HD23 LEU B 55 -2.200 16.967 10.050 1.00 0.00 H +ATOM 4071 N ALA B 56 -2.211 11.157 10.174 1.00 0.00 N +ATOM 4072 CA ALA B 56 -1.269 10.219 9.620 1.00 0.00 C +ATOM 4073 C ALA B 56 -1.926 8.833 9.266 1.00 0.00 C +ATOM 4074 O ALA B 56 -1.665 8.320 8.209 1.00 0.00 O +ATOM 4075 CB ALA B 56 -0.106 10.104 10.511 1.00 0.00 C +ATOM 4076 H ALA B 56 -1.912 11.310 11.127 1.00 0.00 H +ATOM 4077 HA ALA B 56 -1.072 10.730 8.678 1.00 0.00 H +ATOM 4078 HB1 ALA B 56 -0.253 9.513 11.415 1.00 0.00 H +ATOM 4079 HB2 ALA B 56 0.756 9.671 10.003 1.00 0.00 H +ATOM 4080 HB3 ALA B 56 0.256 11.055 10.903 1.00 0.00 H +ATOM 4081 N ILE B 57 -2.878 8.321 10.139 1.00 0.00 N +ATOM 4082 CA ILE B 57 -3.819 7.251 9.799 1.00 0.00 C +ATOM 4083 C ILE B 57 -4.640 7.603 8.503 1.00 0.00 C +ATOM 4084 O ILE B 57 -4.697 6.812 7.524 1.00 0.00 O +ATOM 4085 CB ILE B 57 -4.762 6.902 11.015 1.00 0.00 C +ATOM 4086 CG1 ILE B 57 -4.076 6.253 12.177 1.00 0.00 C +ATOM 4087 CG2 ILE B 57 -5.957 5.980 10.596 1.00 0.00 C +ATOM 4088 CD1 ILE B 57 -4.765 6.221 13.506 1.00 0.00 C +ATOM 4089 H ILE B 57 -2.937 8.709 11.070 1.00 0.00 H +ATOM 4090 HA ILE B 57 -3.325 6.312 9.549 1.00 0.00 H +ATOM 4091 HB ILE B 57 -5.175 7.875 11.282 1.00 0.00 H +ATOM 4092 HG12 ILE B 57 -3.718 5.337 11.707 1.00 0.00 H +ATOM 4093 HG13 ILE B 57 -3.152 6.820 12.291 1.00 0.00 H +ATOM 4094 HG21 ILE B 57 -6.574 5.647 11.430 1.00 0.00 H +ATOM 4095 HG22 ILE B 57 -6.544 6.527 9.857 1.00 0.00 H +ATOM 4096 HG23 ILE B 57 -5.611 5.035 10.179 1.00 0.00 H +ATOM 4097 HD11 ILE B 57 -5.310 5.280 13.569 1.00 0.00 H +ATOM 4098 HD12 ILE B 57 -4.070 6.233 14.345 1.00 0.00 H +ATOM 4099 HD13 ILE B 57 -5.470 7.040 13.646 1.00 0.00 H +ATOM 4100 N VAL B 58 -5.354 8.753 8.543 1.00 0.00 N +ATOM 4101 CA VAL B 58 -6.102 9.302 7.388 1.00 0.00 C +ATOM 4102 C VAL B 58 -5.383 9.418 6.078 1.00 0.00 C +ATOM 4103 O VAL B 58 -5.833 8.753 5.147 1.00 0.00 O +ATOM 4104 CB VAL B 58 -6.946 10.555 7.808 1.00 0.00 C +ATOM 4105 CG1 VAL B 58 -7.427 11.549 6.683 1.00 0.00 C +ATOM 4106 CG2 VAL B 58 -8.186 10.147 8.539 1.00 0.00 C +ATOM 4107 H VAL B 58 -5.310 9.301 9.390 1.00 0.00 H +ATOM 4108 HA VAL B 58 -6.770 8.454 7.242 1.00 0.00 H +ATOM 4109 HB VAL B 58 -6.351 11.215 8.439 1.00 0.00 H +ATOM 4110 HG11 VAL B 58 -8.052 12.388 6.987 1.00 0.00 H +ATOM 4111 HG12 VAL B 58 -6.715 12.016 6.002 1.00 0.00 H +ATOM 4112 HG13 VAL B 58 -8.104 10.898 6.130 1.00 0.00 H +ATOM 4113 HG21 VAL B 58 -7.739 9.492 9.287 1.00 0.00 H +ATOM 4114 HG22 VAL B 58 -8.797 10.978 8.890 1.00 0.00 H +ATOM 4115 HG23 VAL B 58 -8.809 9.483 7.939 1.00 0.00 H +ATOM 4116 N LEU B 59 -4.272 10.137 6.038 1.00 0.00 N +ATOM 4117 CA LEU B 59 -3.195 10.244 5.017 1.00 0.00 C +ATOM 4118 C LEU B 59 -2.846 8.848 4.432 1.00 0.00 C +ATOM 4119 O LEU B 59 -3.191 8.625 3.229 1.00 0.00 O +ATOM 4120 CB LEU B 59 -1.983 11.051 5.448 1.00 0.00 C +ATOM 4121 CG LEU B 59 -0.847 11.377 4.457 1.00 0.00 C +ATOM 4122 CD1 LEU B 59 -1.313 12.206 3.163 1.00 0.00 C +ATOM 4123 CD2 LEU B 59 0.294 12.104 5.167 1.00 0.00 C +ATOM 4124 H LEU B 59 -4.088 10.616 6.908 1.00 0.00 H +ATOM 4125 HA LEU B 59 -3.738 10.851 4.294 1.00 0.00 H +ATOM 4126 HB2 LEU B 59 -2.269 12.046 5.788 1.00 0.00 H +ATOM 4127 HB3 LEU B 59 -1.528 10.463 6.245 1.00 0.00 H +ATOM 4128 HG LEU B 59 -0.499 10.433 4.036 1.00 0.00 H +ATOM 4129 HD11 LEU B 59 -1.215 13.282 3.305 1.00 0.00 H +ATOM 4130 HD12 LEU B 59 -0.726 11.985 2.271 1.00 0.00 H +ATOM 4131 HD13 LEU B 59 -2.339 11.936 2.911 1.00 0.00 H +ATOM 4132 HD21 LEU B 59 1.274 11.761 4.836 1.00 0.00 H +ATOM 4133 HD22 LEU B 59 0.293 13.160 4.898 1.00 0.00 H +ATOM 4134 HD23 LEU B 59 0.280 12.138 6.257 1.00 0.00 H +ATOM 4135 N ALA B 60 -2.314 7.960 5.263 1.00 0.00 N +ATOM 4136 CA ALA B 60 -2.020 6.554 4.948 1.00 0.00 C +ATOM 4137 C ALA B 60 -3.236 5.750 4.410 1.00 0.00 C +ATOM 4138 O ALA B 60 -3.038 4.856 3.623 1.00 0.00 O +ATOM 4139 CB ALA B 60 -1.381 5.894 6.159 1.00 0.00 C +ATOM 4140 H ALA B 60 -2.310 8.325 6.205 1.00 0.00 H +ATOM 4141 HA ALA B 60 -1.263 6.579 4.164 1.00 0.00 H +ATOM 4142 HB1 ALA B 60 -1.332 4.822 5.967 1.00 0.00 H +ATOM 4143 HB2 ALA B 60 -0.416 6.361 6.357 1.00 0.00 H +ATOM 4144 HB3 ALA B 60 -2.077 6.045 6.983 1.00 0.00 H +ATOM 4145 N HIS B 61 -4.510 5.984 4.882 1.00 0.00 N +ATOM 4146 CA HIS B 61 -5.725 5.510 4.260 1.00 0.00 C +ATOM 4147 C HIS B 61 -6.142 6.141 2.921 1.00 0.00 C +ATOM 4148 O HIS B 61 -6.466 5.475 1.965 1.00 0.00 O +ATOM 4149 CB HIS B 61 -6.887 5.453 5.247 1.00 0.00 C +ATOM 4150 CG HIS B 61 -6.651 4.676 6.522 1.00 0.00 C +ATOM 4151 CD2 HIS B 61 -5.698 3.742 6.850 1.00 0.00 C +ATOM 4152 ND1 HIS B 61 -7.423 4.816 7.603 1.00 0.00 N +ATOM 4153 CE1 HIS B 61 -6.968 4.002 8.569 1.00 0.00 C +ATOM 4154 NE2 HIS B 61 -5.902 3.318 8.158 1.00 0.00 N +ATOM 4155 H HIS B 61 -4.761 6.473 5.730 1.00 0.00 H +ATOM 4156 HA HIS B 61 -5.542 4.460 4.035 1.00 0.00 H +ATOM 4157 HB2 HIS B 61 -7.150 6.463 5.559 1.00 0.00 H +ATOM 4158 HB3 HIS B 61 -7.748 4.985 4.769 1.00 0.00 H +ATOM 4159 HD1 HIS B 61 -8.201 5.460 7.588 1.00 0.00 H +ATOM 4160 HD2 HIS B 61 -4.950 3.456 6.125 1.00 0.00 H +ATOM 4161 HE1 HIS B 61 -7.465 3.971 9.528 1.00 0.00 H +ATOM 4162 HE2 HIS B 61 -5.286 2.630 8.567 1.00 0.00 H +ATOM 4163 N THR B 62 -5.924 7.411 2.755 1.00 0.00 N +ATOM 4164 CA THR B 62 -6.203 8.172 1.508 1.00 0.00 C +ATOM 4165 C THR B 62 -5.286 7.824 0.335 1.00 0.00 C +ATOM 4166 O THR B 62 -5.690 7.957 -0.806 1.00 0.00 O +ATOM 4167 CB THR B 62 -6.177 9.707 1.686 1.00 0.00 C +ATOM 4168 CG2 THR B 62 -6.740 10.509 0.527 1.00 0.00 C +ATOM 4169 OG1 THR B 62 -6.954 10.092 2.810 1.00 0.00 O +ATOM 4170 H THR B 62 -5.663 7.962 3.560 1.00 0.00 H +ATOM 4171 HA THR B 62 -7.228 8.037 1.161 1.00 0.00 H +ATOM 4172 HB THR B 62 -5.161 10.047 1.889 1.00 0.00 H +ATOM 4173 HG1 THR B 62 -6.434 9.748 3.540 1.00 0.00 H +ATOM 4174 HG21 THR B 62 -7.640 10.067 0.099 1.00 0.00 H +ATOM 4175 HG22 THR B 62 -6.989 11.567 0.608 1.00 0.00 H +ATOM 4176 HG23 THR B 62 -6.104 10.387 -0.350 1.00 0.00 H +ATOM 4177 N ASN B 63 -4.123 7.186 0.575 1.00 0.00 N +ATOM 4178 CA ASN B 63 -3.226 6.504 -0.319 1.00 0.00 C +ATOM 4179 C ASN B 63 -4.030 5.466 -1.220 1.00 0.00 C +ATOM 4180 O ASN B 63 -3.723 5.298 -2.406 1.00 0.00 O +ATOM 4181 CB ASN B 63 -2.239 5.757 0.573 1.00 0.00 C +ATOM 4182 CG ASN B 63 -1.105 5.011 -0.135 1.00 0.00 C +ATOM 4183 ND2 ASN B 63 -0.155 4.455 0.608 1.00 0.00 N +ATOM 4184 OD1 ASN B 63 -1.094 5.006 -1.335 1.00 0.00 O +ATOM 4185 H ASN B 63 -3.973 7.063 1.567 1.00 0.00 H +ATOM 4186 HA ASN B 63 -2.718 7.256 -0.923 1.00 0.00 H +ATOM 4187 HB2 ASN B 63 -1.748 6.477 1.227 1.00 0.00 H +ATOM 4188 HB3 ASN B 63 -2.889 5.047 1.085 1.00 0.00 H +ATOM 4189 HD21 ASN B 63 -0.071 4.378 1.612 1.00 0.00 H +ATOM 4190 HD22 ASN B 63 0.615 4.057 0.089 1.00 0.00 H +ATOM 4191 N SER B 64 -4.957 4.710 -0.633 1.00 0.00 N +ATOM 4192 CA SER B 64 -5.837 3.749 -1.310 1.00 0.00 C +ATOM 4193 C SER B 64 -6.841 4.313 -2.253 1.00 0.00 C +ATOM 4194 O SER B 64 -7.599 3.559 -2.939 1.00 0.00 O +ATOM 4195 CB SER B 64 -6.505 2.979 -0.188 1.00 0.00 C +ATOM 4196 OG SER B 64 -5.457 2.251 0.434 1.00 0.00 O +ATOM 4197 H SER B 64 -5.084 4.571 0.359 1.00 0.00 H +ATOM 4198 HA SER B 64 -5.300 3.042 -1.942 1.00 0.00 H +ATOM 4199 HB2 SER B 64 -6.842 3.660 0.593 1.00 0.00 H +ATOM 4200 HB3 SER B 64 -7.299 2.328 -0.556 1.00 0.00 H +ATOM 4201 HG SER B 64 -5.297 1.507 -0.151 1.00 0.00 H +ATOM 4202 N VAL B 65 -6.974 5.659 -2.277 1.00 0.00 N +ATOM 4203 CA VAL B 65 -7.984 6.298 -3.119 1.00 0.00 C +ATOM 4204 C VAL B 65 -7.353 6.893 -4.398 1.00 0.00 C +ATOM 4205 O VAL B 65 -8.100 7.106 -5.309 1.00 0.00 O +ATOM 4206 CB VAL B 65 -8.697 7.459 -2.453 1.00 0.00 C +ATOM 4207 CG1 VAL B 65 -9.841 8.048 -3.337 1.00 0.00 C +ATOM 4208 CG2 VAL B 65 -9.258 7.151 -1.099 1.00 0.00 C +ATOM 4209 H VAL B 65 -6.349 6.185 -1.683 1.00 0.00 H +ATOM 4210 HA VAL B 65 -8.806 5.664 -3.450 1.00 0.00 H +ATOM 4211 HB VAL B 65 -7.910 8.206 -2.346 1.00 0.00 H +ATOM 4212 HG11 VAL B 65 -10.352 8.819 -2.760 1.00 0.00 H +ATOM 4213 HG12 VAL B 65 -9.422 8.641 -4.150 1.00 0.00 H +ATOM 4214 HG13 VAL B 65 -10.572 7.389 -3.806 1.00 0.00 H +ATOM 4215 HG21 VAL B 65 -8.422 6.929 -0.436 1.00 0.00 H +ATOM 4216 HG22 VAL B 65 -9.793 7.985 -0.644 1.00 0.00 H +ATOM 4217 HG23 VAL B 65 -9.949 6.308 -1.067 1.00 0.00 H +ATOM 4218 N VAL B 66 -6.060 7.274 -4.462 1.00 0.00 N +ATOM 4219 CA VAL B 66 -5.518 8.208 -5.412 1.00 0.00 C +ATOM 4220 C VAL B 66 -5.378 7.665 -6.878 1.00 0.00 C +ATOM 4221 O VAL B 66 -5.490 8.510 -7.772 1.00 0.00 O +ATOM 4222 CB VAL B 66 -4.287 8.932 -4.971 1.00 0.00 C +ATOM 4223 CG1 VAL B 66 -4.608 9.961 -3.860 1.00 0.00 C +ATOM 4224 CG2 VAL B 66 -3.115 8.119 -4.491 1.00 0.00 C +ATOM 4225 H VAL B 66 -5.485 7.186 -3.636 1.00 0.00 H +ATOM 4226 HA VAL B 66 -6.285 8.959 -5.607 1.00 0.00 H +ATOM 4227 HB VAL B 66 -3.952 9.525 -5.822 1.00 0.00 H +ATOM 4228 HG11 VAL B 66 -5.300 10.698 -4.266 1.00 0.00 H +ATOM 4229 HG12 VAL B 66 -5.071 9.459 -3.010 1.00 0.00 H +ATOM 4230 HG13 VAL B 66 -3.683 10.476 -3.599 1.00 0.00 H +ATOM 4231 HG21 VAL B 66 -2.835 7.383 -5.244 1.00 0.00 H +ATOM 4232 HG22 VAL B 66 -2.258 8.775 -4.336 1.00 0.00 H +ATOM 4233 HG23 VAL B 66 -3.364 7.577 -3.578 1.00 0.00 H +ATOM 4234 N ASN B 67 -5.208 6.344 -6.974 1.00 0.00 N +ATOM 4235 CA ASN B 67 -4.619 5.757 -8.211 1.00 0.00 C +ATOM 4236 C ASN B 67 -5.626 5.755 -9.425 1.00 0.00 C +ATOM 4237 O ASN B 67 -5.083 6.051 -10.500 1.00 0.00 O +ATOM 4238 CB ASN B 67 -4.108 4.376 -7.950 1.00 0.00 C +ATOM 4239 CG ASN B 67 -2.834 4.368 -7.155 1.00 0.00 C +ATOM 4240 ND2 ASN B 67 -2.455 3.199 -6.681 1.00 0.00 N +ATOM 4241 OD1 ASN B 67 -2.217 5.384 -6.907 1.00 0.00 O +ATOM 4242 H ASN B 67 -5.039 5.802 -6.138 1.00 0.00 H +ATOM 4243 HA ASN B 67 -3.833 6.475 -8.446 1.00 0.00 H +ATOM 4244 HB2 ASN B 67 -4.869 3.745 -7.492 1.00 0.00 H +ATOM 4245 HB3 ASN B 67 -3.867 3.931 -8.916 1.00 0.00 H +ATOM 4246 HD21 ASN B 67 -2.969 2.345 -6.845 1.00 0.00 H +ATOM 4247 HD22 ASN B 67 -1.612 3.260 -6.128 1.00 0.00 H +ATOM 4248 N PRO B 68 -6.978 5.735 -9.264 1.00 0.00 N +ATOM 4249 CA PRO B 68 -7.795 5.855 -10.456 1.00 0.00 C +ATOM 4250 C PRO B 68 -7.559 7.181 -11.174 1.00 0.00 C +ATOM 4251 O PRO B 68 -7.628 7.260 -12.387 1.00 0.00 O +ATOM 4252 CB PRO B 68 -9.133 5.563 -9.870 1.00 0.00 C +ATOM 4253 CG PRO B 68 -8.928 4.588 -8.720 1.00 0.00 C +ATOM 4254 CD PRO B 68 -7.607 5.120 -8.162 1.00 0.00 C +ATOM 4255 HA PRO B 68 -7.574 5.082 -11.193 1.00 0.00 H +ATOM 4256 HB2 PRO B 68 -9.529 6.453 -9.382 1.00 0.00 H +ATOM 4257 HB3 PRO B 68 -9.915 5.211 -10.543 1.00 0.00 H +ATOM 4258 HG2 PRO B 68 -9.652 4.672 -7.909 1.00 0.00 H +ATOM 4259 HG3 PRO B 68 -8.937 3.658 -9.288 1.00 0.00 H +ATOM 4260 HD2 PRO B 68 -7.709 5.953 -7.466 1.00 0.00 H +ATOM 4261 HD3 PRO B 68 -6.944 4.387 -7.702 1.00 0.00 H +ATOM 4262 N PHE B 69 -7.358 8.209 -10.412 1.00 0.00 N +ATOM 4263 CA PHE B 69 -7.445 9.631 -10.937 1.00 0.00 C +ATOM 4264 C PHE B 69 -6.053 9.918 -11.657 1.00 0.00 C +ATOM 4265 O PHE B 69 -6.061 10.501 -12.737 1.00 0.00 O +ATOM 4266 CB PHE B 69 -7.875 10.694 -9.854 1.00 0.00 C +ATOM 4267 CG PHE B 69 -9.173 10.204 -9.286 1.00 0.00 C +ATOM 4268 CD1 PHE B 69 -10.368 10.369 -9.954 1.00 0.00 C +ATOM 4269 CD2 PHE B 69 -9.063 9.355 -8.211 1.00 0.00 C +ATOM 4270 CE1 PHE B 69 -11.464 9.547 -9.581 1.00 0.00 C +ATOM 4271 CE2 PHE B 69 -10.179 8.571 -7.775 1.00 0.00 C +ATOM 4272 CZ PHE B 69 -11.440 8.775 -8.423 1.00 0.00 C +ATOM 4273 H PHE B 69 -7.100 8.182 -9.435 1.00 0.00 H +ATOM 4274 HA PHE B 69 -8.179 9.580 -11.741 1.00 0.00 H +ATOM 4275 HB2 PHE B 69 -7.007 10.805 -9.205 1.00 0.00 H +ATOM 4276 HB3 PHE B 69 -7.906 11.622 -10.426 1.00 0.00 H +ATOM 4277 HD1 PHE B 69 -10.199 10.963 -10.840 1.00 0.00 H +ATOM 4278 HD2 PHE B 69 -8.192 9.139 -7.609 1.00 0.00 H +ATOM 4279 HE1 PHE B 69 -12.393 9.501 -10.129 1.00 0.00 H +ATOM 4280 HE2 PHE B 69 -10.116 7.833 -6.989 1.00 0.00 H +ATOM 4281 HZ PHE B 69 -12.354 8.227 -8.247 1.00 0.00 H +ATOM 4282 N ILE B 70 -4.957 9.322 -11.171 1.00 0.00 N +ATOM 4283 CA ILE B 70 -3.665 9.294 -11.781 1.00 0.00 C +ATOM 4284 C ILE B 70 -3.713 8.579 -13.180 1.00 0.00 C +ATOM 4285 O ILE B 70 -3.237 9.214 -14.144 1.00 0.00 O +ATOM 4286 CB ILE B 70 -2.653 8.631 -10.788 1.00 0.00 C +ATOM 4287 CG1 ILE B 70 -2.456 9.507 -9.487 1.00 0.00 C +ATOM 4288 CG2 ILE B 70 -1.354 8.141 -11.404 1.00 0.00 C +ATOM 4289 CD1 ILE B 70 -1.592 8.816 -8.469 1.00 0.00 C +ATOM 4290 H ILE B 70 -5.133 8.640 -10.446 1.00 0.00 H +ATOM 4291 HA ILE B 70 -3.365 10.312 -12.030 1.00 0.00 H +ATOM 4292 HB ILE B 70 -3.103 7.688 -10.477 1.00 0.00 H +ATOM 4293 HG12 ILE B 70 -2.063 10.510 -9.657 1.00 0.00 H +ATOM 4294 HG13 ILE B 70 -3.377 9.704 -8.938 1.00 0.00 H +ATOM 4295 HG21 ILE B 70 -0.849 8.960 -11.918 1.00 0.00 H +ATOM 4296 HG22 ILE B 70 -0.662 7.596 -10.762 1.00 0.00 H +ATOM 4297 HG23 ILE B 70 -1.674 7.346 -12.077 1.00 0.00 H +ATOM 4298 HD11 ILE B 70 -1.575 9.245 -7.467 1.00 0.00 H +ATOM 4299 HD12 ILE B 70 -1.860 7.761 -8.514 1.00 0.00 H +ATOM 4300 HD13 ILE B 70 -0.578 9.035 -8.803 1.00 0.00 H +ATOM 4301 N TYR B 71 -4.288 7.371 -13.258 1.00 0.00 N +ATOM 4302 CA TYR B 71 -4.506 6.665 -14.597 1.00 0.00 C +ATOM 4303 C TYR B 71 -5.343 7.521 -15.538 1.00 0.00 C +ATOM 4304 O TYR B 71 -5.074 7.651 -16.760 1.00 0.00 O +ATOM 4305 CB TYR B 71 -5.200 5.312 -14.442 1.00 0.00 C +ATOM 4306 CG TYR B 71 -4.610 4.412 -13.377 1.00 0.00 C +ATOM 4307 CD1 TYR B 71 -3.186 4.258 -13.233 1.00 0.00 C +ATOM 4308 CD2 TYR B 71 -5.450 3.713 -12.420 1.00 0.00 C +ATOM 4309 CE1 TYR B 71 -2.673 3.365 -12.310 1.00 0.00 C +ATOM 4310 CE2 TYR B 71 -4.905 2.863 -11.386 1.00 0.00 C +ATOM 4311 CZ TYR B 71 -3.475 2.723 -11.309 1.00 0.00 C +ATOM 4312 OH TYR B 71 -2.840 1.954 -10.447 1.00 0.00 O +ATOM 4313 H TYR B 71 -4.544 6.816 -12.454 1.00 0.00 H +ATOM 4314 HA TYR B 71 -3.628 6.438 -15.201 1.00 0.00 H +ATOM 4315 HB2 TYR B 71 -6.272 5.414 -14.274 1.00 0.00 H +ATOM 4316 HB3 TYR B 71 -5.145 4.813 -15.409 1.00 0.00 H +ATOM 4317 HD1 TYR B 71 -2.485 4.818 -13.834 1.00 0.00 H +ATOM 4318 HD2 TYR B 71 -6.524 3.814 -12.466 1.00 0.00 H +ATOM 4319 HE1 TYR B 71 -1.594 3.383 -12.274 1.00 0.00 H +ATOM 4320 HE2 TYR B 71 -5.526 2.345 -10.670 1.00 0.00 H +ATOM 4321 HH TYR B 71 -3.390 1.357 -9.934 1.00 0.00 H +ATOM 4322 N ALA B 72 -6.452 8.110 -15.027 1.00 0.00 N +ATOM 4323 CA ALA B 72 -7.417 8.779 -15.908 1.00 0.00 C +ATOM 4324 C ALA B 72 -6.898 10.060 -16.496 1.00 0.00 C +ATOM 4325 O ALA B 72 -7.594 10.502 -17.450 1.00 0.00 O +ATOM 4326 CB ALA B 72 -8.739 8.940 -15.199 1.00 0.00 C +ATOM 4327 H ALA B 72 -6.776 7.872 -14.100 1.00 0.00 H +ATOM 4328 HA ALA B 72 -7.690 8.157 -16.761 1.00 0.00 H +ATOM 4329 HB1 ALA B 72 -9.472 9.340 -15.900 1.00 0.00 H +ATOM 4330 HB2 ALA B 72 -9.039 7.938 -14.893 1.00 0.00 H +ATOM 4331 HB3 ALA B 72 -8.527 9.625 -14.378 1.00 0.00 H +ATOM 4332 N TYR B 73 -5.761 10.582 -16.050 1.00 0.00 N +ATOM 4333 CA TYR B 73 -4.938 11.640 -16.687 1.00 0.00 C +ATOM 4334 C TYR B 73 -3.487 11.219 -16.929 1.00 0.00 C +ATOM 4335 O TYR B 73 -2.586 12.094 -16.998 1.00 0.00 O +ATOM 4336 CB TYR B 73 -5.265 12.935 -15.938 1.00 0.00 C +ATOM 4337 CG TYR B 73 -6.724 13.400 -15.978 1.00 0.00 C +ATOM 4338 CD1 TYR B 73 -7.579 13.172 -14.893 1.00 0.00 C +ATOM 4339 CD2 TYR B 73 -7.251 14.123 -17.119 1.00 0.00 C +ATOM 4340 CE1 TYR B 73 -8.902 13.433 -14.953 1.00 0.00 C +ATOM 4341 CE2 TYR B 73 -8.643 14.312 -17.209 1.00 0.00 C +ATOM 4342 CZ TYR B 73 -9.461 13.986 -16.107 1.00 0.00 C +ATOM 4343 OH TYR B 73 -10.774 14.273 -16.221 1.00 0.00 O +ATOM 4344 H TYR B 73 -5.298 10.212 -15.232 1.00 0.00 H +ATOM 4345 HA TYR B 73 -5.366 11.811 -17.675 1.00 0.00 H +ATOM 4346 HB2 TYR B 73 -4.939 12.774 -14.911 1.00 0.00 H +ATOM 4347 HB3 TYR B 73 -4.623 13.749 -16.275 1.00 0.00 H +ATOM 4348 HD1 TYR B 73 -7.187 12.622 -14.050 1.00 0.00 H +ATOM 4349 HD2 TYR B 73 -6.656 14.413 -17.972 1.00 0.00 H +ATOM 4350 HE1 TYR B 73 -9.528 13.363 -14.076 1.00 0.00 H +ATOM 4351 HE2 TYR B 73 -9.015 14.916 -18.023 1.00 0.00 H +ATOM 4352 HH TYR B 73 -10.897 14.512 -17.142 1.00 0.00 H +ATOM 4353 N ARG B 74 -3.273 9.897 -17.206 1.00 0.00 N +ATOM 4354 CA ARG B 74 -1.987 9.350 -17.766 1.00 0.00 C +ATOM 4355 C ARG B 74 -2.149 8.403 -18.953 1.00 0.00 C +ATOM 4356 O ARG B 74 -1.176 8.179 -19.709 1.00 0.00 O +ATOM 4357 CB ARG B 74 -0.991 8.751 -16.689 1.00 0.00 C +ATOM 4358 CG ARG B 74 -0.533 9.843 -15.701 1.00 0.00 C +ATOM 4359 CD ARG B 74 0.385 9.382 -14.624 1.00 0.00 C +ATOM 4360 NE ARG B 74 1.766 9.232 -15.143 1.00 0.00 N +ATOM 4361 CZ ARG B 74 2.622 10.217 -15.451 1.00 0.00 C +ATOM 4362 NH1 ARG B 74 2.373 11.446 -14.952 1.00 0.00 N +ATOM 4363 NH2 ARG B 74 3.727 9.987 -16.191 1.00 0.00 N +ATOM 4364 H ARG B 74 -4.114 9.338 -17.198 1.00 0.00 H +ATOM 4365 HA ARG B 74 -1.376 10.157 -18.173 1.00 0.00 H +ATOM 4366 HB2 ARG B 74 -1.425 7.956 -16.083 1.00 0.00 H +ATOM 4367 HB3 ARG B 74 -0.115 8.429 -17.253 1.00 0.00 H +ATOM 4368 HG2 ARG B 74 -0.170 10.666 -16.316 1.00 0.00 H +ATOM 4369 HG3 ARG B 74 -1.424 10.259 -15.231 1.00 0.00 H +ATOM 4370 HD2 ARG B 74 0.333 10.005 -13.731 1.00 0.00 H +ATOM 4371 HD3 ARG B 74 0.165 8.349 -14.351 1.00 0.00 H +ATOM 4372 HE ARG B 74 2.062 8.286 -15.340 1.00 0.00 H +ATOM 4373 HH11 ARG B 74 1.503 11.745 -14.536 1.00 0.00 H +ATOM 4374 HH12 ARG B 74 3.008 12.228 -15.027 1.00 0.00 H +ATOM 4375 HH21 ARG B 74 3.829 9.085 -16.634 1.00 0.00 H +ATOM 4376 HH22 ARG B 74 4.353 10.754 -16.394 1.00 0.00 H +ATOM 4377 N ILE B 75 -3.353 7.801 -19.063 1.00 0.00 N +ATOM 4378 CA ILE B 75 -3.661 6.879 -20.151 1.00 0.00 C +ATOM 4379 C ILE B 75 -5.076 7.292 -20.688 1.00 0.00 C +ATOM 4380 O ILE B 75 -6.019 7.208 -19.918 1.00 0.00 O +ATOM 4381 CB ILE B 75 -3.695 5.385 -19.797 1.00 0.00 C +ATOM 4382 CG1 ILE B 75 -2.272 5.027 -19.289 1.00 0.00 C +ATOM 4383 CG2 ILE B 75 -4.276 4.429 -20.853 1.00 0.00 C +ATOM 4384 CD1 ILE B 75 -1.986 3.591 -18.739 1.00 0.00 C +ATOM 4385 H ILE B 75 -4.075 7.806 -18.357 1.00 0.00 H +ATOM 4386 HA ILE B 75 -2.878 6.924 -20.908 1.00 0.00 H +ATOM 4387 HB ILE B 75 -4.263 5.267 -18.874 1.00 0.00 H +ATOM 4388 HG12 ILE B 75 -1.604 5.176 -20.138 1.00 0.00 H +ATOM 4389 HG13 ILE B 75 -2.023 5.746 -18.509 1.00 0.00 H +ATOM 4390 HG21 ILE B 75 -3.723 4.413 -21.793 1.00 0.00 H +ATOM 4391 HG22 ILE B 75 -4.455 3.441 -20.428 1.00 0.00 H +ATOM 4392 HG23 ILE B 75 -5.287 4.711 -21.145 1.00 0.00 H +ATOM 4393 HD11 ILE B 75 -1.098 3.173 -19.214 1.00 0.00 H +ATOM 4394 HD12 ILE B 75 -1.646 3.604 -17.703 1.00 0.00 H +ATOM 4395 HD13 ILE B 75 -2.704 2.799 -18.952 1.00 0.00 H +ATOM 4396 N ARG B 76 -5.099 7.698 -21.968 1.00 0.00 N +ATOM 4397 CA ARG B 76 -6.416 7.783 -22.632 1.00 0.00 C +ATOM 4398 C ARG B 76 -7.375 6.552 -22.605 1.00 0.00 C +ATOM 4399 O ARG B 76 -8.621 6.645 -22.423 1.00 0.00 O +ATOM 4400 CB ARG B 76 -6.474 8.458 -24.006 1.00 0.00 C +ATOM 4401 CG ARG B 76 -5.730 9.824 -24.080 1.00 0.00 C +ATOM 4402 CD ARG B 76 -5.626 10.474 -25.425 1.00 0.00 C +ATOM 4403 NE ARG B 76 -4.838 9.737 -26.398 1.00 0.00 N +ATOM 4404 CZ ARG B 76 -4.859 9.796 -27.708 1.00 0.00 C +ATOM 4405 NH1 ARG B 76 -5.890 10.378 -28.423 1.00 0.00 N +ATOM 4406 NH2 ARG B 76 -3.888 9.218 -28.395 1.00 0.00 N +ATOM 4407 H ARG B 76 -4.264 7.825 -22.520 1.00 0.00 H +ATOM 4408 HA ARG B 76 -6.931 8.454 -21.944 1.00 0.00 H +ATOM 4409 HB2 ARG B 76 -6.222 7.810 -24.845 1.00 0.00 H +ATOM 4410 HB3 ARG B 76 -7.474 8.690 -24.373 1.00 0.00 H +ATOM 4411 HG2 ARG B 76 -5.974 10.406 -23.192 1.00 0.00 H +ATOM 4412 HG3 ARG B 76 -4.713 9.565 -23.785 1.00 0.00 H +ATOM 4413 HD2 ARG B 76 -6.634 10.300 -25.801 1.00 0.00 H +ATOM 4414 HD3 ARG B 76 -5.423 11.534 -25.277 1.00 0.00 H +ATOM 4415 HE ARG B 76 -4.044 9.300 -25.953 1.00 0.00 H +ATOM 4416 HH11 ARG B 76 -6.616 10.854 -27.907 1.00 0.00 H +ATOM 4417 HH12 ARG B 76 -5.739 10.703 -29.367 1.00 0.00 H +ATOM 4418 HH21 ARG B 76 -3.191 8.642 -27.945 1.00 0.00 H +ATOM 4419 HH22 ARG B 76 -3.921 9.081 -29.396 1.00 0.00 H +ATOM 4420 N GLU B 77 -6.826 5.398 -22.901 1.00 0.00 N +ATOM 4421 CA GLU B 77 -7.448 4.112 -22.949 1.00 0.00 C +ATOM 4422 C GLU B 77 -8.158 3.834 -21.573 1.00 0.00 C +ATOM 4423 O GLU B 77 -9.284 3.294 -21.574 1.00 0.00 O +ATOM 4424 CB GLU B 77 -6.454 3.039 -23.293 1.00 0.00 C +ATOM 4425 CG GLU B 77 -6.948 1.709 -23.695 1.00 0.00 C +ATOM 4426 CD GLU B 77 -7.787 1.557 -24.989 1.00 0.00 C +ATOM 4427 OE1 GLU B 77 -7.402 2.266 -25.969 1.00 0.00 O +ATOM 4428 OE2 GLU B 77 -8.671 0.714 -25.054 1.00 0.00 O +ATOM 4429 H GLU B 77 -5.914 5.461 -23.330 1.00 0.00 H +ATOM 4430 HA GLU B 77 -8.150 4.171 -23.781 1.00 0.00 H +ATOM 4431 HB2 GLU B 77 -5.789 3.398 -24.078 1.00 0.00 H +ATOM 4432 HB3 GLU B 77 -5.732 2.949 -22.481 1.00 0.00 H +ATOM 4433 HG2 GLU B 77 -6.255 0.884 -23.860 1.00 0.00 H +ATOM 4434 HG3 GLU B 77 -7.675 1.355 -22.964 1.00 0.00 H +ATOM 4435 N PHE B 78 -7.639 4.177 -20.439 1.00 0.00 N +ATOM 4436 CA PHE B 78 -8.218 4.056 -19.140 1.00 0.00 C +ATOM 4437 C PHE B 78 -9.442 4.978 -19.046 1.00 0.00 C +ATOM 4438 O PHE B 78 -10.499 4.525 -18.644 1.00 0.00 O +ATOM 4439 CB PHE B 78 -7.201 4.467 -18.024 1.00 0.00 C +ATOM 4440 CG PHE B 78 -6.775 3.355 -17.134 1.00 0.00 C +ATOM 4441 CD1 PHE B 78 -7.805 2.689 -16.440 1.00 0.00 C +ATOM 4442 CD2 PHE B 78 -5.463 2.984 -17.021 1.00 0.00 C +ATOM 4443 CE1 PHE B 78 -7.454 1.586 -15.674 1.00 0.00 C +ATOM 4444 CE2 PHE B 78 -5.142 1.890 -16.188 1.00 0.00 C +ATOM 4445 CZ PHE B 78 -6.155 1.230 -15.584 1.00 0.00 C +ATOM 4446 H PHE B 78 -6.728 4.611 -20.470 1.00 0.00 H +ATOM 4447 HA PHE B 78 -8.547 3.031 -18.971 1.00 0.00 H +ATOM 4448 HB2 PHE B 78 -6.356 5.028 -18.423 1.00 0.00 H +ATOM 4449 HB3 PHE B 78 -7.741 5.231 -17.464 1.00 0.00 H +ATOM 4450 HD1 PHE B 78 -8.844 2.948 -16.579 1.00 0.00 H +ATOM 4451 HD2 PHE B 78 -4.708 3.446 -17.639 1.00 0.00 H +ATOM 4452 HE1 PHE B 78 -8.194 1.052 -15.096 1.00 0.00 H +ATOM 4453 HE2 PHE B 78 -4.121 1.570 -16.043 1.00 0.00 H +ATOM 4454 HZ PHE B 78 -5.789 0.350 -15.076 1.00 0.00 H +ATOM 4455 N ARG B 79 -9.283 6.299 -19.411 1.00 0.00 N +ATOM 4456 CA ARG B 79 -10.399 7.238 -19.294 1.00 0.00 C +ATOM 4457 C ARG B 79 -11.585 6.914 -20.259 1.00 0.00 C +ATOM 4458 O ARG B 79 -12.687 6.920 -19.796 1.00 0.00 O +ATOM 4459 CB ARG B 79 -9.777 8.605 -19.694 1.00 0.00 C +ATOM 4460 CG ARG B 79 -10.769 9.728 -19.595 1.00 0.00 C +ATOM 4461 CD ARG B 79 -10.240 11.161 -19.708 1.00 0.00 C +ATOM 4462 NE ARG B 79 -9.405 11.493 -20.909 1.00 0.00 N +ATOM 4463 CZ ARG B 79 -8.134 11.589 -21.047 1.00 0.00 C +ATOM 4464 NH1 ARG B 79 -7.702 11.924 -22.232 1.00 0.00 N +ATOM 4465 NH2 ARG B 79 -7.300 11.412 -20.049 1.00 0.00 N +ATOM 4466 H ARG B 79 -8.442 6.742 -19.754 1.00 0.00 H +ATOM 4467 HA ARG B 79 -10.854 7.283 -18.304 1.00 0.00 H +ATOM 4468 HB2 ARG B 79 -8.842 8.765 -19.156 1.00 0.00 H +ATOM 4469 HB3 ARG B 79 -9.432 8.706 -20.723 1.00 0.00 H +ATOM 4470 HG2 ARG B 79 -11.615 9.635 -20.276 1.00 0.00 H +ATOM 4471 HG3 ARG B 79 -11.242 9.705 -18.613 1.00 0.00 H +ATOM 4472 HD2 ARG B 79 -11.114 11.779 -19.914 1.00 0.00 H +ATOM 4473 HD3 ARG B 79 -9.966 11.470 -18.699 1.00 0.00 H +ATOM 4474 HE ARG B 79 -9.943 11.561 -21.761 1.00 0.00 H +ATOM 4475 HH11 ARG B 79 -8.257 12.148 -23.045 1.00 0.00 H +ATOM 4476 HH12 ARG B 79 -6.731 12.123 -22.425 1.00 0.00 H +ATOM 4477 HH21 ARG B 79 -7.604 11.320 -19.090 1.00 0.00 H +ATOM 4478 HH22 ARG B 79 -6.291 11.410 -20.092 1.00 0.00 H +ATOM 4479 N GLN B 80 -11.258 6.382 -21.438 1.00 0.00 N +ATOM 4480 CA GLN B 80 -12.266 5.799 -22.377 1.00 0.00 C +ATOM 4481 C GLN B 80 -12.859 4.465 -21.839 1.00 0.00 C +ATOM 4482 O GLN B 80 -14.033 4.465 -21.961 1.00 0.00 O +ATOM 4483 CB GLN B 80 -11.495 5.584 -23.733 1.00 0.00 C +ATOM 4484 CG GLN B 80 -10.923 6.901 -24.368 1.00 0.00 C +ATOM 4485 CD GLN B 80 -9.977 6.651 -25.497 1.00 0.00 C +ATOM 4486 NE2 GLN B 80 -9.335 7.707 -26.020 1.00 0.00 N +ATOM 4487 OE1 GLN B 80 -9.754 5.545 -25.982 1.00 0.00 O +ATOM 4488 H GLN B 80 -10.289 6.273 -21.701 1.00 0.00 H +ATOM 4489 HA GLN B 80 -13.101 6.494 -22.469 1.00 0.00 H +ATOM 4490 HB2 GLN B 80 -10.654 4.910 -23.571 1.00 0.00 H +ATOM 4491 HB3 GLN B 80 -12.061 5.086 -24.520 1.00 0.00 H +ATOM 4492 HG2 GLN B 80 -11.865 7.303 -24.741 1.00 0.00 H +ATOM 4493 HG3 GLN B 80 -10.547 7.656 -23.677 1.00 0.00 H +ATOM 4494 HE21 GLN B 80 -9.809 8.598 -25.979 1.00 0.00 H +ATOM 4495 HE22 GLN B 80 -8.742 7.533 -26.819 1.00 0.00 H +ATOM 4496 N THR B 81 -12.137 3.471 -21.176 1.00 0.00 N +ATOM 4497 CA THR B 81 -12.763 2.281 -20.554 1.00 0.00 C +ATOM 4498 C THR B 81 -13.572 2.685 -19.272 1.00 0.00 C +ATOM 4499 O THR B 81 -14.524 2.068 -18.968 1.00 0.00 O +ATOM 4500 CB THR B 81 -11.687 1.207 -20.236 1.00 0.00 C +ATOM 4501 CG2 THR B 81 -12.262 -0.245 -20.124 1.00 0.00 C +ATOM 4502 OG1 THR B 81 -10.858 1.044 -21.373 1.00 0.00 O +ATOM 4503 H THR B 81 -11.130 3.527 -21.220 1.00 0.00 H +ATOM 4504 HA THR B 81 -13.514 1.892 -21.242 1.00 0.00 H +ATOM 4505 HB THR B 81 -11.033 1.474 -19.407 1.00 0.00 H +ATOM 4506 HG1 THR B 81 -10.435 1.905 -21.358 1.00 0.00 H +ATOM 4507 HG21 THR B 81 -11.432 -0.853 -19.766 1.00 0.00 H +ATOM 4508 HG22 THR B 81 -12.925 -0.198 -19.260 1.00 0.00 H +ATOM 4509 HG23 THR B 81 -12.764 -0.592 -21.027 1.00 0.00 H +ATOM 4510 N PHE B 82 -13.255 3.843 -18.610 1.00 0.00 N +ATOM 4511 CA PHE B 82 -14.039 4.415 -17.539 1.00 0.00 C +ATOM 4512 C PHE B 82 -15.390 4.987 -18.020 1.00 0.00 C +ATOM 4513 O PHE B 82 -16.408 4.852 -17.341 1.00 0.00 O +ATOM 4514 CB PHE B 82 -13.147 5.444 -16.723 1.00 0.00 C +ATOM 4515 CG PHE B 82 -12.275 4.924 -15.596 1.00 0.00 C +ATOM 4516 CD1 PHE B 82 -11.817 3.595 -15.565 1.00 0.00 C +ATOM 4517 CD2 PHE B 82 -11.629 5.903 -14.789 1.00 0.00 C +ATOM 4518 CE1 PHE B 82 -10.728 3.305 -14.675 1.00 0.00 C +ATOM 4519 CE2 PHE B 82 -10.556 5.599 -13.954 1.00 0.00 C +ATOM 4520 CZ PHE B 82 -10.150 4.311 -13.935 1.00 0.00 C +ATOM 4521 H PHE B 82 -12.440 4.354 -18.917 1.00 0.00 H +ATOM 4522 HA PHE B 82 -14.418 3.584 -16.943 1.00 0.00 H +ATOM 4523 HB2 PHE B 82 -12.506 5.999 -17.407 1.00 0.00 H +ATOM 4524 HB3 PHE B 82 -13.848 6.163 -16.300 1.00 0.00 H +ATOM 4525 HD1 PHE B 82 -12.214 2.782 -16.155 1.00 0.00 H +ATOM 4526 HD2 PHE B 82 -11.939 6.935 -14.851 1.00 0.00 H +ATOM 4527 HE1 PHE B 82 -10.337 2.298 -14.691 1.00 0.00 H +ATOM 4528 HE2 PHE B 82 -10.059 6.400 -13.427 1.00 0.00 H +ATOM 4529 HZ PHE B 82 -9.312 4.098 -13.287 1.00 0.00 H +ATOM 4530 N ARG B 83 -15.389 5.673 -19.174 1.00 0.00 N +ATOM 4531 CA ARG B 83 -16.572 6.303 -19.823 1.00 0.00 C +ATOM 4532 C ARG B 83 -17.579 5.221 -20.329 1.00 0.00 C +ATOM 4533 O ARG B 83 -18.774 5.296 -20.104 1.00 0.00 O +ATOM 4534 CB ARG B 83 -16.327 7.202 -20.969 1.00 0.00 C +ATOM 4535 CG ARG B 83 -15.585 8.530 -20.744 1.00 0.00 C +ATOM 4536 CD ARG B 83 -15.661 9.466 -21.935 1.00 0.00 C +ATOM 4537 NE ARG B 83 -15.070 8.788 -23.105 1.00 0.00 N +ATOM 4538 CZ ARG B 83 -14.592 9.381 -24.176 1.00 0.00 C +ATOM 4539 NH1 ARG B 83 -14.678 10.733 -24.354 1.00 0.00 N +ATOM 4540 NH2 ARG B 83 -14.160 8.643 -25.196 1.00 0.00 N +ATOM 4541 H ARG B 83 -14.532 5.812 -19.690 1.00 0.00 H +ATOM 4542 HA ARG B 83 -17.031 6.984 -19.106 1.00 0.00 H +ATOM 4543 HB2 ARG B 83 -15.865 6.584 -21.740 1.00 0.00 H +ATOM 4544 HB3 ARG B 83 -17.289 7.394 -21.446 1.00 0.00 H +ATOM 4545 HG2 ARG B 83 -16.301 9.001 -20.070 1.00 0.00 H +ATOM 4546 HG3 ARG B 83 -14.675 8.376 -20.164 1.00 0.00 H +ATOM 4547 HD2 ARG B 83 -16.634 9.927 -22.107 1.00 0.00 H +ATOM 4548 HD3 ARG B 83 -15.033 10.282 -21.577 1.00 0.00 H +ATOM 4549 HE ARG B 83 -15.062 7.781 -23.033 1.00 0.00 H +ATOM 4550 HH11 ARG B 83 -15.096 11.321 -23.647 1.00 0.00 H +ATOM 4551 HH12 ARG B 83 -14.213 11.281 -25.065 1.00 0.00 H +ATOM 4552 HH21 ARG B 83 -13.927 7.671 -25.047 1.00 0.00 H +ATOM 4553 HH22 ARG B 83 -13.870 9.002 -26.094 1.00 0.00 H +ATOM 4554 N LYS B 84 -16.977 4.216 -20.899 1.00 0.00 N +ATOM 4555 CA LYS B 84 -17.631 2.927 -21.259 1.00 0.00 C +ATOM 4556 C LYS B 84 -18.356 2.282 -20.087 1.00 0.00 C +ATOM 4557 O LYS B 84 -19.473 1.740 -20.180 1.00 0.00 O +ATOM 4558 CB LYS B 84 -16.654 1.951 -21.866 1.00 0.00 C +ATOM 4559 CG LYS B 84 -16.205 2.242 -23.313 1.00 0.00 C +ATOM 4560 CD LYS B 84 -15.013 1.410 -23.809 1.00 0.00 C +ATOM 4561 CE LYS B 84 -14.584 1.610 -25.271 1.00 0.00 C +ATOM 4562 NZ LYS B 84 -13.295 0.993 -25.624 1.00 0.00 N +ATOM 4563 H LYS B 84 -15.985 4.211 -21.089 1.00 0.00 H +ATOM 4564 HA LYS B 84 -18.326 3.172 -22.062 1.00 0.00 H +ATOM 4565 HB2 LYS B 84 -15.765 1.981 -21.237 1.00 0.00 H +ATOM 4566 HB3 LYS B 84 -17.090 0.951 -21.856 1.00 0.00 H +ATOM 4567 HG2 LYS B 84 -17.008 1.923 -23.979 1.00 0.00 H +ATOM 4568 HG3 LYS B 84 -16.097 3.269 -23.664 1.00 0.00 H +ATOM 4569 HD2 LYS B 84 -14.157 1.626 -23.170 1.00 0.00 H +ATOM 4570 HD3 LYS B 84 -15.160 0.337 -23.687 1.00 0.00 H +ATOM 4571 HE2 LYS B 84 -15.333 1.130 -25.900 1.00 0.00 H +ATOM 4572 HE3 LYS B 84 -14.631 2.682 -25.458 1.00 0.00 H +ATOM 4573 HZ1 LYS B 84 -12.510 1.436 -25.169 1.00 0.00 H +ATOM 4574 HZ2 LYS B 84 -13.185 0.043 -25.299 1.00 0.00 H +ATOM 4575 HZ3 LYS B 84 -13.078 1.006 -26.610 1.00 0.00 H +ATOM 4576 N ILE B 85 -17.739 2.338 -18.913 1.00 0.00 N +ATOM 4577 CA ILE B 85 -18.284 1.728 -17.686 1.00 0.00 C +ATOM 4578 C ILE B 85 -19.307 2.677 -17.169 1.00 0.00 C +ATOM 4579 O ILE B 85 -20.458 2.215 -16.961 1.00 0.00 O +ATOM 4580 CB ILE B 85 -17.180 1.378 -16.666 1.00 0.00 C +ATOM 4581 CG1 ILE B 85 -16.437 0.102 -17.103 1.00 0.00 C +ATOM 4582 CG2 ILE B 85 -17.680 1.237 -15.205 1.00 0.00 C +ATOM 4583 CD1 ILE B 85 -15.061 0.104 -16.481 1.00 0.00 C +ATOM 4584 H ILE B 85 -16.797 2.689 -18.806 1.00 0.00 H +ATOM 4585 HA ILE B 85 -18.908 0.866 -17.921 1.00 0.00 H +ATOM 4586 HB ILE B 85 -16.387 2.126 -16.667 1.00 0.00 H +ATOM 4587 HG12 ILE B 85 -16.939 -0.747 -16.640 1.00 0.00 H +ATOM 4588 HG13 ILE B 85 -16.433 -0.052 -18.182 1.00 0.00 H +ATOM 4589 HG21 ILE B 85 -17.841 2.203 -14.726 1.00 0.00 H +ATOM 4590 HG22 ILE B 85 -18.592 0.641 -15.194 1.00 0.00 H +ATOM 4591 HG23 ILE B 85 -16.941 0.737 -14.579 1.00 0.00 H +ATOM 4592 HD11 ILE B 85 -14.431 0.987 -16.586 1.00 0.00 H +ATOM 4593 HD12 ILE B 85 -14.939 -0.233 -15.451 1.00 0.00 H +ATOM 4594 HD13 ILE B 85 -14.431 -0.563 -17.070 1.00 0.00 H +ATOM 4595 N ILE B 86 -19.060 3.979 -17.012 1.00 0.00 N +ATOM 4596 CA ILE B 86 -19.875 4.866 -16.198 1.00 0.00 C +ATOM 4597 C ILE B 86 -21.018 5.465 -16.995 1.00 0.00 C +ATOM 4598 O ILE B 86 -22.042 5.816 -16.458 1.00 0.00 O +ATOM 4599 CB ILE B 86 -18.961 5.996 -15.725 1.00 0.00 C +ATOM 4600 CG1 ILE B 86 -17.841 5.455 -14.736 1.00 0.00 C +ATOM 4601 CG2 ILE B 86 -19.647 7.237 -14.943 1.00 0.00 C +ATOM 4602 CD1 ILE B 86 -16.516 6.307 -14.741 1.00 0.00 C +ATOM 4603 H ILE B 86 -18.099 4.253 -17.161 1.00 0.00 H +ATOM 4604 HA ILE B 86 -20.378 4.267 -15.439 1.00 0.00 H +ATOM 4605 HB ILE B 86 -18.442 6.339 -16.619 1.00 0.00 H +ATOM 4606 HG12 ILE B 86 -18.119 5.417 -13.683 1.00 0.00 H +ATOM 4607 HG13 ILE B 86 -17.472 4.502 -15.115 1.00 0.00 H +ATOM 4608 HG21 ILE B 86 -20.157 6.838 -14.066 1.00 0.00 H +ATOM 4609 HG22 ILE B 86 -18.902 7.963 -14.618 1.00 0.00 H +ATOM 4610 HG23 ILE B 86 -20.439 7.798 -15.439 1.00 0.00 H +ATOM 4611 HD11 ILE B 86 -16.355 6.762 -13.764 1.00 0.00 H +ATOM 4612 HD12 ILE B 86 -15.684 5.610 -14.838 1.00 0.00 H +ATOM 4613 HD13 ILE B 86 -16.501 7.110 -15.478 1.00 0.00 H +ATOM 4614 N ARG B 87 -21.006 5.515 -18.309 1.00 0.00 N +ATOM 4615 CA ARG B 87 -22.180 5.813 -19.192 1.00 0.00 C +ATOM 4616 C ARG B 87 -23.180 4.653 -19.361 1.00 0.00 C +ATOM 4617 O ARG B 87 -24.388 4.959 -19.718 1.00 0.00 O +ATOM 4618 CB ARG B 87 -21.643 6.297 -20.579 1.00 0.00 C +ATOM 4619 CG ARG B 87 -20.961 7.611 -20.712 1.00 0.00 C +ATOM 4620 CD ARG B 87 -20.547 7.900 -22.117 1.00 0.00 C +ATOM 4621 NE ARG B 87 -19.836 9.156 -22.297 1.00 0.00 N +ATOM 4622 CZ ARG B 87 -19.451 9.848 -23.370 1.00 0.00 C +ATOM 4623 NH1 ARG B 87 -18.846 11.079 -23.305 1.00 0.00 N +ATOM 4624 NH2 ARG B 87 -19.588 9.315 -24.518 1.00 0.00 N +ATOM 4625 H ARG B 87 -20.092 5.424 -18.730 1.00 0.00 H +ATOM 4626 HA ARG B 87 -22.717 6.701 -18.859 1.00 0.00 H +ATOM 4627 HB2 ARG B 87 -21.012 5.473 -20.913 1.00 0.00 H +ATOM 4628 HB3 ARG B 87 -22.420 6.271 -21.343 1.00 0.00 H +ATOM 4629 HG2 ARG B 87 -21.669 8.302 -20.256 1.00 0.00 H +ATOM 4630 HG3 ARG B 87 -20.045 7.613 -20.121 1.00 0.00 H +ATOM 4631 HD2 ARG B 87 -19.844 7.111 -22.387 1.00 0.00 H +ATOM 4632 HD3 ARG B 87 -21.313 7.839 -22.890 1.00 0.00 H +ATOM 4633 HE ARG B 87 -19.662 9.708 -21.469 1.00 0.00 H +ATOM 4634 HH11 ARG B 87 -18.373 11.446 -22.492 1.00 0.00 H +ATOM 4635 HH12 ARG B 87 -18.496 11.598 -24.098 1.00 0.00 H +ATOM 4636 HH21 ARG B 87 -20.114 8.460 -24.631 1.00 0.00 H +ATOM 4637 HH22 ARG B 87 -19.259 9.737 -25.375 1.00 0.00 H +ATOM 4638 N SER B 88 -22.781 3.462 -18.960 1.00 0.00 N +ATOM 4639 CA SER B 88 -23.513 2.204 -18.940 1.00 0.00 C +ATOM 4640 C SER B 88 -24.097 1.738 -17.641 1.00 0.00 C +ATOM 4641 O SER B 88 -24.204 2.362 -16.583 1.00 0.00 O +ATOM 4642 CB SER B 88 -22.643 1.062 -19.656 1.00 0.00 C +ATOM 4643 OG SER B 88 -23.408 -0.097 -19.899 1.00 0.00 O +ATOM 4644 H SER B 88 -21.835 3.330 -18.633 1.00 0.00 H +ATOM 4645 HA SER B 88 -24.390 2.346 -19.572 1.00 0.00 H +ATOM 4646 HB2 SER B 88 -22.148 1.379 -20.574 1.00 0.00 H +ATOM 4647 HB3 SER B 88 -21.765 0.724 -19.106 1.00 0.00 H +ATOM 4648 HG SER B 88 -23.490 -0.579 -19.073 1.00 0.00 H +HETATM 4649 N NME B 89A -24.616 0.390 -17.915 1.00 0.00 N +HETATM 4650 C NME B 89A -25.299 -0.364 -16.854 1.00 0.00 C +HETATM 4651 H NME B 89A -24.504 -0.017 -18.832 1.00 0.00 H +HETATM 4652 H1 NME B 89A -25.381 0.256 -15.961 1.00 0.00 H +HETATM 4653 H2 NME B 89A -24.728 -1.263 -16.621 1.00 0.00 H +HETATM 4654 H3 NME B 89A -26.296 -0.646 -17.193 1.00 0.00 H +TER 4655 NME B 89 +HETATM 4656 Na NA C 1 -2.456 -0.528 -2.531 1.00 0.00 Na +TER 4657 NA C 1 +HETATM 4658 C11 POP D 1 18.799 26.875 18.167 1.00 0.00 C +HETATM 4659 C14 POP D 1 21.119 26.587 18.732 1.00 0.00 C +HETATM 4660 C13 POP D 1 19.355 25.796 20.234 1.00 0.00 C +HETATM 4661 N POP D 1 19.765 25.946 18.795 1.00 0.00 N +HETATM 4662 C15 POP D 1 19.792 24.533 18.153 1.00 0.00 C +HETATM 4663 C12 POP D 1 20.164 24.450 16.703 1.00 0.00 C +HETATM 4664 O1 POP D 1 21.399 25.067 16.424 1.00 0.00 O +HETATM 4665 P1 POP D 1 22.814 24.351 16.752 1.00 0.00 P +HETATM 4666 O4 POP D 1 23.777 25.450 16.899 1.00 0.00 O +HETATM 4667 O3 POP D 1 22.528 23.418 17.871 1.00 0.00 O +HETATM 4668 O2 POP D 1 23.208 23.488 15.469 1.00 0.00 O +HETATM 4669 C1 POP D 1 22.792 23.969 14.201 1.00 0.00 C +HETATM 4670 C2 POP D 1 21.545 23.230 13.693 1.00 0.00 C +HETATM 4671 O21 POP D 1 21.887 22.134 12.829 1.00 0.00 O +HETATM 4672 C21 POP D 1 22.311 21.040 13.435 1.00 0.00 C +HETATM 4673 O22 POP D 1 22.318 20.838 14.627 1.00 0.00 O +HETATM 4674 C22 POP D 1 22.445 19.971 12.284 1.00 0.00 C +HETATM 4675 C23 POP D 1 23.737 20.082 11.399 1.00 0.00 C +HETATM 4676 C24 POP D 1 23.783 21.137 10.324 1.00 0.00 C +HETATM 4677 C25 POP D 1 24.343 22.459 10.753 1.00 0.00 C +HETATM 4678 C26 POP D 1 24.463 23.432 9.563 1.00 0.00 C +HETATM 4679 C27 POP D 1 25.153 24.767 9.870 1.00 0.00 C +HETATM 4680 C28 POP D 1 24.930 25.724 8.708 1.00 0.00 C +HETATM 4681 C29 POP D 1 25.543 26.994 9.291 1.00 0.00 C +HETATM 4682 C210 POP D 1 25.414 28.235 8.789 1.00 0.00 C +HETATM 4683 C211 POP D 1 24.765 28.599 7.504 1.00 0.00 C +HETATM 4684 C212 POP D 1 25.691 29.212 6.380 1.00 0.00 C +HETATM 4685 C213 POP D 1 25.095 29.386 4.919 1.00 0.00 C +HETATM 4686 C214 POP D 1 24.406 30.787 4.716 1.00 0.00 C +HETATM 4687 C215 POP D 1 23.760 31.003 3.345 1.00 0.00 C +HETATM 4688 C216 POP D 1 24.845 31.068 2.218 1.00 0.00 C +HETATM 4689 C3 POP D 1 20.531 24.136 12.847 1.00 0.00 C +HETATM 4690 O31 POP D 1 21.177 24.924 11.746 1.00 0.00 O +HETATM 4691 C31 POP D 1 20.840 26.279 11.681 1.00 0.00 C +HETATM 4692 O32 POP D 1 19.947 26.813 12.338 1.00 0.00 O +HETATM 4693 C32 POP D 1 21.801 26.999 10.772 1.00 0.00 C +HETATM 4694 C33 POP D 1 21.209 28.084 9.918 1.00 0.00 C +HETATM 4695 C34 POP D 1 20.137 27.492 8.982 1.00 0.00 C +HETATM 4696 C35 POP D 1 19.807 28.392 7.937 1.00 0.00 C +HETATM 4697 C36 POP D 1 18.927 27.722 6.920 1.00 0.00 C +HETATM 4698 C37 POP D 1 19.086 28.573 5.642 1.00 0.00 C +HETATM 4699 C38 POP D 1 18.158 28.018 4.599 1.00 0.00 C +HETATM 4700 C39 POP D 1 16.760 28.651 4.762 1.00 0.00 C +HETATM 4701 C310 POP D 1 15.810 28.102 3.678 1.00 0.00 C +HETATM 4702 C311 POP D 1 14.279 28.303 4.089 1.00 0.00 C +HETATM 4703 C312 POP D 1 13.337 27.659 3.063 1.00 0.00 C +HETATM 4704 C313 POP D 1 12.171 27.048 3.794 1.00 0.00 C +HETATM 4705 C314 POP D 1 10.896 27.800 3.366 1.00 0.00 C +HETATM 4706 C315 POP D 1 9.654 27.100 3.873 1.00 0.00 C +HETATM 4707 C316 POP D 1 8.394 27.609 3.099 1.00 0.00 C +HETATM 4708 C217 POP D 1 24.293 31.394 0.888 1.00 0.00 C +HETATM 4709 C218 POP D 1 25.218 30.944 -0.319 1.00 0.00 C +HETATM 4710 H21 POP D 1 17.827 26.404 18.179 1.00 0.00 H +HETATM 4711 H22 POP D 1 19.006 27.054 17.123 1.00 0.00 H +HETATM 4712 H23 POP D 1 18.690 27.820 18.679 1.00 0.00 H +HETATM 4713 H41 POP D 1 21.027 27.607 19.073 1.00 0.00 H +HETATM 4714 H42 POP D 1 21.730 26.066 19.454 1.00 0.00 H +HETATM 4715 H43 POP D 1 21.564 26.589 17.748 1.00 0.00 H +HETATM 4716 H31 POP D 1 18.344 25.416 20.197 1.00 0.00 H +HETATM 4717 H32 POP D 1 20.052 25.228 20.832 1.00 0.00 H +HETATM 4718 H33 POP D 1 19.278 26.735 20.762 1.00 0.00 H +HETATM 4719 H11 POP D 1 20.469 23.966 18.775 1.00 0.00 H +HETATM 4720 H12 POP D 1 18.865 24.057 18.438 1.00 0.00 H +HETATM 4721 H52 POP D 1 19.372 24.957 16.112 1.00 0.00 H +HETATM 4722 H51 POP D 1 20.006 23.426 16.304 1.00 0.00 H +HETATM 4723 HA POP D 1 23.621 23.841 13.473 1.00 0.00 H +HETATM 4724 HB POP D 1 22.468 25.032 14.183 1.00 0.00 H +HETATM 4725 HS POP D 1 20.895 22.924 14.540 1.00 0.00 H +HETATM 4726 H2R POP D 1 21.524 20.018 11.665 1.00 0.00 H +HETATM 4727 H2S POP D 1 22.453 19.029 12.873 1.00 0.00 H +HETATM 4728 H3R POP D 1 23.900 19.114 10.878 1.00 0.00 H +HETATM 4729 H3S POP D 1 24.663 20.220 11.997 1.00 0.00 H +HETATM 4730 H4R POP D 1 22.747 21.180 9.923 1.00 0.00 H +HETATM 4731 H4S POP D 1 24.365 20.748 9.462 1.00 0.00 H +HETATM 4732 H5R POP D 1 25.336 22.335 11.234 1.00 0.00 H +HETATM 4733 H5S POP D 1 23.668 22.892 11.522 1.00 0.00 H +HETATM 4734 H6R POP D 1 23.415 23.512 9.203 1.00 0.00 H +HETATM 4735 H6S POP D 1 24.980 23.032 8.665 1.00 0.00 H +HETATM 4736 H7R POP D 1 26.242 24.678 10.070 1.00 0.00 H +HETATM 4737 H7S POP D 1 24.671 25.238 10.754 1.00 0.00 H +HETATM 4738 H8R POP D 1 23.877 25.937 8.424 1.00 0.00 H +HETATM 4739 H8S POP D 1 25.552 25.372 7.858 1.00 0.00 H +HETATM 4740 H91 POP D 1 25.963 26.944 10.306 1.00 0.00 H +HETATM 4741 H101 POP D 1 26.046 29.019 9.233 1.00 0.00 H +HETATM 4742 H11R POP D 1 23.844 29.184 7.712 1.00 0.00 H +HETATM 4743 H11S POP D 1 24.407 27.680 6.994 1.00 0.00 H +HETATM 4744 H12R POP D 1 26.549 28.507 6.344 1.00 0.00 H +HETATM 4745 H12S POP D 1 26.057 30.174 6.798 1.00 0.00 H +HETATM 4746 H13R POP D 1 24.370 28.590 4.645 1.00 0.00 H +HETATM 4747 H13S POP D 1 25.978 29.424 4.246 1.00 0.00 H +HETATM 4748 H14R POP D 1 25.226 31.517 4.886 1.00 0.00 H +HETATM 4749 H14S POP D 1 23.716 30.917 5.577 1.00 0.00 H +HETATM 4750 H15R POP D 1 23.231 31.980 3.312 1.00 0.00 H +HETATM 4751 H15S POP D 1 23.018 30.186 3.224 1.00 0.00 H +HETATM 4752 H16R POP D 1 25.446 30.135 2.162 1.00 0.00 H +HETATM 4753 H16S POP D 1 25.539 31.882 2.516 1.00 0.00 H +HETATM 4754 HX POP D 1 20.080 24.785 13.628 1.00 0.00 H +HETATM 4755 HY POP D 1 19.833 23.404 12.387 1.00 0.00 H +HETATM 4756 H2X POP D 1 22.302 26.293 10.076 1.00 0.00 H +HETATM 4757 H2Y POP D 1 22.558 27.506 11.408 1.00 0.00 H +HETATM 4758 H3X POP D 1 22.000 28.505 9.261 1.00 0.00 H +HETATM 4759 H3Y POP D 1 20.723 28.928 10.452 1.00 0.00 H +HETATM 4760 H4X POP D 1 19.267 27.091 9.544 1.00 0.00 H +HETATM 4761 H4Y POP D 1 20.786 26.710 8.533 1.00 0.00 H +HETATM 4762 H5X POP D 1 20.746 28.682 7.419 1.00 0.00 H +HETATM 4763 H5Y POP D 1 19.329 29.326 8.304 1.00 0.00 H +HETATM 4764 H6X POP D 1 17.910 27.583 7.346 1.00 0.00 H +HETATM 4765 H6Y POP D 1 19.303 26.725 6.607 1.00 0.00 H +HETATM 4766 H7X POP D 1 20.160 28.532 5.360 1.00 0.00 H +HETATM 4767 H7Y POP D 1 18.841 29.643 5.814 1.00 0.00 H +HETATM 4768 H8X POP D 1 18.202 26.912 4.690 1.00 0.00 H +HETATM 4769 H8Y POP D 1 18.506 28.242 3.567 1.00 0.00 H +HETATM 4770 H9X POP D 1 16.707 29.761 4.780 1.00 0.00 H +HETATM 4771 H9Y POP D 1 16.235 28.320 5.683 1.00 0.00 H +HETATM 4772 H10X POP D 1 16.102 27.032 3.619 1.00 0.00 H +HETATM 4773 H10Y POP D 1 16.058 28.590 2.711 1.00 0.00 H +HETATM 4774 H11X POP D 1 14.017 29.372 4.238 1.00 0.00 H +HETATM 4775 H11Y POP D 1 14.220 27.808 5.082 1.00 0.00 H +HETATM 4776 H12X POP D 1 13.884 26.912 2.447 1.00 0.00 H +HETATM 4777 H12Y POP D 1 12.983 28.402 2.317 1.00 0.00 H +HETATM 4778 H13X POP D 1 12.275 26.933 4.894 1.00 0.00 H +HETATM 4779 H13Y POP D 1 12.104 26.026 3.365 1.00 0.00 H +HETATM 4780 H14X POP D 1 10.808 27.905 2.263 1.00 0.00 H +HETATM 4781 H14Y POP D 1 11.085 28.809 3.791 1.00 0.00 H +HETATM 4782 H15X POP D 1 9.526 27.451 4.919 1.00 0.00 H +HETATM 4783 H15Y POP D 1 9.667 26.006 3.675 1.00 0.00 H +HETATM 4784 H16X POP D 1 8.407 28.706 2.926 1.00 0.00 H +HETATM 4785 H16Y POP D 1 7.449 27.307 3.599 1.00 0.00 H +HETATM 4786 H16Z POP D 1 8.395 27.089 2.117 1.00 0.00 H +HETATM 4787 H17R POP D 1 24.067 32.471 0.733 1.00 0.00 H +HETATM 4788 H17S POP D 1 23.312 30.895 0.735 1.00 0.00 H +HETATM 4789 H18R POP D 1 24.865 31.500 -1.214 1.00 0.00 H +HETATM 4790 H18S POP D 1 25.158 29.835 -0.305 1.00 0.00 H +HETATM 4791 H18T POP D 1 26.275 31.239 -0.149 1.00 0.00 H +HETATM 4792 C11 POP D 2 18.136 -23.627 20.735 1.00 0.00 C +HETATM 4793 C14 POP D 2 17.345 -22.338 18.815 1.00 0.00 C +HETATM 4794 C13 POP D 2 15.752 -22.987 20.539 1.00 0.00 C +HETATM 4795 N POP D 2 17.149 -22.528 20.315 1.00 0.00 N +HETATM 4796 C15 POP D 2 17.401 -21.196 20.946 1.00 0.00 C +HETATM 4797 C12 POP D 2 18.893 -20.658 20.935 1.00 0.00 C +HETATM 4798 O1 POP D 2 19.039 -20.027 19.680 1.00 0.00 O +HETATM 4799 P1 POP D 2 20.422 -20.118 18.895 1.00 0.00 P +HETATM 4800 O4 POP D 2 21.303 -19.004 19.445 1.00 0.00 O +HETATM 4801 O3 POP D 2 20.994 -21.470 18.880 1.00 0.00 O +HETATM 4802 O2 POP D 2 20.064 -19.844 17.369 1.00 0.00 O +HETATM 4803 C1 POP D 2 19.875 -18.500 17.065 1.00 0.00 C +HETATM 4804 C2 POP D 2 19.374 -18.194 15.663 1.00 0.00 C +HETATM 4805 O21 POP D 2 20.428 -18.331 14.745 1.00 0.00 O +HETATM 4806 C21 POP D 2 20.645 -19.483 14.244 1.00 0.00 C +HETATM 4807 O22 POP D 2 19.999 -20.505 14.415 1.00 0.00 O +HETATM 4808 C22 POP D 2 21.802 -19.520 13.198 1.00 0.00 C +HETATM 4809 C23 POP D 2 22.365 -18.181 12.743 1.00 0.00 C +HETATM 4810 C24 POP D 2 21.329 -17.159 12.211 1.00 0.00 C +HETATM 4811 C25 POP D 2 20.415 -17.645 11.072 1.00 0.00 C +HETATM 4812 C26 POP D 2 21.137 -17.814 9.778 1.00 0.00 C +HETATM 4813 C27 POP D 2 20.202 -17.814 8.462 1.00 0.00 C +HETATM 4814 C28 POP D 2 21.118 -17.951 7.212 1.00 0.00 C +HETATM 4815 C29 POP D 2 21.782 -19.322 7.100 1.00 0.00 C +HETATM 4816 C210 POP D 2 22.216 -19.898 5.966 1.00 0.00 C +HETATM 4817 C211 POP D 2 22.211 -19.196 4.569 1.00 0.00 C +HETATM 4818 C212 POP D 2 21.175 -19.773 3.587 1.00 0.00 C +HETATM 4819 C213 POP D 2 20.452 -18.711 2.648 1.00 0.00 C +HETATM 4820 C214 POP D 2 19.205 -19.254 1.946 1.00 0.00 C +HETATM 4821 C215 POP D 2 19.561 -20.270 0.854 1.00 0.00 C +HETATM 4822 C216 POP D 2 18.397 -20.568 -0.057 1.00 0.00 C +HETATM 4823 C3 POP D 2 18.674 -16.843 15.572 1.00 0.00 C +HETATM 4824 O31 POP D 2 18.321 -16.568 14.211 1.00 0.00 O +HETATM 4825 C31 POP D 2 17.856 -15.310 14.056 1.00 0.00 C +HETATM 4826 O32 POP D 2 17.519 -14.587 14.924 1.00 0.00 O +HETATM 4827 C32 POP D 2 17.760 -14.940 12.534 1.00 0.00 C +HETATM 4828 C33 POP D 2 18.951 -14.012 12.001 1.00 0.00 C +HETATM 4829 C34 POP D 2 18.579 -13.352 10.664 1.00 0.00 C +HETATM 4830 C35 POP D 2 19.176 -14.031 9.389 1.00 0.00 C +HETATM 4831 C36 POP D 2 18.694 -13.463 8.069 1.00 0.00 C +HETATM 4832 C37 POP D 2 19.104 -14.236 6.756 1.00 0.00 C +HETATM 4833 C38 POP D 2 20.614 -13.864 6.469 1.00 0.00 C +HETATM 4834 C39 POP D 2 21.174 -14.503 5.145 1.00 0.00 C +HETATM 4835 C310 POP D 2 22.656 -14.060 5.018 1.00 0.00 C +HETATM 4836 C311 POP D 2 23.466 -14.551 3.727 1.00 0.00 C +HETATM 4837 C312 POP D 2 23.440 -16.077 3.490 1.00 0.00 C +HETATM 4838 C313 POP D 2 24.382 -16.690 2.455 1.00 0.00 C +HETATM 4839 C314 POP D 2 24.367 -15.846 1.135 1.00 0.00 C +HETATM 4840 C315 POP D 2 25.111 -16.560 0.004 1.00 0.00 C +HETATM 4841 C316 POP D 2 26.611 -16.447 0.233 1.00 0.00 C +HETATM 4842 C217 POP D 2 18.839 -21.259 -1.343 1.00 0.00 C +HETATM 4843 C218 POP D 2 17.880 -21.385 -2.492 1.00 0.00 C +HETATM 4844 H21 POP D 2 17.828 -24.613 20.420 1.00 0.00 H +HETATM 4845 H22 POP D 2 18.180 -23.650 21.814 1.00 0.00 H +HETATM 4846 H23 POP D 2 19.127 -23.428 20.354 1.00 0.00 H +HETATM 4847 H41 POP D 2 16.916 -21.368 18.612 1.00 0.00 H +HETATM 4848 H42 POP D 2 18.374 -22.320 18.487 1.00 0.00 H +HETATM 4849 H43 POP D 2 16.807 -23.119 18.298 1.00 0.00 H +HETATM 4850 H31 POP D 2 15.606 -23.317 21.557 1.00 0.00 H +HETATM 4851 H32 POP D 2 14.872 -22.465 20.193 1.00 0.00 H +HETATM 4852 H33 POP D 2 15.620 -23.843 19.894 1.00 0.00 H +HETATM 4853 H11 POP D 2 16.812 -20.437 20.453 1.00 0.00 H +HETATM 4854 H12 POP D 2 17.037 -21.242 21.961 1.00 0.00 H +HETATM 4855 H52 POP D 2 19.608 -21.478 21.159 1.00 0.00 H +HETATM 4856 H51 POP D 2 18.982 -19.858 21.701 1.00 0.00 H +HETATM 4857 HA POP D 2 20.805 -17.909 17.207 1.00 0.00 H +HETATM 4858 HB POP D 2 19.116 -17.957 17.667 1.00 0.00 H +HETATM 4859 HS POP D 2 18.483 -18.843 15.528 1.00 0.00 H +HETATM 4860 H2R POP D 2 21.357 -20.145 12.395 1.00 0.00 H +HETATM 4861 H2S POP D 2 22.563 -20.166 13.684 1.00 0.00 H +HETATM 4862 H3R POP D 2 23.079 -18.289 11.899 1.00 0.00 H +HETATM 4863 H3S POP D 2 22.940 -17.653 13.533 1.00 0.00 H +HETATM 4864 H4R POP D 2 21.904 -16.276 11.861 1.00 0.00 H +HETATM 4865 H4S POP D 2 20.637 -16.763 12.985 1.00 0.00 H +HETATM 4866 H5R POP D 2 19.583 -16.985 10.747 1.00 0.00 H +HETATM 4867 H5S POP D 2 19.921 -18.607 11.327 1.00 0.00 H +HETATM 4868 H6R POP D 2 21.734 -18.750 9.826 1.00 0.00 H +HETATM 4869 H6S POP D 2 21.853 -16.966 9.733 1.00 0.00 H +HETATM 4870 H7R POP D 2 19.651 -16.855 8.577 1.00 0.00 H +HETATM 4871 H7S POP D 2 19.416 -18.599 8.468 1.00 0.00 H +HETATM 4872 H8R POP D 2 21.926 -17.206 7.374 1.00 0.00 H +HETATM 4873 H8S POP D 2 20.542 -17.785 6.277 1.00 0.00 H +HETATM 4874 H91 POP D 2 21.954 -19.802 8.075 1.00 0.00 H +HETATM 4875 H101 POP D 2 22.652 -20.907 5.926 1.00 0.00 H +HETATM 4876 H11R POP D 2 23.170 -19.166 4.009 1.00 0.00 H +HETATM 4877 H11S POP D 2 21.818 -18.167 4.715 1.00 0.00 H +HETATM 4878 H12R POP D 2 20.326 -20.272 4.101 1.00 0.00 H +HETATM 4879 H12S POP D 2 21.506 -20.611 2.938 1.00 0.00 H +HETATM 4880 H13R POP D 2 21.274 -18.380 1.977 1.00 0.00 H +HETATM 4881 H13S POP D 2 19.966 -17.957 3.302 1.00 0.00 H +HETATM 4882 H14R POP D 2 18.698 -18.364 1.516 1.00 0.00 H +HETATM 4883 H14S POP D 2 18.594 -19.740 2.736 1.00 0.00 H +HETATM 4884 H15R POP D 2 20.144 -21.144 1.213 1.00 0.00 H +HETATM 4885 H15S POP D 2 20.354 -19.865 0.190 1.00 0.00 H +HETATM 4886 H16R POP D 2 17.764 -19.691 -0.313 1.00 0.00 H +HETATM 4887 H16S POP D 2 17.754 -21.314 0.457 1.00 0.00 H +HETATM 4888 HX POP D 2 19.403 -16.093 15.945 1.00 0.00 H +HETATM 4889 HY POP D 2 17.816 -16.768 16.274 1.00 0.00 H +HETATM 4890 H2X POP D 2 16.868 -14.281 12.463 1.00 0.00 H +HETATM 4891 H2Y POP D 2 17.620 -15.878 11.955 1.00 0.00 H +HETATM 4892 H3X POP D 2 19.905 -14.575 11.917 1.00 0.00 H +HETATM 4893 H3Y POP D 2 19.201 -13.249 12.769 1.00 0.00 H +HETATM 4894 H4X POP D 2 18.987 -12.322 10.584 1.00 0.00 H +HETATM 4895 H4Y POP D 2 17.478 -13.268 10.541 1.00 0.00 H +HETATM 4896 H5X POP D 2 18.841 -15.083 9.513 1.00 0.00 H +HETATM 4897 H5Y POP D 2 20.281 -14.076 9.486 1.00 0.00 H +HETATM 4898 H6X POP D 2 18.976 -12.411 7.852 1.00 0.00 H +HETATM 4899 H6Y POP D 2 17.602 -13.474 7.868 1.00 0.00 H +HETATM 4900 H7X POP D 2 18.517 -13.995 5.844 1.00 0.00 H +HETATM 4901 H7Y POP D 2 19.057 -15.340 6.865 1.00 0.00 H +HETATM 4902 H8X POP D 2 21.334 -14.169 7.258 1.00 0.00 H +HETATM 4903 H8Y POP D 2 20.625 -12.758 6.363 1.00 0.00 H +HETATM 4904 H9X POP D 2 20.506 -14.018 4.401 1.00 0.00 H +HETATM 4905 H9Y POP D 2 21.119 -15.611 5.203 1.00 0.00 H +HETATM 4906 H10X POP D 2 23.140 -14.470 5.930 1.00 0.00 H +HETATM 4907 H10Y POP D 2 22.861 -12.973 5.119 1.00 0.00 H +HETATM 4908 H11X POP D 2 24.517 -14.267 3.944 1.00 0.00 H +HETATM 4909 H11Y POP D 2 23.146 -13.986 2.825 1.00 0.00 H +HETATM 4910 H12X POP D 2 22.385 -16.334 3.253 1.00 0.00 H +HETATM 4911 H12Y POP D 2 23.723 -16.572 4.444 1.00 0.00 H +HETATM 4912 H13X POP D 2 24.031 -17.717 2.217 1.00 0.00 H +HETATM 4913 H13Y POP D 2 25.413 -16.718 2.870 1.00 0.00 H +HETATM 4914 H14X POP D 2 24.818 -14.844 1.297 1.00 0.00 H +HETATM 4915 H14Y POP D 2 23.318 -15.673 0.813 1.00 0.00 H +HETATM 4916 H15X POP D 2 24.825 -16.121 -0.976 1.00 0.00 H +HETATM 4917 H15Y POP D 2 24.861 -17.641 -0.043 1.00 0.00 H +HETATM 4918 H16X POP D 2 27.192 -16.940 -0.576 1.00 0.00 H +HETATM 4919 H16Y POP D 2 27.074 -16.887 1.142 1.00 0.00 H +HETATM 4920 H16Z POP D 2 26.820 -15.357 0.275 1.00 0.00 H +HETATM 4921 H17R POP D 2 19.141 -22.306 -1.126 1.00 0.00 H +HETATM 4922 H17S POP D 2 19.711 -20.715 -1.764 1.00 0.00 H +HETATM 4923 H18R POP D 2 18.256 -21.995 -3.341 1.00 0.00 H +HETATM 4924 H18S POP D 2 17.539 -20.374 -2.800 1.00 0.00 H +HETATM 4925 H18T POP D 2 16.950 -21.829 -2.075 1.00 0.00 H +HETATM 4926 C11 POP D 3 21.428 3.890 21.814 1.00 0.00 C +HETATM 4927 C14 POP D 3 19.560 2.484 20.981 1.00 0.00 C +HETATM 4928 C13 POP D 3 20.490 4.128 19.548 1.00 0.00 C +HETATM 4929 N POP D 3 20.869 3.130 20.566 1.00 0.00 N +HETATM 4930 C15 POP D 3 21.894 2.117 20.021 1.00 0.00 C +HETATM 4931 C12 POP D 3 21.602 1.521 18.635 1.00 0.00 C +HETATM 4932 O1 POP D 3 20.397 0.754 18.710 1.00 0.00 O +HETATM 4933 P1 POP D 3 20.400 -0.680 19.265 1.00 0.00 P +HETATM 4934 O4 POP D 3 21.423 -0.637 20.339 1.00 0.00 O +HETATM 4935 O3 POP D 3 19.044 -1.042 19.644 1.00 0.00 O +HETATM 4936 O2 POP D 3 20.885 -1.688 18.131 1.00 0.00 O +HETATM 4937 C1 POP D 3 20.136 -1.695 16.915 1.00 0.00 C +HETATM 4938 C2 POP D 3 20.989 -1.055 15.812 1.00 0.00 C +HETATM 4939 O21 POP D 3 20.376 -1.498 14.555 1.00 0.00 O +HETATM 4940 C21 POP D 3 20.240 -0.557 13.637 1.00 0.00 C +HETATM 4941 O22 POP D 3 20.462 0.626 13.868 1.00 0.00 O +HETATM 4942 C22 POP D 3 19.676 -1.103 12.318 1.00 0.00 C +HETATM 4943 C23 POP D 3 19.953 -0.180 11.169 1.00 0.00 C +HETATM 4944 C24 POP D 3 21.403 0.048 10.819 1.00 0.00 C +HETATM 4945 C25 POP D 3 21.519 0.626 9.344 1.00 0.00 C +HETATM 4946 C26 POP D 3 22.897 0.313 8.815 1.00 0.00 C +HETATM 4947 C27 POP D 3 23.150 1.155 7.488 1.00 0.00 C +HETATM 4948 C28 POP D 3 24.620 0.949 6.873 1.00 0.00 C +HETATM 4949 C29 POP D 3 24.770 1.716 5.580 1.00 0.00 C +HETATM 4950 C210 POP D 3 24.353 1.307 4.376 1.00 0.00 C +HETATM 4951 C211 POP D 3 23.512 0.081 3.990 1.00 0.00 C +HETATM 4952 C212 POP D 3 24.167 -0.584 2.761 1.00 0.00 C +HETATM 4953 C213 POP D 3 23.766 0.095 1.427 1.00 0.00 C +HETATM 4954 C214 POP D 3 25.038 0.699 0.748 1.00 0.00 C +HETATM 4955 C215 POP D 3 24.675 1.683 -0.384 1.00 0.00 C +HETATM 4956 C216 POP D 3 25.908 2.013 -1.304 1.00 0.00 C +HETATM 4957 C3 POP D 3 22.422 -1.498 15.842 1.00 0.00 C +HETATM 4958 O31 POP D 3 23.230 -0.912 14.736 1.00 0.00 O +HETATM 4959 C31 POP D 3 23.658 0.345 14.948 1.00 0.00 C +HETATM 4960 O32 POP D 3 23.655 0.934 15.973 1.00 0.00 O +HETATM 4961 C32 POP D 3 24.171 0.857 13.565 1.00 0.00 C +HETATM 4962 C33 POP D 3 24.208 2.401 13.627 1.00 0.00 C +HETATM 4963 C34 POP D 3 24.599 2.988 12.212 1.00 0.00 C +HETATM 4964 C35 POP D 3 25.714 2.192 11.522 1.00 0.00 C +HETATM 4965 C36 POP D 3 26.353 2.979 10.374 1.00 0.00 C +HETATM 4966 C37 POP D 3 27.414 2.269 9.603 1.00 0.00 C +HETATM 4967 C38 POP D 3 28.575 1.873 10.531 1.00 0.00 C +HETATM 4968 C39 POP D 3 29.734 1.042 10.017 1.00 0.00 C +HETATM 4969 C310 POP D 3 29.600 -0.519 9.728 1.00 0.00 C +HETATM 4970 C311 POP D 3 29.146 -0.966 8.314 1.00 0.00 C +HETATM 4971 C312 POP D 3 30.316 -1.499 7.551 1.00 0.00 C +HETATM 4972 C313 POP D 3 29.679 -2.557 6.580 1.00 0.00 C +HETATM 4973 C314 POP D 3 28.577 -1.992 5.618 1.00 0.00 C +HETATM 4974 C315 POP D 3 27.859 -3.074 4.825 1.00 0.00 C +HETATM 4975 C316 POP D 3 26.750 -2.625 3.818 1.00 0.00 C +HETATM 4976 C217 POP D 3 25.526 3.034 -2.399 1.00 0.00 C +HETATM 4977 C218 POP D 3 26.773 3.373 -3.250 1.00 0.00 C +HETATM 4978 H21 POP D 3 20.828 4.777 21.955 1.00 0.00 H +HETATM 4979 H22 POP D 3 22.469 4.077 21.598 1.00 0.00 H +HETATM 4980 H23 POP D 3 21.298 3.274 22.692 1.00 0.00 H +HETATM 4981 H41 POP D 3 19.161 2.012 20.096 1.00 0.00 H +HETATM 4982 H42 POP D 3 19.543 1.790 21.809 1.00 0.00 H +HETATM 4983 H43 POP D 3 18.902 3.305 21.226 1.00 0.00 H +HETATM 4984 H31 POP D 3 19.741 4.779 19.974 1.00 0.00 H +HETATM 4985 H32 POP D 3 21.367 4.701 19.285 1.00 0.00 H +HETATM 4986 H33 POP D 3 20.023 3.571 18.749 1.00 0.00 H +HETATM 4987 H11 POP D 3 22.891 2.508 20.163 1.00 0.00 H +HETATM 4988 H12 POP D 3 21.864 1.222 20.624 1.00 0.00 H +HETATM 4989 H52 POP D 3 22.496 0.910 18.385 1.00 0.00 H +HETATM 4990 H51 POP D 3 21.407 2.288 17.856 1.00 0.00 H +HETATM 4991 HA POP D 3 19.223 -1.066 16.979 1.00 0.00 H +HETATM 4992 HB POP D 3 19.778 -2.724 16.698 1.00 0.00 H +HETATM 4993 HS POP D 3 20.874 0.033 16.004 1.00 0.00 H +HETATM 4994 H2R POP D 3 18.604 -1.380 12.413 1.00 0.00 H +HETATM 4995 H2S POP D 3 20.171 -2.097 12.338 1.00 0.00 H +HETATM 4996 H3R POP D 3 19.557 0.854 11.259 1.00 0.00 H +HETATM 4997 H3S POP D 3 19.559 -0.617 10.227 1.00 0.00 H +HETATM 4998 H4R POP D 3 21.761 -1.002 10.774 1.00 0.00 H +HETATM 4999 H4S POP D 3 22.001 0.693 11.497 1.00 0.00 H +HETATM 5000 H5R POP D 3 21.363 1.724 9.279 1.00 0.00 H +HETATM 5001 H5S POP D 3 20.685 0.215 8.736 1.00 0.00 H +HETATM 5002 H6R POP D 3 22.876 -0.790 8.685 1.00 0.00 H +HETATM 5003 H6S POP D 3 23.682 0.406 9.596 1.00 0.00 H +HETATM 5004 H7R POP D 3 22.986 2.245 7.624 1.00 0.00 H +HETATM 5005 H7S POP D 3 22.349 0.917 6.756 1.00 0.00 H +HETATM 5006 H8R POP D 3 24.707 -0.110 6.546 1.00 0.00 H +HETATM 5007 H8S POP D 3 25.389 1.210 7.631 1.00 0.00 H +HETATM 5008 H91 POP D 3 25.484 2.553 5.545 1.00 0.00 H +HETATM 5009 H101 POP D 3 24.561 1.973 3.526 1.00 0.00 H +HETATM 5010 H11R POP D 3 22.492 0.439 3.736 1.00 0.00 H +HETATM 5011 H11S POP D 3 23.491 -0.644 4.832 1.00 0.00 H +HETATM 5012 H12R POP D 3 23.698 -1.588 2.684 1.00 0.00 H +HETATM 5013 H12S POP D 3 25.273 -0.680 2.792 1.00 0.00 H +HETATM 5014 H13R POP D 3 23.049 0.911 1.659 1.00 0.00 H +HETATM 5015 H13S POP D 3 23.235 -0.570 0.711 1.00 0.00 H +HETATM 5016 H14R POP D 3 25.568 -0.140 0.248 1.00 0.00 H +HETATM 5017 H14S POP D 3 25.743 1.143 1.482 1.00 0.00 H +HETATM 5018 H15R POP D 3 24.179 2.627 -0.070 1.00 0.00 H +HETATM 5019 H15S POP D 3 24.034 1.172 -1.133 1.00 0.00 H +HETATM 5020 H16R POP D 3 26.260 1.057 -1.747 1.00 0.00 H +HETATM 5021 H16S POP D 3 26.655 2.516 -0.653 1.00 0.00 H +HETATM 5022 HX POP D 3 22.364 -2.601 15.718 1.00 0.00 H +HETATM 5023 HY POP D 3 22.866 -1.261 16.833 1.00 0.00 H +HETATM 5024 H2X POP D 3 23.454 0.575 12.764 1.00 0.00 H +HETATM 5025 H2Y POP D 3 25.223 0.504 13.517 1.00 0.00 H +HETATM 5026 H3X POP D 3 25.090 2.628 14.263 1.00 0.00 H +HETATM 5027 H3Y POP D 3 23.250 2.870 13.938 1.00 0.00 H +HETATM 5028 H4X POP D 3 25.024 3.989 12.439 1.00 0.00 H +HETATM 5029 H4Y POP D 3 23.768 3.124 11.487 1.00 0.00 H +HETATM 5030 H5X POP D 3 25.457 1.152 11.230 1.00 0.00 H +HETATM 5031 H5Y POP D 3 26.481 1.940 12.285 1.00 0.00 H +HETATM 5032 H6X POP D 3 26.802 3.900 10.803 1.00 0.00 H +HETATM 5033 H6Y POP D 3 25.590 3.320 9.641 1.00 0.00 H +HETATM 5034 H7X POP D 3 27.884 2.945 8.857 1.00 0.00 H +HETATM 5035 H7Y POP D 3 27.009 1.322 9.187 1.00 0.00 H +HETATM 5036 H8X POP D 3 28.180 1.386 11.449 1.00 0.00 H +HETATM 5037 H8Y POP D 3 28.911 2.870 10.886 1.00 0.00 H +HETATM 5038 H9X POP D 3 30.509 1.058 10.812 1.00 0.00 H +HETATM 5039 H9Y POP D 3 30.199 1.543 9.141 1.00 0.00 H +HETATM 5040 H10X POP D 3 28.981 -0.991 10.521 1.00 0.00 H +HETATM 5041 H10Y POP D 3 30.571 -1.018 9.934 1.00 0.00 H +HETATM 5042 H11X POP D 3 28.724 -0.098 7.762 1.00 0.00 H +HETATM 5043 H11Y POP D 3 28.307 -1.689 8.394 1.00 0.00 H +HETATM 5044 H12X POP D 3 31.055 -1.998 8.215 1.00 0.00 H +HETATM 5045 H12Y POP D 3 30.797 -0.685 6.968 1.00 0.00 H +HETATM 5046 H13X POP D 3 29.171 -3.363 7.153 1.00 0.00 H +HETATM 5047 H13Y POP D 3 30.516 -2.984 5.987 1.00 0.00 H +HETATM 5048 H14X POP D 3 29.166 -1.358 4.922 1.00 0.00 H +HETATM 5049 H14Y POP D 3 27.885 -1.314 6.161 1.00 0.00 H +HETATM 5050 H15X POP D 3 27.485 -3.845 5.532 1.00 0.00 H +HETATM 5051 H15Y POP D 3 28.602 -3.690 4.274 1.00 0.00 H +HETATM 5052 H16X POP D 3 26.377 -3.509 3.258 1.00 0.00 H +HETATM 5053 H16Y POP D 3 27.040 -1.895 3.033 1.00 0.00 H +HETATM 5054 H16Z POP D 3 25.967 -2.112 4.417 1.00 0.00 H +HETATM 5055 H17R POP D 3 25.046 3.916 -1.924 1.00 0.00 H +HETATM 5056 H17S POP D 3 24.830 2.562 -3.125 1.00 0.00 H +HETATM 5057 H18R POP D 3 27.148 2.557 -3.904 1.00 0.00 H +HETATM 5058 H18S POP D 3 27.519 3.732 -2.509 1.00 0.00 H +HETATM 5059 H18T POP D 3 26.566 4.179 -3.987 1.00 0.00 H +HETATM 5060 C11 POP D 4 -19.591 -8.416 21.028 1.00 0.00 C +HETATM 5061 C14 POP D 4 -17.720 -9.528 22.019 1.00 0.00 C +HETATM 5062 C13 POP D 4 -19.888 -10.453 22.281 1.00 0.00 C +HETATM 5063 N POP D 4 -19.015 -9.703 21.320 1.00 0.00 N +HETATM 5064 C15 POP D 4 -18.858 -10.472 20.017 1.00 0.00 C +HETATM 5065 C12 POP D 4 -20.091 -10.679 19.080 1.00 0.00 C +HETATM 5066 O1 POP D 4 -21.293 -11.200 19.715 1.00 0.00 O +HETATM 5067 P1 POP D 4 -22.688 -10.578 19.323 1.00 0.00 P +HETATM 5068 O4 POP D 4 -23.722 -11.027 20.222 1.00 0.00 O +HETATM 5069 O3 POP D 4 -22.452 -9.111 19.229 1.00 0.00 O +HETATM 5070 O2 POP D 4 -22.891 -11.114 17.818 1.00 0.00 O +HETATM 5071 C1 POP D 4 -23.171 -12.442 17.599 1.00 0.00 C +HETATM 5072 C2 POP D 4 -23.822 -12.728 16.178 1.00 0.00 C +HETATM 5073 O21 POP D 4 -22.964 -12.206 15.157 1.00 0.00 O +HETATM 5074 C21 POP D 4 -21.837 -12.895 14.921 1.00 0.00 C +HETATM 5075 O22 POP D 4 -21.551 -13.895 15.527 1.00 0.00 O +HETATM 5076 C22 POP D 4 -20.955 -12.383 13.656 1.00 0.00 C +HETATM 5077 C23 POP D 4 -20.592 -13.566 12.775 1.00 0.00 C +HETATM 5078 C24 POP D 4 -19.783 -13.177 11.623 1.00 0.00 C +HETATM 5079 C25 POP D 4 -19.028 -14.374 10.903 1.00 0.00 C +HETATM 5080 C26 POP D 4 -18.253 -14.029 9.655 1.00 0.00 C +HETATM 5081 C27 POP D 4 -16.959 -13.296 10.111 1.00 0.00 C +HETATM 5082 C28 POP D 4 -16.259 -12.491 8.999 1.00 0.00 C +HETATM 5083 C29 POP D 4 -17.122 -11.341 8.425 1.00 0.00 C +HETATM 5084 C210 POP D 4 -17.236 -11.085 7.111 1.00 0.00 C +HETATM 5085 C211 POP D 4 -16.424 -11.645 5.908 1.00 0.00 C +HETATM 5086 C212 POP D 4 -17.311 -12.108 4.719 1.00 0.00 C +HETATM 5087 C213 POP D 4 -18.325 -13.245 4.942 1.00 0.00 C +HETATM 5088 C214 POP D 4 -17.648 -14.586 4.907 1.00 0.00 C +HETATM 5089 C215 POP D 4 -18.502 -15.810 4.951 1.00 0.00 C +HETATM 5090 C216 POP D 4 -18.966 -16.015 6.407 1.00 0.00 C +HETATM 5091 C3 POP D 4 -25.230 -12.118 15.974 1.00 0.00 C +HETATM 5092 O31 POP D 4 -25.706 -12.238 14.635 1.00 0.00 O +HETATM 5093 C31 POP D 4 -25.308 -11.311 13.807 1.00 0.00 C +HETATM 5094 O32 POP D 4 -24.778 -10.237 14.139 1.00 0.00 O +HETATM 5095 C32 POP D 4 -25.875 -11.563 12.416 1.00 0.00 C +HETATM 5096 C33 POP D 4 -24.840 -11.758 11.359 1.00 0.00 C +HETATM 5097 C34 POP D 4 -24.344 -13.166 11.278 1.00 0.00 C +HETATM 5098 C35 POP D 4 -23.360 -13.429 10.141 1.00 0.00 C +HETATM 5099 C36 POP D 4 -24.094 -13.860 8.828 1.00 0.00 C +HETATM 5100 C37 POP D 4 -23.198 -14.087 7.648 1.00 0.00 C +HETATM 5101 C38 POP D 4 -23.979 -14.587 6.488 1.00 0.00 C +HETATM 5102 C39 POP D 4 -25.162 -13.727 6.147 1.00 0.00 C +HETATM 5103 C310 POP D 4 -25.764 -14.057 4.748 1.00 0.00 C +HETATM 5104 C311 POP D 4 -26.055 -15.471 4.472 1.00 0.00 C +HETATM 5105 C312 POP D 4 -26.890 -15.704 3.222 1.00 0.00 C +HETATM 5106 C313 POP D 4 -27.256 -17.154 3.005 1.00 0.00 C +HETATM 5107 C314 POP D 4 -28.340 -17.358 1.933 1.00 0.00 C +HETATM 5108 C315 POP D 4 -27.835 -16.962 0.501 1.00 0.00 C +HETATM 5109 C316 POP D 4 -28.899 -17.202 -0.626 1.00 0.00 C +HETATM 5110 C217 POP D 4 -19.728 -17.310 6.611 1.00 0.00 C +HETATM 5111 C218 POP D 4 -19.834 -17.659 8.116 1.00 0.00 C +HETATM 5112 H21 POP D 4 -18.919 -7.821 20.427 1.00 0.00 H +HETATM 5113 H22 POP D 4 -19.843 -7.807 21.883 1.00 0.00 H +HETATM 5114 H23 POP D 4 -20.501 -8.498 20.453 1.00 0.00 H +HETATM 5115 H41 POP D 4 -17.286 -10.478 22.293 1.00 0.00 H +HETATM 5116 H42 POP D 4 -17.005 -8.940 21.463 1.00 0.00 H 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10.956 1.00 0.00 H +HETATM 5134 H5R POP D 4 -19.648 -15.258 10.644 1.00 0.00 H +HETATM 5135 H5S POP D 4 -18.263 -14.744 11.620 1.00 0.00 H +HETATM 5136 H6R POP D 4 -18.925 -13.468 8.971 1.00 0.00 H +HETATM 5137 H6S POP D 4 -17.949 -14.908 9.048 1.00 0.00 H +HETATM 5138 H7R POP D 4 -16.332 -14.105 10.543 1.00 0.00 H +HETATM 5139 H7S POP D 4 -17.188 -12.517 10.869 1.00 0.00 H +HETATM 5140 H8R POP D 4 -16.004 -13.221 8.201 1.00 0.00 H +HETATM 5141 H8S POP D 4 -15.288 -12.103 9.374 1.00 0.00 H +HETATM 5142 H91 POP D 4 -17.682 -10.774 9.184 1.00 0.00 H +HETATM 5143 H101 POP D 4 -17.884 -10.221 6.904 1.00 0.00 H +HETATM 5144 H11R POP D 4 -15.723 -12.477 6.132 1.00 0.00 H +HETATM 5145 H11S POP D 4 -15.840 -10.756 5.587 1.00 0.00 H +HETATM 5146 H12R POP D 4 -16.731 -12.298 3.791 1.00 0.00 H +HETATM 5147 H12S POP D 4 -17.901 -11.245 4.343 1.00 0.00 H +HETATM 5148 H13R POP D 4 -19.017 -13.248 4.073 1.00 0.00 H +HETATM 5149 H13S POP D 4 -18.929 -13.025 5.848 1.00 0.00 H +HETATM 5150 H14R POP D 4 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7.985 21.507 2.891 1.00 0.00 C +HETATM 5372 C311 POP D 6 7.950 21.601 1.304 1.00 0.00 C +HETATM 5373 C312 POP D 6 8.985 22.532 0.663 1.00 0.00 C +HETATM 5374 C313 POP D 6 9.013 23.942 1.245 1.00 0.00 C +HETATM 5375 C314 POP D 6 9.899 24.907 0.391 1.00 0.00 C +HETATM 5376 C315 POP D 6 11.393 24.570 0.328 1.00 0.00 C +HETATM 5377 C316 POP D 6 12.226 25.581 -0.371 1.00 0.00 C +HETATM 5378 C217 POP D 6 8.907 11.726 0.770 1.00 0.00 C +HETATM 5379 C218 POP D 6 8.397 10.374 0.317 1.00 0.00 C +HETATM 5380 H21 POP D 6 8.855 13.896 22.269 1.00 0.00 H +HETATM 5381 H22 POP D 6 8.317 14.759 20.880 1.00 0.00 H +HETATM 5382 H23 POP D 6 9.580 15.414 21.916 1.00 0.00 H +HETATM 5383 H41 POP D 6 11.109 13.096 22.220 1.00 0.00 H +HETATM 5384 H42 POP D 6 12.279 13.253 20.859 1.00 0.00 H +HETATM 5385 H43 POP D 6 11.690 14.655 21.742 1.00 0.00 H +HETATM 5386 H31 POP D 6 9.201 11.960 20.889 1.00 0.00 H +HETATM 5387 H32 POP D 6 9.045 12.695 19.247 1.00 0.00 H +HETATM 5388 H33 POP D 6 10.552 12.011 19.798 1.00 0.00 H +HETATM 5389 H11 POP D 6 10.731 15.732 19.665 1.00 0.00 H +HETATM 5390 H12 POP D 6 11.247 14.252 18.737 1.00 0.00 H +HETATM 5391 H52 POP D 6 8.991 14.099 17.817 1.00 0.00 H +HETATM 5392 H51 POP D 6 9.958 15.499 17.464 1.00 0.00 H +HETATM 5393 HA POP D 6 8.583 19.069 15.936 1.00 0.00 H +HETATM 5394 HB POP D 6 7.249 19.331 17.082 1.00 0.00 H +HETATM 5395 HS POP D 6 5.992 17.245 16.075 1.00 0.00 H +HETATM 5396 H2R POP D 6 8.774 14.652 13.848 1.00 0.00 H +HETATM 5397 H2S POP D 6 8.247 15.857 12.618 1.00 0.00 H +HETATM 5398 H3R POP D 6 7.134 13.073 13.420 1.00 0.00 H +HETATM 5399 H3S POP D 6 7.888 13.486 11.895 1.00 0.00 H +HETATM 5400 H4R POP D 6 5.846 15.372 11.897 1.00 0.00 H +HETATM 5401 H4S POP D 6 5.035 14.097 12.837 1.00 0.00 H +HETATM 5402 H5R POP D 6 4.438 13.837 10.537 1.00 0.00 H +HETATM 5403 H5S POP D 6 5.775 12.611 10.748 1.00 0.00 H +HETATM 5404 H6R POP D 6 6.739 15.275 9.890 1.00 0.00 H +HETATM 5405 H6S POP D 6 5.489 14.716 8.728 1.00 0.00 H +HETATM 5406 H7R POP D 6 6.777 12.597 8.719 1.00 0.00 H +HETATM 5407 H7S POP D 6 8.041 13.398 9.602 1.00 0.00 H +HETATM 5408 H8R POP D 6 8.772 13.540 7.293 1.00 0.00 H +HETATM 5409 H8S POP D 6 8.009 15.159 7.565 1.00 0.00 H +HETATM 5410 H91 POP D 6 6.715 12.563 6.286 1.00 0.00 H +HETATM 5411 H101 POP D 6 5.905 13.941 4.617 1.00 0.00 H +HETATM 5412 H11R POP D 6 7.644 16.373 5.850 1.00 0.00 H +HETATM 5413 H11S POP D 6 5.994 16.397 5.159 1.00 0.00 H +HETATM 5414 H12R POP D 6 7.273 17.093 3.425 1.00 0.00 H +HETATM 5415 H12S POP D 6 6.804 15.378 2.955 1.00 0.00 H +HETATM 5416 H13R POP D 6 9.547 15.712 4.280 1.00 0.00 H +HETATM 5417 H13S POP D 6 9.362 16.443 2.680 1.00 0.00 H +HETATM 5418 H14R POP D 6 8.599 13.545 3.206 1.00 0.00 H +HETATM 5419 H14S POP D 6 10.152 13.922 2.657 1.00 0.00 H +HETATM 5420 H15R POP D 6 9.038 14.455 0.472 1.00 0.00 H +HETATM 5421 H15S POP D 6 7.478 14.766 1.206 1.00 0.00 H +HETATM 5422 H16R POP D 6 7.364 13.125 0.024 1.00 0.00 H +HETATM 5423 H16S POP D 6 7.071 12.527 1.689 1.00 0.00 H 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1.00 0.00 H +HETATM 5442 H10X POP D 6 9.007 21.165 3.165 1.00 0.00 H +HETATM 5443 H10Y POP D 6 7.881 22.528 3.316 1.00 0.00 H +HETATM 5444 H11X POP D 6 6.902 21.888 1.074 1.00 0.00 H +HETATM 5445 H11Y POP D 6 8.093 20.579 0.893 1.00 0.00 H +HETATM 5446 H12X POP D 6 8.662 22.392 -0.391 1.00 0.00 H +HETATM 5447 H12Y POP D 6 10.026 22.163 0.783 1.00 0.00 H +HETATM 5448 H13X POP D 6 9.474 23.921 2.255 1.00 0.00 H +HETATM 5449 H13Y POP D 6 8.027 24.454 1.267 1.00 0.00 H +HETATM 5450 H14X POP D 6 9.828 25.931 0.815 1.00 0.00 H +HETATM 5451 H14Y POP D 6 9.501 24.870 -0.646 1.00 0.00 H +HETATM 5452 H15X POP D 6 11.525 23.589 -0.178 1.00 0.00 H +HETATM 5453 H15Y POP D 6 11.751 24.441 1.372 1.00 0.00 H +HETATM 5454 H16X POP D 6 11.872 25.873 -1.383 1.00 0.00 H +HETATM 5455 H16Y POP D 6 13.223 25.128 -0.558 1.00 0.00 H +HETATM 5456 H16Z POP D 6 12.344 26.559 0.144 1.00 0.00 H +HETATM 5457 H17R POP D 6 9.270 11.642 1.817 1.00 0.00 H +HETATM 5458 H17S POP D 6 9.818 11.999 0.195 1.00 0.00 H +HETATM 5459 H18R POP D 6 7.716 9.996 1.110 1.00 0.00 H +HETATM 5460 H18S POP D 6 9.191 9.598 0.287 1.00 0.00 H +HETATM 5461 H18T POP D 6 7.939 10.435 -0.693 1.00 0.00 H +HETATM 5462 C11 POP D 7 3.654 24.801 17.924 1.00 0.00 C +HETATM 5463 C14 POP D 7 2.446 25.098 20.020 1.00 0.00 C +HETATM 5464 C13 POP D 7 4.825 25.521 20.060 1.00 0.00 C +HETATM 5465 N POP D 7 3.575 25.595 19.149 1.00 0.00 N +HETATM 5466 C15 POP D 7 3.291 27.048 18.766 1.00 0.00 C +HETATM 5467 C12 POP D 7 4.307 27.687 17.652 1.00 0.00 C +HETATM 5468 O1 POP D 7 5.696 27.511 17.936 1.00 0.00 O +HETATM 5469 P1 POP D 7 6.679 26.868 16.904 1.00 0.00 P +HETATM 5470 O4 POP D 7 7.095 27.907 15.941 1.00 0.00 O +HETATM 5471 O3 POP D 7 7.689 26.107 17.648 1.00 0.00 O +HETATM 5472 O2 POP D 7 5.831 25.762 16.247 1.00 0.00 O +HETATM 5473 C1 POP D 7 6.412 25.050 15.179 1.00 0.00 C +HETATM 5474 C2 POP D 7 5.263 24.796 14.089 1.00 0.00 C +HETATM 5475 O21 POP D 7 4.470 26.013 13.960 1.00 0.00 O +HETATM 5476 C21 POP D 7 5.105 27.060 13.367 1.00 0.00 C +HETATM 5477 O22 POP D 7 6.153 27.020 12.726 1.00 0.00 O +HETATM 5478 C22 POP D 7 4.435 28.368 13.657 1.00 0.00 C +HETATM 5479 C23 POP D 7 5.036 29.551 12.917 1.00 0.00 C +HETATM 5480 C24 POP D 7 4.233 30.895 13.225 1.00 0.00 C +HETATM 5481 C25 POP D 7 5.040 32.065 12.811 1.00 0.00 C +HETATM 5482 C26 POP D 7 4.789 32.673 11.416 1.00 0.00 C +HETATM 5483 C27 POP D 7 5.539 34.021 11.086 1.00 0.00 C +HETATM 5484 C28 POP D 7 5.297 34.505 9.639 1.00 0.00 C +HETATM 5485 C29 POP D 7 3.872 35.080 9.551 1.00 0.00 C +HETATM 5486 C210 POP D 7 2.757 34.568 9.001 1.00 0.00 C +HETATM 5487 C211 POP D 7 2.507 33.169 8.387 1.00 0.00 C +HETATM 5488 C212 POP D 7 1.875 33.343 7.029 1.00 0.00 C +HETATM 5489 C213 POP D 7 1.523 31.990 6.303 1.00 0.00 C +HETATM 5490 C214 POP D 7 0.600 32.072 5.065 1.00 0.00 C +HETATM 5491 C215 POP D 7 0.373 30.719 4.343 1.00 0.00 C +HETATM 5492 C216 POP D 7 -0.083 30.763 2.826 1.00 0.00 C +HETATM 5493 C3 POP D 7 4.344 23.686 14.519 1.00 0.00 C +HETATM 5494 O31 POP D 7 3.632 23.268 13.323 1.00 0.00 O +HETATM 5495 C31 POP D 7 2.552 22.524 13.680 1.00 0.00 C +HETATM 5496 O32 POP D 7 2.085 22.516 14.767 1.00 0.00 O +HETATM 5497 C32 POP D 7 2.026 21.729 12.435 1.00 0.00 C +HETATM 5498 C33 POP D 7 0.490 21.560 12.342 1.00 0.00 C +HETATM 5499 C34 POP D 7 0.203 20.399 11.351 1.00 0.00 C +HETATM 5500 C35 POP D 7 0.670 20.870 9.961 1.00 0.00 C +HETATM 5501 C36 POP D 7 0.371 19.916 8.779 1.00 0.00 C +HETATM 5502 C37 POP D 7 1.180 18.570 8.861 1.00 0.00 C +HETATM 5503 C38 POP D 7 1.077 17.827 7.570 1.00 0.00 C +HETATM 5504 C39 POP D 7 1.893 16.513 7.605 1.00 0.00 C +HETATM 5505 C310 POP D 7 1.902 15.815 6.231 1.00 0.00 C +HETATM 5506 C311 POP D 7 2.573 16.661 5.167 1.00 0.00 C +HETATM 5507 C312 POP D 7 2.779 15.774 3.921 1.00 0.00 C +HETATM 5508 C313 POP D 7 3.425 16.594 2.771 1.00 0.00 C +HETATM 5509 C314 POP D 7 2.608 17.715 2.291 1.00 0.00 C +HETATM 5510 C315 POP D 7 3.304 18.607 1.329 1.00 0.00 C +HETATM 5511 C316 POP D 7 2.319 19.703 0.987 1.00 0.00 C +HETATM 5512 C217 POP D 7 -1.558 31.186 2.686 1.00 0.00 C +HETATM 5513 C218 POP D 7 -2.039 31.114 1.250 1.00 0.00 C +HETATM 5514 H21 POP D 7 4.499 25.107 17.325 1.00 0.00 H +HETATM 5515 H22 POP D 7 2.802 24.978 17.285 1.00 0.00 H +HETATM 5516 H23 POP D 7 3.655 23.765 18.229 1.00 0.00 H +HETATM 5517 H41 POP D 7 1.491 25.001 19.525 1.00 0.00 H +HETATM 5518 H42 POP D 7 2.625 24.065 20.279 1.00 0.00 H +HETATM 5519 H43 POP D 7 2.408 25.647 20.950 1.00 0.00 H +HETATM 5520 H31 POP D 7 5.647 25.672 19.377 1.00 0.00 H +HETATM 5521 H32 POP D 7 4.911 26.317 20.785 1.00 0.00 H +HETATM 5522 H33 POP D 7 4.792 24.511 20.443 1.00 0.00 H +HETATM 5523 H11 POP D 7 2.304 27.046 18.326 1.00 0.00 H +HETATM 5524 H12 POP D 7 3.184 27.713 19.610 1.00 0.00 H +HETATM 5525 H52 POP D 7 4.073 28.772 17.705 1.00 0.00 H +HETATM 5526 H51 POP D 7 4.032 27.211 16.687 1.00 0.00 H +HETATM 5527 HA POP D 7 6.807 24.088 15.572 1.00 0.00 H +HETATM 5528 HB POP D 7 7.221 25.614 14.667 1.00 0.00 H +HETATM 5529 HS POP D 7 5.678 24.505 13.101 1.00 0.00 H +HETATM 5530 H2R POP D 7 4.607 28.508 14.746 1.00 0.00 H +HETATM 5531 H2S POP D 7 3.354 28.226 13.446 1.00 0.00 H +HETATM 5532 H3R POP D 7 4.950 29.369 11.824 1.00 0.00 H +HETATM 5533 H3S POP D 7 6.096 29.725 13.198 1.00 0.00 H +HETATM 5534 H4R POP D 7 4.168 30.958 14.332 1.00 0.00 H +HETATM 5535 H4S POP D 7 3.235 30.916 12.737 1.00 0.00 H +HETATM 5536 H5R POP D 7 6.141 31.929 12.868 1.00 0.00 H +HETATM 5537 H5S POP D 7 4.866 32.864 13.562 1.00 0.00 H +HETATM 5538 H6R POP D 7 3.718 32.890 11.217 1.00 0.00 H +HETATM 5539 H6S POP D 7 5.130 31.886 10.710 1.00 0.00 H +HETATM 5540 H7R POP D 7 6.641 33.881 11.109 1.00 0.00 H +HETATM 5541 H7S POP D 7 5.127 34.846 11.705 1.00 0.00 H +HETATM 5542 H8R POP D 7 5.414 33.660 8.928 1.00 0.00 H +HETATM 5543 H8S POP D 7 6.061 35.272 9.393 1.00 0.00 H +HETATM 5544 H91 POP D 7 3.808 36.017 10.122 1.00 0.00 H +HETATM 5545 H101 POP D 7 1.813 35.082 9.232 1.00 0.00 H +HETATM 5546 H11R POP D 7 1.909 32.520 9.061 1.00 0.00 H +HETATM 5547 H11S POP D 7 3.448 32.591 8.271 1.00 0.00 H +HETATM 5548 H12R POP D 7 2.402 34.042 6.344 1.00 0.00 H +HETATM 5549 H12S POP D 7 0.947 33.921 7.227 1.00 0.00 H +HETATM 5550 H13R POP D 7 0.970 31.367 7.039 1.00 0.00 H +HETATM 5551 H13S POP D 7 2.385 31.314 6.118 1.00 0.00 H +HETATM 5552 H14R POP D 7 0.961 32.838 4.345 1.00 0.00 H +HETATM 5553 H14S POP D 7 -0.413 32.467 5.294 1.00 0.00 H +HETATM 5554 H15R POP D 7 -0.316 30.167 5.017 1.00 0.00 H +HETATM 5555 H15S POP D 7 1.352 30.192 4.345 1.00 0.00 H +HETATM 5556 H16R POP D 7 -0.007 29.750 2.377 1.00 0.00 H +HETATM 5557 H16S POP D 7 0.390 31.540 2.188 1.00 0.00 H +HETATM 5558 HX POP D 7 3.661 24.122 15.280 1.00 0.00 H +HETATM 5559 HY POP D 7 4.954 22.870 14.963 1.00 0.00 H +HETATM 5560 H2X POP D 7 2.526 20.768 12.683 1.00 0.00 H +HETATM 5561 H2Y POP D 7 2.463 22.154 11.506 1.00 0.00 H +HETATM 5562 H3X POP D 7 0.030 22.548 12.124 1.00 0.00 H +HETATM 5563 H3Y POP D 7 0.066 21.259 13.324 1.00 0.00 H +HETATM 5564 H4X POP D 7 -0.887 20.189 11.330 1.00 0.00 H +HETATM 5565 H4Y POP D 7 0.725 19.460 11.636 1.00 0.00 H +HETATM 5566 H5X POP D 7 1.775 20.990 9.960 1.00 0.00 H +HETATM 5567 H5Y POP D 7 0.161 21.838 9.764 1.00 0.00 H +HETATM 5568 H6X POP D 7 0.488 20.466 7.821 1.00 0.00 H +HETATM 5569 H6Y POP D 7 -0.700 19.620 8.803 1.00 0.00 H +HETATM 5570 H7X POP D 7 1.016 17.888 9.723 1.00 0.00 H +HETATM 5571 H7Y POP D 7 2.225 18.932 8.965 1.00 0.00 H +HETATM 5572 H8X POP D 7 1.299 18.411 6.652 1.00 0.00 H +HETATM 5573 H8Y POP D 7 0.033 17.533 7.329 1.00 0.00 H +HETATM 5574 H9X POP D 7 1.347 15.830 8.291 1.00 0.00 H +HETATM 5575 H9Y POP D 7 2.912 16.785 7.952 1.00 0.00 H +HETATM 5576 H10X POP D 7 0.949 15.435 5.805 1.00 0.00 H +HETATM 5577 H10Y POP D 7 2.552 14.930 6.400 1.00 0.00 H +HETATM 5578 H11X POP D 7 3.578 17.062 5.417 1.00 0.00 H +HETATM 5579 H11Y POP D 7 1.948 17.560 4.979 1.00 0.00 H +HETATM 5580 H12X POP D 7 1.752 15.463 3.633 1.00 0.00 H +HETATM 5581 H12Y POP D 7 3.414 14.898 4.174 1.00 0.00 H +HETATM 5582 H13X POP D 7 3.694 15.901 1.944 1.00 0.00 H +HETATM 5583 H13Y POP D 7 4.404 16.990 3.115 1.00 0.00 H +HETATM 5584 H14X POP D 7 2.150 18.332 3.093 1.00 0.00 H +HETATM 5585 H14Y POP D 7 1.716 17.248 1.822 1.00 0.00 H +HETATM 5586 H15X POP D 7 3.608 17.933 0.500 1.00 0.00 H +HETATM 5587 H15Y POP D 7 4.158 19.042 1.891 1.00 0.00 H +HETATM 5588 H16X POP D 7 2.688 20.310 0.133 1.00 0.00 H +HETATM 5589 H16Y POP D 7 1.961 20.342 1.822 1.00 0.00 H +HETATM 5590 H16Z POP D 7 1.412 19.161 0.642 1.00 0.00 H +HETATM 5591 H17R POP D 7 -1.844 32.197 3.047 1.00 0.00 H +HETATM 5592 H17S POP D 7 -2.087 30.447 3.324 1.00 0.00 H +HETATM 5593 H18R POP D 7 -1.409 31.737 0.580 1.00 0.00 H +HETATM 5594 H18S POP D 7 -3.079 31.436 1.031 1.00 0.00 H +HETATM 5595 H18T POP D 7 -2.028 30.053 0.920 1.00 0.00 H +HETATM 5596 C11 POP D 8 19.070 -13.046 23.219 1.00 0.00 C +HETATM 5597 C14 POP D 8 20.253 -10.972 22.829 1.00 0.00 C +HETATM 5598 C13 POP D 8 20.262 -12.772 21.155 1.00 0.00 C +HETATM 5599 N POP D 8 19.383 -12.081 22.128 1.00 0.00 N +HETATM 5600 C15 POP D 8 18.161 -11.445 21.525 1.00 0.00 C +HETATM 5601 C12 POP D 8 17.074 -12.482 21.016 1.00 0.00 C +HETATM 5602 O1 POP D 8 16.375 -12.995 22.136 1.00 0.00 O +HETATM 5603 P1 POP D 8 14.856 -12.636 22.554 1.00 0.00 P +HETATM 5604 O4 POP D 8 14.427 -13.417 23.752 1.00 0.00 O +HETATM 5605 O3 POP D 8 14.734 -11.190 22.756 1.00 0.00 O +HETATM 5606 O2 POP D 8 14.026 -13.066 21.277 1.00 0.00 O +HETATM 5607 C1 POP D 8 13.889 -14.405 21.032 1.00 0.00 C +HETATM 5608 C2 POP D 8 13.972 -14.736 19.498 1.00 0.00 C +HETATM 5609 O21 POP D 8 12.749 -14.360 18.812 1.00 0.00 O +HETATM 5610 C21 POP D 8 12.584 -13.166 18.213 1.00 0.00 C +HETATM 5611 O22 POP D 8 13.422 -12.298 18.237 1.00 0.00 O +HETATM 5612 C22 POP D 8 11.201 -13.068 17.414 1.00 0.00 C +HETATM 5613 C23 POP D 8 11.007 -14.311 16.531 1.00 0.00 C +HETATM 5614 C24 POP D 8 11.923 -14.468 15.290 1.00 0.00 C +HETATM 5615 C25 POP D 8 11.677 -15.749 14.435 1.00 0.00 C +HETATM 5616 C26 POP D 8 10.211 -15.849 13.909 1.00 0.00 C +HETATM 5617 C27 POP D 8 9.880 -14.752 12.987 1.00 0.00 C +HETATM 5618 C28 POP D 8 8.880 -15.110 11.897 1.00 0.00 C +HETATM 5619 C29 POP D 8 8.465 -13.882 11.162 1.00 0.00 C +HETATM 5620 C210 POP D 8 8.604 -13.517 9.852 1.00 0.00 C +HETATM 5621 C211 POP D 8 8.889 -14.444 8.676 1.00 0.00 C +HETATM 5622 C212 POP D 8 9.341 -13.647 7.416 1.00 0.00 C +HETATM 5623 C213 POP D 8 10.118 -14.560 6.396 1.00 0.00 C +HETATM 5624 C214 POP D 8 9.458 -15.865 5.938 1.00 0.00 C +HETATM 5625 C215 POP D 8 10.252 -16.834 5.050 1.00 0.00 C +HETATM 5626 C216 POP D 8 11.648 -17.317 5.542 1.00 0.00 C +HETATM 5627 C3 POP D 8 14.213 -16.271 19.165 1.00 0.00 C +HETATM 5628 O31 POP D 8 14.567 -16.429 17.758 1.00 0.00 O +HETATM 5629 C31 POP D 8 13.853 -17.231 17.135 1.00 0.00 C +HETATM 5630 O32 POP D 8 12.778 -17.686 17.379 1.00 0.00 O +HETATM 5631 C32 POP D 8 14.458 -17.424 15.666 1.00 0.00 C +HETATM 5632 C33 POP D 8 13.806 -18.662 15.085 1.00 0.00 C +HETATM 5633 C34 POP D 8 14.409 -19.162 13.792 1.00 0.00 C +HETATM 5634 C35 POP D 8 13.928 -20.510 13.217 1.00 0.00 C +HETATM 5635 C36 POP D 8 14.111 -20.645 11.684 1.00 0.00 C +HETATM 5636 C37 POP D 8 13.924 -22.124 11.317 1.00 0.00 C +HETATM 5637 C38 POP D 8 13.837 -22.510 9.844 1.00 0.00 C +HETATM 5638 C39 POP D 8 12.648 -21.726 9.164 1.00 0.00 C +HETATM 5639 C310 POP D 8 12.609 -22.047 7.672 1.00 0.00 C +HETATM 5640 C311 POP D 8 13.784 -21.486 6.795 1.00 0.00 C +HETATM 5641 C312 POP D 8 13.902 -22.368 5.615 1.00 0.00 C +HETATM 5642 C313 POP D 8 14.977 -21.994 4.557 1.00 0.00 C +HETATM 5643 C314 POP D 8 15.446 -23.181 3.737 1.00 0.00 C +HETATM 5644 C315 POP D 8 16.225 -22.786 2.418 1.00 0.00 C +HETATM 5645 C316 POP D 8 16.956 -24.105 1.850 1.00 0.00 C +HETATM 5646 C217 POP D 8 11.452 -18.011 6.893 1.00 0.00 C +HETATM 5647 C218 POP D 8 10.362 -19.110 6.898 1.00 0.00 C +HETATM 5648 H21 POP D 8 19.954 -13.490 23.653 1.00 0.00 H +HETATM 5649 H22 POP D 8 18.433 -13.802 22.787 1.00 0.00 H +HETATM 5650 H23 POP D 8 18.526 -12.613 24.045 1.00 0.00 H +HETATM 5651 H41 POP D 8 19.728 -10.434 23.604 1.00 0.00 H +HETATM 5652 H42 POP D 8 21.129 -11.478 23.208 1.00 0.00 H +HETATM 5653 H43 POP D 8 20.468 -10.416 21.928 1.00 0.00 H +HETATM 5654 H31 POP D 8 21.159 -13.118 21.647 1.00 0.00 H +HETATM 5655 H32 POP D 8 19.698 -13.552 20.666 1.00 0.00 H +HETATM 5656 H33 POP D 8 20.624 -11.998 20.494 1.00 0.00 H +HETATM 5657 H11 POP D 8 17.667 -10.833 22.265 1.00 0.00 H +HETATM 5658 H12 POP D 8 18.358 -10.796 20.684 1.00 0.00 H +HETATM 5659 H52 POP D 8 17.626 -13.203 20.375 1.00 0.00 H +HETATM 5660 H51 POP D 8 16.408 -11.915 20.331 1.00 0.00 H +HETATM 5661 HA POP D 8 12.964 -14.852 21.456 1.00 0.00 H +HETATM 5662 HB POP D 8 14.762 -14.946 21.456 1.00 0.00 H +HETATM 5663 HS POP D 8 14.777 -14.154 19.001 1.00 0.00 H +HETATM 5664 H2R POP D 8 11.378 -12.168 16.788 1.00 0.00 H +HETATM 5665 H2S POP D 8 10.336 -12.881 18.086 1.00 0.00 H +HETATM 5666 H3R POP D 8 9.928 -14.353 16.270 1.00 0.00 H +HETATM 5667 H3S POP D 8 11.146 -15.243 17.121 1.00 0.00 H +HETATM 5668 H4R POP D 8 12.941 -14.365 15.724 1.00 0.00 H +HETATM 5669 H4S POP D 8 11.790 -13.586 14.627 1.00 0.00 H +HETATM 5670 H5R POP D 8 11.878 -16.681 15.004 1.00 0.00 H +HETATM 5671 H5S POP D 8 12.415 -15.592 13.620 1.00 0.00 H +HETATM 5672 H6R POP D 8 9.411 -15.915 14.677 1.00 0.00 H +HETATM 5673 H6S POP D 8 10.206 -16.749 13.257 1.00 0.00 H +HETATM 5674 H7R POP D 8 10.829 -14.370 12.553 1.00 0.00 H +HETATM 5675 H7S POP D 8 9.514 -13.829 13.486 1.00 0.00 H +HETATM 5676 H8R POP D 8 8.085 -15.604 12.496 1.00 0.00 H +HETATM 5677 H8S POP D 8 9.302 -15.820 11.155 1.00 0.00 H +HETATM 5678 H91 POP D 8 8.147 -13.127 11.896 1.00 0.00 H +HETATM 5679 H101 POP D 8 8.119 -12.558 9.620 1.00 0.00 H +HETATM 5680 H11R POP D 8 7.974 -15.054 8.521 1.00 0.00 H +HETATM 5681 H11S POP D 8 9.666 -15.197 8.928 1.00 0.00 H +HETATM 5682 H12R POP D 8 10.074 -12.865 7.709 1.00 0.00 H +HETATM 5683 H12S POP D 8 8.480 -13.111 6.960 1.00 0.00 H +HETATM 5684 H13R POP D 8 11.082 -14.813 6.886 1.00 0.00 H +HETATM 5685 H13S POP D 8 10.226 -13.988 5.450 1.00 0.00 H +HETATM 5686 H14R POP D 8 8.477 -15.708 5.442 1.00 0.00 H +HETATM 5687 H14S POP D 8 9.273 -16.426 6.880 1.00 0.00 H +HETATM 5688 H15R POP D 8 10.394 -16.239 4.122 1.00 0.00 H +HETATM 5689 H15S POP D 8 9.655 -17.744 4.826 1.00 0.00 H +HETATM 5690 H16R POP D 8 12.363 -16.466 5.546 1.00 0.00 H +HETATM 5691 H16S POP D 8 11.957 -18.083 4.800 1.00 0.00 H +HETATM 5692 HX POP D 8 13.331 -16.903 19.404 1.00 0.00 H +HETATM 5693 HY POP D 8 15.097 -16.613 19.745 1.00 0.00 H +HETATM 5694 H2X POP D 8 15.546 -17.639 15.732 1.00 0.00 H +HETATM 5695 H2Y POP D 8 14.247 -16.482 15.115 1.00 0.00 H +HETATM 5696 H3X POP D 8 12.720 -18.475 14.943 1.00 0.00 H +HETATM 5697 H3Y POP D 8 14.009 -19.379 15.909 1.00 0.00 H +HETATM 5698 H4X POP D 8 15.511 -19.205 13.922 1.00 0.00 H +HETATM 5699 H4Y POP D 8 14.366 -18.398 12.987 1.00 0.00 H +HETATM 5700 H5X POP D 8 12.860 -20.696 13.464 1.00 0.00 H +HETATM 5701 H5Y POP D 8 14.456 -21.318 13.769 1.00 0.00 H +HETATM 5702 H6X POP D 8 15.103 -20.295 11.327 1.00 0.00 H +HETATM 5703 H6Y POP D 8 13.391 -19.953 11.198 1.00 0.00 H +HETATM 5704 H7X POP D 8 12.990 -22.528 11.762 1.00 0.00 H +HETATM 5705 H7Y POP D 8 14.786 -22.677 11.747 1.00 0.00 H +HETATM 5706 H8X POP D 8 13.587 -23.587 9.730 1.00 0.00 H +HETATM 5707 H8Y POP D 8 14.813 -22.320 9.349 1.00 0.00 H +HETATM 5708 H9X POP D 8 12.699 -20.619 9.238 1.00 0.00 H +HETATM 5709 H9Y POP D 8 11.716 -22.055 9.672 1.00 0.00 H +HETATM 5710 H10X POP D 8 11.720 -21.686 7.112 1.00 0.00 H +HETATM 5711 H10Y POP D 8 12.711 -23.144 7.531 1.00 0.00 H +HETATM 5712 H11X POP D 8 14.766 -21.533 7.312 1.00 0.00 H +HETATM 5713 H11Y POP D 8 13.570 -20.439 6.492 1.00 0.00 H +HETATM 5714 H12X POP D 8 12.931 -22.391 5.076 1.00 0.00 H +HETATM 5715 H12Y POP D 8 14.116 -23.420 5.900 1.00 0.00 H +HETATM 5716 H13X POP D 8 15.901 -21.545 4.979 1.00 0.00 H +HETATM 5717 H13Y POP D 8 14.562 -21.165 3.945 1.00 0.00 H +HETATM 5718 H14X POP D 8 14.616 -23.835 3.394 1.00 0.00 H +HETATM 5719 H14Y POP D 8 15.952 -23.900 4.416 1.00 0.00 H +HETATM 5720 H15X POP D 8 16.914 -21.990 2.775 1.00 0.00 H +HETATM 5721 H15Y POP D 8 15.490 -22.458 1.653 1.00 0.00 H +HETATM 5722 H16X POP D 8 17.704 -24.384 2.623 1.00 0.00 H +HETATM 5723 H16Y POP D 8 17.494 -23.879 0.905 1.00 0.00 H +HETATM 5724 H16Z POP D 8 16.231 -24.908 1.599 1.00 0.00 H +HETATM 5725 H17R POP D 8 11.016 -17.308 7.634 1.00 0.00 H +HETATM 5726 H17S POP D 8 12.414 -18.241 7.399 1.00 0.00 H +HETATM 5727 H18R POP D 8 10.648 -20.052 6.382 1.00 0.00 H +HETATM 5728 H18S POP D 8 9.395 -18.713 6.521 1.00 0.00 H +HETATM 5729 H18T POP D 8 10.010 -19.437 7.900 1.00 0.00 H +HETATM 5730 C11 POP D 9 13.941 -8.766 17.835 1.00 0.00 C +HETATM 5731 C14 POP D 9 12.684 -7.863 19.646 1.00 0.00 C +HETATM 5732 C13 POP D 9 14.233 -9.745 19.951 1.00 0.00 C +HETATM 5733 N POP D 9 14.001 -8.416 19.275 1.00 0.00 N +HETATM 5734 C15 POP D 9 15.185 -7.503 19.625 1.00 0.00 C +HETATM 5735 C12 POP D 9 15.155 -6.125 18.924 1.00 0.00 C +HETATM 5736 O1 POP D 9 15.723 -6.342 17.567 1.00 0.00 O +HETATM 5737 P1 POP D 9 17.314 -6.405 17.537 1.00 0.00 P +HETATM 5738 O4 POP D 9 17.846 -5.095 17.915 1.00 0.00 O +HETATM 5739 O3 POP D 9 17.750 -7.674 18.203 1.00 0.00 O +HETATM 5740 O2 POP D 9 17.684 -6.583 16.029 1.00 0.00 O +HETATM 5741 C1 POP D 9 16.990 -5.822 15.044 1.00 0.00 C +HETATM 5742 C2 POP D 9 17.874 -5.417 13.857 1.00 0.00 C +HETATM 5743 O21 POP D 9 18.135 -6.569 12.975 1.00 0.00 O +HETATM 5744 C21 POP D 9 17.035 -6.815 12.230 1.00 0.00 C +HETATM 5745 O22 POP D 9 15.923 -6.346 12.360 1.00 0.00 O +HETATM 5746 C22 POP D 9 17.408 -7.846 11.161 1.00 0.00 C +HETATM 5747 C23 POP D 9 16.425 -7.870 9.987 1.00 0.00 C +HETATM 5748 C24 POP D 9 16.528 -9.122 9.122 1.00 0.00 C +HETATM 5749 C25 POP D 9 15.469 -8.972 8.018 1.00 0.00 C +HETATM 5750 C26 POP D 9 15.506 -10.087 6.907 1.00 0.00 C +HETATM 5751 C27 POP D 9 15.040 -11.438 7.431 1.00 0.00 C +HETATM 5752 C28 POP D 9 14.760 -12.334 6.216 1.00 0.00 C +HETATM 5753 C29 POP D 9 15.988 -12.850 5.550 1.00 0.00 C +HETATM 5754 C210 POP D 9 16.575 -12.483 4.407 1.00 0.00 C +HETATM 5755 C211 POP D 9 16.117 -11.501 3.373 1.00 0.00 C +HETATM 5756 C212 POP D 9 15.928 -11.938 1.949 1.00 0.00 C +HETATM 5757 C213 POP D 9 15.174 -13.271 1.846 1.00 0.00 C +HETATM 5758 C214 POP D 9 13.709 -13.208 2.317 1.00 0.00 C +HETATM 5759 C215 POP D 9 12.822 -14.431 2.057 1.00 0.00 C +HETATM 5760 C216 POP D 9 12.972 -15.100 0.666 1.00 0.00 C +HETATM 5761 C3 POP D 9 19.173 -4.780 14.337 1.00 0.00 C +HETATM 5762 O31 POP D 9 20.014 -4.453 13.181 1.00 0.00 O +HETATM 5763 C31 POP D 9 21.009 -5.286 12.900 1.00 0.00 C +HETATM 5764 O32 POP D 9 21.337 -6.304 13.493 1.00 0.00 O +HETATM 5765 C32 POP D 9 21.711 -4.798 11.708 1.00 0.00 C +HETATM 5766 C33 POP D 9 22.681 -5.927 11.148 1.00 0.00 C +HETATM 5767 C34 POP D 9 22.071 -7.171 10.491 1.00 0.00 C +HETATM 5768 C35 POP D 9 21.621 -6.937 9.028 1.00 0.00 C +HETATM 5769 C36 POP D 9 21.049 -8.157 8.358 1.00 0.00 C +HETATM 5770 C37 POP D 9 20.766 -8.007 6.865 1.00 0.00 C +HETATM 5771 C38 POP D 9 19.590 -7.122 6.475 1.00 0.00 C +HETATM 5772 C39 POP D 9 19.721 -6.586 5.057 1.00 0.00 C +HETATM 5773 C310 POP D 9 18.336 -5.951 4.620 1.00 0.00 C +HETATM 5774 C311 POP D 9 17.048 -6.820 4.816 1.00 0.00 C +HETATM 5775 C312 POP D 9 15.826 -6.482 4.016 1.00 0.00 C +HETATM 5776 C313 POP D 9 14.736 -7.541 3.960 1.00 0.00 C +HETATM 5777 C314 POP D 9 13.557 -7.114 3.081 1.00 0.00 C +HETATM 5778 C315 POP D 9 12.503 -8.205 3.165 1.00 0.00 C +HETATM 5779 C316 POP D 9 11.121 -7.999 2.465 1.00 0.00 C +HETATM 5780 C217 POP D 9 12.640 -14.201 -0.479 1.00 0.00 C +HETATM 5781 C218 POP D 9 12.957 -14.882 -1.795 1.00 0.00 C +HETATM 5782 H21 POP D 9 13.935 -7.826 17.302 1.00 0.00 H +HETATM 5783 H22 POP D 9 13.026 -9.283 17.587 1.00 0.00 H +HETATM 5784 H23 POP D 9 14.773 -9.364 17.494 1.00 0.00 H +HETATM 5785 H41 POP D 9 12.277 -7.195 18.901 1.00 0.00 H +HETATM 5786 H42 POP D 9 11.928 -8.621 19.788 1.00 0.00 H +HETATM 5787 H43 POP D 9 12.730 -7.303 20.568 1.00 0.00 H +HETATM 5788 H31 POP D 9 13.430 -10.460 19.848 1.00 0.00 H +HETATM 5789 H32 POP D 9 15.178 -10.118 19.585 1.00 0.00 H +HETATM 5790 H33 POP D 9 14.265 -9.604 21.021 1.00 0.00 H +HETATM 5791 H11 POP D 9 15.118 -7.228 20.667 1.00 0.00 H +HETATM 5792 H12 POP D 9 16.110 -7.960 19.306 1.00 0.00 H +HETATM 5793 H52 POP D 9 15.744 -5.580 19.692 1.00 0.00 H +HETATM 5794 H51 POP D 9 14.149 -5.659 18.852 1.00 0.00 H +HETATM 5795 HA POP D 9 16.571 -4.901 15.503 1.00 0.00 H +HETATM 5796 HB POP D 9 16.250 -6.587 14.727 1.00 0.00 H +HETATM 5797 HS POP D 9 17.411 -4.619 13.238 1.00 0.00 H +HETATM 5798 H2R POP D 9 17.354 -8.803 11.724 1.00 0.00 H +HETATM 5799 H2S POP D 9 18.454 -7.758 10.797 1.00 0.00 H +HETATM 5800 H3R POP D 9 16.519 -6.970 9.342 1.00 0.00 H +HETATM 5801 H3S POP D 9 15.440 -7.825 10.499 1.00 0.00 H +HETATM 5802 H4R POP D 9 16.397 -10.041 9.732 1.00 0.00 H +HETATM 5803 H4S POP D 9 17.500 -9.150 8.584 1.00 0.00 H +HETATM 5804 H5R POP D 9 15.460 -7.938 7.611 1.00 0.00 H 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5822 H15R POP D 9 11.792 -14.043 2.208 1.00 0.00 H +HETATM 5823 H15S POP D 9 13.103 -15.186 2.822 1.00 0.00 H +HETATM 5824 H16R POP D 9 12.359 -16.023 0.579 1.00 0.00 H +HETATM 5825 H16S POP D 9 13.993 -15.520 0.543 1.00 0.00 H +HETATM 5826 HX POP D 9 19.670 -5.530 14.989 1.00 0.00 H +HETATM 5827 HY POP D 9 19.098 -3.859 14.953 1.00 0.00 H +HETATM 5828 H2X POP D 9 22.163 -3.821 11.984 1.00 0.00 H +HETATM 5829 H2Y POP D 9 21.015 -4.609 10.863 1.00 0.00 H +HETATM 5830 H3X POP D 9 23.428 -6.221 11.916 1.00 0.00 H +HETATM 5831 H3Y POP D 9 23.236 -5.428 10.325 1.00 0.00 H +HETATM 5832 H4X POP D 9 21.172 -7.421 11.095 1.00 0.00 H +HETATM 5833 H4Y POP D 9 22.723 -8.070 10.521 1.00 0.00 H +HETATM 5834 H5X POP D 9 22.440 -6.445 8.460 1.00 0.00 H +HETATM 5835 H5Y POP D 9 20.800 -6.197 9.138 1.00 0.00 H +HETATM 5836 H6X POP D 9 20.066 -8.289 8.859 1.00 0.00 H +HETATM 5837 H6Y POP D 9 21.680 -9.045 8.577 1.00 0.00 H +HETATM 5838 H7X POP D 9 20.697 -8.921 6.238 1.00 0.00 H +HETATM 5839 H7Y POP D 9 21.702 -7.650 6.385 1.00 0.00 H +HETATM 5840 H8X POP D 9 19.536 -6.263 7.178 1.00 0.00 H +HETATM 5841 H8Y POP D 9 18.637 -7.648 6.695 1.00 0.00 H +HETATM 5842 H9X POP D 9 19.957 -7.401 4.340 1.00 0.00 H +HETATM 5843 H9Y POP D 9 20.547 -5.845 5.010 1.00 0.00 H +HETATM 5844 H10X POP D 9 18.431 -5.675 3.548 1.00 0.00 H +HETATM 5845 H10Y POP D 9 18.148 -5.047 5.237 1.00 0.00 H +HETATM 5846 H11X POP D 9 16.652 -6.848 5.853 1.00 0.00 H +HETATM 5847 H11Y POP D 9 17.281 -7.886 4.606 1.00 0.00 H +HETATM 5848 H12X POP D 9 16.204 -6.210 3.007 1.00 0.00 H +HETATM 5849 H12Y POP D 9 15.420 -5.484 4.288 1.00 0.00 H +HETATM 5850 H13X POP D 9 14.425 -7.765 5.003 1.00 0.00 H +HETATM 5851 H13Y POP D 9 15.155 -8.488 3.560 1.00 0.00 H +HETATM 5852 H14X POP D 9 13.851 -6.950 2.022 1.00 0.00 H +HETATM 5853 H14Y POP D 9 13.130 -6.222 3.589 1.00 0.00 H +HETATM 5854 H15X POP D 9 12.321 -8.299 4.257 1.00 0.00 H +HETATM 5855 H15Y POP D 9 12.894 -9.156 2.745 1.00 0.00 H +HETATM 5856 H16X POP D 9 11.328 -7.643 1.433 1.00 0.00 H +HETATM 5857 H16Y POP D 9 10.501 -7.205 2.931 1.00 0.00 H +HETATM 5858 H16Z POP D 9 10.561 -8.959 2.440 1.00 0.00 H +HETATM 5859 H17R POP D 9 13.264 -13.295 -0.327 1.00 0.00 H +HETATM 5860 H17S POP D 9 11.556 -13.967 -0.413 1.00 0.00 H +HETATM 5861 H18R POP D 9 14.005 -15.249 -1.819 1.00 0.00 H +HETATM 5862 H18S POP D 9 12.959 -14.032 -2.512 1.00 0.00 H +HETATM 5863 H18T POP D 9 12.237 -15.653 -2.142 1.00 0.00 H +HETATM 5864 C11 POP D 10 -23.371 -14.118 20.746 1.00 0.00 C +HETATM 5865 C14 POP D 10 -22.020 -13.472 22.475 1.00 0.00 C +HETATM 5866 C13 POP D 10 -21.789 -15.711 21.661 1.00 0.00 C +HETATM 5867 N POP D 10 -22.018 -14.286 21.221 1.00 0.00 N +HETATM 5868 C15 POP D 10 -20.919 -13.935 20.205 1.00 0.00 C +HETATM 5869 C12 POP D 10 -20.814 -14.894 18.931 1.00 0.00 C +HETATM 5870 O1 POP D 10 -20.477 -16.239 19.210 1.00 0.00 O +HETATM 5871 P1 POP D 10 -18.882 -16.584 19.342 1.00 0.00 P +HETATM 5872 O4 POP D 10 -18.253 -15.491 20.145 1.00 0.00 O +HETATM 5873 O3 POP D 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0.00 H +HETATM 5923 H32 POP D 10 -21.800 -16.319 20.769 1.00 0.00 H +HETATM 5924 H33 POP D 10 -20.741 -15.844 21.886 1.00 0.00 H +HETATM 5925 H11 POP D 10 -21.100 -12.910 19.917 1.00 0.00 H +HETATM 5926 H12 POP D 10 -19.995 -14.097 20.740 1.00 0.00 H +HETATM 5927 H52 POP D 10 -20.243 -14.355 18.145 1.00 0.00 H +HETATM 5928 H51 POP D 10 -21.776 -14.931 18.377 1.00 0.00 H +HETATM 5929 HA POP D 10 -19.469 -15.590 16.366 1.00 0.00 H +HETATM 5930 HB POP D 10 -19.717 -17.290 16.816 1.00 0.00 H +HETATM 5931 HS POP D 10 -17.528 -17.845 15.865 1.00 0.00 H +HETATM 5932 H2R POP D 10 -13.922 -15.264 16.391 1.00 0.00 H +HETATM 5933 H2S POP D 10 -15.384 -14.183 16.554 1.00 0.00 H +HETATM 5934 H3R POP D 10 -13.869 -13.451 14.528 1.00 0.00 H +HETATM 5935 H3S POP D 10 -15.466 -14.304 13.893 1.00 0.00 H +HETATM 5936 H4R POP D 10 -14.213 -16.327 13.702 1.00 0.00 H +HETATM 5937 H4S POP D 10 -12.687 -15.615 14.242 1.00 0.00 H +HETATM 5938 H5R POP D 10 -14.384 -14.705 11.788 1.00 0.00 H +HETATM 5939 H5S POP 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0.00 H +HETATM 5989 H15Y POP D 10 -13.666 -9.217 3.692 1.00 0.00 H +HETATM 5990 H16X POP D 10 -15.038 -9.723 1.834 1.00 0.00 H +HETATM 5991 H16Y POP D 10 -13.660 -9.606 0.641 1.00 0.00 H +HETATM 5992 H16Z POP D 10 -14.435 -8.118 1.431 1.00 0.00 H +HETATM 5993 H17R POP D 10 -6.482 -10.797 2.232 1.00 0.00 H +HETATM 5994 H17S POP D 10 -7.843 -11.074 1.169 1.00 0.00 H +HETATM 5995 H18R POP D 10 -6.016 -10.079 -0.166 1.00 0.00 H +HETATM 5996 H18S POP D 10 -6.542 -11.788 -0.731 1.00 0.00 H +HETATM 5997 H18T POP D 10 -5.009 -11.390 0.242 1.00 0.00 H +HETATM 5998 C11 POP D 11 -7.906 25.842 18.220 1.00 0.00 C +HETATM 5999 C14 POP D 11 -6.645 23.740 18.129 1.00 0.00 C +HETATM 6000 C13 POP D 11 -5.668 25.780 17.191 1.00 0.00 C +HETATM 6001 N POP D 11 -6.512 25.232 18.338 1.00 0.00 N +HETATM 6002 C15 POP D 11 -5.800 25.591 19.661 1.00 0.00 C +HETATM 6003 C12 POP D 11 -4.446 24.913 20.053 1.00 0.00 C +HETATM 6004 O1 POP D 11 -3.392 25.348 19.281 1.00 0.00 O +HETATM 6005 P1 POP D 11 -2.993 26.881 19.489 1.00 0.00 P +HETATM 6006 O4 POP D 11 -4.112 27.677 20.069 1.00 0.00 O +HETATM 6007 O3 POP D 11 -1.657 26.953 20.056 1.00 0.00 O +HETATM 6008 O2 POP D 11 -2.800 27.245 17.981 1.00 0.00 O +HETATM 6009 C1 POP D 11 -3.360 28.371 17.266 1.00 0.00 C +HETATM 6010 C2 POP D 11 -3.210 28.196 15.786 1.00 0.00 C +HETATM 6011 O21 POP D 11 -4.451 27.616 15.204 1.00 0.00 O +HETATM 6012 C21 POP D 11 -4.955 28.350 14.287 1.00 0.00 C +HETATM 6013 O22 POP D 11 -4.451 29.293 13.736 1.00 0.00 O +HETATM 6014 C22 POP D 11 -6.222 27.692 13.786 1.00 0.00 C +HETATM 6015 C23 POP D 11 -7.101 28.624 12.909 1.00 0.00 C +HETATM 6016 C24 POP D 11 -8.342 27.941 12.361 1.00 0.00 C +HETATM 6017 C25 POP D 11 -9.031 28.829 11.316 1.00 0.00 C +HETATM 6018 C26 POP D 11 -10.361 28.176 10.860 1.00 0.00 C +HETATM 6019 C27 POP D 11 -11.098 29.010 9.796 1.00 0.00 C +HETATM 6020 C28 POP D 11 -12.339 28.270 9.298 1.00 0.00 C +HETATM 6021 C29 POP D 11 -13.042 28.951 8.115 1.00 0.00 C +HETATM 6022 C210 POP D 11 -12.624 28.995 6.898 1.00 0.00 C +HETATM 6023 C211 POP D 11 -11.298 28.312 6.482 1.00 0.00 C +HETATM 6024 C212 POP D 11 -11.302 27.493 5.134 1.00 0.00 C +HETATM 6025 C213 POP D 11 -9.932 26.742 4.882 1.00 0.00 C +HETATM 6026 C214 POP D 11 -9.924 25.991 3.492 1.00 0.00 C +HETATM 6027 C215 POP D 11 -10.197 26.715 2.176 1.00 0.00 C +HETATM 6028 C216 POP D 11 -9.075 27.766 1.938 1.00 0.00 C +HETATM 6029 C3 POP D 11 -1.939 27.267 15.471 1.00 0.00 C +HETATM 6030 O31 POP D 11 -1.707 27.248 14.087 1.00 0.00 O +HETATM 6031 C31 POP D 11 -0.484 27.542 13.666 1.00 0.00 C +HETATM 6032 O32 POP D 11 0.471 27.760 14.370 1.00 0.00 O +HETATM 6033 C32 POP D 11 -0.576 27.620 12.181 1.00 0.00 C +HETATM 6034 C33 POP D 11 0.725 28.004 11.556 1.00 0.00 C +HETATM 6035 C34 POP D 11 1.704 26.796 11.552 1.00 0.00 C +HETATM 6036 C35 POP D 11 2.779 27.052 10.573 1.00 0.00 C +HETATM 6037 C36 POP D 11 3.612 25.824 10.255 1.00 0.00 C +HETATM 6038 C37 POP D 11 2.846 24.799 9.472 1.00 0.00 C +HETATM 6039 C38 POP D 11 3.719 23.636 9.128 1.00 0.00 C +HETATM 6040 C39 POP D 11 3.046 22.624 8.179 1.00 0.00 C +HETATM 6041 C310 POP D 11 3.695 22.584 6.777 1.00 0.00 C +HETATM 6042 C311 POP D 11 3.067 21.563 5.858 1.00 0.00 C +HETATM 6043 C312 POP D 11 1.612 21.833 5.435 1.00 0.00 C +HETATM 6044 C313 POP D 11 1.565 22.632 4.165 1.00 0.00 C +HETATM 6045 C314 POP D 11 0.270 22.280 3.473 1.00 0.00 C +HETATM 6046 C315 POP D 11 0.232 22.844 2.087 1.00 0.00 C +HETATM 6047 C316 POP D 11 -1.101 22.481 1.352 1.00 0.00 C +HETATM 6048 C217 POP D 11 -9.392 28.754 0.732 1.00 0.00 C +HETATM 6049 C218 POP D 11 -8.129 29.575 0.424 1.00 0.00 C +HETATM 6050 H21 POP D 11 -8.442 25.508 17.344 1.00 0.00 H +HETATM 6051 H22 POP D 11 -7.797 26.916 18.169 1.00 0.00 H +HETATM 6052 H23 POP D 11 -8.334 25.565 19.172 1.00 0.00 H +HETATM 6053 H41 POP D 11 -7.119 23.557 17.176 1.00 0.00 H +HETATM 6054 H42 POP D 11 -5.658 23.318 18.247 1.00 0.00 H +HETATM 6055 H43 POP D 11 -7.248 23.468 18.983 1.00 0.00 H +HETATM 6056 H31 POP D 11 -5.650 26.860 17.225 1.00 0.00 H +HETATM 6057 H32 POP D 11 -4.615 25.541 17.173 1.00 0.00 H +HETATM 6058 H33 POP D 11 -6.140 25.574 16.241 1.00 0.00 H +HETATM 6059 H11 POP D 11 -5.665 26.663 19.676 1.00 0.00 H +HETATM 6060 H12 POP D 11 -6.491 25.401 20.469 1.00 0.00 H +HETATM 6061 H52 POP D 11 -4.576 23.811 19.987 1.00 0.00 H +HETATM 6062 H51 POP D 11 -4.275 25.214 21.108 1.00 0.00 H +HETATM 6063 HA POP D 11 -2.880 29.339 17.525 1.00 0.00 H +HETATM 6064 HB POP D 11 -4.419 28.529 17.564 1.00 0.00 H +HETATM 6065 HS POP D 11 -3.040 29.215 15.376 1.00 0.00 H +HETATM 6066 H2R POP D 11 -6.803 27.401 14.687 1.00 0.00 H +HETATM 6067 H2S POP D 11 -5.909 26.810 13.187 1.00 0.00 H +HETATM 6068 H3R POP D 11 -6.598 29.035 12.008 1.00 0.00 H +HETATM 6069 H3S POP D 11 -7.431 29.437 13.591 1.00 0.00 H +HETATM 6070 H4R POP D 11 -9.037 27.681 13.188 1.00 0.00 H +HETATM 6071 H4S POP D 11 -8.049 27.017 11.819 1.00 0.00 H +HETATM 6072 H5R POP D 11 -8.380 29.215 10.502 1.00 0.00 H +HETATM 6073 H5S POP D 11 -9.361 29.796 11.752 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27.284 2.180 1.00 0.00 H +HETATM 6091 H15S POP D 11 -10.154 25.966 1.358 1.00 0.00 H +HETATM 6092 H16R POP D 11 -8.078 27.311 1.753 1.00 0.00 H +HETATM 6093 H16S POP D 11 -8.915 28.455 2.795 1.00 0.00 H +HETATM 6094 HX POP D 11 -2.292 26.270 15.812 1.00 0.00 H +HETATM 6095 HY POP D 11 -1.070 27.629 16.062 1.00 0.00 H +HETATM 6096 H2X POP D 11 -1.360 28.360 11.911 1.00 0.00 H +HETATM 6097 H2Y POP D 11 -1.101 26.725 11.783 1.00 0.00 H +HETATM 6098 H3X POP D 11 1.137 28.935 12.000 1.00 0.00 H +HETATM 6099 H3Y POP D 11 0.542 28.404 10.536 1.00 0.00 H +HETATM 6100 H4X POP D 11 1.167 25.892 11.192 1.00 0.00 H +HETATM 6101 H4Y POP D 11 2.191 26.707 12.546 1.00 0.00 H +HETATM 6102 H5X POP D 11 3.396 27.906 10.924 1.00 0.00 H +HETATM 6103 H5Y POP D 11 2.419 27.412 9.586 1.00 0.00 H +HETATM 6104 H6X POP D 11 3.856 25.380 11.244 1.00 0.00 H +HETATM 6105 H6Y POP D 11 4.596 25.973 9.762 1.00 0.00 H +HETATM 6106 H7X POP D 11 2.565 25.236 8.490 1.00 0.00 H +HETATM 6107 H7Y POP D 11 1.991 24.266 9.939 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1.00 0.00 H +HETATM 6193 H11 POP D 12 -22.024 2.321 19.761 1.00 0.00 H +HETATM 6194 H12 POP D 12 -22.991 3.711 19.429 1.00 0.00 H +HETATM 6195 H52 POP D 12 -23.960 1.375 18.477 1.00 0.00 H +HETATM 6196 H51 POP D 12 -22.574 1.323 17.468 1.00 0.00 H +HETATM 6197 HA POP D 12 -26.904 0.643 16.564 1.00 0.00 H +HETATM 6198 HB POP D 12 -25.200 0.739 16.624 1.00 0.00 H +HETATM 6199 HS POP D 12 -25.435 2.384 14.605 1.00 0.00 H +HETATM 6200 H2R POP D 12 -29.356 3.833 13.669 1.00 0.00 H +HETATM 6201 H2S POP D 12 -29.592 2.261 13.068 1.00 0.00 H +HETATM 6202 H3R POP D 12 -28.420 4.660 11.420 1.00 0.00 H +HETATM 6203 H3S POP D 12 -30.054 4.116 11.297 1.00 0.00 H +HETATM 6204 H4R POP D 12 -29.588 1.956 10.349 1.00 0.00 H +HETATM 6205 H4S POP D 12 -27.889 2.143 10.793 1.00 0.00 H +HETATM 6206 H5R POP D 12 -27.922 4.244 9.126 1.00 0.00 H +HETATM 6207 H5S POP D 12 -29.415 3.593 8.626 1.00 0.00 H +HETATM 6208 H6R POP D 12 -28.544 1.563 7.710 1.00 0.00 H +HETATM 6209 H6S POP D 12 -27.106 1.735 8.738 1.00 0.00 H +HETATM 6210 H7R POP D 12 -26.162 3.396 7.502 1.00 0.00 H +HETATM 6211 H7S POP D 12 -27.602 3.770 6.469 1.00 0.00 H +HETATM 6212 H8R POP D 12 -27.370 1.657 5.371 1.00 0.00 H +HETATM 6213 H8S POP D 12 -26.052 0.994 6.463 1.00 0.00 H +HETATM 6214 H91 POP D 12 -25.520 3.689 5.002 1.00 0.00 H +HETATM 6215 H101 POP D 12 -23.821 2.442 3.722 1.00 0.00 H +HETATM 6216 H11R POP D 12 -24.049 -0.005 3.472 1.00 0.00 H +HETATM 6217 H11S POP D 12 -25.069 -0.147 4.807 1.00 0.00 H +HETATM 6218 H12R POP D 12 -22.119 0.857 4.881 1.00 0.00 H +HETATM 6219 H12S POP D 12 -22.611 -0.886 4.704 1.00 0.00 H +HETATM 6220 H13R POP D 12 -23.803 0.382 7.149 1.00 0.00 H +HETATM 6221 H13S POP D 12 -22.060 0.724 7.155 1.00 0.00 H +HETATM 6222 H14R POP D 12 -21.533 -1.700 6.836 1.00 0.00 H +HETATM 6223 H14S POP D 12 -23.345 -2.073 7.103 1.00 0.00 H +HETATM 6224 H15R POP D 12 -22.984 -0.931 9.407 1.00 0.00 H +HETATM 6225 H15S POP D 12 -21.264 -0.690 8.843 1.00 0.00 H +HETATM 6226 H16R POP D 12 -21.044 -3.261 8.878 1.00 0.00 H +HETATM 6227 H16S POP D 12 -22.727 -3.431 9.281 1.00 0.00 H +HETATM 6228 HX POP D 12 -26.673 -0.479 14.088 1.00 0.00 H +HETATM 6229 HY POP D 12 -24.947 -0.207 14.272 1.00 0.00 H +HETATM 6230 H2X POP D 12 -25.554 2.626 10.738 1.00 0.00 H +HETATM 6231 H2Y POP D 12 -24.891 0.999 10.109 1.00 0.00 H +HETATM 6232 H3X POP D 12 -22.552 1.821 10.560 1.00 0.00 H +HETATM 6233 H3Y POP D 12 -23.252 3.450 10.779 1.00 0.00 H +HETATM 6234 H4X POP D 12 -24.318 3.803 8.849 1.00 0.00 H +HETATM 6235 H4Y POP D 12 -24.035 2.045 8.381 1.00 0.00 H +HETATM 6236 H5X POP D 12 -21.413 2.974 8.528 1.00 0.00 H +HETATM 6237 H5Y POP D 12 -22.255 4.533 8.793 1.00 0.00 H +HETATM 6238 H6X POP D 12 -23.516 3.887 6.539 1.00 0.00 H +HETATM 6239 H6Y POP D 12 -22.081 2.855 6.314 1.00 0.00 H +HETATM 6240 H7X POP D 12 -20.650 4.743 6.958 1.00 0.00 H +HETATM 6241 H7Y POP D 12 -21.964 5.837 6.572 1.00 0.00 H +HETATM 6242 H8X POP D 12 -20.797 3.776 4.612 1.00 0.00 H +HETATM 6243 H8Y POP D 12 -20.204 5.438 4.647 1.00 0.00 H +HETATM 6244 H9X POP D 12 -22.758 6.101 4.333 1.00 0.00 H +HETATM 6245 H9Y POP D 12 -23.120 4.330 4.158 1.00 0.00 H +HETATM 6246 H10X POP D 12 -21.850 4.312 2.095 1.00 0.00 H +HETATM 6247 H10Y POP D 12 -21.285 5.953 2.167 1.00 0.00 H +HETATM 6248 H11X POP D 12 -23.792 6.796 2.162 1.00 0.00 H +HETATM 6249 H11Y POP D 12 -24.097 5.088 1.581 1.00 0.00 H +HETATM 6250 H12X POP D 12 -22.366 7.292 0.386 1.00 0.00 H +HETATM 6251 H12Y POP D 12 -24.027 6.888 -0.120 1.00 0.00 H +HETATM 6252 H13X POP D 12 -23.596 4.942 -1.186 1.00 0.00 H +HETATM 6253 H13Y POP D 12 -22.054 4.714 -0.329 1.00 0.00 H +HETATM 6254 H14X POP D 12 -21.025 6.616 -1.324 1.00 0.00 H +HETATM 6255 H14Y POP D 12 -22.382 6.959 -2.383 1.00 0.00 H +HETATM 6256 H15X POP D 12 -22.234 4.649 -3.363 1.00 0.00 H +HETATM 6257 H15Y POP D 12 -20.639 4.397 -2.404 1.00 0.00 H +HETATM 6258 H16X POP D 12 -19.889 6.366 -3.866 1.00 0.00 H +HETATM 6259 H16Y POP D 12 -21.325 6.133 -4.800 1.00 0.00 H +HETATM 6260 H16Z POP D 12 -20.115 4.685 -4.671 1.00 0.00 H +HETATM 6261 H17R POP D 12 -22.756 -2.331 11.323 1.00 0.00 H +HETATM 6262 H17S POP D 12 -21.033 -1.753 11.058 1.00 0.00 H +HETATM 6263 H18R POP D 12 -21.233 -3.655 12.751 1.00 0.00 H +HETATM 6264 H18S POP D 12 -20.145 -4.063 11.445 1.00 0.00 H +HETATM 6265 H18T POP D 12 -21.820 -4.699 11.367 1.00 0.00 H +HETATM 6266 C11 POP D 13 23.407 19.127 17.859 1.00 0.00 C +HETATM 6267 C14 POP D 13 25.059 17.464 17.699 1.00 0.00 C +HETATM 6268 C13 POP D 13 22.954 17.084 16.667 1.00 0.00 C +HETATM 6269 N POP D 13 24.017 18.138 16.946 1.00 0.00 N +HETATM 6270 C15 POP D 13 24.587 18.759 15.636 1.00 0.00 C +HETATM 6271 C12 POP D 13 25.166 17.797 14.622 1.00 0.00 C +HETATM 6272 O1 POP D 13 26.257 17.015 15.089 1.00 0.00 O +HETATM 6273 P1 POP D 13 27.807 17.556 14.810 1.00 0.00 P +HETATM 6274 O4 POP D 13 27.776 19.056 14.808 1.00 0.00 O +HETATM 6275 O3 POP D 13 28.681 16.833 15.742 1.00 0.00 O +HETATM 6276 O2 POP D 13 27.899 16.977 13.362 1.00 0.00 O +HETATM 6277 C1 POP D 13 27.931 15.572 12.953 1.00 0.00 C +HETATM 6278 C2 POP D 13 26.987 15.393 11.724 1.00 0.00 C +HETATM 6279 O21 POP D 13 26.671 16.630 11.058 1.00 0.00 O +HETATM 6280 C21 POP D 13 27.664 17.319 10.594 1.00 0.00 C +HETATM 6281 O22 POP D 13 28.826 16.971 10.451 1.00 0.00 O +HETATM 6282 C22 POP D 13 27.272 18.794 10.316 1.00 0.00 C +HETATM 6283 C23 POP D 13 28.390 19.284 9.347 1.00 0.00 C +HETATM 6284 C24 POP D 13 27.965 20.703 8.841 1.00 0.00 C +HETATM 6285 C25 POP D 13 28.791 21.240 7.632 1.00 0.00 C +HETATM 6286 C26 POP D 13 28.522 22.789 7.417 1.00 0.00 C +HETATM 6287 C27 POP D 13 28.466 23.508 8.745 1.00 0.00 C +HETATM 6288 C28 POP D 13 28.577 25.068 8.807 1.00 0.00 C +HETATM 6289 C29 POP D 13 29.907 25.504 8.327 1.00 0.00 C +HETATM 6290 C210 POP D 13 30.171 26.364 7.272 1.00 0.00 C +HETATM 6291 C211 POP D 13 29.092 27.253 6.650 1.00 0.00 C +HETATM 6292 C212 POP D 13 29.335 27.412 5.155 1.00 0.00 C +HETATM 6293 C213 POP D 13 28.870 26.192 4.293 1.00 0.00 C +HETATM 6294 C214 POP D 13 27.447 25.688 4.499 1.00 0.00 C +HETATM 6295 C215 POP D 13 26.985 24.908 3.285 1.00 0.00 C +HETATM 6296 C216 POP D 13 25.612 24.233 3.391 1.00 0.00 C +HETATM 6297 C3 POP D 13 25.668 14.684 12.059 1.00 0.00 C +HETATM 6298 O31 POP D 13 25.032 14.115 10.880 1.00 0.00 O +HETATM 6299 C31 POP D 13 25.399 12.908 10.489 1.00 0.00 C +HETATM 6300 O32 POP D 13 26.141 12.088 11.023 1.00 0.00 O +HETATM 6301 C32 POP D 13 24.864 12.719 9.072 1.00 0.00 C +HETATM 6302 C33 POP D 13 24.065 11.459 8.896 1.00 0.00 C +HETATM 6303 C34 POP D 13 23.605 11.208 7.483 1.00 0.00 C +HETATM 6304 C35 POP D 13 24.535 11.354 6.300 1.00 0.00 C +HETATM 6305 C36 POP D 13 25.837 10.652 6.527 1.00 0.00 C +HETATM 6306 C37 POP D 13 26.865 10.694 5.411 1.00 0.00 C +HETATM 6307 C38 POP D 13 26.420 10.153 3.998 1.00 0.00 C +HETATM 6308 C39 POP D 13 27.645 10.098 2.974 1.00 0.00 C +HETATM 6309 C310 POP D 13 27.171 10.083 1.501 1.00 0.00 C +HETATM 6310 C311 POP D 13 27.986 9.222 0.618 1.00 0.00 C +HETATM 6311 C312 POP D 13 27.665 9.278 -0.836 1.00 0.00 C +HETATM 6312 C313 POP D 13 28.619 8.344 -1.632 1.00 0.00 C +HETATM 6313 C314 POP D 13 28.504 8.600 -3.088 1.00 0.00 C +HETATM 6314 C315 POP D 13 28.737 7.220 -3.719 1.00 0.00 C +HETATM 6315 C316 POP D 13 28.977 7.141 -5.266 1.00 0.00 C +HETATM 6316 C217 POP D 13 25.187 23.417 2.139 1.00 0.00 C +HETATM 6317 C218 POP D 13 23.940 22.594 2.426 1.00 0.00 C +HETATM 6318 H21 POP D 13 22.499 19.529 17.434 1.00 0.00 H +HETATM 6319 H22 POP D 13 23.983 20.032 17.988 1.00 0.00 H +HETATM 6320 H23 POP D 13 23.184 18.809 18.867 1.00 0.00 H +HETATM 6321 H41 POP D 13 25.724 16.839 17.122 1.00 0.00 H +HETATM 6322 H42 POP D 13 25.686 18.229 18.131 1.00 0.00 H +HETATM 6323 H43 POP D 13 24.782 16.857 18.549 1.00 0.00 H +HETATM 6324 H31 POP D 13 22.803 16.570 17.605 1.00 0.00 H +HETATM 6325 H32 POP D 13 21.998 17.499 16.384 1.00 0.00 H +HETATM 6326 H33 POP D 13 23.305 16.355 15.952 1.00 0.00 H +HETATM 6327 H11 POP D 13 23.800 19.289 15.119 1.00 0.00 H +HETATM 6328 H12 POP D 13 25.367 19.433 15.956 1.00 0.00 H +HETATM 6329 H52 POP D 13 25.547 18.333 13.726 1.00 0.00 H +HETATM 6330 H51 POP D 13 24.433 17.060 14.230 1.00 0.00 H +HETATM 6331 HA POP D 13 27.563 14.919 13.773 1.00 0.00 H +HETATM 6332 HB POP D 13 28.988 15.274 12.790 1.00 0.00 H +HETATM 6333 HS POP D 13 27.586 14.847 10.964 1.00 0.00 H +HETATM 6334 H2R POP D 13 27.207 19.443 11.216 1.00 0.00 H +HETATM 6335 H2S POP D 13 26.388 18.813 9.644 1.00 0.00 H +HETATM 6336 H3R POP D 13 28.461 18.632 8.449 1.00 0.00 H +HETATM 6337 H3S POP D 13 29.376 19.461 9.829 1.00 0.00 H +HETATM 6338 H4R POP D 13 28.181 21.353 9.716 1.00 0.00 H +HETATM 6339 H4S POP D 13 26.905 20.882 8.559 1.00 0.00 H +HETATM 6340 H5R POP D 13 28.691 20.621 6.715 1.00 0.00 H +HETATM 6341 H5S POP D 13 29.821 21.071 8.013 1.00 0.00 H +HETATM 6342 H6R POP D 13 27.526 22.952 6.952 1.00 0.00 H +HETATM 6343 H6S POP D 13 29.170 23.251 6.641 1.00 0.00 H +HETATM 6344 H7R POP D 13 29.348 23.130 9.305 1.00 0.00 H +HETATM 6345 H7S POP D 13 27.496 23.321 9.255 1.00 0.00 H +HETATM 6346 H8R POP D 13 28.527 25.584 9.790 1.00 0.00 H +HETATM 6347 H8S POP D 13 27.739 25.605 8.314 1.00 0.00 H +HETATM 6348 H91 POP D 13 30.744 24.957 8.785 1.00 0.00 H +HETATM 6349 H101 POP D 13 31.218 26.633 7.067 1.00 0.00 H +HETATM 6350 H11R POP D 13 29.312 28.240 7.110 1.00 0.00 H +HETATM 6351 H11S POP D 13 28.021 27.014 6.825 1.00 0.00 H +HETATM 6352 H12R POP D 13 30.432 27.476 4.992 1.00 0.00 H +HETATM 6353 H12S POP D 13 28.833 28.312 4.740 1.00 0.00 H +HETATM 6354 H13R POP D 13 29.550 25.325 4.434 1.00 0.00 H +HETATM 6355 H13S POP D 13 29.030 26.546 3.252 1.00 0.00 H +HETATM 6356 H14R POP D 13 26.796 26.551 4.757 1.00 0.00 H +HETATM 6357 H14S POP D 13 27.634 25.057 5.394 1.00 0.00 H +HETATM 6358 H15R POP D 13 27.818 24.310 2.856 1.00 0.00 H +HETATM 6359 H15S POP D 13 26.778 25.646 2.481 1.00 0.00 H +HETATM 6360 H16R POP D 13 24.856 25.039 3.497 1.00 0.00 H +HETATM 6361 H16S POP D 13 25.664 23.636 4.327 1.00 0.00 H +HETATM 6362 HX POP D 13 24.957 15.414 12.502 1.00 0.00 H +HETATM 6363 HY POP D 13 25.925 13.946 12.848 1.00 0.00 H +HETATM 6364 H2X POP D 13 25.672 12.857 8.322 1.00 0.00 H +HETATM 6365 H2Y POP D 13 24.194 13.583 8.880 1.00 0.00 H +HETATM 6366 H3X POP D 13 23.181 11.463 9.568 1.00 0.00 H +HETATM 6367 H3Y POP D 13 24.664 10.612 9.295 1.00 0.00 H +HETATM 6368 H4X POP D 13 22.775 11.878 7.170 1.00 0.00 H +HETATM 6369 H4Y POP D 13 23.159 10.194 7.391 1.00 0.00 H +HETATM 6370 H5X POP D 13 24.833 12.415 6.165 1.00 0.00 H +HETATM 6371 H5Y POP D 13 24.084 11.022 5.341 1.00 0.00 H +HETATM 6372 H6X POP D 13 25.727 9.590 6.834 1.00 0.00 H +HETATM 6373 H6Y POP D 13 26.360 11.076 7.410 1.00 0.00 H +HETATM 6374 H7X POP D 13 27.789 10.193 5.770 1.00 0.00 H +HETATM 6375 H7Y POP D 13 27.089 11.770 5.249 1.00 0.00 H +HETATM 6376 H8X POP D 13 25.561 10.780 3.676 1.00 0.00 H +HETATM 6377 H8Y POP D 13 26.094 9.096 4.101 1.00 0.00 H +HETATM 6378 H9X POP D 13 28.290 9.225 3.207 1.00 0.00 H +HETATM 6379 H9Y POP D 13 28.307 10.985 3.075 1.00 0.00 H +HETATM 6380 H10X POP D 13 27.235 11.097 1.051 1.00 0.00 H +HETATM 6381 H10Y POP D 13 26.123 9.715 1.507 1.00 0.00 H +HETATM 6382 H11X POP D 13 28.153 8.178 0.961 1.00 0.00 H +HETATM 6383 H11Y POP D 13 29.002 9.642 0.778 1.00 0.00 H +HETATM 6384 H12X POP D 13 27.663 10.363 -1.072 1.00 0.00 H +HETATM 6385 H12Y POP D 13 26.638 8.868 -0.946 1.00 0.00 H +HETATM 6386 H13X POP D 13 28.330 7.304 -1.371 1.00 0.00 H +HETATM 6387 H13Y POP D 13 29.674 8.371 -1.286 1.00 0.00 H +HETATM 6388 H14X POP D 13 29.256 9.374 -3.352 1.00 0.00 H +HETATM 6389 H14Y POP D 13 27.558 9.130 -3.332 1.00 0.00 H +HETATM 6390 H15X POP D 13 27.771 6.680 -3.630 1.00 0.00 H +HETATM 6391 H15Y POP D 13 29.476 6.610 -3.156 1.00 0.00 H +HETATM 6392 H16X POP D 13 29.228 6.092 -5.532 1.00 0.00 H +HETATM 6393 H16Y POP D 13 29.810 7.850 -5.463 1.00 0.00 H +HETATM 6394 H16Z POP D 13 28.107 7.537 -5.832 1.00 0.00 H +HETATM 6395 H17R POP D 13 26.128 22.863 1.932 1.00 0.00 H +HETATM 6396 H17S POP D 13 24.912 24.063 1.278 1.00 0.00 H +HETATM 6397 H18R POP D 13 23.065 23.276 2.361 1.00 0.00 H +HETATM 6398 H18S POP D 13 23.996 22.083 3.411 1.00 0.00 H +HETATM 6399 H18T POP D 13 23.830 21.769 1.690 1.00 0.00 H +HETATM 6400 C11 POP D 14 8.899 23.040 20.104 1.00 0.00 C +HETATM 6401 C14 POP D 14 8.916 21.294 18.426 1.00 0.00 C +HETATM 6402 C13 POP D 14 7.589 23.390 18.148 1.00 0.00 C +HETATM 6403 N POP D 14 8.889 22.817 18.636 1.00 0.00 N +HETATM 6404 C15 POP D 14 10.052 23.502 17.916 1.00 0.00 C +HETATM 6405 C12 POP D 14 10.154 23.386 16.354 1.00 0.00 C +HETATM 6406 O1 POP D 14 10.400 21.996 16.003 1.00 0.00 O +HETATM 6407 P1 POP D 14 11.888 21.531 15.962 1.00 0.00 P +HETATM 6408 O4 POP D 14 12.790 22.573 16.531 1.00 0.00 O +HETATM 6409 O3 POP D 14 11.905 20.195 16.668 1.00 0.00 O +HETATM 6410 O2 POP D 14 12.068 21.348 14.375 1.00 0.00 O +HETATM 6411 C1 POP D 14 12.642 22.369 13.604 1.00 0.00 C +HETATM 6412 C2 POP D 14 11.945 22.474 12.146 1.00 0.00 C +HETATM 6413 O21 POP D 14 11.634 21.149 11.681 1.00 0.00 O +HETATM 6414 C21 POP D 14 10.652 21.195 10.775 1.00 0.00 C +HETATM 6415 O22 POP D 14 9.845 22.104 10.685 1.00 0.00 O +HETATM 6416 C22 POP D 14 10.633 19.889 10.051 1.00 0.00 C +HETATM 6417 C23 POP D 14 10.719 20.131 8.549 1.00 0.00 C +HETATM 6418 C24 POP D 14 12.063 20.650 8.046 1.00 0.00 C +HETATM 6419 C25 POP D 14 13.259 19.706 8.369 1.00 0.00 C +HETATM 6420 C26 POP D 14 14.580 20.122 7.663 1.00 0.00 C +HETATM 6421 C27 POP D 14 15.892 19.814 8.323 1.00 0.00 C +HETATM 6422 C28 POP D 14 16.156 20.678 9.567 1.00 0.00 C +HETATM 6423 C29 POP D 14 17.550 20.379 10.077 1.00 0.00 C +HETATM 6424 C210 POP D 14 18.522 21.274 10.270 1.00 0.00 C +HETATM 6425 C211 POP D 14 18.622 22.731 9.776 1.00 0.00 C +HETATM 6426 C212 POP D 14 20.026 22.963 9.163 1.00 0.00 C +HETATM 6427 C213 POP D 14 20.322 22.124 7.863 1.00 0.00 C +HETATM 6428 C214 POP D 14 21.741 22.340 7.326 1.00 0.00 C +HETATM 6429 C215 POP D 14 21.871 23.701 6.550 1.00 0.00 C +HETATM 6430 C216 POP D 14 20.885 23.991 5.447 1.00 0.00 C +HETATM 6431 C3 POP D 14 13.015 23.190 11.296 1.00 0.00 C +HETATM 6432 O31 POP D 14 12.543 23.510 9.964 1.00 0.00 O +HETATM 6433 C31 POP D 14 11.695 24.589 9.817 1.00 0.00 C +HETATM 6434 O32 POP D 14 11.377 25.396 10.688 1.00 0.00 O +HETATM 6435 C32 POP D 14 11.222 24.593 8.300 1.00 0.00 C +HETATM 6436 C33 POP D 14 9.761 24.887 8.154 1.00 0.00 C +HETATM 6437 C34 POP D 14 9.266 24.754 6.715 1.00 0.00 C +HETATM 6438 C35 POP D 14 7.780 24.988 6.611 1.00 0.00 C +HETATM 6439 C36 POP D 14 7.273 24.601 5.257 1.00 0.00 C +HETATM 6440 C37 POP D 14 5.858 25.086 4.914 1.00 0.00 C +HETATM 6441 C38 POP D 14 5.342 24.862 3.524 1.00 0.00 C +HETATM 6442 C39 POP D 14 3.950 25.568 3.392 1.00 0.00 C +HETATM 6443 C310 POP D 14 4.130 26.825 2.598 1.00 0.00 C +HETATM 6444 C311 POP D 14 2.778 27.342 1.954 1.00 0.00 C +HETATM 6445 C312 POP D 14 2.914 28.449 0.928 1.00 0.00 C +HETATM 6446 C313 POP D 14 3.417 29.657 1.686 1.00 0.00 C +HETATM 6447 C314 POP D 14 3.573 30.880 0.750 1.00 0.00 C +HETATM 6448 C315 POP D 14 4.024 32.109 1.452 1.00 0.00 C +HETATM 6449 C316 POP D 14 3.128 32.559 2.590 1.00 0.00 C +HETATM 6450 C217 POP D 14 21.367 25.111 4.492 1.00 0.00 C +HETATM 6451 C218 POP D 14 20.410 25.259 3.305 1.00 0.00 C +HETATM 6452 H21 POP D 14 8.009 22.778 20.657 1.00 0.00 H +HETATM 6453 H22 POP D 14 8.906 24.100 20.312 1.00 0.00 H +HETATM 6454 H23 POP D 14 9.781 22.799 20.679 1.00 0.00 H +HETATM 6455 H41 POP D 14 9.825 20.868 18.824 1.00 0.00 H +HETATM 6456 H42 POP D 14 8.116 20.839 18.991 1.00 0.00 H +HETATM 6457 H43 POP D 14 8.723 21.039 17.394 1.00 0.00 H +HETATM 6458 H31 POP D 14 7.574 23.249 17.077 1.00 0.00 H +HETATM 6459 H32 POP D 14 6.730 22.910 18.592 1.00 0.00 H +HETATM 6460 H33 POP D 14 7.588 24.457 18.316 1.00 0.00 H +HETATM 6461 H11 POP D 14 9.951 24.549 18.162 1.00 0.00 H +HETATM 6462 H12 POP D 14 10.969 23.114 18.335 1.00 0.00 H +HETATM 6463 H52 POP D 14 10.933 24.058 15.934 1.00 0.00 H +HETATM 6464 H51 POP D 14 9.196 23.793 15.965 1.00 0.00 H +HETATM 6465 HA POP D 14 13.719 22.149 13.442 1.00 0.00 H +HETATM 6466 HB POP D 14 12.396 23.327 14.110 1.00 0.00 H +HETATM 6467 HS POP D 14 11.026 23.097 12.151 1.00 0.00 H +HETATM 6468 H2R POP D 14 9.696 19.305 10.175 1.00 0.00 H +HETATM 6469 H2S POP D 14 11.448 19.259 10.468 1.00 0.00 H +HETATM 6470 H3R POP D 14 9.871 20.744 8.177 1.00 0.00 H +HETATM 6471 H3S POP D 14 10.667 19.114 8.106 1.00 0.00 H +HETATM 6472 H4R POP D 14 12.213 21.583 8.631 1.00 0.00 H +HETATM 6473 H4S POP D 14 12.077 20.744 6.939 1.00 0.00 H +HETATM 6474 H5R POP D 14 13.090 18.645 8.086 1.00 0.00 H +HETATM 6475 H5S POP D 14 13.316 19.669 9.478 1.00 0.00 H +HETATM 6476 H6R POP D 14 14.516 21.220 7.503 1.00 0.00 H +HETATM 6477 H6S POP D 14 14.502 19.623 6.673 1.00 0.00 H +HETATM 6478 H7R POP D 14 16.659 19.928 7.528 1.00 0.00 H +HETATM 6479 H7S POP D 14 15.966 18.793 8.756 1.00 0.00 H +HETATM 6480 H8R POP D 14 15.308 20.530 10.270 1.00 0.00 H +HETATM 6481 H8S POP D 14 16.129 21.761 9.319 1.00 0.00 H +HETATM 6482 H91 POP D 14 17.646 19.370 10.505 1.00 0.00 H +HETATM 6483 H101 POP D 14 19.461 20.797 10.587 1.00 0.00 H +HETATM 6484 H11R POP D 14 18.338 23.484 10.542 1.00 0.00 H +HETATM 6485 H11S POP D 14 17.908 22.926 8.947 1.00 0.00 H +HETATM 6486 H12R POP D 14 20.767 22.722 9.954 1.00 0.00 H +HETATM 6487 H12S POP D 14 19.967 24.046 8.923 1.00 0.00 H +HETATM 6488 H13R POP D 14 19.548 22.469 7.144 1.00 0.00 H +HETATM 6489 H13S POP D 14 20.194 21.042 8.078 1.00 0.00 H +HETATM 6490 H14R POP D 14 21.870 21.525 6.582 1.00 0.00 H +HETATM 6491 H14S POP D 14 22.574 22.128 8.030 1.00 0.00 H +HETATM 6492 H15R POP D 14 22.951 23.672 6.290 1.00 0.00 H +HETATM 6493 H15S POP D 14 21.906 24.420 7.396 1.00 0.00 H +HETATM 6494 H16R POP D 14 19.933 24.292 5.933 1.00 0.00 H +HETATM 6495 H16S POP D 14 20.816 23.059 4.846 1.00 0.00 H +HETATM 6496 HX POP D 14 14.018 22.713 11.287 1.00 0.00 H +HETATM 6497 HY POP D 14 13.227 24.148 11.817 1.00 0.00 H +HETATM 6498 H2X POP D 14 11.549 23.636 7.839 1.00 0.00 H +HETATM 6499 H2Y POP D 14 11.800 25.400 7.802 1.00 0.00 H +HETATM 6500 H3X POP D 14 9.588 25.927 8.505 1.00 0.00 H +HETATM 6501 H3Y POP D 14 9.153 24.214 8.796 1.00 0.00 H +HETATM 6502 H4X POP D 14 9.541 23.747 6.336 1.00 0.00 H +HETATM 6503 H4Y POP D 14 9.781 25.455 6.023 1.00 0.00 H +HETATM 6504 H5X POP D 14 7.601 26.085 6.619 1.00 0.00 H +HETATM 6505 H5Y POP D 14 7.166 24.603 7.453 1.00 0.00 H +HETATM 6506 H6X POP D 14 7.111 23.507 5.152 1.00 0.00 H +HETATM 6507 H6Y POP D 14 7.975 24.911 4.454 1.00 0.00 H +HETATM 6508 H7X POP D 14 5.705 26.161 5.150 1.00 0.00 H +HETATM 6509 H7Y POP D 14 5.148 24.598 5.616 1.00 0.00 H +HETATM 6510 H8X POP D 14 5.257 23.787 3.257 1.00 0.00 H +HETATM 6511 H8Y POP D 14 6.129 25.317 2.884 1.00 0.00 H +HETATM 6512 H9X POP D 14 3.550 25.756 4.412 1.00 0.00 H +HETATM 6513 H9Y POP D 14 3.315 24.826 2.862 1.00 0.00 H +HETATM 6514 H10X POP D 14 4.867 26.714 1.774 1.00 0.00 H +HETATM 6515 H10Y POP D 14 4.526 27.629 3.255 1.00 0.00 H +HETATM 6516 H11X POP D 14 2.149 27.588 2.836 1.00 0.00 H +HETATM 6517 H11Y POP D 14 2.334 26.493 1.391 1.00 0.00 H +HETATM 6518 H12X POP D 14 1.932 28.696 0.470 1.00 0.00 H +HETATM 6519 H12Y POP D 14 3.618 28.210 0.103 1.00 0.00 H +HETATM 6520 H13X POP D 14 4.374 29.384 2.179 1.00 0.00 H +HETATM 6521 H13Y POP D 14 2.637 29.828 2.458 1.00 0.00 H +HETATM 6522 H14X POP D 14 2.604 31.147 0.277 1.00 0.00 H +HETATM 6523 H14Y POP D 14 4.275 30.647 -0.080 1.00 0.00 H +HETATM 6524 H15X POP D 14 4.031 33.028 0.828 1.00 0.00 H +HETATM 6525 H15Y POP D 14 5.060 31.948 1.821 1.00 0.00 H +HETATM 6526 H16X POP D 14 2.907 31.784 3.355 1.00 0.00 H +HETATM 6527 H16Y POP D 14 2.169 32.957 2.196 1.00 0.00 H +HETATM 6528 H16Z POP D 14 3.539 33.416 3.165 1.00 0.00 H +HETATM 6529 H17R POP D 14 22.393 24.910 4.115 1.00 0.00 H +HETATM 6530 H17S POP D 14 21.329 26.119 4.959 1.00 0.00 H +HETATM 6531 H18R POP D 14 19.387 25.283 3.737 1.00 0.00 H +HETATM 6532 H18S POP D 14 20.392 24.328 2.699 1.00 0.00 H +HETATM 6533 H18T POP D 14 20.541 26.228 2.778 1.00 0.00 H +HETATM 6534 C11 POP D 15 37.631 5.285 13.666 1.00 0.00 C +HETATM 6535 C14 POP D 15 36.835 7.556 14.448 1.00 0.00 C +HETATM 6536 C13 POP D 15 35.656 6.224 12.856 1.00 0.00 C +HETATM 6537 N POP D 15 36.477 6.125 14.115 1.00 0.00 N +HETATM 6538 C15 POP D 15 35.786 5.536 15.340 1.00 0.00 C +HETATM 6539 C12 POP D 15 34.884 4.349 15.257 1.00 0.00 C +HETATM 6540 O1 POP D 15 33.636 4.675 14.760 1.00 0.00 O +HETATM 6541 P1 POP D 15 32.555 5.390 15.622 1.00 0.00 P +HETATM 6542 O4 POP D 15 32.380 4.768 16.926 1.00 0.00 O +HETATM 6543 O3 POP D 15 32.995 6.765 15.663 1.00 0.00 O +HETATM 6544 O2 POP D 15 31.246 5.275 14.732 1.00 0.00 O +HETATM 6545 C1 POP D 15 31.247 4.520 13.537 1.00 0.00 C +HETATM 6546 C2 POP D 15 32.024 5.197 12.359 1.00 0.00 C +HETATM 6547 O21 POP D 15 31.313 6.434 11.943 1.00 0.00 O +HETATM 6548 C21 POP D 15 32.064 7.428 11.447 1.00 0.00 C +HETATM 6549 O22 POP D 15 33.206 7.375 11.140 1.00 0.00 O +HETATM 6550 C22 POP D 15 31.080 8.608 11.173 1.00 0.00 C +HETATM 6551 C23 POP D 15 29.532 8.211 11.118 1.00 0.00 C +HETATM 6552 C24 POP D 15 28.632 9.347 10.596 1.00 0.00 C +HETATM 6553 C25 POP D 15 27.650 8.959 9.480 1.00 0.00 C +HETATM 6554 C26 POP D 15 26.737 7.909 9.977 1.00 0.00 C +HETATM 6555 C27 POP D 15 25.466 7.652 9.203 1.00 0.00 C +HETATM 6556 C28 POP D 15 24.688 6.488 9.769 1.00 0.00 C +HETATM 6557 C29 POP D 15 23.629 5.996 8.738 1.00 0.00 C +HETATM 6558 C210 POP D 15 23.928 5.424 7.591 1.00 0.00 C +HETATM 6559 C211 POP D 15 25.285 5.041 7.034 1.00 0.00 C +HETATM 6560 C212 POP D 15 25.451 5.804 5.659 1.00 0.00 C +HETATM 6561 C213 POP D 15 26.600 5.260 4.800 1.00 0.00 C +HETATM 6562 C214 POP D 15 27.048 6.003 3.477 1.00 0.00 C +HETATM 6563 C215 POP D 15 25.877 6.251 2.458 1.00 0.00 C +HETATM 6564 C216 POP D 15 25.391 5.047 1.647 1.00 0.00 C +HETATM 6565 C3 POP D 15 31.969 4.260 11.093 1.00 0.00 C +HETATM 6566 O31 POP D 15 32.583 4.814 9.927 1.00 0.00 O +HETATM 6567 C31 POP D 15 33.937 4.703 9.994 1.00 0.00 C +HETATM 6568 O32 POP D 15 34.559 3.989 10.778 1.00 0.00 O +HETATM 6569 C32 POP D 15 34.583 5.458 8.966 1.00 0.00 C +HETATM 6570 C33 POP D 15 35.942 4.886 8.669 1.00 0.00 C +HETATM 6571 C34 POP D 15 36.586 5.529 7.449 1.00 0.00 C +HETATM 6572 C35 POP D 15 37.923 4.889 6.982 1.00 0.00 C +HETATM 6573 C36 POP D 15 37.679 3.915 5.932 1.00 0.00 C +HETATM 6574 C37 POP D 15 38.915 3.067 5.398 1.00 0.00 C +HETATM 6575 C38 POP D 15 38.461 2.077 4.369 1.00 0.00 C +HETATM 6576 C39 POP D 15 39.554 1.072 3.816 1.00 0.00 C +HETATM 6577 C310 POP D 15 39.047 0.221 2.732 1.00 0.00 C +HETATM 6578 C311 POP D 15 40.094 -0.430 1.788 1.00 0.00 C +HETATM 6579 C312 POP D 15 41.119 -1.308 2.393 1.00 0.00 C +HETATM 6580 C313 POP D 15 42.166 -1.880 1.382 1.00 0.00 C +HETATM 6581 C314 POP D 15 43.454 -2.309 2.168 1.00 0.00 C +HETATM 6582 C315 POP D 15 43.249 -3.732 2.780 1.00 0.00 C +HETATM 6583 C316 POP D 15 44.245 -4.038 3.868 1.00 0.00 C +HETATM 6584 C217 POP D 15 24.437 5.534 0.446 1.00 0.00 C +HETATM 6585 C218 POP D 15 25.141 6.474 -0.525 1.00 0.00 C 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POP D 15 31.366 9.372 11.927 1.00 0.00 H +HETATM 6604 H3R POP D 15 29.178 7.916 12.129 1.00 0.00 H +HETATM 6605 H3S POP D 15 29.467 7.276 10.522 1.00 0.00 H +HETATM 6606 H4R POP D 15 29.362 10.019 10.096 1.00 0.00 H +HETATM 6607 H4S POP D 15 28.222 9.966 11.422 1.00 0.00 H +HETATM 6608 H5R POP D 15 28.216 8.665 8.571 1.00 0.00 H +HETATM 6609 H5S POP D 15 27.059 9.821 9.102 1.00 0.00 H +HETATM 6610 H6R POP D 15 26.460 8.187 11.016 1.00 0.00 H +HETATM 6611 H6S POP D 15 27.299 6.960 10.108 1.00 0.00 H +HETATM 6612 H7R POP D 15 25.891 7.422 8.203 1.00 0.00 H +HETATM 6613 H7S POP D 15 24.823 8.533 8.991 1.00 0.00 H +HETATM 6614 H8R POP D 15 24.178 6.901 10.665 1.00 0.00 H +HETATM 6615 H8S POP D 15 25.309 5.620 10.078 1.00 0.00 H +HETATM 6616 H91 POP D 15 22.608 6.088 9.135 1.00 0.00 H +HETATM 6617 H101 POP D 15 23.117 5.163 6.896 1.00 0.00 H +HETATM 6618 H11R POP D 15 25.327 3.942 6.875 1.00 0.00 H +HETATM 6619 H11S POP D 15 26.116 5.460 7.641 1.00 0.00 H +HETATM 6620 H12R POP D 15 25.590 6.894 5.821 1.00 0.00 H +HETATM 6621 H12S POP D 15 24.528 5.805 5.040 1.00 0.00 H +HETATM 6622 H13R POP D 15 26.263 4.255 4.469 1.00 0.00 H +HETATM 6623 H13S POP D 15 27.576 5.166 5.321 1.00 0.00 H +HETATM 6624 H14R POP D 15 27.889 5.478 2.976 1.00 0.00 H +HETATM 6625 H14S POP D 15 27.523 6.983 3.698 1.00 0.00 H +HETATM 6626 H15R POP D 15 26.238 7.003 1.724 1.00 0.00 H +HETATM 6627 H15S POP D 15 25.033 6.721 3.006 1.00 0.00 H +HETATM 6628 H16R POP D 15 24.784 4.352 2.265 1.00 0.00 H +HETATM 6629 H16S POP D 15 26.293 4.511 1.282 1.00 0.00 H +HETATM 6630 HX POP D 15 30.913 4.081 10.796 1.00 0.00 H +HETATM 6631 HY POP D 15 32.450 3.296 11.364 1.00 0.00 H +HETATM 6632 H2X POP D 15 34.775 6.479 9.360 1.00 0.00 H +HETATM 6633 H2Y POP D 15 33.989 5.563 8.034 1.00 0.00 H +HETATM 6634 H3X POP D 15 35.768 3.795 8.545 1.00 0.00 H +HETATM 6635 H3Y POP D 15 36.555 5.074 9.577 1.00 0.00 H +HETATM 6636 H4X POP D 15 36.753 6.538 7.883 1.00 0.00 H +HETATM 6637 H4Y POP D 15 35.906 5.479 6.573 1.00 0.00 H +HETATM 6638 H5X POP D 15 38.428 4.482 7.884 1.00 0.00 H +HETATM 6639 H5Y POP D 15 38.550 5.598 6.401 1.00 0.00 H +HETATM 6640 H6X POP D 15 37.223 4.435 5.062 1.00 0.00 H +HETATM 6641 H6Y POP D 15 36.887 3.185 6.205 1.00 0.00 H +HETATM 6642 H7X POP D 15 39.355 2.456 6.215 1.00 0.00 H +HETATM 6643 H7Y POP D 15 39.648 3.747 4.913 1.00 0.00 H +HETATM 6644 H8X POP D 15 38.151 2.677 3.487 1.00 0.00 H +HETATM 6645 H8Y POP D 15 37.513 1.522 4.533 1.00 0.00 H +HETATM 6646 H9X POP D 15 39.895 0.506 4.709 1.00 0.00 H +HETATM 6647 H9Y POP D 15 40.444 1.581 3.390 1.00 0.00 H +HETATM 6648 H10X POP D 15 38.337 0.838 2.141 1.00 0.00 H +HETATM 6649 H10Y POP D 15 38.479 -0.645 3.133 1.00 0.00 H +HETATM 6650 H11X POP D 15 40.627 0.400 1.278 1.00 0.00 H +HETATM 6651 H11Y POP D 15 39.566 -1.028 1.015 1.00 0.00 H +HETATM 6652 H12X POP D 15 40.588 -2.100 2.962 1.00 0.00 H +HETATM 6653 H12Y POP D 15 41.773 -0.767 3.112 1.00 0.00 H +HETATM 6654 H13X POP D 15 42.559 -1.062 0.742 1.00 0.00 H +HETATM 6655 H13Y POP D 15 41.805 -2.744 0.784 1.00 0.00 H +HETATM 6656 H14X POP D 15 43.587 -1.517 2.936 1.00 0.00 H +HETATM 6657 H14Y POP D 15 44.389 -2.296 1.569 1.00 0.00 H +HETATM 6658 H15X POP D 15 43.300 -4.470 1.952 1.00 0.00 H +HETATM 6659 H15Y POP D 15 42.226 -3.673 3.212 1.00 0.00 H +HETATM 6660 H16X POP D 15 44.170 -3.377 4.758 1.00 0.00 H +HETATM 6661 H16Y POP D 15 45.280 -3.971 3.470 1.00 0.00 H +HETATM 6662 H16Z POP D 15 44.193 -5.076 4.262 1.00 0.00 H +HETATM 6663 H17R POP D 15 23.552 6.078 0.840 1.00 0.00 H +HETATM 6664 H17S POP D 15 24.007 4.671 -0.106 1.00 0.00 H +HETATM 6665 H18R POP D 15 25.262 7.486 -0.084 1.00 0.00 H +HETATM 6666 H18S POP D 15 24.616 6.691 -1.479 1.00 0.00 H +HETATM 6667 H18T POP D 15 26.187 6.163 -0.734 1.00 0.00 H +HETATM 6668 C11 POP D 16 25.446 -17.224 23.391 1.00 0.00 C +HETATM 6669 C14 POP D 16 23.223 -17.968 22.598 1.00 0.00 C +HETATM 6670 C13 POP D 16 23.939 -15.710 22.194 1.00 0.00 C +HETATM 6671 N POP D 16 24.431 -17.056 22.318 1.00 0.00 N +HETATM 6672 C15 POP D 16 25.049 -17.464 20.974 1.00 0.00 C +HETATM 6673 C12 POP D 16 26.008 -16.454 20.305 1.00 0.00 C +HETATM 6674 O1 POP D 16 27.181 -16.234 21.141 1.00 0.00 O +HETATM 6675 P1 POP D 16 27.684 -14.752 21.106 1.00 0.00 P +HETATM 6676 O4 POP D 16 26.583 -13.960 21.685 1.00 0.00 O +HETATM 6677 O3 POP D 16 28.989 -14.594 21.824 1.00 0.00 O +HETATM 6678 O2 POP D 16 27.777 -14.449 19.584 1.00 0.00 O +HETATM 6679 C1 POP D 16 28.898 -15.108 18.936 1.00 0.00 C +HETATM 6680 C2 POP D 16 28.882 -15.056 17.315 1.00 0.00 C +HETATM 6681 O21 POP D 16 28.996 -13.666 17.021 1.00 0.00 O +HETATM 6682 C21 POP D 16 29.389 -13.423 15.802 1.00 0.00 C +HETATM 6683 O22 POP D 16 29.647 -14.289 14.937 1.00 0.00 O +HETATM 6684 C22 POP D 16 29.389 -11.886 15.617 1.00 0.00 C +HETATM 6685 C23 POP D 16 29.888 -11.467 14.277 1.00 0.00 C +HETATM 6686 C24 POP D 16 30.211 -9.967 14.051 1.00 0.00 C +HETATM 6687 C25 POP D 16 30.538 -9.546 12.629 1.00 0.00 C +HETATM 6688 C26 POP D 16 29.531 -9.797 11.531 1.00 0.00 C 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1.00 0.00 C +HETATM 6706 C35 POP D 16 24.894 -15.682 10.789 1.00 0.00 C +HETATM 6707 C36 POP D 16 24.802 -15.278 9.343 1.00 0.00 C +HETATM 6708 C37 POP D 16 25.547 -16.201 8.349 1.00 0.00 C +HETATM 6709 C38 POP D 16 25.236 -16.041 6.862 1.00 0.00 C +HETATM 6710 C39 POP D 16 26.252 -16.714 5.855 1.00 0.00 C +HETATM 6711 C310 POP D 16 26.204 -18.232 6.052 1.00 0.00 C +HETATM 6712 C311 POP D 16 27.172 -19.045 5.016 1.00 0.00 C +HETATM 6713 C312 POP D 16 27.078 -20.567 5.215 1.00 0.00 C +HETATM 6714 C313 POP D 16 25.588 -21.092 5.064 1.00 0.00 C +HETATM 6715 C314 POP D 16 25.365 -22.621 5.265 1.00 0.00 C +HETATM 6716 C315 POP D 16 23.920 -23.219 5.042 1.00 0.00 C +HETATM 6717 C316 POP D 16 23.870 -24.760 5.068 1.00 0.00 C +HETATM 6718 C217 POP D 16 30.806 -5.620 4.016 1.00 0.00 C +HETATM 6719 C218 POP D 16 31.732 -6.598 3.229 1.00 0.00 C +HETATM 6720 H21 POP D 16 26.325 -16.615 23.237 1.00 0.00 H +HETATM 6721 H22 POP D 16 25.745 -18.259 23.456 1.00 0.00 H +HETATM 6722 H23 POP D 16 24.961 -16.920 24.306 1.00 0.00 H +HETATM 6723 H41 POP D 16 23.585 -18.953 22.850 1.00 0.00 H +HETATM 6724 H42 POP D 16 22.656 -17.515 23.398 1.00 0.00 H +HETATM 6725 H43 POP D 16 22.594 -18.058 21.725 1.00 0.00 H +HETATM 6726 H31 POP D 16 23.198 -15.549 21.424 1.00 0.00 H +HETATM 6727 H32 POP D 16 23.593 -15.421 23.175 1.00 0.00 H +HETATM 6728 H33 POP D 16 24.827 -15.144 21.958 1.00 0.00 H +HETATM 6729 H11 POP D 16 25.537 -18.404 21.189 1.00 0.00 H +HETATM 6730 H12 POP D 16 24.252 -17.688 20.281 1.00 0.00 H +HETATM 6731 H52 POP D 16 25.399 -15.544 20.118 1.00 0.00 H +HETATM 6732 H51 POP D 16 26.240 -16.842 19.290 1.00 0.00 H +HETATM 6733 HA POP D 16 28.814 -16.183 19.204 1.00 0.00 H +HETATM 6734 HB POP D 16 29.831 -14.593 19.250 1.00 0.00 H +HETATM 6735 HS POP D 16 29.821 -15.543 16.974 1.00 0.00 H +HETATM 6736 H2R POP D 16 30.013 -11.469 16.437 1.00 0.00 H +HETATM 6737 H2S POP D 16 28.319 -11.670 15.825 1.00 0.00 H +HETATM 6738 H3R POP D 16 29.299 -11.830 13.408 1.00 0.00 H +HETATM 6739 H3S POP D 16 30.894 -11.870 14.033 1.00 0.00 H +HETATM 6740 H4R POP D 16 31.006 -9.628 14.749 1.00 0.00 H +HETATM 6741 H4S POP D 16 29.330 -9.352 14.334 1.00 0.00 H +HETATM 6742 H5R POP D 16 31.448 -10.121 12.353 1.00 0.00 H +HETATM 6743 H5S POP D 16 30.833 -8.475 12.623 1.00 0.00 H +HETATM 6744 H6R POP D 16 29.217 -10.860 11.593 1.00 0.00 H +HETATM 6745 H6S POP D 16 29.964 -9.692 10.513 1.00 0.00 H +HETATM 6746 H7R POP D 16 28.290 -7.759 11.567 1.00 0.00 H +HETATM 6747 H7S POP D 16 27.664 -9.187 12.448 1.00 0.00 H +HETATM 6748 H8R POP D 16 27.037 -10.374 10.547 1.00 0.00 H +HETATM 6749 H8S POP D 16 27.947 -9.170 9.516 1.00 0.00 H +HETATM 6750 H91 POP D 16 25.237 -8.939 11.207 1.00 0.00 H +HETATM 6751 H101 POP D 16 24.437 -7.206 9.597 1.00 0.00 H +HETATM 6752 H11R POP D 16 25.474 -6.965 7.624 1.00 0.00 H +HETATM 6753 H11S POP D 16 26.653 -8.238 7.977 1.00 0.00 H +HETATM 6754 H12R POP D 16 27.931 -6.489 9.492 1.00 0.00 H +HETATM 6755 H12S POP D 16 26.648 -5.341 8.873 1.00 0.00 H +HETATM 6756 H13R POP D 16 28.878 -5.220 8.003 1.00 0.00 H +HETATM 6757 H13S POP D 16 27.661 -5.693 6.657 1.00 0.00 H +HETATM 6758 H14R POP D 16 28.590 -8.228 6.812 1.00 0.00 H +HETATM 6759 H14S POP D 16 29.636 -7.699 8.044 1.00 0.00 H +HETATM 6760 H15R POP D 16 31.074 -7.604 6.092 1.00 0.00 H +HETATM 6761 H15S POP D 16 30.853 -5.985 6.656 1.00 0.00 H +HETATM 6762 H16R POP D 16 28.955 -5.688 5.047 1.00 0.00 H +HETATM 6763 H16S POP D 16 29.253 -7.233 4.302 1.00 0.00 H +HETATM 6764 HX POP D 16 26.707 -15.087 17.411 1.00 0.00 H +HETATM 6765 HY POP D 16 27.419 -16.615 17.333 1.00 0.00 H +HETATM 6766 H2X POP D 16 27.978 -17.320 12.806 1.00 0.00 H +HETATM 6767 H2Y POP D 16 28.438 -15.564 13.031 1.00 0.00 H +HETATM 6768 H3X POP D 16 26.129 -14.934 13.290 1.00 0.00 H +HETATM 6769 H3Y POP D 16 25.613 -16.633 13.288 1.00 0.00 H +HETATM 6770 H4X POP D 16 26.847 -16.770 10.953 1.00 0.00 H +HETATM 6771 H4Y POP D 16 26.870 -15.032 10.915 1.00 0.00 H +HETATM 6772 H5X POP D 16 24.498 -14.934 11.508 1.00 0.00 H +HETATM 6773 H5Y POP D 16 24.258 -16.593 10.821 1.00 0.00 H +HETATM 6774 H6X POP D 16 25.238 -14.264 9.221 1.00 0.00 H +HETATM 6775 H6Y POP D 16 23.742 -15.184 9.024 1.00 0.00 H +HETATM 6776 H7X POP D 16 25.294 -17.235 8.665 1.00 0.00 H +HETATM 6777 H7Y POP D 16 26.617 -16.067 8.619 1.00 0.00 H +HETATM 6778 H8X POP D 16 25.319 -14.943 6.711 1.00 0.00 H +HETATM 6779 H8Y POP D 16 24.187 -16.405 6.817 1.00 0.00 H +HETATM 6780 H9X POP D 16 27.203 -16.171 6.040 1.00 0.00 H +HETATM 6781 H9Y POP D 16 25.919 -16.459 4.827 1.00 0.00 H +HETATM 6782 H10X POP D 16 25.127 -18.482 5.943 1.00 0.00 H +HETATM 6783 H10Y POP D 16 26.566 -18.574 7.045 1.00 0.00 H +HETATM 6784 H11X POP D 16 28.141 -18.659 5.399 1.00 0.00 H +HETATM 6785 H11Y POP D 16 26.951 -18.818 3.951 1.00 0.00 H +HETATM 6786 H12X POP D 16 27.556 -20.775 6.196 1.00 0.00 H +HETATM 6787 H12Y POP D 16 27.751 -21.120 4.525 1.00 0.00 H +HETATM 6788 H13X POP D 16 25.140 -20.745 4.108 1.00 0.00 H +HETATM 6789 H13Y POP D 16 24.881 -20.584 5.754 1.00 0.00 H +HETATM 6790 H14X POP D 16 25.721 -22.793 6.304 1.00 0.00 H +HETATM 6791 H14Y POP D 16 26.002 -23.134 4.513 1.00 0.00 H +HETATM 6792 H15X POP D 16 23.461 -22.745 4.149 1.00 0.00 H +HETATM 6793 H15Y POP D 16 23.284 -22.705 5.794 1.00 0.00 H +HETATM 6794 H16X POP D 16 22.814 -25.102 5.111 1.00 0.00 H +HETATM 6795 H16Y POP D 16 24.398 -25.067 5.996 1.00 0.00 H +HETATM 6796 H16Z POP D 16 24.322 -25.252 4.180 1.00 0.00 H +HETATM 6797 H17R POP D 16 31.442 -4.973 4.657 1.00 0.00 H +HETATM 6798 H17S POP D 16 30.335 -4.931 3.283 1.00 0.00 H +HETATM 6799 H18R POP D 16 31.187 -6.943 2.324 1.00 0.00 H +HETATM 6800 H18S POP D 16 32.113 -7.413 3.880 1.00 0.00 H +HETATM 6801 H18T POP D 16 32.608 -6.042 2.831 1.00 0.00 H +HETATM 6802 C11 POP D 17 38.381 -19.351 15.935 1.00 0.00 C +HETATM 6803 C14 POP D 17 38.570 -21.238 17.226 1.00 0.00 C +HETATM 6804 C13 POP D 17 37.416 -19.432 18.237 1.00 0.00 C +HETATM 6805 N POP D 17 37.629 -20.159 16.910 1.00 0.00 N +HETATM 6806 C15 POP D 17 36.347 -20.658 16.301 1.00 0.00 C +HETATM 6807 C12 POP D 17 36.460 -21.427 15.025 1.00 0.00 C +HETATM 6808 O1 POP D 17 37.022 -22.690 15.170 1.00 0.00 O +HETATM 6809 P1 POP D 17 36.141 -23.900 15.621 1.00 0.00 P +HETATM 6810 O4 POP D 17 36.950 -25.147 15.492 1.00 0.00 O +HETATM 6811 O3 POP D 17 35.490 -23.520 16.922 1.00 0.00 O +HETATM 6812 O2 POP D 17 35.080 -24.002 14.444 1.00 0.00 O +HETATM 6813 C1 POP D 17 35.607 -24.544 13.195 1.00 0.00 C +HETATM 6814 C2 POP D 17 34.757 -24.154 11.933 1.00 0.00 C +HETATM 6815 O21 POP D 17 34.670 -22.729 11.815 1.00 0.00 O +HETATM 6816 C21 POP D 17 35.772 -22.123 11.433 1.00 0.00 C +HETATM 6817 O22 POP D 17 36.835 -22.669 11.161 1.00 0.00 O +HETATM 6818 C22 POP D 17 35.688 -20.602 11.565 1.00 0.00 C +HETATM 6819 C23 POP D 17 36.269 -19.809 10.348 1.00 0.00 C +HETATM 6820 C24 POP D 17 35.555 -19.921 8.994 1.00 0.00 C +HETATM 6821 C25 POP D 17 34.019 -19.484 8.888 1.00 0.00 C +HETATM 6822 C26 POP D 17 33.559 -19.559 7.493 1.00 0.00 C +HETATM 6823 C27 POP D 17 32.055 -19.336 7.449 1.00 0.00 C +HETATM 6824 C28 POP D 17 31.524 -18.096 8.210 1.00 0.00 C +HETATM 6825 C29 POP D 17 30.061 -17.850 8.047 1.00 0.00 C +HETATM 6826 C210 POP D 17 29.087 -17.934 9.024 1.00 0.00 C +HETATM 6827 C211 POP D 17 29.439 -18.673 10.320 1.00 0.00 C +HETATM 6828 C212 POP D 17 28.325 -19.617 10.883 1.00 0.00 C +HETATM 6829 C213 POP D 17 27.773 -20.620 9.971 1.00 0.00 C +HETATM 6830 C214 POP D 17 26.810 -21.677 10.557 1.00 0.00 C +HETATM 6831 C215 POP D 17 25.618 -21.098 11.272 1.00 0.00 C +HETATM 6832 C216 POP D 17 24.631 -22.167 11.684 1.00 0.00 C +HETATM 6833 C3 POP D 17 33.293 -24.810 12.066 1.00 0.00 C +HETATM 6834 O31 POP D 17 32.592 -24.538 10.823 1.00 0.00 O +HETATM 6835 C31 POP D 17 31.607 -23.641 10.905 1.00 0.00 C +HETATM 6836 O32 POP D 17 31.254 -23.039 11.921 1.00 0.00 O +HETATM 6837 C32 POP D 17 31.133 -23.284 9.504 1.00 0.00 C +HETATM 6838 C33 POP D 17 29.603 -23.640 9.131 1.00 0.00 C +HETATM 6839 C34 POP D 17 29.116 -25.095 9.125 1.00 0.00 C +HETATM 6840 C35 POP D 17 27.691 -25.280 8.671 1.00 0.00 C +HETATM 6841 C36 POP D 17 27.533 -24.948 7.183 1.00 0.00 C +HETATM 6842 C37 POP D 17 28.479 -25.673 6.304 1.00 0.00 C +HETATM 6843 C38 POP D 17 28.088 -25.564 4.800 1.00 0.00 C +HETATM 6844 C39 POP D 17 29.199 -26.275 3.942 1.00 0.00 C +HETATM 6845 C310 POP D 17 29.133 -27.810 4.040 1.00 0.00 C +HETATM 6846 C311 POP D 17 30.249 -28.452 3.103 1.00 0.00 C +HETATM 6847 C312 POP D 17 31.649 -28.541 3.780 1.00 0.00 C +HETATM 6848 C313 POP D 17 32.784 -28.909 2.877 1.00 0.00 C +HETATM 6849 C314 POP D 17 34.106 -29.013 3.666 1.00 0.00 C +HETATM 6850 C315 POP D 17 35.306 -29.200 2.707 1.00 0.00 C +HETATM 6851 C316 POP D 17 36.615 -28.717 3.438 1.00 0.00 C +HETATM 6852 C217 POP D 17 24.258 -23.077 10.499 1.00 0.00 C +HETATM 6853 C218 POP D 17 23.655 -22.464 9.257 1.00 0.00 C +HETATM 6854 H21 POP D 17 39.306 -19.016 16.382 1.00 0.00 H +HETATM 6855 H22 POP D 17 37.783 -18.521 15.590 1.00 0.00 H +HETATM 6856 H23 POP D 17 38.657 -19.977 15.100 1.00 0.00 H +HETATM 6857 H41 POP D 17 39.420 -20.918 17.810 1.00 0.00 H +HETATM 6858 H42 POP D 17 37.924 -21.922 17.757 1.00 0.00 H +HETATM 6859 H43 POP D 17 38.830 -21.754 16.314 1.00 0.00 H +HETATM 6860 H31 POP D 17 36.732 -18.600 18.155 1.00 0.00 H +HETATM 6861 H32 POP D 17 36.976 -20.055 19.001 1.00 0.00 H +HETATM 6862 H33 POP D 17 38.337 -19.005 18.606 1.00 0.00 H +HETATM 6863 H11 POP D 17 35.826 -21.329 16.968 1.00 0.00 H +HETATM 6864 H12 POP D 17 35.620 -19.888 16.090 1.00 0.00 H +HETATM 6865 H52 POP D 17 37.027 -20.816 14.290 1.00 0.00 H +HETATM 6866 H51 POP D 17 35.462 -21.538 14.549 1.00 0.00 H +HETATM 6867 HA POP D 17 35.479 -25.643 13.288 1.00 0.00 H +HETATM 6868 HB POP D 17 36.675 -24.284 13.033 1.00 0.00 H +HETATM 6869 HS POP D 17 35.224 -24.593 11.025 1.00 0.00 H +HETATM 6870 H2R POP D 17 36.025 -20.174 12.533 1.00 0.00 H +HETATM 6871 H2S POP D 17 34.596 -20.398 11.567 1.00 0.00 H +HETATM 6872 H3R POP D 17 37.350 -20.034 10.224 1.00 0.00 H +HETATM 6873 H3S POP D 17 36.158 -18.759 10.696 1.00 0.00 H +HETATM 6874 H4R POP D 17 35.634 -20.956 8.597 1.00 0.00 H +HETATM 6875 H4S POP D 17 36.145 -19.362 8.236 1.00 0.00 H +HETATM 6876 H5R POP D 17 33.936 -18.459 9.310 1.00 0.00 H +HETATM 6877 H5S POP D 17 33.440 -20.139 9.573 1.00 0.00 H +HETATM 6878 H6R POP D 17 33.804 -20.595 7.178 1.00 0.00 H +HETATM 6879 H6S POP D 17 34.037 -18.849 6.783 1.00 0.00 H +HETATM 6880 H7R POP D 17 31.722 -20.256 7.976 1.00 0.00 H +HETATM 6881 H7S POP D 17 31.695 -19.407 6.401 1.00 0.00 H +HETATM 6882 H8R POP D 17 32.122 -17.215 7.895 1.00 0.00 H +HETATM 6883 H8S POP D 17 31.738 -18.193 9.296 1.00 0.00 H +HETATM 6884 H91 POP D 17 29.842 -17.515 7.022 1.00 0.00 H +HETATM 6885 H101 POP D 17 28.032 -17.698 8.818 1.00 0.00 H +HETATM 6886 H11R POP D 17 29.568 -17.923 11.130 1.00 0.00 H +HETATM 6887 H11S POP D 17 30.337 -19.316 10.198 1.00 0.00 H +HETATM 6888 H12R POP D 17 27.589 -18.915 11.329 1.00 0.00 H +HETATM 6889 H12S POP D 17 28.792 -20.111 11.762 1.00 0.00 H +HETATM 6890 H13R POP D 17 28.643 -21.152 9.531 1.00 0.00 H +HETATM 6891 H13S POP D 17 27.292 -20.140 9.092 1.00 0.00 H +HETATM 6892 H14R POP D 17 27.517 -22.149 11.273 1.00 0.00 H +HETATM 6893 H14S POP D 17 26.632 -22.350 9.691 1.00 0.00 H +HETATM 6894 H15R POP D 17 25.074 -20.421 10.578 1.00 0.00 H +HETATM 6895 H15S POP D 17 25.932 -20.489 12.146 1.00 0.00 H +HETATM 6896 H16R POP D 17 23.729 -21.666 12.094 1.00 0.00 H +HETATM 6897 H16S POP D 17 25.100 -22.813 12.458 1.00 0.00 H +HETATM 6898 HX POP D 17 32.638 -24.514 12.913 1.00 0.00 H +HETATM 6899 HY POP D 17 33.415 -25.903 12.219 1.00 0.00 H +HETATM 6900 H2X POP D 17 31.735 -23.741 8.690 1.00 0.00 H +HETATM 6901 H2Y POP D 17 31.280 -22.184 9.449 1.00 0.00 H +HETATM 6902 H3X POP D 17 29.541 -23.114 8.154 1.00 0.00 H +HETATM 6903 H3Y POP D 17 28.930 -23.120 9.846 1.00 0.00 H +HETATM 6904 H4X POP D 17 29.147 -25.368 10.202 1.00 0.00 H +HETATM 6905 H4Y POP D 17 29.847 -25.811 8.692 1.00 0.00 H +HETATM 6906 H5X POP D 17 27.044 -24.536 9.181 1.00 0.00 H +HETATM 6907 H5Y POP D 17 27.218 -26.269 8.849 1.00 0.00 H +HETATM 6908 H6X POP D 17 27.640 -23.873 6.924 1.00 0.00 H +HETATM 6909 H6Y POP D 17 26.468 -25.112 6.914 1.00 0.00 H +HETATM 6910 H7X POP D 17 28.504 -26.704 6.719 1.00 0.00 H +HETATM 6911 H7Y POP D 17 29.546 -25.370 6.362 1.00 0.00 H +HETATM 6912 H8X POP D 17 28.072 -24.491 4.510 1.00 0.00 H +HETATM 6913 H8Y POP D 17 27.081 -25.950 4.536 1.00 0.00 H +HETATM 6914 H9X POP D 17 30.193 -25.944 4.312 1.00 0.00 H +HETATM 6915 H9Y POP D 17 29.009 -26.112 2.859 1.00 0.00 H +HETATM 6916 H10X POP D 17 28.141 -28.159 3.680 1.00 0.00 H +HETATM 6917 H10Y POP D 17 29.182 -28.188 5.084 1.00 0.00 H +HETATM 6918 H11X POP D 17 30.332 -27.827 2.188 1.00 0.00 H +HETATM 6919 H11Y POP D 17 29.979 -29.518 2.944 1.00 0.00 H +HETATM 6920 H12X POP D 17 31.640 -29.161 4.702 1.00 0.00 H +HETATM 6921 H12Y POP D 17 31.845 -27.503 4.125 1.00 0.00 H +HETATM 6922 H13X POP D 17 32.841 -28.164 2.055 1.00 0.00 H +HETATM 6923 H13Y POP D 17 32.607 -29.922 2.458 1.00 0.00 H +HETATM 6924 H14X POP D 17 34.240 -29.844 4.392 1.00 0.00 H +HETATM 6925 H14Y POP D 17 34.326 -28.035 4.145 1.00 0.00 H +HETATM 6926 H15X POP D 17 35.133 -28.531 1.838 1.00 0.00 H +HETATM 6927 H15Y POP D 17 35.529 -30.284 2.608 1.00 0.00 H +HETATM 6928 H16X POP D 17 37.568 -28.647 2.873 1.00 0.00 H +HETATM 6929 H16Y POP D 17 36.655 -29.369 4.337 1.00 0.00 H +HETATM 6930 H16Z POP D 17 36.417 -27.677 3.774 1.00 0.00 H +HETATM 6931 H17R POP D 17 23.582 -23.856 10.912 1.00 0.00 H +HETATM 6932 H17S POP D 17 25.169 -23.673 10.279 1.00 0.00 H +HETATM 6933 H18R POP D 17 22.711 -21.979 9.585 1.00 0.00 H +HETATM 6934 H18S POP D 17 23.500 -23.278 8.516 1.00 0.00 H +HETATM 6935 H18T POP D 17 24.348 -21.668 8.910 1.00 0.00 H +HETATM 6936 C11 POP D 18 15.290 17.760 19.106 1.00 0.00 C +HETATM 6937 C14 POP D 18 14.698 20.135 19.074 1.00 0.00 C +HETATM 6938 C13 POP D 18 16.716 19.397 18.182 1.00 0.00 C +HETATM 6939 N POP D 18 15.287 19.015 18.349 1.00 0.00 N +HETATM 6940 C15 POP D 18 14.689 18.856 16.902 1.00 0.00 C +HETATM 6941 C12 POP D 18 15.276 17.745 15.989 1.00 0.00 C +HETATM 6942 O1 POP D 18 16.671 17.908 15.826 1.00 0.00 O +HETATM 6943 P1 POP D 18 17.549 16.518 15.660 1.00 0.00 P +HETATM 6944 O4 POP D 18 18.969 16.901 15.468 1.00 0.00 O +HETATM 6945 O3 POP D 18 17.224 15.511 16.689 1.00 0.00 O +HETATM 6946 O2 POP D 18 16.912 15.972 14.290 1.00 0.00 O +HETATM 6947 C1 POP D 18 16.945 16.802 13.106 1.00 0.00 C +HETATM 6948 C2 POP D 18 16.602 15.914 11.861 1.00 0.00 C +HETATM 6949 O21 POP D 18 17.301 16.288 10.641 1.00 0.00 O +HETATM 6950 C21 POP D 18 18.636 16.137 10.450 1.00 0.00 C +HETATM 6951 O22 POP D 18 19.427 15.706 11.284 1.00 0.00 O +HETATM 6952 C22 POP D 18 19.091 16.738 9.140 1.00 0.00 C +HETATM 6953 C23 POP D 18 20.285 17.664 9.299 1.00 0.00 C +HETATM 6954 C24 POP D 18 20.866 18.298 7.973 1.00 0.00 C +HETATM 6955 C25 POP D 18 21.598 17.247 7.194 1.00 0.00 C +HETATM 6956 C26 POP D 18 22.233 17.743 5.851 1.00 0.00 C +HETATM 6957 C27 POP D 18 21.162 18.269 4.879 1.00 0.00 C +HETATM 6958 C28 POP D 18 21.684 18.935 3.600 1.00 0.00 C +HETATM 6959 C29 POP D 18 21.856 18.033 2.463 1.00 0.00 C +HETATM 6960 C210 POP D 18 22.098 18.439 1.224 1.00 0.00 C +HETATM 6961 C211 POP D 18 22.174 19.848 0.774 1.00 0.00 C +HETATM 6962 C212 POP D 18 21.353 20.251 -0.494 1.00 0.00 C +HETATM 6963 C213 POP D 18 21.533 21.691 -0.924 1.00 0.00 C +HETATM 6964 C214 POP D 18 20.842 22.663 0.033 1.00 0.00 C +HETATM 6965 C215 POP D 18 20.813 24.073 -0.502 1.00 0.00 C +HETATM 6966 C216 POP D 18 22.075 24.809 -0.178 1.00 0.00 C +HETATM 6967 C3 POP D 18 15.100 15.747 11.590 1.00 0.00 C +HETATM 6968 O31 POP D 18 14.694 14.598 10.715 1.00 0.00 O +HETATM 6969 C31 POP D 18 13.667 14.932 9.934 1.00 0.00 C +HETATM 6970 O32 POP D 18 13.079 16.010 9.894 1.00 0.00 O +HETATM 6971 C32 POP D 18 13.462 13.842 8.965 1.00 0.00 C +HETATM 6972 C33 POP D 18 14.105 14.149 7.573 1.00 0.00 C +HETATM 6973 C34 POP D 18 15.613 14.131 7.528 1.00 0.00 C +HETATM 6974 C35 POP D 18 16.273 13.783 6.150 1.00 0.00 C +HETATM 6975 C36 POP D 18 15.956 14.900 5.161 1.00 0.00 C +HETATM 6976 C37 POP D 18 16.786 14.797 3.845 1.00 0.00 C +HETATM 6977 C38 POP D 18 16.465 15.919 2.849 1.00 0.00 C +HETATM 6978 C39 POP D 18 16.811 15.518 1.463 1.00 0.00 C +HETATM 6979 C310 POP D 18 18.305 15.824 1.143 1.00 0.00 C +HETATM 6980 C311 POP D 18 18.720 15.530 -0.353 1.00 0.00 C +HETATM 6981 C312 POP D 18 20.215 15.746 -0.418 1.00 0.00 C +HETATM 6982 C313 POP D 18 20.748 15.246 -1.757 1.00 0.00 C +HETATM 6983 C314 POP D 18 22.065 14.452 -1.808 1.00 0.00 C +HETATM 6984 C315 POP D 18 23.297 15.265 -1.320 1.00 0.00 C +HETATM 6985 C316 POP D 18 23.671 16.568 -1.975 1.00 0.00 C +HETATM 6986 C217 POP D 18 21.981 26.271 -0.408 1.00 0.00 C +HETATM 6987 C218 POP D 18 23.090 27.124 0.127 1.00 0.00 C +HETATM 6988 H21 POP D 18 14.264 17.510 19.332 1.00 0.00 H +HETATM 6989 H22 POP D 18 15.559 17.892 20.144 1.00 0.00 H +HETATM 6990 H23 POP D 18 15.963 17.000 18.740 1.00 0.00 H +HETATM 6991 H41 POP D 18 15.188 20.285 20.024 1.00 0.00 H +HETATM 6992 H42 POP D 18 14.724 21.063 18.522 1.00 0.00 H +HETATM 6993 H43 POP D 18 13.682 19.894 19.351 1.00 0.00 H +HETATM 6994 H31 POP D 18 17.129 18.987 17.272 1.00 0.00 H +HETATM 6995 H32 POP D 18 16.836 20.470 18.186 1.00 0.00 H +HETATM 6996 H33 POP D 18 17.357 19.020 18.965 1.00 0.00 H +HETATM 6997 H11 POP D 18 13.671 18.615 17.171 1.00 0.00 H +HETATM 6998 H12 POP D 18 14.788 19.764 16.324 1.00 0.00 H +HETATM 6999 H52 POP D 18 14.851 17.784 14.964 1.00 0.00 H +HETATM 7000 H51 POP D 18 14.864 16.742 16.230 1.00 0.00 H +HETATM 7001 HA POP D 18 17.970 17.170 12.890 1.00 0.00 H +HETATM 7002 HB POP D 18 16.171 17.599 13.088 1.00 0.00 H +HETATM 7003 HS POP D 18 16.966 14.914 12.181 1.00 0.00 H +HETATM 7004 H2R POP D 18 18.229 17.319 8.749 1.00 0.00 H +HETATM 7005 H2S POP D 18 19.396 15.920 8.452 1.00 0.00 H +HETATM 7006 H3R POP D 18 20.957 17.174 10.036 1.00 0.00 H +HETATM 7007 H3S POP D 18 19.758 18.454 9.875 1.00 0.00 H +HETATM 7008 H4R POP D 18 21.651 19.021 8.281 1.00 0.00 H +HETATM 7009 H4S POP D 18 19.994 18.794 7.496 1.00 0.00 H +HETATM 7010 H5R POP D 18 20.853 16.519 6.808 1.00 0.00 H +HETATM 7011 H5S POP D 18 22.373 16.725 7.795 1.00 0.00 H +HETATM 7012 H6R POP D 18 22.829 16.943 5.363 1.00 0.00 H +HETATM 7013 H6S POP D 18 22.945 18.576 6.032 1.00 0.00 H +HETATM 7014 H7R POP D 18 20.415 18.894 5.415 1.00 0.00 H +HETATM 7015 H7S POP D 18 20.513 17.413 4.597 1.00 0.00 H +HETATM 7016 H8R POP D 18 22.728 19.276 3.769 1.00 0.00 H +HETATM 7017 H8S POP D 18 20.985 19.761 3.348 1.00 0.00 H +HETATM 7018 H91 POP D 18 21.785 16.963 2.705 1.00 0.00 H +HETATM 7019 H101 POP D 18 22.296 17.607 0.533 1.00 0.00 H +HETATM 7020 H11R POP D 18 23.247 20.034 0.552 1.00 0.00 H +HETATM 7021 H11S POP D 18 21.927 20.512 1.630 1.00 0.00 H +HETATM 7022 H12R POP D 18 20.302 19.908 -0.384 1.00 0.00 H +HETATM 7023 H12S POP D 18 21.775 19.545 -1.241 1.00 0.00 H +HETATM 7024 H13R POP D 18 20.967 21.726 -1.879 1.00 0.00 H +HETATM 7025 H13S POP D 18 22.576 21.969 -1.188 1.00 0.00 H +HETATM 7026 H14R POP D 18 21.490 22.634 0.934 1.00 0.00 H +HETATM 7027 H14S POP D 18 19.870 22.169 0.247 1.00 0.00 H +HETATM 7028 H15R POP D 18 19.871 24.562 -0.172 1.00 0.00 H +HETATM 7029 H15S POP D 18 20.732 23.951 -1.603 1.00 0.00 H +HETATM 7030 H16R POP D 18 22.896 24.316 -0.742 1.00 0.00 H +HETATM 7031 H16S POP D 18 22.243 24.663 0.911 1.00 0.00 H +HETATM 7032 HX POP D 18 14.709 16.713 11.204 1.00 0.00 H +HETATM 7033 HY POP D 18 14.574 15.560 12.550 1.00 0.00 H +HETATM 7034 H2X POP D 18 12.387 13.623 8.789 1.00 0.00 H +HETATM 7035 H2Y POP D 18 13.872 12.899 9.386 1.00 0.00 H +HETATM 7036 H3X POP D 18 13.562 14.993 7.096 1.00 0.00 H +HETATM 7037 H3Y POP D 18 13.680 13.399 6.872 1.00 0.00 H +HETATM 7038 H4X POP D 18 15.943 13.280 8.162 1.00 0.00 H +HETATM 7039 H4Y POP D 18 16.070 15.018 8.016 1.00 0.00 H +HETATM 7040 H5X POP D 18 16.022 12.809 5.679 1.00 0.00 H +HETATM 7041 H5Y POP D 18 17.383 13.765 6.183 1.00 0.00 H +HETATM 7042 H6X POP D 18 15.898 15.927 5.581 1.00 0.00 H +HETATM 7043 H6Y POP D 18 14.918 14.647 4.857 1.00 0.00 H +HETATM 7044 H7X POP D 18 16.471 13.812 3.438 1.00 0.00 H +HETATM 7045 H7Y POP D 18 17.894 14.882 3.865 1.00 0.00 H +HETATM 7046 H8X POP D 18 17.095 16.766 3.195 1.00 0.00 H +HETATM 7047 H8Y POP D 18 15.403 16.226 2.962 1.00 0.00 H +HETATM 7048 H9X POP D 18 16.056 15.945 0.768 1.00 0.00 H +HETATM 7049 H9Y POP D 18 16.671 14.428 1.304 1.00 0.00 H +HETATM 7050 H10X POP D 18 18.903 15.201 1.841 1.00 0.00 H +HETATM 7051 H10Y POP D 18 18.559 16.893 1.311 1.00 0.00 H +HETATM 7052 H11X POP D 18 18.170 16.119 -1.117 1.00 0.00 H +HETATM 7053 H11Y POP D 18 18.429 14.468 -0.505 1.00 0.00 H +HETATM 7054 H12X POP D 18 20.635 15.130 0.406 1.00 0.00 H +HETATM 7055 H12Y POP D 18 20.478 16.813 -0.257 1.00 0.00 H +HETATM 7056 H13X POP D 18 20.872 16.104 -2.453 1.00 0.00 H +HETATM 7057 H13Y POP D 18 19.949 14.606 -2.188 1.00 0.00 H +HETATM 7058 H14X POP D 18 22.304 14.025 -2.806 1.00 0.00 H +HETATM 7059 H14Y POP D 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POP D 20 -27.038 20.985 3.710 1.00 0.00 H +HETATM 7292 H13R POP D 20 -28.519 21.638 1.491 1.00 0.00 H +HETATM 7293 H13S POP D 20 -28.689 19.911 1.346 1.00 0.00 H +HETATM 7294 H14R POP D 20 -25.955 21.368 1.647 1.00 0.00 H +HETATM 7295 H14S POP D 20 -26.835 20.832 0.057 1.00 0.00 H +HETATM 7296 H15R POP D 20 -26.436 18.467 0.781 1.00 0.00 H +HETATM 7297 H15S POP D 20 -25.788 19.000 2.305 1.00 0.00 H +HETATM 7298 H16R POP D 20 -24.006 18.366 0.799 1.00 0.00 H +HETATM 7299 H16S POP D 20 -23.791 20.033 1.155 1.00 0.00 H +HETATM 7300 HX POP D 20 -34.923 22.286 12.850 1.00 0.00 H +HETATM 7301 HY POP D 20 -35.127 24.084 13.090 1.00 0.00 H +HETATM 7302 H2X POP D 20 -31.485 23.594 10.957 1.00 0.00 H +HETATM 7303 H2Y POP D 20 -31.079 24.951 12.091 1.00 0.00 H +HETATM 7304 H3X POP D 20 -31.072 26.604 10.346 1.00 0.00 H +HETATM 7305 H3Y POP D 20 -32.029 25.383 9.265 1.00 0.00 H +HETATM 7306 H4X POP D 20 -29.641 24.108 9.442 1.00 0.00 H +HETATM 7307 H4Y POP D 20 -29.035 25.518 10.333 1.00 0.00 H 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1.00 0.00 H +HETATM 7325 H13Y POP D 20 -25.534 30.385 3.863 1.00 0.00 H +HETATM 7326 H14X POP D 20 -26.756 31.124 1.731 1.00 0.00 H +HETATM 7327 H14Y POP D 20 -25.242 30.946 0.818 1.00 0.00 H +HETATM 7328 H15X POP D 20 -24.327 32.534 2.806 1.00 0.00 H +HETATM 7329 H15Y POP D 20 -26.153 33.000 2.652 1.00 0.00 H +HETATM 7330 H16X POP D 20 -25.869 33.688 0.182 1.00 0.00 H +HETATM 7331 H16Y POP D 20 -24.295 32.949 0.289 1.00 0.00 H +HETATM 7332 H16Z POP D 20 -24.533 34.448 1.190 1.00 0.00 H +HETATM 7333 H17R POP D 20 -24.554 20.766 -1.173 1.00 0.00 H +HETATM 7334 H17S POP D 20 -25.294 19.154 -1.398 1.00 0.00 H +HETATM 7335 H18R POP D 20 -23.126 18.184 -1.662 1.00 0.00 H +HETATM 7336 H18S POP D 20 -22.355 19.731 -1.024 1.00 0.00 H +HETATM 7337 H18T POP D 20 -23.243 19.703 -2.623 1.00 0.00 H +HETATM 7338 C11 POP D 21 32.221 -23.957 15.544 1.00 0.00 C +HETATM 7339 C14 POP D 21 32.730 -21.832 14.317 1.00 0.00 C +HETATM 7340 C13 POP D 21 31.001 -21.883 15.897 1.00 0.00 C +HETATM 7341 N POP D 21 32.318 -22.471 15.638 1.00 0.00 N +HETATM 7342 C15 POP D 21 33.136 -22.014 16.843 1.00 0.00 C +HETATM 7343 C12 POP D 21 33.237 -20.484 17.240 1.00 0.00 C +HETATM 7344 O1 POP D 21 33.842 -19.651 16.255 1.00 0.00 O +HETATM 7345 P1 POP D 21 33.293 -18.181 15.922 1.00 0.00 P +HETATM 7346 O4 POP D 21 32.225 -17.764 16.871 1.00 0.00 O +HETATM 7347 O3 POP D 21 34.477 -17.235 15.799 1.00 0.00 O +HETATM 7348 O2 POP D 21 32.639 -18.448 14.514 1.00 0.00 O +HETATM 7349 C1 POP D 21 31.581 -17.742 13.923 1.00 0.00 C +HETATM 7350 C2 POP D 21 32.258 -16.830 12.930 1.00 0.00 C +HETATM 7351 O21 POP D 21 31.270 -16.185 12.187 1.00 0.00 O +HETATM 7352 C21 POP D 21 31.483 -14.872 11.962 1.00 0.00 C +HETATM 7353 O22 POP D 21 32.465 -14.210 12.237 1.00 0.00 O +HETATM 7354 C22 POP D 21 30.295 -14.341 11.264 1.00 0.00 C +HETATM 7355 C23 POP D 21 30.680 -14.021 9.859 1.00 0.00 C +HETATM 7356 C24 POP D 21 29.513 -13.352 9.107 1.00 0.00 C +HETATM 7357 C25 POP D 21 29.857 -12.627 7.851 1.00 0.00 C +HETATM 7358 C26 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16.492 1.00 0.00 H +HETATM 7392 H23 POP D 21 33.173 -24.407 15.304 1.00 0.00 H +HETATM 7393 H41 POP D 21 32.827 -20.760 14.410 1.00 0.00 H +HETATM 7394 H42 POP D 21 33.746 -22.099 14.063 1.00 0.00 H +HETATM 7395 H43 POP D 21 32.052 -22.112 13.525 1.00 0.00 H +HETATM 7396 H31 POP D 21 30.626 -22.177 16.867 1.00 0.00 H +HETATM 7397 H32 POP D 21 31.006 -20.804 15.869 1.00 0.00 H +HETATM 7398 H33 POP D 21 30.313 -22.143 15.106 1.00 0.00 H +HETATM 7399 H11 POP D 21 32.794 -22.561 17.710 1.00 0.00 H +HETATM 7400 H12 POP D 21 34.148 -22.344 16.660 1.00 0.00 H +HETATM 7401 H52 POP D 21 33.770 -20.472 18.214 1.00 0.00 H +HETATM 7402 H51 POP D 21 32.186 -20.251 17.516 1.00 0.00 H +HETATM 7403 HA POP D 21 31.024 -17.142 14.674 1.00 0.00 H +HETATM 7404 HB POP D 21 30.853 -18.476 13.517 1.00 0.00 H +HETATM 7405 HS POP D 21 32.867 -16.146 13.559 1.00 0.00 H +HETATM 7406 H2R POP D 21 30.068 -13.367 11.749 1.00 0.00 H +HETATM 7407 H2S POP D 21 29.405 -15.005 11.256 1.00 0.00 H +HETATM 7408 H3R POP D 21 30.868 -14.971 9.315 1.00 0.00 H +HETATM 7409 H3S POP D 21 31.492 -13.263 9.888 1.00 0.00 H +HETATM 7410 H4R POP D 21 29.010 -12.623 9.778 1.00 0.00 H +HETATM 7411 H4S POP D 21 28.837 -14.187 8.823 1.00 0.00 H +HETATM 7412 H5R POP D 21 30.342 -13.264 7.081 1.00 0.00 H +HETATM 7413 H5S POP D 21 30.515 -11.748 8.023 1.00 0.00 H +HETATM 7414 H6R POP D 21 27.868 -11.473 7.653 1.00 0.00 H +HETATM 7415 H6S POP D 21 28.019 -12.955 6.638 1.00 0.00 H +HETATM 7416 H7R POP D 21 29.830 -10.440 6.214 1.00 0.00 H +HETATM 7417 H7S POP D 21 28.070 -10.455 5.931 1.00 0.00 H +HETATM 7418 H8R POP D 21 30.015 -12.728 4.848 1.00 0.00 H +HETATM 7419 H8S POP D 21 30.026 -11.280 3.911 1.00 0.00 H +HETATM 7420 H91 POP D 21 27.242 -11.931 4.644 1.00 0.00 H +HETATM 7421 H101 POP D 21 26.781 -13.796 3.160 1.00 0.00 H +HETATM 7422 H11R POP D 21 29.797 -13.824 2.559 1.00 0.00 H +HETATM 7423 H11S POP D 21 28.703 -14.369 1.429 1.00 0.00 H +HETATM 7424 H12R POP D 21 27.977 -16.323 3.248 1.00 0.00 H +HETATM 7425 H12S POP D 21 29.142 -15.469 4.180 1.00 0.00 H +HETATM 7426 H13R POP D 21 30.933 -15.753 2.485 1.00 0.00 H +HETATM 7427 H13S POP D 21 29.784 -16.589 1.388 1.00 0.00 H +HETATM 7428 H14R POP D 21 29.498 -18.474 3.060 1.00 0.00 H +HETATM 7429 H14S POP D 21 30.454 -17.650 4.262 1.00 0.00 H +HETATM 7430 H15R POP D 21 32.445 -17.905 2.371 1.00 0.00 H +HETATM 7431 H15S POP D 21 31.285 -18.948 1.518 1.00 0.00 H +HETATM 7432 H16R POP D 21 31.201 -20.646 2.934 1.00 0.00 H +HETATM 7433 H16S POP D 21 31.923 -19.896 4.350 1.00 0.00 H +HETATM 7434 HX POP D 21 32.695 -18.540 11.731 1.00 0.00 H +HETATM 7435 HY POP D 21 34.045 -17.980 12.671 1.00 0.00 H +HETATM 7436 H2X POP D 21 35.778 -14.533 10.346 1.00 0.00 H +HETATM 7437 H2Y POP D 21 34.051 -14.681 9.758 1.00 0.00 H +HETATM 7438 H3X POP D 21 35.005 -16.787 8.384 1.00 0.00 H +HETATM 7439 H3Y POP D 21 36.595 -16.088 8.848 1.00 0.00 H +HETATM 7440 H4X POP D 21 36.073 -14.106 7.691 1.00 0.00 H +HETATM 7441 H4Y POP D 21 34.376 -14.432 7.558 1.00 0.00 H 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1.00 0.00 H +HETATM 7459 H13Y POP D 21 36.897 -19.770 -1.668 1.00 0.00 H +HETATM 7460 H14X POP D 21 37.086 -21.753 0.077 1.00 0.00 H +HETATM 7461 H14Y POP D 21 38.813 -21.489 0.137 1.00 0.00 H +HETATM 7462 H15X POP D 21 38.725 -23.348 -1.300 1.00 0.00 H +HETATM 7463 H15Y POP D 21 39.005 -22.105 -2.391 1.00 0.00 H +HETATM 7464 H16X POP D 21 36.626 -22.021 -3.171 1.00 0.00 H +HETATM 7465 H16Y POP D 21 36.137 -22.809 -1.785 1.00 0.00 H +HETATM 7466 H16Z POP D 21 37.045 -23.791 -3.137 1.00 0.00 H +HETATM 7467 H17R POP D 21 33.544 -21.394 3.405 1.00 0.00 H +HETATM 7468 H17S POP D 21 34.061 -19.623 3.285 1.00 0.00 H +HETATM 7469 H18R POP D 21 34.524 -20.988 1.200 1.00 0.00 H +HETATM 7470 H18S POP D 21 33.585 -19.540 0.977 1.00 0.00 H +HETATM 7471 H18T POP D 21 32.659 -21.127 1.009 1.00 0.00 H +HETATM 7472 C11 POP D 22 26.518 -7.111 19.876 1.00 0.00 C +HETATM 7473 C14 POP D 22 25.720 -9.343 19.866 1.00 0.00 C +HETATM 7474 C13 POP D 22 24.303 -7.570 20.575 1.00 0.00 C +HETATM 7475 N POP D 22 25.323 -7.971 19.639 1.00 0.00 N +HETATM 7476 C15 POP D 22 24.809 -7.736 18.173 1.00 0.00 C +HETATM 7477 C12 POP D 22 23.364 -8.209 17.761 1.00 0.00 C +HETATM 7478 O1 POP D 22 23.078 -9.542 18.165 1.00 0.00 O +HETATM 7479 P1 POP D 22 22.941 -10.635 17.006 1.00 0.00 P +HETATM 7480 O4 POP D 22 24.298 -10.942 16.470 1.00 0.00 O +HETATM 7481 O3 POP D 22 22.146 -11.729 17.546 1.00 0.00 O +HETATM 7482 O2 POP D 22 22.087 -9.911 15.837 1.00 0.00 O +HETATM 7483 C1 POP D 22 20.672 -9.510 15.887 1.00 0.00 C +HETATM 7484 C2 POP D 22 19.713 -10.371 15.080 1.00 0.00 C +HETATM 7485 O21 POP D 22 20.157 -10.413 13.724 1.00 0.00 O +HETATM 7486 C21 POP D 22 21.041 -11.348 13.444 1.00 0.00 C +HETATM 7487 O22 POP D 22 21.286 -12.283 14.202 1.00 0.00 O +HETATM 7488 C22 POP D 22 21.543 -11.325 12.047 1.00 0.00 C +HETATM 7489 C23 POP D 22 22.901 -12.010 11.889 1.00 0.00 C +HETATM 7490 C24 POP D 22 23.298 -12.463 10.481 1.00 0.00 C +HETATM 7491 C25 POP D 22 23.234 -11.386 9.368 1.00 0.00 C +HETATM 7492 C26 POP D 22 23.940 -11.756 8.092 1.00 0.00 C +HETATM 7493 C27 POP D 22 24.011 -10.622 7.173 1.00 0.00 C +HETATM 7494 C28 POP D 22 25.304 -10.738 6.315 1.00 0.00 C +HETATM 7495 C29 POP D 22 25.465 -9.652 5.299 1.00 0.00 C +HETATM 7496 C210 POP D 22 25.012 -9.662 4.048 1.00 0.00 C +HETATM 7497 C211 POP D 22 24.427 -10.905 3.474 1.00 0.00 C +HETATM 7498 C212 POP D 22 23.090 -10.643 2.701 1.00 0.00 C +HETATM 7499 C213 POP D 22 21.976 -10.100 3.643 1.00 0.00 C +HETATM 7500 C214 POP D 22 20.519 -10.199 3.109 1.00 0.00 C +HETATM 7501 C215 POP D 22 20.292 -9.345 1.873 1.00 0.00 C +HETATM 7502 C216 POP D 22 18.764 -9.180 1.744 1.00 0.00 C +HETATM 7503 C3 POP D 22 18.309 -9.695 15.211 1.00 0.00 C +HETATM 7504 O31 POP D 22 17.418 -10.732 14.904 1.00 0.00 O +HETATM 7505 C31 POP D 22 16.203 -10.263 14.540 1.00 0.00 C +HETATM 7506 O32 POP D 22 15.926 -9.073 14.502 1.00 0.00 O +HETATM 7507 C32 POP D 22 15.315 -11.383 14.103 1.00 0.00 C +HETATM 7508 C33 POP D 22 13.827 -10.999 13.792 1.00 0.00 C +HETATM 7509 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H +HETATM 7526 H23 POP D 22 26.305 -6.060 19.747 1.00 0.00 H +HETATM 7527 H41 POP D 22 24.896 -10.003 19.637 1.00 0.00 H +HETATM 7528 H42 POP D 22 26.442 -9.705 19.150 1.00 0.00 H +HETATM 7529 H43 POP D 22 26.170 -9.580 20.819 1.00 0.00 H +HETATM 7530 H31 POP D 22 24.118 -6.509 20.490 1.00 0.00 H +HETATM 7531 H32 POP D 22 23.354 -8.047 20.379 1.00 0.00 H +HETATM 7532 H33 POP D 22 24.603 -7.720 21.602 1.00 0.00 H +HETATM 7533 H11 POP D 22 24.750 -6.658 18.175 1.00 0.00 H +HETATM 7534 H12 POP D 22 25.468 -8.013 17.364 1.00 0.00 H +HETATM 7535 H52 POP D 22 23.172 -7.980 16.691 1.00 0.00 H +HETATM 7536 H51 POP D 22 22.599 -7.614 18.305 1.00 0.00 H +HETATM 7537 HA POP D 22 20.592 -8.453 15.555 1.00 0.00 H +HETATM 7538 HB POP D 22 20.367 -9.441 16.953 1.00 0.00 H +HETATM 7539 HS POP D 22 19.741 -11.379 15.546 1.00 0.00 H +HETATM 7540 H2R POP D 22 21.714 -10.267 11.755 1.00 0.00 H +HETATM 7541 H2S POP D 22 20.731 -11.795 11.451 1.00 0.00 H +HETATM 7542 H3R POP D 22 23.068 -12.889 12.547 1.00 0.00 H +HETATM 7543 H3S POP D 22 23.564 -11.219 12.301 1.00 0.00 H +HETATM 7544 H4R POP D 22 22.697 -13.338 10.154 1.00 0.00 H +HETATM 7545 H4S POP D 22 24.332 -12.860 10.576 1.00 0.00 H +HETATM 7546 H5R POP D 22 23.735 -10.473 9.756 1.00 0.00 H +HETATM 7547 H5S POP D 22 22.152 -11.171 9.239 1.00 0.00 H +HETATM 7548 H6R POP D 22 23.410 -12.611 7.621 1.00 0.00 H +HETATM 7549 H6S POP D 22 25.005 -11.945 8.346 1.00 0.00 H +HETATM 7550 H7R POP D 22 24.192 -9.665 7.708 1.00 0.00 H +HETATM 7551 H7S POP D 22 23.077 -10.418 6.607 1.00 0.00 H +HETATM 7552 H8R POP D 22 25.301 -11.729 5.813 1.00 0.00 H +HETATM 7553 H8S POP D 22 26.234 -10.701 6.921 1.00 0.00 H +HETATM 7554 H91 POP D 22 26.082 -8.835 5.702 1.00 0.00 H +HETATM 7555 H101 POP D 22 25.125 -8.800 3.373 1.00 0.00 H +HETATM 7556 H11R POP D 22 24.195 -11.646 4.269 1.00 0.00 H +HETATM 7557 H11S POP D 22 25.176 -11.340 2.778 1.00 0.00 H +HETATM 7558 H12R POP D 22 22.759 -11.622 2.295 1.00 0.00 H +HETATM 7559 H12S POP D 22 23.251 -9.986 1.819 1.00 0.00 H +HETATM 7560 H13R POP D 22 22.188 -9.048 3.933 1.00 0.00 H +HETATM 7561 H13S POP D 22 22.138 -10.714 4.554 1.00 0.00 H +HETATM 7562 H14R POP D 22 19.788 -9.887 3.885 1.00 0.00 H +HETATM 7563 H14S POP D 22 20.481 -11.274 2.830 1.00 0.00 H +HETATM 7564 H15R POP D 22 20.671 -9.935 1.010 1.00 0.00 H +HETATM 7565 H15S POP D 22 20.761 -8.338 1.858 1.00 0.00 H +HETATM 7566 H16R POP D 22 18.378 -8.723 2.680 1.00 0.00 H +HETATM 7567 H16S POP D 22 18.423 -10.236 1.779 1.00 0.00 H +HETATM 7568 HX POP D 22 18.269 -8.770 14.597 1.00 0.00 H +HETATM 7569 HY POP D 22 18.183 -9.387 16.271 1.00 0.00 H +HETATM 7570 H2X POP D 22 15.349 -12.131 14.924 1.00 0.00 H +HETATM 7571 H2Y POP D 22 15.821 -11.754 13.186 1.00 0.00 H +HETATM 7572 H3X POP D 22 13.541 -10.059 14.310 1.00 0.00 H +HETATM 7573 H3Y POP D 22 13.157 -11.764 14.241 1.00 0.00 H +HETATM 7574 H4X POP D 22 14.346 -9.731 12.081 1.00 0.00 H +HETATM 7575 H4Y POP D 22 12.667 -10.283 12.121 1.00 0.00 H +HETATM 7576 H5X POP D 22 15.215 -12.077 11.363 1.00 0.00 H +HETATM 7577 H5Y POP D 22 14.047 -11.195 10.300 1.00 0.00 H +HETATM 7578 H6X POP D 22 12.303 -12.784 10.767 1.00 0.00 H +HETATM 7579 H6Y POP D 22 13.002 -13.344 12.198 1.00 0.00 H +HETATM 7580 H7X POP D 22 14.958 -14.235 10.882 1.00 0.00 H +HETATM 7581 H7Y POP D 22 14.241 -13.695 9.346 1.00 0.00 H +HETATM 7582 H8X POP D 22 12.280 -14.930 9.738 1.00 0.00 H +HETATM 7583 H8Y POP D 22 12.779 -15.777 11.260 1.00 0.00 H +HETATM 7584 H9X POP D 22 13.754 -16.043 8.396 1.00 0.00 H +HETATM 7585 H9Y POP D 22 13.044 -17.303 9.359 1.00 0.00 H +HETATM 7586 H10X POP D 22 15.203 -17.199 10.821 1.00 0.00 H +HETATM 7587 H10Y POP D 22 15.686 -15.848 9.836 1.00 0.00 H +HETATM 7588 H11X POP D 22 15.400 -18.841 8.712 1.00 0.00 H +HETATM 7589 H11Y POP D 22 16.901 -18.087 9.218 1.00 0.00 H +HETATM 7590 H12X POP D 22 16.767 -16.399 7.622 1.00 0.00 H +HETATM 7591 H12Y POP D 22 15.121 -16.751 7.017 1.00 0.00 H +HETATM 7592 H13X POP D 22 16.062 -18.949 5.981 1.00 0.00 H +HETATM 7593 H13Y POP D 22 17.649 -18.616 6.818 1.00 0.00 H +HETATM 7594 H14X POP D 22 17.807 -18.170 4.506 1.00 0.00 H +HETATM 7595 H14Y POP D 22 18.064 -16.652 5.449 1.00 0.00 H +HETATM 7596 H15X POP D 22 16.584 -15.792 3.644 1.00 0.00 H +HETATM 7597 H15Y POP D 22 15.521 -16.244 4.811 1.00 0.00 H +HETATM 7598 H16X POP D 22 16.243 -17.792 2.361 1.00 0.00 H +HETATM 7599 H16Y POP D 22 14.745 -16.827 2.810 1.00 0.00 H +HETATM 7600 H16Z POP D 22 15.097 -18.521 3.477 1.00 0.00 H +HETATM 7601 H17R POP D 22 18.578 -8.566 -0.443 1.00 0.00 H +HETATM 7602 H17S POP D 22 18.490 -7.190 0.781 1.00 0.00 H +HETATM 7603 H18R POP D 22 16.314 -7.407 1.208 1.00 0.00 H +HETATM 7604 H18S POP D 22 16.138 -9.119 0.513 1.00 0.00 H +HETATM 7605 H18T POP D 22 16.476 -7.858 -0.548 1.00 0.00 H +HETATM 7606 C11 POP D 23 25.269 7.150 13.358 1.00 0.00 C +HETATM 7607 C14 POP D 23 26.327 8.394 15.144 1.00 0.00 C +HETATM 7608 C13 POP D 23 24.817 9.509 13.660 1.00 0.00 C +HETATM 7609 N POP D 23 24.999 8.225 14.323 1.00 0.00 N 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POP D 23 19.145 12.679 9.523 1.00 0.00 C +HETATM 7628 C28 POP D 23 20.406 12.395 8.670 1.00 0.00 C +HETATM 7629 C29 POP D 23 20.157 11.564 7.417 1.00 0.00 C +HETATM 7630 C210 POP D 23 19.974 11.944 6.151 1.00 0.00 C +HETATM 7631 C211 POP D 23 19.857 13.312 5.703 1.00 0.00 C +HETATM 7632 C212 POP D 23 21.266 13.895 5.186 1.00 0.00 C +HETATM 7633 C213 POP D 23 21.807 13.080 4.005 1.00 0.00 C +HETATM 7634 C214 POP D 23 22.612 13.887 2.949 1.00 0.00 C +HETATM 7635 C215 POP D 23 23.957 14.375 3.448 1.00 0.00 C +HETATM 7636 C216 POP D 23 24.986 14.907 2.416 1.00 0.00 C +HETATM 7637 C3 POP D 23 18.427 6.002 13.617 1.00 0.00 C +HETATM 7638 O31 POP D 23 18.052 6.248 12.243 1.00 0.00 O +HETATM 7639 C31 POP D 23 19.030 6.487 11.336 1.00 0.00 C +HETATM 7640 O32 POP D 23 20.187 6.827 11.529 1.00 0.00 O +HETATM 7641 C32 POP D 23 18.479 6.132 9.901 1.00 0.00 C +HETATM 7642 C33 POP D 23 18.673 7.397 8.974 1.00 0.00 C +HETATM 7643 C34 POP D 23 17.961 7.140 7.595 1.00 0.00 C +HETATM 7644 C35 POP D 23 16.599 6.508 7.731 1.00 0.00 C +HETATM 7645 C36 POP D 23 15.557 7.149 8.642 1.00 0.00 C +HETATM 7646 C37 POP D 23 14.195 7.167 7.885 1.00 0.00 C +HETATM 7647 C38 POP D 23 14.230 8.373 6.918 1.00 0.00 C +HETATM 7648 C39 POP D 23 13.489 8.058 5.600 1.00 0.00 C +HETATM 7649 C310 POP D 23 14.357 7.194 4.723 1.00 0.00 C +HETATM 7650 C311 POP D 23 13.832 7.029 3.228 1.00 0.00 C +HETATM 7651 C312 POP D 23 13.670 8.340 2.454 1.00 0.00 C +HETATM 7652 C313 POP D 23 13.526 8.098 0.935 1.00 0.00 C +HETATM 7653 C314 POP D 23 13.782 9.370 0.058 1.00 0.00 C +HETATM 7654 C315 POP D 23 13.541 8.924 -1.422 1.00 0.00 C +HETATM 7655 C316 POP D 23 12.113 8.876 -1.819 1.00 0.00 C +HETATM 7656 C217 POP D 23 26.041 13.855 1.960 1.00 0.00 C +HETATM 7657 C218 POP D 23 27.143 14.410 1.124 1.00 0.00 C +HETATM 7658 H21 POP D 23 26.136 7.315 12.736 1.00 0.00 H +HETATM 7659 H22 POP D 23 24.425 6.819 12.771 1.00 0.00 H +HETATM 7660 H23 POP D 23 25.538 6.239 13.870 1.00 0.00 H +HETATM 7661 H41 POP D 23 26.415 7.601 15.872 1.00 0.00 H +HETATM 7662 H42 POP D 23 27.118 8.424 14.410 1.00 0.00 H +HETATM 7663 H43 POP D 23 26.393 9.327 15.683 1.00 0.00 H +HETATM 7664 H31 POP D 23 23.859 9.636 13.177 1.00 0.00 H +HETATM 7665 H32 POP D 23 24.842 10.357 14.328 1.00 0.00 H +HETATM 7666 H33 POP D 23 25.648 9.658 12.987 1.00 0.00 H +HETATM 7667 H11 POP D 23 23.989 6.871 15.605 1.00 0.00 H +HETATM 7668 H12 POP D 23 23.754 8.542 16.023 1.00 0.00 H +HETATM 7669 H52 POP D 23 22.515 7.098 13.700 1.00 0.00 H +HETATM 7670 H51 POP D 23 21.996 8.703 14.368 1.00 0.00 H +HETATM 7671 HA POP D 23 17.677 6.950 16.134 1.00 0.00 H +HETATM 7672 HB POP D 23 19.211 6.137 16.120 1.00 0.00 H +HETATM 7673 HS POP D 23 19.832 7.608 14.034 1.00 0.00 H +HETATM 7674 H2R POP D 23 17.295 11.509 14.000 1.00 0.00 H +HETATM 7675 H2S POP D 23 16.367 10.331 14.871 1.00 0.00 H +HETATM 7676 H3R POP D 23 15.274 10.984 12.565 1.00 0.00 H +HETATM 7677 H3S POP D 23 15.351 9.345 12.883 1.00 0.00 H +HETATM 7678 H4R POP D 23 16.169 9.774 10.593 1.00 0.00 H +HETATM 7679 H4S POP D 23 17.606 9.348 11.294 1.00 0.00 H +HETATM 7680 H5R POP D 23 18.093 11.868 11.885 1.00 0.00 H +HETATM 7681 H5S POP D 23 16.587 12.213 11.038 1.00 0.00 H +HETATM 7682 H6R POP D 23 17.866 11.126 8.952 1.00 0.00 H +HETATM 7683 H6S POP D 23 19.189 10.705 10.185 1.00 0.00 H +HETATM 7684 H7R POP D 23 19.528 13.178 10.439 1.00 0.00 H +HETATM 7685 H7S POP D 23 18.497 13.357 8.927 1.00 0.00 H +HETATM 7686 H8R POP D 23 21.185 11.927 9.310 1.00 0.00 H +HETATM 7687 H8S POP D 23 20.820 13.406 8.468 1.00 0.00 H +HETATM 7688 H91 POP D 23 20.277 10.478 7.544 1.00 0.00 H +HETATM 7689 H101 POP D 23 19.778 11.167 5.397 1.00 0.00 H +HETATM 7690 H11R POP D 23 19.782 14.096 6.486 1.00 0.00 H +HETATM 7691 H11S POP D 23 19.084 13.429 4.914 1.00 0.00 H +HETATM 7692 H12R POP D 23 22.054 13.757 5.956 1.00 0.00 H +HETATM 7693 H12S POP D 23 21.043 14.943 4.892 1.00 0.00 H +HETATM 7694 H13R POP D 23 20.999 12.508 3.502 1.00 0.00 H +HETATM 7695 H13S POP D 23 22.442 12.236 4.352 1.00 0.00 H +HETATM 7696 H14R POP D 23 22.039 14.737 2.522 1.00 0.00 H +HETATM 7697 H14S POP D 23 22.883 13.316 2.035 1.00 0.00 H +HETATM 7698 H15R POP D 23 24.427 13.517 3.976 1.00 0.00 H +HETATM 7699 H15S POP D 23 23.811 14.992 4.361 1.00 0.00 H +HETATM 7700 H16R POP D 23 25.526 15.724 2.939 1.00 0.00 H +HETATM 7701 H16S POP D 23 24.503 15.376 1.532 1.00 0.00 H +HETATM 7702 HX POP D 23 17.665 5.611 14.325 1.00 0.00 H +HETATM 7703 HY POP D 23 19.327 5.353 13.675 1.00 0.00 H +HETATM 7704 H2X POP D 23 17.450 5.756 10.087 1.00 0.00 H +HETATM 7705 H2Y POP D 23 18.999 5.212 9.557 1.00 0.00 H +HETATM 7706 H3X POP D 23 19.715 7.648 8.683 1.00 0.00 H +HETATM 7707 H3Y POP D 23 18.259 8.238 9.570 1.00 0.00 H +HETATM 7708 H4X POP D 23 18.613 6.417 7.061 1.00 0.00 H +HETATM 7709 H4Y POP D 23 17.928 8.093 7.025 1.00 0.00 H +HETATM 7710 H5X POP D 23 16.587 5.426 7.984 1.00 0.00 H +HETATM 7711 H5Y POP D 23 16.357 6.627 6.653 1.00 0.00 H +HETATM 7712 H6X POP D 23 15.861 8.205 8.804 1.00 0.00 H +HETATM 7713 H6Y POP D 23 15.553 6.604 9.611 1.00 0.00 H +HETATM 7714 H7X POP D 23 13.321 7.107 8.567 1.00 0.00 H +HETATM 7715 H7Y POP D 23 14.282 6.188 7.367 1.00 0.00 H +HETATM 7716 H8X POP D 23 15.296 8.509 6.637 1.00 0.00 H +HETATM 7717 H8Y POP D 23 13.893 9.300 7.429 1.00 0.00 H +HETATM 7718 H9X POP D 23 13.216 9.025 5.127 1.00 0.00 H +HETATM 7719 H9Y POP D 23 12.528 7.572 5.872 1.00 0.00 H +HETATM 7720 H10X POP D 23 14.537 6.234 5.253 1.00 0.00 H +HETATM 7721 H10Y POP D 23 15.404 7.558 4.664 1.00 0.00 H +HETATM 7722 H11X POP D 23 12.896 6.431 3.244 1.00 0.00 H +HETATM 7723 H11Y POP D 23 14.460 6.426 2.538 1.00 0.00 H +HETATM 7724 H12X POP D 23 14.611 8.928 2.518 1.00 0.00 H +HETATM 7725 H12Y POP D 23 12.912 8.948 2.993 1.00 0.00 H +HETATM 7726 H13X POP D 23 12.601 7.538 0.679 1.00 0.00 H +HETATM 7727 H13Y POP D 23 14.371 7.423 0.682 1.00 0.00 H +HETATM 7728 H14X POP D 23 14.835 9.707 0.169 1.00 0.00 H +HETATM 7729 H14Y POP D 23 13.030 10.152 0.295 1.00 0.00 H +HETATM 7730 H15X POP D 23 14.058 7.945 -1.519 1.00 0.00 H +HETATM 7731 H15Y POP D 23 14.096 9.695 -1.999 1.00 0.00 H +HETATM 7732 H16X POP D 23 11.498 8.417 -1.016 1.00 0.00 H +HETATM 7733 H16Y POP D 23 11.892 8.322 -2.756 1.00 0.00 H +HETATM 7734 H16Z POP D 23 11.767 9.932 -1.850 1.00 0.00 H +HETATM 7735 H17R POP D 23 25.458 13.114 1.371 1.00 0.00 H +HETATM 7736 H17S POP D 23 26.519 13.311 2.803 1.00 0.00 H +HETATM 7737 H18R POP D 23 27.692 15.215 1.657 1.00 0.00 H +HETATM 7738 H18S POP D 23 26.687 14.777 0.179 1.00 0.00 H +HETATM 7739 H18T POP D 23 27.796 13.580 0.778 1.00 0.00 H +HETATM 7740 C11 POP D 24 27.017 -0.574 20.439 1.00 0.00 C +HETATM 7741 C14 POP D 24 24.893 0.464 20.257 1.00 0.00 C +HETATM 7742 C13 POP D 24 26.848 1.347 19.103 1.00 0.00 C +HETATM 7743 N POP D 24 26.094 0.096 19.484 1.00 0.00 N +HETATM 7744 C15 POP D 24 25.755 -0.781 18.333 1.00 0.00 C +HETATM 7745 C12 POP D 24 26.854 -1.103 17.355 1.00 0.00 C +HETATM 7746 O1 POP D 24 28.116 -1.553 17.859 1.00 0.00 O +HETATM 7747 P1 POP D 24 28.213 -3.161 18.077 1.00 0.00 P +HETATM 7748 O4 POP D 24 29.502 -3.435 18.796 1.00 0.00 O +HETATM 7749 O3 POP D 24 27.009 -3.735 18.750 1.00 0.00 O +HETATM 7750 O2 POP D 24 28.341 -3.642 16.559 1.00 0.00 O +HETATM 7751 C1 POP D 24 29.393 -3.091 15.824 1.00 0.00 C +HETATM 7752 C2 POP D 24 28.916 -2.006 14.844 1.00 0.00 C +HETATM 7753 O21 POP D 24 27.765 -2.519 14.156 1.00 0.00 O +HETATM 7754 C21 POP D 24 27.126 -1.618 13.488 1.00 0.00 C +HETATM 7755 O22 POP D 24 27.329 -0.447 13.443 1.00 0.00 O +HETATM 7756 C22 POP D 24 25.984 -2.273 12.637 1.00 0.00 C +HETATM 7757 C23 POP D 24 26.269 -2.142 11.126 1.00 0.00 C +HETATM 7758 C24 POP D 24 25.039 -2.733 10.408 1.00 0.00 C +HETATM 7759 C25 POP D 24 25.311 -2.678 8.863 1.00 0.00 C +HETATM 7760 C26 POP D 24 24.347 -3.569 8.105 1.00 0.00 C +HETATM 7761 C27 POP D 24 24.517 -3.516 6.520 1.00 0.00 C +HETATM 7762 C28 POP D 24 23.442 -4.125 5.692 1.00 0.00 C +HETATM 7763 C29 POP D 24 23.732 -5.604 5.613 1.00 0.00 C +HETATM 7764 C210 POP D 24 23.795 -6.317 4.544 1.00 0.00 C +HETATM 7765 C211 POP D 24 23.602 -5.869 3.125 1.00 0.00 C +HETATM 7766 C212 POP D 24 22.097 -5.791 2.726 1.00 0.00 C +HETATM 7767 C213 POP D 24 21.883 -5.968 1.164 1.00 0.00 C +HETATM 7768 C214 POP D 24 20.674 -5.078 0.628 1.00 0.00 C +HETATM 7769 C215 POP D 24 20.324 -5.454 -0.799 1.00 0.00 C +HETATM 7770 C216 POP D 24 21.355 -5.111 -1.869 1.00 0.00 C +HETATM 7771 C3 POP D 24 30.052 -1.576 13.894 1.00 0.00 C +HETATM 7772 O31 POP D 24 30.349 -2.660 12.955 1.00 0.00 O +HETATM 7773 C31 POP D 24 31.493 -2.422 12.284 1.00 0.00 C +HETATM 7774 O32 POP D 24 32.214 -1.439 12.511 1.00 0.00 O +HETATM 7775 C32 POP D 24 31.670 -3.456 11.148 1.00 0.00 C +HETATM 7776 C33 POP D 24 33.153 -3.811 11.103 1.00 0.00 C +HETATM 7777 C34 POP D 24 33.712 -4.927 10.177 1.00 0.00 C +HETATM 7778 C35 POP D 24 33.920 -4.505 8.730 1.00 0.00 C +HETATM 7779 C36 POP D 24 34.020 -5.811 7.843 1.00 0.00 C +HETATM 7780 C37 POP D 24 33.807 -5.485 6.314 1.00 0.00 C +HETATM 7781 C38 POP D 24 34.950 -4.546 5.680 1.00 0.00 C +HETATM 7782 C39 POP D 24 34.763 -4.337 4.179 1.00 0.00 C +HETATM 7783 C310 POP D 24 35.891 -3.580 3.418 1.00 0.00 C +HETATM 7784 C311 POP D 24 35.708 -3.520 1.875 1.00 0.00 C +HETATM 7785 C312 POP D 24 36.968 -2.902 1.113 1.00 0.00 C +HETATM 7786 C313 POP D 24 36.817 -2.767 -0.439 1.00 0.00 C +HETATM 7787 C314 POP D 24 37.957 -1.919 -0.995 1.00 0.00 C +HETATM 7788 C315 POP D 24 37.909 -1.618 -2.493 1.00 0.00 C +HETATM 7789 C316 POP D 24 38.978 -0.644 -3.087 1.00 0.00 C +HETATM 7790 C217 POP D 24 21.202 -5.761 -3.200 1.00 0.00 C +HETATM 7791 C218 POP D 24 22.130 -5.099 -4.204 1.00 0.00 C +HETATM 7792 H21 POP D 24 27.425 0.137 21.142 1.00 0.00 H +HETATM 7793 H22 POP D 24 27.834 -0.946 19.839 1.00 0.00 H +HETATM 7794 H23 POP D 24 26.576 -1.377 21.013 1.00 0.00 H +HETATM 7795 H41 POP D 24 24.310 -0.420 20.472 1.00 0.00 H +HETATM 7796 H42 POP D 24 25.180 0.961 21.171 1.00 0.00 H +HETATM 7797 H43 POP D 24 24.229 1.129 19.725 1.00 0.00 H +HETATM 7798 H31 POP D 24 27.297 1.932 19.893 1.00 0.00 H +HETATM 7799 H32 POP D 24 27.633 0.955 18.474 1.00 0.00 H +HETATM 7800 H33 POP D 24 26.306 2.098 18.547 1.00 0.00 H +HETATM 7801 H11 POP D 24 25.242 -1.672 18.665 1.00 0.00 H +HETATM 7802 H12 POP D 24 24.931 -0.305 17.823 1.00 0.00 H +HETATM 7803 H52 POP D 24 27.154 -0.230 16.737 1.00 0.00 H +HETATM 7804 H51 POP D 24 26.357 -1.816 16.664 1.00 0.00 H +HETATM 7805 HA POP D 24 29.905 -3.863 15.211 1.00 0.00 H +HETATM 7806 HB POP D 24 30.239 -2.768 16.468 1.00 0.00 H +HETATM 7807 HS POP D 24 28.641 -1.149 15.495 1.00 0.00 H +HETATM 7808 H2R POP D 24 25.055 -1.784 13.002 1.00 0.00 H +HETATM 7809 H2S POP D 24 25.845 -3.323 12.971 1.00 0.00 H +HETATM 7810 H3R POP D 24 27.196 -2.673 10.823 1.00 0.00 H +HETATM 7811 H3S POP D 24 26.462 -1.089 10.827 1.00 0.00 H +HETATM 7812 H4R POP D 24 24.050 -2.276 10.624 1.00 0.00 H +HETATM 7813 H4S POP D 24 24.985 -3.787 10.756 1.00 0.00 H +HETATM 7814 H5R POP D 24 26.389 -2.897 8.703 1.00 0.00 H +HETATM 7815 H5S POP D 24 25.229 -1.617 8.542 1.00 0.00 H +HETATM 7816 H6R POP D 24 23.294 -3.239 8.234 1.00 0.00 H +HETATM 7817 H6S POP D 24 24.480 -4.611 8.465 1.00 0.00 H +HETATM 7818 H7R POP D 24 25.559 -3.884 6.406 1.00 0.00 H +HETATM 7819 H7S POP D 24 24.527 -2.441 6.244 1.00 0.00 H +HETATM 7820 H8R POP D 24 23.475 -3.647 4.689 1.00 0.00 H +HETATM 7821 H8S POP D 24 22.493 -3.839 6.194 1.00 0.00 H +HETATM 7822 H91 POP D 24 23.696 -6.073 6.607 1.00 0.00 H +HETATM 7823 H101 POP D 24 24.044 -7.387 4.598 1.00 0.00 H +HETATM 7824 H11R POP D 24 24.072 -6.613 2.446 1.00 0.00 H +HETATM 7825 H11S POP D 24 23.892 -4.833 2.849 1.00 0.00 H +HETATM 7826 H12R POP D 24 21.678 -4.823 3.074 1.00 0.00 H +HETATM 7827 H12S POP D 24 21.628 -6.658 3.238 1.00 0.00 H +HETATM 7828 H13R POP D 24 21.716 -7.030 0.887 1.00 0.00 H +HETATM 7829 H13S POP D 24 22.822 -5.676 0.647 1.00 0.00 H +HETATM 7830 H14R POP D 24 20.880 -4.019 0.894 1.00 0.00 H +HETATM 7831 H14S POP D 24 19.833 -5.429 1.264 1.00 0.00 H +HETATM 7832 H15R POP D 24 19.360 -5.054 -1.181 1.00 0.00 H +HETATM 7833 H15S POP D 24 20.209 -6.558 -0.752 1.00 0.00 H +HETATM 7834 H16R POP D 24 22.339 -5.408 -1.448 1.00 0.00 H +HETATM 7835 H16S POP D 24 21.363 -4.007 -1.997 1.00 0.00 H +HETATM 7836 HX POP D 24 30.933 -1.601 14.570 1.00 0.00 H +HETATM 7837 HY POP D 24 29.996 -0.546 13.481 1.00 0.00 H +HETATM 7838 H2X POP D 24 31.271 -2.993 10.220 1.00 0.00 H +HETATM 7839 H2Y POP D 24 31.145 -4.408 11.377 1.00 0.00 H +HETATM 7840 H3X POP D 24 33.498 -3.987 12.144 1.00 0.00 H +HETATM 7841 H3Y POP D 24 33.683 -2.874 10.829 1.00 0.00 H +HETATM 7842 H4X POP D 24 33.102 -5.845 10.317 1.00 0.00 H +HETATM 7843 H4Y POP D 24 34.722 -5.158 10.580 1.00 0.00 H +HETATM 7844 H5X POP D 24 34.841 -3.905 8.572 1.00 0.00 H +HETATM 7845 H5Y POP D 24 33.065 -3.967 8.269 1.00 0.00 H +HETATM 7846 H6X POP D 24 33.260 -6.521 8.233 1.00 0.00 H +HETATM 7847 H6Y POP D 24 34.964 -6.368 8.028 1.00 0.00 H +HETATM 7848 H7X POP D 24 32.848 -4.952 6.137 1.00 0.00 H +HETATM 7849 H7Y POP D 24 33.712 -6.434 5.745 1.00 0.00 H +HETATM 7850 H8X POP D 24 35.959 -4.961 5.890 1.00 0.00 H +HETATM 7851 H8Y POP D 24 34.807 -3.605 6.253 1.00 0.00 H +HETATM 7852 H9X POP D 24 33.800 -3.828 3.960 1.00 0.00 H +HETATM 7853 H9Y POP D 24 34.689 -5.328 3.682 1.00 0.00 H +HETATM 7854 H10X POP D 24 36.854 -4.103 3.603 1.00 0.00 H +HETATM 7855 H10Y POP D 24 36.041 -2.642 3.993 1.00 0.00 H +HETATM 7856 H11X POP D 24 34.828 -2.851 1.760 1.00 0.00 H +HETATM 7857 H11Y POP D 24 35.452 -4.551 1.551 1.00 0.00 H +HETATM 7858 H12X POP D 24 37.890 -3.502 1.270 1.00 0.00 H +HETATM 7859 H12Y POP D 24 37.120 -1.873 1.502 1.00 0.00 H +HETATM 7860 H13X POP D 24 35.804 -2.424 -0.737 1.00 0.00 H +HETATM 7861 H13Y POP D 24 36.875 -3.730 -0.991 1.00 0.00 H +HETATM 7862 H14X POP D 24 38.903 -2.483 -0.845 1.00 0.00 H +HETATM 7863 H14Y POP D 24 38.000 -0.958 -0.439 1.00 0.00 H +HETATM 7864 H15X POP D 24 36.890 -1.414 -2.887 1.00 0.00 H +HETATM 7865 H15Y POP D 24 37.932 -2.645 -2.917 1.00 0.00 H +HETATM 7866 H16X POP D 24 38.850 0.374 -2.661 1.00 0.00 H +HETATM 7867 H16Y POP D 24 38.928 -0.580 -4.195 1.00 0.00 H +HETATM 7868 H16Z POP D 24 40.021 -0.969 -2.886 1.00 0.00 H +HETATM 7869 H17R POP D 24 20.160 -5.555 -3.526 1.00 0.00 H +HETATM 7870 H17S POP D 24 21.261 -6.870 -3.214 1.00 0.00 H +HETATM 7871 H18R POP D 24 21.910 -5.514 -5.210 1.00 0.00 H +HETATM 7872 H18S POP D 24 23.165 -5.396 -3.931 1.00 0.00 H +HETATM 7873 H18T POP D 24 22.134 -3.989 -4.167 1.00 0.00 H +HETATM 7874 C11 POP D 25 29.397 26.927 18.187 1.00 0.00 C +HETATM 7875 C14 POP D 25 31.286 26.250 16.785 1.00 0.00 C +HETATM 7876 C13 POP D 25 29.677 24.489 17.741 1.00 0.00 C +HETATM 7877 N POP D 25 29.879 25.853 17.159 1.00 0.00 N +HETATM 7878 C15 POP D 25 29.047 25.938 15.949 1.00 0.00 C +HETATM 7879 C12 POP D 25 28.285 27.366 15.676 1.00 0.00 C +HETATM 7880 O1 POP D 25 29.223 28.410 15.803 1.00 0.00 O +HETATM 7881 P1 POP D 25 28.727 29.863 15.874 1.00 0.00 P +HETATM 7882 O4 POP D 25 27.687 29.939 16.965 1.00 0.00 O +HETATM 7883 O3 POP D 25 29.859 30.774 16.081 1.00 0.00 O +HETATM 7884 O2 POP D 25 28.019 30.171 14.514 1.00 0.00 O +HETATM 7885 C1 POP D 25 28.837 30.801 13.502 1.00 0.00 C +HETATM 7886 C2 POP D 25 28.505 30.109 12.114 1.00 0.00 C +HETATM 7887 O21 POP D 25 27.067 29.859 11.915 1.00 0.00 O +HETATM 7888 C21 POP D 25 26.436 31.042 11.672 1.00 0.00 C +HETATM 7889 O22 POP D 25 27.070 32.074 11.469 1.00 0.00 O +HETATM 7890 C22 POP D 25 24.989 30.807 11.698 1.00 0.00 C +HETATM 7891 C23 POP D 25 24.377 31.870 10.799 1.00 0.00 C +HETATM 7892 C24 POP D 25 24.083 31.462 9.351 1.00 0.00 C +HETATM 7893 C25 POP D 25 23.556 32.618 8.471 1.00 0.00 C +HETATM 7894 C26 POP D 25 22.046 32.983 8.654 1.00 0.00 C +HETATM 7895 C27 POP D 25 21.091 31.832 8.965 1.00 0.00 C +HETATM 7896 C28 POP D 25 19.659 32.121 9.467 1.00 0.00 C +HETATM 7897 C29 POP D 25 18.877 32.608 8.240 1.00 0.00 C +HETATM 7898 C210 POP D 25 17.557 32.322 8.141 1.00 0.00 C +HETATM 7899 C211 POP D 25 16.621 32.996 7.174 1.00 0.00 C +HETATM 7900 C212 POP D 25 15.433 33.595 7.948 1.00 0.00 C +HETATM 7901 C213 POP D 25 14.570 32.526 8.613 1.00 0.00 C +HETATM 7902 C214 POP D 25 13.986 31.514 7.594 1.00 0.00 C +HETATM 7903 C215 POP D 25 12.933 30.555 8.140 1.00 0.00 C +HETATM 7904 C216 POP D 25 12.495 29.493 7.143 1.00 0.00 C +HETATM 7905 C3 POP D 25 29.221 28.726 11.904 1.00 0.00 C +HETATM 7906 O31 POP D 25 30.614 28.979 11.638 1.00 0.00 O +HETATM 7907 C31 POP D 25 31.210 27.771 11.456 1.00 0.00 C +HETATM 7908 O32 POP D 25 30.697 26.702 11.683 1.00 0.00 O +HETATM 7909 C32 POP D 25 32.610 28.041 10.868 1.00 0.00 C +HETATM 7910 C33 POP D 25 32.746 28.102 9.308 1.00 0.00 C +HETATM 7911 C34 POP D 25 34.146 28.533 8.879 1.00 0.00 C +HETATM 7912 C35 POP D 25 34.547 28.008 7.488 1.00 0.00 C +HETATM 7913 C36 POP D 25 34.975 26.525 7.448 1.00 0.00 C +HETATM 7914 C37 POP D 25 34.979 26.019 6.070 1.00 0.00 C +HETATM 7915 C38 POP D 25 33.579 25.719 5.456 1.00 0.00 C +HETATM 7916 C39 POP D 25 33.698 25.078 4.025 1.00 0.00 C +HETATM 7917 C310 POP D 25 32.383 24.407 3.613 1.00 0.00 C +HETATM 7918 C311 POP D 25 32.294 24.044 2.091 1.00 0.00 C +HETATM 7919 C312 POP D 25 30.995 23.233 1.811 1.00 0.00 C +HETATM 7920 C313 POP D 25 30.720 22.909 0.348 1.00 0.00 C +HETATM 7921 C314 POP D 25 31.777 22.157 -0.362 1.00 0.00 C +HETATM 7922 C315 POP D 25 32.226 20.950 0.446 1.00 0.00 C +HETATM 7923 C316 POP D 25 33.232 20.168 -0.388 1.00 0.00 C +HETATM 7924 C217 POP D 25 11.266 28.641 7.411 1.00 0.00 C +HETATM 7925 C218 POP D 25 9.944 29.351 7.178 1.00 0.00 C +HETATM 7926 H21 POP D 25 29.900 26.642 19.099 1.00 0.00 H +HETATM 7927 H22 POP D 25 28.328 26.800 18.272 1.00 0.00 H +HETATM 7928 H23 POP D 25 29.589 27.947 17.889 1.00 0.00 H +HETATM 7929 H41 POP D 25 31.808 26.355 17.725 1.00 0.00 H +HETATM 7930 H42 POP D 25 31.763 25.524 16.144 1.00 0.00 H +HETATM 7931 H43 POP D 25 31.282 27.196 16.264 1.00 0.00 H +HETATM 7932 H31 POP D 25 29.990 23.719 17.052 1.00 0.00 H +HETATM 7933 H32 POP D 25 30.207 24.491 18.682 1.00 0.00 H +HETATM 7934 H33 POP D 25 28.646 24.262 17.967 1.00 0.00 H +HETATM 7935 H11 POP D 25 29.640 25.610 15.108 1.00 0.00 H +HETATM 7936 H12 POP D 25 28.234 25.228 15.915 1.00 0.00 H +HETATM 7937 H52 POP D 25 27.373 27.522 16.291 1.00 0.00 H +HETATM 7938 H51 POP D 25 27.890 27.313 14.639 1.00 0.00 H +HETATM 7939 HA POP D 25 29.918 30.556 13.585 1.00 0.00 H +HETATM 7940 HB POP D 25 28.696 31.903 13.476 1.00 0.00 H +HETATM 7941 HS POP D 25 28.919 30.659 11.242 1.00 0.00 H +HETATM 7942 H2R POP D 25 24.528 30.878 12.706 1.00 0.00 H +HETATM 7943 H2S POP D 25 24.775 29.729 11.533 1.00 0.00 H +HETATM 7944 H3R POP D 25 24.812 32.878 10.628 1.00 0.00 H +HETATM 7945 H3S POP D 25 23.335 32.091 11.116 1.00 0.00 H +HETATM 7946 H4R POP D 25 23.445 30.565 9.202 1.00 0.00 H +HETATM 7947 H4S POP D 25 25.053 31.184 8.886 1.00 0.00 H +HETATM 7948 H5R POP D 25 23.747 32.354 7.409 1.00 0.00 H +HETATM 7949 H5S POP D 25 24.141 33.533 8.708 1.00 0.00 H +HETATM 7950 H6R POP D 25 21.590 33.468 7.765 1.00 0.00 H +HETATM 7951 H6S POP D 25 22.009 33.627 9.559 1.00 0.00 H +HETATM 7952 H7R POP D 25 21.499 31.262 9.827 1.00 0.00 H +HETATM 7953 H7S POP D 25 21.061 31.080 8.148 1.00 0.00 H +HETATM 7954 H8R POP D 25 19.762 32.827 10.318 1.00 0.00 H +HETATM 7955 H8S POP D 25 19.337 31.151 9.904 1.00 0.00 H +HETATM 7956 H91 POP D 25 19.330 33.420 7.652 1.00 0.00 H +HETATM 7957 H101 POP D 25 17.096 31.676 8.903 1.00 0.00 H +HETATM 7958 H11R POP D 25 16.230 32.466 6.280 1.00 0.00 H +HETATM 7959 H11S POP D 25 17.066 33.838 6.602 1.00 0.00 H +HETATM 7960 H12R POP D 25 14.789 34.037 7.158 1.00 0.00 H +HETATM 7961 H12S POP D 25 15.872 34.382 8.598 1.00 0.00 H +HETATM 7962 H13R POP D 25 13.711 32.965 9.165 1.00 0.00 H +HETATM 7963 H13S POP D 25 15.166 32.002 9.390 1.00 0.00 H +HETATM 7964 H14R POP D 25 14.715 30.840 7.095 1.00 0.00 H +HETATM 7965 H14S POP D 25 13.540 32.183 6.828 1.00 0.00 H +HETATM 7966 H15R POP D 25 12.138 31.291 8.385 1.00 0.00 H +HETATM 7967 H15S POP D 25 13.184 30.054 9.099 1.00 0.00 H +HETATM 7968 H16R POP D 25 13.332 28.801 6.909 1.00 0.00 H +HETATM 7969 H16S POP D 25 12.264 29.958 6.160 1.00 0.00 H +HETATM 7970 HX POP D 25 28.653 28.283 11.058 1.00 0.00 H +HETATM 7971 HY POP D 25 29.133 28.189 12.873 1.00 0.00 H +HETATM 7972 H2X POP D 25 33.252 27.222 11.258 1.00 0.00 H +HETATM 7973 H2Y POP D 25 33.233 28.894 11.211 1.00 0.00 H +HETATM 7974 H3X POP D 25 32.037 28.826 8.853 1.00 0.00 H +HETATM 7975 H3Y POP D 25 32.333 27.136 8.947 1.00 0.00 H +HETATM 7976 H4X POP D 25 34.930 28.125 9.552 1.00 0.00 H +HETATM 7977 H4Y POP D 25 34.111 29.644 8.880 1.00 0.00 H +HETATM 7978 H5X POP D 25 35.313 28.606 6.950 1.00 0.00 H +HETATM 7979 H5Y POP D 25 33.627 28.029 6.865 1.00 0.00 H +HETATM 7980 H6X POP D 25 34.250 25.894 8.006 1.00 0.00 H +HETATM 7981 H6Y POP D 25 35.999 26.428 7.866 1.00 0.00 H +HETATM 7982 H7X POP D 25 35.535 25.065 6.196 1.00 0.00 H +HETATM 7983 H7Y POP D 25 35.521 26.615 5.305 1.00 0.00 H +HETATM 7984 H8X POP D 25 32.947 26.625 5.334 1.00 0.00 H +HETATM 7985 H8Y POP D 25 32.977 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-30.233 -24.999 4.083 1.00 0.00 H +HETATM 8135 H16Y POP D 26 -29.526 -26.243 2.885 1.00 0.00 H +HETATM 8136 H16Z POP D 26 -31.273 -25.960 3.092 1.00 0.00 H +HETATM 8137 H17R POP D 26 -34.280 -27.496 7.663 1.00 0.00 H +HETATM 8138 H17S POP D 26 -35.578 -28.040 6.687 1.00 0.00 H +HETATM 8139 H18R POP D 26 -36.074 -27.597 9.025 1.00 0.00 H +HETATM 8140 H18S POP D 26 -37.154 -26.592 7.870 1.00 0.00 H +HETATM 8141 H18T POP D 26 -35.895 -25.825 8.869 1.00 0.00 H +HETATM 8142 C11 POP D 27 34.704 20.523 17.039 1.00 0.00 C +HETATM 8143 C14 POP D 27 36.417 19.631 15.460 1.00 0.00 C +HETATM 8144 C13 POP D 27 37.092 20.968 17.371 1.00 0.00 C +HETATM 8145 N POP D 27 36.096 19.938 16.889 1.00 0.00 N +HETATM 8146 C15 POP D 27 36.123 18.624 17.664 1.00 0.00 C +HETATM 8147 C12 POP D 27 35.146 17.456 17.302 1.00 0.00 C +HETATM 8148 O1 POP D 27 35.176 17.088 15.924 1.00 0.00 O +HETATM 8149 P1 POP D 27 33.833 16.567 15.318 1.00 0.00 P +HETATM 8150 O4 POP D 27 33.567 15.155 15.829 1.00 0.00 O +HETATM 8151 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18.147 -29.595 -0.820 1.00 0.00 H +HETATM 8372 HX POP D 28 16.585 -26.165 10.979 1.00 0.00 H +HETATM 8373 HY POP D 28 15.307 -25.342 11.714 1.00 0.00 H +HETATM 8374 H2X POP D 28 14.483 -29.114 13.205 1.00 0.00 H +HETATM 8375 H2Y POP D 28 15.928 -30.247 13.238 1.00 0.00 H +HETATM 8376 H3X POP D 28 13.919 -29.622 10.960 1.00 0.00 H +HETATM 8377 H3Y POP D 28 13.987 -31.152 11.857 1.00 0.00 H +HETATM 8378 H4X POP D 28 16.164 -31.806 11.165 1.00 0.00 H +HETATM 8379 H4Y POP D 28 16.388 -30.534 10.116 1.00 0.00 H +HETATM 8380 H5X POP D 28 14.654 -31.027 8.548 1.00 0.00 H +HETATM 8381 H5Y POP D 28 13.653 -31.972 9.695 1.00 0.00 H +HETATM 8382 H6X POP D 28 14.503 -33.958 9.254 1.00 0.00 H +HETATM 8383 H6Y POP D 28 16.200 -33.280 9.423 1.00 0.00 H +HETATM 8384 H7X POP D 28 16.234 -32.950 6.991 1.00 0.00 H +HETATM 8385 H7Y POP D 28 14.453 -32.621 7.037 1.00 0.00 H +HETATM 8386 H8X POP D 28 14.142 -35.114 7.425 1.00 0.00 H +HETATM 8387 H8Y POP D 28 15.881 -35.286 6.981 1.00 0.00 H +HETATM 8388 H9X 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13.762 1.00 0.00 C +HETATM 8422 C2 POP D 29 -6.282 22.527 13.801 1.00 0.00 C +HETATM 8423 O21 POP D 29 -5.686 23.161 12.664 1.00 0.00 O +HETATM 8424 C21 POP D 29 -4.426 23.546 12.989 1.00 0.00 C +HETATM 8425 O22 POP D 29 -3.940 23.493 14.104 1.00 0.00 O +HETATM 8426 C22 POP D 29 -3.708 24.068 11.741 1.00 0.00 C +HETATM 8427 C23 POP D 29 -3.226 23.010 10.730 1.00 0.00 C +HETATM 8428 C24 POP D 29 -2.783 23.508 9.384 1.00 0.00 C +HETATM 8429 C25 POP D 29 -1.726 24.604 9.484 1.00 0.00 C +HETATM 8430 C26 POP D 29 -1.499 25.384 8.154 1.00 0.00 C +HETATM 8431 C27 POP D 29 -0.545 26.565 8.329 1.00 0.00 C +HETATM 8432 C28 POP D 29 -0.432 27.405 7.092 1.00 0.00 C +HETATM 8433 C29 POP D 29 0.317 26.686 6.051 1.00 0.00 C +HETATM 8434 C210 POP D 29 0.033 26.503 4.774 1.00 0.00 C +HETATM 8435 C211 POP D 29 -1.237 27.058 4.114 1.00 0.00 C +HETATM 8436 C212 POP D 29 -2.423 26.155 4.326 1.00 0.00 C +HETATM 8437 C213 POP D 29 -3.701 26.498 3.585 1.00 0.00 C +HETATM 8438 C214 POP D 29 -4.723 25.328 3.527 1.00 0.00 C +HETATM 8439 C215 POP D 29 -5.014 24.494 4.846 1.00 0.00 C +HETATM 8440 C216 POP D 29 -5.797 23.138 4.582 1.00 0.00 C +HETATM 8441 C3 POP D 29 -6.055 21.009 13.825 1.00 0.00 C +HETATM 8442 O31 POP D 29 -6.472 20.460 12.595 1.00 0.00 O +HETATM 8443 C31 POP D 29 -5.559 20.033 11.701 1.00 0.00 C +HETATM 8444 O32 POP D 29 -4.369 19.949 11.972 1.00 0.00 O +HETATM 8445 C32 POP D 29 -6.355 19.785 10.383 1.00 0.00 C +HETATM 8446 C33 POP D 29 -5.432 19.124 9.289 1.00 0.00 C +HETATM 8447 C34 POP D 29 -4.474 20.084 8.564 1.00 0.00 C +HETATM 8448 C35 POP D 29 -3.889 19.490 7.268 1.00 0.00 C +HETATM 8449 C36 POP D 29 -2.893 20.207 6.445 1.00 0.00 C +HETATM 8450 C37 POP D 29 -2.638 19.654 5.069 1.00 0.00 C +HETATM 8451 C38 POP D 29 -2.157 18.209 5.082 1.00 0.00 C +HETATM 8452 C39 POP D 29 -1.547 17.626 3.820 1.00 0.00 C +HETATM 8453 C310 POP D 29 -2.296 17.944 2.569 1.00 0.00 C +HETATM 8454 C311 POP D 29 -1.479 17.594 1.333 1.00 0.00 C +HETATM 8455 C312 POP D 29 -2.286 17.756 0.053 1.00 0.00 C +HETATM 8456 C313 POP D 29 -1.311 17.929 -1.110 1.00 0.00 C +HETATM 8457 C314 POP D 29 -0.836 16.607 -1.806 1.00 0.00 C +HETATM 8458 C315 POP D 29 -0.405 16.854 -3.270 1.00 0.00 C +HETATM 8459 C316 POP D 29 -0.118 15.477 -3.965 1.00 0.00 C +HETATM 8460 C217 POP D 29 -6.042 22.312 5.829 1.00 0.00 C +HETATM 8461 C218 POP D 29 -6.728 20.954 5.543 1.00 0.00 C +HETATM 8462 H21 POP D 29 -14.385 23.131 13.997 1.00 0.00 H +HETATM 8463 H22 POP D 29 -12.729 22.959 13.265 1.00 0.00 H +HETATM 8464 H23 POP D 29 -13.992 23.868 12.536 1.00 0.00 H +HETATM 8465 H41 POP D 29 -14.950 24.903 15.404 1.00 0.00 H +HETATM 8466 H42 POP D 29 -14.086 26.428 15.406 1.00 0.00 H +HETATM 8467 H43 POP D 29 -14.960 25.853 14.011 1.00 0.00 H +HETATM 8468 H31 POP D 29 -12.526 24.888 16.477 1.00 0.00 H +HETATM 8469 H32 POP D 29 -13.312 23.465 16.082 1.00 0.00 H +HETATM 8470 H33 POP D 29 -11.632 23.674 15.524 1.00 0.00 H +HETATM 8471 H11 POP D 29 -12.645 25.948 12.822 1.00 0.00 H +HETATM 8472 H12 POP D 29 -11.782 26.207 14.288 1.00 0.00 H +HETATM 8473 H52 POP D 29 -10.030 25.577 12.846 1.00 0.00 H +HETATM 8474 H51 POP D 29 -10.914 24.128 12.248 1.00 0.00 H +HETATM 8475 HA POP D 29 -8.120 22.901 12.710 1.00 0.00 H +HETATM 8476 HB POP D 29 -8.352 22.153 14.289 1.00 0.00 H +HETATM 8477 HS POP D 29 -5.943 22.845 14.810 1.00 0.00 H +HETATM 8478 H2R POP D 29 -2.836 24.700 12.014 1.00 0.00 H +HETATM 8479 H2S POP D 29 -4.399 24.798 11.268 1.00 0.00 H +HETATM 8480 H3R POP D 29 -3.990 22.206 10.663 1.00 0.00 H +HETATM 8481 H3S POP D 29 -2.352 22.505 11.193 1.00 0.00 H +HETATM 8482 H4R POP D 29 -3.682 23.957 8.911 1.00 0.00 H +HETATM 8483 H4S POP D 29 -2.459 22.666 8.735 1.00 0.00 H +HETATM 8484 H5R POP D 29 -0.783 24.141 9.848 1.00 0.00 H +HETATM 8485 H5S POP D 29 -2.106 25.440 10.109 1.00 0.00 H +HETATM 8486 H6R POP D 29 -2.488 25.716 7.774 1.00 0.00 H +HETATM 8487 H6S POP D 29 -1.009 24.672 7.455 1.00 0.00 H +HETATM 8488 H7R POP D 29 0.450 26.304 8.749 1.00 0.00 H +HETATM 8489 H7S POP D 29 -1.025 27.170 9.127 1.00 0.00 H +HETATM 8490 H8R POP D 29 0.205 28.292 7.294 1.00 0.00 H +HETATM 8491 H8S POP D 29 -1.418 27.707 6.677 1.00 0.00 H +HETATM 8492 H91 POP D 29 1.288 26.338 6.434 1.00 0.00 H +HETATM 8493 H101 POP D 29 0.611 25.797 4.159 1.00 0.00 H +HETATM 8494 H11R POP D 29 -1.107 27.245 3.026 1.00 0.00 H +HETATM 8495 H11S POP D 29 -1.447 28.050 4.569 1.00 0.00 H +HETATM 8496 H12R POP D 29 -2.581 26.183 5.426 1.00 0.00 H +HETATM 8497 H12S POP D 29 -2.018 25.149 4.087 1.00 0.00 H +HETATM 8498 H13R POP D 29 -3.279 26.606 2.563 1.00 0.00 H +HETATM 8499 H13S POP D 29 -4.044 27.516 3.868 1.00 0.00 H +HETATM 8500 H14R POP D 29 -4.290 24.636 2.773 1.00 0.00 H +HETATM 8501 H14S POP D 29 -5.711 25.748 3.244 1.00 0.00 H +HETATM 8502 H15R POP D 29 -5.523 25.220 5.516 1.00 0.00 H +HETATM 8503 H15S POP D 29 -4.091 24.278 5.426 1.00 0.00 H +HETATM 8504 H16R POP D 29 -5.164 22.510 3.919 1.00 0.00 H +HETATM 8505 H16S POP D 29 -6.798 23.351 4.152 1.00 0.00 H +HETATM 8506 HX POP D 29 -6.681 20.575 14.634 1.00 0.00 H +HETATM 8507 HY POP D 29 -4.966 20.841 13.969 1.00 0.00 H +HETATM 8508 H2X POP D 29 -6.922 20.683 10.057 1.00 0.00 H +HETATM 8509 H2Y POP D 29 -7.011 18.934 10.665 1.00 0.00 H +HETATM 8510 H3X POP D 29 -6.036 18.731 8.444 1.00 0.00 H +HETATM 8511 H3Y POP D 29 -4.785 18.349 9.753 1.00 0.00 H +HETATM 8512 H4X POP D 29 -3.706 20.523 9.236 1.00 0.00 H +HETATM 8513 H4Y POP D 29 -5.073 20.961 8.239 1.00 0.00 H +HETATM 8514 H5X POP D 29 -4.671 19.148 6.557 1.00 0.00 H +HETATM 8515 H5Y POP D 29 -3.365 18.544 7.523 1.00 0.00 H +HETATM 8516 H6X POP D 29 -1.918 20.099 6.967 1.00 0.00 H +HETATM 8517 H6Y POP D 29 -3.298 21.239 6.368 1.00 0.00 H +HETATM 8518 H7X POP D 29 -1.822 20.274 4.640 1.00 0.00 H +HETATM 8519 H7Y POP D 29 -3.531 19.699 4.408 1.00 0.00 H +HETATM 8520 H8X POP D 29 -3.115 17.659 5.201 1.00 0.00 H +HETATM 8521 H8Y POP D 29 -1.514 17.920 5.941 1.00 0.00 H +HETATM 8522 H9X POP D 29 -1.442 16.531 3.980 1.00 0.00 H +HETATM 8523 H9Y POP D 29 -0.493 17.931 3.647 1.00 0.00 H +HETATM 8524 H10X POP D 29 -2.440 19.044 2.508 1.00 0.00 H +HETATM 8525 H10Y POP D 29 -3.243 17.368 2.506 1.00 0.00 H +HETATM 8526 H11X POP D 29 -1.072 16.561 1.293 1.00 0.00 H +HETATM 8527 H11Y POP D 29 -0.526 18.164 1.293 1.00 0.00 H +HETATM 8528 H12X POP D 29 -2.798 18.737 0.150 1.00 0.00 H +HETATM 8529 H12Y POP D 29 -3.113 17.034 -0.118 1.00 0.00 H +HETATM 8530 H13X POP D 29 -0.416 18.547 -0.880 1.00 0.00 H +HETATM 8531 H13Y POP D 29 -1.987 18.414 -1.846 1.00 0.00 H +HETATM 8532 H14X POP D 29 -1.597 15.803 -1.901 1.00 0.00 H +HETATM 8533 H14Y POP D 29 0.019 16.125 -1.286 1.00 0.00 H +HETATM 8534 H15X POP D 29 0.472 17.521 -3.413 1.00 0.00 H +HETATM 8535 H15Y POP D 29 -1.241 17.442 -3.707 1.00 0.00 H +HETATM 8536 H16X POP D 29 0.736 15.051 -3.395 1.00 0.00 H +HETATM 8537 H16Y POP D 29 0.187 15.629 -5.022 1.00 0.00 H +HETATM 8538 H16Z POP D 29 -0.922 14.733 -4.148 1.00 0.00 H +HETATM 8539 H17R POP D 29 -6.572 22.957 6.563 1.00 0.00 H +HETATM 8540 H17S POP D 29 -5.010 22.121 6.194 1.00 0.00 H +HETATM 8541 H18R POP D 29 -6.028 20.164 5.198 1.00 0.00 H +HETATM 8542 H18S POP D 29 -7.596 21.053 4.856 1.00 0.00 H +HETATM 8543 H18T POP D 29 -7.168 20.652 6.517 1.00 0.00 H +HETATM 8544 C11 POP D 30 -25.235 7.246 17.775 1.00 0.00 C +HETATM 8545 C14 POP D 30 -25.584 8.386 15.619 1.00 0.00 C +HETATM 8546 C13 POP D 30 -24.560 9.460 17.620 1.00 0.00 C +HETATM 8547 N POP D 30 -24.710 8.179 16.790 1.00 0.00 N +HETATM 8548 C15 POP D 30 -23.304 7.779 16.340 1.00 0.00 C +HETATM 8549 C12 POP D 30 -22.493 8.845 15.523 1.00 0.00 C +HETATM 8550 O1 POP D 30 -22.207 10.130 16.024 1.00 0.00 O +HETATM 8551 P1 POP D 30 -22.610 11.503 15.453 1.00 0.00 P +HETATM 8552 O4 POP D 30 -23.838 11.849 16.166 1.00 0.00 O +HETATM 8553 O3 POP D 30 -21.426 12.395 15.576 1.00 0.00 O +HETATM 8554 O2 POP D 30 -22.908 11.243 13.904 1.00 0.00 O +HETATM 8555 C1 POP D 30 -21.715 11.003 13.160 1.00 0.00 C +HETATM 8556 C2 POP D 30 -22.003 10.187 11.866 1.00 0.00 C +HETATM 8557 O21 POP D 30 -23.331 10.358 11.325 1.00 0.00 O +HETATM 8558 C21 POP D 30 -23.637 11.585 10.950 1.00 0.00 C +HETATM 8559 O22 POP D 30 -22.903 12.547 11.086 1.00 0.00 O +HETATM 8560 C22 POP D 30 -25.010 11.609 10.230 1.00 0.00 C +HETATM 8561 C23 POP D 30 -24.992 11.453 8.720 1.00 0.00 C +HETATM 8562 C24 POP D 30 -23.787 12.190 8.112 1.00 0.00 C +HETATM 8563 C25 POP D 30 -23.736 12.216 6.537 1.00 0.00 C +HETATM 8564 C26 POP D 30 -22.670 13.159 5.896 1.00 0.00 C +HETATM 8565 C27 POP D 30 -21.192 12.808 6.345 1.00 0.00 C +HETATM 8566 C28 POP D 30 -20.179 13.389 5.289 1.00 0.00 C +HETATM 8567 C29 POP D 30 -19.038 12.410 5.120 1.00 0.00 C +HETATM 8568 C210 POP D 30 -17.704 12.780 5.062 1.00 0.00 C +HETATM 8569 C211 POP D 30 -17.267 14.206 5.102 1.00 0.00 C +HETATM 8570 C212 POP D 30 -15.823 14.396 4.585 1.00 0.00 C +HETATM 8571 C213 POP D 30 -15.738 14.577 3.093 1.00 0.00 C +HETATM 8572 C214 POP D 30 -14.265 14.501 2.640 1.00 0.00 C +HETATM 8573 C215 POP D 30 -13.484 13.136 2.596 1.00 0.00 C +HETATM 8574 C216 POP D 30 -12.120 13.287 1.809 1.00 0.00 C +HETATM 8575 C3 POP D 30 -21.621 8.644 11.863 1.00 0.00 C +HETATM 8576 O31 POP D 30 -22.017 7.945 10.707 1.00 0.00 O +HETATM 8577 C31 POP D 30 -23.255 7.421 10.679 1.00 0.00 C +HETATM 8578 O32 POP D 30 -24.062 7.365 11.601 1.00 0.00 O +HETATM 8579 C32 POP D 30 -23.618 7.281 9.220 1.00 0.00 C +HETATM 8580 C33 POP D 30 -25.077 6.888 9.055 1.00 0.00 C +HETATM 8581 C34 POP D 30 -25.413 6.557 7.604 1.00 0.00 C +HETATM 8582 C35 POP D 30 -25.203 7.726 6.585 1.00 0.00 C +HETATM 8583 C36 POP D 30 -25.758 7.363 5.228 1.00 0.00 C +HETATM 8584 C37 POP D 30 -25.064 8.156 4.093 1.00 0.00 C +HETATM 8585 C38 POP D 30 -25.367 9.679 4.006 1.00 0.00 C +HETATM 8586 C39 POP D 30 -24.425 10.119 2.859 1.00 0.00 C +HETATM 8587 C310 POP D 30 -24.757 11.545 2.516 1.00 0.00 C +HETATM 8588 C311 POP D 30 -24.223 11.926 1.119 1.00 0.00 C +HETATM 8589 C312 POP D 30 -25.253 11.764 -0.011 1.00 0.00 C +HETATM 8590 C313 POP D 30 -24.673 12.223 -1.282 1.00 0.00 C +HETATM 8591 C314 POP D 30 -25.698 12.089 -2.521 1.00 0.00 C +HETATM 8592 C315 POP D 30 -26.871 13.002 -2.537 1.00 0.00 C +HETATM 8593 C316 POP D 30 -27.832 12.885 -3.677 1.00 0.00 C +HETATM 8594 C217 POP D 30 -11.087 12.227 2.235 1.00 0.00 C +HETATM 8595 C218 POP D 30 -9.620 12.478 2.010 1.00 0.00 C +HETATM 8596 H21 POP D 30 -25.403 6.283 17.316 1.00 0.00 H +HETATM 8597 H22 POP D 30 -26.180 7.564 18.189 1.00 0.00 H +HETATM 8598 H23 POP D 30 -24.547 7.095 18.595 1.00 0.00 H +HETATM 8599 H41 POP D 30 -25.362 7.597 14.916 1.00 0.00 H +HETATM 8600 H42 POP D 30 -26.589 8.183 15.958 1.00 0.00 H +HETATM 8601 H43 POP D 30 -25.530 9.425 15.330 1.00 0.00 H +HETATM 8602 H31 POP D 30 -24.129 9.182 18.570 1.00 0.00 H +HETATM 8603 H32 POP D 30 -24.065 10.197 17.004 1.00 0.00 H +HETATM 8604 H33 POP D 30 -25.533 9.808 17.936 1.00 0.00 H +HETATM 8605 H11 POP D 30 -22.773 7.576 17.258 1.00 0.00 H +HETATM 8606 H12 POP D 30 -23.435 6.818 15.865 1.00 0.00 H +HETATM 8607 H52 POP D 30 -22.954 8.918 14.514 1.00 0.00 H +HETATM 8608 H51 POP D 30 -21.461 8.440 15.456 1.00 0.00 H +HETATM 8609 HA POP D 30 -21.046 10.346 13.755 1.00 0.00 H +HETATM 8610 HB POP D 30 -21.290 11.957 12.781 1.00 0.00 H +HETATM 8611 HS POP D 30 -21.260 10.553 11.125 1.00 0.00 H +HETATM 8612 H2R POP D 30 -25.281 12.665 10.443 1.00 0.00 H +HETATM 8613 H2S POP D 30 -25.699 10.955 10.807 1.00 0.00 H +HETATM 8614 H3R POP D 30 -25.937 11.885 8.326 1.00 0.00 H +HETATM 8615 H3S POP D 30 -24.956 10.359 8.531 1.00 0.00 H +HETATM 8616 H4R POP D 30 -22.768 11.817 8.352 1.00 0.00 H +HETATM 8617 H4S POP D 30 -23.927 13.191 8.575 1.00 0.00 H +HETATM 8618 H5R POP D 30 -24.715 12.520 6.110 1.00 0.00 H +HETATM 8619 H5S POP D 30 -23.566 11.200 6.119 1.00 0.00 H +HETATM 8620 H6R POP D 30 -22.889 14.195 6.233 1.00 0.00 H +HETATM 8621 H6S POP D 30 -22.669 13.000 4.796 1.00 0.00 H +HETATM 8622 H7R POP D 30 -21.117 11.700 6.370 1.00 0.00 H +HETATM 8623 H7S POP D 30 -20.949 13.186 7.362 1.00 0.00 H +HETATM 8624 H8R POP D 30 -19.933 14.397 5.685 1.00 0.00 H +HETATM 8625 H8S POP D 30 -20.654 13.541 4.296 1.00 0.00 H +HETATM 8626 H91 POP D 30 -19.403 11.373 5.085 1.00 0.00 H +HETATM 8627 H101 POP D 30 -16.902 12.028 5.040 1.00 0.00 H +HETATM 8628 H11R POP D 30 -17.239 14.474 6.180 1.00 0.00 H +HETATM 8629 H11S POP D 30 -18.030 14.904 4.694 1.00 0.00 H +HETATM 8630 H12R POP D 30 -15.173 13.566 4.935 1.00 0.00 H +HETATM 8631 H12S POP D 30 -15.462 15.322 5.083 1.00 0.00 H +HETATM 8632 H13R POP D 30 -16.220 15.545 2.835 1.00 0.00 H +HETATM 8633 H13S POP D 30 -16.356 13.847 2.528 1.00 0.00 H +HETATM 8634 H14R POP D 30 -13.690 15.283 3.183 1.00 0.00 H +HETATM 8635 H14S POP D 30 -14.170 14.867 1.596 1.00 0.00 H +HETATM 8636 H15R POP D 30 -14.092 12.416 2.006 1.00 0.00 H +HETATM 8637 H15S POP D 30 -13.397 12.750 3.634 1.00 0.00 H +HETATM 8638 H16R POP D 30 -11.647 14.292 1.828 1.00 0.00 H +HETATM 8639 H16S POP D 30 -12.416 13.180 0.743 1.00 0.00 H +HETATM 8640 HX POP D 30 -22.030 8.148 12.769 1.00 0.00 H +HETATM 8641 HY POP D 30 -20.519 8.587 11.989 1.00 0.00 H +HETATM 8642 H2X POP D 30 -22.989 6.508 8.731 1.00 0.00 H +HETATM 8643 H2Y POP D 30 -23.496 8.263 8.715 1.00 0.00 H +HETATM 8644 H3X POP D 30 -25.700 7.668 9.542 1.00 0.00 H +HETATM 8645 H3Y POP D 30 -25.311 5.922 9.552 1.00 0.00 H +HETATM 8646 H4X POP D 30 -26.500 6.335 7.554 1.00 0.00 H +HETATM 8647 H4Y POP D 30 -24.734 5.712 7.360 1.00 0.00 H +HETATM 8648 H5X POP D 30 -24.133 8.026 6.583 1.00 0.00 H +HETATM 8649 H5Y POP D 30 -25.809 8.503 7.099 1.00 0.00 H +HETATM 8650 H6X POP D 30 -26.827 7.647 5.115 1.00 0.00 H +HETATM 8651 H6Y POP D 30 -25.534 6.280 5.124 1.00 0.00 H +HETATM 8652 H7X POP D 30 -25.552 7.634 3.242 1.00 0.00 H +HETATM 8653 H7Y POP D 30 -23.978 7.926 4.153 1.00 0.00 H +HETATM 8654 H8X POP D 30 -25.117 10.052 5.023 1.00 0.00 H +HETATM 8655 H8Y POP D 30 -26.450 9.857 3.835 1.00 0.00 H +HETATM 8656 H9X POP D 30 -24.477 9.438 1.982 1.00 0.00 H +HETATM 8657 H9Y POP D 30 -23.360 10.141 3.175 1.00 0.00 H +HETATM 8658 H10X POP D 30 -24.534 12.219 3.371 1.00 0.00 H +HETATM 8659 H10Y POP D 30 -25.864 11.595 2.435 1.00 0.00 H +HETATM 8660 H11X POP D 30 -23.264 11.391 0.949 1.00 0.00 H +HETATM 8661 H11Y POP D 30 -24.021 13.018 1.099 1.00 0.00 H +HETATM 8662 H12X POP D 30 -26.172 12.316 0.283 1.00 0.00 H +HETATM 8663 H12Y POP D 30 -25.486 10.680 -0.066 1.00 0.00 H +HETATM 8664 H13X POP D 30 -23.728 11.696 -1.534 1.00 0.00 H +HETATM 8665 H13Y POP D 30 -24.396 13.297 -1.217 1.00 0.00 H +HETATM 8666 H14X POP D 30 -25.998 11.021 -2.572 1.00 0.00 H +HETATM 8667 H14Y POP D 30 -25.099 12.383 -3.409 1.00 0.00 H +HETATM 8668 H15X POP D 30 -26.497 14.036 -2.375 1.00 0.00 H +HETATM 8669 H15Y POP D 30 -27.459 12.553 -1.709 1.00 0.00 H +HETATM 8670 H16X POP D 30 -27.359 13.259 -4.610 1.00 0.00 H +HETATM 8671 H16Y POP D 30 -28.730 13.506 -3.466 1.00 0.00 H +HETATM 8672 H16Z POP D 30 -28.158 11.834 -3.827 1.00 0.00 H +HETATM 8673 H17R POP D 30 -11.353 11.233 1.815 1.00 0.00 H +HETATM 8674 H17S POP D 30 -11.152 12.176 3.343 1.00 0.00 H +HETATM 8675 H18R POP D 30 -8.832 11.785 2.376 1.00 0.00 H +HETATM 8676 H18S POP D 30 -9.202 13.377 2.511 1.00 0.00 H +HETATM 8677 H18T POP D 30 -9.460 12.497 0.911 1.00 0.00 H +HETATM 8678 C11 POP D 31 -23.928 15.106 16.002 1.00 0.00 C +HETATM 8679 C14 POP D 31 -26.148 14.828 14.977 1.00 0.00 C +HETATM 8680 C13 POP D 31 -25.941 15.150 17.354 1.00 0.00 C +HETATM 8681 N POP D 31 -25.369 15.543 16.031 1.00 0.00 N +HETATM 8682 C15 POP D 31 -25.484 16.983 15.713 1.00 0.00 C +HETATM 8683 C12 POP D 31 -26.751 17.678 16.180 1.00 0.00 C +HETATM 8684 O1 POP D 31 -27.912 17.253 15.317 1.00 0.00 O +HETATM 8685 P1 POP D 31 -28.537 18.342 14.302 1.00 0.00 P +HETATM 8686 O4 POP D 31 -29.903 17.961 14.255 1.00 0.00 O +HETATM 8687 O3 POP D 31 -28.297 19.757 14.678 1.00 0.00 O +HETATM 8688 O2 POP D 31 -27.797 17.946 12.972 1.00 0.00 O +HETATM 8689 C1 POP D 31 -27.694 16.612 12.586 1.00 0.00 C +HETATM 8690 C2 POP D 31 -28.065 16.356 11.098 1.00 0.00 C +HETATM 8691 O21 POP D 31 -27.043 16.891 10.239 1.00 0.00 O +HETATM 8692 C21 POP D 31 -25.801 16.430 10.331 1.00 0.00 C +HETATM 8693 O22 POP D 31 -25.493 15.427 10.965 1.00 0.00 O +HETATM 8694 C22 POP D 31 -24.869 17.252 9.546 1.00 0.00 C +HETATM 8695 C23 POP D 31 -23.609 16.461 9.219 1.00 0.00 C +HETATM 8696 C24 POP D 31 -22.752 17.374 8.354 1.00 0.00 C +HETATM 8697 C25 POP D 31 -21.443 16.801 7.847 1.00 0.00 C +HETATM 8698 C26 POP D 31 -20.370 16.357 8.796 1.00 0.00 C +HETATM 8699 C27 POP D 31 -19.525 17.630 9.400 1.00 0.00 C +HETATM 8700 C28 POP D 31 -18.204 17.279 10.136 1.00 0.00 C +HETATM 8701 C29 POP D 31 -17.219 18.380 10.043 1.00 0.00 C +HETATM 8702 C210 POP D 31 -15.989 18.305 9.397 1.00 0.00 C +HETATM 8703 C211 POP D 31 -15.646 17.231 8.402 1.00 0.00 C +HETATM 8704 C212 POP D 31 -15.295 17.801 7.006 1.00 0.00 C +HETATM 8705 C213 POP D 31 -16.536 18.204 6.212 1.00 0.00 C +HETATM 8706 C214 POP D 31 -16.175 19.037 4.967 1.00 0.00 C +HETATM 8707 C215 POP D 31 -15.070 18.434 4.018 1.00 0.00 C +HETATM 8708 C216 POP D 31 -14.520 19.454 3.026 1.00 0.00 C +HETATM 8709 C3 POP D 31 -29.452 17.014 10.741 1.00 0.00 C +HETATM 8710 O31 POP D 31 -29.827 16.937 9.340 1.00 0.00 O +HETATM 8711 C31 POP D 31 -29.747 18.051 8.637 1.00 0.00 C +HETATM 8712 O32 POP D 31 -29.336 19.179 9.028 1.00 0.00 O +HETATM 8713 C32 POP D 31 -30.164 17.739 7.158 1.00 0.00 C +HETATM 8714 C33 POP D 31 -31.475 18.318 6.522 1.00 0.00 C +HETATM 8715 C34 POP D 31 -31.819 17.687 5.158 1.00 0.00 C +HETATM 8716 C35 POP D 31 -32.941 18.357 4.333 1.00 0.00 C +HETATM 8717 C36 POP D 31 -34.284 17.935 4.786 1.00 0.00 C +HETATM 8718 C37 POP D 31 -35.356 18.736 4.034 1.00 0.00 C +HETATM 8719 C38 POP D 31 -36.758 18.169 4.356 1.00 0.00 C +HETATM 8720 C39 POP D 31 -37.863 19.070 3.816 1.00 0.00 C +HETATM 8721 C310 POP D 31 -39.305 18.597 4.017 1.00 0.00 C +HETATM 8722 C311 POP D 31 -39.564 17.678 5.141 1.00 0.00 C +HETATM 8723 C312 POP D 31 -41.051 17.208 5.181 1.00 0.00 C +HETATM 8724 C313 POP D 31 -41.418 16.227 6.355 1.00 0.00 C +HETATM 8725 C314 POP D 31 -42.809 15.596 6.188 1.00 0.00 C +HETATM 8726 C315 POP D 31 -44.115 16.361 6.182 1.00 0.00 C +HETATM 8727 C316 POP D 31 -44.180 17.435 7.284 1.00 0.00 C +HETATM 8728 C217 POP D 31 -14.106 18.916 1.656 1.00 0.00 C +HETATM 8729 C218 POP D 31 -13.847 19.970 0.644 1.00 0.00 C +HETATM 8730 H21 POP D 31 -23.293 15.649 16.687 1.00 0.00 H +HETATM 8731 H22 POP D 31 -23.512 15.164 15.008 1.00 0.00 H +HETATM 8732 H23 POP D 31 -23.921 14.065 16.288 1.00 0.00 H +HETATM 8733 H41 POP D 31 -27.070 15.372 14.834 1.00 0.00 H +HETATM 8734 H42 POP D 31 -25.484 14.746 14.130 1.00 0.00 H +HETATM 8735 H43 POP D 31 -26.451 13.856 15.338 1.00 0.00 H +HETATM 8736 H31 POP D 31 -27.014 15.107 17.235 1.00 0.00 H +HETATM 8737 H32 POP D 31 -25.469 14.241 17.695 1.00 0.00 H +HETATM 8738 H33 POP D 31 -25.724 15.915 18.084 1.00 0.00 H +HETATM 8739 H11 POP D 31 -24.574 17.321 16.187 1.00 0.00 H +HETATM 8740 H12 POP D 31 -25.374 17.008 14.638 1.00 0.00 H +HETATM 8741 H52 POP D 31 -26.548 18.767 16.271 1.00 0.00 H +HETATM 8742 H51 POP D 31 -27.011 17.252 17.172 1.00 0.00 H +HETATM 8743 HA POP D 31 -28.363 15.948 13.173 1.00 0.00 H +HETATM 8744 HB POP D 31 -26.659 16.266 12.794 1.00 0.00 H +HETATM 8745 HS POP D 31 -28.147 15.255 10.972 1.00 0.00 H +HETATM 8746 H2R POP D 31 -24.500 18.130 10.118 1.00 0.00 H +HETATM 8747 H2S POP D 31 -25.426 17.671 8.681 1.00 0.00 H +HETATM 8748 H3R POP D 31 -23.846 15.566 8.605 1.00 0.00 H +HETATM 8749 H3S POP D 31 -23.063 16.078 10.108 1.00 0.00 H +HETATM 8750 H4R POP D 31 -22.719 18.326 8.927 1.00 0.00 H +HETATM 8751 H4S POP D 31 -23.301 17.788 7.482 1.00 0.00 H +HETATM 8752 H5R POP D 31 -20.972 17.570 7.197 1.00 0.00 H +HETATM 8753 H5S POP D 31 -21.629 15.874 7.264 1.00 0.00 H +HETATM 8754 H6R POP D 31 -19.582 15.883 8.173 1.00 0.00 H +HETATM 8755 H6S POP D 31 -20.794 15.660 9.551 1.00 0.00 H +HETATM 8756 H7R POP D 31 -20.068 18.319 10.082 1.00 0.00 H +HETATM 8757 H7S POP D 31 -19.343 18.135 8.428 1.00 0.00 H +HETATM 8758 H8R POP D 31 -17.873 16.341 9.642 1.00 0.00 H 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11.322 1.00 0.00 H +HETATM 8776 H2X POP D 31 -30.235 16.631 7.114 1.00 0.00 H +HETATM 8777 H2Y POP D 31 -29.373 18.136 6.488 1.00 0.00 H +HETATM 8778 H3X POP D 31 -31.371 19.402 6.302 1.00 0.00 H +HETATM 8779 H3Y POP D 31 -32.327 18.144 7.213 1.00 0.00 H +HETATM 8780 H4X POP D 31 -32.067 16.605 5.208 1.00 0.00 H +HETATM 8781 H4Y POP D 31 -30.854 17.729 4.610 1.00 0.00 H +HETATM 8782 H5X POP D 31 -32.794 18.029 3.282 1.00 0.00 H +HETATM 8783 H5Y POP D 31 -32.954 19.467 4.298 1.00 0.00 H +HETATM 8784 H6X POP D 31 -34.367 18.082 5.884 1.00 0.00 H +HETATM 8785 H6Y POP D 31 -34.307 16.832 4.661 1.00 0.00 H +HETATM 8786 H7X POP D 31 -35.189 18.576 2.948 1.00 0.00 H +HETATM 8787 H7Y POP D 31 -35.303 19.797 4.357 1.00 0.00 H +HETATM 8788 H8X POP D 31 -36.773 18.077 5.464 1.00 0.00 H +HETATM 8789 H8Y POP D 31 -36.847 17.129 3.976 1.00 0.00 H +HETATM 8790 H9X POP D 31 -37.706 19.230 2.728 1.00 0.00 H +HETATM 8791 H9Y POP D 31 -37.741 20.012 4.392 1.00 0.00 H +HETATM 8792 H10X POP D 31 -39.602 18.111 3.063 1.00 0.00 H +HETATM 8793 H10Y POP D 31 -39.967 19.477 3.873 1.00 0.00 H +HETATM 8794 H11X POP D 31 -39.316 18.214 6.082 1.00 0.00 H +HETATM 8795 H11Y POP D 31 -39.040 16.707 5.008 1.00 0.00 H +HETATM 8796 H12X POP D 31 -41.246 16.737 4.193 1.00 0.00 H +HETATM 8797 H12Y POP D 31 -41.688 18.104 5.343 1.00 0.00 H +HETATM 8798 H13X POP D 31 -41.300 16.730 7.339 1.00 0.00 H +HETATM 8799 H13Y POP D 31 -40.664 15.418 6.458 1.00 0.00 H +HETATM 8800 H14X POP D 31 -43.017 14.787 6.920 1.00 0.00 H +HETATM 8801 H14Y POP D 31 -42.683 14.944 5.297 1.00 0.00 H +HETATM 8802 H15X POP D 31 -44.995 15.709 6.368 1.00 0.00 H +HETATM 8803 H15Y POP D 31 -44.286 16.853 5.201 1.00 0.00 H +HETATM 8804 H16X POP D 31 -45.172 17.931 7.353 1.00 0.00 H +HETATM 8805 H16Y POP D 31 -43.470 18.288 7.233 1.00 0.00 H +HETATM 8806 H16Z POP D 31 -43.848 16.878 8.187 1.00 0.00 H +HETATM 8807 H17R POP D 31 -14.997 18.297 1.416 1.00 0.00 H +HETATM 8808 H17S POP D 31 -13.387 18.069 1.680 1.00 0.00 H +HETATM 8809 H18R POP D 31 -14.673 20.711 0.582 1.00 0.00 H +HETATM 8810 H18S POP D 31 -13.849 19.489 -0.357 1.00 0.00 H +HETATM 8811 H18T POP D 31 -12.907 20.533 0.824 1.00 0.00 H +HETATM 8812 C11 POP D 32 -28.897 -3.774 20.719 1.00 0.00 C +HETATM 8813 C14 POP D 32 -27.614 -5.729 21.196 1.00 0.00 C +HETATM 8814 C13 POP D 32 -29.702 -5.978 20.035 1.00 0.00 C +HETATM 8815 N POP D 32 -28.467 -5.076 20.157 1.00 0.00 N +HETATM 8816 C15 POP D 32 -27.746 -5.067 18.775 1.00 0.00 C +HETATM 8817 C12 POP D 32 -28.648 -4.620 17.535 1.00 0.00 C +HETATM 8818 O1 POP D 32 -29.122 -3.272 17.766 1.00 0.00 O +HETATM 8819 P1 POP D 32 -28.232 -2.066 17.409 1.00 0.00 P +HETATM 8820 O4 POP D 32 -28.833 -0.836 17.910 1.00 0.00 O +HETATM 8821 O3 POP D 32 -26.880 -2.358 17.865 1.00 0.00 O +HETATM 8822 O2 POP D 32 -28.140 -2.091 15.816 1.00 0.00 O +HETATM 8823 C1 POP D 32 -29.217 -2.503 15.015 1.00 0.00 C +HETATM 8824 C2 POP D 32 -28.963 -2.071 13.545 1.00 0.00 C +HETATM 8825 O21 POP D 32 -30.103 -2.301 12.711 1.00 0.00 O +HETATM 8826 C21 POP D 32 -31.039 -1.358 12.701 1.00 0.00 C +HETATM 8827 O22 POP D 32 -31.028 -0.269 13.288 1.00 0.00 O +HETATM 8828 C22 POP D 32 -32.301 -1.787 11.892 1.00 0.00 C +HETATM 8829 C23 POP D 32 -32.358 -3.377 11.604 1.00 0.00 C +HETATM 8830 C24 POP D 32 -31.793 -3.703 10.207 1.00 0.00 C +HETATM 8831 C25 POP D 32 -31.662 -5.256 10.011 1.00 0.00 C +HETATM 8832 C26 POP D 32 -30.524 -5.692 8.993 1.00 0.00 C +HETATM 8833 C27 POP D 32 -30.598 -7.200 8.616 1.00 0.00 C +HETATM 8834 C28 POP D 32 -31.830 -7.600 7.750 1.00 0.00 C +HETATM 8835 C29 POP D 32 -31.834 -8.947 7.126 1.00 0.00 C +HETATM 8836 C210 POP D 32 -31.836 -10.104 7.811 1.00 0.00 C +HETATM 8837 C211 POP D 32 -31.990 -10.264 9.336 1.00 0.00 C +HETATM 8838 C212 POP D 32 -30.761 -10.682 10.079 1.00 0.00 C +HETATM 8839 C213 POP D 32 -30.213 -12.052 9.630 1.00 0.00 C +HETATM 8840 C214 POP D 32 -28.819 -12.277 10.072 1.00 0.00 C +HETATM 8841 C215 POP D 32 -27.777 -12.067 8.867 1.00 0.00 C +HETATM 8842 C216 POP D 32 -27.661 -10.654 8.262 1.00 0.00 C +HETATM 8843 C3 POP D 32 -27.699 -2.843 13.016 1.00 0.00 C +HETATM 8844 O31 POP D 32 -27.240 -2.268 11.731 1.00 0.00 O +HETATM 8845 C31 POP D 32 -26.015 -2.571 11.485 1.00 0.00 C +HETATM 8846 O32 POP D 32 -25.343 -3.319 12.182 1.00 0.00 O +HETATM 8847 C32 POP D 32 -25.625 -2.047 10.169 1.00 0.00 C +HETATM 8848 C33 POP D 32 -26.782 -2.238 9.137 1.00 0.00 C +HETATM 8849 C34 POP D 32 -26.377 -1.947 7.722 1.00 0.00 C +HETATM 8850 C35 POP D 32 -27.577 -1.902 6.730 1.00 0.00 C +HETATM 8851 C36 POP D 32 -28.512 -3.102 6.910 1.00 0.00 C +HETATM 8852 C37 POP D 32 -29.650 -3.282 5.863 1.00 0.00 C +HETATM 8853 C38 POP D 32 -30.622 -2.039 5.864 1.00 0.00 C +HETATM 8854 C39 POP D 32 -31.693 -2.007 7.002 1.00 0.00 C +HETATM 8855 C310 POP D 32 -32.608 -0.705 6.974 1.00 0.00 C +HETATM 8856 C311 POP D 32 -33.901 -1.019 7.718 1.00 0.00 C +HETATM 8857 C312 POP D 32 -34.887 0.168 7.586 1.00 0.00 C +HETATM 8858 C313 POP D 32 -35.285 0.483 6.119 1.00 0.00 C +HETATM 8859 C314 POP D 32 -35.601 -0.670 5.166 1.00 0.00 C +HETATM 8860 C315 POP D 32 -36.605 -0.135 4.081 1.00 0.00 C +HETATM 8861 C316 POP D 32 -37.064 -1.098 2.944 1.00 0.00 C +HETATM 8862 C217 POP D 32 -26.398 -10.472 7.447 1.00 0.00 C +HETATM 8863 C218 POP D 32 -26.360 -9.001 6.896 1.00 0.00 C +HETATM 8864 H21 POP D 32 -29.229 -4.008 21.720 1.00 0.00 H +HETATM 8865 H22 POP D 32 -29.671 -3.312 20.124 1.00 0.00 H +HETATM 8866 H23 POP D 32 -28.133 -3.022 20.855 1.00 0.00 H +HETATM 8867 H41 POP D 32 -27.176 -6.648 20.837 1.00 0.00 H +HETATM 8868 H42 POP D 32 -26.805 -5.059 21.448 1.00 0.00 H +HETATM 8869 H43 POP D 32 -28.194 -5.931 22.085 1.00 0.00 H +HETATM 8870 H31 POP D 32 -29.523 -6.885 19.477 1.00 0.00 H +HETATM 8871 H32 POP D 32 -30.071 -6.248 21.013 1.00 0.00 H +HETATM 8872 H33 POP D 32 -30.533 -5.456 19.584 1.00 0.00 H +HETATM 8873 H11 POP D 32 -26.994 -4.292 18.792 1.00 0.00 H +HETATM 8874 H12 POP D 32 -27.416 -6.067 18.533 1.00 0.00 H +HETATM 8875 H52 POP D 32 -29.488 -5.329 17.375 1.00 0.00 H 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1.00 0.00 H +HETATM 8893 H8S POP D 32 -32.699 -7.489 8.433 1.00 0.00 H +HETATM 8894 H91 POP D 32 -31.876 -8.927 6.027 1.00 0.00 H +HETATM 8895 H101 POP D 32 -31.803 -11.081 7.306 1.00 0.00 H +HETATM 8896 H11R POP D 32 -32.696 -11.121 9.373 1.00 0.00 H +HETATM 8897 H11S POP D 32 -32.478 -9.345 9.727 1.00 0.00 H +HETATM 8898 H12R POP D 32 -31.054 -10.718 11.150 1.00 0.00 H +HETATM 8899 H12S POP D 32 -30.011 -9.901 9.830 1.00 0.00 H +HETATM 8900 H13R POP D 32 -30.257 -12.368 8.565 1.00 0.00 H +HETATM 8901 H13S POP D 32 -30.808 -12.800 10.195 1.00 0.00 H +HETATM 8902 H14R POP D 32 -28.670 -13.315 10.440 1.00 0.00 H +HETATM 8903 H14S POP D 32 -28.485 -11.533 10.828 1.00 0.00 H +HETATM 8904 H15R POP D 32 -28.018 -12.715 7.997 1.00 0.00 H +HETATM 8905 H15S POP D 32 -26.748 -12.385 9.140 1.00 0.00 H +HETATM 8906 H16R POP D 32 -27.739 -9.878 9.054 1.00 0.00 H +HETATM 8907 H16S POP D 32 -28.535 -10.547 7.585 1.00 0.00 H +HETATM 8908 HX POP D 32 -27.992 -3.898 12.825 1.00 0.00 H +HETATM 8909 HY POP D 32 -26.956 -2.819 13.841 1.00 0.00 H +HETATM 8910 H2X POP D 32 -24.799 -2.714 9.841 1.00 0.00 H +HETATM 8911 H2Y POP D 32 -25.408 -0.967 10.309 1.00 0.00 H +HETATM 8912 H3X POP D 32 -27.668 -1.590 9.307 1.00 0.00 H +HETATM 8913 H3Y POP D 32 -27.200 -3.250 9.326 1.00 0.00 H +HETATM 8914 H4X POP D 32 -25.708 -2.757 7.361 1.00 0.00 H +HETATM 8915 H4Y POP D 32 -25.867 -0.964 7.632 1.00 0.00 H +HETATM 8916 H5X POP D 32 -27.212 -1.834 5.683 1.00 0.00 H +HETATM 8917 H5Y POP D 32 -28.163 -0.978 6.922 1.00 0.00 H +HETATM 8918 H6X POP D 32 -28.970 -3.020 7.919 1.00 0.00 H +HETATM 8919 H6Y POP D 32 -27.878 -4.012 6.973 1.00 0.00 H +HETATM 8920 H7X POP D 32 -30.283 -4.183 6.016 1.00 0.00 H +HETATM 8921 H7Y POP D 32 -29.151 -3.317 4.871 1.00 0.00 H +HETATM 8922 H8X POP D 32 -31.138 -1.961 4.883 1.00 0.00 H +HETATM 8923 H8Y POP D 32 -30.035 -1.097 5.917 1.00 0.00 H +HETATM 8924 H9X POP D 32 -31.165 -1.930 7.976 1.00 0.00 H +HETATM 8925 H9Y POP D 32 -32.293 -2.941 7.048 1.00 0.00 H +HETATM 8926 H10X POP D 32 -32.924 -0.668 5.910 1.00 0.00 H +HETATM 8927 H10Y POP D 32 -32.058 0.208 7.287 1.00 0.00 H +HETATM 8928 H11X POP D 32 -33.667 -1.214 8.786 1.00 0.00 H +HETATM 8929 H11Y POP D 32 -34.297 -1.978 7.321 1.00 0.00 H +HETATM 8930 H12X POP D 32 -34.488 1.117 8.004 1.00 0.00 H +HETATM 8931 H12Y POP D 32 -35.783 -0.122 8.176 1.00 0.00 H +HETATM 8932 H13X POP D 32 -34.418 1.091 5.783 1.00 0.00 H +HETATM 8933 H13Y POP D 32 -36.177 1.145 6.080 1.00 0.00 H +HETATM 8934 H14X POP D 32 -36.064 -1.469 5.784 1.00 0.00 H +HETATM 8935 H14Y POP D 32 -34.658 -0.982 4.669 1.00 0.00 H +HETATM 8936 H15X POP D 32 -36.100 0.720 3.583 1.00 0.00 H +HETATM 8937 H15Y POP D 32 -37.507 0.316 4.547 1.00 0.00 H +HETATM 8938 H16X POP D 32 -37.622 -1.987 3.310 1.00 0.00 H +HETATM 8939 H16Y POP D 32 -36.167 -1.344 2.336 1.00 0.00 H +HETATM 8940 H16Z POP D 32 -37.830 -0.588 2.323 1.00 0.00 H +HETATM 8941 H17R POP D 32 -26.478 -11.154 6.574 1.00 0.00 H +HETATM 8942 H17S POP D 32 -25.455 -10.578 8.025 1.00 0.00 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-19.566 -6.527 5.029 1.00 0.00 C +HETATM 8977 C3 POP D 33 -34.796 -6.329 14.563 1.00 0.00 C +HETATM 8978 O31 POP D 33 -34.611 -6.790 13.221 1.00 0.00 O +HETATM 8979 C31 POP D 33 -35.080 -8.047 12.931 1.00 0.00 C +HETATM 8980 O32 POP D 33 -35.482 -8.797 13.797 1.00 0.00 O +HETATM 8981 C32 POP D 33 -35.064 -8.370 11.467 1.00 0.00 C +HETATM 8982 C33 POP D 33 -35.046 -9.844 11.131 1.00 0.00 C +HETATM 8983 C34 POP D 33 -35.310 -10.032 9.641 1.00 0.00 C +HETATM 8984 C35 POP D 33 -36.599 -9.541 9.090 1.00 0.00 C +HETATM 8985 C36 POP D 33 -36.796 -9.935 7.679 1.00 0.00 C +HETATM 8986 C37 POP D 33 -35.843 -9.546 6.492 1.00 0.00 C +HETATM 8987 C38 POP D 33 -36.335 -9.923 5.084 1.00 0.00 C +HETATM 8988 C39 POP D 33 -35.540 -9.251 4.000 1.00 0.00 C +HETATM 8989 C310 POP D 33 -34.143 -9.865 3.947 1.00 0.00 C +HETATM 8990 C311 POP D 33 -33.391 -9.478 2.656 1.00 0.00 C +HETATM 8991 C312 POP D 33 -33.255 -7.977 2.454 1.00 0.00 C +HETATM 8992 C313 POP D 33 -32.300 -7.249 3.425 1.00 0.00 C +HETATM 8993 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3.173 1.00 0.00 H +HETATM 9441 H15S POP D 36 -14.035 -21.188 3.215 1.00 0.00 H +HETATM 9442 H16R POP D 36 -12.800 -22.881 1.738 1.00 0.00 H +HETATM 9443 H16S POP D 36 -11.435 -21.728 1.722 1.00 0.00 H +HETATM 9444 HX POP D 36 -17.105 -29.158 14.621 1.00 0.00 H +HETATM 9445 HY POP D 36 -15.766 -30.376 14.558 1.00 0.00 H +HETATM 9446 H2X POP D 36 -15.045 -29.517 10.541 1.00 0.00 H +HETATM 9447 H2Y POP D 36 -14.722 -27.942 11.385 1.00 0.00 H +HETATM 9448 H3X POP D 36 -17.141 -27.281 10.818 1.00 0.00 H +HETATM 9449 H3Y POP D 36 -17.630 -28.735 10.107 1.00 0.00 H +HETATM 9450 H4X POP D 36 -16.099 -28.256 8.066 1.00 0.00 H +HETATM 9451 H4Y POP D 36 -15.597 -26.779 8.924 1.00 0.00 H +HETATM 9452 H5X POP D 36 -17.308 -26.369 7.268 1.00 0.00 H +HETATM 9453 H5Y POP D 36 -18.052 -26.130 8.785 1.00 0.00 H +HETATM 9454 H6X POP D 36 -19.216 -28.403 8.504 1.00 0.00 H +HETATM 9455 H6Y POP D 36 -18.105 -28.766 7.161 1.00 0.00 H +HETATM 9456 H7X POP D 36 -19.297 -26.455 6.252 1.00 0.00 H +HETATM 9457 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0.00 C +HETATM 9507 C211 POP D 37 -14.368 29.340 0.110 1.00 0.00 C +HETATM 9508 C212 POP D 37 -13.347 30.461 0.183 1.00 0.00 C +HETATM 9509 C213 POP D 37 -13.300 31.422 -1.059 1.00 0.00 C +HETATM 9510 C214 POP D 37 -12.654 30.931 -2.405 1.00 0.00 C +HETATM 9511 C215 POP D 37 -11.265 30.282 -2.348 1.00 0.00 C +HETATM 9512 C216 POP D 37 -10.690 29.990 -3.718 1.00 0.00 C +HETATM 9513 C3 POP D 37 -15.553 21.947 9.394 1.00 0.00 C +HETATM 9514 O31 POP D 37 -14.625 22.773 8.659 1.00 0.00 O +HETATM 9515 C31 POP D 37 -13.686 23.571 9.251 1.00 0.00 C +HETATM 9516 O32 POP D 37 -13.423 23.400 10.476 1.00 0.00 O +HETATM 9517 C32 POP D 37 -13.185 24.641 8.298 1.00 0.00 C +HETATM 9518 C33 POP D 37 -12.288 24.074 7.094 1.00 0.00 C +HETATM 9519 C34 POP D 37 -11.216 23.123 7.555 1.00 0.00 C +HETATM 9520 C35 POP D 37 -10.120 23.952 8.238 1.00 0.00 C +HETATM 9521 C36 POP D 37 -8.779 23.197 8.391 1.00 0.00 C +HETATM 9522 C37 POP D 37 -7.705 24.047 9.138 1.00 0.00 C +HETATM 9523 C38 POP D 37 -7.343 25.342 8.489 1.00 0.00 C +HETATM 9524 C39 POP D 37 -6.334 26.135 9.349 1.00 0.00 C +HETATM 9525 C310 POP D 37 -6.072 27.472 8.756 1.00 0.00 C +HETATM 9526 C311 POP D 37 -5.300 27.346 7.391 1.00 0.00 C +HETATM 9527 C312 POP D 37 -4.626 28.580 6.861 1.00 0.00 C +HETATM 9528 C313 POP D 37 -5.435 29.505 5.949 1.00 0.00 C +HETATM 9529 C314 POP D 37 -6.547 30.403 6.469 1.00 0.00 C +HETATM 9530 C315 POP D 37 -7.196 31.385 5.467 1.00 0.00 C +HETATM 9531 C316 POP D 37 -8.344 32.106 5.949 1.00 0.00 C +HETATM 9532 C217 POP D 37 -9.179 29.698 -3.692 1.00 0.00 C +HETATM 9533 C218 POP D 37 -8.281 30.894 -3.779 1.00 0.00 C +HETATM 9534 H21 POP D 37 -20.090 23.457 14.831 1.00 0.00 H +HETATM 9535 H22 POP D 37 -21.608 24.223 15.363 1.00 0.00 H +HETATM 9536 H23 POP D 37 -21.124 24.121 13.668 1.00 0.00 H +HETATM 9537 H41 POP D 37 -21.055 22.364 16.467 1.00 0.00 H +HETATM 9538 H42 POP D 37 -22.601 21.637 16.207 1.00 0.00 H +HETATM 9539 H43 POP D 37 -21.249 20.630 15.863 1.00 0.00 H +HETATM 9540 H31 POP D 37 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0.00 H +HETATM 9591 H7Y POP D 37 -8.217 24.293 10.093 1.00 0.00 H +HETATM 9592 H8X POP D 37 -8.284 25.929 8.426 1.00 0.00 H +HETATM 9593 H8Y POP D 37 -6.824 25.066 7.546 1.00 0.00 H +HETATM 9594 H9X POP D 37 -5.454 25.459 9.406 1.00 0.00 H +HETATM 9595 H9Y POP D 37 -6.718 26.306 10.377 1.00 0.00 H +HETATM 9596 H10X POP D 37 -5.606 28.220 9.432 1.00 0.00 H +HETATM 9597 H10Y POP D 37 -7.063 27.856 8.431 1.00 0.00 H +HETATM 9598 H11X POP D 37 -5.986 26.918 6.630 1.00 0.00 H +HETATM 9599 H11Y POP D 37 -4.508 26.592 7.591 1.00 0.00 H +HETATM 9600 H12X POP D 37 -3.712 28.230 6.334 1.00 0.00 H +HETATM 9601 H12Y POP D 37 -4.288 29.286 7.649 1.00 0.00 H +HETATM 9602 H13X POP D 37 -5.911 28.904 5.144 1.00 0.00 H +HETATM 9603 H13Y POP D 37 -4.709 30.190 5.462 1.00 0.00 H +HETATM 9604 H14X POP D 37 -6.193 30.930 7.381 1.00 0.00 H +HETATM 9605 H14Y POP D 37 -7.425 29.906 6.933 1.00 0.00 H +HETATM 9606 H15X POP D 37 -7.484 30.845 4.540 1.00 0.00 H +HETATM 9607 H15Y POP D 37 -6.379 32.115 5.279 1.00 0.00 H +HETATM 9608 H16X POP D 37 -9.138 31.392 6.254 1.00 0.00 H +HETATM 9609 H16Y POP D 37 -8.790 32.750 5.161 1.00 0.00 H +HETATM 9610 H16Z POP D 37 -8.103 32.857 6.731 1.00 0.00 H +HETATM 9611 H17R POP D 37 -8.887 29.137 -4.605 1.00 0.00 H +HETATM 9612 H17S POP D 37 -9.015 29.017 -2.830 1.00 0.00 H +HETATM 9613 H18R POP D 37 -8.487 31.522 -4.672 1.00 0.00 H +HETATM 9614 H18S POP D 37 -7.211 30.604 -3.708 1.00 0.00 H +HETATM 9615 H18T POP D 37 -8.489 31.527 -2.891 1.00 0.00 H +HETATM 9616 C11 POP D 38 -16.078 23.904 19.678 1.00 0.00 C +HETATM 9617 C14 POP D 38 -13.776 23.822 18.918 1.00 0.00 C +HETATM 9618 C13 POP D 38 -14.377 24.346 21.257 1.00 0.00 C +HETATM 9619 N POP D 38 -14.744 23.497 20.078 1.00 0.00 N +HETATM 9620 C15 POP D 38 -14.776 22.065 20.535 1.00 0.00 C +HETATM 9621 C12 POP D 38 -13.397 21.492 21.050 1.00 0.00 C +HETATM 9622 O1 POP D 38 -12.463 21.468 19.961 1.00 0.00 O +HETATM 9623 P1 POP D 38 -12.538 20.357 18.881 1.00 0.00 P +HETATM 9624 O4 POP D 38 -11.994 19.083 19.437 1.00 0.00 O +HETATM 9625 O3 POP D 38 -13.937 20.320 18.295 1.00 0.00 O +HETATM 9626 O2 POP D 38 -11.552 20.888 17.670 1.00 0.00 O +HETATM 9627 C1 POP D 38 -11.995 20.534 16.349 1.00 0.00 C +HETATM 9628 C2 POP D 38 -11.649 19.120 15.937 1.00 0.00 C +HETATM 9629 O21 POP D 38 -10.341 19.164 15.313 1.00 0.00 O +HETATM 9630 C21 POP D 38 -9.702 17.989 15.352 1.00 0.00 C +HETATM 9631 O22 POP D 38 -10.078 16.969 15.897 1.00 0.00 O +HETATM 9632 C22 POP D 38 -8.353 18.309 14.653 1.00 0.00 C +HETATM 9633 C23 POP D 38 -7.833 17.122 13.696 1.00 0.00 C +HETATM 9634 C24 POP D 38 -8.853 16.865 12.549 1.00 0.00 C +HETATM 9635 C25 POP D 38 -8.346 15.836 11.580 1.00 0.00 C +HETATM 9636 C26 POP D 38 -9.182 15.801 10.341 1.00 0.00 C +HETATM 9637 C27 POP D 38 -8.801 14.705 9.297 1.00 0.00 C +HETATM 9638 C28 POP D 38 -7.434 14.968 8.763 1.00 0.00 C +HETATM 9639 C29 POP D 38 -7.481 16.198 7.779 1.00 0.00 C +HETATM 9640 C210 POP D 38 -6.982 16.254 6.535 1.00 0.00 C +HETATM 9641 C211 POP D 38 -6.542 15.047 5.754 1.00 0.00 C +HETATM 9642 C212 POP D 38 -5.689 15.533 4.565 1.00 0.00 C +HETATM 9643 C213 POP D 38 -5.139 14.371 3.718 1.00 0.00 C +HETATM 9644 C214 POP D 38 -4.180 14.705 2.454 1.00 0.00 C +HETATM 9645 C215 POP D 38 -4.176 13.614 1.316 1.00 0.00 C +HETATM 9646 C216 POP D 38 -3.294 14.064 0.102 1.00 0.00 C +HETATM 9647 C3 POP D 38 -12.849 18.509 15.102 1.00 0.00 C +HETATM 9648 O31 POP D 38 -13.222 19.303 13.989 1.00 0.00 O +HETATM 9649 C31 POP D 38 -12.551 18.997 12.863 1.00 0.00 C +HETATM 9650 O32 POP D 38 -11.599 18.220 12.773 1.00 0.00 O +HETATM 9651 C32 POP D 38 -13.074 19.829 11.734 1.00 0.00 C +HETATM 9652 C33 POP D 38 -11.998 20.179 10.657 1.00 0.00 C +HETATM 9653 C34 POP D 38 -11.535 18.990 9.780 1.00 0.00 C +HETATM 9654 C35 POP D 38 -11.087 19.633 8.467 1.00 0.00 C +HETATM 9655 C36 POP D 38 -10.407 18.602 7.540 1.00 0.00 C +HETATM 9656 C37 POP D 38 -11.391 17.678 6.986 1.00 0.00 C +HETATM 9657 C38 POP D 38 -10.798 16.462 6.189 1.00 0.00 C +HETATM 9658 C39 POP D 38 -10.084 16.923 4.925 1.00 0.00 C +HETATM 9659 C310 POP D 38 -11.108 17.303 3.879 1.00 0.00 C +HETATM 9660 C311 POP D 38 -10.533 18.070 2.684 1.00 0.00 C +HETATM 9661 C312 POP D 38 -10.473 19.540 2.974 1.00 0.00 C +HETATM 9662 C313 POP D 38 -9.953 20.314 1.768 1.00 0.00 C +HETATM 9663 C314 POP D 38 -10.096 21.818 2.229 1.00 0.00 C +HETATM 9664 C315 POP D 38 -9.688 22.760 1.124 1.00 0.00 C +HETATM 9665 C316 POP D 38 -8.207 23.052 1.103 1.00 0.00 C +HETATM 9666 C217 POP D 38 -3.154 12.889 -0.819 1.00 0.00 C +HETATM 9667 C218 POP D 38 -2.435 13.191 -2.146 1.00 0.00 C +HETATM 9668 H21 POP D 38 -16.116 24.966 19.485 1.00 0.00 H +HETATM 9669 H22 POP D 38 -16.767 23.858 20.508 1.00 0.00 H +HETATM 9670 H23 POP D 38 -16.572 23.414 18.851 1.00 0.00 H +HETATM 9671 H41 POP D 38 -12.779 23.894 19.325 1.00 0.00 H +HETATM 9672 H42 POP D 38 -13.828 22.980 18.243 1.00 0.00 H +HETATM 9673 H43 POP D 38 -14.118 24.721 18.428 1.00 0.00 H +HETATM 9674 H31 POP D 38 -15.003 24.051 22.085 1.00 0.00 H +HETATM 9675 H32 POP D 38 -13.341 24.102 21.440 1.00 0.00 H +HETATM 9676 H33 POP D 38 -14.441 25.361 20.892 1.00 0.00 H +HETATM 9677 H11 POP D 38 -15.397 22.046 21.418 1.00 0.00 H +HETATM 9678 H12 POP D 38 -15.108 21.442 19.718 1.00 0.00 H +HETATM 9679 H52 POP D 38 -13.554 20.526 21.576 1.00 0.00 H +HETATM 9680 H51 POP D 38 -13.057 22.259 21.778 1.00 0.00 H +HETATM 9681 HA POP D 38 -11.422 21.187 15.656 1.00 0.00 H +HETATM 9682 HB POP D 38 -13.070 20.767 16.196 1.00 0.00 H +HETATM 9683 HS POP D 38 -11.578 18.543 16.884 1.00 0.00 H +HETATM 9684 H2R POP D 38 -7.596 18.483 15.447 1.00 0.00 H +HETATM 9685 H2S POP D 38 -8.413 19.291 14.137 1.00 0.00 H +HETATM 9686 H3R POP D 38 -7.643 16.283 14.399 1.00 0.00 H +HETATM 9687 H3S POP D 38 -6.867 17.448 13.254 1.00 0.00 H +HETATM 9688 H4R POP D 38 -9.070 17.800 11.989 1.00 0.00 H +HETATM 9689 H4S POP D 38 -9.827 16.552 12.983 1.00 0.00 H +HETATM 9690 H5R POP D 38 -8.489 14.809 11.979 1.00 0.00 H +HETATM 9691 H5S POP D 38 -7.281 16.058 11.354 1.00 0.00 H 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0.00 H +HETATM 9726 H8X POP D 38 -11.625 15.790 5.874 1.00 0.00 H +HETATM 9727 H8Y POP D 38 -10.085 15.982 6.893 1.00 0.00 H +HETATM 9728 H9X POP D 38 -9.451 16.090 4.551 1.00 0.00 H +HETATM 9729 H9Y POP D 38 -9.385 17.759 5.138 1.00 0.00 H +HETATM 9730 H10X POP D 38 -11.964 17.899 4.263 1.00 0.00 H +HETATM 9731 H10Y POP D 38 -11.496 16.341 3.480 1.00 0.00 H +HETATM 9732 H11X POP D 38 -11.211 18.098 1.804 1.00 0.00 H +HETATM 9733 H11Y POP D 38 -9.552 17.608 2.439 1.00 0.00 H +HETATM 9734 H12X POP D 38 -9.891 19.668 3.912 1.00 0.00 H +HETATM 9735 H12Y POP D 38 -11.491 19.891 3.249 1.00 0.00 H +HETATM 9736 H13X POP D 38 -10.590 20.214 0.863 1.00 0.00 H +HETATM 9737 H13Y POP D 38 -8.888 20.062 1.581 1.00 0.00 H +HETATM 9738 H14X POP D 38 -9.546 21.987 3.180 1.00 0.00 H +HETATM 9739 H14Y POP D 38 -11.163 21.969 2.500 1.00 0.00 H +HETATM 9740 H15X POP D 38 -10.260 23.712 1.104 1.00 0.00 H +HETATM 9741 H15Y POP D 38 -9.987 22.179 0.225 1.00 0.00 H +HETATM 9742 H16X POP D 38 -7.950 23.619 2.023 1.00 0.00 H +HETATM 9743 H16Y POP D 38 -7.994 23.709 0.232 1.00 0.00 H +HETATM 9744 H16Z POP D 38 -7.508 22.189 1.116 1.00 0.00 H +HETATM 9745 H17R POP D 38 -4.129 12.461 -1.137 1.00 0.00 H +HETATM 9746 H17S POP D 38 -2.708 12.040 -0.259 1.00 0.00 H +HETATM 9747 H18R POP D 38 -2.109 12.281 -2.694 1.00 0.00 H +HETATM 9748 H18S POP D 38 -1.479 13.668 -1.840 1.00 0.00 H +HETATM 9749 H18T POP D 38 -2.987 13.865 -2.836 1.00 0.00 H +HETATM 9750 C11 POP D 39 -29.700 11.453 17.688 1.00 0.00 C +HETATM 9751 C14 POP D 39 -32.096 10.790 17.743 1.00 0.00 C +HETATM 9752 C13 POP D 39 -31.349 12.984 18.494 1.00 0.00 C +HETATM 9753 N POP D 39 -31.140 11.935 17.505 1.00 0.00 N +HETATM 9754 C15 POP D 39 -31.349 12.682 16.175 1.00 0.00 C +HETATM 9755 C12 POP D 39 -31.188 11.830 14.871 1.00 0.00 C +HETATM 9756 O1 POP D 39 -29.847 11.333 14.745 1.00 0.00 O +HETATM 9757 P1 POP D 39 -28.747 12.406 14.333 1.00 0.00 P +HETATM 9758 O4 POP D 39 -29.136 13.713 14.761 1.00 0.00 O +HETATM 9759 O3 POP D 39 -27.493 11.868 14.816 1.00 0.00 O +HETATM 9760 O2 POP D 39 -28.864 12.450 12.747 1.00 0.00 O +HETATM 9761 C1 POP D 39 -28.614 11.176 12.093 1.00 0.00 C +HETATM 9762 C2 POP D 39 -29.991 10.537 11.461 1.00 0.00 C +HETATM 9763 O21 POP D 39 -29.619 9.353 10.692 1.00 0.00 O +HETATM 9764 C21 POP D 39 -30.426 8.289 10.687 1.00 0.00 C +HETATM 9765 O22 POP D 39 -31.471 8.291 11.289 1.00 0.00 O +HETATM 9766 C22 POP D 39 -29.791 7.039 9.950 1.00 0.00 C +HETATM 9767 C23 POP D 39 -29.878 7.175 8.419 1.00 0.00 C +HETATM 9768 C24 POP D 39 -28.898 8.205 7.766 1.00 0.00 C +HETATM 9769 C25 POP D 39 -29.613 9.483 7.190 1.00 0.00 C +HETATM 9770 C26 POP D 39 -28.645 10.611 6.814 1.00 0.00 C +HETATM 9771 C27 POP D 39 -29.365 11.911 6.265 1.00 0.00 C +HETATM 9772 C28 POP D 39 -28.382 13.061 5.971 1.00 0.00 C +HETATM 9773 C29 POP D 39 -28.031 13.742 7.319 1.00 0.00 C +HETATM 9774 C210 POP D 39 -27.509 14.968 7.381 1.00 0.00 C +HETATM 9775 C211 POP D 39 -27.085 15.902 6.287 1.00 0.00 C +HETATM 9776 C212 POP D 39 -25.572 15.740 5.826 1.00 0.00 C +HETATM 9777 C213 POP D 39 -25.242 16.696 4.701 1.00 0.00 C +HETATM 9778 C214 POP D 39 -23.754 16.743 4.279 1.00 0.00 C +HETATM 9779 C215 POP D 39 -23.414 15.629 3.302 1.00 0.00 C +HETATM 9780 C216 POP D 39 -22.010 15.751 2.735 1.00 0.00 C +HETATM 9781 C3 POP D 39 -30.904 11.369 10.606 1.00 0.00 C +HETATM 9782 O31 POP D 39 -31.919 10.717 9.825 1.00 0.00 O +HETATM 9783 C31 POP D 39 -33.172 10.587 10.335 1.00 0.00 C +HETATM 9784 O32 POP D 39 -33.389 10.966 11.483 1.00 0.00 O +HETATM 9785 C32 POP D 39 -34.101 10.017 9.259 1.00 0.00 C +HETATM 9786 C33 POP D 39 -35.518 10.434 9.466 1.00 0.00 C +HETATM 9787 C34 POP D 39 -36.494 10.101 8.346 1.00 0.00 C +HETATM 9788 C35 POP D 39 -36.519 8.606 7.947 1.00 0.00 C +HETATM 9789 C36 POP D 39 -37.501 8.456 6.782 1.00 0.00 C +HETATM 9790 C37 POP D 39 -38.951 8.140 7.223 1.00 0.00 C +HETATM 9791 C38 POP D 39 -39.265 6.728 7.782 1.00 0.00 C +HETATM 9792 C39 POP D 39 -39.032 5.633 6.775 1.00 0.00 C +HETATM 9793 C310 POP D 39 -39.596 4.243 7.210 1.00 0.00 C +HETATM 9794 C311 POP D 39 -38.941 3.166 6.367 1.00 0.00 C +HETATM 9795 C312 POP D 39 -39.484 3.054 4.892 1.00 0.00 C +HETATM 9796 C313 POP D 39 -40.572 2.060 4.721 1.00 0.00 C +HETATM 9797 C314 POP D 39 -41.025 1.752 3.258 1.00 0.00 C +HETATM 9798 C315 POP D 39 -40.018 0.941 2.472 1.00 0.00 C +HETATM 9799 C316 POP D 39 -40.278 0.587 0.946 1.00 0.00 C +HETATM 9800 C217 POP D 39 -21.778 14.597 1.748 1.00 0.00 C +HETATM 9801 C218 POP D 39 -20.333 14.391 1.357 1.00 0.00 C +HETATM 9802 H21 POP D 39 -29.694 10.958 18.648 1.00 0.00 H +HETATM 9803 H22 POP D 39 -29.022 12.290 17.605 1.00 0.00 H +HETATM 9804 H23 POP D 39 -29.481 10.806 16.851 1.00 0.00 H +HETATM 9805 H41 POP D 39 -33.141 10.981 17.547 1.00 0.00 H +HETATM 9806 H42 POP D 39 -31.804 10.106 16.960 1.00 0.00 H +HETATM 9807 H43 POP D 39 -31.865 10.316 18.685 1.00 0.00 H +HETATM 9808 H31 POP D 39 -31.059 12.703 19.496 1.00 0.00 H +HETATM 9809 H32 POP D 39 -30.846 13.921 18.307 1.00 0.00 H 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T4P E 31 -20.505 18.194 32.626 1.00 0.00 O +HETATM16140 H1 T4P E 31 -19.986 18.842 32.149 1.00 0.00 H +HETATM16141 H2 T4P E 31 -20.028 18.062 33.446 1.00 0.00 H +HETATM16142 O T4P E 32 1.910 -8.437 39.670 1.00 0.00 O +HETATM16143 H1 T4P E 32 1.752 -7.860 38.923 1.00 0.00 H +HETATM16144 H2 T4P E 32 1.223 -9.101 39.610 1.00 0.00 H +HETATM16145 O T4P E 33 -8.449 10.813 25.605 1.00 0.00 O +HETATM16146 H1 T4P E 33 -9.273 10.560 26.021 1.00 0.00 H +HETATM16147 H2 T4P E 33 -8.245 11.671 25.979 1.00 0.00 H +HETATM16148 O T4P E 34 11.651 -7.548 42.788 1.00 0.00 O +HETATM16149 H1 T4P E 34 11.077 -6.881 42.412 1.00 0.00 H +HETATM16150 H2 T4P E 34 12.126 -7.092 43.483 1.00 0.00 H +HETATM16151 O T4P E 35 14.815 -9.213 37.806 1.00 0.00 O +HETATM16152 H1 T4P E 35 14.453 -8.667 37.109 1.00 0.00 H +HETATM16153 H2 T4P E 35 15.180 -8.589 38.435 1.00 0.00 H +HETATM16154 O T4P E 36 10.388 -2.931 42.388 1.00 0.00 O +HETATM16155 H1 T4P E 36 10.592 -2.003 42.271 1.00 0.00 H +HETATM16156 H2 T4P E 36 9.505 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E 54 2.436 -17.333 -27.857 1.00 0.00 O +HETATM16209 H1 T4P E 54 2.949 -17.619 -28.612 1.00 0.00 H +HETATM16210 H2 T4P E 54 1.525 -17.428 -28.137 1.00 0.00 H +HETATM16211 O T4P E 55 -13.727 1.663 37.164 1.00 0.00 O +HETATM16212 H1 T4P E 55 -13.212 1.410 37.930 1.00 0.00 H +HETATM16213 H2 T4P E 55 -13.450 2.560 36.975 1.00 0.00 H +HETATM16214 O T4P E 56 -5.690 -7.377 -43.776 1.00 0.00 O +HETATM16215 H1 T4P E 56 -6.266 -7.712 -43.089 1.00 0.00 H +HETATM16216 H2 T4P E 56 -4.839 -7.776 -43.591 1.00 0.00 H +HETATM16217 O T4P E 57 -9.885 4.699 30.359 1.00 0.00 O +HETATM16218 H1 T4P E 57 -10.049 3.949 30.931 1.00 0.00 H +HETATM16219 H2 T4P E 57 -9.991 5.462 30.927 1.00 0.00 H +HETATM16220 O T4P E 58 -4.556 1.574 -43.035 1.00 0.00 O +HETATM16221 H1 T4P E 58 -4.593 0.832 -42.432 1.00 0.00 H +HETATM16222 H2 T4P E 58 -4.967 2.294 -42.556 1.00 0.00 H +HETATM16223 O T4P E 59 -18.002 3.080 24.897 1.00 0.00 O +HETATM16224 H1 T4P E 59 -18.167 2.768 25.786 1.00 0.00 H +HETATM16225 H2 T4P E 59 -18.506 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1.00 0.00 H +HETATM16243 H2 T4P E 65 -7.427 0.165 -41.644 1.00 0.00 H +HETATM16244 O T4P E 66 14.026 -5.523 24.822 1.00 0.00 O +HETATM16245 H1 T4P E 66 13.779 -6.415 25.066 1.00 0.00 H +HETATM16246 H2 T4P E 66 13.246 -5.167 24.395 1.00 0.00 H +HETATM16247 O T4P E 67 16.925 15.534 26.732 1.00 0.00 O +HETATM16248 H1 T4P E 67 17.102 16.392 27.118 1.00 0.00 H +HETATM16249 H2 T4P E 67 16.950 15.686 25.787 1.00 0.00 H +HETATM16250 O T4P E 68 -16.814 19.920 33.498 1.00 0.00 O +HETATM16251 H1 T4P E 68 -16.333 20.713 33.735 1.00 0.00 H +HETATM16252 H2 T4P E 68 -17.001 19.493 34.334 1.00 0.00 H +HETATM16253 O T4P E 69 6.702 1.484 -39.736 1.00 0.00 O +HETATM16254 H1 T4P E 69 7.097 2.286 -39.393 1.00 0.00 H +HETATM16255 H2 T4P E 69 6.916 0.814 -39.087 1.00 0.00 H +HETATM16256 O T4P E 70 -2.556 15.237 36.658 1.00 0.00 O +HETATM16257 H1 T4P E 70 -1.997 14.511 36.381 1.00 0.00 H +HETATM16258 H2 T4P E 70 -2.221 15.483 37.520 1.00 0.00 H +HETATM16259 O T4P E 71 4.339 -14.415 44.391 1.00 0.00 O 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4.427 -14.485 38.240 1.00 0.00 H +HETATM16295 O T4P E 83 27.110 -14.871 35.304 1.00 0.00 O +HETATM16296 H1 T4P E 83 27.394 -15.495 34.636 1.00 0.00 H +HETATM16297 H2 T4P E 83 27.798 -14.904 35.970 1.00 0.00 H +HETATM16298 O T4P E 84 -7.561 7.431 40.456 1.00 0.00 O +HETATM16299 H1 T4P E 84 -6.683 7.792 40.332 1.00 0.00 H +HETATM16300 H2 T4P E 84 -8.106 8.192 40.657 1.00 0.00 H +HETATM16301 O T4P E 85 -17.488 2.631 -38.510 1.00 0.00 O +HETATM16302 H1 T4P E 85 -17.183 2.572 -37.604 1.00 0.00 H +HETATM16303 H2 T4P E 85 -16.750 2.315 -39.032 1.00 0.00 H +HETATM16304 O T4P E 86 -10.214 12.887 28.820 1.00 0.00 O +HETATM16305 H1 T4P E 86 -9.990 13.245 27.962 1.00 0.00 H +HETATM16306 H2 T4P E 86 -11.130 12.620 28.737 1.00 0.00 H +HETATM16307 O T4P E 87 4.475 2.064 39.061 1.00 0.00 O +HETATM16308 H1 T4P E 87 5.306 1.610 38.922 1.00 0.00 H +HETATM16309 H2 T4P E 87 4.708 2.843 39.566 1.00 0.00 H +HETATM16310 O T4P E 88 32.829 11.311 -38.681 1.00 0.00 O +HETATM16311 H1 T4P E 88 32.051 11.123 -38.157 1.00 0.00 H +HETATM16312 H2 T4P E 88 32.670 10.867 -39.514 1.00 0.00 H +HETATM16313 O T4P E 89 -4.462 20.679 24.656 1.00 0.00 O +HETATM16314 H1 T4P E 89 -4.292 20.992 25.544 1.00 0.00 H +HETATM16315 H2 T4P E 89 -4.892 21.414 24.219 1.00 0.00 H +HETATM16316 O T4P E 90 12.153 22.858 43.444 1.00 0.00 O +HETATM16317 H1 T4P E 90 12.564 23.483 42.847 1.00 0.00 H +HETATM16318 H2 T4P E 90 12.888 22.421 43.876 1.00 0.00 H +HETATM16319 O T4P E 91 0.344 3.021 44.113 1.00 0.00 O +HETATM16320 H1 T4P E 91 0.177 3.769 44.687 1.00 0.00 H +HETATM16321 H2 T4P E 91 1.209 2.706 44.374 1.00 0.00 H +HETATM16322 O T4P E 92 6.314 -1.848 -41.538 1.00 0.00 O +HETATM16323 H1 T4P E 92 7.096 -1.606 -41.043 1.00 0.00 H +HETATM16324 H2 T4P E 92 5.592 -1.724 -40.921 1.00 0.00 H +HETATM16325 O T4P E 93 16.986 -18.507 -43.527 1.00 0.00 O +HETATM16326 H1 T4P E 93 17.698 -17.869 -43.566 1.00 0.00 H +HETATM16327 H2 T4P E 93 16.583 -18.470 -44.394 1.00 0.00 H +HETATM16328 O T4P E 94 11.731 6.647 38.781 1.00 0.00 O 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O T4P E 100 8.509 15.677 38.232 1.00 0.00 O +HETATM16347 H1 T4P E 100 7.864 16.257 38.636 1.00 0.00 H +HETATM16348 H2 T4P E 100 9.020 15.337 38.967 1.00 0.00 H +HETATM16349 O T4P E 101 5.885 -8.345 -43.729 1.00 0.00 O +HETATM16350 H1 T4P E 101 5.319 -8.915 -43.208 1.00 0.00 H +HETATM16351 H2 T4P E 101 6.221 -8.910 -44.424 1.00 0.00 H +HETATM16352 O T4P E 102 -3.641 0.393 -33.131 1.00 0.00 O +HETATM16353 H1 T4P E 102 -4.044 0.046 -32.335 1.00 0.00 H +HETATM16354 H2 T4P E 102 -4.003 1.275 -33.218 1.00 0.00 H +HETATM16355 O T4P E 103 -16.931 26.322 41.273 1.00 0.00 O +HETATM16356 H1 T4P E 103 -17.535 26.758 41.874 1.00 0.00 H +HETATM16357 H2 T4P E 103 -16.238 26.965 41.120 1.00 0.00 H +HETATM16358 O T4P E 104 -12.003 5.274 -42.481 1.00 0.00 O +HETATM16359 H1 T4P E 104 -11.121 5.341 -42.848 1.00 0.00 H +HETATM16360 H2 T4P E 104 -12.305 4.403 -42.739 1.00 0.00 H +HETATM16361 O T4P E 105 32.596 1.643 23.410 1.00 0.00 O +HETATM16362 H1 T4P E 105 32.117 0.932 23.836 1.00 0.00 H +HETATM16363 H2 T4P E 105 32.873 1.276 22.570 1.00 0.00 H +HETATM16364 O T4P E 106 14.836 2.981 33.349 1.00 0.00 O +HETATM16365 H1 T4P E 106 15.362 3.529 33.932 1.00 0.00 H +HETATM16366 H2 T4P E 106 14.896 2.103 33.726 1.00 0.00 H +HETATM16367 O T4P E 107 2.696 18.575 -30.957 1.00 0.00 O +HETATM16368 H1 T4P E 107 2.275 18.615 -30.098 1.00 0.00 H +HETATM16369 H2 T4P E 107 2.010 18.262 -31.546 1.00 0.00 H +HETATM16370 O T4P E 108 -0.109 -4.952 -42.687 1.00 0.00 O +HETATM16371 H1 T4P E 108 0.719 -4.485 -42.800 1.00 0.00 H +HETATM16372 H2 T4P E 108 -0.320 -5.280 -43.561 1.00 0.00 H +HETATM16373 O T4P E 109 21.528 -18.556 34.910 1.00 0.00 O +HETATM16374 H1 T4P E 109 21.538 -17.629 34.671 1.00 0.00 H +HETATM16375 H2 T4P E 109 21.272 -18.562 35.833 1.00 0.00 H +HETATM16376 O T4P E 110 23.858 -6.397 25.605 1.00 0.00 O +HETATM16377 H1 T4P E 110 24.385 -6.512 26.396 1.00 0.00 H +HETATM16378 H2 T4P E 110 23.306 -5.638 25.793 1.00 0.00 H +HETATM16379 O T4P E 111 26.163 -5.752 -36.556 1.00 0.00 O +HETATM16380 H1 T4P E 111 25.458 -5.130 -36.376 1.00 0.00 H +HETATM16381 H2 T4P E 111 26.744 -5.682 -35.798 1.00 0.00 H +HETATM16382 O T4P E 112 -23.124 11.813 -38.849 1.00 0.00 O +HETATM16383 H1 T4P E 112 -23.490 12.356 -39.548 1.00 0.00 H +HETATM16384 H2 T4P E 112 -23.478 10.939 -39.015 1.00 0.00 H +HETATM16385 O T4P E 113 -2.099 -7.427 34.146 1.00 0.00 O +HETATM16386 H1 T4P E 113 -2.504 -8.200 34.541 1.00 0.00 H +HETATM16387 H2 T4P E 113 -1.978 -7.663 33.226 1.00 0.00 H +HETATM16388 O T4P E 114 22.234 11.621 -40.527 1.00 0.00 O +HETATM16389 H1 T4P E 114 21.998 11.821 -39.621 1.00 0.00 H +HETATM16390 H2 T4P E 114 23.033 11.099 -40.458 1.00 0.00 H +HETATM16391 O T4P E 115 -2.861 -12.161 41.019 1.00 0.00 O +HETATM16392 H1 T4P E 115 -3.554 -12.221 40.361 1.00 0.00 H +HETATM16393 H2 T4P E 115 -2.413 -13.005 40.973 1.00 0.00 H +HETATM16394 O T4P E 116 -0.145 -13.617 43.967 1.00 0.00 O +HETATM16395 H1 T4P E 116 -0.712 -13.480 44.726 1.00 0.00 H +HETATM16396 H2 T4P E 116 0.100 -12.735 43.688 1.00 0.00 H 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0.00 H +HETATM16414 H2 T4P E 122 17.681 -15.556 36.927 1.00 0.00 H +HETATM16415 O T4P E 123 16.499 -10.064 35.899 1.00 0.00 O +HETATM16416 H1 T4P E 123 15.787 -9.940 36.526 1.00 0.00 H +HETATM16417 H2 T4P E 123 16.063 -10.333 35.091 1.00 0.00 H +HETATM16418 O T4P E 124 -1.028 -3.952 37.425 1.00 0.00 O +HETATM16419 H1 T4P E 124 -1.576 -4.427 36.801 1.00 0.00 H +HETATM16420 H2 T4P E 124 -0.145 -4.010 37.062 1.00 0.00 H +HETATM16421 O T4P E 125 16.354 14.200 -37.226 1.00 0.00 O +HETATM16422 H1 T4P E 125 17.004 14.757 -37.653 1.00 0.00 H +HETATM16423 H2 T4P E 125 15.780 13.913 -37.936 1.00 0.00 H +HETATM16424 O T4P E 126 -10.945 -16.104 32.645 1.00 0.00 O +HETATM16425 H1 T4P E 126 -11.673 -15.679 33.098 1.00 0.00 H +HETATM16426 H2 T4P E 126 -10.174 -15.600 32.903 1.00 0.00 H +HETATM16427 O T4P E 127 -3.863 5.312 -36.087 1.00 0.00 O +HETATM16428 H1 T4P E 127 -4.049 5.336 -37.026 1.00 0.00 H +HETATM16429 H2 T4P E 127 -4.489 5.925 -35.703 1.00 0.00 H +HETATM16430 O T4P E 128 6.096 7.798 -35.522 1.00 0.00 O +HETATM16431 H1 T4P E 128 5.259 7.479 -35.859 1.00 0.00 H +HETATM16432 H2 T4P E 128 6.682 7.780 -36.278 1.00 0.00 H +HETATM16433 O T4P E 129 -1.369 4.313 -36.261 1.00 0.00 O +HETATM16434 H1 T4P E 129 -1.391 3.606 -36.906 1.00 0.00 H +HETATM16435 H2 T4P E 129 -2.281 4.591 -36.179 1.00 0.00 H +HETATM16436 O T4P E 130 3.249 -10.930 38.643 1.00 0.00 O +HETATM16437 H1 T4P E 130 2.568 -10.586 39.220 1.00 0.00 H +HETATM16438 H2 T4P E 130 3.088 -11.874 38.616 1.00 0.00 H +HETATM16439 O T4P E 131 -5.007 8.060 -38.216 1.00 0.00 O +HETATM16440 H1 T4P E 131 -5.107 8.994 -38.028 1.00 0.00 H +HETATM16441 H2 T4P E 131 -4.141 7.988 -38.616 1.00 0.00 H +HETATM16442 O T4P E 132 10.067 -12.861 -32.708 1.00 0.00 O +HETATM16443 H1 T4P E 132 10.851 -12.747 -32.171 1.00 0.00 H +HETATM16444 H2 T4P E 132 9.833 -13.783 -32.598 1.00 0.00 H +HETATM16445 O T4P E 133 21.417 -6.932 -30.236 1.00 0.00 O +HETATM16446 H1 T4P E 133 21.326 -5.982 -30.304 1.00 0.00 H +HETATM16447 H2 T4P E 133 21.130 -7.137 -29.346 1.00 0.00 H +HETATM16448 O T4P E 134 23.398 5.045 42.406 1.00 0.00 O +HETATM16449 H1 T4P E 134 22.981 5.849 42.716 1.00 0.00 H +HETATM16450 H2 T4P E 134 23.581 5.210 41.481 1.00 0.00 H +HETATM16451 O T4P E 135 -19.640 0.667 39.727 1.00 0.00 O +HETATM16452 H1 T4P E 135 -19.540 -0.120 39.191 1.00 0.00 H +HETATM16453 H2 T4P E 135 -20.160 1.261 39.186 1.00 0.00 H +HETATM16454 O T4P E 136 22.985 -27.485 -43.889 1.00 0.00 O +HETATM16455 H1 T4P E 136 22.340 -27.583 -44.589 1.00 0.00 H +HETATM16456 H2 T4P E 136 22.666 -26.746 -43.371 1.00 0.00 H +HETATM16457 O T4P E 137 -2.070 -2.062 -37.596 1.00 0.00 O +HETATM16458 H1 T4P E 137 -2.478 -1.842 -36.758 1.00 0.00 H +HETATM16459 H2 T4P E 137 -2.773 -2.460 -38.108 1.00 0.00 H +HETATM16460 O T4P E 138 5.405 2.919 -45.078 1.00 0.00 O +HETATM16461 H1 T4P E 138 4.660 2.463 -44.686 1.00 0.00 H +HETATM16462 H2 T4P E 138 6.120 2.283 -45.046 1.00 0.00 H +HETATM16463 O T4P E 139 -1.207 2.443 31.446 1.00 0.00 O +HETATM16464 H1 T4P E 139 -1.601 1.690 31.885 1.00 0.00 H +HETATM16465 H2 T4P E 139 -1.785 3.175 31.661 1.00 0.00 H +HETATM16466 O T4P E 140 29.144 5.852 -46.182 1.00 0.00 O +HETATM16467 H1 T4P E 140 28.381 5.296 -46.022 1.00 0.00 H +HETATM16468 H2 T4P E 140 28.790 6.626 -46.620 1.00 0.00 H +HETATM16469 O T4P E 141 10.895 -1.795 -25.803 1.00 0.00 O +HETATM16470 H1 T4P E 141 10.905 -2.460 -25.115 1.00 0.00 H +HETATM16471 H2 T4P E 141 11.165 -0.990 -25.362 1.00 0.00 H +HETATM16472 O T4P E 142 9.583 0.577 -42.468 1.00 0.00 O +HETATM16473 H1 T4P E 142 9.801 0.555 -41.537 1.00 0.00 H +HETATM16474 H2 T4P E 142 9.979 -0.217 -42.827 1.00 0.00 H +HETATM16475 O T4P E 143 -15.482 -0.276 37.718 1.00 0.00 O +HETATM16476 H1 T4P E 143 -14.954 -1.009 38.035 1.00 0.00 H +HETATM16477 H2 T4P E 143 -14.847 0.418 37.540 1.00 0.00 H +HETATM16478 O T4P E 144 -3.087 -5.773 35.927 1.00 0.00 O +HETATM16479 H1 T4P E 144 -3.312 -6.439 36.578 1.00 0.00 H +HETATM16480 H2 T4P E 144 -2.673 -6.263 35.216 1.00 0.00 H +HETATM16481 O T4P E 145 -12.207 11.843 -38.810 1.00 0.00 O +HETATM16482 H1 T4P E 145 -12.876 12.411 -39.193 1.00 0.00 H +HETATM16483 H2 T4P E 145 -11.401 12.079 -39.270 1.00 0.00 H +HETATM16484 O T4P E 146 2.349 -2.126 -25.243 1.00 0.00 O +HETATM16485 H1 T4P E 146 1.913 -1.366 -25.629 1.00 0.00 H +HETATM16486 H2 T4P E 146 3.043 -2.345 -25.865 1.00 0.00 H +HETATM16487 O T4P E 147 -13.821 20.810 40.453 1.00 0.00 O +HETATM16488 H1 T4P E 147 -14.716 21.038 40.706 1.00 0.00 H +HETATM16489 H2 T4P E 147 -13.313 21.602 40.626 1.00 0.00 H +HETATM16490 O T4P E 148 -12.365 3.859 45.460 1.00 0.00 O +HETATM16491 H1 T4P E 148 -12.923 4.596 45.211 1.00 0.00 H +HETATM16492 H2 T4P E 148 -12.885 3.369 46.097 1.00 0.00 H +HETATM16493 O T4P E 149 -4.049 10.013 23.457 1.00 0.00 O +HETATM16494 H1 T4P E 149 -3.414 9.468 22.993 1.00 0.00 H +HETATM16495 H2 T4P E 149 -4.732 9.403 23.735 1.00 0.00 H +HETATM16496 O T4P E 150 -1.446 8.066 -44.373 1.00 0.00 O +HETATM16497 H1 T4P E 150 -1.682 7.401 -45.019 1.00 0.00 H +HETATM16498 H2 T4P E 150 -2.178 8.683 -44.385 1.00 0.00 H +HETATM16499 O T4P E 151 14.476 -1.638 -24.393 1.00 0.00 O +HETATM16500 H1 T4P E 151 14.079 -1.617 -25.264 1.00 0.00 H +HETATM16501 H2 T4P E 151 14.707 -2.557 -24.257 1.00 0.00 H +HETATM16502 O T4P E 152 -13.414 13.053 44.844 1.00 0.00 O +HETATM16503 H1 T4P E 152 -13.777 12.271 45.260 1.00 0.00 H +HETATM16504 H2 T4P E 152 -13.720 13.007 43.938 1.00 0.00 H +HETATM16505 O T4P E 153 33.491 -2.356 -43.273 1.00 0.00 O +HETATM16506 H1 T4P E 153 32.595 -2.633 -43.467 1.00 0.00 H +HETATM16507 H2 T4P E 153 33.434 -1.950 -42.408 1.00 0.00 H +HETATM16508 O T4P E 154 5.937 5.752 36.370 1.00 0.00 O +HETATM16509 H1 T4P E 154 5.963 4.800 36.280 1.00 0.00 H +HETATM16510 H2 T4P E 154 6.857 6.018 36.376 1.00 0.00 H +HETATM16511 O T4P E 155 19.560 -23.768 40.157 1.00 0.00 O +HETATM16512 H1 T4P E 155 18.846 -24.336 40.447 1.00 0.00 H +HETATM16513 H2 T4P E 155 19.435 -22.956 40.649 1.00 0.00 H +HETATM16514 O T4P E 156 8.936 -13.855 31.377 1.00 0.00 O +HETATM16515 H1 T4P E 156 9.409 -14.292 32.085 1.00 0.00 H +HETATM16516 H2 T4P E 156 9.032 -14.441 30.626 1.00 0.00 H +HETATM16517 O T4P E 157 -15.256 9.653 -30.535 1.00 0.00 O +HETATM16518 H1 T4P E 157 -15.357 9.049 -29.799 1.00 0.00 H +HETATM16519 H2 T4P E 157 -14.618 10.298 -30.230 1.00 0.00 H +HETATM16520 O T4P E 158 -12.269 -6.612 38.866 1.00 0.00 O +HETATM16521 H1 T4P E 158 -12.771 -6.586 38.051 1.00 0.00 H +HETATM16522 H2 T4P E 158 -12.062 -7.538 38.991 1.00 0.00 H +HETATM16523 O T4P E 159 24.981 -4.224 -39.441 1.00 0.00 O +HETATM16524 H1 T4P E 159 24.495 -4.105 -38.625 1.00 0.00 H +HETATM16525 H2 T4P E 159 24.876 -3.395 -39.907 1.00 0.00 H +HETATM16526 O T4P E 160 2.008 -2.846 -38.120 1.00 0.00 O +HETATM16527 H1 T4P E 160 1.293 -3.477 -38.200 1.00 0.00 H +HETATM16528 H2 T4P E 160 2.701 -3.198 -38.679 1.00 0.00 H +HETATM16529 O T4P E 161 26.474 0.983 -42.309 1.00 0.00 O +HETATM16530 H1 T4P E 161 27.042 0.473 -41.732 1.00 0.00 H +HETATM16531 H2 T4P E 161 25.677 1.125 -41.798 1.00 0.00 H +HETATM16532 O T4P E 162 -20.953 -16.799 -44.096 1.00 0.00 O +HETATM16533 H1 T4P E 162 -20.664 -16.110 -43.498 1.00 0.00 H +HETATM16534 H2 T4P E 162 -21.743 -17.154 -43.689 1.00 0.00 H +HETATM16535 O T4P E 163 2.490 -3.897 38.727 1.00 0.00 O +HETATM16536 H1 T4P E 163 1.968 -4.329 39.404 1.00 0.00 H +HETATM16537 H2 T4P E 163 2.864 -4.616 38.218 1.00 0.00 H +HETATM16538 O T4P E 164 3.511 -4.079 -45.131 1.00 0.00 O +HETATM16539 H1 T4P E 164 2.934 -3.844 -45.857 1.00 0.00 H +HETATM16540 H2 T4P E 164 3.621 -5.027 -45.208 1.00 0.00 H +HETATM16541 O T4P E 165 2.271 10.830 -39.578 1.00 0.00 O +HETATM16542 H1 T4P E 165 2.382 11.669 -40.025 1.00 0.00 H +HETATM16543 H2 T4P E 165 1.367 10.842 -39.265 1.00 0.00 H +HETATM16544 O T4P E 166 1.190 10.232 -34.028 1.00 0.00 O +HETATM16545 H1 T4P E 166 1.035 9.738 -34.833 1.00 0.00 H +HETATM16546 H2 T4P E 166 2.137 10.185 -33.896 1.00 0.00 H +HETATM16547 O T4P E 167 10.723 -0.397 41.370 1.00 0.00 O +HETATM16548 H1 T4P E 167 11.033 0.070 42.146 1.00 0.00 H +HETATM16549 H2 T4P E 167 9.999 0.137 41.042 1.00 0.00 H +HETATM16550 O T4P E 168 5.968 11.598 -30.416 1.00 0.00 O +HETATM16551 H1 T4P E 168 6.515 12.297 -30.774 1.00 0.00 H +HETATM16552 H2 T4P E 168 5.072 11.869 -30.617 1.00 0.00 H +HETATM16553 O T4P E 169 -9.117 -12.751 -37.482 1.00 0.00 O +HETATM16554 H1 T4P E 169 -9.314 -11.869 -37.795 1.00 0.00 H +HETATM16555 H2 T4P E 169 -8.433 -13.068 -38.073 1.00 0.00 H +HETATM16556 O T4P E 170 0.004 -25.998 -41.735 1.00 0.00 O +HETATM16557 H1 T4P E 170 0.824 -25.512 -41.826 1.00 0.00 H +HETATM16558 H2 T4P E 170 -0.462 -25.838 -42.555 1.00 0.00 H +HETATM16559 O T4P E 171 7.619 -11.971 -40.072 1.00 0.00 O +HETATM16560 H1 T4P E 171 7.604 -11.020 -40.188 1.00 0.00 H +HETATM16561 H2 T4P E 171 6.962 -12.140 -39.397 1.00 0.00 H +HETATM16562 O T4P E 172 20.368 9.491 40.603 1.00 0.00 O +HETATM16563 H1 T4P E 172 21.066 10.129 40.455 1.00 0.00 H +HETATM16564 H2 T4P E 172 20.141 9.592 41.527 1.00 0.00 H +HETATM16565 O T4P E 173 16.947 -14.193 44.914 1.00 0.00 O 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H +HETATM16600 H2 T4P E 184 3.670 11.446 36.138 1.00 0.00 H +HETATM16601 O T4P E 185 -4.688 9.576 32.330 1.00 0.00 O +HETATM16602 H1 T4P E 185 -4.621 8.862 31.695 1.00 0.00 H +HETATM16603 H2 T4P E 185 -5.582 9.514 32.666 1.00 0.00 H +HETATM16604 O T4P E 186 20.206 0.241 27.937 1.00 0.00 O +HETATM16605 H1 T4P E 186 20.010 1.132 28.228 1.00 0.00 H +HETATM16606 H2 T4P E 186 20.493 0.343 27.029 1.00 0.00 H +HETATM16607 O T4P E 187 -7.210 2.530 35.632 1.00 0.00 O +HETATM16608 H1 T4P E 187 -6.441 2.248 35.137 1.00 0.00 H +HETATM16609 H2 T4P E 187 -6.853 3.027 36.368 1.00 0.00 H +HETATM16610 O T4P E 188 -17.261 -4.651 -44.922 1.00 0.00 O +HETATM16611 H1 T4P E 188 -17.522 -5.393 -44.377 1.00 0.00 H +HETATM16612 H2 T4P E 188 -16.824 -4.051 -44.317 1.00 0.00 H +HETATM16613 O T4P E 189 -3.076 -9.152 -43.898 1.00 0.00 O +HETATM16614 H1 T4P E 189 -2.574 -9.871 -43.513 1.00 0.00 H +HETATM16615 H2 T4P E 189 -2.823 -8.383 -43.388 1.00 0.00 H +HETATM16616 O T4P E 190 2.779 8.000 -42.502 1.00 0.00 O 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0.00 H +HETATM16651 H2 T4P E 201 12.660 26.318 -45.088 1.00 0.00 H +HETATM16652 O T4P E 202 -12.388 9.193 -39.027 1.00 0.00 O +HETATM16653 H1 T4P E 202 -12.572 9.072 -39.958 1.00 0.00 H +HETATM16654 H2 T4P E 202 -12.248 10.135 -38.930 1.00 0.00 H +HETATM16655 O T4P E 203 4.155 -11.718 -39.276 1.00 0.00 O +HETATM16656 H1 T4P E 203 4.645 -11.617 -38.460 1.00 0.00 H +HETATM16657 H2 T4P E 203 4.153 -10.843 -39.664 1.00 0.00 H +HETATM16658 O T4P E 204 -23.196 -10.450 -30.105 1.00 0.00 O +HETATM16659 H1 T4P E 204 -22.628 -11.203 -30.267 1.00 0.00 H +HETATM16660 H2 T4P E 204 -24.050 -10.715 -30.448 1.00 0.00 H +HETATM16661 O T4P E 205 -4.159 -0.933 -30.295 1.00 0.00 O +HETATM16662 H1 T4P E 205 -3.814 -0.153 -29.861 1.00 0.00 H +HETATM16663 H2 T4P E 205 -4.099 -1.622 -29.633 1.00 0.00 H +HETATM16664 O T4P E 206 14.093 -6.197 32.255 1.00 0.00 O +HETATM16665 H1 T4P E 206 13.320 -6.240 31.692 1.00 0.00 H +HETATM16666 H2 T4P E 206 14.385 -7.105 32.332 1.00 0.00 H +HETATM16667 O T4P E 207 20.901 -19.229 -31.880 1.00 0.00 O +HETATM16668 H1 T4P E 207 21.385 -20.055 -31.890 1.00 0.00 H +HETATM16669 H2 T4P E 207 21.330 -18.707 -31.203 1.00 0.00 H +HETATM16670 O T4P E 208 -5.754 27.739 46.300 1.00 0.00 O +HETATM16671 H1 T4P E 208 -4.890 27.558 45.930 1.00 0.00 H +HETATM16672 H2 T4P E 208 -6.310 27.910 45.540 1.00 0.00 H +HETATM16673 O T4P E 209 -12.584 6.845 -29.720 1.00 0.00 O +HETATM16674 H1 T4P E 209 -12.499 5.938 -30.014 1.00 0.00 H +HETATM16675 H2 T4P E 209 -12.549 7.362 -30.525 1.00 0.00 H +HETATM16676 O T4P E 210 -0.972 -11.084 -45.793 1.00 0.00 O +HETATM16677 H1 T4P E 210 -0.895 -10.757 -46.689 1.00 0.00 H +HETATM16678 H2 T4P E 210 -1.298 -11.978 -45.891 1.00 0.00 H +HETATM16679 O T4P E 211 -5.247 11.790 44.344 1.00 0.00 O +HETATM16680 H1 T4P E 211 -4.995 12.695 44.531 1.00 0.00 H +HETATM16681 H2 T4P E 211 -5.030 11.311 45.144 1.00 0.00 H +HETATM16682 O T4P E 212 2.940 -14.254 -21.795 1.00 0.00 O +HETATM16683 H1 T4P E 212 3.289 -14.951 -22.351 1.00 0.00 H +HETATM16684 H2 T4P E 212 2.466 -13.681 -22.398 1.00 0.00 H +HETATM16685 O T4P E 213 -10.876 -8.658 -30.921 1.00 0.00 O +HETATM16686 H1 T4P E 213 -11.801 -8.484 -30.745 1.00 0.00 H +HETATM16687 H2 T4P E 213 -10.506 -7.800 -31.127 1.00 0.00 H +HETATM16688 O T4P E 214 -2.507 -22.846 -40.817 1.00 0.00 O +HETATM16689 H1 T4P E 214 -1.702 -22.533 -41.230 1.00 0.00 H +HETATM16690 H2 T4P E 214 -2.706 -22.189 -40.150 1.00 0.00 H +HETATM16691 O T4P E 215 8.391 19.661 -40.421 1.00 0.00 O +HETATM16692 H1 T4P E 215 7.866 20.420 -40.167 1.00 0.00 H +HETATM16693 H2 T4P E 215 8.186 19.525 -41.346 1.00 0.00 H +HETATM16694 O T4P E 216 -6.477 -22.536 40.633 1.00 0.00 O +HETATM16695 H1 T4P E 216 -6.469 -23.472 40.432 1.00 0.00 H +HETATM16696 H2 T4P E 216 -5.576 -22.250 40.481 1.00 0.00 H +HETATM16697 O T4P E 217 -24.538 12.598 -42.601 1.00 0.00 O +HETATM16698 H1 T4P E 217 -24.963 12.122 -43.314 1.00 0.00 H +HETATM16699 H2 T4P E 217 -23.717 12.129 -42.455 1.00 0.00 H +HETATM16700 O T4P E 218 -4.561 14.178 -30.739 1.00 0.00 O +HETATM16701 H1 T4P E 218 -3.703 14.356 -30.353 1.00 0.00 H +HETATM16702 H2 T4P E 218 -4.806 14.998 -31.168 1.00 0.00 H +HETATM16703 O T4P E 219 10.862 -5.075 -36.787 1.00 0.00 O +HETATM16704 H1 T4P E 219 10.849 -4.219 -36.360 1.00 0.00 H +HETATM16705 H2 T4P E 219 11.447 -5.605 -36.245 1.00 0.00 H +HETATM16706 O T4P E 220 -2.968 12.405 -23.516 1.00 0.00 O +HETATM16707 H1 T4P E 220 -2.711 12.349 -24.437 1.00 0.00 H +HETATM16708 H2 T4P E 220 -2.640 11.595 -23.126 1.00 0.00 H +HETATM16709 O T4P E 221 -8.017 1.896 -36.022 1.00 0.00 O +HETATM16710 H1 T4P E 221 -8.823 1.513 -36.368 1.00 0.00 H +HETATM16711 H2 T4P E 221 -7.407 1.160 -35.963 1.00 0.00 H +HETATM16712 O T4P E 222 -3.186 17.916 -42.170 1.00 0.00 O +HETATM16713 H1 T4P E 222 -3.736 17.150 -42.007 1.00 0.00 H +HETATM16714 H2 T4P E 222 -3.031 17.903 -43.114 1.00 0.00 H +HETATM16715 O T4P E 223 -12.171 29.362 -42.566 1.00 0.00 O +HETATM16716 H1 T4P E 223 -12.840 29.970 -42.250 1.00 0.00 H +HETATM16717 H2 T4P E 223 -12.362 29.258 -43.498 1.00 0.00 H +HETATM16718 O T4P E 224 -3.980 -0.797 -41.335 1.00 0.00 O +HETATM16719 H1 T4P E 224 -4.728 -1.328 -41.607 1.00 0.00 H +HETATM16720 H2 T4P E 224 -4.246 -0.417 -40.498 1.00 0.00 H +HETATM16721 O T4P E 225 7.256 1.745 -42.393 1.00 0.00 O +HETATM16722 H1 T4P E 225 8.007 1.176 -42.558 1.00 0.00 H +HETATM16723 H2 T4P E 225 7.115 1.689 -41.448 1.00 0.00 H +HETATM16724 O T4P E 226 -15.767 6.960 -29.690 1.00 0.00 O +HETATM16725 H1 T4P E 226 -16.509 6.622 -30.191 1.00 0.00 H +HETATM16726 H2 T4P E 226 -15.004 6.515 -30.060 1.00 0.00 H +HETATM16727 O T4P E 227 0.191 -22.432 43.623 1.00 0.00 O +HETATM16728 H1 T4P E 227 0.612 -21.791 43.051 1.00 0.00 H +HETATM16729 H2 T4P E 227 0.612 -23.263 43.404 1.00 0.00 H +HETATM16730 O T4P E 228 7.478 13.015 -43.208 1.00 0.00 O +HETATM16731 H1 T4P E 228 8.369 13.228 -43.486 1.00 0.00 H +HETATM16732 H2 T4P E 228 7.151 12.423 -43.884 1.00 0.00 H +HETATM16733 O T4P E 229 -11.540 9.394 32.047 1.00 0.00 O +HETATM16734 H1 T4P E 229 -12.156 8.874 32.561 1.00 0.00 H +HETATM16735 H2 T4P E 229 -11.966 9.500 31.197 1.00 0.00 H +HETATM16736 O T4P E 230 17.477 28.527 -32.952 1.00 0.00 O +HETATM16737 H1 T4P E 230 17.563 29.151 -33.673 1.00 0.00 H +HETATM16738 H2 T4P E 230 17.952 27.751 -33.248 1.00 0.00 H +HETATM16739 O T4P E 231 -11.917 22.002 34.604 1.00 0.00 O +HETATM16740 H1 T4P E 231 -11.801 22.898 34.288 1.00 0.00 H +HETATM16741 H2 T4P E 231 -11.880 22.076 35.557 1.00 0.00 H +HETATM16742 O T4P E 232 16.486 -12.069 -43.720 1.00 0.00 O +HETATM16743 H1 T4P E 232 16.774 -12.964 -43.899 1.00 0.00 H +HETATM16744 H2 T4P E 232 16.158 -12.098 -42.821 1.00 0.00 H +HETATM16745 O T4P E 233 3.573 2.904 31.249 1.00 0.00 O +HETATM16746 H1 T4P E 233 4.484 2.651 31.097 1.00 0.00 H +HETATM16747 H2 T4P E 233 3.631 3.752 31.691 1.00 0.00 H +HETATM16748 O T4P E 234 -3.194 -29.608 45.110 1.00 0.00 O +HETATM16749 H1 T4P E 234 -2.313 -29.308 44.889 1.00 0.00 H +HETATM16750 H2 T4P E 234 -3.649 -29.656 44.269 1.00 0.00 H +HETATM16751 O T4P E 235 -20.232 24.036 44.835 1.00 0.00 O +HETATM16752 H1 T4P E 235 -20.211 24.779 44.231 1.00 0.00 H +HETATM16753 H2 T4P E 235 -19.612 23.408 44.463 1.00 0.00 H +HETATM16754 O T4P E 236 -0.235 22.127 39.013 1.00 0.00 O +HETATM16755 H1 T4P E 236 -1.034 22.594 38.766 1.00 0.00 H +HETATM16756 H2 T4P E 236 -0.283 22.058 39.966 1.00 0.00 H +HETATM16757 O T4P E 237 -0.617 15.179 -32.044 1.00 0.00 O +HETATM16758 H1 T4P E 237 -0.006 15.867 -32.309 1.00 0.00 H +HETATM16759 H2 T4P E 237 -0.078 14.390 -31.985 1.00 0.00 H +HETATM16760 O T4P E 238 -5.899 -25.285 40.042 1.00 0.00 O +HETATM16761 H1 T4P E 238 -6.812 -25.501 40.232 1.00 0.00 H +HETATM16762 H2 T4P E 238 -5.455 -25.357 40.886 1.00 0.00 H +HETATM16763 O T4P E 239 -23.171 14.063 -34.501 1.00 0.00 O +HETATM16764 H1 T4P E 239 -23.502 14.825 -34.025 1.00 0.00 H +HETATM16765 H2 T4P E 239 -23.956 13.578 -34.752 1.00 0.00 H +HETATM16766 O T4P E 240 -1.136 12.325 33.218 1.00 0.00 O +HETATM16767 H1 T4P E 240 -0.243 12.662 33.286 1.00 0.00 H 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0.00 H +HETATM16802 O T4P E 252 -13.266 -24.496 38.245 1.00 0.00 O +HETATM16803 H1 T4P E 252 -14.160 -24.829 38.178 1.00 0.00 H +HETATM16804 H2 T4P E 252 -13.278 -23.676 37.751 1.00 0.00 H +HETATM16805 O T4P E 253 3.214 5.449 32.242 1.00 0.00 O +HETATM16806 H1 T4P E 253 2.417 5.978 32.240 1.00 0.00 H +HETATM16807 H2 T4P E 253 3.822 5.932 32.802 1.00 0.00 H +HETATM16808 O T4P E 254 12.878 15.777 41.560 1.00 0.00 O +HETATM16809 H1 T4P E 254 13.582 15.372 42.066 1.00 0.00 H +HETATM16810 H2 T4P E 254 13.027 15.482 40.661 1.00 0.00 H +HETATM16811 O T4P E 255 -0.386 26.801 -24.398 1.00 0.00 O +HETATM16812 H1 T4P E 255 -0.037 26.749 -25.288 1.00 0.00 H +HETATM16813 H2 T4P E 255 0.345 26.541 -23.838 1.00 0.00 H +HETATM16814 O T4P E 256 8.741 3.420 -39.239 1.00 0.00 O +HETATM16815 H1 T4P E 256 8.213 4.066 -39.708 1.00 0.00 H +HETATM16816 H2 T4P E 256 9.401 3.141 -39.874 1.00 0.00 H +HETATM16817 O T4P E 257 -6.626 -23.629 -41.422 1.00 0.00 O +HETATM16818 H1 T4P E 257 -6.995 -23.613 -42.305 1.00 0.00 H +HETATM16819 H2 T4P E 257 -6.514 -24.559 -41.225 1.00 0.00 H +HETATM16820 O T4P E 258 0.317 19.014 39.025 1.00 0.00 O +HETATM16821 H1 T4P E 258 -0.401 18.659 39.550 1.00 0.00 H +HETATM16822 H2 T4P E 258 0.109 19.944 38.933 1.00 0.00 H +HETATM16823 O T4P E 259 27.690 25.348 37.811 1.00 0.00 O +HETATM16824 H1 T4P E 259 26.767 25.513 37.622 1.00 0.00 H +HETATM16825 H2 T4P E 259 27.981 24.772 37.104 1.00 0.00 H +HETATM16826 O T4P E 260 20.425 29.126 35.860 1.00 0.00 O +HETATM16827 H1 T4P E 260 20.091 28.810 36.700 1.00 0.00 H +HETATM16828 H2 T4P E 260 21.357 29.278 36.014 1.00 0.00 H +HETATM16829 O T4P E 261 4.082 15.019 28.440 1.00 0.00 O +HETATM16830 H1 T4P E 261 4.573 15.427 29.153 1.00 0.00 H +HETATM16831 H2 T4P E 261 3.275 14.708 28.851 1.00 0.00 H +HETATM16832 O T4P E 262 -23.856 25.719 24.512 1.00 0.00 O +HETATM16833 H1 T4P E 262 -24.095 25.743 25.439 1.00 0.00 H +HETATM16834 H2 T4P E 262 -24.677 25.527 24.058 1.00 0.00 H +HETATM16835 O T4P E 263 1.259 -7.144 -25.782 1.00 0.00 O +HETATM16836 H1 T4P E 263 1.689 -6.486 -25.236 1.00 0.00 H +HETATM16837 H2 T4P E 263 0.364 -7.188 -25.446 1.00 0.00 H +HETATM16838 O T4P E 264 -2.533 23.346 38.030 1.00 0.00 O +HETATM16839 H1 T4P E 264 -3.076 22.587 38.244 1.00 0.00 H +HETATM16840 H2 T4P E 264 -2.590 23.908 38.803 1.00 0.00 H +HETATM16841 O T4P E 265 0.055 6.217 35.886 1.00 0.00 O +HETATM16842 H1 T4P E 265 -0.297 5.407 35.517 1.00 0.00 H +HETATM16843 H2 T4P E 265 -0.578 6.890 35.635 1.00 0.00 H +HETATM16844 O T4P E 266 -6.125 22.791 38.458 1.00 0.00 O +HETATM16845 H1 T4P E 266 -5.890 23.287 37.674 1.00 0.00 H +HETATM16846 H2 T4P E 266 -7.037 22.536 38.316 1.00 0.00 H +HETATM16847 O T4P E 267 3.486 -28.462 22.824 1.00 0.00 O +HETATM16848 H1 T4P E 267 4.293 -28.957 22.685 1.00 0.00 H +HETATM16849 H2 T4P E 267 3.501 -27.784 22.149 1.00 0.00 H +HETATM16850 O T4P E 268 1.484 -5.619 40.584 1.00 0.00 O +HETATM16851 H1 T4P E 268 1.245 -6.504 40.308 1.00 0.00 H +HETATM16852 H2 T4P E 268 1.675 -5.702 41.518 1.00 0.00 H +HETATM16853 O T4P E 269 20.083 26.962 24.313 1.00 0.00 O +HETATM16854 H1 T4P E 269 20.697 27.417 24.890 1.00 0.00 H +HETATM16855 H2 T4P E 269 19.455 26.551 24.907 1.00 0.00 H +HETATM16856 O T4P E 270 0.212 3.769 -29.606 1.00 0.00 O +HETATM16857 H1 T4P E 270 0.819 4.428 -29.943 1.00 0.00 H +HETATM16858 H2 T4P E 270 -0.332 3.537 -30.359 1.00 0.00 H +HETATM16859 O T4P E 271 -3.461 23.147 -46.298 1.00 0.00 O +HETATM16860 H1 T4P E 271 -3.964 23.748 -45.748 1.00 0.00 H +HETATM16861 H2 T4P E 271 -3.085 23.703 -46.980 1.00 0.00 H +HETATM16862 O T4P E 272 1.730 5.423 27.520 1.00 0.00 O +HETATM16863 H1 T4P E 272 0.773 5.415 27.508 1.00 0.00 H +HETATM16864 H2 T4P E 272 1.980 5.641 26.623 1.00 0.00 H +HETATM16865 O T4P E 273 -7.118 1.594 44.423 1.00 0.00 O +HETATM16866 H1 T4P E 273 -6.416 2.188 44.690 1.00 0.00 H +HETATM16867 H2 T4P E 273 -7.924 2.074 44.614 1.00 0.00 H +HETATM16868 O T4P E 274 5.706 13.179 43.652 1.00 0.00 O +HETATM16869 H1 T4P E 274 4.771 13.234 43.456 1.00 0.00 H +HETATM16870 H2 T4P E 274 6.136 13.522 42.869 1.00 0.00 H +HETATM16871 O T4P E 275 -0.343 1.402 28.913 1.00 0.00 O +HETATM16872 H1 T4P E 275 0.264 2.082 28.620 1.00 0.00 H +HETATM16873 H2 T4P E 275 -0.536 1.629 29.823 1.00 0.00 H +HETATM16874 O T4P E 276 15.932 11.569 -38.921 1.00 0.00 O +HETATM16875 H1 T4P E 276 16.505 11.252 -39.620 1.00 0.00 H +HETATM16876 H2 T4P E 276 15.077 11.188 -39.120 1.00 0.00 H +HETATM16877 O T4P E 277 -14.953 21.566 37.823 1.00 0.00 O +HETATM16878 H1 T4P E 277 -14.952 22.515 37.948 1.00 0.00 H +HETATM16879 H2 T4P E 277 -14.461 21.225 38.569 1.00 0.00 H +HETATM16880 O T4P E 278 -8.794 7.231 20.092 1.00 0.00 O +HETATM16881 H1 T4P E 278 -7.981 6.767 20.290 1.00 0.00 H +HETATM16882 H2 T4P E 278 -9.471 6.556 20.128 1.00 0.00 H +HETATM16883 O T4P E 279 -3.255 20.835 35.008 1.00 0.00 O +HETATM16884 H1 T4P E 279 -3.059 20.953 34.079 1.00 0.00 H +HETATM16885 H2 T4P E 279 -3.208 21.717 35.378 1.00 0.00 H +HETATM16886 O T4P E 280 32.489 10.462 35.988 1.00 0.00 O +HETATM16887 H1 T4P E 280 33.079 11.195 36.165 1.00 0.00 H +HETATM16888 H2 T4P E 280 32.898 9.714 36.423 1.00 0.00 H +HETATM16889 O T4P E 281 0.455 -22.547 38.900 1.00 0.00 O +HETATM16890 H1 T4P E 281 0.022 -22.699 38.060 1.00 0.00 H +HETATM16891 H2 T4P E 281 1.267 -23.050 38.847 1.00 0.00 H +HETATM16892 O T4P E 282 5.467 11.501 34.589 1.00 0.00 O +HETATM16893 H1 T4P E 282 5.201 11.949 35.392 1.00 0.00 H +HETATM16894 H2 T4P E 282 5.688 10.614 34.871 1.00 0.00 H +HETATM16895 O T4P E 283 -8.987 -24.049 35.635 1.00 0.00 O +HETATM16896 H1 T4P E 283 -9.126 -24.172 36.574 1.00 0.00 H +HETATM16897 H2 T4P E 283 -9.070 -23.105 35.502 1.00 0.00 H +HETATM16898 O T4P E 284 17.988 12.496 38.783 1.00 0.00 O +HETATM16899 H1 T4P E 284 18.482 12.555 37.965 1.00 0.00 H +HETATM16900 H2 T4P E 284 17.130 12.162 38.521 1.00 0.00 H +HETATM16901 O T4P E 285 -0.966 17.021 25.583 1.00 0.00 O +HETATM16902 H1 T4P E 285 -0.959 16.750 24.666 1.00 0.00 H +HETATM16903 H2 T4P E 285 -0.046 17.004 25.846 1.00 0.00 H +HETATM16904 O T4P E 286 -15.125 18.992 -40.934 1.00 0.00 O +HETATM16905 H1 T4P E 286 -14.563 19.721 -41.198 1.00 0.00 H +HETATM16906 H2 T4P E 286 -16.010 19.356 -40.941 1.00 0.00 H +HETATM16907 O T4P E 287 -20.048 2.931 22.081 1.00 0.00 O +HETATM16908 H1 T4P E 287 -19.123 2.706 21.980 1.00 0.00 H +HETATM16909 H2 T4P E 287 -20.513 2.107 21.936 1.00 0.00 H +HETATM16910 O T4P E 288 18.328 -0.423 37.303 1.00 0.00 O +HETATM16911 H1 T4P E 288 17.742 -0.123 36.607 1.00 0.00 H +HETATM16912 H2 T4P E 288 18.895 -1.067 36.878 1.00 0.00 H +HETATM16913 O T4P E 289 -21.045 18.285 27.802 1.00 0.00 O +HETATM16914 H1 T4P E 289 -20.305 18.527 27.245 1.00 0.00 H +HETATM16915 H2 T4P E 289 -21.302 17.416 27.494 1.00 0.00 H +HETATM16916 O T4P E 290 -5.781 14.464 22.858 1.00 0.00 O +HETATM16917 H1 T4P E 290 -6.141 13.694 23.297 1.00 0.00 H +HETATM16918 H2 T4P E 290 -5.301 14.929 23.544 1.00 0.00 H +HETATM16919 O T4P E 291 3.013 3.336 36.993 1.00 0.00 O +HETATM16920 H1 T4P E 291 3.778 3.006 37.464 1.00 0.00 H +HETATM16921 H2 T4P E 291 3.071 2.931 36.128 1.00 0.00 H +HETATM16922 O T4P E 292 -14.240 4.041 33.991 1.00 0.00 O +HETATM16923 H1 T4P E 292 -14.186 3.090 34.085 1.00 0.00 H +HETATM16924 H2 T4P E 292 -15.136 4.257 34.247 1.00 0.00 H +HETATM16925 O T4P E 293 25.079 -25.225 -33.182 1.00 0.00 O +HETATM16926 H1 T4P E 293 25.470 -24.649 -32.525 1.00 0.00 H +HETATM16927 H2 T4P E 293 25.172 -26.104 -32.816 1.00 0.00 H +HETATM16928 O T4P E 294 5.766 -22.978 32.433 1.00 0.00 O +HETATM16929 H1 T4P E 294 5.850 -22.489 31.614 1.00 0.00 H +HETATM16930 H2 T4P E 294 6.534 -23.549 32.451 1.00 0.00 H +HETATM16931 O T4P E 295 11.597 -12.129 -34.841 1.00 0.00 O +HETATM16932 H1 T4P E 295 11.146 -11.469 -35.368 1.00 0.00 H +HETATM16933 H2 T4P E 295 10.933 -12.438 -34.225 1.00 0.00 H +HETATM16934 O T4P E 296 7.108 1.030 38.823 1.00 0.00 O +HETATM16935 H1 T4P E 296 7.575 1.844 38.636 1.00 0.00 H +HETATM16936 H2 T4P E 296 7.306 0.844 39.741 1.00 0.00 H +HETATM16937 O T4P E 297 13.857 -25.112 36.311 1.00 0.00 O +HETATM16938 H1 T4P E 297 13.088 -24.609 36.041 1.00 0.00 H +HETATM16939 H2 T4P E 297 14.529 -24.451 36.478 1.00 0.00 H +HETATM16940 O T4P E 298 -4.432 7.959 25.417 1.00 0.00 O +HETATM16941 H1 T4P E 298 -3.619 8.417 25.627 1.00 0.00 H +HETATM16942 H2 T4P E 298 -5.116 8.475 25.843 1.00 0.00 H +HETATM16943 O T4P E 299 4.256 9.348 -40.658 1.00 0.00 O +HETATM16944 H1 T4P E 299 3.999 8.705 -41.319 1.00 0.00 H +HETATM16945 H2 T4P E 299 3.436 9.764 -40.396 1.00 0.00 H +HETATM16946 O T4P E 300 3.680 25.197 25.824 1.00 0.00 O +HETATM16947 H1 T4P E 300 2.876 24.690 25.712 1.00 0.00 H +HETATM16948 H2 T4P E 300 3.983 25.365 24.931 1.00 0.00 H +HETATM16949 O T4P E 301 3.063 14.289 37.319 1.00 0.00 O +HETATM16950 H1 T4P E 301 2.218 14.724 37.434 1.00 0.00 H +HETATM16951 H2 T4P E 301 3.572 14.547 38.088 1.00 0.00 H +HETATM16952 O T4P E 302 7.088 19.676 32.033 1.00 0.00 O +HETATM16953 H1 T4P E 302 7.760 19.459 32.679 1.00 0.00 H +HETATM16954 H2 T4P E 302 6.639 18.848 31.865 1.00 0.00 H +HETATM16955 O T4P E 303 3.294 27.431 35.034 1.00 0.00 O +HETATM16956 H1 T4P E 303 4.120 27.211 35.463 1.00 0.00 H +HETATM16957 H2 T4P E 303 3.244 28.386 35.086 1.00 0.00 H +HETATM16958 O T4P E 304 -11.430 24.429 -32.832 1.00 0.00 O +HETATM16959 H1 T4P E 304 -11.254 23.584 -32.417 1.00 0.00 H +HETATM16960 H2 T4P E 304 -12.086 24.840 -32.269 1.00 0.00 H +HETATM16961 O T4P E 305 6.065 10.853 -19.816 1.00 0.00 O +HETATM16962 H1 T4P E 305 5.578 11.498 -20.329 1.00 0.00 H +HETATM16963 H2 T4P E 305 5.713 10.008 -20.095 1.00 0.00 H +HETATM16964 O T4P E 306 19.432 -27.071 -42.840 1.00 0.00 O +HETATM16965 H1 T4P E 306 18.875 -27.687 -42.365 1.00 0.00 H +HETATM16966 H2 T4P E 306 19.436 -26.283 -42.297 1.00 0.00 H +HETATM16967 O T4P E 307 -7.686 -24.232 -43.799 1.00 0.00 O +HETATM16968 H1 T4P E 307 -7.813 -25.170 -43.942 1.00 0.00 H +HETATM16969 H2 T4P E 307 -8.049 -23.818 -44.583 1.00 0.00 H +HETATM16970 O T4P E 308 -0.017 29.062 -34.252 1.00 0.00 O +HETATM16971 H1 T4P E 308 0.810 28.855 -33.817 1.00 0.00 H +HETATM16972 H2 T4P E 308 0.179 28.992 -35.186 1.00 0.00 H +HETATM16973 O T4P E 309 -0.585 -20.154 -24.577 1.00 0.00 O +HETATM16974 H1 T4P E 309 0.175 -20.317 -24.017 1.00 0.00 H +HETATM16975 H2 T4P E 309 -1.127 -19.546 -24.074 1.00 0.00 H +HETATM16976 O T4P E 310 0.485 -14.532 -35.917 1.00 0.00 O +HETATM16977 H1 T4P E 310 0.485 -15.080 -35.132 1.00 0.00 H +HETATM16978 H2 T4P E 310 1.181 -14.895 -36.464 1.00 0.00 H +HETATM16979 O T4P E 311 -1.678 28.035 -38.948 1.00 0.00 O +HETATM16980 H1 T4P E 311 -2.141 27.199 -38.994 1.00 0.00 H +HETATM16981 H2 T4P E 311 -2.358 28.694 -39.094 1.00 0.00 H +HETATM16982 O T4P E 312 5.854 25.045 -34.657 1.00 0.00 O +HETATM16983 H1 T4P E 312 5.318 25.632 -34.124 1.00 0.00 H +HETATM16984 H2 T4P E 312 6.282 24.469 -34.024 1.00 0.00 H +HETATM16985 O T4P E 313 0.891 17.307 -33.091 1.00 0.00 O +HETATM16986 H1 T4P E 313 1.722 17.114 -33.523 1.00 0.00 H +HETATM16987 H2 T4P E 313 0.243 17.290 -33.796 1.00 0.00 H +HETATM16988 O T4P E 314 11.112 20.767 41.803 1.00 0.00 O 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0.00 H +HETATM17006 O T4P E 320 12.255 24.182 -32.907 1.00 0.00 O +HETATM17007 H1 T4P E 320 11.449 24.041 -33.405 1.00 0.00 H +HETATM17008 H2 T4P E 320 12.606 23.303 -32.766 1.00 0.00 H +HETATM17009 O T4P E 321 -12.202 18.875 -36.097 1.00 0.00 O +HETATM17010 H1 T4P E 321 -12.688 18.119 -35.768 1.00 0.00 H +HETATM17011 H2 T4P E 321 -12.753 19.229 -36.796 1.00 0.00 H +HETATM17012 O T4P E 322 -24.791 17.813 38.473 1.00 0.00 O +HETATM17013 H1 T4P E 322 -25.016 18.689 38.158 1.00 0.00 H +HETATM17014 H2 T4P E 322 -24.134 17.963 39.153 1.00 0.00 H +HETATM17015 O T4P E 323 -11.864 11.668 33.541 1.00 0.00 O +HETATM17016 H1 T4P E 323 -11.665 11.027 32.858 1.00 0.00 H +HETATM17017 H2 T4P E 323 -11.399 12.459 33.270 1.00 0.00 H +HETATM17018 O T4P E 324 -22.808 22.858 33.155 1.00 0.00 O +HETATM17019 H1 T4P E 324 -21.892 22.916 33.428 1.00 0.00 H +HETATM17020 H2 T4P E 324 -22.909 21.957 32.847 1.00 0.00 H +HETATM17021 O T4P E 325 -12.330 18.760 -40.345 1.00 0.00 O +HETATM17022 H1 T4P E 325 -11.421 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-39.932 1.00 0.00 O +HETATM17040 H1 T4P E 331 1.919 -23.213 -39.322 1.00 0.00 H +HETATM17041 H2 T4P E 331 3.283 -22.713 -39.748 1.00 0.00 H +HETATM17042 O T4P E 332 -6.625 22.090 -40.659 1.00 0.00 O +HETATM17043 H1 T4P E 332 -5.938 22.542 -41.148 1.00 0.00 H +HETATM17044 H2 T4P E 332 -6.182 21.745 -39.884 1.00 0.00 H +HETATM17045 O T4P E 333 -17.096 -29.048 41.877 1.00 0.00 O +HETATM17046 H1 T4P E 333 -16.292 -29.233 41.391 1.00 0.00 H +HETATM17047 H2 T4P E 333 -16.823 -28.456 42.578 1.00 0.00 H +HETATM17048 O T4P E 334 3.346 14.722 -29.556 1.00 0.00 O +HETATM17049 H1 T4P E 334 4.181 15.186 -29.504 1.00 0.00 H +HETATM17050 H2 T4P E 334 3.149 14.687 -30.492 1.00 0.00 H +HETATM17051 O T4P E 335 0.757 19.702 32.959 1.00 0.00 O +HETATM17052 H1 T4P E 335 0.570 19.102 32.238 1.00 0.00 H +HETATM17053 H2 T4P E 335 0.152 19.440 33.653 1.00 0.00 H +HETATM17054 O T4P E 336 -10.071 22.179 -31.280 1.00 0.00 O +HETATM17055 H1 T4P E 336 -11.016 22.166 -31.131 1.00 0.00 H +HETATM17056 H2 T4P E 336 -9.694 22.360 -30.419 1.00 0.00 H +HETATM17057 O T4P E 337 -6.406 5.737 23.728 1.00 0.00 O +HETATM17058 H1 T4P E 337 -6.531 6.675 23.870 1.00 0.00 H +HETATM17059 H2 T4P E 337 -7.234 5.340 24.002 1.00 0.00 H +HETATM17060 O T4P E 338 31.410 24.578 -37.135 1.00 0.00 O +HETATM17061 H1 T4P E 338 30.829 24.577 -37.896 1.00 0.00 H +HETATM17062 H2 T4P E 338 30.979 25.154 -36.504 1.00 0.00 H +HETATM17063 O T4P E 339 -2.491 18.221 -44.847 1.00 0.00 O +HETATM17064 H1 T4P E 339 -1.657 18.573 -45.157 1.00 0.00 H +HETATM17065 H2 T4P E 339 -3.090 18.967 -44.871 1.00 0.00 H +HETATM17066 O T4P E 340 2.066 0.073 -45.976 1.00 0.00 O +HETATM17067 H1 T4P E 340 1.842 1.002 -45.921 1.00 0.00 H +HETATM17068 H2 T4P E 340 1.509 -0.347 -45.321 1.00 0.00 H +HETATM17069 O T4P E 341 29.356 16.545 32.081 1.00 0.00 O +HETATM17070 H1 T4P E 341 29.116 16.069 31.286 1.00 0.00 H +HETATM17071 H2 T4P E 341 30.239 16.871 31.908 1.00 0.00 H +HETATM17072 O T4P E 342 -12.374 10.226 -45.139 1.00 0.00 O +HETATM17073 H1 T4P E 342 -12.492 10.583 -44.258 1.00 0.00 H +HETATM17074 H2 T4P E 342 -13.169 10.480 -45.609 1.00 0.00 H +HETATM17075 O T4P E 343 12.008 25.769 45.142 1.00 0.00 O +HETATM17076 H1 T4P E 343 11.753 25.432 44.283 1.00 0.00 H +HETATM17077 H2 T4P E 343 12.520 25.062 45.534 1.00 0.00 H +HETATM17078 O T4P E 344 12.745 19.194 22.703 1.00 0.00 O +HETATM17079 H1 T4P E 344 11.998 18.695 22.373 1.00 0.00 H +HETATM17080 H2 T4P E 344 12.738 20.003 22.192 1.00 0.00 H +HETATM17081 O T4P E 345 -9.237 -20.751 -26.553 1.00 0.00 O +HETATM17082 H1 T4P E 345 -9.772 -20.826 -27.343 1.00 0.00 H +HETATM17083 H2 T4P E 345 -9.063 -21.655 -26.294 1.00 0.00 H +HETATM17084 O T4P E 346 -5.805 -28.442 -37.555 1.00 0.00 O +HETATM17085 H1 T4P E 346 -6.327 -27.662 -37.368 1.00 0.00 H +HETATM17086 H2 T4P E 346 -6.448 -29.109 -37.796 1.00 0.00 H +HETATM17087 O T4P E 347 -7.140 17.322 35.674 1.00 0.00 O +HETATM17088 H1 T4P E 347 -7.549 17.585 36.498 1.00 0.00 H +HETATM17089 H2 T4P E 347 -6.823 18.140 35.291 1.00 0.00 H +HETATM17090 O T4P E 348 -31.292 19.067 -34.611 1.00 0.00 O +HETATM17091 H1 T4P E 348 -31.234 18.701 -33.728 1.00 0.00 H +HETATM17092 H2 T4P E 348 -30.387 19.273 -34.844 1.00 0.00 H +HETATM17093 O T4P E 349 -10.862 -28.825 -45.561 1.00 0.00 O +HETATM17094 H1 T4P E 349 -11.438 -28.265 -46.082 1.00 0.00 H +HETATM17095 H2 T4P E 349 -11.174 -29.714 -45.730 1.00 0.00 H +HETATM17096 O T4P E 350 -6.176 3.202 -41.252 1.00 0.00 O +HETATM17097 H1 T4P E 350 -6.868 3.829 -41.463 1.00 0.00 H +HETATM17098 H2 T4P E 350 -5.564 3.694 -40.704 1.00 0.00 H +HETATM17099 O T4P E 351 0.696 12.429 46.363 1.00 0.00 O +HETATM17100 H1 T4P E 351 0.531 11.607 45.900 1.00 0.00 H +HETATM17101 H2 T4P E 351 0.472 13.110 45.730 1.00 0.00 H +HETATM17102 O T4P E 352 -1.223 8.075 -30.308 1.00 0.00 O +HETATM17103 H1 T4P E 352 -1.256 8.464 -31.182 1.00 0.00 H +HETATM17104 H2 T4P E 352 -0.971 7.164 -30.460 1.00 0.00 H +HETATM17105 O T4P E 353 13.751 -29.375 -33.875 1.00 0.00 O +HETATM17106 H1 T4P E 353 13.532 -30.110 -34.448 1.00 0.00 H 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0.00 H +HETATM17158 H2 T4P E 370 0.854 11.686 -34.654 1.00 0.00 H +HETATM17159 O T4P E 371 -23.686 21.632 40.689 1.00 0.00 O +HETATM17160 H1 T4P E 371 -23.832 22.577 40.680 1.00 0.00 H +HETATM17161 H2 T4P E 371 -24.204 21.301 39.955 1.00 0.00 H +HETATM17162 O T4P E 372 10.912 10.853 43.931 1.00 0.00 O +HETATM17163 H1 T4P E 372 11.000 11.572 44.557 1.00 0.00 H +HETATM17164 H2 T4P E 372 10.264 10.269 44.325 1.00 0.00 H +HETATM17165 O T4P E 373 12.138 -13.221 39.589 1.00 0.00 O +HETATM17166 H1 T4P E 373 11.425 -12.737 39.174 1.00 0.00 H +HETATM17167 H2 T4P E 373 12.832 -12.572 39.708 1.00 0.00 H +HETATM17168 O T4P E 374 0.005 17.698 -38.510 1.00 0.00 O +HETATM17169 H1 T4P E 374 0.905 17.945 -38.720 1.00 0.00 H +HETATM17170 H2 T4P E 374 -0.200 18.191 -37.716 1.00 0.00 H +HETATM17171 O T4P E 375 10.527 24.482 37.976 1.00 0.00 O +HETATM17172 H1 T4P E 375 10.468 23.959 37.177 1.00 0.00 H +HETATM17173 H2 T4P E 375 9.658 24.872 38.072 1.00 0.00 H +HETATM17174 O T4P E 376 7.821 16.338 26.010 1.00 0.00 O +HETATM17175 H1 T4P E 376 7.624 16.080 25.109 1.00 0.00 H +HETATM17176 H2 T4P E 376 7.122 16.949 26.243 1.00 0.00 H +HETATM17177 O T4P E 377 11.195 18.500 -32.886 1.00 0.00 O +HETATM17178 H1 T4P E 377 11.044 18.590 -31.945 1.00 0.00 H +HETATM17179 H2 T4P E 377 10.592 17.809 -33.161 1.00 0.00 H +HETATM17180 O T4P E 378 32.809 28.290 -38.280 1.00 0.00 O +HETATM17181 H1 T4P E 378 32.672 29.006 -38.900 1.00 0.00 H +HETATM17182 H2 T4P E 378 32.545 27.504 -38.759 1.00 0.00 H +HETATM17183 O T4P E 379 -12.258 24.347 -44.622 1.00 0.00 O +HETATM17184 H1 T4P E 379 -12.030 23.883 -43.817 1.00 0.00 H +HETATM17185 H2 T4P E 379 -12.641 23.675 -45.186 1.00 0.00 H +HETATM17186 O T4P E 380 -11.048 11.686 40.959 1.00 0.00 O +HETATM17187 H1 T4P E 380 -10.596 10.850 41.070 1.00 0.00 H +HETATM17188 H2 T4P E 380 -11.213 11.991 41.851 1.00 0.00 H +HETATM17189 O T4P E 381 -0.109 8.865 29.161 1.00 0.00 O +HETATM17190 H1 T4P E 381 0.624 8.309 29.422 1.00 0.00 H +HETATM17191 H2 T4P E 381 -0.153 8.775 28.209 1.00 0.00 H +HETATM17192 O T4P E 382 -3.485 -13.219 -30.243 1.00 0.00 O +HETATM17193 H1 T4P E 382 -4.171 -13.267 -30.908 1.00 0.00 H +HETATM17194 H2 T4P E 382 -3.384 -14.120 -29.937 1.00 0.00 H +HETATM17195 O T4P E 383 -16.744 7.057 -36.988 1.00 0.00 O +HETATM17196 H1 T4P E 383 -16.336 7.917 -36.889 1.00 0.00 H +HETATM17197 H2 T4P E 383 -16.009 6.456 -37.113 1.00 0.00 H +HETATM17198 O T4P E 384 -3.443 16.295 27.561 1.00 0.00 O +HETATM17199 H1 T4P E 384 -4.117 16.970 27.474 1.00 0.00 H +HETATM17200 H2 T4P E 384 -3.142 16.140 26.665 1.00 0.00 H +HETATM17201 O T4P E 385 2.443 24.991 -35.539 1.00 0.00 O +HETATM17202 H1 T4P E 385 2.518 25.898 -35.837 1.00 0.00 H +HETATM17203 H2 T4P E 385 2.960 24.960 -34.734 1.00 0.00 H +HETATM17204 O T4P E 386 4.214 20.220 -40.285 1.00 0.00 O +HETATM17205 H1 T4P E 386 4.504 20.832 -39.608 1.00 0.00 H +HETATM17206 H2 T4P E 386 4.921 19.579 -40.348 1.00 0.00 H +HETATM17207 O T4P E 387 -6.229 22.470 34.360 1.00 0.00 O +HETATM17208 H1 T4P E 387 -6.681 22.374 35.198 1.00 0.00 H +HETATM17209 H2 T4P E 387 -5.449 22.986 34.566 1.00 0.00 H +HETATM17210 O T4P E 388 1.361 25.589 -20.764 1.00 0.00 O +HETATM17211 H1 T4P E 388 0.838 25.733 -19.976 1.00 0.00 H +HETATM17212 H2 T4P E 388 1.466 26.461 -21.145 1.00 0.00 H +HETATM17213 O T4P E 389 -1.194 21.547 -22.267 1.00 0.00 O +HETATM17214 H1 T4P E 389 -0.355 21.999 -22.180 1.00 0.00 H +HETATM17215 H2 T4P E 389 -1.685 21.799 -21.484 1.00 0.00 H +HETATM17216 O T4P E 390 -8.193 17.142 -34.791 1.00 0.00 O +HETATM17217 H1 T4P E 390 -8.820 17.293 -35.498 1.00 0.00 H +HETATM17218 H2 T4P E 390 -7.725 17.973 -34.704 1.00 0.00 H +HETATM17219 O T4P E 391 -14.649 20.582 -43.416 1.00 0.00 O +HETATM17220 H1 T4P E 391 -15.552 20.698 -43.121 1.00 0.00 H +HETATM17221 H2 T4P E 391 -14.652 20.884 -44.324 1.00 0.00 H +HETATM17222 O T4P E 392 10.578 28.029 -25.845 1.00 0.00 O +HETATM17223 H1 T4P E 392 10.668 27.978 -24.893 1.00 0.00 H +HETATM17224 H2 T4P E 392 10.033 27.277 -26.075 1.00 0.00 H +HETATM17225 O T4P E 393 12.909 25.804 38.238 1.00 0.00 O +HETATM17226 H1 T4P E 393 12.024 25.451 38.142 1.00 0.00 H +HETATM17227 H2 T4P E 393 13.437 25.298 37.619 1.00 0.00 H +HETATM17228 O T4P E 394 1.045 11.240 -22.686 1.00 0.00 O +HETATM17229 H1 T4P E 394 1.806 11.413 -23.240 1.00 0.00 H +HETATM17230 H2 T4P E 394 0.375 10.920 -23.291 1.00 0.00 H +HETATM17231 O T4P E 395 -1.364 20.660 44.318 1.00 0.00 O +HETATM17232 H1 T4P E 395 -1.997 19.980 44.088 1.00 0.00 H +HETATM17233 H2 T4P E 395 -1.887 21.459 44.393 1.00 0.00 H +HETATM17234 O T4P E 396 -30.074 23.958 -35.533 1.00 0.00 O +HETATM17235 H1 T4P E 396 -30.612 23.170 -35.459 1.00 0.00 H +HETATM17236 H2 T4P E 396 -30.620 24.577 -36.017 1.00 0.00 H +HETATM17237 O T4P E 397 13.252 18.379 -37.834 1.00 0.00 O +HETATM17238 H1 T4P E 397 13.306 17.858 -38.635 1.00 0.00 H +HETATM17239 H2 T4P E 397 12.606 17.923 -37.295 1.00 0.00 H +HETATM17240 O T4P E 398 -33.523 13.905 25.362 1.00 0.00 O +HETATM17241 H1 T4P E 398 -34.238 14.498 25.132 1.00 0.00 H +HETATM17242 H2 T4P E 398 -33.091 13.715 24.529 1.00 0.00 H +HETATM17243 O T4P E 399 -2.691 21.025 -29.261 1.00 0.00 O +HETATM17244 H1 T4P E 399 -2.294 21.656 -29.863 1.00 0.00 H +HETATM17245 H2 T4P E 399 -2.308 21.233 -28.409 1.00 0.00 H +HETATM17246 O T4P E 400 13.490 28.955 31.597 1.00 0.00 O +HETATM17247 H1 T4P E 400 13.757 29.860 31.435 1.00 0.00 H +HETATM17248 H2 T4P E 400 12.535 28.973 31.543 1.00 0.00 H +HETATM17249 O T4P E 401 -11.756 -1.363 -37.266 1.00 0.00 O +HETATM17250 H1 T4P E 401 -11.309 -2.055 -37.753 1.00 0.00 H +HETATM17251 H2 T4P E 401 -11.097 -0.675 -37.168 1.00 0.00 H +HETATM17252 O T4P E 402 7.672 19.585 -26.669 1.00 0.00 O +HETATM17253 H1 T4P E 402 7.486 20.409 -26.218 1.00 0.00 H +HETATM17254 H2 T4P E 402 8.331 19.156 -26.122 1.00 0.00 H +HETATM17255 O T4P E 403 -4.136 9.261 -31.249 1.00 0.00 O +HETATM17256 H1 T4P E 403 -3.716 8.599 -31.798 1.00 0.00 H +HETATM17257 H2 T4P E 403 -4.999 9.386 -31.643 1.00 0.00 H +HETATM17258 O T4P E 404 1.068 18.783 -43.772 1.00 0.00 O 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-26.626 44.260 1.00 0.00 H +HETATM17276 O T4P E 410 -3.000 15.095 -36.711 1.00 0.00 O +HETATM17277 H1 T4P E 410 -2.677 15.073 -35.810 1.00 0.00 H +HETATM17278 H2 T4P E 410 -3.594 15.845 -36.735 1.00 0.00 H +HETATM17279 O T4P E 411 -14.437 14.747 -31.035 1.00 0.00 O +HETATM17280 H1 T4P E 411 -14.678 14.628 -30.116 1.00 0.00 H +HETATM17281 H2 T4P E 411 -15.248 15.021 -31.463 1.00 0.00 H +HETATM17282 O T4P E 412 -16.255 24.415 32.745 1.00 0.00 O +HETATM17283 H1 T4P E 412 -16.964 24.190 32.142 1.00 0.00 H +HETATM17284 H2 T4P E 412 -16.613 25.121 33.283 1.00 0.00 H +HETATM17285 O T4P E 413 1.563 -27.512 -20.508 1.00 0.00 O +HETATM17286 H1 T4P E 413 0.813 -28.020 -20.197 1.00 0.00 H +HETATM17287 H2 T4P E 413 1.893 -27.069 -19.726 1.00 0.00 H +HETATM17288 O T4P E 414 -7.503 -20.207 -42.851 1.00 0.00 O +HETATM17289 H1 T4P E 414 -6.899 -20.123 -42.114 1.00 0.00 H +HETATM17290 H2 T4P E 414 -8.065 -19.434 -42.790 1.00 0.00 H +HETATM17291 O T4P E 415 -1.490 12.197 -42.477 1.00 0.00 O +HETATM17292 H1 T4P E 415 -1.902 12.692 -41.768 1.00 0.00 H +HETATM17293 H2 T4P E 415 -1.480 12.803 -43.218 1.00 0.00 H +HETATM17294 O T4P E 416 6.074 28.806 37.969 1.00 0.00 O +HETATM17295 H1 T4P E 416 6.445 28.182 38.593 1.00 0.00 H +HETATM17296 H2 T4P E 416 6.806 29.039 37.398 1.00 0.00 H +HETATM17297 O T4P E 417 33.445 -1.619 -46.363 1.00 0.00 O +HETATM17298 H1 T4P E 417 32.606 -1.473 -46.800 1.00 0.00 H +HETATM17299 H2 T4P E 417 33.462 -0.976 -45.654 1.00 0.00 H +HETATM17300 O T4P E 418 19.428 -22.245 -30.354 1.00 0.00 O +HETATM17301 H1 T4P E 418 19.659 -21.670 -29.625 1.00 0.00 H +HETATM17302 H2 T4P E 418 18.564 -21.941 -30.634 1.00 0.00 H +HETATM17303 O T4P E 419 11.574 13.754 34.843 1.00 0.00 O +HETATM17304 H1 T4P E 419 11.776 12.962 35.341 1.00 0.00 H +HETATM17305 H2 T4P E 419 11.008 14.264 35.423 1.00 0.00 H +HETATM17306 O T4P E 420 -11.202 26.991 -17.907 1.00 0.00 O +HETATM17307 H1 T4P E 420 -11.296 26.610 -18.780 1.00 0.00 H +HETATM17308 H2 T4P E 420 -12.083 27.286 -17.677 1.00 0.00 H 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-21.860 1.00 0.00 H +HETATM17326 H2 T4P E 426 17.235 22.386 -21.845 1.00 0.00 H +HETATM17327 O T4P E 427 25.562 21.366 -29.347 1.00 0.00 O +HETATM17328 H1 T4P E 427 24.664 21.161 -29.087 1.00 0.00 H +HETATM17329 H2 T4P E 427 25.606 21.123 -30.272 1.00 0.00 H +HETATM17330 O T4P E 428 -16.290 -2.652 -43.226 1.00 0.00 O +HETATM17331 H1 T4P E 428 -15.640 -2.003 -43.494 1.00 0.00 H +HETATM17332 H2 T4P E 428 -16.278 -2.624 -42.269 1.00 0.00 H +HETATM17333 O T4P E 429 -27.935 0.548 33.052 1.00 0.00 O +HETATM17334 H1 T4P E 429 -27.859 -0.099 33.754 1.00 0.00 H +HETATM17335 H2 T4P E 429 -27.733 1.383 33.473 1.00 0.00 H +HETATM17336 O T4P E 430 5.072 15.877 -26.543 1.00 0.00 O +HETATM17337 H1 T4P E 430 4.579 15.177 -26.115 1.00 0.00 H +HETATM17338 H2 T4P E 430 5.568 16.289 -25.835 1.00 0.00 H +HETATM17339 O T4P E 431 7.045 15.648 -22.314 1.00 0.00 O +HETATM17340 H1 T4P E 431 7.381 15.245 -21.513 1.00 0.00 H +HETATM17341 H2 T4P E 431 7.029 14.935 -22.952 1.00 0.00 H +HETATM17342 O T4P E 432 8.188 24.573 -36.473 1.00 0.00 O +HETATM17343 H1 T4P E 432 7.488 25.023 -35.998 1.00 0.00 H +HETATM17344 H2 T4P E 432 8.888 24.471 -35.828 1.00 0.00 H +HETATM17345 O T4P E 433 -1.100 16.155 42.363 1.00 0.00 O +HETATM17346 H1 T4P E 433 -1.937 15.792 42.073 1.00 0.00 H +HETATM17347 H2 T4P E 433 -0.459 15.804 41.745 1.00 0.00 H +HETATM17348 O T4P E 434 2.421 27.401 -32.318 1.00 0.00 O +HETATM17349 H1 T4P E 434 1.642 26.851 -32.231 1.00 0.00 H +HETATM17350 H2 T4P E 434 2.203 28.203 -31.842 1.00 0.00 H +HETATM17351 O T4P E 435 8.045 28.686 -39.530 1.00 0.00 O +HETATM17352 H1 T4P E 435 7.769 27.802 -39.769 1.00 0.00 H +HETATM17353 H2 T4P E 435 9.002 28.648 -39.533 1.00 0.00 H +HETATM17354 O T4P E 436 -7.133 24.057 -29.131 1.00 0.00 O +HETATM17355 H1 T4P E 436 -7.440 24.729 -28.521 1.00 0.00 H +HETATM17356 H2 T4P E 436 -6.201 23.961 -28.933 1.00 0.00 H +HETATM17357 O T4P E 437 -7.939 -28.881 35.083 1.00 0.00 O +HETATM17358 H1 T4P E 437 -8.643 -28.708 35.708 1.00 0.00 H +HETATM17359 H2 T4P E 437 -7.185 -28.405 35.433 1.00 0.00 H +HETATM17360 O T4P E 438 -6.941 23.804 -34.412 1.00 0.00 O +HETATM17361 H1 T4P E 438 -7.336 23.029 -34.812 1.00 0.00 H +HETATM17362 H2 T4P E 438 -7.442 23.940 -33.608 1.00 0.00 H +HETATM17363 O T4P E 439 -14.973 5.679 -33.414 1.00 0.00 O +HETATM17364 H1 T4P E 439 -14.615 6.464 -33.828 1.00 0.00 H +HETATM17365 H2 T4P E 439 -14.545 4.952 -33.867 1.00 0.00 H +HETATM17366 O T4P E 440 -12.049 22.444 43.864 1.00 0.00 O +HETATM17367 H1 T4P E 440 -12.240 22.431 42.926 1.00 0.00 H +HETATM17368 H2 T4P E 440 -11.264 21.904 43.956 1.00 0.00 H +HETATM17369 O T4P E 441 1.214 19.705 -28.731 1.00 0.00 O +HETATM17370 H1 T4P E 441 1.946 19.757 -28.116 1.00 0.00 H +HETATM17371 H2 T4P E 441 0.780 20.556 -28.660 1.00 0.00 H +HETATM17372 O T4P E 442 -14.694 -23.225 29.925 1.00 0.00 O +HETATM17373 H1 T4P E 442 -14.188 -23.084 29.125 1.00 0.00 H +HETATM17374 H2 T4P E 442 -15.370 -23.854 29.674 1.00 0.00 H +HETATM17375 O T4P E 443 -5.138 16.041 -32.957 1.00 0.00 O +HETATM17376 H1 T4P E 443 -5.966 15.564 -32.908 1.00 0.00 H +HETATM17377 H2 T4P E 443 -4.537 15.434 -33.391 1.00 0.00 H +HETATM17378 O T4P E 444 23.646 10.945 45.902 1.00 0.00 O +HETATM17379 H1 T4P E 444 24.069 10.444 46.600 1.00 0.00 H +HETATM17380 H2 T4P E 444 22.910 11.380 46.332 1.00 0.00 H +HETATM17381 O T4P E 445 7.782 9.972 -32.108 1.00 0.00 O +HETATM17382 H1 T4P E 445 7.171 10.050 -31.376 1.00 0.00 H +HETATM17383 H2 T4P E 445 7.224 9.946 -32.885 1.00 0.00 H +HETATM17384 O T4P E 446 -3.646 -27.280 -36.033 1.00 0.00 O +HETATM17385 H1 T4P E 446 -3.730 -27.779 -35.221 1.00 0.00 H +HETATM17386 H2 T4P E 446 -4.238 -27.718 -36.645 1.00 0.00 H +HETATM17387 O T4P E 447 -2.273 23.086 -30.977 1.00 0.00 O +HETATM17388 H1 T4P E 447 -2.015 22.459 -31.653 1.00 0.00 H +HETATM17389 H2 T4P E 447 -1.590 23.757 -31.000 1.00 0.00 H +HETATM17390 O T4P E 448 -9.985 25.886 -23.443 1.00 0.00 O +HETATM17391 H1 T4P E 448 -10.387 26.754 -23.424 1.00 0.00 H +HETATM17392 H2 T4P E 448 -10.194 25.543 -24.311 1.00 0.00 H +HETATM17393 O T4P E 449 6.923 3.034 45.228 1.00 0.00 O +HETATM17394 H1 T4P E 449 6.996 2.745 46.137 1.00 0.00 H +HETATM17395 H2 T4P E 449 6.083 2.684 44.931 1.00 0.00 H +HETATM17396 O T4P E 450 -18.140 -23.710 -39.331 1.00 0.00 O +HETATM17397 H1 T4P E 450 -17.601 -24.428 -39.000 1.00 0.00 H +HETATM17398 H2 T4P E 450 -18.667 -24.106 -40.026 1.00 0.00 H +HETATM17399 O T4P E 451 14.324 21.163 41.303 1.00 0.00 O +HETATM17400 H1 T4P E 451 14.183 20.235 41.493 1.00 0.00 H +HETATM17401 H2 T4P E 451 14.561 21.547 42.147 1.00 0.00 H +HETATM17402 O T4P E 452 8.793 11.938 -40.973 1.00 0.00 O +HETATM17403 H1 T4P E 452 8.003 11.978 -41.511 1.00 0.00 H +HETATM17404 H2 T4P E 452 8.915 11.006 -40.794 1.00 0.00 H +HETATM17405 O T4P E 453 -13.161 -17.765 -33.315 1.00 0.00 O +HETATM17406 H1 T4P E 453 -12.546 -18.424 -32.993 1.00 0.00 H +HETATM17407 H2 T4P E 453 -12.609 -17.024 -33.566 1.00 0.00 H +HETATM17408 O T4P E 454 -2.339 25.289 -38.854 1.00 0.00 O +HETATM17409 H1 T4P E 454 -1.730 24.631 -38.520 1.00 0.00 H +HETATM17410 H2 T4P E 454 -2.749 24.874 -39.613 1.00 0.00 H +HETATM17411 O T4P E 455 -3.838 26.406 39.364 1.00 0.00 O +HETATM17412 H1 T4P E 455 -4.602 26.206 39.904 1.00 0.00 H +HETATM17413 H2 T4P E 455 -3.093 26.312 39.958 1.00 0.00 H +HETATM17414 O T4P E 456 5.749 -19.498 -31.711 1.00 0.00 O +HETATM17415 H1 T4P E 456 5.461 -18.606 -31.515 1.00 0.00 H +HETATM17416 H2 T4P E 456 6.685 -19.497 -31.512 1.00 0.00 H +HETATM17417 O T4P E 457 2.637 19.795 -24.065 1.00 0.00 O +HETATM17418 H1 T4P E 457 2.192 20.186 -23.314 1.00 0.00 H +HETATM17419 H2 T4P E 457 3.128 19.060 -23.698 1.00 0.00 H +HETATM17420 O T4P E 458 18.932 18.151 -41.566 1.00 0.00 O +HETATM17421 H1 T4P E 458 18.065 18.556 -41.604 1.00 0.00 H +HETATM17422 H2 T4P E 458 19.069 17.964 -40.637 1.00 0.00 H +HETATM17423 O T4P E 459 -6.914 27.865 28.983 1.00 0.00 O +HETATM17424 H1 T4P E 459 -6.415 27.226 29.491 1.00 0.00 H +HETATM17425 H2 T4P E 459 -6.346 28.079 28.243 1.00 0.00 H +HETATM17426 O T4P E 460 -10.566 18.538 40.850 1.00 0.00 O +HETATM17427 H1 T4P E 460 -10.636 18.078 40.014 1.00 0.00 H +HETATM17428 H2 T4P E 460 -11.454 18.525 41.206 1.00 0.00 H +HETATM17429 O T4P E 461 -9.571 25.372 20.668 1.00 0.00 O +HETATM17430 H1 T4P E 461 -10.322 25.964 20.624 1.00 0.00 H +HETATM17431 H2 T4P E 461 -9.780 24.673 20.049 1.00 0.00 H +HETATM17432 O T4P E 462 13.574 -14.673 -40.897 1.00 0.00 O +HETATM17433 H1 T4P E 462 12.941 -15.326 -41.193 1.00 0.00 H +HETATM17434 H2 T4P E 462 13.345 -14.513 -39.981 1.00 0.00 H +HETATM17435 O T4P E 463 -3.779 -25.958 33.937 1.00 0.00 O +HETATM17436 H1 T4P E 463 -2.851 -26.185 33.995 1.00 0.00 H +HETATM17437 H2 T4P E 463 -3.974 -25.983 33.000 1.00 0.00 H +HETATM17438 O T4P E 464 18.067 17.609 38.935 1.00 0.00 O +HETATM17439 H1 T4P E 464 18.130 17.952 38.044 1.00 0.00 H +HETATM17440 H2 T4P E 464 18.230 18.367 39.496 1.00 0.00 H +HETATM17441 O T4P E 465 13.851 23.732 45.673 1.00 0.00 O +HETATM17442 H1 T4P E 465 14.219 24.389 45.081 1.00 0.00 H +HETATM17443 H2 T4P E 465 14.564 23.527 46.277 1.00 0.00 H +HETATM17444 O T4P E 466 -8.579 24.138 45.520 1.00 0.00 O +HETATM17445 H1 T4P E 466 -9.351 24.614 45.217 1.00 0.00 H +HETATM17446 H2 T4P E 466 -7.863 24.470 44.978 1.00 0.00 H +HETATM17447 O T4P E 467 9.339 27.272 40.433 1.00 0.00 O +HETATM17448 H1 T4P E 467 10.095 27.587 39.937 1.00 0.00 H +HETATM17449 H2 T4P E 467 8.851 26.734 39.810 1.00 0.00 H +HETATM17450 O T4P E 468 -0.005 14.078 44.255 1.00 0.00 O +HETATM17451 H1 T4P E 468 -0.654 14.261 43.576 1.00 0.00 H +HETATM17452 H2 T4P E 468 0.519 14.877 44.306 1.00 0.00 H +HETATM17453 O T4P E 469 -22.318 21.972 -41.233 1.00 0.00 O +HETATM17454 H1 T4P E 469 -21.918 21.440 -41.921 1.00 0.00 H +HETATM17455 H2 T4P E 469 -21.603 22.154 -40.624 1.00 0.00 H +HETATM17456 O T4P E 470 -7.887 -17.908 26.605 1.00 0.00 O +HETATM17457 H1 T4P E 470 -8.745 -18.307 26.750 1.00 0.00 H +HETATM17458 H2 T4P E 470 -7.515 -17.814 27.482 1.00 0.00 H +HETATM17459 O T4P E 471 1.495 16.545 -42.218 1.00 0.00 O +HETATM17460 H1 T4P E 471 1.628 17.350 -42.718 1.00 0.00 H +HETATM17461 H2 T4P E 471 0.592 16.602 -41.906 1.00 0.00 H +HETATM17462 O T4P E 472 -1.521 20.739 -43.204 1.00 0.00 O +HETATM17463 H1 T4P E 472 -1.336 20.932 -42.285 1.00 0.00 H +HETATM17464 H2 T4P E 472 -2.476 20.724 -43.259 1.00 0.00 H +HETATM17465 O T4P E 473 19.168 12.505 -34.074 1.00 0.00 O +HETATM17466 H1 T4P E 473 18.258 12.718 -33.870 1.00 0.00 H +HETATM17467 H2 T4P E 473 19.194 11.548 -34.087 1.00 0.00 H +HETATM17468 O T4P E 474 12.637 17.709 35.958 1.00 0.00 O +HETATM17469 H1 T4P E 474 12.766 17.267 35.119 1.00 0.00 H +HETATM17470 H2 T4P E 474 13.445 18.204 36.095 1.00 0.00 H +HETATM17471 O T4P E 475 9.216 -13.262 39.173 1.00 0.00 O +HETATM17472 H1 T4P E 475 8.387 -12.799 39.292 1.00 0.00 H +HETATM17473 H2 T4P E 475 9.254 -13.879 39.904 1.00 0.00 H +HETATM17474 O T4P E 476 -4.298 13.026 -38.100 1.00 0.00 O +HETATM17475 H1 T4P E 476 -3.791 13.373 -38.834 1.00 0.00 H +HETATM17476 H2 T4P E 476 -3.948 13.477 -37.332 1.00 0.00 H +HETATM17477 O T4P E 477 2.931 21.336 -32.390 1.00 0.00 O +HETATM17478 H1 T4P E 477 2.862 20.624 -31.753 1.00 0.00 H +HETATM17479 H2 T4P E 477 2.399 21.048 -33.131 1.00 0.00 H +HETATM17480 O T4P E 478 -8.426 28.195 40.846 1.00 0.00 O +HETATM17481 H1 T4P E 478 -8.037 28.721 40.146 1.00 0.00 H +HETATM17482 H2 T4P E 478 -9.370 28.293 40.723 1.00 0.00 H +HETATM17483 O T4P E 479 11.282 -19.422 -41.303 1.00 0.00 O +HETATM17484 H1 T4P E 479 11.822 -18.651 -41.132 1.00 0.00 H +HETATM17485 H2 T4P E 479 11.408 -19.979 -40.535 1.00 0.00 H +HETATM17486 O T4P E 480 3.893 12.475 -27.591 1.00 0.00 O +HETATM17487 H1 T4P E 480 4.148 13.274 -28.052 1.00 0.00 H +HETATM17488 H2 T4P E 480 3.510 12.785 -26.769 1.00 0.00 H +HETATM17489 O T4P E 481 -11.949 16.181 -37.528 1.00 0.00 O +HETATM17490 H1 T4P E 481 -11.129 16.264 -37.041 1.00 0.00 H +HETATM17491 H2 T4P E 481 -11.857 15.363 -38.016 1.00 0.00 H +HETATM17492 O T4P E 482 11.516 13.119 -37.102 1.00 0.00 O +HETATM17493 H1 T4P E 482 11.821 12.220 -37.220 1.00 0.00 H 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-37.534 1.00 0.00 O +HETATM17511 H1 T4P E 488 11.984 -20.688 -37.117 1.00 0.00 H +HETATM17512 H2 T4P E 488 12.681 -20.961 -38.433 1.00 0.00 H +HETATM17513 O T4P E 489 -29.763 20.004 43.232 1.00 0.00 O +HETATM17514 H1 T4P E 489 -30.390 19.636 43.856 1.00 0.00 H +HETATM17515 H2 T4P E 489 -29.140 20.486 43.775 1.00 0.00 H +HETATM17516 O T4P E 490 1.342 -18.569 32.420 1.00 0.00 O +HETATM17517 H1 T4P E 490 0.855 -19.097 33.052 1.00 0.00 H +HETATM17518 H2 T4P E 490 1.227 -17.667 32.721 1.00 0.00 H +HETATM17519 O T4P E 491 -2.104 -13.368 38.396 1.00 0.00 O +HETATM17520 H1 T4P E 491 -2.445 -14.082 38.933 1.00 0.00 H +HETATM17521 H2 T4P E 491 -2.261 -13.649 37.494 1.00 0.00 H +HETATM17522 O T4P E 492 8.901 -22.257 26.932 1.00 0.00 O +HETATM17523 H1 T4P E 492 9.508 -21.803 26.347 1.00 0.00 H +HETATM17524 H2 T4P E 492 8.142 -21.676 26.988 1.00 0.00 H +HETATM17525 O T4P E 493 -16.672 -16.443 36.874 1.00 0.00 O +HETATM17526 H1 T4P E 493 -17.043 -17.263 37.200 1.00 0.00 H +HETATM17527 H2 T4P E 493 -17.334 -16.102 36.273 1.00 0.00 H +HETATM17528 O T4P E 494 -4.668 -16.225 43.949 1.00 0.00 O +HETATM17529 H1 T4P E 494 -5.103 -15.409 44.197 1.00 0.00 H +HETATM17530 H2 T4P E 494 -5.364 -16.763 43.571 1.00 0.00 H +HETATM17531 O T4P E 495 -10.001 -16.808 35.772 1.00 0.00 O +HETATM17532 H1 T4P E 495 -9.279 -17.287 35.366 1.00 0.00 H +HETATM17533 H2 T4P E 495 -10.521 -16.488 35.035 1.00 0.00 H +HETATM17534 O T4P E 496 8.474 20.203 41.075 1.00 0.00 O +HETATM17535 H1 T4P E 496 7.820 20.040 41.755 1.00 0.00 H +HETATM17536 H2 T4P E 496 9.291 20.338 41.555 1.00 0.00 H +HETATM17537 O T4P E 497 -6.397 26.404 -40.546 1.00 0.00 O +HETATM17538 H1 T4P E 497 -6.893 26.138 -39.772 1.00 0.00 H +HETATM17539 H2 T4P E 497 -6.873 26.016 -41.280 1.00 0.00 H +HETATM17540 O T4P E 498 -30.965 17.912 26.453 1.00 0.00 O +HETATM17541 H1 T4P E 498 -30.335 18.326 25.864 1.00 0.00 H +HETATM17542 H2 T4P E 498 -30.469 17.740 27.253 1.00 0.00 H +HETATM17543 O T4P E 499 3.237 -13.772 41.389 1.00 0.00 O +HETATM17544 H1 T4P E 499 2.525 -13.216 41.704 1.00 0.00 H +HETATM17545 H2 T4P E 499 2.817 -14.606 41.181 1.00 0.00 H +HETATM17546 O T4P E 500 4.786 -17.461 -39.268 1.00 0.00 O +HETATM17547 H1 T4P E 500 5.492 -16.850 -39.060 1.00 0.00 H +HETATM17548 H2 T4P E 500 5.052 -17.865 -40.094 1.00 0.00 H +HETATM17549 O T4P E 501 12.451 14.833 -44.594 1.00 0.00 O +HETATM17550 H1 T4P E 501 12.174 14.818 -43.678 1.00 0.00 H +HETATM17551 H2 T4P E 501 11.657 15.051 -45.082 1.00 0.00 H +HETATM17552 O T4P E 502 2.513 23.188 39.849 1.00 0.00 O +HETATM17553 H1 T4P E 502 1.712 22.783 39.516 1.00 0.00 H +HETATM17554 H2 T4P E 502 2.254 23.579 40.684 1.00 0.00 H +HETATM17555 O T4P E 503 2.791 -17.103 40.861 1.00 0.00 O +HETATM17556 H1 T4P E 503 2.846 -17.433 39.964 1.00 0.00 H +HETATM17557 H2 T4P E 503 2.046 -17.567 41.242 1.00 0.00 H +HETATM17558 O T4P E 504 3.167 22.416 -43.156 1.00 0.00 O +HETATM17559 H1 T4P E 504 2.709 22.040 -42.404 1.00 0.00 H +HETATM17560 H2 T4P E 504 3.452 23.279 -42.855 1.00 0.00 H +HETATM17561 O T4P E 505 14.361 -27.837 40.033 1.00 0.00 O +HETATM17562 H1 T4P E 505 14.161 -27.617 39.123 1.00 0.00 H +HETATM17563 H2 T4P E 505 13.894 -27.178 40.547 1.00 0.00 H +HETATM17564 O T4P E 506 13.509 -17.853 -37.618 1.00 0.00 O +HETATM17565 H1 T4P E 506 14.297 -17.881 -38.160 1.00 0.00 H +HETATM17566 H2 T4P E 506 13.119 -18.722 -37.715 1.00 0.00 H +HETATM17567 O T4P E 507 8.794 -29.009 -44.117 1.00 0.00 O +HETATM17568 H1 T4P E 507 9.029 -29.135 -43.198 1.00 0.00 H +HETATM17569 H2 T4P E 507 9.597 -28.690 -44.529 1.00 0.00 H +HETATM17570 O T4P E 508 -0.967 29.454 23.212 1.00 0.00 O +HETATM17571 H1 T4P E 508 -0.584 28.698 22.767 1.00 0.00 H +HETATM17572 H2 T4P E 508 -1.779 29.628 22.734 1.00 0.00 H +HETATM17573 O T4P E 509 0.100 -2.540 33.827 1.00 0.00 O +HETATM17574 H1 T4P E 509 0.073 -1.714 34.310 1.00 0.00 H +HETATM17575 H2 T4P E 509 0.805 -2.422 33.190 1.00 0.00 H +HETATM17576 O T4P E 510 0.391 29.268 -36.995 1.00 0.00 O +HETATM17577 H1 T4P E 510 0.473 30.204 -36.812 1.00 0.00 H +HETATM17578 H2 T4P E 510 -0.455 29.182 -37.435 1.00 0.00 H +HETATM17579 O T4P E 511 -3.107 -23.709 35.566 1.00 0.00 O +HETATM17580 H1 T4P E 511 -3.310 -24.228 34.788 1.00 0.00 H +HETATM17581 H2 T4P E 511 -3.577 -24.148 36.275 1.00 0.00 H +HETATM17582 O T4P E 512 -12.129 -10.381 -44.689 1.00 0.00 O +HETATM17583 H1 T4P E 512 -11.199 -10.364 -44.918 1.00 0.00 H +HETATM17584 H2 T4P E 512 -12.139 -10.416 -43.732 1.00 0.00 H +HETATM17585 O T4P E 513 -15.616 -24.236 41.809 1.00 0.00 O +HETATM17586 H1 T4P E 513 -15.829 -23.909 40.935 1.00 0.00 H +HETATM17587 H2 T4P E 513 -14.683 -24.447 41.766 1.00 0.00 H +HETATM17588 O T4P E 514 -9.306 25.489 36.233 1.00 0.00 O +HETATM17589 H1 T4P E 514 -8.810 25.849 36.967 1.00 0.00 H +HETATM17590 H2 T4P E 514 -9.699 26.253 35.811 1.00 0.00 H +HETATM17591 O T4P E 515 -3.803 19.133 44.547 1.00 0.00 O +HETATM17592 H1 T4P E 515 -4.107 19.693 45.261 1.00 0.00 H +HETATM17593 H2 T4P E 515 -4.424 18.404 44.534 1.00 0.00 H +HETATM17594 O T4P E 516 23.430 -18.785 -37.935 1.00 0.00 O +HETATM17595 H1 T4P E 516 24.244 -19.166 -38.264 1.00 0.00 H +HETATM17596 H2 T4P E 516 22.814 -19.518 -37.914 1.00 0.00 H +HETATM17597 O T4P E 517 -10.029 -24.022 38.381 1.00 0.00 O +HETATM17598 H1 T4P E 517 -9.741 -23.295 38.934 1.00 0.00 H +HETATM17599 H2 T4P E 517 -10.985 -23.967 38.391 1.00 0.00 H +HETATM17600 O T4P E 518 -21.964 26.253 -29.356 1.00 0.00 O +HETATM17601 H1 T4P E 518 -22.246 25.422 -29.738 1.00 0.00 H +HETATM17602 H2 T4P E 518 -21.685 26.779 -30.105 1.00 0.00 H +HETATM17603 O T4P E 519 -2.190 -3.675 45.042 1.00 0.00 O +HETATM17604 H1 T4P E 519 -2.732 -2.943 44.747 1.00 0.00 H +HETATM17605 H2 T4P E 519 -2.799 -4.257 45.496 1.00 0.00 H +HETATM17606 O T4P E 520 -5.114 -16.188 -44.636 1.00 0.00 O +HETATM17607 H1 T4P E 520 -5.809 -16.451 -45.239 1.00 0.00 H +HETATM17608 H2 T4P E 520 -5.571 -15.973 -43.823 1.00 0.00 H +HETATM17609 O T4P E 521 7.144 -20.050 40.252 1.00 0.00 O +HETATM17610 H1 T4P E 521 7.374 -20.460 39.418 1.00 0.00 H +HETATM17611 H2 T4P E 521 7.921 -19.548 40.495 1.00 0.00 H +HETATM17612 O T4P E 522 10.423 -13.748 -43.841 1.00 0.00 O +HETATM17613 H1 T4P E 522 10.349 -14.413 -44.525 1.00 0.00 H +HETATM17614 H2 T4P E 522 10.461 -14.246 -43.024 1.00 0.00 H +HETATM17615 O T4P E 523 10.526 -9.377 26.275 1.00 0.00 O +HETATM17616 H1 T4P E 523 10.259 -8.705 25.648 1.00 0.00 H +HETATM17617 H2 T4P E 523 9.813 -10.016 26.260 1.00 0.00 H +HETATM17618 O T4P E 524 -24.691 20.710 -40.891 1.00 0.00 O +HETATM17619 H1 T4P E 524 -23.911 21.207 -41.140 1.00 0.00 H +HETATM17620 H2 T4P E 524 -24.463 19.798 -41.073 1.00 0.00 H +HETATM17621 O T4P E 525 3.911 -26.226 24.738 1.00 0.00 O +HETATM17622 H1 T4P E 525 4.024 -26.819 23.995 1.00 0.00 H +HETATM17623 H2 T4P E 525 3.010 -26.369 25.026 1.00 0.00 H +HETATM17624 O T4P E 526 -6.590 -24.964 29.349 1.00 0.00 O +HETATM17625 H1 T4P E 526 -7.189 -24.374 29.806 1.00 0.00 H +HETATM17626 H2 T4P E 526 -6.270 -24.453 28.605 1.00 0.00 H +HETATM17627 O T4P E 527 -8.867 -18.459 44.250 1.00 0.00 O 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-42.822 1.00 0.00 H +HETATM17645 O T4P E 533 6.741 -28.433 35.789 1.00 0.00 O +HETATM17646 H1 T4P E 533 7.682 -28.284 35.700 1.00 0.00 H +HETATM17647 H2 T4P E 533 6.515 -28.990 35.044 1.00 0.00 H +HETATM17648 O T4P E 534 13.723 -4.078 -41.286 1.00 0.00 O +HETATM17649 H1 T4P E 534 13.304 -4.158 -42.142 1.00 0.00 H +HETATM17650 H2 T4P E 534 13.786 -3.134 -41.137 1.00 0.00 H +HETATM17651 O T4P E 535 29.040 29.527 43.768 1.00 0.00 O +HETATM17652 H1 T4P E 535 28.285 29.361 43.204 1.00 0.00 H +HETATM17653 H2 T4P E 535 28.860 29.027 44.564 1.00 0.00 H +HETATM17654 O T4P E 536 -15.649 -16.074 28.216 1.00 0.00 O +HETATM17655 H1 T4P E 536 -15.269 -16.337 29.054 1.00 0.00 H +HETATM17656 H2 T4P E 536 -15.147 -15.301 27.957 1.00 0.00 H +HETATM17657 O T4P E 537 2.224 -24.509 -35.335 1.00 0.00 O +HETATM17658 H1 T4P E 537 2.862 -23.846 -35.597 1.00 0.00 H +HETATM17659 H2 T4P E 537 2.472 -25.290 -35.830 1.00 0.00 H +HETATM17660 O T4P E 538 27.381 -27.678 -42.563 1.00 0.00 O +HETATM17661 H1 T4P E 538 26.809 -28.042 -43.239 1.00 0.00 H +HETATM17662 H2 T4P E 538 27.221 -26.735 -42.596 1.00 0.00 H +HETATM17663 O T4P E 539 -1.188 -23.901 28.295 1.00 0.00 O +HETATM17664 H1 T4P E 539 -1.063 -22.990 28.028 1.00 0.00 H +HETATM17665 H2 T4P E 539 -0.332 -24.309 28.163 1.00 0.00 H +HETATM17666 O T4P E 540 4.581 -29.838 40.878 1.00 0.00 O +HETATM17667 H1 T4P E 540 4.979 -29.109 41.353 1.00 0.00 H +HETATM17668 H2 T4P E 540 4.077 -29.423 40.179 1.00 0.00 H +HETATM17669 O T4P E 541 2.206 -17.761 -42.843 1.00 0.00 O +HETATM17670 H1 T4P E 541 2.355 -17.342 -43.691 1.00 0.00 H +HETATM17671 H2 T4P E 541 2.394 -17.075 -42.201 1.00 0.00 H +HETATM17672 O T4P E 542 10.411 27.871 44.454 1.00 0.00 O +HETATM17673 H1 T4P E 542 10.853 27.159 44.915 1.00 0.00 H +HETATM17674 H2 T4P E 542 11.113 28.331 43.992 1.00 0.00 H +HETATM17675 O T4P E 543 -4.119 24.266 -33.974 1.00 0.00 O +HETATM17676 H1 T4P E 543 -3.750 24.087 -33.110 1.00 0.00 H +HETATM17677 H2 T4P E 543 -5.056 24.094 -33.876 1.00 0.00 H +HETATM17678 O T4P E 544 2.078 -13.780 45.882 1.00 0.00 O +HETATM17679 H1 T4P E 544 1.861 -14.566 46.382 1.00 0.00 H +HETATM17680 H2 T4P E 544 1.280 -13.578 45.393 1.00 0.00 H +HETATM17681 O T4P E 545 -19.220 -22.968 39.628 1.00 0.00 O +HETATM17682 H1 T4P E 545 -19.852 -23.664 39.809 1.00 0.00 H +HETATM17683 H2 T4P E 545 -18.949 -22.659 40.492 1.00 0.00 H +HETATM17684 O T4P E 546 9.261 -29.505 29.202 1.00 0.00 O +HETATM17685 H1 T4P E 546 8.901 -28.638 29.015 1.00 0.00 H +HETATM17686 H2 T4P E 546 8.748 -30.102 28.658 1.00 0.00 H +HETATM17687 O T4P E 547 23.769 -15.106 33.712 1.00 0.00 O +HETATM17688 H1 T4P E 547 23.126 -15.807 33.603 1.00 0.00 H +HETATM17689 H2 T4P E 547 23.252 -14.346 33.979 1.00 0.00 H +HETATM17690 O T4P E 548 4.012 9.345 44.333 1.00 0.00 O +HETATM17691 H1 T4P E 548 3.864 8.414 44.499 1.00 0.00 H +HETATM17692 H2 T4P E 548 4.957 9.417 44.197 1.00 0.00 H +HETATM17693 O T4P E 549 -4.989 -21.705 -30.801 1.00 0.00 O +HETATM17694 H1 T4P E 549 -4.634 -21.514 -31.669 1.00 0.00 H 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1.00 0.00 O +HETATM17712 H1 T4P E 555 1.889 -4.890 44.036 1.00 0.00 H +HETATM17713 H2 T4P E 555 2.982 -5.686 43.355 1.00 0.00 H +HETATM17714 O T4P E 556 19.992 -3.007 24.650 1.00 0.00 O +HETATM17715 H1 T4P E 556 19.786 -3.918 24.441 1.00 0.00 H +HETATM17716 H2 T4P E 556 20.342 -2.647 23.836 1.00 0.00 H +HETATM17717 O T4P E 557 2.755 -28.272 34.472 1.00 0.00 O +HETATM17718 H1 T4P E 557 3.141 -27.401 34.567 1.00 0.00 H +HETATM17719 H2 T4P E 557 2.104 -28.172 33.778 1.00 0.00 H +HETATM17720 O T4P E 558 3.476 -19.093 38.541 1.00 0.00 O +HETATM17721 H1 T4P E 558 3.818 -19.780 39.112 1.00 0.00 H +HETATM17722 H2 T4P E 558 4.248 -18.739 38.100 1.00 0.00 H +HETATM17723 O T4P E 559 -9.432 -28.368 -42.831 1.00 0.00 O +HETATM17724 H1 T4P E 559 -10.074 -28.423 -42.124 1.00 0.00 H +HETATM17725 H2 T4P E 559 -9.838 -28.835 -43.562 1.00 0.00 H +HETATM17726 O T4P E 560 -5.784 29.619 19.530 1.00 0.00 O +HETATM17727 H1 T4P E 560 -5.076 28.979 19.596 1.00 0.00 H +HETATM17728 H2 T4P E 560 -6.306 29.482 20.321 1.00 0.00 H +HETATM17729 O T4P E 561 -10.207 -24.988 20.376 1.00 0.00 O +HETATM17730 H1 T4P E 561 -9.275 -24.902 20.576 1.00 0.00 H +HETATM17731 H2 T4P E 561 -10.375 -25.929 20.416 1.00 0.00 H +HETATM17732 O T4P E 562 17.739 26.891 43.442 1.00 0.00 O +HETATM17733 H1 T4P E 562 16.994 27.492 43.464 1.00 0.00 H +HETATM17734 H2 T4P E 562 18.216 27.129 42.646 1.00 0.00 H +HETATM17735 O T4P E 563 3.906 -17.601 -36.209 1.00 0.00 O +HETATM17736 H1 T4P E 563 4.343 -17.680 -37.057 1.00 0.00 H +HETATM17737 H2 T4P E 563 3.902 -18.492 -35.857 1.00 0.00 H +HETATM17738 O T4P E 564 15.925 11.201 43.910 1.00 0.00 O +HETATM17739 H1 T4P E 564 15.623 10.438 43.415 1.00 0.00 H +HETATM17740 H2 T4P E 564 16.620 11.577 43.370 1.00 0.00 H +HETATM17741 O T4P E 565 -18.611 19.961 31.503 1.00 0.00 O +HETATM17742 H1 T4P E 565 -18.049 19.817 32.264 1.00 0.00 H +HETATM17743 H2 T4P E 565 -18.077 19.693 30.756 1.00 0.00 H +HETATM17744 O T4P E 566 -11.295 -16.266 45.036 1.00 0.00 O +HETATM17745 H1 T4P E 566 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O T4P E 572 0.855 -10.983 40.096 1.00 0.00 O +HETATM17763 H1 T4P E 572 0.847 -11.823 39.638 1.00 0.00 H +HETATM17764 H2 T4P E 572 -0.044 -10.868 40.403 1.00 0.00 H +HETATM17765 O T4P E 573 11.466 28.383 38.826 1.00 0.00 O +HETATM17766 H1 T4P E 573 11.141 29.266 39.000 1.00 0.00 H +HETATM17767 H2 T4P E 573 12.096 28.494 38.114 1.00 0.00 H +HETATM17768 O T4P E 574 5.802 -21.423 30.074 1.00 0.00 O +HETATM17769 H1 T4P E 574 5.372 -20.808 30.669 1.00 0.00 H +HETATM17770 H2 T4P E 574 6.648 -21.019 29.881 1.00 0.00 H +HETATM17771 O T4P E 575 -6.616 -10.405 26.982 1.00 0.00 O +HETATM17772 H1 T4P E 575 -7.074 -9.729 27.481 1.00 0.00 H +HETATM17773 H2 T4P E 575 -6.424 -11.089 27.624 1.00 0.00 H +HETATM17774 O T4P E 576 2.193 -24.462 -41.916 1.00 0.00 O +HETATM17775 H1 T4P E 576 2.386 -23.802 -42.582 1.00 0.00 H +HETATM17776 H2 T4P E 576 2.140 -23.968 -41.098 1.00 0.00 H +HETATM17777 O T4P E 577 2.318 -1.240 36.758 1.00 0.00 O +HETATM17778 H1 T4P E 577 1.390 -1.331 36.974 1.00 0.00 H +HETATM17779 H2 T4P E 577 2.719 -2.049 37.077 1.00 0.00 H +HETATM17780 O T4P E 578 4.966 -6.649 42.554 1.00 0.00 O +HETATM17781 H1 T4P E 578 5.747 -7.190 42.669 1.00 0.00 H +HETATM17782 H2 T4P E 578 5.301 -5.808 42.241 1.00 0.00 H +HETATM17783 O T4P E 579 -3.770 7.550 -41.984 1.00 0.00 O +HETATM17784 H1 T4P E 579 -4.056 6.688 -42.289 1.00 0.00 H +HETATM17785 H2 T4P E 579 -4.420 8.157 -42.337 1.00 0.00 H +HETATM17786 O T4P E 580 -0.287 -22.057 -42.277 1.00 0.00 O +HETATM17787 H1 T4P E 580 0.386 -21.379 -42.217 1.00 0.00 H +HETATM17788 H2 T4P E 580 -0.052 -22.558 -43.058 1.00 0.00 H +HETATM17789 O T4P E 581 -7.393 28.444 44.307 1.00 0.00 O +HETATM17790 H1 T4P E 581 -7.751 29.212 43.860 1.00 0.00 H +HETATM17791 H2 T4P E 581 -7.766 27.698 43.837 1.00 0.00 H +HETATM17792 O T4P E 582 9.170 -24.720 -44.558 1.00 0.00 O +HETATM17793 H1 T4P E 582 8.533 -24.708 -43.843 1.00 0.00 H +HETATM17794 H2 T4P E 582 9.869 -24.134 -44.268 1.00 0.00 H +HETATM17795 O T4P E 583 31.612 18.330 -32.935 1.00 0.00 O 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1.00 0.00 H +HETATM17813 O T4P E 589 10.726 -21.316 -46.489 1.00 0.00 O +HETATM17814 H1 T4P E 589 10.952 -20.923 -45.646 1.00 0.00 H +HETATM17815 H2 T4P E 589 9.789 -21.501 -46.424 1.00 0.00 H +HETATM17816 O T4P E 590 6.407 -8.845 38.438 1.00 0.00 O +HETATM17817 H1 T4P E 590 5.864 -8.854 37.649 1.00 0.00 H +HETATM17818 H2 T4P E 590 5.785 -8.720 39.155 1.00 0.00 H +HETATM17819 O T4P E 591 -9.878 -13.463 36.195 1.00 0.00 O +HETATM17820 H1 T4P E 591 -9.550 -12.571 36.304 1.00 0.00 H +HETATM17821 H2 T4P E 591 -10.800 -13.412 36.445 1.00 0.00 H +HETATM17822 O T4P E 592 -24.778 -14.477 26.894 1.00 0.00 O +HETATM17823 H1 T4P E 592 -25.248 -15.228 27.255 1.00 0.00 H +HETATM17824 H2 T4P E 592 -24.809 -13.818 27.589 1.00 0.00 H +HETATM17825 O T4P E 593 -18.154 -27.916 38.951 1.00 0.00 O +HETATM17826 H1 T4P E 593 -17.331 -27.474 38.740 1.00 0.00 H +HETATM17827 H2 T4P E 593 -17.987 -28.347 39.789 1.00 0.00 H +HETATM17828 O T4P E 594 20.954 -1.611 -38.717 1.00 0.00 O +HETATM17829 H1 T4P E 594 20.383 -1.006 -39.191 1.00 0.00 H +HETATM17830 H2 T4P E 594 21.250 -1.114 -37.954 1.00 0.00 H +HETATM17831 O T4P E 595 9.506 -29.097 -35.700 1.00 0.00 O +HETATM17832 H1 T4P E 595 10.323 -28.890 -36.153 1.00 0.00 H +HETATM17833 H2 T4P E 595 8.819 -28.864 -36.324 1.00 0.00 H +HETATM17834 O T4P E 596 -25.832 27.910 41.615 1.00 0.00 O +HETATM17835 H1 T4P E 596 -26.327 27.173 41.972 1.00 0.00 H +HETATM17836 H2 T4P E 596 -25.015 27.914 42.114 1.00 0.00 H +HETATM17837 O T4P E 597 0.097 24.064 44.335 1.00 0.00 O +HETATM17838 H1 T4P E 597 0.461 24.862 44.720 1.00 0.00 H +HETATM17839 H2 T4P E 597 0.107 23.427 45.049 1.00 0.00 H +HETATM17840 O T4P E 598 27.571 -19.941 41.150 1.00 0.00 O +HETATM17841 H1 T4P E 598 27.020 -20.191 41.892 1.00 0.00 H +HETATM17842 H2 T4P E 598 27.872 -20.772 40.783 1.00 0.00 H +HETATM17843 O T4P E 599 -9.276 -27.902 -34.424 1.00 0.00 O +HETATM17844 H1 T4P E 599 -8.529 -28.464 -34.627 1.00 0.00 H +HETATM17845 H2 T4P E 599 -9.572 -27.579 -35.275 1.00 0.00 H +HETATM17846 O T4P E 600 -14.636 17.570 -43.646 1.00 0.00 O +HETATM17847 H1 T4P E 600 -14.262 18.192 -43.023 1.00 0.00 H +HETATM17848 H2 T4P E 600 -14.863 18.102 -44.409 1.00 0.00 H +HETATM17849 O T4P E 601 -3.807 -18.608 -43.528 1.00 0.00 O +HETATM17850 H1 T4P E 601 -4.432 -18.039 -43.977 1.00 0.00 H +HETATM17851 H2 T4P E 601 -4.349 -19.278 -43.112 1.00 0.00 H +HETATM17852 O T4P E 602 -23.790 -23.038 32.820 1.00 0.00 O +HETATM17853 H1 T4P E 602 -24.148 -23.139 33.701 1.00 0.00 H +HETATM17854 H2 T4P E 602 -23.727 -22.091 32.694 1.00 0.00 H +HETATM17855 O T4P E 603 9.373 -18.461 -22.433 1.00 0.00 O +HETATM17856 H1 T4P E 603 9.519 -18.127 -21.548 1.00 0.00 H +HETATM17857 H2 T4P E 603 8.615 -17.972 -22.752 1.00 0.00 H +HETATM17858 O T4P E 604 18.550 -8.490 42.677 1.00 0.00 O +HETATM17859 H1 T4P E 604 19.428 -8.830 42.507 1.00 0.00 H +HETATM17860 H2 T4P E 604 18.060 -9.243 43.007 1.00 0.00 H +HETATM17861 O T4P E 605 -0.029 -2.314 43.767 1.00 0.00 O +HETATM17862 H1 T4P E 605 -0.130 -1.391 43.535 1.00 0.00 H +HETATM17863 H2 T4P E 605 -0.836 -2.534 44.232 1.00 0.00 H +HETATM17864 O T4P E 606 -30.841 -17.302 -45.786 1.00 0.00 O +HETATM17865 H1 T4P E 606 -31.035 -16.490 -45.317 1.00 0.00 H +HETATM17866 H2 T4P E 606 -29.903 -17.255 -45.970 1.00 0.00 H +HETATM17867 O T4P E 607 -9.603 -22.307 40.446 1.00 0.00 O +HETATM17868 H1 T4P E 607 -8.886 -21.932 39.934 1.00 0.00 H +HETATM17869 H2 T4P E 607 -9.789 -21.649 41.116 1.00 0.00 H +HETATM17870 O T4P E 608 -2.215 -25.284 -33.648 1.00 0.00 O +HETATM17871 H1 T4P E 608 -2.597 -25.133 -34.512 1.00 0.00 H +HETATM17872 H2 T4P E 608 -2.967 -25.331 -33.057 1.00 0.00 H +HETATM17873 O T4P E 609 6.969 16.020 23.143 1.00 0.00 O +HETATM17874 H1 T4P E 609 6.362 15.519 22.598 1.00 0.00 H +HETATM17875 H2 T4P E 609 6.793 16.934 22.921 1.00 0.00 H +HETATM17876 O T4P E 610 2.706 -14.155 36.599 1.00 0.00 O +HETATM17877 H1 T4P E 610 2.819 -14.377 35.675 1.00 0.00 H +HETATM17878 H2 T4P E 610 2.369 -14.957 36.999 1.00 0.00 H +HETATM17879 O T4P E 611 -6.987 -19.565 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739 23.558 3.391 43.198 1.00 0.00 H +HETATM18266 O T4P E 740 14.385 -12.345 -35.192 1.00 0.00 O +HETATM18267 H1 T4P E 740 14.518 -13.198 -35.606 1.00 0.00 H +HETATM18268 H2 T4P E 740 13.482 -12.370 -34.876 1.00 0.00 H +HETATM18269 O T4P E 741 11.625 11.793 31.893 1.00 0.00 O +HETATM18270 H1 T4P E 741 11.479 12.402 32.618 1.00 0.00 H +HETATM18271 H2 T4P E 741 12.177 12.279 31.280 1.00 0.00 H +HETATM18272 O T4P E 742 -24.216 -0.108 -24.401 1.00 0.00 O +HETATM18273 H1 T4P E 742 -23.918 -1.010 -24.523 1.00 0.00 H +HETATM18274 H2 T4P E 742 -24.901 -0.170 -23.735 1.00 0.00 H +HETATM18275 O T4P E 743 5.622 -3.363 31.442 1.00 0.00 O +HETATM18276 H1 T4P E 743 6.287 -3.567 30.784 1.00 0.00 H +HETATM18277 H2 T4P E 743 6.042 -3.567 32.278 1.00 0.00 H +HETATM18278 O T4P E 744 34.435 -25.076 38.080 1.00 0.00 O +HETATM18279 H1 T4P E 744 34.518 -24.319 38.660 1.00 0.00 H +HETATM18280 H2 T4P E 744 34.155 -25.789 38.654 1.00 0.00 H +HETATM18281 O T4P E 745 -22.750 -11.624 44.851 1.00 0.00 O +HETATM18282 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T4P E 751 -5.595 3.727 45.189 1.00 0.00 O +HETATM18300 H1 T4P E 751 -6.203 4.444 45.009 1.00 0.00 H +HETATM18301 H2 T4P E 751 -5.434 3.781 46.132 1.00 0.00 H +HETATM18302 O T4P E 752 21.115 -14.445 27.492 1.00 0.00 O +HETATM18303 H1 T4P E 752 20.849 -15.135 28.100 1.00 0.00 H +HETATM18304 H2 T4P E 752 21.758 -14.864 26.920 1.00 0.00 H +HETATM18305 O T4P E 753 28.789 3.548 30.670 1.00 0.00 O +HETATM18306 H1 T4P E 753 29.542 3.889 30.187 1.00 0.00 H +HETATM18307 H2 T4P E 753 28.622 2.690 30.279 1.00 0.00 H +HETATM18308 O T4P E 754 20.598 -4.041 21.366 1.00 0.00 O +HETATM18309 H1 T4P E 754 21.325 -4.270 20.787 1.00 0.00 H +HETATM18310 H2 T4P E 754 19.853 -3.915 20.778 1.00 0.00 H +HETATM18311 O T4P E 755 31.050 -0.083 -44.007 1.00 0.00 O +HETATM18312 H1 T4P E 755 31.961 -0.009 -44.291 1.00 0.00 H +HETATM18313 H2 T4P E 755 30.603 0.643 -44.442 1.00 0.00 H +HETATM18314 O T4P E 756 11.434 16.709 -36.691 1.00 0.00 O +HETATM18315 H1 T4P E 756 10.698 16.282 -37.129 1.00 0.00 H +HETATM18316 H2 T4P E 756 11.661 16.119 -35.973 1.00 0.00 H +HETATM18317 O T4P E 757 18.397 -10.204 18.644 1.00 0.00 O +HETATM18318 H1 T4P E 757 17.520 -10.552 18.805 1.00 0.00 H +HETATM18319 H2 T4P E 757 18.257 -9.275 18.464 1.00 0.00 H +HETATM18320 O T4P E 758 19.765 -9.259 26.181 1.00 0.00 O +HETATM18321 H1 T4P E 758 19.718 -8.967 27.091 1.00 0.00 H +HETATM18322 H2 T4P E 758 20.294 -8.592 25.742 1.00 0.00 H +HETATM18323 O T4P E 759 21.024 -8.504 32.367 1.00 0.00 O +HETATM18324 H1 T4P E 759 21.739 -8.048 31.923 1.00 0.00 H +HETATM18325 H2 T4P E 759 20.995 -9.366 31.953 1.00 0.00 H +HETATM18326 O T4P E 760 22.699 0.760 42.056 1.00 0.00 O +HETATM18327 H1 T4P E 760 22.736 -0.131 42.403 1.00 0.00 H +HETATM18328 H2 T4P E 760 22.804 0.655 41.111 1.00 0.00 H +HETATM18329 O T4P E 761 16.147 -7.213 29.541 1.00 0.00 O +HETATM18330 H1 T4P E 761 15.247 -7.538 29.556 1.00 0.00 H +HETATM18331 H2 T4P E 761 16.275 -6.901 28.645 1.00 0.00 H +HETATM18332 O T4P E 762 24.488 14.473 -36.584 1.00 0.00 O +HETATM18333 H1 T4P E 762 23.669 14.925 -36.382 1.00 0.00 H +HETATM18334 H2 T4P E 762 25.172 15.104 -36.359 1.00 0.00 H +HETATM18335 O T4P E 763 12.200 -22.744 44.635 1.00 0.00 O +HETATM18336 H1 T4P E 763 11.775 -22.152 45.256 1.00 0.00 H +HETATM18337 H2 T4P E 763 11.872 -23.613 44.869 1.00 0.00 H +HETATM18338 O T4P E 764 13.386 5.772 36.356 1.00 0.00 O +HETATM18339 H1 T4P E 764 13.262 5.208 35.593 1.00 0.00 H +HETATM18340 H2 T4P E 764 13.740 6.586 35.998 1.00 0.00 H +HETATM18341 O T4P E 765 28.429 -18.643 36.213 1.00 0.00 O +HETATM18342 H1 T4P E 765 29.269 -18.197 36.111 1.00 0.00 H +HETATM18343 H2 T4P E 765 27.896 -18.037 36.726 1.00 0.00 H +HETATM18344 O T4P E 766 8.215 -9.951 40.144 1.00 0.00 O +HETATM18345 H1 T4P E 766 8.311 -10.885 40.328 1.00 0.00 H +HETATM18346 H2 T4P E 766 7.666 -9.916 39.360 1.00 0.00 H +HETATM18347 O T4P E 767 12.741 -7.955 46.032 1.00 0.00 O +HETATM18348 H1 T4P E 767 12.591 -8.858 45.751 1.00 0.00 H +HETATM18349 H2 T4P E 767 13.679 -7.913 46.217 1.00 0.00 H +HETATM18350 O T4P E 768 5.387 -1.223 27.680 1.00 0.00 O +HETATM18351 H1 T4P E 768 5.472 -0.330 28.012 1.00 0.00 H +HETATM18352 H2 T4P E 768 6.036 -1.725 28.172 1.00 0.00 H +HETATM18353 O T4P E 769 18.127 -22.372 43.918 1.00 0.00 O +HETATM18354 H1 T4P E 769 19.079 -22.428 43.995 1.00 0.00 H +HETATM18355 H2 T4P E 769 17.972 -22.198 42.989 1.00 0.00 H +HETATM18356 O T4P E 770 26.645 1.493 26.294 1.00 0.00 O +HETATM18357 H1 T4P E 770 27.102 2.300 26.060 1.00 0.00 H +HETATM18358 H2 T4P E 770 26.103 1.733 27.045 1.00 0.00 H +HETATM18359 O T4P E 771 34.946 20.503 -34.912 1.00 0.00 O +HETATM18360 H1 T4P E 771 34.092 20.105 -35.083 1.00 0.00 H +HETATM18361 H2 T4P E 771 35.119 20.314 -33.990 1.00 0.00 H +HETATM18362 O T4P E 772 10.176 4.908 -41.915 1.00 0.00 O +HETATM18363 H1 T4P E 772 10.537 5.584 -42.489 1.00 0.00 H +HETATM18364 H2 T4P E 772 9.294 4.752 -42.252 1.00 0.00 H +HETATM18365 O T4P E 773 11.566 13.144 42.131 1.00 0.00 O +HETATM18366 H1 T4P E 773 12.254 13.210 41.468 1.00 0.00 H +HETATM18367 H2 T4P E 773 11.294 14.048 42.285 1.00 0.00 H +HETATM18368 O T4P E 774 33.217 -1.698 -40.735 1.00 0.00 O +HETATM18369 H1 T4P E 774 33.283 -1.856 -39.794 1.00 0.00 H +HETATM18370 H2 T4P E 774 32.427 -1.167 -40.835 1.00 0.00 H +HETATM18371 O T4P E 775 12.726 10.120 42.121 1.00 0.00 O +HETATM18372 H1 T4P E 775 12.055 10.414 42.738 1.00 0.00 H +HETATM18373 H2 T4P E 775 13.072 10.927 41.740 1.00 0.00 H +HETATM18374 O T4P E 776 5.702 -12.956 22.014 1.00 0.00 O +HETATM18375 H1 T4P E 776 5.393 -13.821 22.282 1.00 0.00 H +HETATM18376 H2 T4P E 776 5.179 -12.343 22.531 1.00 0.00 H +HETATM18377 O T4P E 777 19.860 10.631 35.707 1.00 0.00 O +HETATM18378 H1 T4P E 777 19.888 10.088 36.495 1.00 0.00 H +HETATM18379 H2 T4P E 777 19.135 10.273 35.195 1.00 0.00 H +HETATM18380 O T4P E 778 18.432 -0.236 30.558 1.00 0.00 O +HETATM18381 H1 T4P E 778 18.345 0.710 30.443 1.00 0.00 H +HETATM18382 H2 T4P E 778 18.289 -0.598 29.683 1.00 0.00 H +HETATM18383 O T4P E 779 25.100 -9.224 35.067 1.00 0.00 O +HETATM18384 H1 T4P E 779 25.228 -8.495 35.675 1.00 0.00 H +HETATM18385 H2 T4P E 779 25.765 -9.865 35.319 1.00 0.00 H +HETATM18386 O T4P E 780 33.218 18.812 34.489 1.00 0.00 O +HETATM18387 H1 T4P E 780 32.450 19.174 34.929 1.00 0.00 H +HETATM18388 H2 T4P E 780 33.087 17.864 34.518 1.00 0.00 H +HETATM18389 O T4P E 781 22.286 -13.735 -31.404 1.00 0.00 O +HETATM18390 H1 T4P E 781 22.347 -13.999 -30.485 1.00 0.00 H +HETATM18391 H2 T4P E 781 22.326 -12.779 -31.382 1.00 0.00 H +HETATM18392 O T4P E 782 26.492 -10.690 44.080 1.00 0.00 O +HETATM18393 H1 T4P E 782 26.672 -10.453 43.171 1.00 0.00 H +HETATM18394 H2 T4P E 782 27.292 -10.459 44.551 1.00 0.00 H +HETATM18395 O T4P E 783 26.139 -18.683 33.701 1.00 0.00 O +HETATM18396 H1 T4P E 783 25.882 -19.153 34.495 1.00 0.00 H +HETATM18397 H2 T4P E 783 26.846 -18.103 33.985 1.00 0.00 H +HETATM18398 O T4P E 784 25.353 -6.167 27.932 1.00 0.00 O +HETATM18399 H1 T4P E 784 25.394 -6.840 28.611 1.00 0.00 H +HETATM18400 H2 T4P E 784 25.334 -5.341 28.414 1.00 0.00 H +HETATM18401 O T4P E 785 2.710 14.224 41.311 1.00 0.00 O +HETATM18402 H1 T4P E 785 3.353 13.596 40.980 1.00 0.00 H +HETATM18403 H2 T4P E 785 3.188 15.052 41.363 1.00 0.00 H +HETATM18404 O T4P E 786 27.292 -5.931 -34.052 1.00 0.00 O +HETATM18405 H1 T4P E 786 26.369 -5.938 -33.799 1.00 0.00 H +HETATM18406 H2 T4P E 786 27.598 -6.820 -33.869 1.00 0.00 H +HETATM18407 O T4P E 787 16.803 1.147 35.523 1.00 0.00 O +HETATM18408 H1 T4P E 787 16.929 1.061 34.578 1.00 0.00 H +HETATM18409 H2 T4P E 787 17.259 1.956 35.754 1.00 0.00 H +HETATM18410 O T4P E 788 11.360 -19.854 -44.094 1.00 0.00 O +HETATM18411 H1 T4P E 788 11.252 -19.804 -43.144 1.00 0.00 H +HETATM18412 H2 T4P E 788 11.884 -19.084 -44.317 1.00 0.00 H +HETATM18413 O T4P E 789 1.428 14.285 29.960 1.00 0.00 O +HETATM18414 H1 T4P E 789 1.680 14.857 30.685 1.00 0.00 H +HETATM18415 H2 T4P E 789 0.521 14.524 29.770 1.00 0.00 H +HETATM18416 O T4P E 790 22.913 -1.422 43.661 1.00 0.00 O +HETATM18417 H1 T4P E 790 21.968 -1.405 43.505 1.00 0.00 H +HETATM18418 H2 T4P E 790 23.015 -1.080 44.549 1.00 0.00 H +HETATM18419 O T4P E 791 0.738 0.482 33.973 1.00 0.00 O +HETATM18420 H1 T4P E 791 0.086 0.656 34.652 1.00 0.00 H +HETATM18421 H2 T4P E 791 0.853 1.323 33.530 1.00 0.00 H +HETATM18422 O T4P E 792 19.088 -17.411 43.853 1.00 0.00 O +HETATM18423 H1 T4P E 792 19.005 -18.051 43.146 1.00 0.00 H +HETATM18424 H2 T4P E 792 18.246 -17.445 44.307 1.00 0.00 H +HETATM18425 O T4P E 793 0.329 8.849 -36.083 1.00 0.00 O +HETATM18426 H1 T4P E 793 0.523 8.168 -36.727 1.00 0.00 H +HETATM18427 H2 T4P E 793 -0.597 8.728 -35.876 1.00 0.00 H +HETATM18428 O T4P E 794 -15.985 -4.831 -32.008 1.00 0.00 O +HETATM18429 H1 T4P E 794 -16.808 -4.342 -31.983 1.00 0.00 H +HETATM18430 H2 T4P E 794 -15.318 -4.168 -32.190 1.00 0.00 H +HETATM18431 O T4P E 795 27.493 7.983 37.166 1.00 0.00 O +HETATM18432 H1 T4P E 795 27.694 8.853 36.823 1.00 0.00 H +HETATM18433 H2 T4P E 795 26.551 7.881 37.026 1.00 0.00 H +HETATM18434 O T4P E 796 27.304 -3.154 36.338 1.00 0.00 O +HETATM18435 H1 T4P E 796 27.184 -3.379 35.416 1.00 0.00 H +HETATM18436 H2 T4P E 796 28.011 -3.726 36.635 1.00 0.00 H +HETATM18437 O T4P E 797 28.126 9.053 -32.008 1.00 0.00 O +HETATM18438 H1 T4P E 797 28.907 9.585 -31.856 1.00 0.00 H +HETATM18439 H2 T4P E 797 28.007 9.067 -32.958 1.00 0.00 H +HETATM18440 O T4P E 798 24.787 5.993 29.573 1.00 0.00 O +HETATM18441 H1 T4P E 798 24.163 6.187 30.273 1.00 0.00 H +HETATM18442 H2 T4P E 798 24.639 6.679 28.923 1.00 0.00 H +HETATM18443 O T4P E 799 21.566 -23.700 -33.014 1.00 0.00 O +HETATM18444 H1 T4P E 799 21.473 -24.338 -32.307 1.00 0.00 H +HETATM18445 H2 T4P E 799 22.092 -24.149 -33.675 1.00 0.00 H +HETATM18446 O T4P E 800 26.284 -20.212 29.825 1.00 0.00 O +HETATM18447 H1 T4P E 800 26.893 -19.836 29.190 1.00 0.00 H +HETATM18448 H2 T4P E 800 26.711 -20.084 30.672 1.00 0.00 H +HETATM18449 O T4P E 801 0.710 -27.164 -36.890 1.00 0.00 O +HETATM18450 H1 T4P E 801 0.197 -27.187 -36.082 1.00 0.00 H +HETATM18451 H2 T4P E 801 0.057 -27.102 -37.587 1.00 0.00 H +HETATM18452 O T4P E 802 33.878 7.661 28.464 1.00 0.00 O +HETATM18453 H1 T4P E 802 33.881 7.239 27.605 1.00 0.00 H +HETATM18454 H2 T4P E 802 33.995 6.943 29.086 1.00 0.00 H +HETATM18455 O T4P E 803 -2.715 8.647 44.829 1.00 0.00 O +HETATM18456 H1 T4P E 803 -3.066 8.218 44.049 1.00 0.00 H +HETATM18457 H2 T4P E 803 -1.780 8.745 44.649 1.00 0.00 H +HETATM18458 O T4P E 804 9.986 -17.694 -35.078 1.00 0.00 O +HETATM18459 H1 T4P E 804 10.368 -18.488 -35.452 1.00 0.00 H +HETATM18460 H2 T4P E 804 10.730 -17.105 -34.955 1.00 0.00 H +HETATM18461 O T4P E 805 18.596 -20.065 24.898 1.00 0.00 O +HETATM18462 H1 T4P E 805 18.362 -20.786 25.481 1.00 0.00 H +HETATM18463 H2 T4P E 805 17.819 -19.934 24.354 1.00 0.00 H +HETATM18464 O T4P E 806 21.555 -20.875 40.342 1.00 0.00 O +HETATM18465 H1 T4P E 806 22.189 -21.191 39.698 1.00 0.00 H +HETATM18466 H2 T4P E 806 22.076 -20.358 40.957 1.00 0.00 H +HETATM18467 O T4P E 807 19.842 -19.714 29.279 1.00 0.00 O +HETATM18468 H1 T4P E 807 20.353 -19.197 28.655 1.00 0.00 H 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914 -1.870 -9.841 -34.401 1.00 0.00 H +HETATM18790 H2 T4P E 914 -2.132 -11.331 -34.345 1.00 0.00 H +HETATM18791 O T4P E 915 24.132 28.922 33.676 1.00 0.00 O +HETATM18792 H1 T4P E 915 24.623 28.100 33.678 1.00 0.00 H +HETATM18793 H2 T4P E 915 24.660 29.516 33.142 1.00 0.00 H +HETATM18794 O T4P E 916 9.601 -5.354 -40.859 1.00 0.00 O +HETATM18795 H1 T4P E 916 9.596 -4.447 -40.554 1.00 0.00 H +HETATM18796 H2 T4P E 916 9.865 -5.297 -41.777 1.00 0.00 H +HETATM18797 O T4P E 917 -2.010 7.684 -27.344 1.00 0.00 O +HETATM18798 H1 T4P E 917 -1.525 6.929 -27.677 1.00 0.00 H +HETATM18799 H2 T4P E 917 -2.337 7.401 -26.490 1.00 0.00 H +HETATM18800 O T4P E 918 -24.652 0.745 -38.136 1.00 0.00 O +HETATM18801 H1 T4P E 918 -24.266 1.007 -37.300 1.00 0.00 H +HETATM18802 H2 T4P E 918 -25.453 0.280 -37.894 1.00 0.00 H +HETATM18803 O T4P E 919 25.912 14.061 -14.786 1.00 0.00 O +HETATM18804 H1 T4P E 919 26.488 13.417 -14.373 1.00 0.00 H +HETATM18805 H2 T4P E 919 26.470 14.826 -14.928 1.00 0.00 H +HETATM18806 O T4P E 920 30.626 6.217 -37.529 1.00 0.00 O +HETATM18807 H1 T4P E 920 31.340 5.864 -38.060 1.00 0.00 H +HETATM18808 H2 T4P E 920 30.537 5.597 -36.804 1.00 0.00 H +HETATM18809 O T4P E 921 31.456 10.808 -21.324 1.00 0.00 O +HETATM18810 H1 T4P E 921 31.502 11.741 -21.534 1.00 0.00 H +HETATM18811 H2 T4P E 921 31.676 10.367 -22.145 1.00 0.00 H +HETATM18812 O T4P E 922 28.516 0.602 -29.997 1.00 0.00 O +HETATM18813 H1 T4P E 922 28.202 1.490 -29.826 1.00 0.00 H +HETATM18814 H2 T4P E 922 29.010 0.675 -30.814 1.00 0.00 H +HETATM18815 O T4P E 923 1.761 -9.947 -36.653 1.00 0.00 O +HETATM18816 H1 T4P E 923 1.688 -9.388 -37.426 1.00 0.00 H +HETATM18817 H2 T4P E 923 2.071 -9.361 -35.962 1.00 0.00 H +HETATM18818 O T4P E 924 29.245 -4.506 27.996 1.00 0.00 O +HETATM18819 H1 T4P E 924 28.668 -3.989 27.434 1.00 0.00 H +HETATM18820 H2 T4P E 924 28.950 -4.312 28.886 1.00 0.00 H +HETATM18821 O T4P E 925 13.904 -10.292 -37.698 1.00 0.00 O +HETATM18822 H1 T4P E 925 14.238 -9.396 -37.673 1.00 0.00 H +HETATM18823 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1.00 0.00 H +HETATM18874 H2 T4P E 942 7.948 -2.124 37.701 1.00 0.00 H +HETATM18875 O T4P E 943 25.497 -12.798 37.908 1.00 0.00 O +HETATM18876 H1 T4P E 943 25.171 -13.486 37.328 1.00 0.00 H +HETATM18877 H2 T4P E 943 25.919 -12.170 37.321 1.00 0.00 H +HETATM18878 O T4P E 944 25.940 3.704 -39.414 1.00 0.00 O +HETATM18879 H1 T4P E 944 26.605 3.275 -38.875 1.00 0.00 H +HETATM18880 H2 T4P E 944 26.282 3.650 -40.306 1.00 0.00 H +HETATM18881 O T4P E 945 34.408 1.669 -37.736 1.00 0.00 O +HETATM18882 H1 T4P E 945 34.989 2.041 -37.073 1.00 0.00 H +HETATM18883 H2 T4P E 945 34.410 0.729 -37.557 1.00 0.00 H +HETATM18884 O T4P E 946 20.847 -8.791 -25.305 1.00 0.00 O +HETATM18885 H1 T4P E 946 20.843 -8.055 -24.694 1.00 0.00 H +HETATM18886 H2 T4P E 946 20.732 -8.390 -26.167 1.00 0.00 H +HETATM18887 O T4P E 947 26.475 -3.533 44.033 1.00 0.00 O +HETATM18888 H1 T4P E 947 26.723 -4.038 44.807 1.00 0.00 H +HETATM18889 H2 T4P E 947 26.495 -2.621 44.324 1.00 0.00 H +HETATM18890 O T4P E 948 14.201 -15.397 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-32.659 -6.235 37.346 1.00 0.00 H +HETATM18908 O T4P E 954 32.438 -11.575 -36.509 1.00 0.00 O +HETATM18909 H1 T4P E 954 32.105 -10.920 -35.896 1.00 0.00 H +HETATM18910 H2 T4P E 954 31.656 -12.021 -36.833 1.00 0.00 H +HETATM18911 O T4P E 955 10.378 1.078 -39.946 1.00 0.00 O +HETATM18912 H1 T4P E 955 10.089 0.848 -39.063 1.00 0.00 H +HETATM18913 H2 T4P E 955 11.331 0.986 -39.919 1.00 0.00 H +HETATM18914 O T4P E 956 11.889 23.576 29.095 1.00 0.00 O +HETATM18915 H1 T4P E 956 11.722 23.518 30.036 1.00 0.00 H +HETATM18916 H2 T4P E 956 11.031 23.447 28.691 1.00 0.00 H +HETATM18917 O T4P E 957 8.725 -13.959 -25.914 1.00 0.00 O +HETATM18918 H1 T4P E 957 9.354 -14.676 -25.993 1.00 0.00 H +HETATM18919 H2 T4P E 957 8.992 -13.331 -26.585 1.00 0.00 H +HETATM18920 O T4P E 958 31.413 -0.143 44.914 1.00 0.00 O +HETATM18921 H1 T4P E 958 31.095 0.758 44.857 1.00 0.00 H +HETATM18922 H2 T4P E 958 30.622 -0.671 45.022 1.00 0.00 H +HETATM18923 O T4P E 959 13.041 14.722 39.048 1.00 0.00 O +HETATM18924 H1 T4P E 959 13.317 13.907 38.628 1.00 0.00 H +HETATM18925 H2 T4P E 959 12.275 15.003 38.547 1.00 0.00 H +HETATM18926 O T4P E 960 7.643 7.896 -38.773 1.00 0.00 O +HETATM18927 H1 T4P E 960 7.926 8.736 -39.134 1.00 0.00 H +HETATM18928 H2 T4P E 960 8.422 7.342 -38.815 1.00 0.00 H +HETATM18929 O T4P E 961 -15.096 4.933 38.552 1.00 0.00 O +HETATM18930 H1 T4P E 961 -14.242 5.147 38.926 1.00 0.00 H +HETATM18931 H2 T4P E 961 -14.896 4.380 37.797 1.00 0.00 H +HETATM18932 O T4P E 962 20.677 -12.037 28.526 1.00 0.00 O +HETATM18933 H1 T4P E 962 20.089 -12.640 28.073 1.00 0.00 H +HETATM18934 H2 T4P E 962 21.527 -12.477 28.516 1.00 0.00 H +HETATM18935 O T4P E 963 8.990 -1.793 39.086 1.00 0.00 O +HETATM18936 H1 T4P E 963 9.456 -1.046 38.711 1.00 0.00 H +HETATM18937 H2 T4P E 963 9.622 -2.511 39.056 1.00 0.00 H +HETATM18938 O T4P E 964 -17.545 10.340 38.532 1.00 0.00 O +HETATM18939 H1 T4P E 964 -17.017 9.559 38.364 1.00 0.00 H +HETATM18940 H2 T4P E 964 -16.909 11.010 38.783 1.00 0.00 H +HETATM18941 O T4P E 965 -0.035 -17.487 -36.884 1.00 0.00 O +HETATM18942 H1 T4P E 965 0.640 -17.278 -36.238 1.00 0.00 H +HETATM18943 H2 T4P E 965 0.443 -17.880 -37.613 1.00 0.00 H +HETATM18944 O T4P E 966 6.304 -3.568 -28.648 1.00 0.00 O +HETATM18945 H1 T4P E 966 5.458 -4.016 -28.650 1.00 0.00 H +HETATM18946 H2 T4P E 966 6.150 -2.767 -28.148 1.00 0.00 H +HETATM18947 O T4P E 967 16.222 3.709 43.450 1.00 0.00 O +HETATM18948 H1 T4P E 967 15.665 4.466 43.630 1.00 0.00 H +HETATM18949 H2 T4P E 967 15.791 3.262 42.721 1.00 0.00 H +HETATM18950 O T4P E 968 0.207 11.595 25.901 1.00 0.00 O +HETATM18951 H1 T4P E 968 -0.659 11.940 26.121 1.00 0.00 H +HETATM18952 H2 T4P E 968 0.803 12.041 26.504 1.00 0.00 H +HETATM18953 O T4P E 969 23.000 -22.645 -41.851 1.00 0.00 O +HETATM18954 H1 T4P E 969 22.418 -22.194 -42.462 1.00 0.00 H +HETATM18955 H2 T4P E 969 23.804 -22.793 -42.349 1.00 0.00 H +HETATM18956 O T4P E 970 19.972 10.074 -44.843 1.00 0.00 O +HETATM18957 H1 T4P E 970 20.072 10.433 -45.725 1.00 0.00 H +HETATM18958 H2 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-40.408 1.00 0.00 H +HETATM19009 H2 T4P E 987 -29.880 29.300 -41.077 1.00 0.00 H +HETATM19010 O T4P E 988 -27.648 -28.638 -19.808 1.00 0.00 O +HETATM19011 H1 T4P E 988 -26.749 -28.395 -20.027 1.00 0.00 H +HETATM19012 H2 T4P E 988 -27.918 -27.996 -19.152 1.00 0.00 H +HETATM19013 O T4P E 989 14.008 15.821 24.230 1.00 0.00 O +HETATM19014 H1 T4P E 989 14.315 15.776 23.324 1.00 0.00 H +HETATM19015 H2 T4P E 989 13.857 14.909 24.478 1.00 0.00 H +HETATM19016 O T4P E 990 28.582 9.620 -45.013 1.00 0.00 O +HETATM19017 H1 T4P E 990 28.047 10.247 -44.527 1.00 0.00 H +HETATM19018 H2 T4P E 990 29.053 9.132 -44.338 1.00 0.00 H +HETATM19019 O T4P E 991 22.090 -15.116 43.876 1.00 0.00 O +HETATM19020 H1 T4P E 991 22.260 -14.872 44.786 1.00 0.00 H +HETATM19021 H2 T4P E 991 21.249 -14.707 43.671 1.00 0.00 H +HETATM19022 O T4P E 992 12.573 4.229 34.184 1.00 0.00 O +HETATM19023 H1 T4P E 992 13.253 3.656 33.830 1.00 0.00 H +HETATM19024 H2 T4P E 992 12.057 4.490 33.421 1.00 0.00 H +HETATM19025 O T4P E 993 24.520 22.783 -40.355 1.00 0.00 O +HETATM19026 H1 T4P E 993 23.629 22.512 -40.575 1.00 0.00 H +HETATM19027 H2 T4P E 993 24.959 21.974 -40.092 1.00 0.00 H +HETATM19028 O T4P E 994 10.953 0.526 44.240 1.00 0.00 O +HETATM19029 H1 T4P E 994 10.423 0.357 45.019 1.00 0.00 H +HETATM19030 H2 T4P E 994 11.820 0.746 44.582 1.00 0.00 H +HETATM19031 O T4P E 995 11.592 -25.378 45.554 1.00 0.00 O +HETATM19032 H1 T4P E 995 10.796 -25.167 45.067 1.00 0.00 H +HETATM19033 H2 T4P E 995 11.302 -25.983 46.237 1.00 0.00 H +HETATM19034 O T4P E 996 27.846 11.045 35.972 1.00 0.00 O +HETATM19035 H1 T4P E 996 28.749 11.231 35.714 1.00 0.00 H +HETATM19036 H2 T4P E 996 27.446 11.907 36.089 1.00 0.00 H +HETATM19037 O T4P E 997 6.897 17.560 40.102 1.00 0.00 O +HETATM19038 H1 T4P E 997 5.984 17.317 40.256 1.00 0.00 H +HETATM19039 H2 T4P E 997 6.922 18.505 40.255 1.00 0.00 H +HETATM19040 O T4P E 998 12.848 8.823 36.054 1.00 0.00 O +HETATM19041 H1 T4P E 998 12.930 9.174 35.167 1.00 0.00 H +HETATM19042 H2 T4P E 998 13.369 9.415 36.596 1.00 0.00 H +HETATM19043 O T4P E 999 20.606 22.385 46.168 1.00 0.00 O +HETATM19044 H1 T4P E 999 21.014 22.387 47.033 1.00 0.00 H +HETATM19045 H2 T4P E 999 20.562 21.460 45.925 1.00 0.00 H +HETATM19046 O T4P E1000 12.995 21.295 34.858 1.00 0.00 O +HETATM19047 H1 T4P E1000 13.358 22.039 34.378 1.00 0.00 H +HETATM19048 H2 T4P E1000 12.721 21.661 35.698 1.00 0.00 H +HETATM19049 O T4P E1001 -22.438 27.060 35.871 1.00 0.00 O +HETATM19050 H1 T4P E1001 -22.817 26.784 36.706 1.00 0.00 H +HETATM19051 H2 T4P E1001 -23.156 26.978 35.243 1.00 0.00 H +HETATM19052 O T4P E1002 22.037 3.092 -39.571 1.00 0.00 O +HETATM19053 H1 T4P E1002 22.264 3.839 -40.125 1.00 0.00 H +HETATM19054 H2 T4P E1002 21.490 2.538 -40.127 1.00 0.00 H +HETATM19055 O T4P E1003 -27.680 17.329 -31.487 1.00 0.00 O +HETATM19056 H1 T4P E1003 -27.572 18.124 -30.966 1.00 0.00 H +HETATM19057 H2 T4P E1003 -28.153 16.728 -30.912 1.00 0.00 H +HETATM19058 O T4P E1004 -20.422 -17.409 41.641 1.00 0.00 O +HETATM19059 H1 T4P E1004 -20.307 -16.863 40.864 1.00 0.00 H +HETATM19060 H2 T4P E1004 -21.021 -16.910 42.198 1.00 0.00 H +HETATM19061 O T4P E1005 -0.935 10.837 36.924 1.00 0.00 O +HETATM19062 H1 T4P E1005 -0.691 10.347 37.709 1.00 0.00 H +HETATM19063 H2 T4P E1005 -0.324 10.533 36.253 1.00 0.00 H +HETATM19064 O T4P E1006 26.285 12.417 42.609 1.00 0.00 O +HETATM19065 H1 T4P E1006 26.845 11.653 42.471 1.00 0.00 H +HETATM19066 H2 T4P E1006 26.475 12.992 41.868 1.00 0.00 H +HETATM19067 O T4P E1007 30.498 -29.209 30.578 1.00 0.00 O +HETATM19068 H1 T4P E1007 31.349 -28.783 30.477 1.00 0.00 H +HETATM19069 H2 T4P E1007 30.708 -30.120 30.780 1.00 0.00 H +HETATM19070 O T4P E1008 28.562 -29.094 -39.227 1.00 0.00 O +HETATM19071 H1 T4P E1008 29.336 -28.837 -39.727 1.00 0.00 H +HETATM19072 H2 T4P E1008 27.910 -28.423 -39.432 1.00 0.00 H +HETATM19073 O T4P E1009 -30.726 7.291 -42.034 1.00 0.00 O +HETATM19074 H1 T4P E1009 -31.468 7.893 -42.086 1.00 0.00 H +HETATM19075 H2 T4P E1009 -30.618 6.965 -42.927 1.00 0.00 H 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H2 T4P E1015 31.097 12.688 38.864 1.00 0.00 H +HETATM19094 O T4P E1016 23.470 6.063 35.465 1.00 0.00 O +HETATM19095 H1 T4P E1016 23.637 6.937 35.114 1.00 0.00 H +HETATM19096 H2 T4P E1016 24.032 5.485 34.948 1.00 0.00 H +HETATM19097 O T4P E1017 27.046 -3.355 33.467 1.00 0.00 O +HETATM19098 H1 T4P E1017 27.511 -2.707 32.939 1.00 0.00 H +HETATM19099 H2 T4P E1017 27.470 -4.186 33.255 1.00 0.00 H +HETATM19100 O T4P E1018 -12.305 22.811 41.280 1.00 0.00 O +HETATM19101 H1 T4P E1018 -12.691 23.664 41.083 1.00 0.00 H +HETATM19102 H2 T4P E1018 -11.399 22.882 40.979 1.00 0.00 H +HETATM19103 O T4P E1019 15.616 13.974 -41.713 1.00 0.00 O +HETATM19104 H1 T4P E1019 15.258 14.578 -41.063 1.00 0.00 H +HETATM19105 H2 T4P E1019 15.603 14.468 -42.533 1.00 0.00 H +HETATM19106 O T4P E1020 -29.278 26.261 37.240 1.00 0.00 O +HETATM19107 H1 T4P E1020 -29.463 25.715 38.004 1.00 0.00 H +HETATM19108 H2 T4P E1020 -29.709 27.094 37.431 1.00 0.00 H +HETATM19109 O T4P E1021 16.419 -24.779 28.771 1.00 0.00 O 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18.116 21.363 30.951 1.00 0.00 H +HETATM19565 O T4P E1173 11.027 18.525 28.907 1.00 0.00 O +HETATM19566 H1 T4P E1173 10.216 19.013 28.765 1.00 0.00 H +HETATM19567 H2 T4P E1173 11.652 19.182 29.212 1.00 0.00 H +HETATM19568 O T4P E1174 33.873 6.137 -36.864 1.00 0.00 O +HETATM19569 H1 T4P E1174 33.519 5.440 -37.416 1.00 0.00 H +HETATM19570 H2 T4P E1174 34.572 6.527 -37.389 1.00 0.00 H +HETATM19571 O T4P E1175 22.320 25.102 -39.468 1.00 0.00 O +HETATM19572 H1 T4P E1175 21.692 25.083 -40.190 1.00 0.00 H +HETATM19573 H2 T4P E1175 22.101 24.336 -38.938 1.00 0.00 H +HETATM19574 O T4P E1176 -13.606 -19.647 -35.299 1.00 0.00 O +HETATM19575 H1 T4P E1176 -13.033 -19.498 -36.051 1.00 0.00 H +HETATM19576 H2 T4P E1176 -13.381 -18.948 -34.684 1.00 0.00 H +HETATM19577 O T4P E1177 32.300 12.908 43.271 1.00 0.00 O +HETATM19578 H1 T4P E1177 32.724 12.053 43.207 1.00 0.00 H +HETATM19579 H2 T4P E1177 31.363 12.713 43.261 1.00 0.00 H +HETATM19580 O T4P E1178 -34.854 26.502 -27.450 1.00 0.00 O +HETATM19581 H1 T4P E1178 -34.379 25.699 -27.662 1.00 0.00 H +HETATM19582 H2 T4P E1178 -34.395 26.859 -26.690 1.00 0.00 H +HETATM19583 O T4P E1179 16.453 13.216 -45.652 1.00 0.00 O +HETATM19584 H1 T4P E1179 17.130 13.159 -46.326 1.00 0.00 H +HETATM19585 H2 T4P E1179 16.640 12.486 -45.062 1.00 0.00 H +HETATM19586 O T4P E1180 14.614 25.232 -33.847 1.00 0.00 O +HETATM19587 H1 T4P E1180 14.887 26.135 -33.682 1.00 0.00 H +HETATM19588 H2 T4P E1180 13.869 25.096 -33.261 1.00 0.00 H +HETATM19589 O T4P E1181 21.120 4.660 -32.788 1.00 0.00 O +HETATM19590 H1 T4P E1181 20.837 5.277 -33.463 1.00 0.00 H +HETATM19591 H2 T4P E1181 22.070 4.611 -32.892 1.00 0.00 H +HETATM19592 O T4P E1182 33.037 18.268 -39.861 1.00 0.00 O +HETATM19593 H1 T4P E1182 33.049 17.845 -40.719 1.00 0.00 H +HETATM19594 H2 T4P E1182 32.151 18.620 -39.778 1.00 0.00 H +HETATM19595 O T4P E1183 17.279 -22.998 -37.777 1.00 0.00 O +HETATM19596 H1 T4P E1183 16.593 -23.279 -37.170 1.00 0.00 H +HETATM19597 H2 T4P E1183 17.526 -23.796 -38.245 1.00 0.00 H 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H +HETATM19615 H2 T4P E1189 33.726 10.963 44.197 1.00 0.00 H +HETATM19616 O T4P E1190 4.836 28.465 -45.046 1.00 0.00 O +HETATM19617 H1 T4P E1190 3.985 28.037 -44.955 1.00 0.00 H +HETATM19618 H2 T4P E1190 5.451 27.747 -45.201 1.00 0.00 H +HETATM19619 O T4P E1191 -2.315 15.631 -46.153 1.00 0.00 O +HETATM19620 H1 T4P E1191 -2.634 16.512 -45.961 1.00 0.00 H +HETATM19621 H2 T4P E1191 -1.537 15.533 -45.604 1.00 0.00 H +HETATM19622 O T4P E1192 26.042 13.569 -25.146 1.00 0.00 O +HETATM19623 H1 T4P E1192 26.365 13.520 -26.045 1.00 0.00 H +HETATM19624 H2 T4P E1192 26.819 13.759 -24.621 1.00 0.00 H +HETATM19625 O T4P E1193 -13.536 27.266 35.306 1.00 0.00 O +HETATM19626 H1 T4P E1193 -14.166 27.983 35.384 1.00 0.00 H +HETATM19627 H2 T4P E1193 -14.055 26.475 35.452 1.00 0.00 H +HETATM19628 O T4P E1194 23.030 -29.339 36.198 1.00 0.00 O +HETATM19629 H1 T4P E1194 23.569 -29.904 35.645 1.00 0.00 H +HETATM19630 H2 T4P E1194 23.343 -28.454 36.015 1.00 0.00 H +HETATM19631 O T4P E1195 22.128 29.157 -41.780 1.00 0.00 O +HETATM19632 H1 T4P E1195 22.132 29.590 -42.634 1.00 0.00 H +HETATM19633 H2 T4P E1195 22.655 28.368 -41.909 1.00 0.00 H +HETATM19634 O T4P E1196 14.994 -17.125 -34.624 1.00 0.00 O +HETATM19635 H1 T4P E1196 15.865 -17.502 -34.500 1.00 0.00 H +HETATM19636 H2 T4P E1196 15.081 -16.568 -35.397 1.00 0.00 H +HETATM19637 O T4P E1197 26.581 -14.893 26.390 1.00 0.00 O +HETATM19638 H1 T4P E1197 26.310 -15.735 26.757 1.00 0.00 H +HETATM19639 H2 T4P E1197 25.928 -14.270 26.710 1.00 0.00 H +HETATM19640 O T4P E1198 23.702 12.569 -44.072 1.00 0.00 O +HETATM19641 H1 T4P E1198 24.233 13.157 -43.535 1.00 0.00 H +HETATM19642 H2 T4P E1198 23.018 12.256 -43.480 1.00 0.00 H +HETATM19643 O T4P E1199 31.063 24.994 -40.184 1.00 0.00 O +HETATM19644 H1 T4P E1199 30.898 24.353 -40.876 1.00 0.00 H +HETATM19645 H2 T4P E1199 32.002 24.922 -40.010 1.00 0.00 H +HETATM19646 O T4P E1200 7.568 -20.947 -43.872 1.00 0.00 O +HETATM19647 H1 T4P E1200 7.084 -21.639 -43.422 1.00 0.00 H +HETATM19648 H2 T4P E1200 7.078 -20.800 -44.682 1.00 0.00 H +HETATM19649 O T4P E1201 32.819 22.013 31.025 1.00 0.00 O +HETATM19650 H1 T4P E1201 33.736 21.940 31.290 1.00 0.00 H +HETATM19651 H2 T4P E1201 32.792 22.788 30.464 1.00 0.00 H +HETATM19652 O T4P E1202 9.660 4.072 -45.586 1.00 0.00 O +HETATM19653 H1 T4P E1202 9.386 4.434 -46.429 1.00 0.00 H +HETATM19654 H2 T4P E1202 10.061 4.811 -45.127 1.00 0.00 H +HETATM19655 O T4P E1203 13.585 -22.598 -44.278 1.00 0.00 O +HETATM19656 H1 T4P E1203 13.799 -22.102 -43.487 1.00 0.00 H +HETATM19657 H2 T4P E1203 13.695 -21.969 -44.991 1.00 0.00 H +HETATM19658 O T4P E1204 22.860 24.349 -26.589 1.00 0.00 O +HETATM19659 H1 T4P E1204 23.723 24.396 -26.999 1.00 0.00 H +HETATM19660 H2 T4P E1204 22.247 24.550 -27.297 1.00 0.00 H +HETATM19661 O T4P E1205 20.190 -9.799 -43.784 1.00 0.00 O +HETATM19662 H1 T4P E1205 19.506 -9.400 -44.321 1.00 0.00 H +HETATM19663 H2 T4P E1205 20.544 -9.075 -43.268 1.00 0.00 H +HETATM19664 O T4P E1206 33.533 -27.750 35.976 1.00 0.00 O +HETATM19665 H1 T4P E1206 33.295 -27.082 35.334 1.00 0.00 H +HETATM19666 H2 T4P E1206 34.427 -27.527 36.236 1.00 0.00 H +HETATM19667 O T4P E1207 28.544 7.748 26.799 1.00 0.00 O +HETATM19668 H1 T4P E1207 28.246 8.418 27.414 1.00 0.00 H +HETATM19669 H2 T4P E1207 27.977 6.996 26.970 1.00 0.00 H +HETATM19670 O T4P E1208 12.329 26.641 -40.728 1.00 0.00 O +HETATM19671 H1 T4P E1208 12.955 26.244 -40.122 1.00 0.00 H +HETATM19672 H2 T4P E1208 11.637 25.985 -40.820 1.00 0.00 H +HETATM19673 O T4P E1209 28.429 18.173 41.934 1.00 0.00 O +HETATM19674 H1 T4P E1209 27.733 18.784 41.695 1.00 0.00 H +HETATM19675 H2 T4P E1209 28.684 18.434 42.819 1.00 0.00 H +HETATM19676 O T4P E1210 17.598 -18.046 -34.416 1.00 0.00 O +HETATM19677 H1 T4P E1210 17.974 -18.326 -35.251 1.00 0.00 H +HETATM19678 H2 T4P E1210 17.586 -17.090 -34.467 1.00 0.00 H +HETATM19679 O T4P E1211 24.800 6.502 -45.648 1.00 0.00 O +HETATM19680 H1 T4P E1211 24.813 6.982 -44.820 1.00 0.00 H +HETATM19681 H2 T4P E1211 24.719 7.181 -46.318 1.00 0.00 H 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0.00 H +HETATM19699 H2 T4P E1217 0.542 15.376 39.304 1.00 0.00 H +HETATM19700 O T4P E1218 9.761 25.144 -41.088 1.00 0.00 O +HETATM19701 H1 T4P E1218 9.472 24.257 -41.302 1.00 0.00 H +HETATM19702 H2 T4P E1218 8.998 25.553 -40.680 1.00 0.00 H +HETATM19703 O T4P E1219 4.539 26.176 42.232 1.00 0.00 O +HETATM19704 H1 T4P E1219 4.302 25.826 41.373 1.00 0.00 H +HETATM19705 H2 T4P E1219 4.993 26.996 42.040 1.00 0.00 H +HETATM19706 O T4P E1220 5.011 -18.741 -43.852 1.00 0.00 O +HETATM19707 H1 T4P E1220 4.127 -19.050 -43.659 1.00 0.00 H +HETATM19708 H2 T4P E1220 5.532 -19.540 -43.938 1.00 0.00 H +HETATM19709 O T4P E1221 10.802 -15.973 -25.711 1.00 0.00 O +HETATM19710 H1 T4P E1221 11.098 -16.803 -25.336 1.00 0.00 H +HETATM19711 H2 T4P E1221 11.454 -15.765 -26.380 1.00 0.00 H +HETATM19712 O T4P E1222 21.089 21.556 -30.591 1.00 0.00 O +HETATM19713 H1 T4P E1222 20.536 22.335 -30.648 1.00 0.00 H +HETATM19714 H2 T4P E1222 20.527 20.891 -30.191 1.00 0.00 H +HETATM19715 O T4P E1223 -0.516 17.063 32.020 1.00 0.00 O +HETATM19716 H1 T4P E1223 -1.151 16.875 32.711 1.00 0.00 H +HETATM19717 H2 T4P E1223 -0.820 16.552 31.270 1.00 0.00 H +HETATM19718 O T4P E1224 15.205 27.171 -31.943 1.00 0.00 O +HETATM19719 H1 T4P E1224 15.986 27.514 -32.380 1.00 0.00 H +HETATM19720 H2 T4P E1224 14.827 27.929 -31.498 1.00 0.00 H +HETATM19721 O T4P E1225 20.765 20.127 36.689 1.00 0.00 O +HETATM19722 H1 T4P E1225 20.288 20.153 35.860 1.00 0.00 H +HETATM19723 H2 T4P E1225 20.308 20.756 37.249 1.00 0.00 H +HETATM19724 O T4P E1226 27.896 26.189 -30.593 1.00 0.00 O +HETATM19725 H1 T4P E1226 27.812 26.321 -29.648 1.00 0.00 H +HETATM19726 H2 T4P E1226 27.499 25.332 -30.752 1.00 0.00 H +HETATM19727 O T4P E1227 17.964 15.701 -34.632 1.00 0.00 O +HETATM19728 H1 T4P E1227 17.495 15.023 -34.146 1.00 0.00 H +HETATM19729 H2 T4P E1227 18.074 15.335 -35.509 1.00 0.00 H +HETATM19730 O T4P E1228 17.990 16.095 -45.735 1.00 0.00 O +HETATM19731 H1 T4P E1228 18.483 16.707 -46.282 1.00 0.00 H +HETATM19732 H2 T4P E1228 18.448 15.261 -45.833 1.00 0.00 H +HETATM19733 O T4P E1229 10.338 -26.226 -24.200 1.00 0.00 O +HETATM19734 H1 T4P E1229 9.992 -25.365 -24.437 1.00 0.00 H +HETATM19735 H2 T4P E1229 9.925 -26.829 -24.818 1.00 0.00 H +HETATM19736 O T4P E1230 15.834 13.582 35.800 1.00 0.00 O +HETATM19737 H1 T4P E1230 16.391 12.805 35.853 1.00 0.00 H +HETATM19738 H2 T4P E1230 15.173 13.358 35.145 1.00 0.00 H +HETATM19739 O T4P E1231 4.498 -15.218 30.425 1.00 0.00 O +HETATM19740 H1 T4P E1231 5.058 -15.629 29.765 1.00 0.00 H +HETATM19741 H2 T4P E1231 4.789 -14.307 30.454 1.00 0.00 H +HETATM19742 O T4P E1232 -26.259 -1.915 -44.396 1.00 0.00 O +HETATM19743 H1 T4P E1232 -25.751 -2.381 -45.061 1.00 0.00 H +HETATM19744 H2 T4P E1232 -27.168 -2.005 -44.684 1.00 0.00 H +HETATM19745 O T4P E1233 27.650 26.564 -23.596 1.00 0.00 O +HETATM19746 H1 T4P E1233 27.819 25.641 -23.785 1.00 0.00 H +HETATM19747 H2 T4P E1233 27.476 26.955 -24.452 1.00 0.00 H +HETATM19748 O T4P E1234 28.645 -21.211 36.829 1.00 0.00 O +HETATM19749 H1 T4P E1234 28.461 -20.288 36.653 1.00 0.00 H +HETATM19750 H2 T4P E1234 28.227 -21.681 36.108 1.00 0.00 H +HETATM19751 O T4P E1235 28.250 22.189 42.053 1.00 0.00 O +HETATM19752 H1 T4P E1235 27.844 21.908 42.873 1.00 0.00 H +HETATM19753 H2 T4P E1235 29.019 21.626 41.960 1.00 0.00 H +HETATM19754 O T4P E1236 22.565 28.790 -44.838 1.00 0.00 O +HETATM19755 H1 T4P E1236 23.052 29.007 -45.633 1.00 0.00 H +HETATM19756 H2 T4P E1236 21.869 28.205 -45.136 1.00 0.00 H +HETATM19757 O T4P E1237 3.156 -2.139 -35.703 1.00 0.00 O +HETATM19758 H1 T4P E1237 2.642 -2.399 -36.467 1.00 0.00 H +HETATM19759 H2 T4P E1237 2.538 -1.664 -35.148 1.00 0.00 H +HETATM19760 O T4P E1238 6.448 -27.786 42.125 1.00 0.00 O +HETATM19761 H1 T4P E1238 5.712 -27.216 41.902 1.00 0.00 H +HETATM19762 H2 T4P E1238 6.678 -27.542 43.022 1.00 0.00 H +HETATM19763 O T4P E1239 13.724 4.824 -46.203 1.00 0.00 O +HETATM19764 H1 T4P E1239 13.876 5.740 -45.973 1.00 0.00 H +HETATM19765 H2 T4P E1239 13.476 4.407 -45.378 1.00 0.00 H +HETATM19766 O T4P E1240 19.858 22.218 20.345 1.00 0.00 O +HETATM19767 H1 T4P E1240 19.447 22.555 21.140 1.00 0.00 H +HETATM19768 H2 T4P E1240 20.779 22.469 20.426 1.00 0.00 H +HETATM19769 O T4P E1241 -27.846 22.858 36.407 1.00 0.00 O +HETATM19770 H1 T4P E1241 -27.354 22.488 35.674 1.00 0.00 H +HETATM19771 H2 T4P E1241 -27.543 23.764 36.467 1.00 0.00 H +HETATM19772 O T4P E1242 19.029 23.843 -32.742 1.00 0.00 O +HETATM19773 H1 T4P E1242 18.128 23.574 -32.919 1.00 0.00 H +HETATM19774 H2 T4P E1242 19.004 24.799 -32.772 1.00 0.00 H +HETATM19775 O T4P E1243 17.233 -27.995 39.661 1.00 0.00 O +HETATM19776 H1 T4P E1243 17.440 -27.775 38.753 1.00 0.00 H +HETATM19777 H2 T4P E1243 16.300 -28.207 39.651 1.00 0.00 H +HETATM19778 O T4P E1244 14.901 -20.112 -35.596 1.00 0.00 O +HETATM19779 H1 T4P E1244 14.309 -20.319 -36.319 1.00 0.00 H +HETATM19780 H2 T4P E1244 14.781 -19.174 -35.449 1.00 0.00 H +HETATM19781 O T4P E1245 14.365 -21.106 -42.086 1.00 0.00 O +HETATM19782 H1 T4P E1245 15.015 -21.417 -41.457 1.00 0.00 H 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O +HETATM19800 H1 T4P E1251 19.967 -16.262 22.840 1.00 0.00 H +HETATM19801 H2 T4P E1251 19.750 -16.557 24.309 1.00 0.00 H +HETATM19802 O T4P E1252 22.786 -21.164 34.349 1.00 0.00 O +HETATM19803 H1 T4P E1252 22.656 -20.378 34.880 1.00 0.00 H +HETATM19804 H2 T4P E1252 22.405 -21.871 34.870 1.00 0.00 H +HETATM19805 O T4P E1253 33.119 -20.605 43.898 1.00 0.00 O +HETATM19806 H1 T4P E1253 32.458 -19.924 43.772 1.00 0.00 H +HETATM19807 H2 T4P E1253 33.168 -21.051 43.052 1.00 0.00 H +HETATM19808 O T4P E1254 12.878 -5.192 34.818 1.00 0.00 O +HETATM19809 H1 T4P E1254 13.164 -5.426 33.935 1.00 0.00 H +HETATM19810 H2 T4P E1254 13.158 -4.284 34.928 1.00 0.00 H +HETATM19811 O T4P E1255 17.827 17.656 31.498 1.00 0.00 O +HETATM19812 H1 T4P E1255 17.020 18.125 31.712 1.00 0.00 H +HETATM19813 H2 T4P E1255 17.747 17.453 30.566 1.00 0.00 H +HETATM19814 O T4P E1256 27.795 -7.067 26.339 1.00 0.00 O +HETATM19815 H1 T4P E1256 28.015 -6.172 26.600 1.00 0.00 H +HETATM19816 H2 T4P E1256 26.895 -7.190 26.642 1.00 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T4P E1273 -23.456 -25.865 -27.425 1.00 0.00 H +HETATM19868 O T4P E1274 22.002 22.149 25.132 1.00 0.00 O +HETATM19869 H1 T4P E1274 21.556 22.293 24.298 1.00 0.00 H +HETATM19870 H2 T4P E1274 22.821 22.638 25.053 1.00 0.00 H +HETATM19871 O T4P E1275 -29.072 -13.785 -30.159 1.00 0.00 O +HETATM19872 H1 T4P E1275 -28.854 -13.945 -31.077 1.00 0.00 H +HETATM19873 H2 T4P E1275 -29.467 -12.913 -30.155 1.00 0.00 H +HETATM19874 O T4P E1276 -23.600 25.089 17.350 1.00 0.00 O +HETATM19875 H1 T4P E1276 -24.312 24.938 16.728 1.00 0.00 H +HETATM19876 H2 T4P E1276 -22.930 25.544 16.840 1.00 0.00 H +HETATM19877 O T4P E1277 25.502 -25.059 44.769 1.00 0.00 O +HETATM19878 H1 T4P E1277 25.804 -24.304 45.275 1.00 0.00 H +HETATM19879 H2 T4P E1277 24.904 -24.688 44.120 1.00 0.00 H +HETATM19880 O T4P E1278 24.685 -17.760 -35.418 1.00 0.00 O +HETATM19881 H1 T4P E1278 24.218 -17.674 -36.249 1.00 0.00 H +HETATM19882 H2 T4P E1278 25.611 -17.722 -35.657 1.00 0.00 H +HETATM19883 O T4P E1279 25.093 26.415 37.307 1.00 0.00 O +HETATM19884 H1 T4P E1279 24.825 26.599 38.207 1.00 0.00 H +HETATM19885 H2 T4P E1279 25.644 27.160 37.064 1.00 0.00 H +HETATM19886 O T4P E1280 -20.150 5.930 -28.947 1.00 0.00 O +HETATM19887 H1 T4P E1280 -19.251 5.653 -28.773 1.00 0.00 H +HETATM19888 H2 T4P E1280 -20.059 6.747 -29.437 1.00 0.00 H +HETATM19889 O T4P E1281 28.798 -15.852 -43.191 1.00 0.00 O +HETATM19890 H1 T4P E1281 29.243 -15.129 -42.749 1.00 0.00 H +HETATM19891 H2 T4P E1281 27.884 -15.772 -42.919 1.00 0.00 H +HETATM19892 O T4P E1282 32.516 -12.956 37.502 1.00 0.00 O +HETATM19893 H1 T4P E1282 31.785 -12.541 37.961 1.00 0.00 H +HETATM19894 H2 T4P E1282 33.271 -12.404 37.705 1.00 0.00 H +HETATM19895 O T4P E1283 14.515 -25.767 -37.914 1.00 0.00 O +HETATM19896 H1 T4P E1283 14.914 -25.279 -38.634 1.00 0.00 H +HETATM19897 H2 T4P E1283 14.801 -25.308 -37.125 1.00 0.00 H +HETATM19898 O T4P E1284 -6.854 -20.344 -33.254 1.00 0.00 O +HETATM19899 H1 T4P E1284 -7.246 -21.178 -32.996 1.00 0.00 H +HETATM19900 H2 T4P E1284 -7.554 -19.703 -33.134 1.00 0.00 H +HETATM19901 O T4P E1285 32.039 -21.211 24.738 1.00 0.00 O +HETATM19902 H1 T4P E1285 31.719 -20.644 25.439 1.00 0.00 H +HETATM19903 H2 T4P E1285 32.822 -20.769 24.409 1.00 0.00 H +HETATM19904 O T4P E1286 12.359 -23.893 39.436 1.00 0.00 O +HETATM19905 H1 T4P E1286 12.378 -23.114 39.992 1.00 0.00 H +HETATM19906 H2 T4P E1286 11.848 -23.630 38.671 1.00 0.00 H +HETATM19907 O T4P E1287 -7.893 26.116 38.581 1.00 0.00 O +HETATM19908 H1 T4P E1287 -7.631 26.904 38.105 1.00 0.00 H +HETATM19909 H2 T4P E1287 -7.670 26.301 39.493 1.00 0.00 H +HETATM19910 O T4P E1288 31.452 3.514 33.905 1.00 0.00 O +HETATM19911 H1 T4P E1288 32.254 4.015 33.756 1.00 0.00 H +HETATM19912 H2 T4P E1288 31.361 2.968 33.125 1.00 0.00 H +HETATM19913 O T4P E1289 -19.956 16.080 -43.152 1.00 0.00 O +HETATM19914 H1 T4P E1289 -20.896 15.954 -43.279 1.00 0.00 H +HETATM19915 H2 T4P E1289 -19.779 15.711 -42.286 1.00 0.00 H +HETATM19916 O T4P E1290 -0.788 27.151 27.892 1.00 0.00 O +HETATM19917 H1 T4P E1290 -0.307 27.476 28.653 1.00 0.00 H +HETATM19918 H2 T4P E1290 -0.418 27.632 27.151 1.00 0.00 H +HETATM19919 O T4P E1291 25.513 -27.294 37.580 1.00 0.00 O +HETATM19920 H1 T4P E1291 24.792 -27.097 36.982 1.00 0.00 H +HETATM19921 H2 T4P E1291 26.301 -27.057 37.092 1.00 0.00 H +HETATM19922 O T4P E1292 15.420 -20.221 -22.752 1.00 0.00 O +HETATM19923 H1 T4P E1292 15.147 -21.134 -22.835 1.00 0.00 H +HETATM19924 H2 T4P E1292 15.268 -19.845 -23.620 1.00 0.00 H +HETATM19925 O T4P E1293 -10.774 25.345 -39.856 1.00 0.00 O +HETATM19926 H1 T4P E1293 -10.752 25.167 -40.797 1.00 0.00 H +HETATM19927 H2 T4P E1293 -10.706 24.483 -39.447 1.00 0.00 H +HETATM19928 O T4P E1294 29.016 -16.457 43.366 1.00 0.00 O +HETATM19929 H1 T4P E1294 29.560 -15.977 43.991 1.00 0.00 H +HETATM19930 H2 T4P E1294 29.356 -16.203 42.508 1.00 0.00 H +HETATM19931 O T4P E1295 1.984 12.841 27.602 1.00 0.00 O +HETATM19932 H1 T4P E1295 2.697 12.377 28.042 1.00 0.00 H +HETATM19933 H2 T4P E1295 1.499 13.263 28.312 1.00 0.00 H +HETATM19934 O T4P E1296 15.393 -20.593 26.870 1.00 0.00 O +HETATM19935 H1 T4P E1296 16.154 -20.610 27.450 1.00 0.00 H +HETATM19936 H2 T4P E1296 15.029 -21.477 26.924 1.00 0.00 H +HETATM19937 O T4P E1297 21.320 0.243 -36.650 1.00 0.00 O +HETATM19938 H1 T4P E1297 20.370 0.223 -36.535 1.00 0.00 H +HETATM19939 H2 T4P E1297 21.643 -0.469 -36.097 1.00 0.00 H +HETATM19940 O T4P E1298 12.251 18.535 43.457 1.00 0.00 O +HETATM19941 H1 T4P E1298 12.885 18.527 44.174 1.00 0.00 H +HETATM19942 H2 T4P E1298 11.405 18.394 43.884 1.00 0.00 H +HETATM19943 O T4P E1299 16.979 -10.856 43.547 1.00 0.00 O +HETATM19944 H1 T4P E1299 17.349 -11.470 42.912 1.00 0.00 H +HETATM19945 H2 T4P E1299 16.178 -10.536 43.133 1.00 0.00 H +HETATM19946 O T4P E1300 24.103 -18.343 -45.207 1.00 0.00 O +HETATM19947 H1 T4P E1300 23.242 -17.934 -45.120 1.00 0.00 H +HETATM19948 H2 T4P E1300 24.191 -18.521 -46.143 1.00 0.00 H +HETATM19949 O T4P E1301 -18.141 -1.377 -44.778 1.00 0.00 O +HETATM19950 H1 T4P E1301 -18.847 -2.011 -44.907 1.00 0.00 H 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20.267 -16.469 33.745 1.00 0.00 H +HETATM19985 O T4P E1313 8.638 -27.860 -40.297 1.00 0.00 O +HETATM19986 H1 T4P E1313 8.441 -28.734 -39.959 1.00 0.00 H +HETATM19987 H2 T4P E1313 7.866 -27.621 -40.809 1.00 0.00 H +HETATM19988 O T4P E1314 -28.678 15.806 -45.598 1.00 0.00 O +HETATM19989 H1 T4P E1314 -29.596 15.926 -45.840 1.00 0.00 H +HETATM19990 H2 T4P E1314 -28.668 15.896 -44.645 1.00 0.00 H +HETATM19991 O T4P E1315 15.646 -12.342 -32.823 1.00 0.00 O +HETATM19992 H1 T4P E1315 15.874 -11.414 -32.759 1.00 0.00 H +HETATM19993 H2 T4P E1315 15.137 -12.409 -33.630 1.00 0.00 H +HETATM19994 O T4P E1316 -33.077 -24.175 23.858 1.00 0.00 O +HETATM19995 H1 T4P E1316 -33.097 -24.936 24.438 1.00 0.00 H +HETATM19996 H2 T4P E1316 -33.941 -23.775 23.957 1.00 0.00 H +HETATM19997 O T4P E1317 33.895 -22.459 45.955 1.00 0.00 O +HETATM19998 H1 T4P E1317 33.676 -22.060 45.113 1.00 0.00 H +HETATM19999 H2 T4P E1317 33.630 -21.808 46.605 1.00 0.00 H +HETATM20000 O T4P E1318 3.741 -20.022 31.354 1.00 0.00 O 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E1435 3.712 20.920 40.582 1.00 0.00 O +HETATM20352 H1 T4P E1435 4.622 20.849 40.295 1.00 0.00 H +HETATM20353 H2 T4P E1435 3.402 21.741 40.198 1.00 0.00 H +HETATM20354 O T4P E1436 8.097 -20.212 -38.308 1.00 0.00 O +HETATM20355 H1 T4P E1436 8.372 -21.075 -38.619 1.00 0.00 H +HETATM20356 H2 T4P E1436 8.385 -19.608 -38.992 1.00 0.00 H +HETATM20357 O T4P E1437 1.962 -16.256 29.757 1.00 0.00 O +HETATM20358 H1 T4P E1437 2.846 -15.918 29.899 1.00 0.00 H +HETATM20359 H2 T4P E1437 2.034 -16.796 28.971 1.00 0.00 H +HETATM20360 O T4P E1438 8.258 -21.177 -34.038 1.00 0.00 O +HETATM20361 H1 T4P E1438 8.330 -21.974 -33.513 1.00 0.00 H +HETATM20362 H2 T4P E1438 7.319 -20.993 -34.067 1.00 0.00 H +HETATM20363 O T4P E1439 27.673 -21.920 -32.734 1.00 0.00 O +HETATM20364 H1 T4P E1439 27.864 -22.624 -32.115 1.00 0.00 H +HETATM20365 H2 T4P E1439 27.393 -21.187 -32.184 1.00 0.00 H +HETATM20366 O T4P E1440 29.160 16.109 -44.354 1.00 0.00 O +HETATM20367 H1 T4P E1440 28.550 16.316 -43.645 1.00 0.00 H 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E1451 27.683 -21.001 32.407 1.00 0.00 H +HETATM20402 O T4P E1452 13.689 28.563 -42.021 1.00 0.00 O +HETATM20403 H1 T4P E1452 14.496 28.116 -42.278 1.00 0.00 H +HETATM20404 H2 T4P E1452 13.277 27.971 -41.391 1.00 0.00 H +HETATM20405 O T4P E1453 22.844 -19.178 -20.147 1.00 0.00 O +HETATM20406 H1 T4P E1453 22.028 -19.655 -20.300 1.00 0.00 H +HETATM20407 H2 T4P E1453 22.565 -18.327 -19.810 1.00 0.00 H +HETATM20408 O T4P E1454 22.076 -26.601 -32.730 1.00 0.00 O +HETATM20409 H1 T4P E1454 22.654 -26.103 -33.307 1.00 0.00 H +HETATM20410 H2 T4P E1454 21.221 -26.569 -33.160 1.00 0.00 H +HETATM20411 O T4P E1455 -24.399 -27.828 46.176 1.00 0.00 O +HETATM20412 H1 T4P E1455 -24.488 -27.376 45.336 1.00 0.00 H +HETATM20413 H2 T4P E1455 -24.950 -27.327 46.777 1.00 0.00 H +HETATM20414 O T4P E1456 9.626 -10.244 -43.360 1.00 0.00 O +HETATM20415 H1 T4P E1456 9.108 -9.471 -43.134 1.00 0.00 H +HETATM20416 H2 T4P E1456 9.243 -10.951 -42.840 1.00 0.00 H +HETATM20417 O T4P E1457 -0.156 -13.008 -30.634 1.00 0.00 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E1658 16.368 25.530 -40.887 1.00 0.00 O +HETATM21021 H1 T4P E1658 16.094 25.969 -41.692 1.00 0.00 H +HETATM21022 H2 T4P E1658 15.625 25.635 -40.292 1.00 0.00 H +HETATM21023 O T4P E1659 -28.925 26.871 -37.519 1.00 0.00 O +HETATM21024 H1 T4P E1659 -28.512 27.616 -37.954 1.00 0.00 H +HETATM21025 H2 T4P E1659 -29.306 27.239 -36.722 1.00 0.00 H +HETATM21026 O T4P E1660 29.562 20.326 -33.315 1.00 0.00 O +HETATM21027 H1 T4P E1660 29.993 21.157 -33.115 1.00 0.00 H +HETATM21028 H2 T4P E1660 28.745 20.354 -32.818 1.00 0.00 H +HETATM21029 O T4P E1661 -29.988 10.111 40.965 1.00 0.00 O +HETATM21030 H1 T4P E1661 -29.974 9.707 40.097 1.00 0.00 H +HETATM21031 H2 T4P E1661 -29.108 10.469 41.078 1.00 0.00 H +HETATM21032 O T4P E1662 27.176 -18.884 -29.173 1.00 0.00 O +HETATM21033 H1 T4P E1662 27.151 -19.394 -28.363 1.00 0.00 H +HETATM21034 H2 T4P E1662 27.269 -17.977 -28.882 1.00 0.00 H +HETATM21035 O T4P E1663 -34.130 24.950 43.604 1.00 0.00 O +HETATM21036 H1 T4P E1663 -34.426 25.069 44.506 1.00 0.00 H 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0.00 H +HETATM21571 H2 T4P E1841 -11.830 15.688 -41.555 1.00 0.00 H +HETATM21572 O T4P E1842 -25.424 9.979 -44.247 1.00 0.00 O +HETATM21573 H1 T4P E1842 -25.423 10.057 -43.293 1.00 0.00 H +HETATM21574 H2 T4P E1842 -26.085 10.607 -44.538 1.00 0.00 H +HETATM21575 O T4P E1843 -27.277 13.755 -32.685 1.00 0.00 O +HETATM21576 H1 T4P E1843 -27.842 13.841 -31.916 1.00 0.00 H +HETATM21577 H2 T4P E1843 -27.870 13.496 -33.390 1.00 0.00 H +HETATM21578 O T4P E1844 33.842 2.558 -24.238 1.00 0.00 O +HETATM21579 H1 T4P E1844 34.544 3.204 -24.304 1.00 0.00 H +HETATM21580 H2 T4P E1844 34.165 1.801 -24.727 1.00 0.00 H +HETATM21581 O T4P E1845 -31.969 0.603 -19.896 1.00 0.00 O +HETATM21582 H1 T4P E1845 -32.323 1.027 -19.114 1.00 0.00 H +HETATM21583 H2 T4P E1845 -31.474 -0.144 -19.560 1.00 0.00 H +HETATM21584 O T4P E1846 -26.992 -5.154 -41.850 1.00 0.00 O +HETATM21585 H1 T4P E1846 -26.990 -6.034 -42.226 1.00 0.00 H +HETATM21586 H2 T4P E1846 -26.940 -4.569 -42.606 1.00 0.00 H +HETATM21587 O T4P E1847 33.146 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E1852 -13.195 -3.005 -28.283 1.00 0.00 H +HETATM21605 O T4P E1853 5.248 -24.388 -26.565 1.00 0.00 O +HETATM21606 H1 T4P E1853 4.429 -24.877 -26.489 1.00 0.00 H +HETATM21607 H2 T4P E1853 4.978 -23.505 -26.819 1.00 0.00 H +HETATM21608 O T4P E1854 30.448 -6.912 -44.528 1.00 0.00 O +HETATM21609 H1 T4P E1854 30.999 -7.472 -43.982 1.00 0.00 H +HETATM21610 H2 T4P E1854 29.718 -6.666 -43.960 1.00 0.00 H +HETATM21611 O T4P E1855 33.942 24.420 29.661 1.00 0.00 O +HETATM21612 H1 T4P E1855 34.098 24.486 28.719 1.00 0.00 H +HETATM21613 H2 T4P E1855 34.617 24.973 30.055 1.00 0.00 H +HETATM21614 O T4P E1856 32.165 10.086 24.104 1.00 0.00 O +HETATM21615 H1 T4P E1856 32.753 10.165 24.855 1.00 0.00 H +HETATM21616 H2 T4P E1856 31.394 10.597 24.349 1.00 0.00 H +HETATM21617 O T4P E1857 31.192 22.668 -32.934 1.00 0.00 O +HETATM21618 H1 T4P E1857 31.678 22.737 -33.756 1.00 0.00 H +HETATM21619 H2 T4P E1857 30.771 23.522 -32.831 1.00 0.00 H +HETATM21620 O T4P E1858 1.947 24.006 -44.807 1.00 0.00 O +HETATM21621 H1 T4P E1858 1.020 23.804 -44.940 1.00 0.00 H +HETATM21622 H2 T4P E1858 2.256 23.329 -44.206 1.00 0.00 H +HETATM21623 O T4P E1859 -30.884 -25.956 36.773 1.00 0.00 O +HETATM21624 H1 T4P E1859 -30.085 -25.600 36.385 1.00 0.00 H +HETATM21625 H2 T4P E1859 -30.808 -25.754 37.706 1.00 0.00 H +HETATM21626 O T4P E1860 26.413 28.396 18.514 1.00 0.00 O +HETATM21627 H1 T4P E1860 27.037 28.974 18.075 1.00 0.00 H +HETATM21628 H2 T4P E1860 25.687 28.313 17.896 1.00 0.00 H +HETATM21629 O T4P E1861 -28.886 14.572 30.452 1.00 0.00 O +HETATM21630 H1 T4P E1861 -28.360 13.982 29.912 1.00 0.00 H +HETATM21631 H2 T4P E1861 -28.951 15.375 29.936 1.00 0.00 H +HETATM21632 O T4P E1862 17.131 14.688 32.760 1.00 0.00 O +HETATM21633 H1 T4P E1862 17.752 14.353 32.114 1.00 0.00 H +HETATM21634 H2 T4P E1862 16.423 14.044 32.770 1.00 0.00 H +HETATM21635 O T4P E1863 -21.902 29.214 44.728 1.00 0.00 O +HETATM21636 H1 T4P E1863 -21.298 29.854 45.106 1.00 0.00 H +HETATM21637 H2 T4P E1863 -21.338 28.505 44.419 1.00 0.00 H 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22.456 1.00 0.00 H +HETATM21655 H2 T4P E1869 18.510 9.792 23.459 1.00 0.00 H +HETATM21656 O T4P E1870 -29.600 18.333 39.160 1.00 0.00 O +HETATM21657 H1 T4P E1870 -30.305 17.809 38.781 1.00 0.00 H +HETATM21658 H2 T4P E1870 -30.007 19.176 39.359 1.00 0.00 H +HETATM21659 O T4P E1871 29.018 10.926 -40.441 1.00 0.00 O +HETATM21660 H1 T4P E1871 29.618 11.629 -40.691 1.00 0.00 H +HETATM21661 H2 T4P E1871 28.883 11.049 -39.501 1.00 0.00 H +HETATM21662 O T4P E1872 29.126 5.618 37.601 1.00 0.00 O +HETATM21663 H1 T4P E1872 29.053 5.294 36.703 1.00 0.00 H +HETATM21664 H2 T4P E1872 28.548 6.381 37.629 1.00 0.00 H +HETATM21665 O T4P E1873 -27.385 16.845 44.411 1.00 0.00 O +HETATM21666 H1 T4P E1873 -26.572 16.812 43.907 1.00 0.00 H +HETATM21667 H2 T4P E1873 -27.331 16.096 45.004 1.00 0.00 H +HETATM21668 O T4P E1874 -9.589 26.350 -33.423 1.00 0.00 O +HETATM21669 H1 T4P E1874 -10.226 25.695 -33.138 1.00 0.00 H +HETATM21670 H2 T4P E1874 -8.842 26.230 -32.837 1.00 0.00 H +HETATM21671 O T4P E1875 -16.985 5.438 34.611 1.00 0.00 O +HETATM21672 H1 T4P E1875 -16.437 6.104 35.026 1.00 0.00 H +HETATM21673 H2 T4P E1875 -16.878 4.662 35.161 1.00 0.00 H +HETATM21674 O T4P E1876 -27.087 -0.187 -42.112 1.00 0.00 O +HETATM21675 H1 T4P E1876 -27.887 0.245 -42.411 1.00 0.00 H +HETATM21676 H2 T4P E1876 -26.657 -0.479 -42.916 1.00 0.00 H +HETATM21677 O T4P E1877 -26.449 0.140 24.111 1.00 0.00 O +HETATM21678 H1 T4P E1877 -27.233 -0.318 24.412 1.00 0.00 H +HETATM21679 H2 T4P E1877 -26.635 0.362 23.199 1.00 0.00 H +HETATM21680 O T4P E1878 -33.491 28.178 40.710 1.00 0.00 O +HETATM21681 H1 T4P E1878 -34.308 28.559 41.033 1.00 0.00 H +HETATM21682 H2 T4P E1878 -33.506 28.341 39.767 1.00 0.00 H +HETATM21683 O T4P E1879 19.234 26.567 -33.457 1.00 0.00 O +HETATM21684 H1 T4P E1879 19.995 27.052 -33.140 1.00 0.00 H +HETATM21685 H2 T4P E1879 19.355 26.523 -34.406 1.00 0.00 H +HETATM21686 O T4P E1880 -31.858 -24.102 -35.769 1.00 0.00 O +HETATM21687 H1 T4P E1880 -32.356 -23.366 -36.125 1.00 0.00 H +HETATM21688 H2 T4P E1880 -31.757 -23.895 -34.840 1.00 0.00 H +HETATM21689 O T4P E1881 -15.050 26.673 -20.192 1.00 0.00 O +HETATM21690 H1 T4P E1881 -15.769 26.050 -20.298 1.00 0.00 H +HETATM21691 H2 T4P E1881 -14.517 26.562 -20.979 1.00 0.00 H +HETATM21692 O T4P E1882 -17.421 -21.355 45.401 1.00 0.00 O +HETATM21693 H1 T4P E1882 -18.366 -21.204 45.408 1.00 0.00 H +HETATM21694 H2 T4P E1882 -17.292 -22.095 45.996 1.00 0.00 H +HETATM21695 O T4P E1883 -30.718 -20.849 44.938 1.00 0.00 O +HETATM21696 H1 T4P E1883 -31.349 -20.431 45.524 1.00 0.00 H +HETATM21697 H2 T4P E1883 -29.931 -20.959 45.472 1.00 0.00 H +HETATM21698 O T4P E1884 -22.656 -24.950 -46.101 1.00 0.00 O +HETATM21699 H1 T4P E1884 -22.364 -24.040 -46.140 1.00 0.00 H +HETATM21700 H2 T4P E1884 -22.259 -25.295 -45.301 1.00 0.00 H +HETATM21701 O T4P E1885 -33.818 18.066 20.605 1.00 0.00 O +HETATM21702 H1 T4P E1885 -34.725 18.346 20.483 1.00 0.00 H +HETATM21703 H2 T4P E1885 -33.823 17.589 21.435 1.00 0.00 H +HETATM21704 O T4P E1886 -18.140 16.574 26.580 1.00 0.00 O +HETATM21705 H1 T4P E1886 -18.267 17.481 26.859 1.00 0.00 H +HETATM21706 H2 T4P E1886 -17.215 16.398 26.747 1.00 0.00 H +HETATM21707 O T4P E1887 16.141 -26.906 -40.832 1.00 0.00 O +HETATM21708 H1 T4P E1887 15.729 -27.081 -39.986 1.00 0.00 H +HETATM21709 H2 T4P E1887 16.720 -27.655 -40.976 1.00 0.00 H +HETATM21710 O T4P E1888 -29.147 11.309 -40.091 1.00 0.00 O +HETATM21711 H1 T4P E1888 -29.291 10.755 -40.858 1.00 0.00 H +HETATM21712 H2 T4P E1888 -29.976 11.772 -39.971 1.00 0.00 H +HETATM21713 O T4P E1889 26.125 24.684 -42.131 1.00 0.00 O +HETATM21714 H1 T4P E1889 26.622 24.842 -41.329 1.00 0.00 H +HETATM21715 H2 T4P E1889 25.350 24.202 -41.843 1.00 0.00 H +HETATM21716 O T4P E1890 -30.848 -23.327 25.298 1.00 0.00 O +HETATM21717 H1 T4P E1890 -30.301 -22.577 25.063 1.00 0.00 H +HETATM21718 H2 T4P E1890 -31.683 -23.160 24.862 1.00 0.00 H +HETATM21719 O T4P E1891 -17.768 -27.674 -46.217 1.00 0.00 O +HETATM21720 H1 T4P E1891 -17.747 -28.276 -45.473 1.00 0.00 H +HETATM21721 H2 T4P E1891 -18.699 -27.544 -46.395 1.00 0.00 H +HETATM21722 O T4P E1892 -33.642 8.305 45.914 1.00 0.00 O +HETATM21723 H1 T4P E1892 -33.585 8.694 45.042 1.00 0.00 H +HETATM21724 H2 T4P E1892 -33.185 7.468 45.834 1.00 0.00 H +HETATM21725 O T4P E1893 -22.483 25.014 -42.448 1.00 0.00 O +HETATM21726 H1 T4P E1893 -22.510 25.759 -41.847 1.00 0.00 H +HETATM21727 H2 T4P E1893 -23.257 24.497 -42.225 1.00 0.00 H +HETATM21728 O T4P E1894 28.553 -24.922 -38.067 1.00 0.00 O +HETATM21729 H1 T4P E1894 28.898 -25.309 -38.872 1.00 0.00 H +HETATM21730 H2 T4P E1894 27.708 -25.351 -37.938 1.00 0.00 H +HETATM21731 O T4P E1895 -12.276 21.043 -42.002 1.00 0.00 O +HETATM21732 H1 T4P E1895 -13.063 21.063 -42.547 1.00 0.00 H +HETATM21733 H2 T4P E1895 -11.620 20.605 -42.544 1.00 0.00 H +HETATM21734 O T4P E1896 -20.327 -18.547 -25.652 1.00 0.00 O +HETATM21735 H1 T4P E1896 -19.415 -18.494 -25.939 1.00 0.00 H +HETATM21736 H2 T4P E1896 -20.291 -19.030 -24.826 1.00 0.00 H +HETATM21737 O T4P E1897 34.461 21.539 -28.256 1.00 0.00 O +HETATM21738 H1 T4P E1897 35.373 21.794 -28.396 1.00 0.00 H +HETATM21739 H2 T4P E1897 33.979 21.976 -28.957 1.00 0.00 H +HETATM21740 O T4P E1898 10.918 18.911 -30.267 1.00 0.00 O +HETATM21741 H1 T4P E1898 10.092 19.023 -29.796 1.00 0.00 H +HETATM21742 H2 T4P E1898 11.450 19.661 -30.000 1.00 0.00 H +HETATM21743 O T4P E1899 -23.349 13.451 18.796 1.00 0.00 O +HETATM21744 H1 T4P E1899 -22.595 14.010 18.985 1.00 0.00 H +HETATM21745 H2 T4P E1899 -23.192 13.129 17.909 1.00 0.00 H +HETATM21746 O T4P E1900 -32.161 8.465 -28.408 1.00 0.00 O +HETATM21747 H1 T4P E1900 -32.558 7.631 -28.658 1.00 0.00 H +HETATM21748 H2 T4P E1900 -31.377 8.531 -28.953 1.00 0.00 H +HETATM21749 O T4P E1901 -22.720 12.023 -25.220 1.00 0.00 O +HETATM21750 H1 T4P E1901 -23.314 11.415 -25.659 1.00 0.00 H +HETATM21751 H2 T4P E1901 -22.584 11.641 -24.353 1.00 0.00 H +HETATM21752 O T4P E1902 -25.794 17.472 42.375 1.00 0.00 O +HETATM21753 H1 T4P E1902 -25.321 18.304 42.411 1.00 0.00 H +HETATM21754 H2 T4P E1902 -26.474 17.612 41.716 1.00 0.00 H +HETATM21755 O T4P E1903 -22.908 -21.409 42.264 1.00 0.00 O +HETATM21756 H1 T4P E1903 -22.616 -20.880 41.522 1.00 0.00 H +HETATM21757 H2 T4P E1903 -22.992 -22.294 41.909 1.00 0.00 H +HETATM21758 O T4P E1904 33.689 12.512 -41.716 1.00 0.00 O +HETATM21759 H1 T4P E1904 33.305 12.970 -40.968 1.00 0.00 H +HETATM21760 H2 T4P E1904 33.106 12.716 -42.447 1.00 0.00 H +HETATM21761 O T4P E1905 -23.967 -20.129 -43.640 1.00 0.00 O +HETATM21762 H1 T4P E1905 -24.028 -20.620 -44.459 1.00 0.00 H +HETATM21763 H2 T4P E1905 -24.488 -20.636 -43.017 1.00 0.00 H +HETATM21764 O T4P E1906 -24.530 -4.327 -40.698 1.00 0.00 O +HETATM21765 H1 T4P E1906 -25.055 -3.607 -40.349 1.00 0.00 H +HETATM21766 H2 T4P E1906 -25.148 -5.052 -40.789 1.00 0.00 H +HETATM21767 O T4P E1907 29.811 3.011 -40.096 1.00 0.00 O +HETATM21768 H1 T4P E1907 30.049 3.888 -40.398 1.00 0.00 H +HETATM21769 H2 T4P E1907 30.627 2.646 -39.754 1.00 0.00 H +HETATM21770 O T4P E1908 -31.339 16.209 45.951 1.00 0.00 O +HETATM21771 H1 T4P E1908 -32.016 16.779 45.586 1.00 0.00 H +HETATM21772 H2 T4P E1908 -31.562 15.335 45.630 1.00 0.00 H +HETATM21773 O T4P E1909 -26.872 -3.185 23.157 1.00 0.00 O +HETATM21774 H1 T4P E1909 -27.828 -3.238 23.183 1.00 0.00 H +HETATM21775 H2 T4P E1909 -26.582 -3.726 23.891 1.00 0.00 H +HETATM21776 O T4P E1910 32.108 10.712 -27.693 1.00 0.00 O +HETATM21777 H1 T4P E1910 33.049 10.856 -27.786 1.00 0.00 H +HETATM21778 H2 T4P E1910 31.735 11.028 -28.516 1.00 0.00 H +HETATM21779 O T4P E1911 -21.250 14.031 -36.437 1.00 0.00 O +HETATM21780 H1 T4P E1911 -21.899 13.900 -35.746 1.00 0.00 H +HETATM21781 H2 T4P E1911 -21.594 14.760 -36.954 1.00 0.00 H +HETATM21782 O T4P E1912 -27.593 15.871 -42.529 1.00 0.00 O +HETATM21783 H1 T4P E1912 -27.514 16.749 -42.157 1.00 0.00 H +HETATM21784 H2 T4P E1912 -26.725 15.483 -42.417 1.00 0.00 H +HETATM21785 O T4P E1913 28.717 -7.293 -40.010 1.00 0.00 O +HETATM21786 H1 T4P E1913 27.765 -7.198 -39.989 1.00 0.00 H +HETATM21787 H2 T4P E1913 29.046 -6.396 -40.066 1.00 0.00 H +HETATM21788 O T4P E1914 -34.292 16.212 -34.691 1.00 0.00 O +HETATM21789 H1 T4P E1914 -33.697 16.385 -35.421 1.00 0.00 H +HETATM21790 H2 T4P E1914 -34.166 16.953 -34.098 1.00 0.00 H +HETATM21791 O T4P E1915 29.112 -16.455 -35.571 1.00 0.00 O +HETATM21792 H1 T4P E1915 28.613 -16.693 -34.790 1.00 0.00 H +HETATM21793 H2 T4P E1915 28.462 -16.424 -36.273 1.00 0.00 H +HETATM21794 O T4P E1916 -20.991 -6.456 -36.586 1.00 0.00 O +HETATM21795 H1 T4P E1916 -21.120 -6.976 -37.378 1.00 0.00 H +HETATM21796 H2 T4P E1916 -20.062 -6.560 -36.380 1.00 0.00 H +HETATM21797 O T4P E1917 -10.540 -25.168 -34.920 1.00 0.00 O +HETATM21798 H1 T4P E1917 -10.472 -25.752 -35.676 1.00 0.00 H +HETATM21799 H2 T4P E1917 -10.991 -24.393 -35.256 1.00 0.00 H +HETATM21800 O T4P E1918 30.381 -29.101 -26.219 1.00 0.00 O +HETATM21801 H1 T4P E1918 29.605 -29.041 -26.776 1.00 0.00 H +HETATM21802 H2 T4P E1918 30.888 -29.823 -26.592 1.00 0.00 H +HETATM21803 O T4P E1919 27.161 17.405 -43.116 1.00 0.00 O +HETATM21804 H1 T4P E1919 27.123 18.361 -43.141 1.00 0.00 H +HETATM21805 H2 T4P E1919 26.439 17.151 -42.541 1.00 0.00 H +HETATM21806 O T4P E1920 -12.898 21.342 32.109 1.00 0.00 O +HETATM21807 H1 T4P E1920 -12.901 21.527 33.048 1.00 0.00 H +HETATM21808 H2 T4P E1920 -12.213 21.909 31.755 1.00 0.00 H +HETATM21809 O T4P E1921 32.738 22.190 -30.459 1.00 0.00 O +HETATM21810 H1 T4P E1921 32.505 21.947 -31.355 1.00 0.00 H +HETATM21811 H2 T4P E1921 32.707 23.147 -30.454 1.00 0.00 H +HETATM21812 O T4P E1922 -32.490 -12.813 30.894 1.00 0.00 O +HETATM21813 H1 T4P E1922 -31.958 -12.022 30.983 1.00 0.00 H +HETATM21814 H2 T4P E1922 -32.919 -12.720 30.044 1.00 0.00 H +HETATM21815 O T4P E1923 -33.581 21.016 -37.328 1.00 0.00 O +HETATM21816 H1 T4P E1923 -33.523 20.234 -37.877 1.00 0.00 H +HETATM21817 H2 T4P E1923 -34.090 20.737 -36.567 1.00 0.00 H +HETATM21818 O T4P E1924 -27.098 25.101 41.677 1.00 0.00 O +HETATM21819 H1 T4P E1924 -26.958 24.157 41.755 1.00 0.00 H +HETATM21820 H2 T4P E1924 -27.845 25.281 42.248 1.00 0.00 H +HETATM21821 O T4P E1925 22.276 15.317 -23.767 1.00 0.00 O +HETATM21822 H1 T4P E1925 23.059 15.565 -24.259 1.00 0.00 H +HETATM21823 H2 T4P E1925 22.316 14.362 -23.718 1.00 0.00 H +HETATM21824 O T4P E1926 34.372 7.874 -41.956 1.00 0.00 O +HETATM21825 H1 T4P E1926 33.984 7.749 -42.822 1.00 0.00 H +HETATM21826 H2 T4P E1926 35.186 8.348 -42.124 1.00 0.00 H +HETATM21827 O T4P E1927 -9.960 -26.678 -36.933 1.00 0.00 O +HETATM21828 H1 T4P E1927 -10.383 -26.189 -37.638 1.00 0.00 H +HETATM21829 H2 T4P E1927 -10.616 -27.318 -36.658 1.00 0.00 H +HETATM21830 O T4P E1928 -34.702 -29.173 -41.852 1.00 0.00 O +HETATM21831 H1 T4P E1928 -34.054 -28.697 -42.372 1.00 0.00 H +HETATM21832 H2 T4P E1928 -35.153 -29.732 -42.485 1.00 0.00 H +HETATM21833 O T4P E1929 30.232 15.392 -33.512 1.00 0.00 O +HETATM21834 H1 T4P E1929 30.748 16.143 -33.220 1.00 0.00 H +HETATM21835 H2 T4P E1929 30.858 14.669 -33.547 1.00 0.00 H +HETATM21836 O T4P E1930 -22.548 10.541 -36.148 1.00 0.00 O +HETATM21837 H1 T4P E1930 -22.973 10.631 -37.001 1.00 0.00 H +HETATM21838 H2 T4P E1930 -23.084 9.901 -35.679 1.00 0.00 H +HETATM21839 O T4P E1931 -20.251 -20.287 45.428 1.00 0.00 O +HETATM21840 H1 T4P E1931 -19.935 -19.392 45.550 1.00 0.00 H +HETATM21841 H2 T4P E1931 -20.710 -20.493 46.242 1.00 0.00 H +HETATM21842 O T4P E1932 1.577 -28.184 -44.606 1.00 0.00 O +HETATM21843 H1 T4P E1932 0.837 -27.592 -44.476 1.00 0.00 H +HETATM21844 H2 T4P E1932 1.986 -27.883 -45.417 1.00 0.00 H +HETATM21845 O T4P E1933 -24.497 8.370 38.376 1.00 0.00 O +HETATM21846 H1 T4P E1933 -24.156 8.313 39.269 1.00 0.00 H +HETATM21847 H2 T4P E1933 -24.179 9.213 38.052 1.00 0.00 H +HETATM21848 O T4P E1934 -16.925 13.548 -29.442 1.00 0.00 O +HETATM21849 H1 T4P E1934 -16.321 14.144 -28.999 1.00 0.00 H +HETATM21850 H2 T4P E1934 -17.792 13.919 -29.277 1.00 0.00 H +HETATM21851 O T4P E1935 -29.482 22.178 -46.240 1.00 0.00 O +HETATM21852 H1 T4P E1935 -29.805 22.810 -45.598 1.00 0.00 H +HETATM21853 H2 T4P E1935 -29.951 22.394 -47.046 1.00 0.00 H +HETATM21854 O T4P E1936 31.798 -21.176 -42.572 1.00 0.00 O +HETATM21855 H1 T4P E1936 30.933 -21.511 -42.806 1.00 0.00 H +HETATM21856 H2 T4P E1936 31.964 -21.529 -41.697 1.00 0.00 H +HETATM21857 O T4P E1937 25.125 14.348 -42.919 1.00 0.00 O +HETATM21858 H1 T4P E1937 25.249 14.724 -43.790 1.00 0.00 H +HETATM21859 H2 T4P E1937 24.769 15.065 -42.395 1.00 0.00 H +HETATM21860 O T4P E1938 -28.025 19.564 -29.951 1.00 0.00 O +HETATM21861 H1 T4P E1938 -27.954 20.146 -29.194 1.00 0.00 H +HETATM21862 H2 T4P E1938 -28.866 19.120 -29.833 1.00 0.00 H +HETATM21863 O T4P E1939 -22.988 -0.811 -40.935 1.00 0.00 O +HETATM21864 H1 T4P E1939 -22.774 -1.066 -41.832 1.00 0.00 H +HETATM21865 H2 T4P E1939 -23.809 -1.264 -40.746 1.00 0.00 H +HETATM21866 O T4P E1940 23.226 20.009 -29.756 1.00 0.00 O +HETATM21867 H1 T4P E1940 22.535 20.611 -30.031 1.00 0.00 H +HETATM21868 H2 T4P E1940 23.050 19.850 -28.828 1.00 0.00 H +HETATM21869 O T4P E1941 -32.433 21.075 -28.966 1.00 0.00 O +HETATM21870 H1 T4P E1941 -32.892 20.411 -29.480 1.00 0.00 H +HETATM21871 H2 T4P E1941 -31.934 21.575 -29.612 1.00 0.00 H +HETATM21872 O T4P E1942 -26.780 4.797 -29.493 1.00 0.00 O +HETATM21873 H1 T4P E1942 -26.813 3.898 -29.819 1.00 0.00 H +HETATM21874 H2 T4P E1942 -27.479 5.249 -29.966 1.00 0.00 H +HETATM21875 O T4P E1943 -32.493 19.095 -27.213 1.00 0.00 O +HETATM21876 H1 T4P E1943 -32.431 18.342 -27.800 1.00 0.00 H +HETATM21877 H2 T4P E1943 -32.505 19.854 -27.796 1.00 0.00 H +HETATM21878 O T4P E1944 -27.129 21.399 -40.383 1.00 0.00 O +HETATM21879 H1 T4P E1944 -27.186 22.251 -39.951 1.00 0.00 H +HETATM21880 H2 T4P E1944 -26.194 21.195 -40.391 1.00 0.00 H +HETATM21881 O T4P E1945 17.818 -10.823 -37.805 1.00 0.00 O +HETATM21882 H1 T4P E1945 18.237 -10.218 -38.417 1.00 0.00 H +HETATM21883 H2 T4P E1945 17.070 -11.174 -38.289 1.00 0.00 H +HETATM21884 O T4P E1946 24.482 21.825 -35.821 1.00 0.00 O +HETATM21885 H1 T4P E1946 24.963 21.500 -35.060 1.00 0.00 H +HETATM21886 H2 T4P E1946 23.870 21.121 -36.037 1.00 0.00 H +HETATM21887 O T4P E1947 27.217 20.050 -43.820 1.00 0.00 O +HETATM21888 H1 T4P E1947 27.256 20.959 -44.117 1.00 0.00 H +HETATM21889 H2 T4P E1947 27.176 19.535 -44.626 1.00 0.00 H +HETATM21890 O T4P E1948 29.293 6.186 -41.229 1.00 0.00 O +HETATM21891 H1 T4P E1948 28.698 6.171 -40.480 1.00 0.00 H +HETATM21892 H2 T4P E1948 30.113 6.533 -40.878 1.00 0.00 H +HETATM21893 O T4P E1949 -21.195 9.812 -44.333 1.00 0.00 O +HETATM21894 H1 T4P E1949 -21.815 9.596 -45.029 1.00 0.00 H +HETATM21895 H2 T4P E1949 -21.674 9.639 -43.522 1.00 0.00 H +HETATM21896 O T4P E1950 -33.582 19.004 27.104 1.00 0.00 O +HETATM21897 H1 T4P E1950 -32.656 18.764 27.144 1.00 0.00 H +HETATM21898 H2 T4P E1950 -33.613 19.897 27.448 1.00 0.00 H +HETATM21899 O T4P E1951 -29.296 -14.639 -44.909 1.00 0.00 O +HETATM21900 H1 T4P E1951 -28.547 -14.943 -45.421 1.00 0.00 H +HETATM21901 H2 T4P E1951 -28.932 -13.980 -44.319 1.00 0.00 H +HETATM21902 O T4P E1952 -33.398 14.220 -37.521 1.00 0.00 O +HETATM21903 H1 T4P E1952 -33.763 14.817 -38.175 1.00 0.00 H +HETATM21904 H2 T4P E1952 -34.152 13.727 -37.198 1.00 0.00 H +HETATM21905 O T4P E1953 27.245 3.097 -29.949 1.00 0.00 O +HETATM21906 H1 T4P E1953 26.843 3.449 -29.155 1.00 0.00 H +HETATM21907 H2 T4P E1953 27.672 3.850 -30.357 1.00 0.00 H +HETATM21908 O T4P E1954 -31.658 -17.372 35.076 1.00 0.00 O +HETATM21909 H1 T4P E1954 -30.971 -16.732 34.890 1.00 0.00 H +HETATM21910 H2 T4P E1954 -32.002 -17.113 35.931 1.00 0.00 H +HETATM21911 O T4P E1955 -27.133 18.931 -41.960 1.00 0.00 O +HETATM21912 H1 T4P E1955 -27.594 18.673 -41.161 1.00 0.00 H +HETATM21913 H2 T4P E1955 -27.089 19.886 -41.913 1.00 0.00 H +HETATM21914 O T4P E1956 -23.052 20.305 45.015 1.00 0.00 O +HETATM21915 H1 T4P E1956 -23.446 19.912 45.794 1.00 0.00 H +HETATM21916 H2 T4P E1956 -23.767 20.349 44.380 1.00 0.00 H +HETATM21917 O T4P E1957 -16.510 25.948 23.414 1.00 0.00 O +HETATM21918 H1 T4P E1957 -17.028 26.752 23.433 1.00 0.00 H +HETATM21919 H2 T4P E1957 -16.810 25.487 22.631 1.00 0.00 H +HETATM21920 O T4P E1958 32.985 10.872 45.958 1.00 0.00 O +HETATM21921 H1 T4P E1958 32.688 10.402 46.737 1.00 0.00 H +HETATM21922 H2 T4P E1958 33.779 11.327 46.240 1.00 0.00 H +HETATM21923 O T4P E1959 -23.535 -11.664 25.446 1.00 0.00 O +HETATM21924 H1 T4P E1959 -23.384 -10.847 25.921 1.00 0.00 H +HETATM21925 H2 T4P E1959 -23.431 -11.429 24.524 1.00 0.00 H +HETATM21926 O T4P E1960 -26.131 13.442 45.475 1.00 0.00 O +HETATM21927 H1 T4P E1960 -26.273 13.331 44.535 1.00 0.00 H +HETATM21928 H2 T4P E1960 -25.197 13.272 45.599 1.00 0.00 H +HETATM21929 O T4P E1961 -26.056 19.615 -38.322 1.00 0.00 O +HETATM21930 H1 T4P E1961 -25.268 19.339 -38.789 1.00 0.00 H +HETATM21931 H2 T4P E1961 -26.537 20.149 -38.954 1.00 0.00 H +HETATM21932 O T4P E1962 -17.897 21.720 -32.007 1.00 0.00 O +HETATM21933 H1 T4P E1962 -17.980 21.227 -31.191 1.00 0.00 H +HETATM21934 H2 T4P E1962 -18.692 22.252 -32.048 1.00 0.00 H +HETATM21935 O T4P E1963 -25.316 -18.577 -17.624 1.00 0.00 O +HETATM21936 H1 T4P E1963 -26.171 -18.472 -17.207 1.00 0.00 H +HETATM21937 H2 T4P E1963 -24.732 -18.833 -16.910 1.00 0.00 H +HETATM21938 O T4P E1964 -31.790 -22.980 -41.097 1.00 0.00 O +HETATM21939 H1 T4P E1964 -32.384 -23.536 -41.600 1.00 0.00 H +HETATM21940 H2 T4P E1964 -32.155 -22.100 -41.181 1.00 0.00 H +HETATM21941 O T4P E1965 30.775 7.423 -22.112 1.00 0.00 O +HETATM21942 H1 T4P E1965 31.163 8.161 -22.581 1.00 0.00 H +HETATM21943 H2 T4P E1965 31.248 6.657 -22.436 1.00 0.00 H +HETATM21944 O T4P E1966 -22.338 -29.164 -45.020 1.00 0.00 O +HETATM21945 H1 T4P E1966 -22.189 -28.761 -44.165 1.00 0.00 H +HETATM21946 H2 T4P E1966 -22.968 -28.587 -45.451 1.00 0.00 H +HETATM21947 O T4P E1967 3.957 10.522 -37.174 1.00 0.00 O +HETATM21948 H1 T4P E1967 3.545 10.821 -37.985 1.00 0.00 H +HETATM21949 H2 T4P E1967 4.866 10.347 -37.418 1.00 0.00 H +HETATM21950 O T4P E1968 -23.792 -22.182 19.442 1.00 0.00 O +HETATM21951 H1 T4P E1968 -22.893 -22.076 19.132 1.00 0.00 H +HETATM21952 H2 T4P E1968 -24.229 -22.673 18.746 1.00 0.00 H +HETATM21953 O T4P E1969 -16.199 -20.800 -38.322 1.00 0.00 O +HETATM21954 H1 T4P E1969 -16.668 -20.605 -39.133 1.00 0.00 H +HETATM21955 H2 T4P E1969 -16.083 -19.948 -37.901 1.00 0.00 H +HETATM21956 O T4P E1970 8.290 -2.719 -39.168 1.00 0.00 O +HETATM21957 H1 T4P E1970 7.937 -3.528 -38.797 1.00 0.00 H +HETATM21958 H2 T4P E1970 9.236 -2.862 -39.199 1.00 0.00 H +HETATM21959 O T4P E1971 29.136 -22.425 -27.325 1.00 0.00 O +HETATM21960 H1 T4P E1971 29.984 -22.010 -27.485 1.00 0.00 H +HETATM21961 H2 T4P E1971 28.496 -21.729 -27.476 1.00 0.00 H +HETATM21962 O T4P E1972 -31.323 -21.802 -32.194 1.00 0.00 O +HETATM21963 H1 T4P E1972 -31.327 -21.166 -32.910 1.00 0.00 H +HETATM21964 H2 T4P E1972 -31.271 -22.653 -32.630 1.00 0.00 H +HETATM21965 O T4P E1973 28.278 22.562 -34.950 1.00 0.00 O +HETATM21966 H1 T4P E1973 28.154 21.621 -34.833 1.00 0.00 H +HETATM21967 H2 T4P E1973 29.196 22.713 -34.724 1.00 0.00 H +HETATM21968 O T4P E1974 -27.386 -27.184 -39.376 1.00 0.00 O +HETATM21969 H1 T4P E1974 -28.318 -26.972 -39.336 1.00 0.00 H +HETATM21970 H2 T4P E1974 -27.359 -28.139 -39.431 1.00 0.00 H +HETATM21971 O T4P E1975 -24.658 -13.975 -44.410 1.00 0.00 O +HETATM21972 H1 T4P E1975 -24.306 -13.990 -43.520 1.00 0.00 H +HETATM21973 H2 T4P E1975 -25.182 -13.175 -44.448 1.00 0.00 H +HETATM21974 O T4P E1976 27.246 -22.947 -39.813 1.00 0.00 O +HETATM21975 H1 T4P E1976 27.106 -23.487 -40.591 1.00 0.00 H +HETATM21976 H2 T4P E1976 27.943 -22.342 -40.063 1.00 0.00 H +HETATM21977 O T4P E1977 -32.717 -19.102 46.389 1.00 0.00 O +HETATM21978 H1 T4P E1977 -32.110 -18.395 46.172 1.00 0.00 H +HETATM21979 H2 T4P E1977 -33.218 -19.244 45.586 1.00 0.00 H +HETATM21980 O T4P E1978 33.367 16.464 -32.136 1.00 0.00 O +HETATM21981 H1 T4P E1978 32.778 17.208 -32.258 1.00 0.00 H +HETATM21982 H2 T4P E1978 34.242 16.825 -32.284 1.00 0.00 H +HETATM21983 O T4P E1979 29.323 -11.106 43.907 1.00 0.00 O +HETATM21984 H1 T4P E1979 28.956 -11.774 43.328 1.00 0.00 H +HETATM21985 H2 T4P E1979 29.560 -11.583 44.703 1.00 0.00 H +HETATM21986 O T4P E1980 -31.785 -24.191 -33.161 1.00 0.00 O +HETATM21987 H1 T4P E1980 -31.461 -25.085 -33.267 1.00 0.00 H +HETATM21988 H2 T4P E1980 -32.708 -24.295 -32.928 1.00 0.00 H +HETATM21989 O T4P E1981 23.244 -21.047 23.029 1.00 0.00 O +HETATM21990 H1 T4P E1981 22.344 -21.081 23.354 1.00 0.00 H +HETATM21991 H2 T4P E1981 23.193 -21.414 22.146 1.00 0.00 H +HETATM21992 O T4P E1982 -10.906 -19.778 -38.679 1.00 0.00 O +HETATM21993 H1 T4P E1982 -10.206 -19.134 -38.568 1.00 0.00 H +HETATM21994 H2 T4P E1982 -10.974 -19.897 -39.627 1.00 0.00 H +HETATM21995 O T4P E1983 -33.645 -8.646 45.070 1.00 0.00 O +HETATM21996 H1 T4P E1983 -34.109 -7.903 44.684 1.00 0.00 H +HETATM21997 H2 T4P E1983 -34.099 -8.810 45.896 1.00 0.00 H +HETATM21998 O T4P E1984 -24.348 28.547 45.749 1.00 0.00 O +HETATM21999 H1 T4P E1984 -24.805 29.313 46.096 1.00 0.00 H +HETATM22000 H2 T4P E1984 -23.441 28.835 45.645 1.00 0.00 H +HETATM22001 O T4P E1985 -12.942 -25.059 41.305 1.00 0.00 O +HETATM22002 H1 T4P E1985 -12.781 -24.726 40.422 1.00 0.00 H +HETATM22003 H2 T4P E1985 -12.184 -24.769 41.813 1.00 0.00 H +HETATM22004 O T4P E1986 -30.755 -12.735 -39.934 1.00 0.00 O +HETATM22005 H1 T4P E1986 -29.972 -12.920 -39.415 1.00 0.00 H +HETATM22006 H2 T4P E1986 -31.230 -12.077 -39.426 1.00 0.00 H +HETATM22007 O T4P E1987 32.781 -6.908 -41.049 1.00 0.00 O +HETATM22008 H1 T4P E1987 32.503 -7.470 -40.326 1.00 0.00 H +HETATM22009 H2 T4P E1987 32.270 -6.106 -40.940 1.00 0.00 H +HETATM22010 O T4P E1988 -31.775 -17.083 40.623 1.00 0.00 O +HETATM22011 H1 T4P E1988 -30.938 -17.450 40.906 1.00 0.00 H +HETATM22012 H2 T4P E1988 -32.433 -17.650 41.025 1.00 0.00 H +HETATM22013 O T4P E1989 -14.719 -25.130 -37.021 1.00 0.00 O +HETATM22014 H1 T4P E1989 -13.937 -25.680 -36.971 1.00 0.00 H +HETATM22015 H2 T4P E1989 -15.313 -25.609 -37.598 1.00 0.00 H +HETATM22016 O T4P E1990 -28.931 -21.841 36.397 1.00 0.00 O +HETATM22017 H1 T4P E1990 -29.767 -22.294 36.504 1.00 0.00 H +HETATM22018 H2 T4P E1990 -29.173 -20.940 36.181 1.00 0.00 H +HETATM22019 O T4P E1991 -30.735 -22.331 40.875 1.00 0.00 O +HETATM22020 H1 T4P E1991 -30.580 -21.450 41.216 1.00 0.00 H +HETATM22021 H2 T4P E1991 -30.272 -22.349 40.037 1.00 0.00 H +HETATM22022 O T4P E1992 -30.620 -12.902 -35.102 1.00 0.00 O +HETATM22023 H1 T4P E1992 -30.317 -13.558 -35.730 1.00 0.00 H +HETATM22024 H2 T4P E1992 -31.291 -13.352 -34.589 1.00 0.00 H +HETATM22025 O T4P E1993 30.625 -2.145 35.050 1.00 0.00 O +HETATM22026 H1 T4P E1993 30.798 -3.069 35.232 1.00 0.00 H +HETATM22027 H2 T4P E1993 29.850 -1.939 35.573 1.00 0.00 H +HETATM22028 O T4P E1994 -28.068 -17.541 37.956 1.00 0.00 O +HETATM22029 H1 T4P E1994 -28.243 -16.631 38.195 1.00 0.00 H +HETATM22030 H2 T4P E1994 -27.267 -17.501 37.433 1.00 0.00 H +HETATM22031 O T4P E1995 25.742 -13.613 32.194 1.00 0.00 O +HETATM22032 H1 T4P E1995 26.260 -14.157 31.602 1.00 0.00 H +HETATM22033 H2 T4P E1995 25.655 -14.138 32.989 1.00 0.00 H +HETATM22034 O T4P E1996 -29.760 -13.069 42.240 1.00 0.00 O +HETATM22035 H1 T4P E1996 -29.818 -12.816 43.161 1.00 0.00 H +HETATM22036 H2 T4P E1996 -30.275 -13.873 42.178 1.00 0.00 H +HETATM22037 O T4P E1997 -15.225 -26.257 -31.421 1.00 0.00 O +HETATM22038 H1 T4P E1997 -15.578 -25.444 -31.060 1.00 0.00 H +HETATM22039 H2 T4P E1997 -15.881 -26.920 -31.205 1.00 0.00 H +HETATM22040 O T4P E1998 -24.086 -11.696 -24.909 1.00 0.00 O +HETATM22041 H1 T4P E1998 -23.879 -12.308 -25.615 1.00 0.00 H +HETATM22042 H2 T4P E1998 -23.463 -10.979 -25.022 1.00 0.00 H +HETATM22043 O T4P E1999 -15.814 -8.028 -27.309 1.00 0.00 O +HETATM22044 H1 T4P E1999 -15.998 -8.755 -26.715 1.00 0.00 H +HETATM22045 H2 T4P E1999 -15.528 -7.316 -26.736 1.00 0.00 H +HETATM22046 O T4P E2000 -27.642 -17.542 33.299 1.00 0.00 O +HETATM22047 H1 T4P E2000 -27.630 -16.588 33.214 1.00 0.00 H +HETATM22048 H2 T4P E2000 -26.781 -17.822 32.987 1.00 0.00 H +HETATM22049 O T4P E2001 -21.178 -22.298 -45.012 1.00 0.00 O +HETATM22050 H1 T4P E2001 -21.857 -22.370 -44.340 1.00 0.00 H +HETATM22051 H2 T4P E2001 -20.417 -21.951 -44.547 1.00 0.00 H +HETATM22052 O T4P E2002 -24.421 19.137 31.038 1.00 0.00 O +HETATM22053 H1 T4P E2002 -23.612 19.340 30.569 1.00 0.00 H +HETATM22054 H2 T4P E2002 -24.446 18.180 31.069 1.00 0.00 H +HETATM22055 O T4P E2003 -17.909 -10.839 28.124 1.00 0.00 O +HETATM22056 H1 T4P E2003 -18.600 -10.226 28.377 1.00 0.00 H +HETATM22057 H2 T4P E2003 -17.577 -11.181 28.954 1.00 0.00 H +HETATM22058 O T4P E2004 20.755 -5.276 35.067 1.00 0.00 O +HETATM22059 H1 T4P E2004 20.019 -5.439 35.657 1.00 0.00 H +HETATM22060 H2 T4P E2004 21.372 -5.985 35.250 1.00 0.00 H +HETATM22061 O T4P E2005 -14.479 -18.329 44.290 1.00 0.00 O +HETATM22062 H1 T4P E2005 -15.246 -18.454 44.848 1.00 0.00 H +HETATM22063 H2 T4P E2005 -13.738 -18.589 44.839 1.00 0.00 H +HETATM22064 O T4P E2006 -17.558 18.521 45.764 1.00 0.00 O +HETATM22065 H1 T4P E2006 -17.835 19.251 45.209 1.00 0.00 H +HETATM22066 H2 T4P E2006 -17.958 17.750 45.362 1.00 0.00 H +HETATM22067 O T4P E2007 -26.453 -18.440 35.757 1.00 0.00 O +HETATM22068 H1 T4P E2007 -26.288 -17.782 35.082 1.00 0.00 H +HETATM22069 H2 T4P E2007 -26.897 -19.152 35.295 1.00 0.00 H +HETATM22070 O T4P E2008 -8.858 19.216 37.343 1.00 0.00 O +HETATM22071 H1 T4P E2008 -9.223 19.957 37.827 1.00 0.00 H +HETATM22072 H2 T4P E2008 -8.313 18.757 37.983 1.00 0.00 H +HETATM22073 O T4P E2009 34.469 -22.658 -17.310 1.00 0.00 O +HETATM22074 H1 T4P E2009 35.101 -23.360 -17.156 1.00 0.00 H +HETATM22075 H2 T4P E2009 34.060 -22.882 -18.145 1.00 0.00 H +HETATM22076 O T4P E2010 -26.208 -10.851 37.006 1.00 0.00 O +HETATM22077 H1 T4P E2010 -26.975 -10.479 36.571 1.00 0.00 H +HETATM22078 H2 T4P E2010 -26.567 -11.486 37.626 1.00 0.00 H +HETATM22079 O T4P E2011 -31.712 -10.082 44.122 1.00 0.00 O +HETATM22080 H1 T4P E2011 -32.333 -9.401 44.381 1.00 0.00 H +HETATM22081 H2 T4P E2011 -32.047 -10.880 44.531 1.00 0.00 H +HETATM22082 O T4P E2012 20.470 24.296 -41.234 1.00 0.00 O +HETATM22083 H1 T4P E2012 20.018 23.863 -41.959 1.00 0.00 H +HETATM22084 H2 T4P E2012 20.158 23.841 -40.452 1.00 0.00 H +HETATM22085 O T4P E2013 -33.680 -20.304 43.735 1.00 0.00 O +HETATM22086 H1 T4P E2013 -33.584 -21.182 44.104 1.00 0.00 H +HETATM22087 H2 T4P E2013 -34.595 -20.075 43.897 1.00 0.00 H +HETATM22088 O T4P E2014 -9.238 26.348 -35.908 1.00 0.00 O +HETATM22089 H1 T4P E2014 -9.194 26.389 -34.953 1.00 0.00 H +HETATM22090 H2 T4P E2014 -10.167 26.221 -36.101 1.00 0.00 H +HETATM22091 O T4P E2015 -33.067 12.744 -42.232 1.00 0.00 O +HETATM22092 H1 T4P E2015 -32.878 13.108 -43.096 1.00 0.00 H +HETATM22093 H2 T4P E2015 -34.022 12.690 -42.198 1.00 0.00 H +HETATM22094 O T4P E2016 -23.411 1.418 -29.078 1.00 0.00 O +HETATM22095 H1 T4P E2016 -23.867 2.224 -28.839 1.00 0.00 H +HETATM22096 H2 T4P E2016 -23.622 0.804 -28.375 1.00 0.00 H +HETATM22097 O T4P E2017 -33.370 -5.890 -27.582 1.00 0.00 O +HETATM22098 H1 T4P E2017 -34.258 -6.156 -27.343 1.00 0.00 H +HETATM22099 H2 T4P E2017 -33.175 -5.155 -27.001 1.00 0.00 H +HETATM22100 O T4P E2018 -20.347 -20.415 -37.954 1.00 0.00 O +HETATM22101 H1 T4P E2018 -19.607 -19.941 -38.333 1.00 0.00 H +HETATM22102 H2 T4P E2018 -20.185 -21.332 -38.176 1.00 0.00 H +HETATM22103 O T4P E2019 -28.140 -27.493 -34.366 1.00 0.00 O +HETATM22104 H1 T4P E2019 -27.415 -26.886 -34.215 1.00 0.00 H +HETATM22105 H2 T4P E2019 -28.771 -26.990 -34.880 1.00 0.00 H +HETATM22106 O T4P E2020 -34.029 -7.349 -24.764 1.00 0.00 O +HETATM22107 H1 T4P E2020 -33.955 -6.418 -24.972 1.00 0.00 H +HETATM22108 H2 T4P E2020 -33.694 -7.423 -23.871 1.00 0.00 H +HETATM22109 O T4P E2021 -19.445 -9.117 -31.361 1.00 0.00 O +HETATM22110 H1 T4P E2021 -18.653 -8.928 -30.857 1.00 0.00 H +HETATM22111 H2 T4P E2021 -19.252 -8.792 -32.241 1.00 0.00 H +HETATM22112 O T4P E2022 -29.767 -1.969 34.402 1.00 0.00 O +HETATM22113 H1 T4P E2022 -29.760 -2.723 34.991 1.00 0.00 H +HETATM22114 H2 T4P E2022 -28.987 -1.469 34.643 1.00 0.00 H +HETATM22115 O T4P E2023 6.834 -4.793 -32.790 1.00 0.00 O +HETATM22116 H1 T4P E2023 6.721 -4.298 -33.602 1.00 0.00 H +HETATM22117 H2 T4P E2023 6.777 -4.134 -32.098 1.00 0.00 H +HETATM22118 O T4P E2024 -15.681 -8.045 34.594 1.00 0.00 O +HETATM22119 H1 T4P E2024 -16.539 -7.623 34.545 1.00 0.00 H +HETATM22120 H2 T4P E2024 -15.119 -7.514 34.029 1.00 0.00 H +HETATM22121 O T4P E2025 -18.819 -15.699 -22.895 1.00 0.00 O +HETATM22122 H1 T4P E2025 -19.618 -16.224 -22.853 1.00 0.00 H +HETATM22123 H2 T4P E2025 -18.127 -16.292 -22.601 1.00 0.00 H +HETATM22124 O T4P E2026 28.096 11.730 -34.065 1.00 0.00 O +HETATM22125 H1 T4P E2026 27.815 10.826 -34.203 1.00 0.00 H +HETATM22126 H2 T4P E2026 27.693 12.220 -34.781 1.00 0.00 H +HETATM22127 O T4P E2027 -20.521 -7.808 -39.847 1.00 0.00 O +HETATM22128 H1 T4P E2027 -19.639 -7.715 -39.487 1.00 0.00 H +HETATM22129 H2 T4P E2027 -20.811 -8.672 -39.553 1.00 0.00 H +HETATM22130 O T4P E2028 17.534 18.035 36.313 1.00 0.00 O +HETATM22131 H1 T4P E2028 17.635 17.086 36.230 1.00 0.00 H +HETATM22132 H2 T4P E2028 17.994 18.392 35.554 1.00 0.00 H +HETATM22133 O T4P E2029 -29.483 15.794 37.589 1.00 0.00 O +HETATM22134 H1 T4P E2029 -30.342 16.152 37.364 1.00 0.00 H +HETATM22135 H2 T4P E2029 -29.195 15.344 36.794 1.00 0.00 H +HETATM22136 O T4P E2030 -22.180 -19.431 40.495 1.00 0.00 O +HETATM22137 H1 T4P E2030 -21.724 -18.792 41.042 1.00 0.00 H +HETATM22138 H2 T4P E2030 -21.510 -19.750 39.889 1.00 0.00 H +HETATM22139 O T4P E2031 -23.937 -23.469 -39.212 1.00 0.00 O +HETATM22140 H1 T4P E2031 -23.971 -24.383 -39.494 1.00 0.00 H +HETATM22141 H2 T4P E2031 -24.287 -22.976 -39.954 1.00 0.00 H +HETATM22142 O T4P E2032 -31.516 -22.634 35.579 1.00 0.00 O +HETATM22143 H1 T4P E2032 -31.700 -21.726 35.341 1.00 0.00 H +HETATM22144 H2 T4P E2032 -30.864 -22.923 34.941 1.00 0.00 H +HETATM22145 O T4P E2033 -8.688 -18.139 -38.151 1.00 0.00 O +HETATM22146 H1 T4P E2033 -8.108 -17.600 -38.689 1.00 0.00 H +HETATM22147 H2 T4P E2033 -8.105 -18.768 -37.725 1.00 0.00 H +HETATM22148 O T4P E2034 -30.556 5.412 34.506 1.00 0.00 O +HETATM22149 H1 T4P E2034 -30.198 6.266 34.749 1.00 0.00 H +HETATM22150 H2 T4P E2034 -30.857 5.525 33.605 1.00 0.00 H 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-28.920 -39.725 1.00 0.00 H +HETATM22168 H2 T4P E2040 -18.662 -28.132 -40.697 1.00 0.00 H +HETATM22169 O T4P E2041 -20.364 -27.727 45.233 1.00 0.00 O +HETATM22170 H1 T4P E2041 -21.157 -27.333 45.597 1.00 0.00 H +HETATM22171 H2 T4P E2041 -20.172 -27.205 44.455 1.00 0.00 H +HETATM22172 O T4P E2042 33.194 -27.809 -26.477 1.00 0.00 O +HETATM22173 H1 T4P E2042 33.087 -28.355 -25.698 1.00 0.00 H +HETATM22174 H2 T4P E2042 33.647 -28.372 -27.104 1.00 0.00 H +HETATM22175 O T4P E2043 34.360 6.393 40.348 1.00 0.00 O +HETATM22176 H1 T4P E2043 34.825 7.187 40.084 1.00 0.00 H +HETATM22177 H2 T4P E2043 35.023 5.861 40.788 1.00 0.00 H +HETATM22178 O T4P E2044 29.005 -12.825 -35.120 1.00 0.00 O +HETATM22179 H1 T4P E2044 28.587 -12.244 -34.484 1.00 0.00 H +HETATM22180 H2 T4P E2044 28.614 -13.683 -34.956 1.00 0.00 H +HETATM22181 O T4P E2045 28.955 16.748 34.648 1.00 0.00 O +HETATM22182 H1 T4P E2045 29.115 16.502 33.737 1.00 0.00 H +HETATM22183 H2 T4P E2045 29.051 15.931 35.138 1.00 0.00 H +HETATM22184 O T4P E2046 -21.291 -20.219 29.867 1.00 0.00 O +HETATM22185 H1 T4P E2046 -22.042 -20.803 29.762 1.00 0.00 H +HETATM22186 H2 T4P E2046 -20.689 -20.701 30.434 1.00 0.00 H +HETATM22187 O T4P E2047 -27.245 -0.703 42.850 1.00 0.00 O +HETATM22188 H1 T4P E2047 -27.747 -1.279 42.274 1.00 0.00 H +HETATM22189 H2 T4P E2047 -27.865 -0.020 43.106 1.00 0.00 H +HETATM22190 O T4P E2048 31.413 -29.316 42.375 1.00 0.00 O +HETATM22191 H1 T4P E2048 30.981 -29.794 41.668 1.00 0.00 H +HETATM22192 H2 T4P E2048 31.096 -29.734 43.176 1.00 0.00 H +HETATM22193 O T4P E2049 -18.124 -6.628 -42.968 1.00 0.00 O +HETATM22194 H1 T4P E2049 -18.532 -7.426 -42.631 1.00 0.00 H +HETATM22195 H2 T4P E2049 -17.924 -6.112 -42.187 1.00 0.00 H +HETATM22196 O T4P E2050 -32.073 28.523 30.706 1.00 0.00 O +HETATM22197 H1 T4P E2050 -32.350 28.689 31.607 1.00 0.00 H +HETATM22198 H2 T4P E2050 -31.918 29.393 30.338 1.00 0.00 H +HETATM22199 O T4P E2051 32.491 8.131 41.798 1.00 0.00 O +HETATM22200 H1 T4P E2051 32.001 7.831 41.032 1.00 0.00 H 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45.152 1.00 0.00 O +HETATM22218 H1 T4P E2057 -27.357 -4.368 45.056 1.00 0.00 H +HETATM22219 H2 T4P E2057 -28.602 -4.747 44.282 1.00 0.00 H +HETATM22220 O T4P E2058 24.700 2.928 -31.205 1.00 0.00 O +HETATM22221 H1 T4P E2058 24.325 2.080 -30.966 1.00 0.00 H +HETATM22222 H2 T4P E2058 25.339 3.110 -30.516 1.00 0.00 H +HETATM22223 O T4P E2059 -30.157 27.883 -35.340 1.00 0.00 O +HETATM22224 H1 T4P E2059 -29.893 27.224 -34.698 1.00 0.00 H +HETATM22225 H2 T4P E2059 -30.927 27.507 -35.766 1.00 0.00 H +HETATM22226 O T4P E2060 -30.338 1.014 -37.030 1.00 0.00 O +HETATM22227 H1 T4P E2060 -29.706 0.989 -37.747 1.00 0.00 H +HETATM22228 H2 T4P E2060 -30.028 0.351 -36.413 1.00 0.00 H +HETATM22229 O T4P E2061 -22.549 -16.487 42.918 1.00 0.00 O +HETATM22230 H1 T4P E2061 -22.608 -15.580 42.619 1.00 0.00 H +HETATM22231 H2 T4P E2061 -22.639 -16.432 43.870 1.00 0.00 H +HETATM22232 O T4P E2062 -29.498 -7.171 42.795 1.00 0.00 O +HETATM22233 H1 T4P E2062 -30.049 -7.069 43.571 1.00 0.00 H +HETATM22234 H2 T4P E2062 -29.482 -6.301 42.396 1.00 0.00 H +HETATM22235 O T4P E2063 -30.176 -27.684 43.885 1.00 0.00 O +HETATM22236 H1 T4P E2063 -30.890 -27.157 43.527 1.00 0.00 H +HETATM22237 H2 T4P E2063 -29.730 -28.039 43.116 1.00 0.00 H +HETATM22238 O T4P E2064 2.448 -0.888 41.681 1.00 0.00 O +HETATM22239 H1 T4P E2064 2.359 -0.260 40.965 1.00 0.00 H +HETATM22240 H2 T4P E2064 1.742 -1.519 41.537 1.00 0.00 H +HETATM22241 O T4P E2065 -24.652 23.276 -42.443 1.00 0.00 O +HETATM22242 H1 T4P E2065 -24.648 22.347 -42.672 1.00 0.00 H +HETATM22243 H2 T4P E2065 -24.652 23.287 -41.486 1.00 0.00 H +HETATM22244 O T4P E2066 -26.728 29.033 -44.300 1.00 0.00 O +HETATM22245 H1 T4P E2066 -27.436 29.292 -44.890 1.00 0.00 H +HETATM22246 H2 T4P E2066 -26.491 28.150 -44.583 1.00 0.00 H +HETATM22247 O T4P E2067 33.012 -5.157 41.424 1.00 0.00 O +HETATM22248 H1 T4P E2067 32.142 -5.057 41.810 1.00 0.00 H +HETATM22249 H2 T4P E2067 33.413 -4.292 41.509 1.00 0.00 H +HETATM22250 O T4P E2068 27.301 -20.273 -40.629 1.00 0.00 O 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-19.602 -40.687 1.00 0.00 H +HETATM22268 O T4P E2074 15.609 -24.221 -35.984 1.00 0.00 O +HETATM22269 H1 T4P E2074 16.314 -24.775 -35.649 1.00 0.00 H +HETATM22270 H2 T4P E2074 15.623 -23.448 -35.419 1.00 0.00 H +HETATM22271 O T4P E2075 -24.717 -10.835 -39.304 1.00 0.00 O +HETATM22272 H1 T4P E2075 -25.265 -10.066 -39.461 1.00 0.00 H +HETATM22273 H2 T4P E2075 -24.452 -11.123 -40.177 1.00 0.00 H +HETATM22274 O T4P E2076 12.963 -8.048 35.620 1.00 0.00 O +HETATM22275 H1 T4P E2076 12.169 -8.133 36.147 1.00 0.00 H +HETATM22276 H2 T4P E2076 13.158 -7.111 35.629 1.00 0.00 H +HETATM22277 O T4P E2077 16.245 -7.997 -33.950 1.00 0.00 O +HETATM22278 H1 T4P E2077 16.366 -8.669 -34.621 1.00 0.00 H +HETATM22279 H2 T4P E2077 15.666 -7.353 -34.356 1.00 0.00 H +HETATM22280 O T4P E2078 16.269 0.016 -38.338 1.00 0.00 O +HETATM22281 H1 T4P E2078 16.485 0.095 -39.267 1.00 0.00 H +HETATM22282 H2 T4P E2078 15.687 -0.742 -38.290 1.00 0.00 H +HETATM22283 O T4P E2079 -29.605 -3.574 26.172 1.00 0.00 O +HETATM22284 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8.054 27.124 1.00 0.00 H +HETATM22988 O T4P E2314 32.378 2.206 42.662 1.00 0.00 O +HETATM22989 H1 T4P E2314 33.257 2.516 42.882 1.00 0.00 H +HETATM22990 H2 T4P E2314 32.045 2.852 42.040 1.00 0.00 H +HETATM22991 O T4P E2315 -5.492 -19.727 -40.874 1.00 0.00 O +HETATM22992 H1 T4P E2315 -5.472 -20.477 -40.281 1.00 0.00 H +HETATM22993 H2 T4P E2315 -5.896 -19.027 -40.362 1.00 0.00 H +HETATM22994 O T4P E2316 0.748 7.296 24.294 1.00 0.00 O +HETATM22995 H1 T4P E2316 1.469 6.737 24.583 1.00 0.00 H +HETATM22996 H2 T4P E2316 0.077 6.684 23.989 1.00 0.00 H +HETATM22997 O T4P E2317 -9.103 29.044 32.906 1.00 0.00 O +HETATM22998 H1 T4P E2317 -9.686 29.686 32.501 1.00 0.00 H +HETATM22999 H2 T4P E2317 -8.896 29.415 33.764 1.00 0.00 H +HETATM23000 O T4P E2318 -27.746 11.034 34.382 1.00 0.00 O +HETATM23001 H1 T4P E2318 -27.554 11.972 34.393 1.00 0.00 H +HETATM23002 H2 T4P E2318 -27.464 10.741 33.515 1.00 0.00 H +HETATM23003 O T4P E2319 -17.903 -28.026 35.407 1.00 0.00 O +HETATM23004 H1 T4P E2319 -18.656 -27.464 35.590 1.00 0.00 H +HETATM23005 H2 T4P E2319 -17.143 -27.455 35.528 1.00 0.00 H +HETATM23006 O T4P E2320 -12.913 18.303 45.039 1.00 0.00 O +HETATM23007 H1 T4P E2320 -13.054 17.375 45.226 1.00 0.00 H +HETATM23008 H2 T4P E2320 -13.036 18.379 44.093 1.00 0.00 H +HETATM23009 O T4P E2321 -16.824 -23.570 -25.913 1.00 0.00 O +HETATM23010 H1 T4P E2321 -17.742 -23.435 -26.146 1.00 0.00 H +HETATM23011 H2 T4P E2321 -16.796 -23.448 -24.964 1.00 0.00 H +HETATM23012 O T4P E2322 -13.250 -28.618 37.307 1.00 0.00 O +HETATM23013 H1 T4P E2322 -13.686 -28.757 38.148 1.00 0.00 H +HETATM23014 H2 T4P E2322 -13.643 -29.266 36.723 1.00 0.00 H +HETATM23015 O T4P E2323 -18.176 9.535 32.709 1.00 0.00 O +HETATM23016 H1 T4P E2323 -18.429 8.715 33.133 1.00 0.00 H +HETATM23017 H2 T4P E2323 -17.342 9.769 33.117 1.00 0.00 H +HETATM23018 O T4P E2324 -24.454 -21.648 44.518 1.00 0.00 O +HETATM23019 H1 T4P E2324 -23.757 -21.457 43.891 1.00 0.00 H +HETATM23020 H2 T4P E2324 -25.235 -21.776 43.979 1.00 0.00 H 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0.00 H +HETATM23038 H2 T4P E2330 33.202 -28.647 33.016 1.00 0.00 H +HETATM23039 O T4P E2331 -22.859 5.798 36.381 1.00 0.00 O +HETATM23040 H1 T4P E2331 -23.286 6.619 36.133 1.00 0.00 H +HETATM23041 H2 T4P E2331 -22.000 6.064 36.709 1.00 0.00 H +HETATM23042 O T4P E2332 -20.949 22.305 -32.747 1.00 0.00 O +HETATM23043 H1 T4P E2332 -21.452 21.532 -32.492 1.00 0.00 H +HETATM23044 H2 T4P E2332 -21.555 23.036 -32.626 1.00 0.00 H +HETATM23045 O T4P E2333 6.195 18.864 23.434 1.00 0.00 O +HETATM23046 H1 T4P E2333 6.189 18.488 24.315 1.00 0.00 H +HETATM23047 H2 T4P E2333 6.284 19.806 23.576 1.00 0.00 H +HETATM23048 O T4P E2334 -6.952 23.015 31.044 1.00 0.00 O +HETATM23049 H1 T4P E2334 -7.553 23.601 31.504 1.00 0.00 H +HETATM23050 H2 T4P E2334 -6.235 22.873 31.662 1.00 0.00 H +HETATM23051 O T4P E2335 -6.560 16.938 -37.911 1.00 0.00 O +HETATM23052 H1 T4P E2335 -6.978 16.955 -37.050 1.00 0.00 H +HETATM23053 H2 T4P E2335 -6.587 16.018 -38.173 1.00 0.00 H +HETATM23054 O T4P E2336 32.672 2.033 -40.003 1.00 0.00 O +HETATM23055 H1 T4P E2336 33.500 1.847 -39.562 1.00 0.00 H +HETATM23056 H2 T4P E2336 32.926 2.467 -40.817 1.00 0.00 H +HETATM23057 O T4P E2337 21.605 -6.828 29.830 1.00 0.00 O +HETATM23058 H1 T4P E2337 21.915 -6.396 30.627 1.00 0.00 H +HETATM23059 H2 T4P E2337 22.158 -7.605 29.748 1.00 0.00 H +HETATM23060 O T4P E2338 -31.910 16.342 41.142 1.00 0.00 O +HETATM23061 H1 T4P E2338 -31.306 16.429 41.880 1.00 0.00 H +HETATM23062 H2 T4P E2338 -31.468 15.744 40.540 1.00 0.00 H +HETATM23063 O T4P E2339 22.844 -10.985 -31.631 1.00 0.00 O +HETATM23064 H1 T4P E2339 23.469 -11.082 -32.350 1.00 0.00 H +HETATM23065 H2 T4P E2339 23.229 -10.315 -31.067 1.00 0.00 H +HETATM23066 O T4P E2340 0.234 10.174 -43.503 1.00 0.00 O +HETATM23067 H1 T4P E2340 -0.414 10.731 -43.071 1.00 0.00 H +HETATM23068 H2 T4P E2340 -0.286 9.519 -43.968 1.00 0.00 H +HETATM23069 O T4P E2341 -13.473 15.782 40.932 1.00 0.00 O +HETATM23070 H1 T4P E2341 -12.817 15.623 41.611 1.00 0.00 H +HETATM23071 H2 T4P E2341 -14.312 15.638 41.371 1.00 0.00 H +HETATM23072 O T4P E2342 -8.894 23.933 41.935 1.00 0.00 O +HETATM23073 H1 T4P E2342 -8.208 23.314 42.184 1.00 0.00 H +HETATM23074 H2 T4P E2342 -8.959 23.848 40.984 1.00 0.00 H +HETATM23075 O T4P E2343 -26.166 24.252 32.807 1.00 0.00 O +HETATM23076 H1 T4P E2343 -26.924 24.505 32.281 1.00 0.00 H +HETATM23077 H2 T4P E2343 -25.798 25.081 33.113 1.00 0.00 H +HETATM23078 O T4P E2344 33.863 25.182 39.758 1.00 0.00 O +HETATM23079 H1 T4P E2344 33.224 24.776 39.172 1.00 0.00 H +HETATM23080 H2 T4P E2344 33.351 25.447 40.523 1.00 0.00 H +HETATM23081 O T4P E2345 22.813 17.804 21.125 1.00 0.00 O +HETATM23082 H1 T4P E2345 23.309 18.618 21.208 1.00 0.00 H +HETATM23083 H2 T4P E2345 21.943 18.017 21.464 1.00 0.00 H +HETATM23084 O T4P E2346 23.747 18.749 -41.048 1.00 0.00 O +HETATM23085 H1 T4P E2346 23.675 19.151 -41.913 1.00 0.00 H +HETATM23086 H2 T4P E2346 22.851 18.743 -40.710 1.00 0.00 H +HETATM23087 O T4P E2347 7.458 22.675 36.200 1.00 0.00 O +HETATM23088 H1 T4P E2347 6.872 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E2664 23.561 -5.262 45.792 1.00 0.00 O +HETATM24039 H1 T4P E2664 23.300 -5.935 46.419 1.00 0.00 H +HETATM24040 H2 T4P E2664 23.141 -4.462 46.108 1.00 0.00 H +HETATM24041 O T4P E2665 -8.542 -15.630 43.882 1.00 0.00 O +HETATM24042 H1 T4P E2665 -8.957 -16.033 43.119 1.00 0.00 H +HETATM24043 H2 T4P E2665 -9.258 -15.192 44.342 1.00 0.00 H +HETATM24044 O T4P E2666 -24.977 -2.367 -32.309 1.00 0.00 O +HETATM24045 H1 T4P E2666 -24.039 -2.342 -32.120 1.00 0.00 H +HETATM24046 H2 T4P E2666 -25.070 -3.045 -32.977 1.00 0.00 H +HETATM24047 O T4P E2667 33.937 3.146 -42.246 1.00 0.00 O +HETATM24048 H1 T4P E2667 34.000 3.904 -42.827 1.00 0.00 H +HETATM24049 H2 T4P E2667 34.440 2.462 -42.688 1.00 0.00 H +HETATM24050 O T4P E2668 5.885 -25.893 39.458 1.00 0.00 O +HETATM24051 H1 T4P E2668 6.255 -25.822 38.578 1.00 0.00 H +HETATM24052 H2 T4P E2668 5.522 -25.025 39.636 1.00 0.00 H +HETATM24053 O T4P E2669 -28.312 24.781 31.228 1.00 0.00 O +HETATM24054 H1 T4P E2669 -28.551 25.685 31.430 1.00 0.00 H 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T4P E3332 -24.146 -21.958 -32.109 1.00 0.00 H +HETATM26045 O T4P E3333 -27.564 -14.442 28.589 1.00 0.00 O +HETATM26046 H1 T4P E3333 -27.559 -15.358 28.866 1.00 0.00 H +HETATM26047 H2 T4P E3333 -27.431 -13.946 29.396 1.00 0.00 H +HETATM26048 O T4P E3334 33.675 12.685 15.549 1.00 0.00 O +HETATM26049 H1 T4P E3334 34.056 12.556 14.680 1.00 0.00 H +HETATM26050 H2 T4P E3334 33.621 13.635 15.648 1.00 0.00 H +HETATM26051 O T4P E3335 -18.039 0.976 33.088 1.00 0.00 O +HETATM26052 H1 T4P E3335 -17.545 1.418 32.397 1.00 0.00 H +HETATM26053 H2 T4P E3335 -17.374 0.521 33.605 1.00 0.00 H +HETATM26054 O T4P E3336 -16.048 28.427 -22.215 1.00 0.00 O +HETATM26055 H1 T4P E3336 -15.849 28.085 -21.343 1.00 0.00 H +HETATM26056 H2 T4P E3336 -16.094 27.650 -22.773 1.00 0.00 H +HETATM26057 O T4P E3337 -23.718 -2.559 -37.854 1.00 0.00 O +HETATM26058 H1 T4P E3337 -24.146 -3.390 -37.644 1.00 0.00 H +HETATM26059 H2 T4P E3337 -22.966 -2.806 -38.393 1.00 0.00 H +HETATM26060 O T4P E3338 23.371 -3.138 -19.061 1.00 0.00 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14.749 1.00 0.00 H +HETATM26078 O T4P E3344 -14.671 26.597 28.400 1.00 0.00 O +HETATM26079 H1 T4P E3344 -14.927 26.426 29.307 1.00 0.00 H +HETATM26080 H2 T4P E3344 -14.472 27.533 28.379 1.00 0.00 H +HETATM26081 O T4P E3345 22.162 4.814 14.532 1.00 0.00 O +HETATM26082 H1 T4P E3345 21.787 5.670 14.738 1.00 0.00 H +HETATM26083 H2 T4P E3345 21.434 4.202 14.633 1.00 0.00 H +HETATM26084 O T4P E3346 34.489 -20.690 -20.088 1.00 0.00 O +HETATM26085 H1 T4P E3346 35.211 -20.246 -19.644 1.00 0.00 H +HETATM26086 H2 T4P E3346 34.601 -21.614 -19.865 1.00 0.00 H +HETATM26087 O T4P E3347 -29.394 12.876 -21.026 1.00 0.00 O +HETATM26088 H1 T4P E3347 -29.475 13.825 -21.123 1.00 0.00 H +HETATM26089 H2 T4P E3347 -30.025 12.650 -20.342 1.00 0.00 H +HETATM26090 O T4P E3348 -31.142 24.969 20.424 1.00 0.00 O +HETATM26091 H1 T4P E3348 -31.615 25.782 20.601 1.00 0.00 H +HETATM26092 H2 T4P E3348 -31.417 24.719 19.542 1.00 0.00 H +HETATM26093 O T4P E3349 8.735 5.965 36.344 1.00 0.00 O +HETATM26094 H1 T4P E3349 9.455 5.435 36.001 1.00 0.00 H +HETATM26095 H2 T4P E3349 9.132 6.814 36.535 1.00 0.00 H +HETATM26096 O T4P E3350 -23.152 -19.779 17.463 1.00 0.00 O +HETATM26097 H1 T4P E3350 -23.015 -18.893 17.799 1.00 0.00 H +HETATM26098 H2 T4P E3350 -22.500 -20.311 17.918 1.00 0.00 H +HETATM26099 O T4P E3351 -11.476 18.828 33.533 1.00 0.00 O +HETATM26100 H1 T4P E3351 -10.691 19.287 33.831 1.00 0.00 H +HETATM26101 H2 T4P E3351 -12.007 19.507 33.117 1.00 0.00 H +HETATM26102 O T4P E3352 -24.589 -10.709 -16.500 1.00 0.00 O +HETATM26103 H1 T4P E3352 -24.851 -11.520 -16.065 1.00 0.00 H +HETATM26104 H2 T4P E3352 -23.643 -10.655 -16.359 1.00 0.00 H +HETATM26105 O T4P E3353 3.827 18.243 37.423 1.00 0.00 O +HETATM26106 H1 T4P E3353 3.681 18.512 38.330 1.00 0.00 H +HETATM26107 H2 T4P E3353 4.457 18.879 37.082 1.00 0.00 H +HETATM26108 O T4P E3354 -19.817 11.266 31.554 1.00 0.00 O +HETATM26109 H1 T4P E3354 -19.287 10.562 31.929 1.00 0.00 H +HETATM26110 H2 T4P E3354 -19.887 11.044 30.625 1.00 0.00 H +HETATM26111 O T4P E3355 -21.198 -16.173 -19.625 1.00 0.00 O +HETATM26112 H1 T4P E3355 -21.392 -15.538 -18.936 1.00 0.00 H +HETATM26113 H2 T4P E3355 -20.801 -16.913 -19.165 1.00 0.00 H +HETATM26114 O T4P E3356 24.671 14.583 38.715 1.00 0.00 O +HETATM26115 H1 T4P E3356 24.904 15.429 39.097 1.00 0.00 H +HETATM26116 H2 T4P E3356 23.782 14.706 38.382 1.00 0.00 H +HETATM26117 O T4P E3357 29.916 -18.872 17.155 1.00 0.00 O +HETATM26118 H1 T4P E3357 30.795 -18.517 17.020 1.00 0.00 H +HETATM26119 H2 T4P E3357 29.350 -18.325 16.610 1.00 0.00 H +HETATM26120 O T4P E3358 -16.517 25.978 26.243 1.00 0.00 O +HETATM26121 H1 T4P E3358 -16.094 26.024 25.385 1.00 0.00 H +HETATM26122 H2 T4P E3358 -15.825 26.203 26.864 1.00 0.00 H +HETATM26123 O T4P E3359 30.000 -12.381 -38.055 1.00 0.00 O +HETATM26124 H1 T4P E3359 29.412 -11.787 -37.588 1.00 0.00 H +HETATM26125 H2 T4P E3359 30.254 -11.897 -38.841 1.00 0.00 H +HETATM26126 O T4P E3360 12.017 -22.425 28.617 1.00 0.00 O +HETATM26127 H1 T4P E3360 12.009 -23.379 28.694 1.00 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36.536 1.00 0.00 O +HETATM26145 H1 T4P E3366 17.377 7.179 36.988 1.00 0.00 H +HETATM26146 H2 T4P E3366 18.845 6.873 37.191 1.00 0.00 H +HETATM26147 O T4P E3367 11.228 -13.930 -29.078 1.00 0.00 O +HETATM26148 H1 T4P E3367 10.733 -14.713 -29.319 1.00 0.00 H +HETATM26149 H2 T4P E3367 11.791 -14.214 -28.358 1.00 0.00 H +HETATM26150 O T4P E3368 21.759 25.626 43.461 1.00 0.00 O +HETATM26151 H1 T4P E3368 22.157 26.491 43.558 1.00 0.00 H +HETATM26152 H2 T4P E3368 21.156 25.555 44.201 1.00 0.00 H +HETATM26153 O T4P E3369 20.780 25.253 37.913 1.00 0.00 O +HETATM26154 H1 T4P E3369 19.982 25.624 37.536 1.00 0.00 H +HETATM26155 H2 T4P E3369 20.637 25.287 38.859 1.00 0.00 H +HETATM26156 O T4P E3370 -14.118 1.894 -32.845 1.00 0.00 O +HETATM26157 H1 T4P E3370 -14.651 1.444 -33.500 1.00 0.00 H +HETATM26158 H2 T4P E3370 -13.441 2.342 -33.353 1.00 0.00 H +HETATM26159 O T4P E3371 -18.841 23.550 27.688 1.00 0.00 O +HETATM26160 H1 T4P E3371 -18.052 23.536 27.147 1.00 0.00 H +HETATM26161 H2 T4P E3371 -18.566 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E4219 25.533 -26.895 -15.113 1.00 0.00 H +HETATM28705 H2 T4P E4219 26.740 -27.503 -15.795 1.00 0.00 H +HETATM28706 O T4P E4220 -29.093 -21.549 -21.871 1.00 0.00 O +HETATM28707 H1 T4P E4220 -28.779 -22.384 -22.218 1.00 0.00 H +HETATM28708 H2 T4P E4220 -28.299 -21.034 -21.731 1.00 0.00 H +HETATM28709 O T4P E4221 -5.737 24.855 40.481 1.00 0.00 O +HETATM28710 H1 T4P E4221 -5.854 24.136 39.861 1.00 0.00 H +HETATM28711 H2 T4P E4221 -5.245 24.470 41.206 1.00 0.00 H +HETATM28712 O T4P E4222 5.981 -9.906 27.637 1.00 0.00 O +HETATM28713 H1 T4P E4222 6.822 -9.878 28.094 1.00 0.00 H +HETATM28714 H2 T4P E4222 5.864 -9.020 27.296 1.00 0.00 H +HETATM28715 O T4P E4223 9.348 22.430 28.332 1.00 0.00 O +HETATM28716 H1 T4P E4223 8.663 22.756 28.916 1.00 0.00 H +HETATM28717 H2 T4P E4223 9.182 21.489 28.269 1.00 0.00 H +HETATM28718 O T4P E4224 -25.818 26.872 21.802 1.00 0.00 O +HETATM28719 H1 T4P E4224 -25.568 27.204 22.664 1.00 0.00 H +HETATM28720 H2 T4P E4224 -25.685 25.926 21.861 1.00 0.00 H +HETATM28721 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E4269 -17.996 19.658 -21.091 1.00 0.00 H +HETATM28855 H2 T4P E4269 -16.799 20.584 -21.133 1.00 0.00 H +HETATM28856 O T4P E4270 -15.975 28.876 -42.591 1.00 0.00 O +HETATM28857 H1 T4P E4270 -16.745 29.077 -43.122 1.00 0.00 H +HETATM28858 H2 T4P E4270 -15.977 29.544 -41.905 1.00 0.00 H +HETATM28859 O T4P E4271 -19.151 26.470 26.132 1.00 0.00 O +HETATM28860 H1 T4P E4271 -18.237 26.193 26.080 1.00 0.00 H +HETATM28861 H2 T4P E4271 -19.254 26.790 27.028 1.00 0.00 H +HETATM28862 O T4P E4272 -2.047 -22.007 20.075 1.00 0.00 O +HETATM28863 H1 T4P E4272 -1.641 -21.344 19.516 1.00 0.00 H +HETATM28864 H2 T4P E4272 -2.643 -22.479 19.494 1.00 0.00 H +HETATM28865 O T4P E4273 4.019 17.726 -23.377 1.00 0.00 O +HETATM28866 H1 T4P E4273 4.886 17.708 -23.783 1.00 0.00 H +HETATM28867 H2 T4P E4273 3.921 16.859 -22.982 1.00 0.00 H +HETATM28868 O T4P E4274 -15.489 -12.268 -31.809 1.00 0.00 O +HETATM28869 H1 T4P E4274 -15.576 -13.087 -31.321 1.00 0.00 H +HETATM28870 H2 T4P E4274 -14.945 -12.495 -32.563 1.00 0.00 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E4347 30.205 -6.219 -27.707 1.00 0.00 H +HETATM29089 H2 T4P E4347 29.573 -6.862 -26.491 1.00 0.00 H +HETATM29090 O T4P E4348 -18.936 7.413 -41.765 1.00 0.00 O +HETATM29091 H1 T4P E4348 -18.176 7.632 -42.304 1.00 0.00 H +HETATM29092 H2 T4P E4348 -18.771 6.519 -41.467 1.00 0.00 H +HETATM29093 O T4P E4349 31.833 18.372 18.055 1.00 0.00 O +HETATM29094 H1 T4P E4349 30.909 18.220 17.858 1.00 0.00 H +HETATM29095 H2 T4P E4349 32.288 18.185 17.234 1.00 0.00 H +HETATM29096 O T4P E4350 15.208 19.157 29.060 1.00 0.00 O +HETATM29097 H1 T4P E4350 15.092 19.265 30.004 1.00 0.00 H +HETATM29098 H2 T4P E4350 15.089 18.220 28.909 1.00 0.00 H +HETATM29099 O T4P E4351 12.550 -0.030 -45.277 1.00 0.00 O +HETATM29100 H1 T4P E4351 12.848 0.098 -46.178 1.00 0.00 H +HETATM29101 H2 T4P E4351 12.405 0.856 -44.945 1.00 0.00 H +HETATM29102 O T4P E4352 22.913 19.505 -37.289 1.00 0.00 O +HETATM29103 H1 T4P E4352 22.321 19.499 -38.042 1.00 0.00 H +HETATM29104 H2 T4P E4352 23.651 18.958 -37.560 1.00 0.00 H +HETATM29105 O T4P E4353 31.913 14.161 23.543 1.00 0.00 O +HETATM29106 H1 T4P E4353 32.393 14.579 24.257 1.00 0.00 H +HETATM29107 H2 T4P E4353 31.930 14.804 22.833 1.00 0.00 H +HETATM29108 O T4P E4354 2.585 -22.291 18.050 1.00 0.00 O +HETATM29109 H1 T4P E4354 3.208 -22.932 17.706 1.00 0.00 H +HETATM29110 H2 T4P E4354 1.726 -22.678 17.884 1.00 0.00 H +HETATM29111 O T4P E4355 9.541 -17.807 32.400 1.00 0.00 O +HETATM29112 H1 T4P E4355 8.643 -17.476 32.398 1.00 0.00 H +HETATM29113 H2 T4P E4355 9.913 -17.488 33.223 1.00 0.00 H +HETATM29114 O T4P E4356 -5.916 -13.115 -31.417 1.00 0.00 O +HETATM29115 H1 T4P E4356 -5.979 -12.167 -31.293 1.00 0.00 H +HETATM29116 H2 T4P E4356 -6.576 -13.478 -30.826 1.00 0.00 H +HETATM29117 O T4P E4357 -17.506 4.998 -34.970 1.00 0.00 O +HETATM29118 H1 T4P E4357 -17.315 5.787 -35.476 1.00 0.00 H +HETATM29119 H2 T4P E4357 -16.883 5.023 -34.243 1.00 0.00 H +HETATM29120 O T4P E4358 26.435 16.389 32.692 1.00 0.00 O +HETATM29121 H1 T4P E4358 26.315 15.514 33.060 1.00 0.00 H 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-16.681 -12.446 23.723 1.00 0.00 H +HETATM29341 H2 T4P E4431 -17.616 -11.825 24.738 1.00 0.00 H +HETATM29342 O T4P E4432 30.763 27.321 31.341 1.00 0.00 O +HETATM29343 H1 T4P E4432 29.848 27.059 31.443 1.00 0.00 H +HETATM29344 H2 T4P E4432 31.124 27.280 32.226 1.00 0.00 H +HETATM29345 O T4P E4433 -8.852 19.108 19.900 1.00 0.00 O +HETATM29346 H1 T4P E4433 -9.662 19.420 19.497 1.00 0.00 H +HETATM29347 H2 T4P E4433 -8.792 18.189 19.640 1.00 0.00 H +HETATM29348 O T4P E4434 -33.571 17.429 44.874 1.00 0.00 O +HETATM29349 H1 T4P E4434 -33.695 18.245 44.388 1.00 0.00 H +HETATM29350 H2 T4P E4434 -34.329 17.379 45.457 1.00 0.00 H +HETATM29351 O T4P E4435 27.211 -13.366 -29.331 1.00 0.00 O +HETATM29352 H1 T4P E4435 26.732 -13.809 -30.031 1.00 0.00 H +HETATM29353 H2 T4P E4435 26.946 -12.449 -29.403 1.00 0.00 H +HETATM29354 O T4P E4436 -24.546 -4.457 14.593 1.00 0.00 O +HETATM29355 H1 T4P E4436 -24.681 -4.025 13.750 1.00 0.00 H +HETATM29356 H2 T4P E4436 -23.595 -4.516 14.682 1.00 0.00 H +HETATM29357 O T4P E4437 30.617 5.022 18.797 1.00 0.00 O +HETATM29358 H1 T4P E4437 30.804 5.878 19.183 1.00 0.00 H +HETATM29359 H2 T4P E4437 31.366 4.847 18.228 1.00 0.00 H +HETATM29360 O T4P E4438 -30.406 3.599 -25.146 1.00 0.00 O +HETATM29361 H1 T4P E4438 -30.411 3.224 -26.027 1.00 0.00 H +HETATM29362 H2 T4P E4438 -30.944 3.001 -24.627 1.00 0.00 H +HETATM29363 O T4P E4439 -33.325 -9.284 32.606 1.00 0.00 O +HETATM29364 H1 T4P E4439 -33.053 -9.463 33.506 1.00 0.00 H +HETATM29365 H2 T4P E4439 -33.804 -10.068 32.340 1.00 0.00 H +HETATM29366 O T4P E4440 8.654 -21.914 -27.277 1.00 0.00 O +HETATM29367 H1 T4P E4440 9.193 -21.798 -28.059 1.00 0.00 H +HETATM29368 H2 T4P E4440 7.964 -21.257 -27.362 1.00 0.00 H +HETATM29369 O T4P E4441 -26.438 -1.332 -36.970 1.00 0.00 O +HETATM29370 H1 T4P E4441 -26.210 -1.164 -36.056 1.00 0.00 H +HETATM29371 H2 T4P E4441 -26.325 -2.276 -37.076 1.00 0.00 H +HETATM29372 O T4P E4442 -10.297 14.296 -31.780 1.00 0.00 O +HETATM29373 H1 T4P E4442 -10.270 13.689 -32.520 1.00 0.00 H 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6.144 22.538 32.284 1.00 0.00 O +HETATM29475 H1 T4P E4476 6.351 23.167 31.593 1.00 0.00 H +HETATM29476 H2 T4P E4476 6.621 21.745 32.037 1.00 0.00 H +HETATM29477 O T4P E4477 -25.347 22.448 26.251 1.00 0.00 O +HETATM29478 H1 T4P E4477 -26.093 22.011 25.840 1.00 0.00 H +HETATM29479 H2 T4P E4477 -24.691 21.759 26.354 1.00 0.00 H +HETATM29480 O T4P E4478 -7.818 -6.666 41.213 1.00 0.00 O +HETATM29481 H1 T4P E4478 -8.467 -6.342 40.589 1.00 0.00 H +HETATM29482 H2 T4P E4478 -7.706 -5.949 41.837 1.00 0.00 H +HETATM29483 O T4P E4479 -31.796 21.571 36.266 1.00 0.00 O +HETATM29484 H1 T4P E4479 -32.671 21.907 36.460 1.00 0.00 H +HETATM29485 H2 T4P E4479 -31.236 21.955 36.941 1.00 0.00 H +HETATM29486 O T4P E4480 20.687 -22.718 15.673 1.00 0.00 O +HETATM29487 H1 T4P E4480 20.278 -21.919 15.342 1.00 0.00 H +HETATM29488 H2 T4P E4480 20.062 -23.061 16.311 1.00 0.00 H +HETATM29489 O T4P E4481 18.709 4.800 -40.869 1.00 0.00 O +HETATM29490 H1 T4P E4481 18.468 4.318 -40.078 1.00 0.00 H +HETATM29491 H2 T4P 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E4487 -24.121 -7.141 23.861 1.00 0.00 H +HETATM29509 H2 T4P E4487 -22.832 -6.350 23.930 1.00 0.00 H +HETATM29510 O T4P E4488 -4.387 28.715 -13.729 1.00 0.00 O +HETATM29511 H1 T4P E4488 -3.910 29.535 -13.851 1.00 0.00 H +HETATM29512 H2 T4P E4488 -3.781 28.038 -14.029 1.00 0.00 H +HETATM29513 O T4P E4489 -1.698 18.703 -36.441 1.00 0.00 O +HETATM29514 H1 T4P E4489 -1.579 18.889 -35.510 1.00 0.00 H +HETATM29515 H2 T4P E4489 -2.426 18.083 -36.471 1.00 0.00 H +HETATM29516 O T4P E4490 2.096 28.983 20.613 1.00 0.00 O +HETATM29517 H1 T4P E4490 2.394 29.847 20.899 1.00 0.00 H +HETATM29518 H2 T4P E4490 1.467 29.165 19.915 1.00 0.00 H +HETATM29519 O T4P E4491 -22.027 -5.859 -21.555 1.00 0.00 O +HETATM29520 H1 T4P E4491 -21.185 -5.550 -21.222 1.00 0.00 H +HETATM29521 H2 T4P E4491 -22.207 -6.654 -21.054 1.00 0.00 H +HETATM29522 O T4P E4492 -23.166 22.268 19.212 1.00 0.00 O +HETATM29523 H1 T4P E4492 -24.108 22.325 19.373 1.00 0.00 H +HETATM29524 H2 T4P E4492 -22.825 23.124 19.472 1.00 0.00 H 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E4504 16.159 25.972 21.029 1.00 0.00 O +HETATM29559 H1 T4P E4504 16.261 26.023 21.980 1.00 0.00 H +HETATM29560 H2 T4P E4504 16.264 26.875 20.728 1.00 0.00 H +HETATM29561 O T4P E4505 -31.666 -9.276 28.897 1.00 0.00 O +HETATM29562 H1 T4P E4505 -30.922 -8.799 29.264 1.00 0.00 H +HETATM29563 H2 T4P E4505 -32.432 -8.770 29.165 1.00 0.00 H +HETATM29564 O T4P E4506 3.621 -23.584 -18.399 1.00 0.00 O +HETATM29565 H1 T4P E4506 4.473 -23.263 -18.103 1.00 0.00 H +HETATM29566 H2 T4P E4506 3.347 -22.956 -19.068 1.00 0.00 H +HETATM29567 O T4P E4507 -16.345 -25.155 28.957 1.00 0.00 O +HETATM29568 H1 T4P E4507 -15.898 -25.957 29.225 1.00 0.00 H +HETATM29569 H2 T4P E4507 -17.226 -25.238 29.322 1.00 0.00 H +HETATM29570 O T4P E4508 24.684 19.386 -22.881 1.00 0.00 O +HETATM29571 H1 T4P E4508 25.004 18.663 -22.342 1.00 0.00 H +HETATM29572 H2 T4P E4508 25.453 19.938 -23.025 1.00 0.00 H +HETATM29573 O T4P E4509 -9.585 15.750 -40.841 1.00 0.00 O +HETATM29574 H1 T4P E4509 -10.262 15.088 -40.699 1.00 0.00 H 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E4548 14.312 13.667 26.756 1.00 0.00 H +HETATM29693 O T4P E4549 13.389 15.500 45.263 1.00 0.00 O +HETATM29694 H1 T4P E4549 12.850 14.725 45.424 1.00 0.00 H +HETATM29695 H2 T4P E4549 13.124 16.121 45.942 1.00 0.00 H +HETATM29696 O T4P E4550 -27.472 13.178 -35.552 1.00 0.00 O +HETATM29697 H1 T4P E4550 -27.956 12.541 -36.078 1.00 0.00 H +HETATM29698 H2 T4P E4550 -26.553 12.942 -35.674 1.00 0.00 H +HETATM29699 O T4P E4551 -27.310 -2.743 27.399 1.00 0.00 O +HETATM29700 H1 T4P E4551 -27.286 -1.799 27.557 1.00 0.00 H +HETATM29701 H2 T4P E4551 -26.395 -3.020 27.457 1.00 0.00 H +HETATM29702 O T4P E4552 15.187 -14.190 29.587 1.00 0.00 O +HETATM29703 H1 T4P E4552 15.200 -13.279 29.293 1.00 0.00 H +HETATM29704 H2 T4P E4552 15.442 -14.695 28.815 1.00 0.00 H +HETATM29705 O T4P E4553 11.862 -25.872 23.552 1.00 0.00 O +HETATM29706 H1 T4P E4553 11.034 -25.469 23.287 1.00 0.00 H +HETATM29707 H2 T4P E4553 12.422 -25.134 23.791 1.00 0.00 H +HETATM29708 O T4P E4554 9.921 15.334 42.789 1.00 0.00 O 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-14.786 -33.401 1.00 0.00 H +HETATM29743 H2 T4P E4565 20.565 -14.107 -32.052 1.00 0.00 H +HETATM29744 O T4P E4566 23.311 -17.695 18.593 1.00 0.00 O +HETATM29745 H1 T4P E4566 22.570 -18.034 19.096 1.00 0.00 H +HETATM29746 H2 T4P E4566 23.077 -16.786 18.404 1.00 0.00 H +HETATM29747 O T4P E4567 12.824 27.276 41.161 1.00 0.00 O +HETATM29748 H1 T4P E4567 12.489 27.471 40.285 1.00 0.00 H +HETATM29749 H2 T4P E4567 13.615 27.809 41.239 1.00 0.00 H +HETATM29750 O T4P E4568 -21.995 -10.237 -15.527 1.00 0.00 O +HETATM29751 H1 T4P E4568 -21.506 -9.733 -16.176 1.00 0.00 H +HETATM29752 H2 T4P E4568 -21.832 -11.151 -15.761 1.00 0.00 H +HETATM29753 O T4P E4569 19.950 -19.266 -23.744 1.00 0.00 O +HETATM29754 H1 T4P E4569 19.125 -19.708 -23.944 1.00 0.00 H +HETATM29755 H2 T4P E4569 20.324 -19.058 -24.600 1.00 0.00 H +HETATM29756 O T4P E4570 -21.498 4.723 -33.975 1.00 0.00 O +HETATM29757 H1 T4P E4570 -21.958 4.312 -33.243 1.00 0.00 H +HETATM29758 H2 T4P E4570 -22.120 4.686 -34.701 1.00 0.00 H 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1.00 0.00 O +HETATM29859 H1 T4P E4604 12.516 1.184 33.468 1.00 0.00 H +HETATM29860 H2 T4P E4604 13.429 0.156 34.101 1.00 0.00 H +HETATM29861 O T4P E4605 14.312 16.708 28.158 1.00 0.00 O +HETATM29862 H1 T4P E4605 13.977 16.158 28.867 1.00 0.00 H +HETATM29863 H2 T4P E4605 15.001 16.181 27.752 1.00 0.00 H +HETATM29864 O T4P E4606 12.172 20.452 -39.491 1.00 0.00 O +HETATM29865 H1 T4P E4606 11.334 20.422 -39.029 1.00 0.00 H +HETATM29866 H2 T4P E4606 12.807 20.119 -38.856 1.00 0.00 H +HETATM29867 O T4P E4607 33.872 -11.570 -25.446 1.00 0.00 O +HETATM29868 H1 T4P E4607 32.935 -11.758 -25.393 1.00 0.00 H +HETATM29869 H2 T4P E4607 34.205 -11.758 -24.569 1.00 0.00 H +HETATM29870 O T4P E4608 32.153 25.592 41.706 1.00 0.00 O +HETATM29871 H1 T4P E4608 31.297 25.690 42.123 1.00 0.00 H +HETATM29872 H2 T4P E4608 32.393 24.678 41.860 1.00 0.00 H +HETATM29873 O T4P E4609 -7.090 -16.870 29.408 1.00 0.00 O +HETATM29874 H1 T4P E4609 -8.029 -16.831 29.591 1.00 0.00 H +HETATM29875 H2 T4P E4609 -6.694 -17.131 30.239 1.00 0.00 H +HETATM29876 O T4P E4610 3.622 17.504 22.615 1.00 0.00 O +HETATM29877 H1 T4P E4610 4.354 18.003 22.977 1.00 0.00 H +HETATM29878 H2 T4P E4610 4.031 16.743 22.203 1.00 0.00 H +HETATM29879 O T4P E4611 -23.370 -12.796 -27.264 1.00 0.00 O +HETATM29880 H1 T4P E4611 -24.195 -13.257 -27.410 1.00 0.00 H +HETATM29881 H2 T4P E4611 -22.835 -13.013 -28.027 1.00 0.00 H +HETATM29882 O T4P E4612 -28.852 -29.114 27.799 1.00 0.00 O +HETATM29883 H1 T4P E4612 -29.259 -29.343 28.635 1.00 0.00 H +HETATM29884 H2 T4P E4612 -29.455 -29.454 27.138 1.00 0.00 H +HETATM29885 O T4P E4613 25.308 -22.884 -43.516 1.00 0.00 O +HETATM29886 H1 T4P E4613 25.145 -23.826 -43.486 1.00 0.00 H +HETATM29887 H2 T4P E4613 26.205 -22.784 -43.199 1.00 0.00 H +HETATM29888 O T4P E4614 -7.917 17.644 39.404 1.00 0.00 O +HETATM29889 H1 T4P E4614 -7.207 17.012 39.515 1.00 0.00 H +HETATM29890 H2 T4P E4614 -8.242 17.799 40.291 1.00 0.00 H +HETATM29891 O T4P E4615 -9.941 19.160 -29.044 1.00 0.00 O +HETATM29892 H1 T4P E4615 -9.393 18.618 -29.612 1.00 0.00 H +HETATM29893 H2 T4P E4615 -9.861 20.043 -29.404 1.00 0.00 H +HETATM29894 O T4P E4616 -1.980 14.180 24.063 1.00 0.00 O +HETATM29895 H1 T4P E4616 -1.923 13.761 24.922 1.00 0.00 H +HETATM29896 H2 T4P E4616 -1.160 13.948 23.627 1.00 0.00 H +HETATM29897 O T4P E4617 10.043 17.417 -22.391 1.00 0.00 O +HETATM29898 H1 T4P E4617 10.391 17.137 -23.238 1.00 0.00 H +HETATM29899 H2 T4P E4617 9.641 18.268 -22.566 1.00 0.00 H +HETATM29900 O T4P E4618 10.615 -17.080 40.046 1.00 0.00 O +HETATM29901 H1 T4P E4618 10.527 -16.231 40.480 1.00 0.00 H +HETATM29902 H2 T4P E4618 10.038 -17.021 39.285 1.00 0.00 H +HETATM29903 O T4P E4619 4.310 -17.336 -29.983 1.00 0.00 O +HETATM29904 H1 T4P E4619 4.294 -16.391 -29.832 1.00 0.00 H +HETATM29905 H2 T4P E4619 3.664 -17.480 -30.674 1.00 0.00 H +HETATM29906 O T4P E4620 -3.955 -9.769 -39.799 1.00 0.00 O +HETATM29907 H1 T4P E4620 -4.792 -9.690 -39.341 1.00 0.00 H +HETATM29908 H2 T4P E4620 -3.324 -9.979 -39.110 1.00 0.00 H 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0.00 H +HETATM29926 H2 T4P E4626 -20.414 -28.447 -29.618 1.00 0.00 H +HETATM29927 O T4P E4627 -16.869 -23.910 26.307 1.00 0.00 O +HETATM29928 H1 T4P E4627 -16.638 -23.573 27.172 1.00 0.00 H +HETATM29929 H2 T4P E4627 -16.692 -23.182 25.711 1.00 0.00 H +HETATM29930 O T4P E4628 12.228 -23.623 -23.044 1.00 0.00 O +HETATM29931 H1 T4P E4628 11.495 -23.591 -23.660 1.00 0.00 H +HETATM29932 H2 T4P E4628 13.003 -23.476 -23.585 1.00 0.00 H +HETATM29933 O T4P E4629 -3.148 -25.934 -24.422 1.00 0.00 O +HETATM29934 H1 T4P E4629 -4.016 -25.543 -24.520 1.00 0.00 H +HETATM29935 H2 T4P E4629 -2.705 -25.376 -23.783 1.00 0.00 H +HETATM29936 O T4P E4630 -23.948 5.386 27.000 1.00 0.00 O +HETATM29937 H1 T4P E4630 -24.866 5.114 27.029 1.00 0.00 H +HETATM29938 H2 T4P E4630 -23.641 5.102 26.139 1.00 0.00 H +HETATM29939 O T4P E4631 6.008 -3.517 -46.197 1.00 0.00 O +HETATM29940 H1 T4P E4631 5.869 -2.785 -46.798 1.00 0.00 H +HETATM29941 H2 T4P E4631 5.255 -3.490 -45.607 1.00 0.00 H +HETATM29942 O T4P E4632 2.278 26.094 39.786 1.00 0.00 O +HETATM29943 H1 T4P E4632 2.180 25.167 39.569 1.00 0.00 H +HETATM29944 H2 T4P E4632 1.382 26.428 39.823 1.00 0.00 H +HETATM29945 O T4P E4633 -25.865 21.118 30.201 1.00 0.00 O +HETATM29946 H1 T4P E4633 -25.328 21.903 30.093 1.00 0.00 H +HETATM29947 H2 T4P E4633 -25.249 20.444 30.488 1.00 0.00 H +HETATM29948 O T4P E4634 -33.829 7.309 25.685 1.00 0.00 O +HETATM29949 H1 T4P E4634 -34.369 6.695 26.183 1.00 0.00 H +HETATM29950 H2 T4P E4634 -33.122 7.548 26.285 1.00 0.00 H +HETATM29951 O T4P E4635 -18.023 -19.096 -12.356 1.00 0.00 O +HETATM29952 H1 T4P E4635 -17.947 -18.147 -12.255 1.00 0.00 H +HETATM29953 H2 T4P E4635 -17.158 -19.375 -12.655 1.00 0.00 H +HETATM29954 O T4P E4636 -18.670 19.282 27.102 1.00 0.00 O +HETATM29955 H1 T4P E4636 -18.301 19.366 27.981 1.00 0.00 H +HETATM29956 H2 T4P E4636 -18.280 20.004 26.609 1.00 0.00 H +HETATM29957 O T4P E4637 -24.526 27.192 -20.293 1.00 0.00 O +HETATM29958 H1 T4P E4637 -23.993 26.399 -20.235 1.00 0.00 H +HETATM29959 H2 T4P E4637 -25.043 27.194 -19.488 1.00 0.00 H +HETATM29960 O T4P E4638 5.915 18.261 26.344 1.00 0.00 O +HETATM29961 H1 T4P E4638 6.089 19.000 26.928 1.00 0.00 H +HETATM29962 H2 T4P E4638 4.992 18.054 26.488 1.00 0.00 H +HETATM29963 O T4P E4639 -30.793 -0.855 -10.066 1.00 0.00 O +HETATM29964 H1 T4P E4639 -30.872 -0.086 -10.631 1.00 0.00 H +HETATM29965 H2 T4P E4639 -29.863 -1.077 -10.091 1.00 0.00 H +HETATM29966 O T4P E4640 -16.764 -17.960 -29.503 1.00 0.00 O +HETATM29967 H1 T4P E4640 -17.219 -17.170 -29.209 1.00 0.00 H +HETATM29968 H2 T4P E4640 -17.096 -18.654 -28.933 1.00 0.00 H +HETATM29969 O T4P E4641 -27.113 7.982 40.458 1.00 0.00 O +HETATM29970 H1 T4P E4641 -27.477 7.714 41.302 1.00 0.00 H +HETATM29971 H2 T4P E4641 -26.700 8.828 40.632 1.00 0.00 H +HETATM29972 O T4P E4642 5.961 -20.323 19.312 1.00 0.00 O +HETATM29973 H1 T4P E4642 5.892 -20.748 18.457 1.00 0.00 H +HETATM29974 H2 T4P E4642 5.868 -21.037 19.943 1.00 0.00 H +HETATM29975 O T4P E4643 -19.618 15.926 21.704 1.00 0.00 O 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E4872 -23.563 -12.149 -20.439 1.00 0.00 O +HETATM30663 H1 T4P E4872 -22.671 -12.175 -20.093 1.00 0.00 H +HETATM30664 H2 T4P E4872 -23.628 -11.299 -20.874 1.00 0.00 H +HETATM30665 O T4P E4873 12.660 29.316 -11.376 1.00 0.00 O +HETATM30666 H1 T4P E4873 11.817 29.291 -11.829 1.00 0.00 H +HETATM30667 H2 T4P E4873 12.632 30.122 -10.861 1.00 0.00 H +HETATM30668 O T4P E4874 5.986 16.656 36.730 1.00 0.00 O +HETATM30669 H1 T4P E4874 6.104 16.282 35.856 1.00 0.00 H +HETATM30670 H2 T4P E4874 5.102 17.023 36.717 1.00 0.00 H +HETATM30671 O T4P E4875 20.991 -24.762 -17.947 1.00 0.00 O +HETATM30672 H1 T4P E4875 20.663 -24.221 -17.229 1.00 0.00 H +HETATM30673 H2 T4P E4875 21.775 -25.182 -17.593 1.00 0.00 H +HETATM30674 O T4P E4876 -24.420 11.476 34.309 1.00 0.00 O +HETATM30675 H1 T4P E4876 -23.610 11.475 33.799 1.00 0.00 H +HETATM30676 H2 T4P E4876 -25.117 11.463 33.652 1.00 0.00 H +HETATM30677 O T4P E4877 31.386 -2.383 -20.420 1.00 0.00 O +HETATM30678 H1 T4P E4877 32.148 -2.801 -20.822 1.00 0.00 H 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-21.765 1.00 0.00 H +HETATM30713 O T4P E4889 18.749 21.134 26.746 1.00 0.00 O +HETATM30714 H1 T4P E4889 18.504 20.285 26.380 1.00 0.00 H +HETATM30715 H2 T4P E4889 18.223 21.767 26.257 1.00 0.00 H +HETATM30716 O T4P E4890 25.030 24.874 -38.066 1.00 0.00 O +HETATM30717 H1 T4P E4890 25.321 24.026 -38.401 1.00 0.00 H +HETATM30718 H2 T4P E4890 24.277 25.102 -38.611 1.00 0.00 H +HETATM30719 O T4P E4891 -32.478 -28.635 -17.117 1.00 0.00 O +HETATM30720 H1 T4P E4891 -31.634 -28.301 -17.420 1.00 0.00 H +HETATM30721 H2 T4P E4891 -32.826 -27.939 -16.560 1.00 0.00 H +HETATM30722 O T4P E4892 -4.640 6.099 -26.694 1.00 0.00 O +HETATM30723 H1 T4P E4892 -5.564 6.002 -26.922 1.00 0.00 H +HETATM30724 H2 T4P E4892 -4.169 5.835 -27.485 1.00 0.00 H +HETATM30725 O T4P E4893 33.704 0.525 -6.903 1.00 0.00 O +HETATM30726 H1 T4P E4893 33.794 0.203 -7.800 1.00 0.00 H +HETATM30727 H2 T4P E4893 34.591 0.486 -6.544 1.00 0.00 H +HETATM30728 O T4P E4894 18.439 -23.668 23.649 1.00 0.00 O +HETATM30729 H1 T4P E4894 18.776 -23.425 24.511 1.00 0.00 H +HETATM30730 H2 T4P E4894 18.554 -24.617 23.605 1.00 0.00 H +HETATM30731 O T4P E4895 29.095 25.578 22.541 1.00 0.00 O +HETATM30732 H1 T4P E4895 29.385 26.345 22.048 1.00 0.00 H +HETATM30733 H2 T4P E4895 29.818 24.955 22.463 1.00 0.00 H +HETATM30734 O T4P E4896 32.071 -12.495 44.488 1.00 0.00 O +HETATM30735 H1 T4P E4896 32.469 -12.281 45.332 1.00 0.00 H +HETATM30736 H2 T4P E4896 32.478 -11.887 43.871 1.00 0.00 H +HETATM30737 O T4P E4897 31.446 -2.756 -34.583 1.00 0.00 O +HETATM30738 H1 T4P E4897 31.200 -2.344 -35.411 1.00 0.00 H +HETATM30739 H2 T4P E4897 31.680 -3.653 -34.820 1.00 0.00 H +HETATM30740 O T4P E4898 22.201 -20.817 26.358 1.00 0.00 O +HETATM30741 H1 T4P E4898 21.936 -19.899 26.424 1.00 0.00 H +HETATM30742 H2 T4P E4898 22.039 -21.047 25.443 1.00 0.00 H +HETATM30743 O T4P E4899 -18.067 0.030 -26.500 1.00 0.00 O +HETATM30744 H1 T4P E4899 -18.884 -0.468 -26.499 1.00 0.00 H +HETATM30745 H2 T4P E4899 -18.345 0.946 -26.493 1.00 0.00 H +HETATM30746 O T4P E4900 -4.292 0.865 -38.881 1.00 0.00 O +HETATM30747 H1 T4P E4900 -4.364 1.752 -38.530 1.00 0.00 H +HETATM30748 H2 T4P E4900 -4.036 0.330 -38.130 1.00 0.00 H +HETATM30749 O T4P E4901 34.368 0.426 44.780 1.00 0.00 O +HETATM30750 H1 T4P E4901 33.475 0.569 44.466 1.00 0.00 H +HETATM30751 H2 T4P E4901 34.300 -0.335 45.358 1.00 0.00 H +HETATM30752 O T4P E4902 17.192 -3.198 24.503 1.00 0.00 O +HETATM30753 H1 T4P E4902 18.090 -3.082 24.814 1.00 0.00 H +HETATM30754 H2 T4P E4902 17.270 -3.802 23.765 1.00 0.00 H +HETATM30755 O T4P E4903 9.151 -12.303 -27.785 1.00 0.00 O +HETATM30756 H1 T4P E4903 8.468 -12.434 -28.442 1.00 0.00 H +HETATM30757 H2 T4P E4903 9.963 -12.539 -28.233 1.00 0.00 H +HETATM30758 O T4P E4904 11.387 15.554 23.830 1.00 0.00 O +HETATM30759 H1 T4P E4904 10.886 16.305 24.147 1.00 0.00 H +HETATM30760 H2 T4P E4904 12.302 15.828 23.901 1.00 0.00 H +HETATM30761 O T4P E4905 23.688 15.489 -11.099 1.00 0.00 O +HETATM30762 H1 T4P E4905 24.026 16.357 -11.320 1.00 0.00 H +HETATM30763 H2 T4P E4905 23.498 15.537 -10.162 1.00 0.00 H +HETATM30764 O T4P E4906 -28.363 -1.152 -33.134 1.00 0.00 O +HETATM30765 H1 T4P E4906 -27.514 -1.029 -33.559 1.00 0.00 H +HETATM30766 H2 T4P E4906 -28.447 -2.100 -33.037 1.00 0.00 H +HETATM30767 O T4P E4907 -22.580 -13.919 -46.146 1.00 0.00 O +HETATM30768 H1 T4P E4907 -23.374 -13.919 -45.612 1.00 0.00 H +HETATM30769 H2 T4P E4907 -22.420 -14.844 -46.337 1.00 0.00 H +HETATM30770 O T4P E4908 34.466 11.668 -35.994 1.00 0.00 O +HETATM30771 H1 T4P E4908 34.756 10.842 -36.382 1.00 0.00 H +HETATM30772 H2 T4P E4908 33.681 11.903 -36.490 1.00 0.00 H +HETATM30773 O T4P E4909 -23.227 6.760 -41.004 1.00 0.00 O +HETATM30774 H1 T4P E4909 -23.853 6.708 -41.726 1.00 0.00 H +HETATM30775 H2 T4P E4909 -22.450 6.303 -41.327 1.00 0.00 H +HETATM30776 O T4P E4910 -28.212 -1.508 -27.680 1.00 0.00 O +HETATM30777 H1 T4P E4910 -27.914 -1.584 -28.587 1.00 0.00 H +HETATM30778 H2 T4P E4910 -28.071 -0.588 -27.457 1.00 0.00 H +HETATM30779 O T4P E4911 31.179 20.239 38.700 1.00 0.00 O +HETATM30780 H1 T4P E4911 30.296 20.610 38.684 1.00 0.00 H +HETATM30781 H2 T4P E4911 31.752 20.974 38.484 1.00 0.00 H +HETATM30782 O T4P E4912 34.610 -12.626 22.731 1.00 0.00 O +HETATM30783 H1 T4P E4912 34.350 -12.187 21.921 1.00 0.00 H +HETATM30784 H2 T4P E4912 35.500 -12.315 22.896 1.00 0.00 H +HETATM30785 O T4P E4913 -12.702 -28.218 -27.103 1.00 0.00 O +HETATM30786 H1 T4P E4913 -13.326 -28.148 -27.825 1.00 0.00 H +HETATM30787 H2 T4P E4913 -12.930 -29.039 -26.667 1.00 0.00 H +HETATM30788 O T4P E4914 24.147 23.905 24.276 1.00 0.00 O +HETATM30789 H1 T4P E4914 24.522 23.681 23.424 1.00 0.00 H +HETATM30790 H2 T4P E4914 24.901 24.158 24.810 1.00 0.00 H +HETATM30791 O T4P E4915 -12.969 17.647 28.494 1.00 0.00 O +HETATM30792 H1 T4P E4915 -12.875 18.411 27.924 1.00 0.00 H +HETATM30793 H2 T4P E4915 -13.764 17.820 28.998 1.00 0.00 H +HETATM30794 O T4P E4916 -32.480 16.390 -13.621 1.00 0.00 O +HETATM30795 H1 T4P E4916 -32.715 17.138 -14.169 1.00 0.00 H +HETATM30796 H2 T4P E4916 -31.957 15.828 -14.194 1.00 0.00 H +HETATM30797 O T4P E4917 19.634 -22.649 -23.603 1.00 0.00 O +HETATM30798 H1 T4P E4917 19.069 -23.163 -24.179 1.00 0.00 H +HETATM30799 H2 T4P E4917 19.729 -21.807 -24.048 1.00 0.00 H +HETATM30800 O T4P E4918 -29.641 3.044 -34.904 1.00 0.00 O +HETATM30801 H1 T4P E4918 -29.850 3.602 -34.154 1.00 0.00 H +HETATM30802 H2 T4P E4918 -29.809 3.595 -35.668 1.00 0.00 H +HETATM30803 O T4P E4919 24.175 -2.588 -23.825 1.00 0.00 O +HETATM30804 H1 T4P E4919 24.821 -2.654 -24.528 1.00 0.00 H +HETATM30805 H2 T4P E4919 23.440 -3.125 -24.124 1.00 0.00 H +HETATM30806 O T4P E4920 34.831 -11.707 35.062 1.00 0.00 O +HETATM30807 H1 T4P E4920 33.876 -11.764 35.102 1.00 0.00 H +HETATM30808 H2 T4P E4920 35.045 -11.889 34.147 1.00 0.00 H +HETATM30809 O T4P E4921 -18.943 19.760 -44.265 1.00 0.00 O +HETATM30810 H1 T4P E4921 -19.429 19.308 -44.956 1.00 0.00 H +HETATM30811 H2 T4P E4921 -18.635 19.058 -43.691 1.00 0.00 H +HETATM30812 O T4P E4922 1.594 5.374 37.820 1.00 0.00 O +HETATM30813 H1 T4P E4922 2.185 4.702 37.479 1.00 0.00 H +HETATM30814 H2 T4P E4922 0.986 5.546 37.101 1.00 0.00 H +HETATM30815 O T4P E4923 -5.593 -5.444 -37.083 1.00 0.00 O +HETATM30816 H1 T4P E4923 -4.863 -5.604 -37.682 1.00 0.00 H +HETATM30817 H2 T4P E4923 -6.125 -6.238 -37.136 1.00 0.00 H +HETATM30818 O T4P E4924 -29.881 -6.375 33.976 1.00 0.00 O +HETATM30819 H1 T4P E4924 -30.425 -5.587 33.982 1.00 0.00 H +HETATM30820 H2 T4P E4924 -28.982 -6.045 33.953 1.00 0.00 H +HETATM30821 O T4P E4925 -27.488 -6.861 -24.117 1.00 0.00 O +HETATM30822 H1 T4P E4925 -28.441 -6.857 -24.032 1.00 0.00 H +HETATM30823 H2 T4P E4925 -27.313 -7.478 -24.827 1.00 0.00 H +HETATM30824 O T4P E4926 -23.901 12.414 23.628 1.00 0.00 O +HETATM30825 H1 T4P E4926 -24.779 12.111 23.861 1.00 0.00 H +HETATM30826 H2 T4P E4926 -23.368 11.619 23.614 1.00 0.00 H +HETATM30827 O T4P E4927 32.293 -26.453 29.496 1.00 0.00 O +HETATM30828 H1 T4P E4927 32.551 -25.573 29.220 1.00 0.00 H +HETATM30829 H2 T4P E4927 32.239 -26.954 28.682 1.00 0.00 H 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24.536 1.00 0.00 H +HETATM30847 H2 T4P E4933 -23.417 3.762 24.407 1.00 0.00 H +HETATM30848 O T4P E4934 -30.258 26.993 27.644 1.00 0.00 O +HETATM30849 H1 T4P E4934 -30.511 26.319 28.275 1.00 0.00 H +HETATM30850 H2 T4P E4934 -29.865 26.507 26.919 1.00 0.00 H +HETATM30851 O T4P E4935 -1.359 -8.428 -27.906 1.00 0.00 O +HETATM30852 H1 T4P E4935 -2.120 -8.809 -28.344 1.00 0.00 H +HETATM30853 H2 T4P E4935 -1.399 -7.496 -28.123 1.00 0.00 H +HETATM30854 O T4P E4936 26.124 18.595 36.922 1.00 0.00 O +HETATM30855 H1 T4P E4936 25.785 19.490 36.916 1.00 0.00 H +HETATM30856 H2 T4P E4936 27.007 18.670 36.560 1.00 0.00 H +HETATM30857 O T4P E4937 25.563 25.263 13.703 1.00 0.00 O +HETATM30858 H1 T4P E4937 25.703 24.423 14.142 1.00 0.00 H +HETATM30859 H2 T4P E4937 26.291 25.334 13.085 1.00 0.00 H +HETATM30860 O T4P E4938 11.264 22.146 24.627 1.00 0.00 O +HETATM30861 H1 T4P E4938 11.624 22.280 23.750 1.00 0.00 H +HETATM30862 H2 T4P E4938 11.684 21.345 24.939 1.00 0.00 H +HETATM30863 O T4P E4939 9.404 14.064 40.280 1.00 0.00 O +HETATM30864 H1 T4P E4939 9.705 13.249 39.878 1.00 0.00 H +HETATM30865 H2 T4P E4939 9.973 14.181 41.041 1.00 0.00 H +HETATM30866 O T4P E4940 -2.246 11.694 -33.995 1.00 0.00 O +HETATM30867 H1 T4P E4940 -2.124 11.407 -33.090 1.00 0.00 H +HETATM30868 H2 T4P E4940 -3.068 11.286 -34.267 1.00 0.00 H +HETATM30869 O T4P E4941 -27.802 -4.101 -26.661 1.00 0.00 O +HETATM30870 H1 T4P E4941 -28.259 -3.417 -27.151 1.00 0.00 H +HETATM30871 H2 T4P E4941 -28.133 -4.017 -25.767 1.00 0.00 H +HETATM30872 O T4P E4942 24.757 17.696 -11.774 1.00 0.00 O +HETATM30873 H1 T4P E4942 24.636 17.710 -12.723 1.00 0.00 H +HETATM30874 H2 T4P E4942 25.692 17.857 -11.648 1.00 0.00 H +HETATM30875 O T4P E4943 11.434 19.456 19.012 1.00 0.00 O +HETATM30876 H1 T4P E4943 11.597 19.677 18.095 1.00 0.00 H +HETATM30877 H2 T4P E4943 10.603 18.982 19.002 1.00 0.00 H +HETATM30878 O T4P E4944 32.341 -9.314 -29.052 1.00 0.00 O +HETATM30879 H1 T4P E4944 31.962 -9.992 -28.492 1.00 0.00 H +HETATM30880 H2 T4P E4944 32.039 -9.534 -29.933 1.00 0.00 H +HETATM30881 O T4P E4945 7.771 -13.304 27.446 1.00 0.00 O +HETATM30882 H1 T4P E4945 6.960 -13.383 26.944 1.00 0.00 H +HETATM30883 H2 T4P E4945 8.465 -13.355 26.789 1.00 0.00 H +HETATM30884 O T4P E4946 29.389 -23.916 40.548 1.00 0.00 O +HETATM30885 H1 T4P E4946 28.825 -23.181 40.310 1.00 0.00 H +HETATM30886 H2 T4P E4946 29.812 -24.170 39.727 1.00 0.00 H +HETATM30887 O T4P E4947 30.297 9.160 37.133 1.00 0.00 O +HETATM30888 H1 T4P E4947 29.804 9.858 37.565 1.00 0.00 H +HETATM30889 H2 T4P E4947 30.876 9.618 36.523 1.00 0.00 H +HETATM30890 O T4P E4948 33.399 -26.878 16.943 1.00 0.00 O +HETATM30891 H1 T4P E4948 34.160 -26.335 17.147 1.00 0.00 H +HETATM30892 H2 T4P E4948 32.895 -26.901 17.757 1.00 0.00 H +HETATM30893 O T4P E4949 -28.500 -3.779 -32.256 1.00 0.00 O +HETATM30894 H1 T4P E4949 -27.663 -4.233 -32.354 1.00 0.00 H +HETATM30895 H2 T4P E4949 -28.619 -3.697 -31.310 1.00 0.00 H +HETATM30896 O T4P E4950 25.817 10.726 -16.306 1.00 0.00 O +HETATM30897 H1 T4P E4950 26.478 10.234 -16.793 1.00 0.00 H +HETATM30898 H2 T4P E4950 26.127 10.715 -15.401 1.00 0.00 H +HETATM30899 O T4P E4951 29.411 12.497 27.309 1.00 0.00 O +HETATM30900 H1 T4P E4951 29.222 13.420 27.138 1.00 0.00 H +HETATM30901 H2 T4P E4951 30.090 12.270 26.674 1.00 0.00 H +HETATM30902 O T4P E4952 -18.034 -11.772 -31.245 1.00 0.00 O +HETATM30903 H1 T4P E4952 -18.450 -10.961 -31.536 1.00 0.00 H +HETATM30904 H2 T4P E4952 -17.095 -11.602 -31.324 1.00 0.00 H +HETATM30905 O T4P E4953 -29.452 24.047 27.305 1.00 0.00 O +HETATM30906 H1 T4P E4953 -28.840 23.953 26.575 1.00 0.00 H +HETATM30907 H2 T4P E4953 -29.349 23.240 27.810 1.00 0.00 H +HETATM30908 O T4P E4954 33.797 -17.606 -21.173 1.00 0.00 O +HETATM30909 H1 T4P E4954 33.568 -18.343 -20.607 1.00 0.00 H +HETATM30910 H2 T4P E4954 33.998 -16.892 -20.567 1.00 0.00 H +HETATM30911 O T4P E4955 -25.310 -8.148 26.411 1.00 0.00 O +HETATM30912 H1 T4P E4955 -26.002 -8.641 25.970 1.00 0.00 H +HETATM30913 H2 T4P E4955 -25.612 -7.240 26.389 1.00 0.00 H +HETATM30914 O T4P E4956 19.611 14.380 42.133 1.00 0.00 O +HETATM30915 H1 T4P E4956 20.452 14.356 41.677 1.00 0.00 H +HETATM30916 H2 T4P E4956 19.070 14.969 41.608 1.00 0.00 H +HETATM30917 O T4P E4957 17.437 -28.454 22.455 1.00 0.00 O +HETATM30918 H1 T4P E4957 17.989 -27.672 22.469 1.00 0.00 H +HETATM30919 H2 T4P E4957 17.397 -28.737 23.368 1.00 0.00 H +HETATM30920 O T4P E4958 29.462 -4.956 -22.792 1.00 0.00 O +HETATM30921 H1 T4P E4958 28.947 -4.382 -22.225 1.00 0.00 H +HETATM30922 H2 T4P E4958 29.495 -4.496 -23.631 1.00 0.00 H +HETATM30923 O T4P E4959 -5.731 4.935 26.769 1.00 0.00 O +HETATM30924 H1 T4P E4959 -6.569 4.763 27.198 1.00 0.00 H +HETATM30925 H2 T4P E4959 -5.968 5.264 25.902 1.00 0.00 H +HETATM30926 O T4P E4960 -27.896 -2.466 -10.044 1.00 0.00 O +HETATM30927 H1 T4P E4960 -27.232 -3.145 -10.167 1.00 0.00 H +HETATM30928 H2 T4P E4960 -27.480 -1.664 -10.359 1.00 0.00 H +HETATM30929 O T4P E4961 16.143 -20.016 16.722 1.00 0.00 O +HETATM30930 H1 T4P E4961 15.357 -20.553 16.817 1.00 0.00 H +HETATM30931 H2 T4P E4961 16.825 -20.633 16.457 1.00 0.00 H +HETATM30932 O T4P E4962 22.569 14.601 -33.282 1.00 0.00 O +HETATM30933 H1 T4P E4962 23.434 15.010 -33.248 1.00 0.00 H +HETATM30934 H2 T4P E4962 21.956 15.336 -33.276 1.00 0.00 H +HETATM30935 O T4P E4963 26.769 4.272 38.016 1.00 0.00 O +HETATM30936 H1 T4P E4963 27.541 4.831 38.104 1.00 0.00 H +HETATM30937 H2 T4P E4963 26.831 3.914 37.131 1.00 0.00 H +HETATM30938 O T4P E4964 20.930 -22.705 43.927 1.00 0.00 O +HETATM30939 H1 T4P E4964 20.807 -23.360 44.614 1.00 0.00 H +HETATM30940 H2 T4P E4964 21.562 -22.087 44.295 1.00 0.00 H +HETATM30941 O T4P E4965 -20.663 12.580 -27.256 1.00 0.00 O +HETATM30942 H1 T4P E4965 -21.386 12.716 -26.644 1.00 0.00 H +HETATM30943 H2 T4P E4965 -21.088 12.421 -28.099 1.00 0.00 H +HETATM30944 O T4P E4966 25.007 -8.605 32.606 1.00 0.00 O +HETATM30945 H1 T4P E4966 24.965 -8.865 33.526 1.00 0.00 H +HETATM30946 H2 T4P E4966 25.932 -8.409 32.454 1.00 0.00 H +HETATM30947 O T4P E4967 34.488 -29.439 -27.838 1.00 0.00 O +HETATM30948 H1 T4P E4967 35.215 -29.617 -27.242 1.00 0.00 H +HETATM30949 H2 T4P E4967 34.844 -29.611 -28.710 1.00 0.00 H +HETATM30950 O T4P E4968 -8.649 -13.018 -27.028 1.00 0.00 O +HETATM30951 H1 T4P E4968 -8.687 -13.783 -26.455 1.00 0.00 H +HETATM30952 H2 T4P E4968 -8.444 -12.289 -26.443 1.00 0.00 H +HETATM30953 O T4P E4969 -22.230 1.271 30.561 1.00 0.00 O +HETATM30954 H1 T4P E4969 -22.055 1.597 31.444 1.00 0.00 H +HETATM30955 H2 T4P E4969 -22.233 2.056 30.012 1.00 0.00 H +HETATM30956 O T4P E4970 16.535 -26.721 -11.319 1.00 0.00 O +HETATM30957 H1 T4P E4970 15.925 -26.882 -12.039 1.00 0.00 H +HETATM30958 H2 T4P E4970 15.976 -26.612 -10.550 1.00 0.00 H +HETATM30959 O T4P E4971 19.283 -18.419 -27.990 1.00 0.00 O +HETATM30960 H1 T4P E4971 19.335 -17.950 -28.823 1.00 0.00 H +HETATM30961 H2 T4P E4971 18.398 -18.784 -27.975 1.00 0.00 H +HETATM30962 O T4P E4972 -30.497 23.078 44.016 1.00 0.00 O +HETATM30963 H1 T4P E4972 -30.836 23.091 43.120 1.00 0.00 H 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1.00 0.00 O +HETATM30981 H1 T4P E4978 12.004 -27.582 -29.629 1.00 0.00 H +HETATM30982 H2 T4P E4978 11.550 -26.165 -29.349 1.00 0.00 H +HETATM30983 O T4P E4979 16.356 20.317 -38.256 1.00 0.00 O +HETATM30984 H1 T4P E4979 16.003 21.133 -37.900 1.00 0.00 H +HETATM30985 H2 T4P E4979 17.156 20.579 -38.711 1.00 0.00 H +HETATM30986 O T4P E4980 -22.418 2.412 14.792 1.00 0.00 O +HETATM30987 H1 T4P E4980 -22.798 2.097 13.972 1.00 0.00 H +HETATM30988 H2 T4P E4980 -23.144 2.395 15.416 1.00 0.00 H +HETATM30989 O T4P E4981 28.507 5.937 -14.159 1.00 0.00 O +HETATM30990 H1 T4P E4981 28.511 6.813 -13.773 1.00 0.00 H +HETATM30991 H2 T4P E4981 28.307 5.353 -13.427 1.00 0.00 H +HETATM30992 O T4P E4982 33.576 26.123 20.912 1.00 0.00 O +HETATM30993 H1 T4P E4982 33.015 26.318 21.663 1.00 0.00 H +HETATM30994 H2 T4P E4982 33.252 26.694 20.216 1.00 0.00 H +HETATM30995 O T4P E4983 33.053 -20.592 -45.017 1.00 0.00 O +HETATM30996 H1 T4P E4983 32.527 -20.873 -44.268 1.00 0.00 H +HETATM30997 H2 T4P E4983 32.529 -19.910 -45.436 1.00 0.00 H +HETATM30998 O T4P E4984 -15.687 -21.904 43.319 1.00 0.00 O +HETATM30999 H1 T4P E4984 -15.825 -22.759 42.913 1.00 0.00 H +HETATM31000 H2 T4P E4984 -16.380 -21.835 43.975 1.00 0.00 H +HETATM31001 O T4P E4985 -3.025 13.724 44.589 1.00 0.00 O +HETATM31002 H1 T4P E4985 -2.531 12.914 44.456 1.00 0.00 H +HETATM31003 H2 T4P E4985 -2.549 14.183 45.281 1.00 0.00 H +HETATM31004 O T4P E4986 17.532 -26.336 43.712 1.00 0.00 O +HETATM31005 H1 T4P E4986 17.279 -26.173 42.803 1.00 0.00 H +HETATM31006 H2 T4P E4986 16.761 -26.090 44.223 1.00 0.00 H +HETATM31007 O T4P E4987 -0.907 13.189 28.693 1.00 0.00 O +HETATM31008 H1 T4P E4987 -1.626 13.789 28.891 1.00 0.00 H +HETATM31009 H2 T4P E4987 -1.010 12.476 29.323 1.00 0.00 H +HETATM31010 O T4P E4988 -3.839 -19.586 16.852 1.00 0.00 O +HETATM31011 H1 T4P E4988 -3.478 -19.254 17.674 1.00 0.00 H +HETATM31012 H2 T4P E4988 -3.128 -20.098 16.467 1.00 0.00 H +HETATM31013 O T4P E4989 -17.538 15.780 -18.137 1.00 0.00 O +HETATM31014 H1 T4P E4989 -17.510 16.498 -17.506 1.00 0.00 H +HETATM31015 H2 T4P E4989 -18.106 15.125 -17.731 1.00 0.00 H +HETATM31016 O T4P E4990 -16.410 16.400 -40.469 1.00 0.00 O +HETATM31017 H1 T4P E4990 -15.806 16.034 -41.115 1.00 0.00 H +HETATM31018 H2 T4P E4990 -16.031 17.249 -40.242 1.00 0.00 H +HETATM31019 O T4P E4991 3.217 19.269 -26.875 1.00 0.00 O +HETATM31020 H1 T4P E4991 4.145 19.082 -27.018 1.00 0.00 H +HETATM31021 H2 T4P E4991 2.935 18.612 -26.239 1.00 0.00 H +HETATM31022 O T4P E4992 -33.969 19.618 24.365 1.00 0.00 O +HETATM31023 H1 T4P E4992 -34.614 20.307 24.201 1.00 0.00 H +HETATM31024 H2 T4P E4992 -33.968 19.512 25.316 1.00 0.00 H +HETATM31025 O T4P E4993 27.528 -22.475 17.836 1.00 0.00 O +HETATM31026 H1 T4P E4993 27.207 -22.740 16.974 1.00 0.00 H +HETATM31027 H2 T4P E4993 27.495 -21.518 17.821 1.00 0.00 H +HETATM31028 O T4P E4994 8.679 25.223 26.242 1.00 0.00 O +HETATM31029 H1 T4P E4994 9.385 25.599 26.767 1.00 0.00 H +HETATM31030 H2 T4P E4994 8.954 24.321 26.079 1.00 0.00 H 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T4P E5034 -34.802 5.630 -40.057 1.00 0.00 O +HETATM31149 H1 T4P E5034 -34.246 4.935 -40.409 1.00 0.00 H +HETATM31150 H2 T4P E5034 -34.742 6.335 -40.701 1.00 0.00 H +HETATM31151 O T4P E5035 9.496 -15.856 -29.990 1.00 0.00 O +HETATM31152 H1 T4P E5035 9.409 -15.768 -30.939 1.00 0.00 H +HETATM31153 H2 T4P E5035 9.804 -16.753 -29.859 1.00 0.00 H +HETATM31154 O T4P E5036 26.087 -24.317 -23.484 1.00 0.00 O +HETATM31155 H1 T4P E5036 26.461 -24.471 -22.616 1.00 0.00 H +HETATM31156 H2 T4P E5036 26.251 -25.129 -23.963 1.00 0.00 H +HETATM31157 O T4P E5037 -5.909 -19.519 -14.325 1.00 0.00 O +HETATM31158 H1 T4P E5037 -6.131 -19.483 -15.255 1.00 0.00 H +HETATM31159 H2 T4P E5037 -5.937 -20.450 -14.107 1.00 0.00 H +HETATM31160 O T4P E5038 3.722 -22.182 -36.393 1.00 0.00 O +HETATM31161 H1 T4P E5038 4.029 -21.476 -36.961 1.00 0.00 H +HETATM31162 H2 T4P E5038 3.545 -21.756 -35.554 1.00 0.00 H +HETATM31163 O T4P E5039 13.629 0.371 44.931 1.00 0.00 O +HETATM31164 H1 T4P E5039 14.153 -0.133 44.309 1.00 0.00 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E5056 15.880 9.358 38.276 1.00 0.00 H +HETATM31216 H2 T4P E5056 16.137 9.101 36.807 1.00 0.00 H +HETATM31217 O T4P E5057 33.468 -26.876 -40.971 1.00 0.00 O +HETATM31218 H1 T4P E5057 33.854 -27.676 -40.613 1.00 0.00 H +HETATM31219 H2 T4P E5057 34.214 -26.296 -41.122 1.00 0.00 H +HETATM31220 O T4P E5058 22.176 8.761 26.867 1.00 0.00 O +HETATM31221 H1 T4P E5058 22.906 8.144 26.804 1.00 0.00 H +HETATM31222 H2 T4P E5058 22.386 9.445 26.231 1.00 0.00 H +HETATM31223 O T4P E5059 15.080 24.913 13.130 1.00 0.00 O +HETATM31224 H1 T4P E5059 14.302 25.372 13.447 1.00 0.00 H +HETATM31225 H2 T4P E5059 15.813 25.456 13.420 1.00 0.00 H +HETATM31226 O T4P E5060 24.079 -17.119 42.883 1.00 0.00 O +HETATM31227 H1 T4P E5060 24.668 -16.465 43.260 1.00 0.00 H +HETATM31228 H2 T4P E5060 23.203 -16.755 43.011 1.00 0.00 H +HETATM31229 O T4P E5061 4.560 1.413 21.695 1.00 0.00 O +HETATM31230 H1 T4P E5061 5.299 2.021 21.707 1.00 0.00 H +HETATM31231 H2 T4P E5061 3.793 1.970 21.560 1.00 0.00 H +HETATM31232 O T4P E5062 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E5084 3.667 10.726 -22.082 1.00 0.00 H +HETATM31300 H2 T4P E5084 2.738 9.534 -22.164 1.00 0.00 H +HETATM31301 O T4P E5085 15.867 -14.771 -27.517 1.00 0.00 O +HETATM31302 H1 T4P E5085 16.252 -13.898 -27.585 1.00 0.00 H +HETATM31303 H2 T4P E5085 16.596 -15.335 -27.258 1.00 0.00 H +HETATM31304 O T4P E5086 27.660 12.149 13.144 1.00 0.00 O +HETATM31305 H1 T4P E5086 28.581 11.910 13.254 1.00 0.00 H +HETATM31306 H2 T4P E5086 27.433 11.830 12.271 1.00 0.00 H +HETATM31307 O T4P E5087 16.747 2.055 -42.931 1.00 0.00 O +HETATM31308 H1 T4P E5087 17.007 2.348 -43.805 1.00 0.00 H +HETATM31309 H2 T4P E5087 16.318 2.816 -42.541 1.00 0.00 H +HETATM31310 O T4P E5088 -7.156 19.560 17.943 1.00 0.00 O +HETATM31311 H1 T4P E5088 -7.750 20.277 17.717 1.00 0.00 H +HETATM31312 H2 T4P E5088 -7.413 19.307 18.830 1.00 0.00 H +HETATM31313 O T4P E5089 -27.334 26.395 -22.223 1.00 0.00 O +HETATM31314 H1 T4P E5089 -27.102 26.823 -21.399 1.00 0.00 H +HETATM31315 H2 T4P E5089 -28.169 26.790 -22.473 1.00 0.00 H 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45.861 1.00 0.00 H +HETATM31333 H2 T4P E5095 -2.838 26.489 46.762 1.00 0.00 H +HETATM31334 O T4P E5096 34.201 11.940 22.930 1.00 0.00 O +HETATM31335 H1 T4P E5096 33.465 11.524 23.379 1.00 0.00 H +HETATM31336 H2 T4P E5096 33.974 12.869 22.906 1.00 0.00 H +HETATM31337 O T4P E5097 -24.158 -24.819 -18.410 1.00 0.00 O +HETATM31338 H1 T4P E5097 -24.434 -24.266 -17.679 1.00 0.00 H +HETATM31339 H2 T4P E5097 -23.814 -24.206 -19.059 1.00 0.00 H +HETATM31340 O T4P E5098 -26.892 -19.567 -21.896 1.00 0.00 O +HETATM31341 H1 T4P E5098 -27.532 -19.054 -21.402 1.00 0.00 H +HETATM31342 H2 T4P E5098 -27.157 -19.467 -22.810 1.00 0.00 H +HETATM31343 O T4P E5099 -3.941 -7.457 42.546 1.00 0.00 O +HETATM31344 H1 T4P E5099 -4.085 -8.009 43.315 1.00 0.00 H +HETATM31345 H2 T4P E5099 -3.190 -6.912 42.780 1.00 0.00 H +HETATM31346 O T4P E5100 -29.842 3.838 43.923 1.00 0.00 O +HETATM31347 H1 T4P E5100 -30.707 3.700 44.310 1.00 0.00 H +HETATM31348 H2 T4P E5100 -29.589 2.979 43.586 1.00 0.00 H +HETATM31349 O T4P E5101 2.941 -19.531 -26.400 1.00 0.00 O +HETATM31350 H1 T4P E5101 2.413 -20.202 -26.832 1.00 0.00 H +HETATM31351 H2 T4P E5101 2.638 -18.706 -26.779 1.00 0.00 H +HETATM31352 O T4P E5102 -4.240 -20.740 -18.322 1.00 0.00 O +HETATM31353 H1 T4P E5102 -3.905 -21.305 -19.018 1.00 0.00 H +HETATM31354 H2 T4P E5102 -4.221 -19.859 -18.698 1.00 0.00 H +HETATM31355 O T4P E5103 6.486 23.122 -32.471 1.00 0.00 O +HETATM31356 H1 T4P E5103 5.546 23.268 -32.581 1.00 0.00 H +HETATM31357 H2 T4P E5103 6.666 22.329 -32.975 1.00 0.00 H +HETATM31358 O T4P E5104 15.786 -10.306 41.103 1.00 0.00 O +HETATM31359 H1 T4P E5104 14.919 -10.127 40.741 1.00 0.00 H +HETATM31360 H2 T4P E5104 16.356 -10.378 40.338 1.00 0.00 H +HETATM31361 O T4P E5105 -7.956 16.012 20.230 1.00 0.00 O +HETATM31362 H1 T4P E5105 -8.160 15.636 19.374 1.00 0.00 H +HETATM31363 H2 T4P E5105 -8.379 15.424 20.857 1.00 0.00 H +HETATM31364 O T4P E5106 16.617 -26.903 -26.753 1.00 0.00 O +HETATM31365 H1 T4P E5106 16.553 -26.879 -25.798 1.00 0.00 H +HETATM31366 H2 T4P E5106 17.501 -27.226 -26.926 1.00 0.00 H +HETATM31367 O T4P E5107 13.581 10.784 27.818 1.00 0.00 O +HETATM31368 H1 T4P E5107 14.282 10.809 27.167 1.00 0.00 H +HETATM31369 H2 T4P E5107 13.992 10.415 28.600 1.00 0.00 H +HETATM31370 O T4P E5108 13.082 -18.852 34.523 1.00 0.00 O +HETATM31371 H1 T4P E5108 13.220 -19.763 34.781 1.00 0.00 H +HETATM31372 H2 T4P E5108 13.058 -18.873 33.567 1.00 0.00 H +HETATM31373 O T4P E5109 10.716 -21.056 25.397 1.00 0.00 O +HETATM31374 H1 T4P E5109 10.962 -20.134 25.473 1.00 0.00 H +HETATM31375 H2 T4P E5109 10.856 -21.266 24.473 1.00 0.00 H +HETATM31376 O T4P E5110 24.571 20.717 35.739 1.00 0.00 O +HETATM31377 H1 T4P E5110 23.941 20.603 35.027 1.00 0.00 H +HETATM31378 H2 T4P E5110 24.039 20.697 36.535 1.00 0.00 H +HETATM31379 O T4P E5111 -23.130 17.317 -17.391 1.00 0.00 O +HETATM31380 H1 T4P E5111 -23.263 16.969 -18.272 1.00 0.00 H +HETATM31381 H2 T4P E5111 -23.510 16.657 -16.811 1.00 0.00 H +HETATM31382 O T4P E5112 -24.752 -9.303 38.686 1.00 0.00 O 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1.00 0.00 H +HETATM31400 O T4P E5118 -18.657 -11.264 -45.994 1.00 0.00 O +HETATM31401 H1 T4P E5118 -19.212 -10.875 -45.318 1.00 0.00 H +HETATM31402 H2 T4P E5118 -18.009 -11.774 -45.508 1.00 0.00 H +HETATM31403 O T4P E5119 12.004 -29.278 42.523 1.00 0.00 O +HETATM31404 H1 T4P E5119 12.152 -30.078 42.019 1.00 0.00 H +HETATM31405 H2 T4P E5119 11.618 -28.666 41.897 1.00 0.00 H +HETATM31406 O T4P E5120 -1.885 -14.472 -27.339 1.00 0.00 O +HETATM31407 H1 T4P E5120 -2.326 -13.623 -27.375 1.00 0.00 H +HETATM31408 H2 T4P E5120 -1.667 -14.590 -26.415 1.00 0.00 H +HETATM31409 O T4P E5121 -28.157 -19.001 43.496 1.00 0.00 O +HETATM31410 H1 T4P E5121 -28.369 -18.341 42.836 1.00 0.00 H +HETATM31411 H2 T4P E5121 -27.591 -19.623 43.040 1.00 0.00 H +HETATM31412 O T4P E5122 27.645 -22.750 28.186 1.00 0.00 O +HETATM31413 H1 T4P E5122 27.163 -22.949 28.989 1.00 0.00 H +HETATM31414 H2 T4P E5122 27.058 -22.182 27.687 1.00 0.00 H +HETATM31415 O T4P E5123 -6.520 6.332 -31.381 1.00 0.00 O +HETATM31416 H1 T4P E5123 -6.877 5.532 -31.767 1.00 0.00 H +HETATM31417 H2 T4P E5123 -7.014 6.448 -30.570 1.00 0.00 H +HETATM31418 O T4P E5124 2.522 -0.415 -32.036 1.00 0.00 O +HETATM31419 H1 T4P E5124 1.766 -0.055 -31.573 1.00 0.00 H +HETATM31420 H2 T4P E5124 2.751 0.256 -32.680 1.00 0.00 H +HETATM31421 O T4P E5125 6.461 27.660 9.835 1.00 0.00 O +HETATM31422 H1 T4P E5125 5.619 27.207 9.798 1.00 0.00 H +HETATM31423 H2 T4P E5125 6.947 27.206 10.524 1.00 0.00 H +HETATM31424 O T4P E5126 30.798 11.003 20.998 1.00 0.00 O +HETATM31425 H1 T4P E5126 31.600 11.192 21.484 1.00 0.00 H +HETATM31426 H2 T4P E5126 30.907 11.462 20.165 1.00 0.00 H +HETATM31427 O T4P E5127 -1.790 -5.296 42.623 1.00 0.00 O +HETATM31428 H1 T4P E5127 -1.713 -4.611 43.288 1.00 0.00 H +HETATM31429 H2 T4P E5127 -1.494 -4.879 41.814 1.00 0.00 H +HETATM31430 O T4P E5128 -32.628 -2.719 -33.318 1.00 0.00 O +HETATM31431 H1 T4P E5128 -32.369 -1.823 -33.102 1.00 0.00 H +HETATM31432 H2 T4P E5128 -32.116 -2.936 -34.097 1.00 0.00 H +HETATM31433 O T4P 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0.00 O +HETATM31467 H1 T4P E5140 27.629 -1.205 -29.519 1.00 0.00 H +HETATM31468 H2 T4P E5140 28.244 -2.585 -29.610 1.00 0.00 H +HETATM31469 O T4P E5141 24.161 -27.215 -30.678 1.00 0.00 O +HETATM31470 H1 T4P E5141 23.313 -27.107 -31.108 1.00 0.00 H +HETATM31471 H2 T4P E5141 24.211 -28.149 -30.476 1.00 0.00 H +HETATM31472 O T4P E5142 -21.394 14.905 19.678 1.00 0.00 O +HETATM31473 H1 T4P E5142 -21.259 15.834 19.491 1.00 0.00 H +HETATM31474 H2 T4P E5142 -20.623 14.472 19.310 1.00 0.00 H +HETATM31475 O T4P E5143 23.080 -2.144 38.511 1.00 0.00 O +HETATM31476 H1 T4P E5143 23.075 -2.565 37.651 1.00 0.00 H +HETATM31477 H2 T4P E5143 22.207 -2.312 38.866 1.00 0.00 H +HETATM31478 O T4P E5144 10.946 -23.678 -37.349 1.00 0.00 O +HETATM31479 H1 T4P E5144 10.740 -24.541 -37.708 1.00 0.00 H +HETATM31480 H2 T4P E5144 10.130 -23.387 -36.941 1.00 0.00 H +HETATM31481 O T4P E5145 -14.167 17.026 -33.276 1.00 0.00 O +HETATM31482 H1 T4P E5145 -14.116 16.639 -34.150 1.00 0.00 H +HETATM31483 H2 T4P E5145 -15.086 16.929 -33.024 1.00 0.00 H +HETATM31484 O T4P E5146 28.957 -10.165 -36.611 1.00 0.00 O +HETATM31485 H1 T4P E5146 29.486 -9.368 -36.662 1.00 0.00 H +HETATM31486 H2 T4P E5146 28.059 -9.850 -36.507 1.00 0.00 H +HETATM31487 O T4P E5147 24.730 11.268 -31.378 1.00 0.00 O +HETATM31488 H1 T4P E5147 25.045 10.669 -30.700 1.00 0.00 H +HETATM31489 H2 T4P E5147 25.525 11.647 -31.751 1.00 0.00 H +HETATM31490 O T4P E5148 13.423 23.336 18.949 1.00 0.00 O +HETATM31491 H1 T4P E5148 13.909 24.159 18.979 1.00 0.00 H +HETATM31492 H2 T4P E5148 13.107 23.276 18.047 1.00 0.00 H +HETATM31493 O T4P E5149 -18.986 1.192 14.140 1.00 0.00 O +HETATM31494 H1 T4P E5149 -19.820 0.969 14.552 1.00 0.00 H +HETATM31495 H2 T4P E5149 -19.192 1.271 13.208 1.00 0.00 H +HETATM31496 O T4P E5150 20.140 -16.468 29.000 1.00 0.00 O +HETATM31497 H1 T4P E5150 19.605 -15.766 29.372 1.00 0.00 H +HETATM31498 H2 T4P E5150 20.636 -16.811 29.743 1.00 0.00 H +HETATM31499 O T4P E5151 -23.166 28.654 39.429 1.00 0.00 O +HETATM31500 H1 T4P E5151 -22.810 29.409 39.897 1.00 0.00 H +HETATM31501 H2 T4P E5151 -22.954 28.820 38.510 1.00 0.00 H +HETATM31502 O T4P E5152 -6.356 22.868 -25.412 1.00 0.00 O +HETATM31503 H1 T4P E5152 -6.278 22.113 -25.996 1.00 0.00 H +HETATM31504 H2 T4P E5152 -5.453 23.151 -25.265 1.00 0.00 H +HETATM31505 O T4P E5153 20.201 12.608 29.193 1.00 0.00 O +HETATM31506 H1 T4P E5153 20.114 13.561 29.197 1.00 0.00 H +HETATM31507 H2 T4P E5153 21.100 12.450 28.907 1.00 0.00 H +HETATM31508 O T4P E5154 33.009 -17.435 -24.706 1.00 0.00 O +HETATM31509 H1 T4P E5154 32.581 -17.954 -24.024 1.00 0.00 H +HETATM31510 H2 T4P E5154 32.370 -17.401 -25.418 1.00 0.00 H +HETATM31511 O T4P E5155 11.470 -28.704 -26.633 1.00 0.00 O +HETATM31512 H1 T4P E5155 11.086 -29.564 -26.464 1.00 0.00 H +HETATM31513 H2 T4P E5155 12.394 -28.804 -26.404 1.00 0.00 H +HETATM31514 O T4P E5156 13.788 -25.449 -18.684 1.00 0.00 O +HETATM31515 H1 T4P E5156 13.199 -24.699 -18.774 1.00 0.00 H +HETATM31516 H2 T4P E5156 13.820 -25.617 -17.742 1.00 0.00 H 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1.00 0.00 H +HETATM31534 H2 T4P E5162 -24.661 -5.802 -35.253 1.00 0.00 H +HETATM31535 O T4P E5163 7.186 20.649 -45.284 1.00 0.00 O +HETATM31536 H1 T4P E5163 6.443 20.232 -45.720 1.00 0.00 H +HETATM31537 H2 T4P E5163 6.926 21.566 -45.193 1.00 0.00 H +HETATM31538 O T4P E5164 34.583 -5.703 26.347 1.00 0.00 O +HETATM31539 H1 T4P E5164 33.743 -5.503 25.934 1.00 0.00 H +HETATM31540 H2 T4P E5164 34.985 -4.849 26.501 1.00 0.00 H +HETATM31541 O T4P E5165 14.250 -26.675 -24.660 1.00 0.00 O +HETATM31542 H1 T4P E5165 13.770 -27.408 -24.275 1.00 0.00 H +HETATM31543 H2 T4P E5165 14.006 -26.689 -25.586 1.00 0.00 H +HETATM31544 O T4P E5166 5.918 -1.149 45.018 1.00 0.00 O +HETATM31545 H1 T4P E5166 6.431 -0.584 45.596 1.00 0.00 H +HETATM31546 H2 T4P E5166 5.017 -0.846 45.125 1.00 0.00 H +HETATM31547 O T4P E5167 -27.413 25.362 -45.546 1.00 0.00 O +HETATM31548 H1 T4P E5167 -26.671 25.966 -45.572 1.00 0.00 H +HETATM31549 H2 T4P E5167 -27.559 25.121 -46.461 1.00 0.00 H +HETATM31550 O T4P E5168 30.656 -26.210 35.350 1.00 0.00 O +HETATM31551 H1 T4P E5168 29.874 -25.664 35.438 1.00 0.00 H +HETATM31552 H2 T4P E5168 31.348 -25.711 35.783 1.00 0.00 H +HETATM31553 O T4P E5169 0.111 8.947 26.312 1.00 0.00 O +HETATM31554 H1 T4P E5169 0.169 8.270 25.638 1.00 0.00 H +HETATM31555 H2 T4P E5169 0.012 9.765 25.824 1.00 0.00 H +HETATM31556 O T4P E5170 24.902 -6.388 14.605 1.00 0.00 O +HETATM31557 H1 T4P E5170 24.232 -7.047 14.423 1.00 0.00 H +HETATM31558 H2 T4P E5170 25.648 -6.888 14.935 1.00 0.00 H +HETATM31559 O T4P E5171 -18.391 -14.437 -20.103 1.00 0.00 O +HETATM31560 H1 T4P E5171 -18.353 -15.171 -19.490 1.00 0.00 H +HETATM31561 H2 T4P E5171 -18.557 -14.842 -20.954 1.00 0.00 H +HETATM31562 O T4P E5172 33.465 5.265 34.271 1.00 0.00 O +HETATM31563 H1 T4P E5172 34.148 5.770 33.829 1.00 0.00 H +HETATM31564 H2 T4P E5172 33.924 4.805 34.974 1.00 0.00 H +HETATM31565 O T4P E5173 13.662 27.869 -23.413 1.00 0.00 O +HETATM31566 H1 T4P E5173 13.876 28.753 -23.711 1.00 0.00 H +HETATM31567 H2 T4P E5173 13.532 27.369 -24.219 1.00 0.00 H +HETATM31568 O T4P E5174 21.414 -28.460 44.626 1.00 0.00 O +HETATM31569 H1 T4P E5174 20.992 -28.022 43.887 1.00 0.00 H +HETATM31570 H2 T4P E5174 21.136 -27.959 45.392 1.00 0.00 H +HETATM31571 O T4P E5175 4.859 20.209 45.883 1.00 0.00 O +HETATM31572 H1 T4P E5175 4.857 21.075 45.475 1.00 0.00 H +HETATM31573 H2 T4P E5175 4.058 20.189 46.407 1.00 0.00 H +HETATM31574 O T4P E5176 -22.300 -7.024 17.455 1.00 0.00 O +HETATM31575 H1 T4P E5176 -22.345 -7.661 16.742 1.00 0.00 H +HETATM31576 H2 T4P E5176 -22.151 -7.552 18.239 1.00 0.00 H +HETATM31577 O T4P E5177 28.040 5.375 -11.346 1.00 0.00 O +HETATM31578 H1 T4P E5177 28.141 4.483 -11.679 1.00 0.00 H +HETATM31579 H2 T4P E5177 27.095 5.528 -11.352 1.00 0.00 H +HETATM31580 O T4P E5178 -3.368 26.864 -24.081 1.00 0.00 O +HETATM31581 H1 T4P E5178 -3.437 27.615 -23.493 1.00 0.00 H +HETATM31582 H2 T4P E5178 -2.456 26.869 -24.371 1.00 0.00 H +HETATM31583 O T4P E5179 12.220 -25.640 -21.224 1.00 0.00 O +HETATM31584 H1 T4P E5179 12.228 -24.978 -21.915 1.00 0.00 H +HETATM31585 H2 T4P E5179 12.822 -25.302 -20.561 1.00 0.00 H +HETATM31586 O T4P E5180 34.565 0.936 36.429 1.00 0.00 O +HETATM31587 H1 T4P E5180 34.259 0.253 35.833 1.00 0.00 H +HETATM31588 H2 T4P E5180 35.097 0.471 37.075 1.00 0.00 H +HETATM31589 O T4P E5181 -11.221 -18.645 -18.929 1.00 0.00 O +HETATM31590 H1 T4P E5181 -10.649 -19.407 -18.839 1.00 0.00 H +HETATM31591 H2 T4P E5181 -11.123 -18.379 -19.844 1.00 0.00 H +HETATM31592 O T4P E5182 8.611 -18.667 -32.912 1.00 0.00 O +HETATM31593 H1 T4P E5182 9.150 -18.468 -33.677 1.00 0.00 H +HETATM31594 H2 T4P E5182 8.336 -19.575 -33.042 1.00 0.00 H +HETATM31595 O T4P E5183 -19.474 -27.008 -29.861 1.00 0.00 O +HETATM31596 H1 T4P E5183 -19.722 -26.646 -29.010 1.00 0.00 H +HETATM31597 H2 T4P E5183 -19.561 -26.273 -30.468 1.00 0.00 H +HETATM31598 O T4P E5184 29.901 -13.141 34.643 1.00 0.00 O +HETATM31599 H1 T4P E5184 29.634 -12.288 34.985 1.00 0.00 H +HETATM31600 H2 T4P E5184 29.379 -13.255 33.848 1.00 0.00 H +HETATM31601 O T4P E5185 -16.703 16.999 -27.405 1.00 0.00 O +HETATM31602 H1 T4P E5185 -15.948 17.411 -26.984 1.00 0.00 H +HETATM31603 H2 T4P E5185 -17.428 17.150 -26.798 1.00 0.00 H +HETATM31604 O T4P E5186 9.922 25.155 30.267 1.00 0.00 O +HETATM31605 H1 T4P E5186 10.279 25.798 30.880 1.00 0.00 H +HETATM31606 H2 T4P E5186 10.282 25.408 29.418 1.00 0.00 H +HETATM31607 O T4P E5187 -33.004 -28.550 17.865 1.00 0.00 O +HETATM31608 H1 T4P E5187 -32.157 -28.562 18.311 1.00 0.00 H +HETATM31609 H2 T4P E5187 -32.838 -28.083 17.047 1.00 0.00 H +HETATM31610 O T4P E5188 -31.456 -18.885 -28.810 1.00 0.00 O +HETATM31611 H1 T4P E5188 -31.231 -19.546 -28.156 1.00 0.00 H +HETATM31612 H2 T4P E5188 -32.037 -19.338 -29.420 1.00 0.00 H +HETATM31613 O T4P E5189 16.945 -26.458 -18.066 1.00 0.00 O +HETATM31614 H1 T4P E5189 16.888 -25.762 -17.411 1.00 0.00 H +HETATM31615 H2 T4P E5189 17.735 -26.945 -17.830 1.00 0.00 H +HETATM31616 O T4P E5190 -18.971 13.530 44.417 1.00 0.00 O +HETATM31617 H1 T4P E5190 -19.719 13.835 44.930 1.00 0.00 H +HETATM31618 H2 T4P E5190 -19.322 12.822 43.878 1.00 0.00 H +HETATM31619 O T4P E5191 -25.829 -17.157 24.157 1.00 0.00 O +HETATM31620 H1 T4P E5191 -26.036 -17.108 25.090 1.00 0.00 H +HETATM31621 H2 T4P E5191 -25.732 -16.244 23.885 1.00 0.00 H +HETATM31622 O T4P E5192 21.522 16.564 12.541 1.00 0.00 O +HETATM31623 H1 T4P E5192 21.958 15.818 12.952 1.00 0.00 H +HETATM31624 H2 T4P E5192 20.764 16.184 12.097 1.00 0.00 H +HETATM31625 O T4P E5193 -34.558 -14.639 15.870 1.00 0.00 O +HETATM31626 H1 T4P E5193 -33.724 -14.656 16.339 1.00 0.00 H +HETATM31627 H2 T4P E5193 -34.857 -15.548 15.878 1.00 0.00 H +HETATM31628 O T4P E5194 18.762 25.875 -23.978 1.00 0.00 O +HETATM31629 H1 T4P E5194 19.154 26.713 -24.224 1.00 0.00 H +HETATM31630 H2 T4P E5194 18.072 26.106 -23.355 1.00 0.00 H +HETATM31631 O T4P E5195 -19.300 6.433 46.235 1.00 0.00 O +HETATM31632 H1 T4P E5195 -18.567 5.820 46.297 1.00 0.00 H +HETATM31633 H2 T4P E5195 -19.479 6.498 45.297 1.00 0.00 H +HETATM31634 O T4P E5196 32.426 -19.556 -38.949 1.00 0.00 O +HETATM31635 H1 T4P E5196 31.903 -20.113 -39.526 1.00 0.00 H +HETATM31636 H2 T4P E5196 31.784 -19.010 -38.496 1.00 0.00 H +HETATM31637 O T4P E5197 -3.111 1.272 -28.954 1.00 0.00 O +HETATM31638 H1 T4P E5197 -3.272 1.972 -29.588 1.00 0.00 H +HETATM31639 H2 T4P E5197 -3.811 1.368 -28.308 1.00 0.00 H +HETATM31640 O T4P E5198 -18.256 16.508 -14.446 1.00 0.00 O +HETATM31641 H1 T4P E5198 -18.481 17.413 -14.230 1.00 0.00 H +HETATM31642 H2 T4P E5198 -17.508 16.306 -13.884 1.00 0.00 H +HETATM31643 O T4P E5199 33.868 12.316 -15.905 1.00 0.00 O +HETATM31644 H1 T4P E5199 34.060 11.745 -16.649 1.00 0.00 H +HETATM31645 H2 T4P E5199 33.832 11.726 -15.153 1.00 0.00 H +HETATM31646 O T4P E5200 33.246 25.903 23.853 1.00 0.00 O +HETATM31647 H1 T4P E5200 32.628 25.482 24.450 1.00 0.00 H +HETATM31648 H2 T4P E5200 33.719 26.530 24.400 1.00 0.00 H +HETATM31649 O T4P E5201 -28.747 6.782 13.453 1.00 0.00 O +HETATM31650 H1 T4P E5201 -27.972 7.198 13.077 1.00 0.00 H 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1.026 -37.030 1.00 0.00 H +HETATM31685 O T4P E5213 -16.518 -16.516 -44.963 1.00 0.00 O +HETATM31686 H1 T4P E5213 -15.761 -16.042 -45.307 1.00 0.00 H +HETATM31687 H2 T4P E5213 -16.414 -17.407 -45.297 1.00 0.00 H +HETATM31688 O T4P E5214 20.249 -7.967 -34.187 1.00 0.00 O +HETATM31689 H1 T4P E5214 21.074 -7.633 -33.835 1.00 0.00 H +HETATM31690 H2 T4P E5214 19.572 -7.531 -33.669 1.00 0.00 H +HETATM31691 O T4P E5215 31.658 7.493 35.077 1.00 0.00 O +HETATM31692 H1 T4P E5215 32.220 6.865 34.623 1.00 0.00 H +HETATM31693 H2 T4P E5215 32.212 7.852 35.771 1.00 0.00 H +HETATM31694 O T4P E5216 15.131 -27.431 -9.105 1.00 0.00 O +HETATM31695 H1 T4P E5216 14.333 -27.905 -9.338 1.00 0.00 H +HETATM31696 H2 T4P E5216 15.777 -28.117 -8.935 1.00 0.00 H +HETATM31697 O T4P E5217 25.299 -27.821 -18.283 1.00 0.00 O +HETATM31698 H1 T4P E5217 25.435 -27.819 -19.231 1.00 0.00 H +HETATM31699 H2 T4P E5217 26.182 -27.797 -17.914 1.00 0.00 H +HETATM31700 O T4P E5218 -32.344 2.271 13.421 1.00 0.00 O +HETATM31701 H1 T4P E5218 -31.773 1.507 13.342 1.00 0.00 H +HETATM31702 H2 T4P E5218 -33.165 1.922 13.770 1.00 0.00 H +HETATM31703 O T4P E5219 -32.816 -15.703 20.718 1.00 0.00 O +HETATM31704 H1 T4P E5219 -33.648 -15.509 20.286 1.00 0.00 H +HETATM31705 H2 T4P E5219 -32.157 -15.272 20.174 1.00 0.00 H +HETATM31706 O T4P E5220 -28.624 18.772 36.803 1.00 0.00 O +HETATM31707 H1 T4P E5220 -29.504 18.902 36.448 1.00 0.00 H +HETATM31708 H2 T4P E5220 -28.741 18.805 37.752 1.00 0.00 H +HETATM31709 O T4P E5221 -22.940 20.654 -31.875 1.00 0.00 O +HETATM31710 H1 T4P E5221 -23.717 21.088 -31.523 1.00 0.00 H +HETATM31711 H2 T4P E5221 -23.203 20.363 -32.749 1.00 0.00 H +HETATM31712 O T4P E5222 12.735 -3.653 -32.966 1.00 0.00 O +HETATM31713 H1 T4P E5222 12.371 -3.113 -32.264 1.00 0.00 H +HETATM31714 H2 T4P E5222 13.328 -3.066 -33.436 1.00 0.00 H +HETATM31715 O T4P E5223 -31.783 -5.233 22.763 1.00 0.00 O +HETATM31716 H1 T4P E5223 -32.317 -4.478 23.013 1.00 0.00 H +HETATM31717 H2 T4P E5223 -32.292 -5.671 22.081 1.00 0.00 H +HETATM31718 O T4P E5224 -20.157 17.551 19.184 1.00 0.00 O +HETATM31719 H1 T4P E5224 -19.488 17.692 18.515 1.00 0.00 H +HETATM31720 H2 T4P E5224 -20.384 18.430 19.487 1.00 0.00 H +HETATM31721 O T4P E5225 11.609 21.517 -28.579 1.00 0.00 O +HETATM31722 H1 T4P E5225 11.733 20.963 -27.810 1.00 0.00 H +HETATM31723 H2 T4P E5225 12.129 22.300 -28.398 1.00 0.00 H +HETATM31724 O T4P E5226 -13.111 14.225 -18.286 1.00 0.00 O +HETATM31725 H1 T4P E5226 -12.853 15.119 -18.510 1.00 0.00 H +HETATM31726 H2 T4P E5226 -13.838 14.332 -17.673 1.00 0.00 H +HETATM31727 O T4P E5227 21.872 4.308 31.923 1.00 0.00 O +HETATM31728 H1 T4P E5227 22.704 3.835 31.924 1.00 0.00 H +HETATM31729 H2 T4P E5227 22.115 5.219 31.757 1.00 0.00 H +HETATM31730 O T4P E5228 -30.201 23.680 22.633 1.00 0.00 O +HETATM31731 H1 T4P E5228 -30.307 22.802 22.267 1.00 0.00 H +HETATM31732 H2 T4P E5228 -30.357 24.269 21.895 1.00 0.00 H +HETATM31733 O T4P E5229 27.457 6.990 22.674 1.00 0.00 O +HETATM31734 H1 T4P E5229 27.913 7.812 22.492 1.00 0.00 H +HETATM31735 H2 T4P E5229 27.531 6.489 21.862 1.00 0.00 H +HETATM31736 O T4P E5230 -34.555 8.539 -32.288 1.00 0.00 O +HETATM31737 H1 T4P E5230 -34.552 9.258 -31.656 1.00 0.00 H +HETATM31738 H2 T4P E5230 -35.000 7.823 -31.833 1.00 0.00 H +HETATM31739 O T4P E5231 30.861 1.083 -20.116 1.00 0.00 O +HETATM31740 H1 T4P E5231 31.707 1.172 -19.677 1.00 0.00 H +HETATM31741 H2 T4P E5231 30.852 1.788 -20.764 1.00 0.00 H +HETATM31742 O T4P E5232 -25.898 1.936 37.872 1.00 0.00 O +HETATM31743 H1 T4P E5232 -25.340 1.760 38.629 1.00 0.00 H +HETATM31744 H2 T4P E5232 -25.701 2.842 37.634 1.00 0.00 H +HETATM31745 O T4P E5233 7.079 -21.033 23.396 1.00 0.00 O +HETATM31746 H1 T4P E5233 6.498 -21.399 22.729 1.00 0.00 H +HETATM31747 H2 T4P E5233 7.239 -21.759 23.999 1.00 0.00 H +HETATM31748 O T4P E5234 -24.292 24.364 43.875 1.00 0.00 O +HETATM31749 H1 T4P E5234 -24.122 24.276 42.938 1.00 0.00 H +HETATM31750 H2 T4P E5234 -23.553 23.925 44.296 1.00 0.00 H +HETATM31751 O T4P E5235 25.949 14.139 -12.005 1.00 0.00 O +HETATM31752 H1 T4P E5235 26.524 14.873 -12.221 1.00 0.00 H +HETATM31753 H2 T4P E5235 25.284 14.517 -11.429 1.00 0.00 H +HETATM31754 O T4P E5236 -4.165 -21.754 31.344 1.00 0.00 O +HETATM31755 H1 T4P E5236 -4.165 -21.264 30.521 1.00 0.00 H +HETATM31756 H2 T4P E5236 -3.736 -22.582 31.129 1.00 0.00 H +HETATM31757 O T4P E5237 -30.594 -14.754 19.405 1.00 0.00 O +HETATM31758 H1 T4P E5237 -29.759 -14.292 19.474 1.00 0.00 H +HETATM31759 H2 T4P E5237 -30.353 -15.678 19.339 1.00 0.00 H +HETATM31760 O T4P E5238 -3.649 -6.476 -34.182 1.00 0.00 O +HETATM31761 H1 T4P E5238 -3.707 -5.521 -34.184 1.00 0.00 H +HETATM31762 H2 T4P E5238 -4.134 -6.744 -33.401 1.00 0.00 H +HETATM31763 O T4P E5239 23.540 28.945 22.928 1.00 0.00 O +HETATM31764 H1 T4P E5239 23.392 28.124 23.397 1.00 0.00 H +HETATM31765 H2 T4P E5239 24.266 28.755 22.334 1.00 0.00 H +HETATM31766 O T4P E5240 34.168 -24.323 -33.091 1.00 0.00 O +HETATM31767 H1 T4P E5240 33.681 -23.957 -33.829 1.00 0.00 H +HETATM31768 H2 T4P E5240 33.567 -24.257 -32.349 1.00 0.00 H +HETATM31769 O T4P E5241 12.396 -4.052 30.122 1.00 0.00 O +HETATM31770 H1 T4P E5241 13.339 -3.896 30.084 1.00 0.00 H +HETATM31771 H2 T4P E5241 12.062 -3.707 29.294 1.00 0.00 H +HETATM31772 O T4P E5242 4.688 -5.686 -23.435 1.00 0.00 O +HETATM31773 H1 T4P E5242 4.356 -5.644 -22.538 1.00 0.00 H +HETATM31774 H2 T4P E5242 4.119 -5.097 -23.930 1.00 0.00 H +HETATM31775 O T4P E5243 32.234 -1.867 -31.551 1.00 0.00 O +HETATM31776 H1 T4P E5243 32.802 -1.345 -30.985 1.00 0.00 H +HETATM31777 H2 T4P E5243 32.801 -2.141 -32.272 1.00 0.00 H +HETATM31778 O T4P E5244 20.423 -20.494 -20.968 1.00 0.00 O +HETATM31779 H1 T4P E5244 20.762 -21.353 -21.218 1.00 0.00 H +HETATM31780 H2 T4P E5244 20.268 -20.046 -21.800 1.00 0.00 H +HETATM31781 O T4P E5245 -16.775 -0.414 -37.260 1.00 0.00 O +HETATM31782 H1 T4P E5245 -17.102 -1.293 -37.455 1.00 0.00 H +HETATM31783 H2 T4P E5245 -17.138 0.136 -37.954 1.00 0.00 H +HETATM31784 O T4P E5246 24.674 15.746 20.220 1.00 0.00 O 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34.140 1.00 0.00 H +HETATM31802 O T4P E5252 -31.215 8.474 42.799 1.00 0.00 O +HETATM31803 H1 T4P E5252 -30.692 9.049 42.240 1.00 0.00 H +HETATM31804 H2 T4P E5252 -30.666 7.702 42.930 1.00 0.00 H +HETATM31805 O T4P E5253 27.647 -22.603 24.703 1.00 0.00 O +HETATM31806 H1 T4P E5253 27.778 -21.663 24.578 1.00 0.00 H +HETATM31807 H2 T4P E5253 26.730 -22.686 24.964 1.00 0.00 H +HETATM31808 O T4P E5254 17.764 18.279 -34.482 1.00 0.00 O +HETATM31809 H1 T4P E5254 18.193 18.680 -35.238 1.00 0.00 H +HETATM31810 H2 T4P E5254 17.818 17.338 -34.647 1.00 0.00 H +HETATM31811 O T4P E5255 23.176 -9.146 -29.264 1.00 0.00 O +HETATM31812 H1 T4P E5255 23.883 -8.505 -29.340 1.00 0.00 H +HETATM31813 H2 T4P E5255 22.435 -8.740 -29.713 1.00 0.00 H +HETATM31814 O T4P E5256 7.299 -28.868 -37.494 1.00 0.00 O +HETATM31815 H1 T4P E5256 6.483 -29.181 -37.103 1.00 0.00 H +HETATM31816 H2 T4P E5256 7.530 -29.540 -38.136 1.00 0.00 H +HETATM31817 O T4P E5257 -17.303 -28.062 -30.998 1.00 0.00 O +HETATM31818 H1 T4P E5257 -17.899 -27.482 -30.524 1.00 0.00 H +HETATM31819 H2 T4P E5257 -17.433 -27.838 -31.920 1.00 0.00 H +HETATM31820 O T4P E5258 -13.629 28.640 -35.522 1.00 0.00 O +HETATM31821 H1 T4P E5258 -13.032 27.916 -35.708 1.00 0.00 H +HETATM31822 H2 T4P E5258 -13.902 28.500 -34.615 1.00 0.00 H +HETATM31823 O T4P E5259 -17.379 -20.045 41.832 1.00 0.00 O +HETATM31824 H1 T4P E5259 -16.685 -20.353 42.415 1.00 0.00 H +HETATM31825 H2 T4P E5259 -17.713 -19.253 42.254 1.00 0.00 H +HETATM31826 O T4P E5260 31.922 8.312 44.364 1.00 0.00 O +HETATM31827 H1 T4P E5260 32.162 8.470 43.451 1.00 0.00 H +HETATM31828 H2 T4P E5260 32.427 8.957 44.860 1.00 0.00 H +HETATM31829 O T4P E5261 -1.229 -27.735 -39.140 1.00 0.00 O +HETATM31830 H1 T4P E5261 -2.057 -28.214 -39.108 1.00 0.00 H +HETATM31831 H2 T4P E5261 -1.460 -26.880 -39.504 1.00 0.00 H +HETATM31832 O T4P E5262 -2.371 -23.765 30.753 1.00 0.00 O +HETATM31833 H1 T4P E5262 -1.956 -23.878 29.898 1.00 0.00 H +HETATM31834 H2 T4P E5262 -2.915 -24.545 30.861 1.00 0.00 H 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1.00 0.00 H +HETATM31852 H2 T4P E5268 -23.699 -26.128 42.902 1.00 0.00 H +HETATM31853 O T4P E5269 -21.954 -8.717 -34.092 1.00 0.00 O +HETATM31854 H1 T4P E5269 -21.746 -9.456 -33.520 1.00 0.00 H +HETATM31855 H2 T4P E5269 -21.118 -8.266 -34.213 1.00 0.00 H +HETATM31856 O T4P E5270 -5.909 -13.102 -35.714 1.00 0.00 O +HETATM31857 H1 T4P E5270 -5.219 -12.804 -35.122 1.00 0.00 H +HETATM31858 H2 T4P E5270 -6.538 -13.547 -35.146 1.00 0.00 H +HETATM31859 O T4P E5271 14.705 23.479 27.997 1.00 0.00 O +HETATM31860 H1 T4P E5271 13.825 23.814 27.829 1.00 0.00 H +HETATM31861 H2 T4P E5271 15.077 23.334 27.127 1.00 0.00 H +HETATM31862 O T4P E5272 -7.301 -18.653 -23.742 1.00 0.00 O +HETATM31863 H1 T4P E5272 -7.692 -19.461 -23.410 1.00 0.00 H +HETATM31864 H2 T4P E5272 -7.750 -17.955 -23.266 1.00 0.00 H +HETATM31865 O T4P E5273 27.410 4.439 19.305 1.00 0.00 O +HETATM31866 H1 T4P E5273 28.118 3.926 19.696 1.00 0.00 H +HETATM31867 H2 T4P E5273 27.574 5.336 19.598 1.00 0.00 H +HETATM31868 O T4P E5274 5.960 -10.014 -45.903 1.00 0.00 O +HETATM31869 H1 T4P E5274 5.380 -10.773 -45.834 1.00 0.00 H +HETATM31870 H2 T4P E5274 5.590 -9.494 -46.616 1.00 0.00 H +HETATM31871 O T4P E5275 -32.250 21.855 -23.783 1.00 0.00 O +HETATM31872 H1 T4P E5275 -32.339 22.557 -24.428 1.00 0.00 H +HETATM31873 H2 T4P E5275 -31.979 22.301 -22.981 1.00 0.00 H +HETATM31874 O T4P E5276 30.442 -24.111 -24.803 1.00 0.00 O +HETATM31875 H1 T4P E5276 29.976 -23.500 -25.373 1.00 0.00 H +HETATM31876 H2 T4P E5276 30.528 -23.645 -23.971 1.00 0.00 H +HETATM31877 O T4P E5277 -17.018 24.151 -26.979 1.00 0.00 O +HETATM31878 H1 T4P E5277 -16.176 23.699 -27.033 1.00 0.00 H +HETATM31879 H2 T4P E5277 -16.800 25.030 -26.669 1.00 0.00 H +HETATM31880 O T4P E5278 -7.373 25.884 -45.107 1.00 0.00 O +HETATM31881 H1 T4P E5278 -6.822 26.532 -45.547 1.00 0.00 H +HETATM31882 H2 T4P E5278 -7.681 25.313 -45.810 1.00 0.00 H +HETATM31883 O T4P E5279 4.626 -6.740 -27.149 1.00 0.00 O +HETATM31884 H1 T4P E5279 4.751 -6.343 -28.011 1.00 0.00 H 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1.00 0.00 O +HETATM31902 H1 T4P E5285 30.920 28.472 21.446 1.00 0.00 H +HETATM31903 H2 T4P E5285 30.883 27.424 22.538 1.00 0.00 H +HETATM31904 O T4P E5286 24.092 -2.992 33.442 1.00 0.00 O +HETATM31905 H1 T4P E5286 25.029 -3.153 33.550 1.00 0.00 H +HETATM31906 H2 T4P E5286 23.871 -3.408 32.609 1.00 0.00 H +HETATM31907 O T4P E5287 -22.795 26.277 -36.995 1.00 0.00 O +HETATM31908 H1 T4P E5287 -22.170 26.340 -37.717 1.00 0.00 H +HETATM31909 H2 T4P E5287 -23.048 27.183 -36.817 1.00 0.00 H +HETATM31910 O T4P E5288 12.128 17.216 26.476 1.00 0.00 O +HETATM31911 H1 T4P E5288 11.980 17.564 27.355 1.00 0.00 H +HETATM31912 H2 T4P E5288 12.949 16.729 26.546 1.00 0.00 H +HETATM31913 O T4P E5289 -18.040 27.029 31.057 1.00 0.00 O +HETATM31914 H1 T4P E5289 -18.134 26.955 32.007 1.00 0.00 H +HETATM31915 H2 T4P E5289 -18.330 26.181 30.720 1.00 0.00 H +HETATM31916 O T4P E5290 21.537 -29.166 21.422 1.00 0.00 O +HETATM31917 H1 T4P E5290 22.190 -29.598 21.974 1.00 0.00 H +HETATM31918 H2 T4P E5290 20.721 -29.630 21.609 1.00 0.00 H +HETATM31919 O T4P E5291 28.336 12.153 -23.349 1.00 0.00 O +HETATM31920 H1 T4P E5291 28.960 11.701 -23.916 1.00 0.00 H +HETATM31921 H2 T4P E5291 28.144 11.523 -22.654 1.00 0.00 H +HETATM31922 O T4P E5292 25.309 -28.177 16.648 1.00 0.00 O +HETATM31923 H1 T4P E5292 25.584 -27.267 16.759 1.00 0.00 H +HETATM31924 H2 T4P E5292 25.893 -28.675 17.221 1.00 0.00 H +HETATM31925 O T4P E5293 26.123 9.786 33.934 1.00 0.00 O +HETATM31926 H1 T4P E5293 26.544 10.462 34.465 1.00 0.00 H +HETATM31927 H2 T4P E5293 25.187 9.900 34.099 1.00 0.00 H +HETATM31928 O T4P E5294 7.915 4.386 -43.674 1.00 0.00 O +HETATM31929 H1 T4P E5294 8.442 4.130 -44.430 1.00 0.00 H +HETATM31930 H2 T4P E5294 7.526 3.568 -43.365 1.00 0.00 H +HETATM31931 O T4P E5295 -26.111 -5.486 25.808 1.00 0.00 O +HETATM31932 H1 T4P E5295 -25.259 -5.675 25.413 1.00 0.00 H +HETATM31933 H2 T4P E5295 -26.743 -5.903 25.223 1.00 0.00 H +HETATM31934 O T4P E5296 -0.342 -24.973 -30.656 1.00 0.00 O +HETATM31935 H1 T4P E5296 -0.548 -24.137 -31.075 1.00 0.00 H +HETATM31936 H2 T4P E5296 0.400 -25.316 -31.156 1.00 0.00 H +HETATM31937 O T4P E5297 7.507 -7.985 23.470 1.00 0.00 O +HETATM31938 H1 T4P E5297 7.341 -8.852 23.100 1.00 0.00 H +HETATM31939 H2 T4P E5297 6.917 -7.402 22.992 1.00 0.00 H +HETATM31940 O T4P E5298 34.407 27.112 -30.377 1.00 0.00 O +HETATM31941 H1 T4P E5298 34.870 27.924 -30.584 1.00 0.00 H +HETATM31942 H2 T4P E5298 34.406 27.073 -29.421 1.00 0.00 H +HETATM31943 O T4P E5299 2.634 -26.233 -18.524 1.00 0.00 O +HETATM31944 H1 T4P E5299 3.022 -26.756 -17.824 1.00 0.00 H +HETATM31945 H2 T4P E5299 3.138 -25.419 -18.524 1.00 0.00 H +HETATM31946 O T4P E5300 32.711 -23.964 28.550 1.00 0.00 O +HETATM31947 H1 T4P E5300 33.392 -23.528 29.062 1.00 0.00 H +HETATM31948 H2 T4P E5300 33.121 -24.135 27.702 1.00 0.00 H +HETATM31949 O T4P E5301 -29.463 -15.031 31.901 1.00 0.00 O +HETATM31950 H1 T4P E5301 -29.592 -15.043 32.850 1.00 0.00 H +HETATM31951 H2 T4P E5301 -28.513 -15.060 31.788 1.00 0.00 H +HETATM31952 O T4P E5302 -25.703 -26.718 -36.988 1.00 0.00 O +HETATM31953 H1 T4P E5302 -26.109 -25.876 -36.780 1.00 0.00 H +HETATM31954 H2 T4P E5302 -26.341 -27.160 -37.549 1.00 0.00 H +HETATM31955 O T4P E5303 0.982 -7.588 34.398 1.00 0.00 O +HETATM31956 H1 T4P E5303 1.256 -8.505 34.372 1.00 0.00 H +HETATM31957 H2 T4P E5303 0.026 -7.623 34.363 1.00 0.00 H +HETATM31958 O T4P E5304 21.846 12.788 -30.011 1.00 0.00 O +HETATM31959 H1 T4P E5304 22.051 12.118 -30.663 1.00 0.00 H +HETATM31960 H2 T4P E5304 22.695 13.030 -29.641 1.00 0.00 H +HETATM31961 O T4P E5305 -6.671 22.063 28.628 1.00 0.00 O +HETATM31962 H1 T4P E5305 -6.947 22.782 28.059 1.00 0.00 H +HETATM31963 H2 T4P E5305 -6.781 22.404 29.516 1.00 0.00 H +HETATM31964 O T4P E5306 -15.657 -25.965 -23.297 1.00 0.00 O +HETATM31965 H1 T4P E5306 -16.171 -26.585 -22.779 1.00 0.00 H +HETATM31966 H2 T4P E5306 -14.884 -26.461 -23.566 1.00 0.00 H +HETATM31967 O T4P E5307 6.447 -20.872 26.648 1.00 0.00 O +HETATM31968 H1 T4P E5307 6.728 -20.108 26.144 1.00 0.00 H +HETATM31969 H2 T4P E5307 5.750 -21.264 26.121 1.00 0.00 H +HETATM31970 O T4P E5308 -26.512 17.802 35.312 1.00 0.00 O +HETATM31971 H1 T4P E5308 -27.215 17.810 35.961 1.00 0.00 H +HETATM31972 H2 T4P E5308 -26.072 18.645 35.426 1.00 0.00 H +HETATM31973 O T4P E5309 -33.176 0.071 -12.615 1.00 0.00 O +HETATM31974 H1 T4P E5309 -33.566 -0.743 -12.932 1.00 0.00 H +HETATM31975 H2 T4P E5309 -32.829 0.493 -13.400 1.00 0.00 H +HETATM31976 O T4P E5310 -5.317 -26.965 19.774 1.00 0.00 O +HETATM31977 H1 T4P E5310 -4.436 -26.679 20.018 1.00 0.00 H +HETATM31978 H2 T4P E5310 -5.247 -27.917 19.696 1.00 0.00 H +HETATM31979 O T4P E5311 4.401 -11.286 25.870 1.00 0.00 O +HETATM31980 H1 T4P E5311 4.619 -11.091 24.959 1.00 0.00 H +HETATM31981 H2 T4P E5311 5.042 -10.791 26.381 1.00 0.00 H +HETATM31982 O T4P E5312 -32.618 4.209 -37.688 1.00 0.00 O +HETATM31983 H1 T4P E5312 -33.098 3.922 -38.465 1.00 0.00 H +HETATM31984 H2 T4P E5312 -32.837 3.561 -37.018 1.00 0.00 H +HETATM31985 O T4P E5313 -17.930 -13.732 -24.603 1.00 0.00 O +HETATM31986 H1 T4P E5313 -17.979 -13.946 -25.534 1.00 0.00 H +HETATM31987 H2 T4P E5313 -18.210 -14.532 -24.158 1.00 0.00 H +HETATM31988 O T4P E5314 22.073 -14.412 16.043 1.00 0.00 O +HETATM31989 H1 T4P E5314 22.171 -14.204 16.972 1.00 0.00 H +HETATM31990 H2 T4P E5314 21.604 -13.661 15.677 1.00 0.00 H +HETATM31991 O T4P E5315 -33.882 -12.872 28.479 1.00 0.00 O +HETATM31992 H1 T4P E5315 -33.787 -13.530 27.791 1.00 0.00 H +HETATM31993 H2 T4P E5315 -33.733 -12.037 28.036 1.00 0.00 H +HETATM31994 O T4P E5316 21.988 14.958 38.084 1.00 0.00 O +HETATM31995 H1 T4P E5316 21.978 15.867 37.784 1.00 0.00 H +HETATM31996 H2 T4P E5316 21.313 14.526 37.560 1.00 0.00 H +HETATM31997 O T4P E5317 15.444 11.634 21.623 1.00 0.00 O +HETATM31998 H1 T4P E5317 15.653 10.758 21.301 1.00 0.00 H +HETATM31999 H2 T4P E5317 14.806 11.975 20.996 1.00 0.00 H +HETATM32000 O T4P E5318 8.677 -9.312 -45.833 1.00 0.00 O +HETATM32001 H1 T4P E5318 8.899 -9.896 -45.107 1.00 0.00 H +HETATM32002 H2 T4P E5318 7.731 -9.409 -45.940 1.00 0.00 H +HETATM32003 O T4P E5319 33.482 -13.720 -35.601 1.00 0.00 O +HETATM32004 H1 T4P E5319 32.846 -14.302 -36.017 1.00 0.00 H +HETATM32005 H2 T4P E5319 33.172 -12.838 -35.810 1.00 0.00 H +HETATM32006 O T4P E5320 26.427 -9.753 -35.386 1.00 0.00 O +HETATM32007 H1 T4P E5320 25.589 -9.306 -35.503 1.00 0.00 H +HETATM32008 H2 T4P E5320 26.267 -10.646 -35.690 1.00 0.00 H +HETATM32009 O T4P E5321 -33.209 3.425 -40.450 1.00 0.00 O +HETATM32010 H1 T4P E5321 -34.003 2.914 -40.603 1.00 0.00 H +HETATM32011 H2 T4P E5321 -32.493 2.813 -40.620 1.00 0.00 H +HETATM32012 O T4P E5322 11.672 -18.288 -24.185 1.00 0.00 O +HETATM32013 H1 T4P E5322 11.738 -19.167 -24.557 1.00 0.00 H +HETATM32014 H2 T4P E5322 10.988 -18.360 -23.519 1.00 0.00 H +HETATM32015 O T4P E5323 -27.655 -0.382 -20.224 1.00 0.00 O +HETATM32016 H1 T4P E5323 -27.382 -0.998 -19.544 1.00 0.00 H +HETATM32017 H2 T4P E5323 -28.406 -0.804 -20.642 1.00 0.00 H +HETATM32018 O T4P E5324 28.712 -24.806 26.277 1.00 0.00 O 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0.00 H +HETATM32036 O T4P E5330 17.837 17.599 28.659 1.00 0.00 O +HETATM32037 H1 T4P E5330 17.596 18.499 28.877 1.00 0.00 H +HETATM32038 H2 T4P E5330 18.724 17.667 28.306 1.00 0.00 H +HETATM32039 O T4P E5331 -19.903 -25.974 -32.582 1.00 0.00 O +HETATM32040 H1 T4P E5331 -19.423 -25.498 -33.259 1.00 0.00 H +HETATM32041 H2 T4P E5331 -20.011 -26.856 -32.938 1.00 0.00 H +HETATM32042 O T4P E5332 -31.734 -10.395 20.678 1.00 0.00 O +HETATM32043 H1 T4P E5332 -32.067 -10.446 21.574 1.00 0.00 H +HETATM32044 H2 T4P E5332 -30.832 -10.711 20.740 1.00 0.00 H +HETATM32045 O T4P E5333 33.003 -4.370 32.945 1.00 0.00 O +HETATM32046 H1 T4P E5333 33.816 -4.862 32.827 1.00 0.00 H +HETATM32047 H2 T4P E5333 33.159 -3.537 32.499 1.00 0.00 H +HETATM32048 O T4P E5334 23.617 -20.640 17.275 1.00 0.00 O +HETATM32049 H1 T4P E5334 22.719 -20.929 17.112 1.00 0.00 H +HETATM32050 H2 T4P E5334 23.527 -19.734 17.569 1.00 0.00 H +HETATM32051 O T4P E5335 -24.118 -7.255 -24.766 1.00 0.00 O +HETATM32052 H1 T4P E5335 -24.488 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34.051 29.240 34.179 1.00 0.00 O +HETATM32304 H1 T4P E5419 33.375 28.579 34.328 1.00 0.00 H +HETATM32305 H2 T4P E5419 33.941 29.862 34.899 1.00 0.00 H +HETATM32306 O T4P E5420 -10.652 -9.681 -26.875 1.00 0.00 O +HETATM32307 H1 T4P E5420 -9.863 -9.715 -26.334 1.00 0.00 H +HETATM32308 H2 T4P E5420 -11.370 -9.598 -26.247 1.00 0.00 H +HETATM32309 O T4P E5421 27.048 -24.479 -20.696 1.00 0.00 O +HETATM32310 H1 T4P E5421 26.428 -24.669 -19.992 1.00 0.00 H +HETATM32311 H2 T4P E5421 27.147 -23.527 -20.677 1.00 0.00 H +HETATM32312 O T4P E5422 26.222 -24.217 38.829 1.00 0.00 O +HETATM32313 H1 T4P E5422 25.839 -23.348 38.947 1.00 0.00 H +HETATM32314 H2 T4P E5422 25.539 -24.822 39.120 1.00 0.00 H +HETATM32315 O T4P E5423 16.397 15.675 44.251 1.00 0.00 O +HETATM32316 H1 T4P E5423 15.597 15.557 44.763 1.00 0.00 H +HETATM32317 H2 T4P E5423 17.107 15.528 44.877 1.00 0.00 H +HETATM32318 O T4P E5424 -0.885 5.471 22.789 1.00 0.00 O +HETATM32319 H1 T4P E5424 -1.605 5.013 22.356 1.00 0.00 H +HETATM32320 H2 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T4P E5430 -1.105 22.218 -44.640 1.00 0.00 H +HETATM32338 H2 T4P E5430 -1.423 23.398 -45.534 1.00 0.00 H +HETATM32339 O T4P E5431 13.027 15.057 -17.789 1.00 0.00 O +HETATM32340 H1 T4P E5431 13.375 15.672 -17.143 1.00 0.00 H +HETATM32341 H2 T4P E5431 13.802 14.624 -18.148 1.00 0.00 H +HETATM32342 O T4P E5432 31.113 12.271 32.244 1.00 0.00 O +HETATM32343 H1 T4P E5432 31.489 11.398 32.358 1.00 0.00 H +HETATM32344 H2 T4P E5432 30.317 12.125 31.733 1.00 0.00 H +HETATM32345 O T4P E5433 28.521 22.544 -10.057 1.00 0.00 O +HETATM32346 H1 T4P E5433 28.952 23.398 -10.043 1.00 0.00 H +HETATM32347 H2 T4P E5433 29.067 21.991 -9.497 1.00 0.00 H +HETATM32348 O T4P E5434 -13.069 22.484 46.401 1.00 0.00 O +HETATM32349 H1 T4P E5434 -12.720 22.741 45.548 1.00 0.00 H +HETATM32350 H2 T4P E5434 -12.511 21.758 46.680 1.00 0.00 H +HETATM32351 O T4P E5435 -25.588 -29.255 -36.560 1.00 0.00 O +HETATM32352 H1 T4P E5435 -25.380 -28.323 -36.493 1.00 0.00 H +HETATM32353 H2 T4P E5435 -25.974 -29.476 -35.713 1.00 0.00 H 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-35.333 1.00 0.00 H +HETATM32371 H2 T4P E5441 35.083 24.227 -36.071 1.00 0.00 H +HETATM32372 O T4P E5442 -16.651 24.444 -38.506 1.00 0.00 O +HETATM32373 H1 T4P E5442 -16.566 25.290 -38.947 1.00 0.00 H +HETATM32374 H2 T4P E5442 -16.538 23.798 -39.203 1.00 0.00 H +HETATM32375 O T4P E5443 20.309 25.706 -36.362 1.00 0.00 O +HETATM32376 H1 T4P E5443 20.660 25.227 -35.611 1.00 0.00 H +HETATM32377 H2 T4P E5443 21.031 26.265 -36.648 1.00 0.00 H +HETATM32378 O T4P E5444 -11.305 2.524 -33.202 1.00 0.00 O +HETATM32379 H1 T4P E5444 -10.433 2.262 -32.908 1.00 0.00 H +HETATM32380 H2 T4P E5444 -11.554 1.855 -33.840 1.00 0.00 H +HETATM32381 O T4P E5445 24.902 24.920 44.353 1.00 0.00 O +HETATM32382 H1 T4P E5445 24.759 25.431 43.556 1.00 0.00 H +HETATM32383 H2 T4P E5445 24.229 25.229 44.960 1.00 0.00 H +HETATM32384 O T4P E5446 -24.554 2.961 21.276 1.00 0.00 O +HETATM32385 H1 T4P E5446 -24.869 3.190 20.401 1.00 0.00 H +HETATM32386 H2 T4P E5446 -24.427 2.013 21.245 1.00 0.00 H +HETATM32387 O T4P E5447 10.435 18.312 21.804 1.00 0.00 O +HETATM32388 H1 T4P E5447 9.929 18.196 21.001 1.00 0.00 H +HETATM32389 H2 T4P E5447 9.856 18.003 22.500 1.00 0.00 H +HETATM32390 O T4P E5448 -33.972 -17.927 -17.981 1.00 0.00 O +HETATM32391 H1 T4P E5448 -34.618 -17.442 -18.495 1.00 0.00 H +HETATM32392 H2 T4P E5448 -33.413 -18.347 -18.634 1.00 0.00 H +HETATM32393 O T4P E5449 29.680 -0.951 -11.594 1.00 0.00 O +HETATM32394 H1 T4P E5449 29.757 -1.507 -12.370 1.00 0.00 H +HETATM32395 H2 T4P E5449 28.960 -0.354 -11.798 1.00 0.00 H +HETATM32396 O T4P E5450 29.003 20.803 -24.688 1.00 0.00 O +HETATM32397 H1 T4P E5450 28.686 21.477 -25.288 1.00 0.00 H +HETATM32398 H2 T4P E5450 29.289 20.089 -25.257 1.00 0.00 H +HETATM32399 O T4P E5451 2.205 7.119 -39.126 1.00 0.00 O +HETATM32400 H1 T4P E5451 1.611 7.690 -39.613 1.00 0.00 H +HETATM32401 H2 T4P E5451 1.676 6.351 -38.911 1.00 0.00 H +HETATM32402 O T4P E5452 -4.744 18.685 22.985 1.00 0.00 O +HETATM32403 H1 T4P E5452 -5.603 18.514 22.600 1.00 0.00 H +HETATM32404 H2 T4P E5452 -4.906 19.360 23.644 1.00 0.00 H +HETATM32405 O T4P E5453 6.535 27.876 44.293 1.00 0.00 O +HETATM32406 H1 T4P E5453 6.586 27.272 45.034 1.00 0.00 H +HETATM32407 H2 T4P E5453 7.279 27.639 43.739 1.00 0.00 H +HETATM32408 O T4P E5454 -2.392 13.168 -20.169 1.00 0.00 O +HETATM32409 H1 T4P E5454 -1.701 13.830 -20.191 1.00 0.00 H +HETATM32410 H2 T4P E5454 -2.078 12.473 -20.748 1.00 0.00 H +HETATM32411 O T4P E5455 -23.280 -10.715 22.778 1.00 0.00 O +HETATM32412 H1 T4P E5455 -23.475 -10.929 21.866 1.00 0.00 H +HETATM32413 H2 T4P E5455 -23.411 -9.769 22.836 1.00 0.00 H +HETATM32414 O T4P E5456 -32.222 -11.803 33.634 1.00 0.00 O +HETATM32415 H1 T4P E5456 -32.272 -11.031 34.197 1.00 0.00 H +HETATM32416 H2 T4P E5456 -31.631 -11.547 32.926 1.00 0.00 H +HETATM32417 O T4P E5457 25.414 9.705 -29.226 1.00 0.00 O +HETATM32418 H1 T4P E5457 24.992 9.921 -28.394 1.00 0.00 H +HETATM32419 H2 T4P E5457 25.509 8.753 -29.206 1.00 0.00 H +HETATM32420 O T4P E5458 -20.052 -2.273 15.690 1.00 0.00 O 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T4P E5508 25.835 13.490 33.291 1.00 0.00 H +HETATM32572 H2 T4P E5508 24.891 14.327 34.127 1.00 0.00 H +HETATM32573 O T4P E5509 -0.154 24.071 -17.244 1.00 0.00 O +HETATM32574 H1 T4P E5509 0.696 24.395 -16.948 1.00 0.00 H +HETATM32575 H2 T4P E5509 -0.429 24.696 -17.914 1.00 0.00 H +HETATM32576 O T4P E5510 -32.500 -22.566 -15.484 1.00 0.00 O +HETATM32577 H1 T4P E5510 -33.152 -22.472 -14.789 1.00 0.00 H +HETATM32578 H2 T4P E5510 -32.822 -23.292 -16.018 1.00 0.00 H +HETATM32579 O T4P E5511 14.714 -18.390 -41.873 1.00 0.00 O +HETATM32580 H1 T4P E5511 14.013 -17.814 -42.179 1.00 0.00 H +HETATM32581 H2 T4P E5511 15.464 -18.171 -42.427 1.00 0.00 H +HETATM32582 O T4P E5512 13.087 -26.828 -34.802 1.00 0.00 O +HETATM32583 H1 T4P E5512 12.814 -25.938 -35.025 1.00 0.00 H +HETATM32584 H2 T4P E5512 13.679 -26.718 -34.058 1.00 0.00 H +HETATM32585 O T4P E5513 -34.201 -27.504 30.090 1.00 0.00 O +HETATM32586 H1 T4P E5513 -34.156 -26.559 29.942 1.00 0.00 H +HETATM32587 H2 T4P E5513 -35.099 -27.659 30.383 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E5653 -30.579 -6.559 37.952 1.00 0.00 H +HETATM33007 H2 T4P E5653 -31.275 -5.464 38.732 1.00 0.00 H +HETATM33008 O T4P E5654 -19.041 -15.477 23.900 1.00 0.00 O +HETATM33009 H1 T4P E5654 -18.830 -14.729 23.341 1.00 0.00 H +HETATM33010 H2 T4P E5654 -18.708 -15.232 24.764 1.00 0.00 H +HETATM33011 O T4P E5655 -13.628 1.751 -41.046 1.00 0.00 O +HETATM33012 H1 T4P E5655 -13.145 1.852 -41.866 1.00 0.00 H +HETATM33013 H2 T4P E5655 -14.523 1.550 -41.317 1.00 0.00 H +HETATM33014 O T4P E5656 12.710 3.319 -37.442 1.00 0.00 O +HETATM33015 H1 T4P E5656 12.588 3.607 -38.346 1.00 0.00 H +HETATM33016 H2 T4P E5656 13.261 3.995 -37.047 1.00 0.00 H +HETATM33017 O T4P E5657 11.754 -3.967 27.445 1.00 0.00 O +HETATM33018 H1 T4P E5657 12.158 -3.616 26.652 1.00 0.00 H +HETATM33019 H2 T4P E5657 10.881 -3.576 27.463 1.00 0.00 H +HETATM33020 O T4P E5658 3.765 -5.801 37.028 1.00 0.00 O +HETATM33021 H1 T4P E5658 4.632 -5.606 37.384 1.00 0.00 H +HETATM33022 H2 T4P E5658 3.717 -6.757 37.024 1.00 0.00 H +HETATM33023 O T4P E5659 -20.838 14.641 16.761 1.00 0.00 O +HETATM33024 H1 T4P E5659 -20.234 15.087 16.167 1.00 0.00 H +HETATM33025 H2 T4P E5659 -21.082 13.840 16.298 1.00 0.00 H +HETATM33026 O T4P E5660 22.739 15.535 -30.743 1.00 0.00 O +HETATM33027 H1 T4P E5660 21.933 15.621 -30.234 1.00 0.00 H +HETATM33028 H2 T4P E5660 22.449 15.231 -31.603 1.00 0.00 H +HETATM33029 O T4P E5661 -18.144 17.894 17.186 1.00 0.00 O +HETATM33030 H1 T4P E5661 -18.165 17.281 16.451 1.00 0.00 H +HETATM33031 H2 T4P E5661 -17.265 18.272 17.157 1.00 0.00 H +HETATM33032 O T4P E5662 21.512 -27.173 23.482 1.00 0.00 O +HETATM33033 H1 T4P E5662 21.401 -28.004 23.020 1.00 0.00 H +HETATM33034 H2 T4P E5662 22.421 -26.924 23.313 1.00 0.00 H +HETATM33035 O T4P E5663 33.330 -18.092 40.204 1.00 0.00 O +HETATM33036 H1 T4P E5663 32.509 -18.304 39.759 1.00 0.00 H +HETATM33037 H2 T4P E5663 33.961 -18.722 39.857 1.00 0.00 H +HETATM33038 O T4P E5664 -22.947 16.818 24.525 1.00 0.00 O +HETATM33039 H1 T4P E5664 -22.013 16.699 24.698 1.00 0.00 H 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-43.811 1.00 0.00 O +HETATM33057 H1 T4P E5670 -33.349 0.297 -42.948 1.00 0.00 H +HETATM33058 H2 T4P E5670 -32.702 0.308 -44.317 1.00 0.00 H +HETATM33059 O T4P E5671 -3.001 12.285 22.100 1.00 0.00 O +HETATM33060 H1 T4P E5671 -2.909 13.052 22.665 1.00 0.00 H +HETATM33061 H2 T4P E5671 -3.500 11.658 22.624 1.00 0.00 H +HETATM33062 O T4P E5672 18.203 26.820 -15.238 1.00 0.00 O +HETATM33063 H1 T4P E5672 17.636 26.124 -14.906 1.00 0.00 H +HETATM33064 H2 T4P E5672 18.989 26.770 -14.694 1.00 0.00 H +HETATM33065 O T4P E5673 34.500 -29.682 27.903 1.00 0.00 O +HETATM33066 H1 T4P E5673 35.446 -29.801 27.812 1.00 0.00 H +HETATM33067 H2 T4P E5673 34.315 -28.866 27.438 1.00 0.00 H +HETATM33068 O T4P E5674 -9.949 -21.504 34.576 1.00 0.00 O +HETATM33069 H1 T4P E5674 -9.084 -21.124 34.732 1.00 0.00 H +HETATM33070 H2 T4P E5674 -9.967 -21.677 33.634 1.00 0.00 H +HETATM33071 O T4P E5675 -22.466 -2.709 39.543 1.00 0.00 O +HETATM33072 H1 T4P E5675 -22.366 -3.611 39.239 1.00 0.00 H +HETATM33073 H2 T4P E5675 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T4P E5681 -29.709 -28.887 19.276 1.00 0.00 H +HETATM33091 H2 T4P E5681 -30.784 -29.601 20.068 1.00 0.00 H +HETATM33092 O T4P E5682 -30.412 20.570 40.800 1.00 0.00 O +HETATM33093 H1 T4P E5682 -30.864 21.414 40.766 1.00 0.00 H +HETATM33094 H2 T4P E5682 -30.202 20.448 41.726 1.00 0.00 H +HETATM33095 O T4P E5683 -11.263 26.108 39.396 1.00 0.00 O +HETATM33096 H1 T4P E5683 -12.110 25.934 39.807 1.00 0.00 H +HETATM33097 H2 T4P E5683 -10.721 25.358 39.638 1.00 0.00 H +HETATM33098 O T4P E5684 18.528 12.522 21.812 1.00 0.00 O +HETATM33099 H1 T4P E5684 18.098 12.748 22.637 1.00 0.00 H +HETATM33100 H2 T4P E5684 19.209 13.186 21.707 1.00 0.00 H +HETATM33101 O T4P E5685 -22.877 -3.799 -45.195 1.00 0.00 O +HETATM33102 H1 T4P E5685 -22.261 -4.405 -44.785 1.00 0.00 H +HETATM33103 H2 T4P E5685 -23.267 -3.319 -44.464 1.00 0.00 H +HETATM33104 O T4P E5686 11.573 3.934 39.172 1.00 0.00 O +HETATM33105 H1 T4P E5686 11.541 4.881 39.311 1.00 0.00 H +HETATM33106 H2 T4P E5686 11.715 3.835 38.231 1.00 0.00 H 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E5698 13.013 23.190 -40.278 1.00 0.00 O +HETATM33141 H1 T4P E5698 12.768 22.275 -40.140 1.00 0.00 H +HETATM33142 H2 T4P E5698 12.429 23.492 -40.974 1.00 0.00 H +HETATM33143 O T4P E5699 21.339 -17.537 -17.837 1.00 0.00 O +HETATM33144 H1 T4P E5699 22.104 -17.189 -17.378 1.00 0.00 H +HETATM33145 H2 T4P E5699 20.896 -18.081 -17.186 1.00 0.00 H +HETATM33146 O T4P E5700 9.610 -22.769 -19.859 1.00 0.00 O +HETATM33147 H1 T4P E5700 9.165 -22.913 -19.024 1.00 0.00 H +HETATM33148 H2 T4P E5700 10.530 -22.960 -19.676 1.00 0.00 H +HETATM33149 O T4P E5701 -17.063 28.767 22.691 1.00 0.00 O +HETATM33150 H1 T4P E5701 -16.682 28.897 21.823 1.00 0.00 H +HETATM33151 H2 T4P E5701 -16.310 28.731 23.281 1.00 0.00 H +HETATM33152 O T4P E5702 32.176 15.528 46.090 1.00 0.00 O +HETATM33153 H1 T4P E5702 32.732 15.443 45.316 1.00 0.00 H +HETATM33154 H2 T4P E5702 31.575 16.242 45.877 1.00 0.00 H +HETATM33155 O T4P E5703 24.876 -25.090 -41.064 1.00 0.00 O +HETATM33156 H1 T4P E5703 23.936 -25.188 -40.914 1.00 0.00 H 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18.062 8.229 24.181 1.00 0.00 H +HETATM33191 O T4P E5715 -7.009 -16.554 46.209 1.00 0.00 O +HETATM33192 H1 T4P E5715 -7.360 -17.428 46.041 1.00 0.00 H +HETATM33193 H2 T4P E5715 -7.154 -16.076 45.392 1.00 0.00 H +HETATM33194 O T4P E5716 -25.353 -23.044 17.357 1.00 0.00 O +HETATM33195 H1 T4P E5716 -26.248 -22.716 17.444 1.00 0.00 H +HETATM33196 H2 T4P E5716 -25.145 -22.930 16.430 1.00 0.00 H +HETATM33197 O T4P E5717 28.088 -0.542 -14.468 1.00 0.00 O +HETATM33198 H1 T4P E5717 28.509 -1.393 -14.348 1.00 0.00 H +HETATM33199 H2 T4P E5717 28.015 -0.182 -13.584 1.00 0.00 H +HETATM33200 O T4P E5718 29.793 -7.516 -37.472 1.00 0.00 O +HETATM33201 H1 T4P E5718 30.678 -7.492 -37.836 1.00 0.00 H +HETATM33202 H2 T4P E5718 29.222 -7.334 -38.218 1.00 0.00 H +HETATM33203 O T4P E5719 30.375 8.768 -25.725 1.00 0.00 O +HETATM33204 H1 T4P E5719 30.690 9.238 -26.498 1.00 0.00 H +HETATM33205 H2 T4P E5719 30.855 7.940 -25.736 1.00 0.00 H +HETATM33206 O T4P E5720 10.774 28.641 -39.642 1.00 0.00 O +HETATM33207 H1 T4P E5720 10.761 29.252 -40.378 1.00 0.00 H +HETATM33208 H2 T4P E5720 11.279 27.893 -39.960 1.00 0.00 H +HETATM33209 O T4P E5721 -20.289 -19.901 34.842 1.00 0.00 O +HETATM33210 H1 T4P E5721 -19.367 -19.690 34.693 1.00 0.00 H +HETATM33211 H2 T4P E5721 -20.400 -20.772 34.463 1.00 0.00 H +HETATM33212 O T4P E5722 16.074 -21.938 29.993 1.00 0.00 O +HETATM33213 H1 T4P E5722 15.228 -21.497 29.912 1.00 0.00 H +HETATM33214 H2 T4P E5722 16.546 -21.433 30.655 1.00 0.00 H +HETATM33215 O T4P E5723 13.348 28.069 36.945 1.00 0.00 O +HETATM33216 H1 T4P E5723 14.287 28.253 36.980 1.00 0.00 H +HETATM33217 H2 T4P E5723 13.239 27.281 37.478 1.00 0.00 H +HETATM33218 O T4P E5724 12.100 15.423 -23.905 1.00 0.00 O +HETATM33219 H1 T4P E5724 12.661 14.776 -23.479 1.00 0.00 H +HETATM33220 H2 T4P E5724 11.440 14.904 -24.364 1.00 0.00 H +HETATM33221 O T4P E5725 28.912 -0.129 38.268 1.00 0.00 O +HETATM33222 H1 T4P E5725 29.828 -0.111 37.988 1.00 0.00 H +HETATM33223 H2 T4P E5725 28.870 0.496 38.991 1.00 0.00 H 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O +HETATM33459 H1 T4P E5804 -21.364 9.128 26.402 1.00 0.00 H +HETATM33460 H2 T4P E5804 -20.813 10.292 25.606 1.00 0.00 H +HETATM33461 O T4P E5805 30.115 -26.252 -17.963 1.00 0.00 O +HETATM33462 H1 T4P E5805 29.539 -26.444 -18.704 1.00 0.00 H +HETATM33463 H2 T4P E5805 29.984 -25.319 -17.793 1.00 0.00 H +HETATM33464 O T4P E5806 -2.105 28.396 -18.677 1.00 0.00 O +HETATM33465 H1 T4P E5806 -3.001 28.732 -18.676 1.00 0.00 H +HETATM33466 H2 T4P E5806 -1.880 28.306 -17.751 1.00 0.00 H +HETATM33467 O T4P E5807 3.670 -20.327 34.487 1.00 0.00 O +HETATM33468 H1 T4P E5807 4.184 -20.126 33.705 1.00 0.00 H +HETATM33469 H2 T4P E5807 2.807 -20.570 34.151 1.00 0.00 H +HETATM33470 O T4P E5808 2.937 -25.672 -25.548 1.00 0.00 O +HETATM33471 H1 T4P E5808 2.898 -25.753 -24.595 1.00 0.00 H +HETATM33472 H2 T4P E5808 2.445 -26.426 -25.874 1.00 0.00 H +HETATM33473 O T4P E5809 22.606 -13.972 18.581 1.00 0.00 O +HETATM33474 H1 T4P E5809 22.345 -13.138 18.191 1.00 0.00 H +HETATM33475 H2 T4P E5809 23.304 -13.742 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E5815 17.689 -4.274 -30.485 1.00 0.00 H +HETATM33493 H2 T4P E5815 18.017 -5.710 -30.835 1.00 0.00 H +HETATM33494 O T4P E5816 0.352 25.874 17.540 1.00 0.00 O +HETATM33495 H1 T4P E5816 0.263 25.022 17.114 1.00 0.00 H +HETATM33496 H2 T4P E5816 -0.545 26.135 17.747 1.00 0.00 H +HETATM33497 O T4P E5817 18.416 -12.105 -34.832 1.00 0.00 O +HETATM33498 H1 T4P E5817 18.773 -11.775 -34.007 1.00 0.00 H +HETATM33499 H2 T4P E5817 17.715 -11.492 -35.053 1.00 0.00 H +HETATM33500 O T4P E5818 30.209 -4.526 21.199 1.00 0.00 O +HETATM33501 H1 T4P E5818 29.710 -4.355 20.400 1.00 0.00 H +HETATM33502 H2 T4P E5818 30.903 -5.126 20.924 1.00 0.00 H +HETATM33503 O T4P E5819 5.299 -25.889 31.251 1.00 0.00 O +HETATM33504 H1 T4P E5819 4.686 -26.234 30.602 1.00 0.00 H +HETATM33505 H2 T4P E5819 5.473 -24.992 30.964 1.00 0.00 H +HETATM33506 O T4P E5820 0.306 -20.021 34.608 1.00 0.00 O +HETATM33507 H1 T4P E5820 -0.202 -20.832 34.626 1.00 0.00 H +HETATM33508 H2 T4P E5820 0.627 -19.919 35.504 1.00 0.00 H +HETATM33509 O T4P E5821 -22.593 -16.220 15.769 1.00 0.00 O +HETATM33510 H1 T4P E5821 -21.950 -15.512 15.808 1.00 0.00 H +HETATM33511 H2 T4P E5821 -23.292 -15.878 15.211 1.00 0.00 H +HETATM33512 O T4P E5822 10.700 -3.663 -23.908 1.00 0.00 O +HETATM33513 H1 T4P E5822 10.851 -3.207 -23.079 1.00 0.00 H +HETATM33514 H2 T4P E5822 10.385 -4.529 -23.651 1.00 0.00 H +HETATM33515 O T4P E5823 -33.166 -14.002 -43.123 1.00 0.00 O +HETATM33516 H1 T4P E5823 -33.362 -13.066 -43.156 1.00 0.00 H +HETATM33517 H2 T4P E5823 -34.006 -14.429 -43.290 1.00 0.00 H +HETATM33518 O T4P E5824 10.347 12.356 -14.512 1.00 0.00 O +HETATM33519 H1 T4P E5824 10.603 12.612 -13.626 1.00 0.00 H +HETATM33520 H2 T4P E5824 10.631 13.085 -15.064 1.00 0.00 H +HETATM33521 O T4P E5825 -27.190 -1.535 -30.121 1.00 0.00 O +HETATM33522 H1 T4P E5825 -27.735 -0.904 -30.591 1.00 0.00 H +HETATM33523 H2 T4P E5825 -26.350 -1.515 -30.581 1.00 0.00 H +HETATM33524 O T4P E5826 17.635 23.673 35.695 1.00 0.00 O +HETATM33525 H1 T4P E5826 17.885 23.772 34.776 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15.321 -43.666 1.00 0.00 O +HETATM33543 H1 T4P E5832 -22.959 15.759 -44.377 1.00 0.00 H +HETATM33544 H2 T4P E5832 -23.146 15.224 -42.973 1.00 0.00 H +HETATM33545 O T4P E5833 10.832 22.665 45.913 1.00 0.00 O +HETATM33546 H1 T4P E5833 11.181 22.857 45.043 1.00 0.00 H +HETATM33547 H2 T4P E5833 11.607 22.491 46.448 1.00 0.00 H +HETATM33548 O T4P E5834 4.967 24.324 -24.129 1.00 0.00 O +HETATM33549 H1 T4P E5834 4.595 24.418 -23.252 1.00 0.00 H +HETATM33550 H2 T4P E5834 4.380 24.828 -24.693 1.00 0.00 H +HETATM33551 O T4P E5835 21.502 15.884 -18.429 1.00 0.00 O +HETATM33552 H1 T4P E5835 22.165 16.409 -17.981 1.00 0.00 H +HETATM33553 H2 T4P E5835 21.984 15.427 -19.119 1.00 0.00 H +HETATM33554 O T4P E5836 12.565 26.847 34.377 1.00 0.00 O +HETATM33555 H1 T4P E5836 13.472 26.801 34.679 1.00 0.00 H +HETATM33556 H2 T4P E5836 12.245 25.947 34.440 1.00 0.00 H +HETATM33557 O T4P E5837 13.105 10.720 37.920 1.00 0.00 O +HETATM33558 H1 T4P E5837 12.854 10.007 38.508 1.00 0.00 H +HETATM33559 H2 T4P E5837 12.274 11.064 37.592 1.00 0.00 H +HETATM33560 O T4P E5838 28.885 17.247 -23.627 1.00 0.00 O +HETATM33561 H1 T4P E5838 29.207 16.346 -23.654 1.00 0.00 H +HETATM33562 H2 T4P E5838 29.658 17.784 -23.802 1.00 0.00 H +HETATM33563 O T4P E5839 -13.635 14.158 29.014 1.00 0.00 O +HETATM33564 H1 T4P E5839 -14.306 13.556 29.335 1.00 0.00 H +HETATM33565 H2 T4P E5839 -13.308 14.594 29.800 1.00 0.00 H +HETATM33566 O T4P E5840 -15.929 -8.882 40.360 1.00 0.00 O +HETATM33567 H1 T4P E5840 -15.287 -9.589 40.422 1.00 0.00 H +HETATM33568 H2 T4P E5840 -16.777 -9.323 40.413 1.00 0.00 H +HETATM33569 O T4P E5841 -27.958 24.239 24.333 1.00 0.00 O +HETATM33570 H1 T4P E5841 -28.232 25.128 24.557 1.00 0.00 H +HETATM33571 H2 T4P E5841 -28.664 23.902 23.781 1.00 0.00 H +HETATM33572 O T4P E5842 -1.419 -20.724 28.470 1.00 0.00 O +HETATM33573 H1 T4P E5842 -0.821 -20.217 27.921 1.00 0.00 H +HETATM33574 H2 T4P E5842 -1.287 -20.378 29.352 1.00 0.00 H +HETATM33575 O T4P E5843 -3.473 3.208 -25.036 1.00 0.00 O +HETATM33576 H1 T4P E5843 -3.611 3.976 -24.482 1.00 0.00 H +HETATM33577 H2 T4P E5843 -3.568 2.463 -24.443 1.00 0.00 H +HETATM33578 O T4P E5844 30.113 2.128 26.817 1.00 0.00 O +HETATM33579 H1 T4P E5844 29.298 2.537 26.526 1.00 0.00 H +HETATM33580 H2 T4P E5844 29.855 1.248 27.092 1.00 0.00 H +HETATM33581 O T4P E5845 -29.449 4.066 19.025 1.00 0.00 O +HETATM33582 H1 T4P E5845 -28.819 4.529 19.577 1.00 0.00 H +HETATM33583 H2 T4P E5845 -30.045 3.644 19.644 1.00 0.00 H +HETATM33584 O T4P E5846 24.412 8.324 -39.699 1.00 0.00 O +HETATM33585 H1 T4P E5846 25.247 8.663 -39.375 1.00 0.00 H +HETATM33586 H2 T4P E5846 23.789 8.511 -38.996 1.00 0.00 H +HETATM33587 O T4P E5847 -23.635 13.379 -12.035 1.00 0.00 O +HETATM33588 H1 T4P E5847 -24.032 14.249 -12.081 1.00 0.00 H +HETATM33589 H2 T4P E5847 -23.437 13.157 -12.945 1.00 0.00 H +HETATM33590 O T4P E5848 21.558 8.834 -33.362 1.00 0.00 O +HETATM33591 H1 T4P E5848 22.031 9.488 -32.848 1.00 0.00 H +HETATM33592 H2 T4P E5848 20.822 9.314 -33.742 1.00 0.00 H +HETATM33593 O T4P E5849 -3.871 3.007 16.410 1.00 0.00 O +HETATM33594 H1 T4P E5849 -4.329 3.795 16.118 1.00 0.00 H +HETATM33595 H2 T4P E5849 -3.062 2.996 15.899 1.00 0.00 H +HETATM33596 O T4P E5850 9.565 10.660 -36.364 1.00 0.00 O +HETATM33597 H1 T4P E5850 9.082 10.258 -37.086 1.00 0.00 H +HETATM33598 H2 T4P E5850 10.480 10.629 -36.641 1.00 0.00 H +HETATM33599 O T4P E5851 -16.367 7.757 -42.788 1.00 0.00 O +HETATM33600 H1 T4P E5851 -15.643 7.227 -42.456 1.00 0.00 H +HETATM33601 H2 T4P E5851 -16.149 7.912 -43.707 1.00 0.00 H +HETATM33602 O T4P E5852 14.619 -28.441 -36.839 1.00 0.00 O +HETATM33603 H1 T4P E5852 14.569 -27.589 -36.405 1.00 0.00 H +HETATM33604 H2 T4P E5852 14.803 -28.235 -37.755 1.00 0.00 H +HETATM33605 O T4P E5853 7.592 -3.117 22.138 1.00 0.00 O +HETATM33606 H1 T4P E5853 6.737 -2.737 22.344 1.00 0.00 H +HETATM33607 H2 T4P E5853 7.628 -3.921 22.656 1.00 0.00 H +HETATM33608 O T4P E5854 31.738 16.279 19.769 1.00 0.00 O +HETATM33609 H1 T4P E5854 31.561 17.093 19.297 1.00 0.00 H +HETATM33610 H2 T4P E5854 32.064 15.679 19.098 1.00 0.00 H +HETATM33611 O T4P E5855 27.191 -28.798 -12.957 1.00 0.00 O +HETATM33612 H1 T4P E5855 27.107 -29.185 -13.829 1.00 0.00 H +HETATM33613 H2 T4P E5855 26.290 -28.634 -12.679 1.00 0.00 H +HETATM33614 O T4P E5856 -25.981 22.390 -25.341 1.00 0.00 O +HETATM33615 H1 T4P E5856 -26.875 22.726 -25.276 1.00 0.00 H +HETATM33616 H2 T4P E5856 -25.601 22.860 -26.083 1.00 0.00 H +HETATM33617 O T4P E5857 14.093 -29.409 -13.987 1.00 0.00 O +HETATM33618 H1 T4P E5857 13.294 -29.268 -14.494 1.00 0.00 H +HETATM33619 H2 T4P E5857 13.793 -29.478 -13.080 1.00 0.00 H +HETATM33620 O T4P E5858 -8.737 15.797 -27.852 1.00 0.00 O +HETATM33621 H1 T4P E5858 -8.458 15.974 -28.750 1.00 0.00 H +HETATM33622 H2 T4P E5858 -9.692 15.750 -27.902 1.00 0.00 H +HETATM33623 O T4P E5859 -4.382 22.025 27.185 1.00 0.00 O +HETATM33624 H1 T4P E5859 -5.162 21.870 27.717 1.00 0.00 H +HETATM33625 H2 T4P E5859 -3.720 21.442 27.555 1.00 0.00 H +HETATM33626 O T4P E5860 1.378 17.769 28.235 1.00 0.00 O +HETATM33627 H1 T4P E5860 2.030 17.828 27.535 1.00 0.00 H +HETATM33628 H2 T4P E5860 1.446 18.605 28.697 1.00 0.00 H +HETATM33629 O T4P E5861 16.067 29.275 -25.047 1.00 0.00 O +HETATM33630 H1 T4P E5861 16.842 29.640 -24.620 1.00 0.00 H +HETATM33631 H2 T4P E5861 16.395 28.520 -25.536 1.00 0.00 H +HETATM33632 O T4P E5862 -8.157 11.463 29.936 1.00 0.00 O +HETATM33633 H1 T4P E5862 -8.047 11.805 30.823 1.00 0.00 H +HETATM33634 H2 T4P E5862 -8.927 11.919 29.596 1.00 0.00 H +HETATM33635 O T4P E5863 24.445 -29.656 41.770 1.00 0.00 O +HETATM33636 H1 T4P E5863 24.208 -28.730 41.718 1.00 0.00 H +HETATM33637 H2 T4P E5863 24.902 -29.833 40.948 1.00 0.00 H +HETATM33638 O T4P E5864 -29.861 4.215 -10.444 1.00 0.00 O +HETATM33639 H1 T4P E5864 -30.052 3.382 -10.875 1.00 0.00 H +HETATM33640 H2 T4P E5864 -28.947 4.394 -10.662 1.00 0.00 H +HETATM33641 O T4P E5865 -33.706 14.622 41.936 1.00 0.00 O +HETATM33642 H1 T4P E5865 -34.356 14.698 41.237 1.00 0.00 H +HETATM33643 H2 T4P E5865 -33.067 15.309 41.744 1.00 0.00 H +HETATM33644 O T4P E5866 12.801 -23.843 14.377 1.00 0.00 O +HETATM33645 H1 T4P E5866 11.905 -23.521 14.280 1.00 0.00 H +HETATM33646 H2 T4P E5866 12.854 -24.590 13.780 1.00 0.00 H +HETATM33647 O T4P E5867 0.658 22.811 33.514 1.00 0.00 O +HETATM33648 H1 T4P E5867 0.806 23.226 32.664 1.00 0.00 H +HETATM33649 H2 T4P E5867 0.633 21.873 33.322 1.00 0.00 H +HETATM33650 O T4P E5868 20.548 11.247 -24.534 1.00 0.00 O +HETATM33651 H1 T4P E5868 20.700 10.343 -24.256 1.00 0.00 H +HETATM33652 H2 T4P E5868 21.250 11.747 -24.117 1.00 0.00 H +HETATM33653 O T4P E5869 5.958 -21.990 17.052 1.00 0.00 O +HETATM33654 H1 T4P E5869 6.738 -22.531 16.931 1.00 0.00 H +HETATM33655 H2 T4P E5869 6.089 -21.245 16.465 1.00 0.00 H +HETATM33656 O T4P E5870 34.220 -20.371 -34.746 1.00 0.00 O +HETATM33657 H1 T4P E5870 34.237 -20.363 -33.789 1.00 0.00 H +HETATM33658 H2 T4P E5870 35.134 -20.493 -35.001 1.00 0.00 H +HETATM33659 O T4P E5871 -11.864 26.721 20.854 1.00 0.00 O +HETATM33660 H1 T4P E5871 -12.738 26.603 21.227 1.00 0.00 H +HETATM33661 H2 T4P E5871 -11.681 27.655 20.962 1.00 0.00 H +HETATM33662 O T4P E5872 -18.328 23.679 -34.033 1.00 0.00 O +HETATM33663 H1 T4P E5872 -18.516 23.728 -34.971 1.00 0.00 H +HETATM33664 H2 T4P E5872 -18.900 24.336 -33.639 1.00 0.00 H +HETATM33665 O T4P E5873 34.066 21.982 24.019 1.00 0.00 O +HETATM33666 H1 T4P E5873 34.340 22.754 23.524 1.00 0.00 H +HETATM33667 H2 T4P E5873 34.451 22.104 24.887 1.00 0.00 H +HETATM33668 O T4P E5874 33.853 -2.634 42.329 1.00 0.00 O +HETATM33669 H1 T4P E5874 34.642 -2.330 41.880 1.00 0.00 H +HETATM33670 H2 T4P E5874 33.219 -1.929 42.205 1.00 0.00 H +HETATM33671 O T4P E5875 9.646 22.002 34.485 1.00 0.00 O +HETATM33672 H1 T4P E5875 9.638 21.477 33.684 1.00 0.00 H +HETATM33673 H2 T4P E5875 10.275 21.561 35.055 1.00 0.00 H +HETATM33674 O T4P E5876 -29.003 20.962 -32.778 1.00 0.00 O +HETATM33675 H1 T4P E5876 -28.601 21.715 -33.211 1.00 0.00 H +HETATM33676 H2 T4P E5876 -28.599 20.201 -33.196 1.00 0.00 H +HETATM33677 O T4P E5877 -15.537 6.129 -24.328 1.00 0.00 O +HETATM33678 H1 T4P E5877 -16.372 5.893 -24.731 1.00 0.00 H +HETATM33679 H2 T4P E5877 -14.876 5.842 -24.959 1.00 0.00 H +HETATM33680 O T4P E5878 26.883 -14.688 -34.239 1.00 0.00 O +HETATM33681 H1 T4P E5878 25.931 -14.758 -34.305 1.00 0.00 H +HETATM33682 H2 T4P E5878 27.173 -15.571 -34.009 1.00 0.00 H +HETATM33683 O T4P E5879 30.972 21.860 -22.802 1.00 0.00 O +HETATM33684 H1 T4P E5879 30.393 21.288 -23.306 1.00 0.00 H +HETATM33685 H2 T4P E5879 30.422 22.197 -22.095 1.00 0.00 H +HETATM33686 O T4P E5880 -34.159 -5.611 32.707 1.00 0.00 O +HETATM33687 H1 T4P E5880 -34.304 -6.452 33.141 1.00 0.00 H +HETATM33688 H2 T4P E5880 -34.031 -5.835 31.786 1.00 0.00 H +HETATM33689 O T4P E5881 28.612 19.107 35.713 1.00 0.00 O +HETATM33690 H1 T4P E5881 28.590 19.674 34.943 1.00 0.00 H +HETATM33691 H2 T4P E5881 28.715 18.224 35.359 1.00 0.00 H +HETATM33692 O T4P E5882 26.015 -20.845 26.973 1.00 0.00 O +HETATM33693 H1 T4P E5882 25.369 -20.537 27.609 1.00 0.00 H 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1.00 0.00 O +HETATM33711 H1 T4P E5888 -29.450 -1.952 -22.151 1.00 0.00 H +HETATM33712 H2 T4P E5888 -29.812 -2.437 -20.763 1.00 0.00 H +HETATM33713 O T4P E5889 -16.595 18.850 39.832 1.00 0.00 O +HETATM33714 H1 T4P E5889 -16.892 18.575 38.965 1.00 0.00 H +HETATM33715 H2 T4P E5889 -17.399 19.078 40.299 1.00 0.00 H +HETATM33716 O T4P E5890 -33.053 27.238 -15.113 1.00 0.00 O +HETATM33717 H1 T4P E5890 -33.072 26.405 -14.642 1.00 0.00 H +HETATM33718 H2 T4P E5890 -33.924 27.611 -14.976 1.00 0.00 H +HETATM33719 O T4P E5891 13.754 9.992 -16.433 1.00 0.00 O +HETATM33720 H1 T4P E5891 14.703 10.047 -16.321 1.00 0.00 H +HETATM33721 H2 T4P E5891 13.464 9.403 -15.735 1.00 0.00 H +HETATM33722 O T4P E5892 -19.201 -22.975 20.239 1.00 0.00 O +HETATM33723 H1 T4P E5892 -19.011 -22.042 20.343 1.00 0.00 H +HETATM33724 H2 T4P E5892 -18.451 -23.320 19.754 1.00 0.00 H +HETATM33725 O T4P E5893 -22.964 17.609 17.930 1.00 0.00 O +HETATM33726 H1 T4P E5893 -23.444 17.076 18.564 1.00 0.00 H +HETATM33727 H2 T4P E5893 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T4P E5899 -28.983 -10.090 34.727 1.00 0.00 H +HETATM33745 H2 T4P E5899 -27.720 -9.531 34.107 1.00 0.00 H +HETATM33746 O T4P E5900 -5.861 23.033 23.540 1.00 0.00 O +HETATM33747 H1 T4P E5900 -6.529 23.053 22.855 1.00 0.00 H +HETATM33748 H2 T4P E5900 -5.040 22.888 23.071 1.00 0.00 H +HETATM33749 O T4P E5901 19.317 -13.893 -36.505 1.00 0.00 O +HETATM33750 H1 T4P E5901 19.051 -13.001 -36.281 1.00 0.00 H +HETATM33751 H2 T4P E5901 19.836 -14.184 -35.756 1.00 0.00 H +HETATM33752 O T4P E5902 -15.058 14.965 -16.477 1.00 0.00 O +HETATM33753 H1 T4P E5902 -15.833 15.217 -16.978 1.00 0.00 H +HETATM33754 H2 T4P E5902 -14.596 15.788 -16.317 1.00 0.00 H +HETATM33755 O T4P E5903 -1.836 -15.787 42.771 1.00 0.00 O +HETATM33756 H1 T4P E5903 -1.307 -15.086 43.151 1.00 0.00 H +HETATM33757 H2 T4P E5903 -2.642 -15.787 43.287 1.00 0.00 H +HETATM33758 O T4P E5904 5.687 -5.706 38.752 1.00 0.00 O +HETATM33759 H1 T4P E5904 5.042 -6.391 38.928 1.00 0.00 H +HETATM33760 H2 T4P E5904 5.556 -5.067 39.452 1.00 0.00 H 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35.146 1.00 0.00 H +HETATM33778 H2 T4P E5910 -25.013 -7.003 35.990 1.00 0.00 H +HETATM33779 O T4P E5911 17.430 17.362 -19.179 1.00 0.00 O +HETATM33780 H1 T4P E5911 16.736 17.831 -18.716 1.00 0.00 H +HETATM33781 H2 T4P E5911 17.523 16.537 -18.701 1.00 0.00 H +HETATM33782 O T4P E5912 -19.239 26.425 20.143 1.00 0.00 O +HETATM33783 H1 T4P E5912 -18.534 26.901 19.705 1.00 0.00 H +HETATM33784 H2 T4P E5912 -20.008 26.985 20.039 1.00 0.00 H +HETATM33785 O T4P E5913 -22.884 -9.467 -13.218 1.00 0.00 O +HETATM33786 H1 T4P E5913 -22.572 -9.698 -14.093 1.00 0.00 H +HETATM33787 H2 T4P E5913 -22.231 -8.851 -12.885 1.00 0.00 H +HETATM33788 O T4P E5914 -15.956 -16.396 -26.088 1.00 0.00 O +HETATM33789 H1 T4P E5914 -15.230 -17.008 -25.962 1.00 0.00 H +HETATM33790 H2 T4P E5914 -15.869 -16.105 -26.996 1.00 0.00 H +HETATM33791 O T4P E5915 -27.003 24.128 -19.191 1.00 0.00 O +HETATM33792 H1 T4P E5915 -27.669 24.394 -18.558 1.00 0.00 H +HETATM33793 H2 T4P E5915 -26.734 23.255 -18.904 1.00 0.00 H +HETATM33794 O T4P E5916 -19.872 1.283 -38.577 1.00 0.00 O +HETATM33795 H1 T4P E5916 -20.559 1.478 -39.214 1.00 0.00 H +HETATM33796 H2 T4P E5916 -19.236 1.990 -38.685 1.00 0.00 H +HETATM33797 O T4P E5917 -24.616 14.732 -21.626 1.00 0.00 O +HETATM33798 H1 T4P E5917 -24.550 15.194 -22.461 1.00 0.00 H +HETATM33799 H2 T4P E5917 -24.401 15.393 -20.968 1.00 0.00 H +HETATM33800 O T4P E5918 -22.895 19.794 -36.563 1.00 0.00 O +HETATM33801 H1 T4P E5918 -22.315 20.543 -36.428 1.00 0.00 H +HETATM33802 H2 T4P E5918 -23.626 19.945 -35.964 1.00 0.00 H +HETATM33803 O T4P E5919 32.209 25.220 -26.342 1.00 0.00 O +HETATM33804 H1 T4P E5919 31.981 26.029 -25.884 1.00 0.00 H +HETATM33805 H2 T4P E5919 32.813 25.498 -27.031 1.00 0.00 H +HETATM33806 O T4P E5920 8.068 18.698 36.642 1.00 0.00 O +HETATM33807 H1 T4P E5920 8.769 18.615 37.288 1.00 0.00 H +HETATM33808 H2 T4P E5920 7.672 17.827 36.605 1.00 0.00 H +HETATM33809 O T4P E5921 -21.294 -19.045 20.924 1.00 0.00 O +HETATM33810 H1 T4P E5921 -20.464 -18.746 20.553 1.00 0.00 H 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35.551 1.00 0.00 O +HETATM33828 H1 T4P E5927 -23.891 -24.815 35.690 1.00 0.00 H +HETATM33829 H2 T4P E5927 -23.100 -25.878 36.422 1.00 0.00 H +HETATM33830 O T4P E5928 -19.488 15.641 -34.265 1.00 0.00 O +HETATM33831 H1 T4P E5928 -19.646 16.447 -34.756 1.00 0.00 H +HETATM33832 H2 T4P E5928 -20.197 15.055 -34.533 1.00 0.00 H +HETATM33833 O T4P E5929 -12.513 -28.576 17.673 1.00 0.00 O +HETATM33834 H1 T4P E5929 -13.366 -28.681 18.095 1.00 0.00 H +HETATM33835 H2 T4P E5929 -12.610 -27.797 17.125 1.00 0.00 H +HETATM33836 O T4P E5930 -32.856 0.501 -6.770 1.00 0.00 O +HETATM33837 H1 T4P E5930 -32.688 -0.342 -7.190 1.00 0.00 H +HETATM33838 H2 T4P E5930 -33.126 1.076 -7.486 1.00 0.00 H +HETATM33839 O T4P E5931 -7.584 -20.373 35.564 1.00 0.00 O +HETATM33840 H1 T4P E5931 -6.685 -20.688 35.476 1.00 0.00 H +HETATM33841 H2 T4P E5931 -7.559 -19.782 36.317 1.00 0.00 H +HETATM33842 O T4P E5932 8.049 -13.652 34.981 1.00 0.00 O +HETATM33843 H1 T4P E5932 7.631 -12.893 35.387 1.00 0.00 H +HETATM33844 H2 T4P E5932 8.035 -13.461 34.043 1.00 0.00 H +HETATM33845 O T4P E5933 -26.846 7.607 45.257 1.00 0.00 O +HETATM33846 H1 T4P E5933 -26.276 6.875 45.021 1.00 0.00 H +HETATM33847 H2 T4P E5933 -26.834 7.620 46.214 1.00 0.00 H +HETATM33848 O T4P E5934 -11.355 16.365 -42.994 1.00 0.00 O +HETATM33849 H1 T4P E5934 -11.532 17.287 -43.184 1.00 0.00 H +HETATM33850 H2 T4P E5934 -11.377 15.936 -43.850 1.00 0.00 H +HETATM33851 O T4P E5935 30.137 1.480 -23.720 1.00 0.00 O +HETATM33852 H1 T4P E5935 29.298 1.123 -23.429 1.00 0.00 H +HETATM33853 H2 T4P E5935 29.989 1.726 -24.633 1.00 0.00 H +HETATM33854 O T4P E5936 27.507 14.006 -27.772 1.00 0.00 O +HETATM33855 H1 T4P E5936 26.789 14.058 -28.402 1.00 0.00 H +HETATM33856 H2 T4P E5936 28.247 14.421 -28.216 1.00 0.00 H +HETATM33857 O T4P E5937 -30.276 22.092 34.063 1.00 0.00 O +HETATM33858 H1 T4P E5937 -30.833 21.966 34.831 1.00 0.00 H +HETATM33859 H2 T4P E5937 -29.383 22.017 34.399 1.00 0.00 H +HETATM33860 O T4P E5938 -25.870 5.364 43.776 1.00 0.00 O 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0.00 H +HETATM33878 O T4P E5944 -32.766 -1.183 -26.823 1.00 0.00 O +HETATM33879 H1 T4P E5944 -32.624 -1.481 -27.721 1.00 0.00 H +HETATM33880 H2 T4P E5944 -31.890 -1.156 -26.438 1.00 0.00 H +HETATM33881 O T4P E5945 -4.925 28.856 -18.783 1.00 0.00 O +HETATM33882 H1 T4P E5945 -5.696 29.360 -18.522 1.00 0.00 H +HETATM33883 H2 T4P E5945 -5.243 27.957 -18.869 1.00 0.00 H +HETATM33884 O T4P E5946 -33.666 9.322 -14.977 1.00 0.00 O +HETATM33885 H1 T4P E5946 -34.439 9.355 -14.414 1.00 0.00 H +HETATM33886 H2 T4P E5946 -32.943 9.585 -14.408 1.00 0.00 H +HETATM33887 O T4P E5947 -32.216 -14.364 -33.324 1.00 0.00 O +HETATM33888 H1 T4P E5947 -33.006 -14.739 -33.712 1.00 0.00 H +HETATM33889 H2 T4P E5947 -32.405 -14.323 -32.387 1.00 0.00 H +HETATM33890 O T4P E5948 -9.746 18.151 -36.901 1.00 0.00 O +HETATM33891 H1 T4P E5948 -10.517 18.627 -36.593 1.00 0.00 H +HETATM33892 H2 T4P E5948 -9.673 18.385 -37.826 1.00 0.00 H +HETATM33893 O T4P E5949 -20.057 -10.408 -26.318 1.00 0.00 O +HETATM33894 H1 T4P E5949 -19.633 -10.835 -27.062 1.00 0.00 H +HETATM33895 H2 T4P E5949 -19.707 -10.861 -25.551 1.00 0.00 H +HETATM33896 O T4P E5950 18.791 13.902 45.597 1.00 0.00 O +HETATM33897 H1 T4P E5950 19.222 13.693 44.769 1.00 0.00 H +HETATM33898 H2 T4P E5950 19.443 13.693 46.267 1.00 0.00 H +HETATM33899 O T4P E5951 17.304 -26.510 -35.898 1.00 0.00 O +HETATM33900 H1 T4P E5951 18.222 -26.268 -36.021 1.00 0.00 H +HETATM33901 H2 T4P E5951 17.335 -27.402 -35.552 1.00 0.00 H +HETATM33902 O T4P E5952 1.455 -0.374 -27.252 1.00 0.00 O +HETATM33903 H1 T4P E5952 0.517 -0.185 -27.212 1.00 0.00 H +HETATM33904 H2 T4P E5952 1.533 -1.062 -27.913 1.00 0.00 H +HETATM33905 O T4P E5953 -27.770 10.780 28.503 1.00 0.00 O +HETATM33906 H1 T4P E5953 -27.032 10.332 28.091 1.00 0.00 H +HETATM33907 H2 T4P E5953 -28.090 11.384 27.833 1.00 0.00 H +HETATM33908 O T4P E5954 -26.218 -15.306 19.480 1.00 0.00 O +HETATM33909 H1 T4P E5954 -26.664 -15.145 20.311 1.00 0.00 H +HETATM33910 H2 T4P E5954 -26.628 -16.101 19.138 1.00 0.00 H 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E6122 -20.113 -2.107 -23.714 1.00 0.00 H +HETATM34414 H2 T4P E6122 -19.239 -1.571 -22.600 1.00 0.00 H +HETATM34415 O T4P E6123 7.617 7.918 -42.686 1.00 0.00 O +HETATM34416 H1 T4P E6123 6.815 7.402 -42.602 1.00 0.00 H +HETATM34417 H2 T4P E6123 8.118 7.472 -43.368 1.00 0.00 H +HETATM34418 O T4P E6124 -18.475 -16.208 28.675 1.00 0.00 O +HETATM34419 H1 T4P E6124 -18.816 -15.367 28.368 1.00 0.00 H +HETATM34420 H2 T4P E6124 -17.533 -16.160 28.508 1.00 0.00 H +HETATM34421 O T4P E6125 -11.054 9.966 26.371 1.00 0.00 O +HETATM34422 H1 T4P E6125 -11.047 9.308 27.066 1.00 0.00 H +HETATM34423 H2 T4P E6125 -11.628 10.658 26.701 1.00 0.00 H +HETATM34424 O T4P E6126 17.157 -2.761 -31.150 1.00 0.00 O +HETATM34425 H1 T4P E6126 16.521 -2.285 -30.616 1.00 0.00 H +HETATM34426 H2 T4P E6126 18.008 -2.430 -30.862 1.00 0.00 H +HETATM34427 O T4P E6127 2.368 8.091 -27.982 1.00 0.00 O +HETATM34428 H1 T4P E6127 1.653 8.719 -27.883 1.00 0.00 H +HETATM34429 H2 T4P E6127 2.246 7.473 -27.262 1.00 0.00 H +HETATM34430 O T4P E6128 -30.934 15.798 -41.087 1.00 0.00 O +HETATM34431 H1 T4P E6128 -30.734 14.997 -41.572 1.00 0.00 H +HETATM34432 H2 T4P E6128 -31.315 16.384 -41.741 1.00 0.00 H +HETATM34433 O T4P E6129 27.338 -3.604 26.285 1.00 0.00 O +HETATM34434 H1 T4P E6129 26.470 -3.231 26.442 1.00 0.00 H +HETATM34435 H2 T4P E6129 27.373 -3.739 25.338 1.00 0.00 H +HETATM34436 O T4P E6130 -16.715 -10.653 -27.816 1.00 0.00 O +HETATM34437 H1 T4P E6130 -16.535 -10.107 -28.581 1.00 0.00 H +HETATM34438 H2 T4P E6130 -17.608 -10.970 -27.951 1.00 0.00 H +HETATM34439 O T4P E6131 22.787 -21.810 -39.290 1.00 0.00 O +HETATM34440 H1 T4P E6131 23.196 -22.015 -40.131 1.00 0.00 H +HETATM34441 H2 T4P E6131 22.020 -21.285 -39.518 1.00 0.00 H +HETATM34442 O T4P E6132 -30.277 -8.539 35.438 1.00 0.00 O +HETATM34443 H1 T4P E6132 -30.101 -8.474 36.377 1.00 0.00 H +HETATM34444 H2 T4P E6132 -30.013 -7.689 35.085 1.00 0.00 H +HETATM34445 O T4P E6133 26.127 21.576 29.545 1.00 0.00 O +HETATM34446 H1 T4P E6133 26.743 22.173 29.119 1.00 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E6150 26.216 -8.825 15.359 1.00 0.00 H +HETATM34498 H2 T4P E6150 27.263 -7.757 15.119 1.00 0.00 H +HETATM34499 O T4P E6151 -3.791 -11.866 43.574 1.00 0.00 O +HETATM34500 H1 T4P E6151 -4.312 -12.564 43.971 1.00 0.00 H +HETATM34501 H2 T4P E6151 -3.768 -12.084 42.642 1.00 0.00 H +HETATM34502 O T4P E6152 5.472 18.448 -30.623 1.00 0.00 O +HETATM34503 H1 T4P E6152 5.563 18.632 -29.688 1.00 0.00 H +HETATM34504 H2 T4P E6152 4.527 18.444 -30.776 1.00 0.00 H +HETATM34505 O T4P E6153 -2.798 -29.269 21.309 1.00 0.00 O +HETATM34506 H1 T4P E6153 -3.192 -30.064 20.950 1.00 0.00 H +HETATM34507 H2 T4P E6153 -2.413 -28.829 20.551 1.00 0.00 H +HETATM34508 O T4P E6154 -33.271 14.691 -30.865 1.00 0.00 O +HETATM34509 H1 T4P E6154 -33.062 14.752 -31.797 1.00 0.00 H +HETATM34510 H2 T4P E6154 -34.123 14.255 -30.839 1.00 0.00 H +HETATM34511 O T4P E6155 16.420 18.257 42.265 1.00 0.00 O +HETATM34512 H1 T4P E6155 16.346 17.826 43.116 1.00 0.00 H +HETATM34513 H2 T4P E6155 15.545 18.186 41.883 1.00 0.00 H 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E6183 -10.746 -13.775 -42.853 1.00 0.00 H +HETATM34598 O T4P E6184 32.667 22.828 41.771 1.00 0.00 O +HETATM34599 H1 T4P E6184 32.178 22.529 42.538 1.00 0.00 H +HETATM34600 H2 T4P E6184 33.580 22.841 42.058 1.00 0.00 H +HETATM34601 O T4P E6185 12.904 -26.316 13.152 1.00 0.00 O +HETATM34602 H1 T4P E6185 13.783 -26.670 13.016 1.00 0.00 H +HETATM34603 H2 T4P E6185 12.321 -27.062 13.016 1.00 0.00 H +HETATM34604 O T4P E6186 -12.551 -23.402 33.589 1.00 0.00 O +HETATM34605 H1 T4P E6186 -13.414 -23.168 33.245 1.00 0.00 H +HETATM34606 H2 T4P E6186 -12.489 -24.348 33.458 1.00 0.00 H +HETATM34607 O T4P E6187 27.571 1.517 22.713 1.00 0.00 O +HETATM34608 H1 T4P E6187 26.875 2.106 23.006 1.00 0.00 H +HETATM34609 H2 T4P E6187 28.350 2.071 22.667 1.00 0.00 H +HETATM34610 O T4P E6188 32.209 11.857 26.706 1.00 0.00 O +HETATM34611 H1 T4P E6188 32.070 11.027 27.162 1.00 0.00 H +HETATM34612 H2 T4P E6188 33.159 11.973 26.704 1.00 0.00 H +HETATM34613 O T4P E6189 -0.325 -27.448 -34.249 1.00 0.00 O +HETATM34614 H1 T4P E6189 -0.416 -28.394 -34.129 1.00 0.00 H +HETATM34615 H2 T4P E6189 -1.146 -27.085 -33.917 1.00 0.00 H +HETATM34616 O T4P E6190 15.415 -8.108 -38.256 1.00 0.00 O +HETATM34617 H1 T4P E6190 15.669 -8.421 -39.124 1.00 0.00 H +HETATM34618 H2 T4P E6190 15.774 -7.222 -38.205 1.00 0.00 H +HETATM34619 O T4P E6191 34.704 -11.214 39.040 1.00 0.00 O +HETATM34620 H1 T4P E6191 35.553 -11.631 39.185 1.00 0.00 H +HETATM34621 H2 T4P E6191 34.127 -11.613 39.691 1.00 0.00 H +HETATM34622 O T4P E6192 -19.199 -11.197 -34.417 1.00 0.00 O +HETATM34623 H1 T4P E6192 -18.467 -11.781 -34.616 1.00 0.00 H +HETATM34624 H2 T4P E6192 -19.214 -10.575 -35.145 1.00 0.00 H +HETATM34625 O T4P E6193 -21.813 26.547 15.872 1.00 0.00 O +HETATM34626 H1 T4P E6193 -22.026 27.195 16.542 1.00 0.00 H +HETATM34627 H2 T4P E6193 -22.312 26.824 15.103 1.00 0.00 H +HETATM34628 O T4P E6194 7.679 18.932 29.100 1.00 0.00 O +HETATM34629 H1 T4P E6194 8.082 19.412 29.823 1.00 0.00 H +HETATM34630 H2 T4P E6194 7.124 19.578 28.663 1.00 0.00 H +HETATM34631 O T4P E6195 29.343 4.888 23.310 1.00 0.00 O +HETATM34632 H1 T4P E6195 28.716 5.594 23.468 1.00 0.00 H +HETATM34633 H2 T4P E6195 30.187 5.332 23.222 1.00 0.00 H +HETATM34634 O T4P E6196 23.313 14.190 -13.704 1.00 0.00 O +HETATM34635 H1 T4P E6196 23.298 14.523 -12.807 1.00 0.00 H +HETATM34636 H2 T4P E6196 24.238 14.199 -13.948 1.00 0.00 H +HETATM34637 O T4P E6197 26.892 28.043 -40.311 1.00 0.00 O +HETATM34638 H1 T4P E6197 27.102 28.919 -39.987 1.00 0.00 H +HETATM34639 H2 T4P E6197 27.583 27.849 -40.944 1.00 0.00 H +HETATM34640 O T4P E6198 14.403 -25.400 -15.954 1.00 0.00 O +HETATM34641 H1 T4P E6198 15.309 -25.107 -15.852 1.00 0.00 H +HETATM34642 H2 T4P E6198 13.882 -24.602 -15.861 1.00 0.00 H +HETATM34643 O T4P E6199 14.851 -29.304 18.094 1.00 0.00 O +HETATM34644 H1 T4P E6199 15.366 -28.709 18.638 1.00 0.00 H +HETATM34645 H2 T4P E6199 15.329 -29.347 17.265 1.00 0.00 H +HETATM34646 O T4P E6200 -31.522 -0.948 -45.823 1.00 0.00 O +HETATM34647 H1 T4P E6200 -32.404 -1.252 -46.036 1.00 0.00 H +HETATM34648 H2 T4P E6200 -31.228 -0.495 -46.612 1.00 0.00 H +HETATM34649 O T4P E6201 -9.599 -28.710 25.738 1.00 0.00 O +HETATM34650 H1 T4P E6201 -9.922 -29.579 25.976 1.00 0.00 H +HETATM34651 H2 T4P E6201 -10.390 -28.184 25.620 1.00 0.00 H +HETATM34652 O T4P E6202 25.524 -16.147 -14.518 1.00 0.00 O +HETATM34653 H1 T4P E6202 25.517 -15.440 -15.163 1.00 0.00 H +HETATM34654 H2 T4P E6202 26.236 -15.919 -13.919 1.00 0.00 H +HETATM34655 O T4P E6203 -31.059 8.687 -9.676 1.00 0.00 O +HETATM34656 H1 T4P E6203 -31.115 7.948 -10.282 1.00 0.00 H +HETATM34657 H2 T4P E6203 -30.909 9.447 -10.237 1.00 0.00 H +HETATM34658 O T4P E6204 -25.590 21.099 -44.209 1.00 0.00 O +HETATM34659 H1 T4P E6204 -25.514 21.744 -44.912 1.00 0.00 H +HETATM34660 H2 T4P E6204 -24.936 20.434 -44.422 1.00 0.00 H +HETATM34661 O T4P E6205 -28.475 18.741 -22.523 1.00 0.00 O +HETATM34662 H1 T4P E6205 -28.844 19.465 -22.018 1.00 0.00 H +HETATM34663 H2 T4P E6205 -28.809 18.873 -23.411 1.00 0.00 H +HETATM34664 O T4P E6206 6.957 28.297 -28.263 1.00 0.00 O +HETATM34665 H1 T4P E6206 7.060 27.349 -28.181 1.00 0.00 H +HETATM34666 H2 T4P E6206 7.677 28.569 -28.833 1.00 0.00 H +HETATM34667 O T4P E6207 -31.131 0.942 41.736 1.00 0.00 O +HETATM34668 H1 T4P E6207 -31.154 1.840 42.065 1.00 0.00 H +HETATM34669 H2 T4P E6207 -31.986 0.580 41.967 1.00 0.00 H +HETATM34670 O T4P E6208 4.258 23.948 46.287 1.00 0.00 O +HETATM34671 H1 T4P E6208 3.409 23.807 46.708 1.00 0.00 H +HETATM34672 H2 T4P E6208 4.172 23.530 45.430 1.00 0.00 H +HETATM34673 O T4P E6209 -0.490 1.342 -27.281 1.00 0.00 O +HETATM34674 H1 T4P E6209 -1.219 1.490 -27.883 1.00 0.00 H +HETATM34675 H2 T4P E6209 -0.388 2.174 -26.818 1.00 0.00 H +HETATM34676 O T4P E6210 26.211 -26.888 -24.431 1.00 0.00 O +HETATM34677 H1 T4P E6210 25.348 -27.258 -24.618 1.00 0.00 H +HETATM34678 H2 T4P E6210 26.539 -27.403 -23.694 1.00 0.00 H +HETATM34679 O T4P E6211 -31.251 -26.111 27.303 1.00 0.00 O +HETATM34680 H1 T4P E6211 -30.404 -26.555 27.338 1.00 0.00 H 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1.00 0.00 O +HETATM34698 H1 T4P E6217 -25.982 -13.962 41.227 1.00 0.00 H +HETATM34699 H2 T4P E6217 -25.862 -15.407 41.663 1.00 0.00 H +HETATM34700 O T4P E6218 -31.922 10.432 44.441 1.00 0.00 O +HETATM34701 H1 T4P E6218 -31.584 9.755 43.853 1.00 0.00 H +HETATM34702 H2 T4P E6218 -32.185 11.145 43.859 1.00 0.00 H +HETATM34703 O T4P E6219 -26.094 -27.680 -27.748 1.00 0.00 O +HETATM34704 H1 T4P E6219 -26.673 -27.449 -27.021 1.00 0.00 H +HETATM34705 H2 T4P E6219 -25.306 -28.022 -27.328 1.00 0.00 H +HETATM34706 O T4P E6220 -20.313 24.496 -40.812 1.00 0.00 O +HETATM34707 H1 T4P E6220 -20.967 24.317 -41.488 1.00 0.00 H +HETATM34708 H2 T4P E6220 -19.647 25.021 -41.255 1.00 0.00 H +HETATM34709 O T4P E6221 20.483 12.982 17.793 1.00 0.00 O +HETATM34710 H1 T4P E6221 20.432 13.242 16.873 1.00 0.00 H +HETATM34711 H2 T4P E6221 19.906 13.595 18.248 1.00 0.00 H +HETATM34712 O T4P E6222 27.340 -1.191 -17.128 1.00 0.00 O +HETATM34713 H1 T4P E6222 27.059 -2.091 -17.293 1.00 0.00 H +HETATM34714 H2 T4P E6222 27.421 -1.136 -16.176 1.00 0.00 H +HETATM34715 O T4P E6223 9.412 5.829 24.168 1.00 0.00 O +HETATM34716 H1 T4P E6223 9.730 6.172 25.003 1.00 0.00 H +HETATM34717 H2 T4P E6223 10.028 6.168 23.519 1.00 0.00 H +HETATM34718 O T4P E6224 -2.490 -19.129 -21.237 1.00 0.00 O +HETATM34719 H1 T4P E6224 -3.256 -19.542 -21.635 1.00 0.00 H +HETATM34720 H2 T4P E6224 -2.782 -18.244 -21.016 1.00 0.00 H +HETATM34721 O T4P E6225 24.180 -19.308 31.459 1.00 0.00 O +HETATM34722 H1 T4P E6225 24.866 -19.233 32.122 1.00 0.00 H +HETATM34723 H2 T4P E6225 24.624 -19.678 30.696 1.00 0.00 H +HETATM34724 O T4P E6226 25.541 -6.454 23.329 1.00 0.00 O +HETATM34725 H1 T4P E6226 26.161 -7.142 23.570 1.00 0.00 H +HETATM34726 H2 T4P E6226 25.010 -6.324 24.115 1.00 0.00 H +HETATM34727 O T4P E6227 -2.948 -16.945 -25.982 1.00 0.00 O +HETATM34728 H1 T4P E6227 -3.785 -16.722 -26.388 1.00 0.00 H +HETATM34729 H2 T4P E6227 -2.441 -16.134 -26.016 1.00 0.00 H +HETATM34730 O T4P E6228 -1.960 -14.295 -24.728 1.00 0.00 O +HETATM34731 H1 T4P E6228 -1.640 -13.461 -24.385 1.00 0.00 H +HETATM34732 H2 T4P E6228 -2.849 -14.372 -24.382 1.00 0.00 H +HETATM34733 O T4P E6229 29.886 23.912 -28.662 1.00 0.00 O +HETATM34734 H1 T4P E6229 29.040 24.360 -28.649 1.00 0.00 H +HETATM34735 H2 T4P E6229 30.530 24.617 -28.726 1.00 0.00 H +HETATM34736 O T4P E6230 26.710 15.876 42.351 1.00 0.00 O +HETATM34737 H1 T4P E6230 25.812 16.119 42.574 1.00 0.00 H +HETATM34738 H2 T4P E6230 27.177 16.709 42.290 1.00 0.00 H +HETATM34739 O T4P E6231 -25.390 3.350 -32.862 1.00 0.00 O +HETATM34740 H1 T4P E6231 -25.749 2.980 -33.669 1.00 0.00 H +HETATM34741 H2 T4P E6231 -25.946 4.108 -32.678 1.00 0.00 H +HETATM34742 O T4P E6232 31.691 27.091 -34.189 1.00 0.00 O +HETATM34743 H1 T4P E6232 31.876 27.828 -34.772 1.00 0.00 H +HETATM34744 H2 T4P E6232 31.988 27.386 -33.328 1.00 0.00 H +HETATM34745 O T4P E6233 -32.111 -17.763 24.855 1.00 0.00 O +HETATM34746 H1 T4P E6233 -32.987 -17.556 24.530 1.00 0.00 H +HETATM34747 H2 T4P E6233 -31.943 -17.105 25.530 1.00 0.00 H 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E6273 -28.904 -12.198 -18.284 1.00 0.00 O +HETATM34866 H1 T4P E6273 -28.331 -11.990 -19.022 1.00 0.00 H +HETATM34867 H2 T4P E6273 -28.465 -11.814 -17.525 1.00 0.00 H +HETATM34868 O T4P E6274 -21.462 -22.301 -29.306 1.00 0.00 O +HETATM34869 H1 T4P E6274 -21.745 -22.322 -30.221 1.00 0.00 H +HETATM34870 H2 T4P E6274 -20.588 -21.912 -29.334 1.00 0.00 H +HETATM34871 O T4P E6275 11.166 -20.967 22.593 1.00 0.00 O +HETATM34872 H1 T4P E6275 10.478 -20.888 21.933 1.00 0.00 H +HETATM34873 H2 T4P E6275 11.959 -21.159 22.092 1.00 0.00 H +HETATM34874 O T4P E6276 -23.150 19.921 33.372 1.00 0.00 O +HETATM34875 H1 T4P E6276 -23.598 19.481 32.649 1.00 0.00 H +HETATM34876 H2 T4P E6276 -22.227 19.699 33.253 1.00 0.00 H +HETATM34877 O T4P E6277 9.682 -23.520 -24.356 1.00 0.00 O +HETATM34878 H1 T4P E6277 9.226 -23.481 -25.196 1.00 0.00 H +HETATM34879 H2 T4P E6277 9.476 -22.687 -23.932 1.00 0.00 H +HETATM34880 O T4P E6278 -17.113 2.630 31.189 1.00 0.00 O +HETATM34881 H1 T4P E6278 -16.230 2.998 31.149 1.00 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E6312 14.401 16.511 -16.146 1.00 0.00 O +HETATM34983 H1 T4P E6312 15.206 16.150 -15.776 1.00 0.00 H +HETATM34984 H2 T4P E6312 14.007 17.004 -15.427 1.00 0.00 H +HETATM34985 O T4P E6313 -3.474 -6.941 -38.529 1.00 0.00 O +HETATM34986 H1 T4P E6313 -2.578 -6.639 -38.379 1.00 0.00 H +HETATM34987 H2 T4P E6313 -3.664 -7.509 -37.783 1.00 0.00 H +HETATM34988 O T4P E6314 -25.181 26.371 -32.135 1.00 0.00 O +HETATM34989 H1 T4P E6314 -24.716 26.255 -31.307 1.00 0.00 H +HETATM34990 H2 T4P E6314 -25.648 27.201 -32.034 1.00 0.00 H +HETATM34991 O T4P E6315 11.898 -26.302 40.797 1.00 0.00 O +HETATM34992 H1 T4P E6315 11.978 -25.666 40.086 1.00 0.00 H +HETATM34993 H2 T4P E6315 11.052 -26.724 40.648 1.00 0.00 H +HETATM34994 O T4P E6316 -8.210 -13.333 16.583 1.00 0.00 O +HETATM34995 H1 T4P E6316 -9.081 -13.084 16.890 1.00 0.00 H +HETATM34996 H2 T4P E6316 -8.331 -14.198 16.191 1.00 0.00 H +HETATM34997 O T4P E6317 -13.968 28.487 32.857 1.00 0.00 O +HETATM34998 H1 T4P E6317 -13.052 28.717 32.704 1.00 0.00 H 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44.162 1.00 0.00 O +HETATM35016 H1 T4P E6323 -1.545 24.331 43.871 1.00 0.00 H +HETATM35017 H2 T4P E6323 -2.444 25.336 44.559 1.00 0.00 H +HETATM35018 O T4P E6324 32.676 -19.157 -18.804 1.00 0.00 O +HETATM35019 H1 T4P E6324 32.136 -19.573 -18.132 1.00 0.00 H +HETATM35020 H2 T4P E6324 33.322 -19.823 -19.039 1.00 0.00 H +HETATM35021 O T4P E6325 27.300 -7.039 -17.346 1.00 0.00 O +HETATM35022 H1 T4P E6325 27.805 -7.788 -17.662 1.00 0.00 H +HETATM35023 H2 T4P E6325 27.347 -7.104 -16.392 1.00 0.00 H +HETATM35024 O T4P E6326 -18.467 19.210 -14.159 1.00 0.00 O +HETATM35025 H1 T4P E6326 -18.574 19.525 -15.057 1.00 0.00 H +HETATM35026 H2 T4P E6326 -17.544 19.366 -13.959 1.00 0.00 H +HETATM35027 O T4P E6327 27.004 17.209 -31.942 1.00 0.00 O +HETATM35028 H1 T4P E6327 26.334 17.177 -31.259 1.00 0.00 H +HETATM35029 H2 T4P E6327 27.642 16.543 -31.684 1.00 0.00 H +HETATM35030 O T4P E6328 26.453 19.701 -27.534 1.00 0.00 O +HETATM35031 H1 T4P E6328 25.779 19.869 -26.876 1.00 0.00 H +HETATM35032 H2 T4P E6328 26.059 19.985 -28.359 1.00 0.00 H +HETATM35033 O T4P E6329 14.340 -18.641 21.049 1.00 0.00 O +HETATM35034 H1 T4P E6329 15.269 -18.611 21.275 1.00 0.00 H +HETATM35035 H2 T4P E6329 13.922 -18.044 21.670 1.00 0.00 H +HETATM35036 O T4P E6330 20.582 -27.956 -45.433 1.00 0.00 O +HETATM35037 H1 T4P E6330 20.658 -28.904 -45.540 1.00 0.00 H +HETATM35038 H2 T4P E6330 20.249 -27.841 -44.543 1.00 0.00 H +HETATM35039 O T4P E6331 33.703 -21.686 20.688 1.00 0.00 O +HETATM35040 H1 T4P E6331 33.950 -20.772 20.553 1.00 0.00 H +HETATM35041 H2 T4P E6331 32.896 -21.643 21.202 1.00 0.00 H +HETATM35042 O T4P E6332 25.460 8.054 24.223 1.00 0.00 O +HETATM35043 H1 T4P E6332 26.345 7.704 24.119 1.00 0.00 H +HETATM35044 H2 T4P E6332 25.518 8.953 23.901 1.00 0.00 H +HETATM35045 O T4P E6333 29.691 16.201 -28.997 1.00 0.00 O +HETATM35046 H1 T4P E6333 29.553 15.600 -29.729 1.00 0.00 H +HETATM35047 H2 T4P E6333 29.241 17.005 -29.258 1.00 0.00 H +HETATM35048 O T4P E6334 34.994 -1.331 14.857 1.00 0.00 O 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E6407 27.299 16.828 19.646 1.00 0.00 O +HETATM35268 H1 T4P E6407 27.776 16.577 20.437 1.00 0.00 H +HETATM35269 H2 T4P E6407 26.462 16.369 19.715 1.00 0.00 H +HETATM35270 O T4P E6408 32.388 -4.223 -39.945 1.00 0.00 O +HETATM35271 H1 T4P E6408 32.424 -3.378 -40.393 1.00 0.00 H +HETATM35272 H2 T4P E6408 31.453 -4.415 -39.869 1.00 0.00 H +HETATM35273 O T4P E6409 6.494 23.157 -21.375 1.00 0.00 O +HETATM35274 H1 T4P E6409 7.431 23.352 -21.391 1.00 0.00 H +HETATM35275 H2 T4P E6409 6.288 23.044 -20.448 1.00 0.00 H +HETATM35276 O T4P E6410 -9.227 22.237 -28.654 1.00 0.00 O +HETATM35277 H1 T4P E6410 -9.975 22.485 -28.109 1.00 0.00 H +HETATM35278 H2 T4P E6410 -8.800 23.066 -28.867 1.00 0.00 H +HETATM35279 O T4P E6411 12.054 -16.882 -45.139 1.00 0.00 O +HETATM35280 H1 T4P E6411 12.850 -16.795 -45.664 1.00 0.00 H +HETATM35281 H2 T4P E6411 11.443 -16.253 -45.524 1.00 0.00 H +HETATM35282 O T4P E6412 -31.679 -14.571 24.185 1.00 0.00 O +HETATM35283 H1 T4P E6412 -31.265 -14.029 23.513 1.00 0.00 H 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-30.491 1.00 0.00 O +HETATM35301 H1 T4P E6418 -29.741 14.985 -31.044 1.00 0.00 H +HETATM35302 H2 T4P E6418 -29.297 14.655 -29.635 1.00 0.00 H +HETATM35303 O T4P E6419 10.381 0.160 35.455 1.00 0.00 O +HETATM35304 H1 T4P E6419 11.312 0.297 35.276 1.00 0.00 H +HETATM35305 H2 T4P E6419 9.949 0.926 35.076 1.00 0.00 H +HETATM35306 O T4P E6420 23.519 2.384 -13.466 1.00 0.00 O +HETATM35307 H1 T4P E6420 24.464 2.234 -13.433 1.00 0.00 H +HETATM35308 H2 T4P E6420 23.408 3.286 -13.167 1.00 0.00 H +HETATM35309 O T4P E6421 -6.435 14.519 -24.746 1.00 0.00 O +HETATM35310 H1 T4P E6421 -5.580 14.798 -25.072 1.00 0.00 H +HETATM35311 H2 T4P E6421 -6.788 13.964 -25.441 1.00 0.00 H +HETATM35312 O T4P E6422 13.033 12.225 -22.498 1.00 0.00 O +HETATM35313 H1 T4P E6422 13.715 12.194 -23.169 1.00 0.00 H +HETATM35314 H2 T4P E6422 13.198 11.456 -21.952 1.00 0.00 H +HETATM35315 O T4P E6423 -8.312 -23.482 30.740 1.00 0.00 O +HETATM35316 H1 T4P E6423 -9.163 -23.253 31.113 1.00 0.00 H +HETATM35317 H2 T4P E6423 -7.681 -22.978 31.254 1.00 0.00 H +HETATM35318 O T4P E6424 33.968 -15.851 28.040 1.00 0.00 O +HETATM35319 H1 T4P E6424 34.277 -16.746 27.901 1.00 0.00 H +HETATM35320 H2 T4P E6424 33.928 -15.471 27.162 1.00 0.00 H +HETATM35321 O T4P E6425 25.371 18.307 -37.566 1.00 0.00 O +HETATM35322 H1 T4P E6425 25.024 18.582 -36.717 1.00 0.00 H +HETATM35323 H2 T4P E6425 25.616 19.124 -38.000 1.00 0.00 H +HETATM35324 O T4P E6426 -15.280 6.349 -46.354 1.00 0.00 O +HETATM35325 H1 T4P E6426 -15.762 5.575 -46.061 1.00 0.00 H +HETATM35326 H2 T4P E6426 -14.562 6.436 -45.726 1.00 0.00 H +HETATM35327 O T4P E6427 16.145 -15.112 37.620 1.00 0.00 O +HETATM35328 H1 T4P E6427 15.731 -15.761 37.052 1.00 0.00 H +HETATM35329 H2 T4P E6427 15.956 -15.414 38.508 1.00 0.00 H +HETATM35330 O T4P E6428 -16.564 0.076 20.479 1.00 0.00 O +HETATM35331 H1 T4P E6428 -16.871 -0.234 21.331 1.00 0.00 H +HETATM35332 H2 T4P E6428 -15.652 0.325 20.629 1.00 0.00 H +HETATM35333 O T4P E6429 34.768 -28.630 23.131 1.00 0.00 O +HETATM35334 H1 T4P E6429 33.845 -28.561 23.375 1.00 0.00 H +HETATM35335 H2 T4P E6429 34.774 -28.520 22.180 1.00 0.00 H +HETATM35336 O T4P E6430 7.920 24.881 -30.784 1.00 0.00 O +HETATM35337 H1 T4P E6430 7.366 24.553 -31.492 1.00 0.00 H +HETATM35338 H2 T4P E6430 8.375 24.104 -30.456 1.00 0.00 H +HETATM35339 O T4P E6431 2.976 -21.855 46.397 1.00 0.00 O +HETATM35340 H1 T4P E6431 3.604 -21.569 45.734 1.00 0.00 H +HETATM35341 H2 T4P E6431 2.119 -21.681 46.006 1.00 0.00 H +HETATM35342 O T4P E6432 -27.210 5.149 20.308 1.00 0.00 O +HETATM35343 H1 T4P E6432 -26.481 4.772 19.815 1.00 0.00 H +HETATM35344 H2 T4P E6432 -27.251 4.629 21.110 1.00 0.00 H +HETATM35345 O T4P E6433 -34.610 12.465 -45.700 1.00 0.00 O +HETATM35346 H1 T4P E6433 -35.125 12.774 -44.954 1.00 0.00 H +HETATM35347 H2 T4P E6433 -33.707 12.691 -45.478 1.00 0.00 H +HETATM35348 O T4P E6434 20.241 -28.699 -37.321 1.00 0.00 O +HETATM35349 H1 T4P E6434 20.747 -28.566 -38.122 1.00 0.00 H +HETATM35350 H2 T4P E6434 19.330 -28.729 -37.614 1.00 0.00 H 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E7255 -21.172 16.732 30.345 1.00 0.00 O +HETATM37812 H1 T4P E7255 -20.892 17.130 31.170 1.00 0.00 H +HETATM37813 H2 T4P E7255 -20.902 17.357 29.673 1.00 0.00 H +HETATM37814 O T4P E7256 18.749 20.355 22.925 1.00 0.00 O +HETATM37815 H1 T4P E7256 18.627 19.837 23.721 1.00 0.00 H +HETATM37816 H2 T4P E7256 19.035 21.213 23.237 1.00 0.00 H +HETATM37817 O T4P E7257 -19.959 4.447 -39.845 1.00 0.00 O +HETATM37818 H1 T4P E7257 -19.050 4.518 -39.555 1.00 0.00 H +HETATM37819 H2 T4P E7257 -20.476 4.630 -39.060 1.00 0.00 H +HETATM37820 O T4P E7258 -3.088 -18.186 45.219 1.00 0.00 O +HETATM37821 H1 T4P E7258 -3.519 -17.350 45.043 1.00 0.00 H +HETATM37822 H2 T4P E7258 -3.775 -18.841 45.099 1.00 0.00 H +HETATM37823 O T4P E7259 -0.874 -0.532 -25.074 1.00 0.00 O +HETATM37824 H1 T4P E7259 -1.420 -1.176 -25.524 1.00 0.00 H +HETATM37825 H2 T4P E7259 -0.974 0.269 -25.588 1.00 0.00 H +HETATM37826 O T4P E7260 -23.941 0.636 -43.627 1.00 0.00 O +HETATM37827 H1 T4P E7260 -23.098 0.199 -43.751 1.00 0.00 H 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O T4P E7294 26.723 20.233 -31.626 1.00 0.00 O +HETATM37929 H1 T4P E7294 27.356 20.245 -30.907 1.00 0.00 H +HETATM37930 H2 T4P E7294 26.632 19.306 -31.850 1.00 0.00 H +HETATM37931 O T4P E7295 10.082 -22.334 41.559 1.00 0.00 O +HETATM37932 H1 T4P E7295 9.737 -21.442 41.576 1.00 0.00 H +HETATM37933 H2 T4P E7295 9.451 -22.825 41.032 1.00 0.00 H +HETATM37934 O T4P E7296 -28.225 23.755 -24.263 1.00 0.00 O +HETATM37935 H1 T4P E7296 -28.215 23.590 -23.321 1.00 0.00 H +HETATM37936 H2 T4P E7296 -28.083 24.698 -24.343 1.00 0.00 H +HETATM37937 O T4P E7297 -19.721 -13.612 -45.630 1.00 0.00 O +HETATM37938 H1 T4P E7297 -19.546 -12.762 -46.034 1.00 0.00 H +HETATM37939 H2 T4P E7297 -20.646 -13.574 -45.383 1.00 0.00 H +HETATM37940 O T4P E7298 23.478 25.010 -19.176 1.00 0.00 O +HETATM37941 H1 T4P E7298 23.472 24.876 -18.229 1.00 0.00 H +HETATM37942 H2 T4P E7298 24.317 24.650 -19.464 1.00 0.00 H +HETATM37943 O T4P E7299 14.821 27.377 -15.651 1.00 0.00 O +HETATM37944 H1 T4P E7299 14.771 28.196 -15.157 1.00 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E7321 17.728 8.578 33.904 1.00 0.00 H +HETATM38012 O T4P E7322 26.342 14.581 24.350 1.00 0.00 O +HETATM38013 H1 T4P E7322 25.723 13.889 24.582 1.00 0.00 H +HETATM38014 H2 T4P E7322 27.192 14.142 24.319 1.00 0.00 H +HETATM38015 O T4P E7323 31.059 -25.465 32.584 1.00 0.00 O +HETATM38016 H1 T4P E7323 30.750 -26.152 31.994 1.00 0.00 H +HETATM38017 H2 T4P E7323 30.879 -25.802 33.461 1.00 0.00 H +HETATM38018 O T4P E7324 28.356 -22.387 21.911 1.00 0.00 O +HETATM38019 H1 T4P E7324 27.891 -22.981 21.322 1.00 0.00 H +HETATM38020 H2 T4P E7324 28.112 -22.680 22.789 1.00 0.00 H +HETATM38021 O T4P E7325 7.038 11.577 37.958 1.00 0.00 O +HETATM38022 H1 T4P E7325 7.582 12.300 37.645 1.00 0.00 H +HETATM38023 H2 T4P E7325 6.923 11.014 37.193 1.00 0.00 H +HETATM38024 O T4P E7326 19.597 -7.289 19.930 1.00 0.00 O +HETATM38025 H1 T4P E7326 20.141 -6.511 19.806 1.00 0.00 H +HETATM38026 H2 T4P E7326 18.989 -7.278 19.191 1.00 0.00 H +HETATM38027 O T4P E7327 0.525 7.232 -25.618 1.00 0.00 O +HETATM38028 H1 T4P E7327 -0.148 7.886 -25.427 1.00 0.00 H +HETATM38029 H2 T4P E7327 0.318 6.499 -25.038 1.00 0.00 H +HETATM38030 O T4P E7328 32.023 -2.941 -24.270 1.00 0.00 O +HETATM38031 H1 T4P E7328 32.782 -2.715 -24.807 1.00 0.00 H +HETATM38032 H2 T4P E7328 31.808 -2.133 -23.804 1.00 0.00 H +HETATM38033 O T4P E7329 9.175 -24.668 37.810 1.00 0.00 O +HETATM38034 H1 T4P E7329 9.506 -25.567 37.805 1.00 0.00 H +HETATM38035 H2 T4P E7329 9.933 -24.132 37.577 1.00 0.00 H +HETATM38036 O T4P E7330 21.274 2.213 -43.837 1.00 0.00 O +HETATM38037 H1 T4P E7330 22.231 2.209 -43.809 1.00 0.00 H +HETATM38038 H2 T4P E7330 21.061 2.347 -44.760 1.00 0.00 H +HETATM38039 O T4P E7331 -30.470 20.221 30.137 1.00 0.00 O +HETATM38040 H1 T4P E7331 -29.973 20.712 29.482 1.00 0.00 H +HETATM38041 H2 T4P E7331 -29.862 20.113 30.868 1.00 0.00 H +HETATM38042 O T4P E7332 26.673 -7.703 -20.275 1.00 0.00 O +HETATM38043 H1 T4P E7332 27.478 -7.581 -20.779 1.00 0.00 H +HETATM38044 H2 T4P E7332 25.977 -7.714 -20.932 1.00 0.00 H +HETATM38045 O T4P E7333 -19.000 17.584 -25.927 1.00 0.00 O +HETATM38046 H1 T4P E7333 -18.866 18.454 -26.304 1.00 0.00 H +HETATM38047 H2 T4P E7333 -19.932 17.409 -26.053 1.00 0.00 H +HETATM38048 O T4P E7334 -15.928 11.327 -37.488 1.00 0.00 O +HETATM38049 H1 T4P E7334 -16.652 11.335 -38.114 1.00 0.00 H +HETATM38050 H2 T4P E7334 -16.309 11.663 -36.676 1.00 0.00 H +HETATM38051 O T4P E7335 9.716 -1.609 28.177 1.00 0.00 O +HETATM38052 H1 T4P E7335 10.075 -1.263 27.360 1.00 0.00 H +HETATM38053 H2 T4P E7335 10.196 -1.149 28.865 1.00 0.00 H +HETATM38054 O T4P E7336 2.381 13.217 -18.325 1.00 0.00 O +HETATM38055 H1 T4P E7336 2.307 13.211 -19.280 1.00 0.00 H +HETATM38056 H2 T4P E7336 1.478 13.285 -18.015 1.00 0.00 H +HETATM38057 O T4P E7337 31.942 20.777 35.923 1.00 0.00 O +HETATM38058 H1 T4P E7337 31.166 21.192 35.548 1.00 0.00 H +HETATM38059 H2 T4P E7337 32.335 21.455 36.473 1.00 0.00 H +HETATM38060 O T4P E7338 12.844 15.911 33.814 1.00 0.00 O +HETATM38061 H1 T4P E7338 12.667 15.002 34.055 1.00 0.00 H 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E7433 -14.740 3.703 -35.670 1.00 0.00 H +HETATM38348 O T4P E7434 -14.233 12.152 35.235 1.00 0.00 O +HETATM38349 H1 T4P E7434 -13.398 12.057 34.777 1.00 0.00 H +HETATM38350 H2 T4P E7434 -14.242 13.063 35.531 1.00 0.00 H +HETATM38351 O T4P E7435 -5.021 6.791 31.214 1.00 0.00 O +HETATM38352 H1 T4P E7435 -4.589 6.354 31.949 1.00 0.00 H +HETATM38353 H2 T4P E7435 -4.388 6.737 30.498 1.00 0.00 H +HETATM38354 O T4P E7436 18.397 -23.947 -25.691 1.00 0.00 O +HETATM38355 H1 T4P E7436 17.532 -23.546 -25.772 1.00 0.00 H +HETATM38356 H2 T4P E7436 18.759 -23.918 -26.577 1.00 0.00 H +HETATM38357 O T4P E7437 -4.533 17.474 -36.424 1.00 0.00 O +HETATM38358 H1 T4P E7437 -4.890 18.241 -35.977 1.00 0.00 H +HETATM38359 H2 T4P E7437 -5.211 17.225 -37.052 1.00 0.00 H +HETATM38360 O T4P E7438 1.124 -16.578 38.035 1.00 0.00 O +HETATM38361 H1 T4P E7438 0.228 -16.480 37.711 1.00 0.00 H +HETATM38362 H2 T4P E7438 1.489 -17.296 37.519 1.00 0.00 H +HETATM38363 O T4P E7439 -23.434 12.946 42.081 1.00 0.00 O +HETATM38364 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0.00 H +HETATM38381 O T4P E7445 -32.767 13.318 -17.335 1.00 0.00 O +HETATM38382 H1 T4P E7445 -33.025 12.402 -17.231 1.00 0.00 H +HETATM38383 H2 T4P E7445 -32.300 13.529 -16.526 1.00 0.00 H +HETATM38384 O T4P E7446 -4.513 27.838 23.104 1.00 0.00 O +HETATM38385 H1 T4P E7446 -4.920 27.539 22.291 1.00 0.00 H +HETATM38386 H2 T4P E7446 -3.808 27.211 23.265 1.00 0.00 H +HETATM38387 O T4P E7447 31.761 -15.803 -36.232 1.00 0.00 O +HETATM38388 H1 T4P E7447 32.203 -16.633 -36.052 1.00 0.00 H +HETATM38389 H2 T4P E7447 30.874 -15.927 -35.894 1.00 0.00 H +HETATM38390 O T4P E7448 -12.455 -22.494 -32.813 1.00 0.00 O +HETATM38391 H1 T4P E7448 -12.693 -22.308 -31.904 1.00 0.00 H +HETATM38392 H2 T4P E7448 -11.524 -22.278 -32.866 1.00 0.00 H +HETATM38393 O T4P E7449 -8.221 -0.646 -33.218 1.00 0.00 O +HETATM38394 H1 T4P E7449 -9.114 -0.816 -32.916 1.00 0.00 H +HETATM38395 H2 T4P E7449 -7.951 0.137 -32.737 1.00 0.00 H +HETATM38396 O T4P E7450 21.803 17.778 37.317 1.00 0.00 O +HETATM38397 H1 T4P E7450 22.678 17.812 36.929 1.00 0.00 H +HETATM38398 H2 T4P E7450 21.385 18.592 37.036 1.00 0.00 H +HETATM38399 O T4P E7451 7.407 -4.009 -25.130 1.00 0.00 O +HETATM38400 H1 T4P E7451 7.780 -3.981 -24.249 1.00 0.00 H +HETATM38401 H2 T4P E7451 7.218 -4.935 -25.281 1.00 0.00 H +HETATM38402 O T4P E7452 -3.948 3.232 -45.156 1.00 0.00 O +HETATM38403 H1 T4P E7452 -4.125 2.719 -44.367 1.00 0.00 H +HETATM38404 H2 T4P E7452 -3.848 4.130 -44.842 1.00 0.00 H +HETATM38405 O T4P E7453 31.684 14.413 26.937 1.00 0.00 O +HETATM38406 H1 T4P E7453 31.711 13.459 27.001 1.00 0.00 H +HETATM38407 H2 T4P E7453 32.274 14.717 27.628 1.00 0.00 H +HETATM38408 O T4P E7454 -27.819 -20.755 -19.030 1.00 0.00 O +HETATM38409 H1 T4P E7454 -28.025 -19.918 -19.446 1.00 0.00 H +HETATM38410 H2 T4P E7454 -26.866 -20.826 -19.093 1.00 0.00 H +HETATM38411 O T4P E7455 2.803 -21.672 22.867 1.00 0.00 O +HETATM38412 H1 T4P E7455 2.509 -21.501 23.761 1.00 0.00 H +HETATM38413 H2 T4P E7455 2.395 -20.982 22.344 1.00 0.00 H +HETATM38414 O T4P E7456 10.943 -21.157 30.814 1.00 0.00 O +HETATM38415 H1 T4P E7456 11.626 -21.534 31.369 1.00 0.00 H +HETATM38416 H2 T4P E7456 10.980 -21.671 30.007 1.00 0.00 H +HETATM38417 O T4P E7457 -3.455 -9.731 -28.991 1.00 0.00 O +HETATM38418 H1 T4P E7457 -4.251 -9.363 -28.607 1.00 0.00 H +HETATM38419 H2 T4P E7457 -3.259 -10.496 -28.450 1.00 0.00 H +HETATM38420 O T4P E7458 -9.452 7.382 31.490 1.00 0.00 O +HETATM38421 H1 T4P E7458 -8.723 7.533 32.092 1.00 0.00 H +HETATM38422 H2 T4P E7458 -10.137 7.980 31.788 1.00 0.00 H +HETATM38423 O T4P E7459 -10.851 27.350 30.939 1.00 0.00 O +HETATM38424 H1 T4P E7459 -10.588 27.727 30.099 1.00 0.00 H +HETATM38425 H2 T4P E7459 -10.652 28.032 31.581 1.00 0.00 H +HETATM38426 O T4P E7460 8.478 -7.573 28.729 1.00 0.00 O +HETATM38427 H1 T4P E7460 8.781 -8.400 28.356 1.00 0.00 H +HETATM38428 H2 T4P E7460 7.795 -7.825 29.351 1.00 0.00 H +HETATM38429 O T4P E7461 18.499 -25.718 -39.318 1.00 0.00 O +HETATM38430 H1 T4P E7461 18.007 -26.539 -39.284 1.00 0.00 H +HETATM38431 H2 T4P E7461 18.959 -25.680 -38.479 1.00 0.00 H +HETATM38432 O T4P E7462 13.631 10.483 -20.435 1.00 0.00 O +HETATM38433 H1 T4P E7462 14.240 9.759 -20.584 1.00 0.00 H +HETATM38434 H2 T4P E7462 13.764 10.723 -19.518 1.00 0.00 H +HETATM38435 O T4P E7463 -0.848 24.564 26.965 1.00 0.00 O +HETATM38436 H1 T4P E7463 -0.659 25.391 27.408 1.00 0.00 H +HETATM38437 H2 T4P E7463 -1.734 24.337 27.248 1.00 0.00 H +HETATM38438 O T4P E7464 -26.552 -22.125 42.839 1.00 0.00 O +HETATM38439 H1 T4P E7464 -26.906 -21.848 41.994 1.00 0.00 H +HETATM38440 H2 T4P E7464 -27.120 -22.845 43.113 1.00 0.00 H +HETATM38441 O T4P E7465 25.704 23.727 -10.342 1.00 0.00 O +HETATM38442 H1 T4P E7465 26.349 23.354 -10.942 1.00 0.00 H +HETATM38443 H2 T4P E7465 26.220 24.046 -9.602 1.00 0.00 H +HETATM38444 O T4P E7466 -11.951 25.788 27.661 1.00 0.00 O +HETATM38445 H1 T4P E7466 -12.802 25.980 28.056 1.00 0.00 H +HETATM38446 H2 T4P E7466 -12.148 25.610 26.742 1.00 0.00 H +HETATM38447 O T4P E7467 29.685 8.205 -36.008 1.00 0.00 O 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H2 T4P E7753 -2.045 -21.265 22.026 1.00 0.00 H +HETATM39308 O T4P E7754 7.653 -23.389 24.811 1.00 0.00 O +HETATM39309 H1 T4P E7754 8.121 -22.896 25.484 1.00 0.00 H +HETATM39310 H2 T4P E7754 8.338 -23.862 24.340 1.00 0.00 H +HETATM39311 O T4P E7755 11.721 -0.376 -20.008 1.00 0.00 O +HETATM39312 H1 T4P E7755 11.888 -0.995 -19.297 1.00 0.00 H +HETATM39313 H2 T4P E7755 11.253 -0.889 -20.667 1.00 0.00 H +HETATM39314 O T4P E7756 6.588 -6.602 -25.071 1.00 0.00 O +HETATM39315 H1 T4P E7756 5.976 -6.790 -25.783 1.00 0.00 H +HETATM39316 H2 T4P E7756 6.050 -6.190 -24.395 1.00 0.00 H +HETATM39317 O T4P E7757 8.430 -21.298 -23.009 1.00 0.00 O +HETATM39318 H1 T4P E7757 8.779 -20.430 -22.805 1.00 0.00 H +HETATM39319 H2 T4P E7757 7.524 -21.137 -23.271 1.00 0.00 H +HETATM39320 O T4P E7758 4.725 15.699 -19.351 1.00 0.00 O +HETATM39321 H1 T4P E7758 5.005 15.845 -18.447 1.00 0.00 H +HETATM39322 H2 T4P E7758 4.038 16.350 -19.497 1.00 0.00 H +HETATM39323 O T4P E7759 6.304 5.090 29.912 1.00 0.00 O +HETATM39324 H1 T4P E7759 7.211 5.396 29.882 1.00 0.00 H +HETATM39325 H2 T4P E7759 6.353 4.240 30.349 1.00 0.00 H +HETATM39326 O T4P E7760 -10.919 1.901 -24.338 1.00 0.00 O +HETATM39327 H1 T4P E7760 -11.078 1.480 -23.494 1.00 0.00 H +HETATM39328 H2 T4P E7760 -10.176 1.424 -24.708 1.00 0.00 H +HETATM39329 O T4P E7761 12.793 2.224 -22.851 1.00 0.00 O +HETATM39330 H1 T4P E7761 12.310 2.790 -23.454 1.00 0.00 H +HETATM39331 H2 T4P E7761 13.660 2.138 -23.247 1.00 0.00 H +HETATM39332 O T4P E7762 21.185 -0.839 -16.364 1.00 0.00 O +HETATM39333 H1 T4P E7762 20.555 -0.158 -16.126 1.00 0.00 H +HETATM39334 H2 T4P E7762 22.031 -0.493 -16.079 1.00 0.00 H +HETATM39335 O T4P E7763 -4.723 16.861 30.556 1.00 0.00 O +HETATM39336 H1 T4P E7763 -5.256 16.268 31.087 1.00 0.00 H +HETATM39337 H2 T4P E7763 -5.342 17.253 29.940 1.00 0.00 H +HETATM39338 O T4P E7764 -5.441 -26.195 -27.159 1.00 0.00 O +HETATM39339 H1 T4P E7764 -5.371 -25.605 -26.408 1.00 0.00 H +HETATM39340 H2 T4P E7764 -5.949 -25.703 -27.804 1.00 0.00 H +HETATM39341 O T4P E7765 3.701 14.231 -14.981 1.00 0.00 O +HETATM39342 H1 T4P E7765 3.374 14.911 -15.569 1.00 0.00 H +HETATM39343 H2 T4P E7765 4.622 14.452 -14.847 1.00 0.00 H +HETATM39344 O T4P E7766 1.356 23.292 25.826 1.00 0.00 O +HETATM39345 H1 T4P E7766 1.493 22.573 26.443 1.00 0.00 H +HETATM39346 H2 T4P E7766 0.600 23.766 26.173 1.00 0.00 H +HETATM39347 O T4P E7767 12.165 -14.558 23.829 1.00 0.00 O +HETATM39348 H1 T4P E7767 13.049 -14.248 24.025 1.00 0.00 H +HETATM39349 H2 T4P E7767 11.642 -14.283 24.582 1.00 0.00 H +HETATM39350 O T4P E7768 27.260 -24.322 19.936 1.00 0.00 O +HETATM39351 H1 T4P E7768 26.418 -24.738 20.117 1.00 0.00 H +HETATM39352 H2 T4P E7768 27.081 -23.724 19.210 1.00 0.00 H +HETATM39353 O T4P E7769 10.601 -19.554 28.383 1.00 0.00 O +HETATM39354 H1 T4P E7769 11.020 -19.049 29.079 1.00 0.00 H +HETATM39355 H2 T4P E7769 9.746 -19.793 28.741 1.00 0.00 H +HETATM39356 O T4P E7770 -15.775 -28.609 31.916 1.00 0.00 O +HETATM39357 H1 T4P E7770 -15.548 -27.927 32.549 1.00 0.00 H +HETATM39358 H2 T4P E7770 -15.039 -29.220 31.948 1.00 0.00 H +HETATM39359 O T4P E7771 27.083 -14.910 40.310 1.00 0.00 O +HETATM39360 H1 T4P E7771 27.594 -14.867 39.502 1.00 0.00 H +HETATM39361 H2 T4P E7771 26.616 -14.074 40.343 1.00 0.00 H +HETATM39362 O T4P E7772 -1.619 -0.002 32.358 1.00 0.00 O +HETATM39363 H1 T4P E7772 -1.738 -0.950 32.408 1.00 0.00 H +HETATM39364 H2 T4P E7772 -0.691 0.134 32.549 1.00 0.00 H +HETATM39365 O T4P E7773 3.467 -1.454 26.006 1.00 0.00 O +HETATM39366 H1 T4P E7773 4.212 -1.437 26.607 1.00 0.00 H +HETATM39367 H2 T4P E7773 3.797 -1.049 25.204 1.00 0.00 H +HETATM39368 O T4P E7774 1.994 -23.563 26.085 1.00 0.00 O +HETATM39369 H1 T4P E7774 2.055 -24.036 26.915 1.00 0.00 H +HETATM39370 H2 T4P E7774 2.903 -23.377 25.848 1.00 0.00 H +HETATM39371 O T4P E7775 -6.373 6.029 21.010 1.00 0.00 O +HETATM39372 H1 T4P E7775 -5.766 6.759 20.891 1.00 0.00 H +HETATM39373 H2 T4P E7775 -6.273 5.781 21.929 1.00 0.00 H +HETATM39374 O T4P E7776 2.032 -10.084 34.599 1.00 0.00 O +HETATM39375 H1 T4P E7776 2.517 -10.587 33.944 1.00 0.00 H +HETATM39376 H2 T4P E7776 1.534 -10.741 35.085 1.00 0.00 H +HETATM39377 O T4P E7777 18.699 -1.364 -23.606 1.00 0.00 O +HETATM39378 H1 T4P E7777 17.930 -1.694 -23.141 1.00 0.00 H +HETATM39379 H2 T4P E7777 18.559 -1.622 -24.517 1.00 0.00 H +HETATM39380 O T4P E7778 -2.577 9.513 26.443 1.00 0.00 O +HETATM39381 H1 T4P E7778 -2.669 10.423 26.159 1.00 0.00 H +HETATM39382 H2 T4P E7778 -1.635 9.346 26.411 1.00 0.00 H +HETATM39383 O T4P E7779 -9.744 8.337 22.174 1.00 0.00 O +HETATM39384 H1 T4P E7779 -9.309 8.110 21.352 1.00 0.00 H +HETATM39385 H2 T4P E7779 -9.855 7.501 22.626 1.00 0.00 H +HETATM39386 O T4P E7780 12.604 13.846 17.095 1.00 0.00 O +HETATM39387 H1 T4P E7780 12.514 13.499 16.208 1.00 0.00 H +HETATM39388 H2 T4P E7780 13.490 13.600 17.361 1.00 0.00 H +HETATM39389 O T4P E7781 -2.778 14.321 32.095 1.00 0.00 O +HETATM39390 H1 T4P E7781 -3.353 13.606 31.824 1.00 0.00 H +HETATM39391 H2 T4P E7781 -3.286 14.802 32.749 1.00 0.00 H +HETATM39392 O T4P E7782 8.107 -26.566 21.207 1.00 0.00 O +HETATM39393 H1 T4P E7782 7.642 -25.846 20.781 1.00 0.00 H +HETATM39394 H2 T4P E7782 8.059 -27.287 20.579 1.00 0.00 H +TER 39395 T4P E7782 +CONECT 1087 2401 +CONECT 1117 2225 +CONECT 1151 2483 +CONECT 2225 1117 +CONECT 2401 1087 +CONECT 2483 1151 +CONECT 3182 3199 +CONECT 3199 3182 3200 3201 +CONECT 3200 3202 3203 3204 3199 +CONECT 3201 3199 +CONECT 3202 3200 +CONECT 3203 3200 +CONECT 3204 3200 +CONECT 3206 3207 3209 3210 3211 +CONECT 3207 3206 3208 3212 +CONECT 3208 3207 +CONECT 3209 3206 +CONECT 3210 3206 +CONECT 3211 3206 +CONECT 3212 3207 +CONECT 3858 3894 +CONECT 3894 3858 +CONECT 4640 4649 +CONECT 4649 4640 4650 4651 +CONECT 4650 4652 4653 4654 4649 +CONECT 4651 4649 +CONECT 4652 4650 +CONECT 4653 4650 +CONECT 4654 4650 +CONECT 4658 4661 4710 4711 4712 +CONECT 4659 4661 4713 4714 4715 +CONECT 4660 4661 4716 4717 4718 +CONECT 4661 4658 4659 4660 4662 +CONECT 4662 4661 4663 4719 4720 +CONECT 4663 4662 4664 4721 4722 +CONECT 4664 4663 4665 +CONECT 4665 4664 4666 4667 4668 +CONECT 4666 4665 +CONECT 4667 4665 +CONECT 4668 4665 4669 +CONECT 4669 4668 4670 4723 4724 +CONECT 4670 4669 4671 4689 4725 +CONECT 4671 4670 4672 +CONECT 4672 4671 4673 4674 +CONECT 4673 4672 +CONECT 4674 4672 4675 4726 4727 +CONECT 4675 4674 4676 4728 4729 +CONECT 4676 4675 4677 4730 4731 +CONECT 4677 4676 4678 4732 4733 +CONECT 4678 4677 4679 4734 4735 +CONECT 4679 4678 4680 4736 4737 +CONECT 4680 4679 4681 4738 4739 +CONECT 4681 4680 4682 4740 +CONECT 4682 4681 4683 4741 +CONECT 4683 4682 4684 4742 4743 +CONECT 4684 4683 4685 4744 4745 +CONECT 4685 4684 4686 4746 4747 +CONECT 4686 4685 4687 4748 4749 +CONECT 4687 4686 4688 4750 4751 +CONECT 4688 4687 4708 4752 4753 +CONECT 4689 4670 4690 4754 4755 +CONECT 4690 4689 4691 +CONECT 4691 4690 4692 4693 +CONECT 4692 4691 +CONECT 4693 4691 4694 4756 4757 +CONECT 4694 4693 4695 4758 4759 +CONECT 4695 4694 4696 4760 4761 +CONECT 4696 4695 4697 4762 4763 +CONECT 4697 4696 4698 4764 4765 +CONECT 4698 4697 4699 4766 4767 +CONECT 4699 4698 4700 4768 4769 +CONECT 4700 4699 4701 4770 4771 +CONECT 4701 4700 4702 4772 4773 +CONECT 4702 4701 4703 4774 4775 +CONECT 4703 4702 4704 4776 4777 +CONECT 4704 4703 4705 4778 4779 +CONECT 4705 4704 4706 4780 4781 +CONECT 4706 4705 4707 4782 4783 +CONECT 4707 4706 4784 4785 4786 +CONECT 4708 4688 4709 4787 4788 +CONECT 4709 4708 4789 4790 4791 +CONECT 4710 4658 +CONECT 4711 4658 +CONECT 4712 4658 +CONECT 4713 4659 +CONECT 4714 4659 +CONECT 4715 4659 +CONECT 4716 4660 +CONECT 4717 4660 +CONECT 4718 4660 +CONECT 4719 4662 +CONECT 4720 4662 +CONECT 4721 4663 +CONECT 4722 4663 +CONECT 4723 4669 +CONECT 4724 4669 +CONECT 4725 4670 +CONECT 4726 4674 +CONECT 4727 4674 +CONECT 4728 4675 +CONECT 4729 4675 +CONECT 4730 4676 +CONECT 4731 4676 +CONECT 4732 4677 +CONECT 4733 4677 +CONECT 4734 4678 +CONECT 4735 4678 +CONECT 4736 4679 +CONECT 4737 4679 +CONECT 4738 4680 +CONECT 4739 4680 +CONECT 4740 4681 +CONECT 4741 4682 +CONECT 4742 4683 +CONECT 4743 4683 +CONECT 4744 4684 +CONECT 4745 4684 +CONECT 4746 4685 +CONECT 4747 4685 +CONECT 4748 4686 +CONECT 4749 4686 +CONECT 4750 4687 +CONECT 4751 4687 +CONECT 4752 4688 +CONECT 4753 4688 +CONECT 4754 4689 +CONECT 4755 4689 +CONECT 4756 4693 +CONECT 4757 4693 +CONECT 4758 4694 +CONECT 4759 4694 +CONECT 4760 4695 +CONECT 4761 4695 +CONECT 4762 4696 +CONECT 4763 4696 +CONECT 4764 4697 +CONECT 4765 4697 +CONECT 4766 4698 +CONECT 4767 4698 +CONECT 4768 4699 +CONECT 4769 4699 +CONECT 4770 4700 +CONECT 4771 4700 +CONECT 4772 4701 +CONECT 4773 4701 +CONECT 4774 4702 +CONECT 4775 4702 +CONECT 4776 4703 +CONECT 4777 4703 +CONECT 4778 4704 +CONECT 4779 4704 +CONECT 4780 4705 +CONECT 4781 4705 +CONECT 4782 4706 +CONECT 4783 4706 +CONECT 4784 4707 +CONECT 4785 4707 +CONECT 4786 4707 +CONECT 4787 4708 +CONECT 4788 4708 +CONECT 4789 4709 +CONECT 4790 4709 +CONECT 4791 4709 +CONECT 4792 4795 4844 4845 4846 +CONECT 4793 4795 4847 4848 4849 +CONECT 4794 4795 4850 4851 4852 +CONECT 4795 4792 4793 4794 4796 +CONECT 4796 4795 4797 4853 4854 +CONECT 4797 4796 4798 4855 4856 +CONECT 4798 4797 4799 +CONECT 4799 4798 4800 4801 4802 +CONECT 4800 4799 +CONECT 4801 4799 +CONECT 4802 4799 4803 +CONECT 4803 4802 4804 4857 4858 +CONECT 4804 4803 4805 4823 4859 +CONECT 4805 4804 4806 +CONECT 4806 4805 4807 4808 +CONECT 4807 4806 +CONECT 4808 4806 4809 4860 4861 +CONECT 4809 4808 4810 4862 4863 +CONECT 4810 4809 4811 4864 4865 +CONECT 4811 4810 4812 4866 4867 +CONECT 4812 4811 4813 4868 4869 +CONECT 4813 4812 4814 4870 4871 +CONECT 4814 4813 4815 4872 4873 +CONECT 4815 4814 4816 4874 +CONECT 4816 4815 4817 4875 +CONECT 4817 4816 4818 4876 4877 +CONECT 4818 4817 4819 4878 4879 +CONECT 4819 4818 4820 4880 4881 +CONECT 4820 4819 4821 4882 4883 +CONECT 4821 4820 4822 4884 4885 +CONECT 4822 4821 4842 4886 4887 +CONECT 4823 4804 4824 4888 4889 +CONECT 4824 4823 4825 +CONECT 4825 4824 4826 4827 +CONECT 4826 4825 +CONECT 4827 4825 4828 4890 4891 +CONECT 4828 4827 4829 4892 4893 +CONECT 4829 4828 4830 4894 4895 +CONECT 4830 4829 4831 4896 4897 +CONECT 4831 4830 4832 4898 4899 +CONECT 4832 4831 4833 4900 4901 +CONECT 4833 4832 4834 4902 4903 +CONECT 4834 4833 4835 4904 4905 +CONECT 4835 4834 4836 4906 4907 +CONECT 4836 4835 4837 4908 4909 +CONECT 4837 4836 4838 4910 4911 +CONECT 4838 4837 4839 4912 4913 +CONECT 4839 4838 4840 4914 4915 +CONECT 4840 4839 4841 4916 4917 +CONECT 4841 4840 4918 4919 4920 +CONECT 4842 4822 4843 4921 4922 +CONECT 4843 4842 4923 4924 4925 +CONECT 4844 4792 +CONECT 4845 4792 +CONECT 4846 4792 +CONECT 4847 4793 +CONECT 4848 4793 +CONECT 4849 4793 +CONECT 4850 4794 +CONECT 4851 4794 +CONECT 4852 4794 +CONECT 4853 4796 +CONECT 4854 4796 +CONECT 4855 4797 +CONECT 4856 4797 +CONECT 4857 4803 +CONECT 4858 4803 +CONECT 4859 4804 +CONECT 4860 4808 +CONECT 4861 4808 +CONECT 4862 4809 +CONECT 4863 4809 +CONECT 4864 4810 +CONECT 4865 4810 +CONECT 4866 4811 +CONECT 4867 4811 +CONECT 4868 4812 +CONECT 4869 4812 +CONECT 4870 4813 +CONECT 4871 4813 +CONECT 4872 4814 +CONECT 4873 4814 +CONECT 4874 4815 +CONECT 4875 4816 +CONECT 4876 4817 +CONECT 4877 4817 +CONECT 4878 4818 +CONECT 4879 4818 +CONECT 4880 4819 +CONECT 4881 4819 +CONECT 4882 4820 +CONECT 4883 4820 +CONECT 4884 4821 +CONECT 4885 4821 +CONECT 4886 4822 +CONECT 4887 4822 +CONECT 4888 4823 +CONECT 4889 4823 +CONECT 4890 4827 +CONECT 4891 4827 +CONECT 4892 4828 +CONECT 4893 4828 +CONECT 4894 4829 +CONECT 4895 4829 +CONECT 4896 4830 +CONECT 4897 4830 +CONECT 4898 4831 +CONECT 4899 4831 +CONECT 4900 4832 +CONECT 4901 4832 +CONECT 4902 4833 +CONECT 4903 4833 +CONECT 4904 4834 +CONECT 4905 4834 +CONECT 4906 4835 +CONECT 4907 4835 +CONECT 4908 4836 +CONECT 4909 4836 +CONECT 4910 4837 +CONECT 4911 4837 +CONECT 4912 4838 +CONECT 4913 4838 +CONECT 4914 4839 +CONECT 4915 4839 +CONECT 4916 4840 +CONECT 4917 4840 +CONECT 4918 4841 +CONECT 4919 4841 +CONECT 4920 4841 +CONECT 4921 4842 +CONECT 4922 4842 +CONECT 4923 4843 +CONECT 4924 4843 +CONECT 4925 4843 +CONECT 4926 4929 4978 4979 4980 +CONECT 4927 4929 4981 4982 4983 +CONECT 4928 4929 4984 4985 4986 +CONECT 4929 4926 4927 4928 4930 +CONECT 4930 4929 4931 4987 4988 +CONECT 4931 4930 4932 4989 4990 +CONECT 4932 4931 4933 +CONECT 4933 4932 4934 4935 4936 +CONECT 4934 4933 +CONECT 4935 4933 +CONECT 4936 4933 4937 +CONECT 4937 4936 4938 4991 4992 +CONECT 4938 4937 4939 4957 4993 +CONECT 4939 4938 4940 +CONECT 4940 4939 4941 4942 +CONECT 4941 4940 +CONECT 4942 4940 4943 4994 4995 +CONECT 4943 4942 4944 4996 4997 +CONECT 4944 4943 4945 4998 4999 +CONECT 4945 4944 4946 5000 5001 +CONECT 4946 4945 4947 5002 5003 +CONECT 4947 4946 4948 5004 5005 +CONECT 4948 4947 4949 5006 5007 +CONECT 4949 4948 4950 5008 +CONECT 4950 4949 4951 5009 +CONECT 4951 4950 4952 5010 5011 +CONECT 4952 4951 4953 5012 5013 +CONECT 4953 4952 4954 5014 5015 +CONECT 4954 4953 4955 5016 5017 +CONECT 4955 4954 4956 5018 5019 +CONECT 4956 4955 4976 5020 5021 +CONECT 4957 4938 4958 5022 5023 +CONECT 4958 4957 4959 +CONECT 4959 4958 4960 4961 +CONECT 4960 4959 +CONECT 4961 4959 4962 5024 5025 +CONECT 4962 4961 4963 5026 5027 +CONECT 4963 4962 4964 5028 5029 +CONECT 4964 4963 4965 5030 5031 +CONECT 4965 4964 4966 5032 5033 +CONECT 4966 4965 4967 5034 5035 +CONECT 4967 4966 4968 5036 5037 +CONECT 4968 4967 4969 5038 5039 +CONECT 4969 4968 4970 5040 5041 +CONECT 4970 4969 4971 5042 5043 +CONECT 4971 4970 4972 5044 5045 +CONECT 4972 4971 4973 5046 5047 +CONECT 4973 4972 4974 5048 5049 +CONECT 4974 4973 4975 5050 5051 +CONECT 4975 4974 5052 5053 5054 +CONECT 4976 4956 4977 5055 5056 +CONECT 4977 4976 5057 5058 5059 +CONECT 4978 4926 +CONECT 4979 4926 +CONECT 4980 4926 +CONECT 4981 4927 +CONECT 4982 4927 +CONECT 4983 4927 +CONECT 4984 4928 +CONECT 4985 4928 +CONECT 4986 4928 +CONECT 4987 4930 +CONECT 4988 4930 +CONECT 4989 4931 +CONECT 4990 4931 +CONECT 4991 4937 +CONECT 4992 4937 +CONECT 4993 4938 +CONECT 4994 4942 +CONECT 4995 4942 +CONECT 4996 4943 +CONECT 4997 4943 +CONECT 4998 4944 +CONECT 4999 4944 +CONECT 5000 4945 +CONECT 5001 4945 +CONECT 5002 4946 +CONECT 5003 4946 +CONECT 5004 4947 +CONECT 5005 4947 +CONECT 5006 4948 +CONECT 5007 4948 +CONECT 5008 4949 +CONECT 5009 4950 +CONECT 5010 4951 +CONECT 5011 4951 +CONECT 5012 4952 +CONECT 5013 4952 +CONECT 5014 4953 +CONECT 5015 4953 +CONECT 5016 4954 +CONECT 5017 4954 +CONECT 5018 4955 +CONECT 5019 4955 +CONECT 5020 4956 +CONECT 5021 4956 +CONECT 5022 4957 +CONECT 5023 4957 +CONECT 5024 4961 +CONECT 5025 4961 +CONECT 5026 4962 +CONECT 5027 4962 +CONECT 5028 4963 +CONECT 5029 4963 +CONECT 5030 4964 +CONECT 5031 4964 +CONECT 5032 4965 +CONECT 5033 4965 +CONECT 5034 4966 +CONECT 5035 4966 +CONECT 5036 4967 +CONECT 5037 4967 +CONECT 5038 4968 +CONECT 5039 4968 +CONECT 5040 4969 +CONECT 5041 4969 +CONECT 5042 4970 +CONECT 5043 4970 +CONECT 5044 4971 +CONECT 5045 4971 +CONECT 5046 4972 +CONECT 5047 4972 +CONECT 5048 4973 +CONECT 5049 4973 +CONECT 5050 4974 +CONECT 5051 4974 +CONECT 5052 4975 +CONECT 5053 4975 +CONECT 5054 4975 +CONECT 5055 4976 +CONECT 5056 4976 +CONECT 5057 4977 +CONECT 5058 4977 +CONECT 5059 4977 +CONECT 5060 5063 5112 5113 5114 +CONECT 5061 5063 5115 5116 5117 +CONECT 5062 5063 5118 5119 5120 +CONECT 5063 5060 5061 5062 5064 +CONECT 5064 5063 5065 5121 5122 +CONECT 5065 5064 5066 5123 5124 +CONECT 5066 5065 5067 +CONECT 5067 5066 5068 5069 5070 +CONECT 5068 5067 +CONECT 5069 5067 +CONECT 5070 5067 5071 +CONECT 5071 5070 5072 5125 5126 +CONECT 5072 5071 5073 5091 5127 +CONECT 5073 5072 5074 +CONECT 5074 5073 5075 5076 +CONECT 5075 5074 +CONECT 5076 5074 5077 5128 5129 +CONECT 5077 5076 5078 5130 5131 +CONECT 5078 5077 5079 5132 5133 +CONECT 5079 5078 5080 5134 5135 +CONECT 5080 5079 5081 5136 5137 +CONECT 5081 5080 5082 5138 5139 +CONECT 5082 5081 5083 5140 5141 +CONECT 5083 5082 5084 5142 +CONECT 5084 5083 5085 5143 +CONECT 5085 5084 5086 5144 5145 +CONECT 5086 5085 5087 5146 5147 +CONECT 5087 5086 5088 5148 5149 +CONECT 5088 5087 5089 5150 5151 +CONECT 5089 5088 5090 5152 5153 +CONECT 5090 5089 5110 5154 5155 +CONECT 5091 5072 5092 5156 5157 +CONECT 5092 5091 5093 +CONECT 5093 5092 5094 5095 +CONECT 5094 5093 +CONECT 5095 5093 5096 5158 5159 +CONECT 5096 5095 5097 5160 5161 +CONECT 5097 5096 5098 5162 5163 +CONECT 5098 5097 5099 5164 5165 +CONECT 5099 5098 5100 5166 5167 +CONECT 5100 5099 5101 5168 5169 +CONECT 5101 5100 5102 5170 5171 +CONECT 5102 5101 5103 5172 5173 +CONECT 5103 5102 5104 5174 5175 +CONECT 5104 5103 5105 5176 5177 +CONECT 5105 5104 5106 5178 5179 +CONECT 5106 5105 5107 5180 5181 +CONECT 5107 5106 5108 5182 5183 +CONECT 5108 5107 5109 5184 5185 +CONECT 5109 5108 5186 5187 5188 +CONECT 5110 5090 5111 5189 5190 +CONECT 5111 5110 5191 5192 5193 +CONECT 5112 5060 +CONECT 5113 5060 +CONECT 5114 5060 +CONECT 5115 5061 +CONECT 5116 5061 +CONECT 5117 5061 +CONECT 5118 5062 +CONECT 5119 5062 +CONECT 5120 5062 +CONECT 5121 5064 +CONECT 5122 5064 +CONECT 5123 5065 +CONECT 5124 5065 +CONECT 5125 5071 +CONECT 5126 5071 +CONECT 5127 5072 +CONECT 5128 5076 +CONECT 5129 5076 +CONECT 5130 5077 +CONECT 5131 5077 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5187 5109 +CONECT 5188 5109 +CONECT 5189 5110 +CONECT 5190 5110 +CONECT 5191 5111 +CONECT 5192 5111 +CONECT 5193 5111 +CONECT 5194 5197 5246 5247 5248 +CONECT 5195 5197 5249 5250 5251 +CONECT 5196 5197 5252 5253 5254 +CONECT 5197 5194 5195 5196 5198 +CONECT 5198 5197 5199 5255 5256 +CONECT 5199 5198 5200 5257 5258 +CONECT 5200 5199 5201 +CONECT 5201 5200 5202 5203 5204 +CONECT 5202 5201 +CONECT 5203 5201 +CONECT 5204 5201 5205 +CONECT 5205 5204 5206 5259 5260 +CONECT 5206 5205 5207 5225 5261 +CONECT 5207 5206 5208 +CONECT 5208 5207 5209 5210 +CONECT 5209 5208 +CONECT 5210 5208 5211 5262 5263 +CONECT 5211 5210 5212 5264 5265 +CONECT 5212 5211 5213 5266 5267 +CONECT 5213 5212 5214 5268 5269 +CONECT 5214 5213 5215 5270 5271 +CONECT 5215 5214 5216 5272 5273 +CONECT 5216 5215 5217 5274 5275 +CONECT 5217 5216 5218 5276 +CONECT 5218 5217 5219 5277 +CONECT 5219 5218 5220 5278 5279 +CONECT 5220 5219 5221 5280 5281 +CONECT 5221 5220 5222 5282 5283 +CONECT 5222 5221 5223 5284 5285 +CONECT 5223 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5206 +CONECT 5262 5210 +CONECT 5263 5210 +CONECT 5264 5211 +CONECT 5265 5211 +CONECT 5266 5212 +CONECT 5267 5212 +CONECT 5268 5213 +CONECT 5269 5213 +CONECT 5270 5214 +CONECT 5271 5214 +CONECT 5272 5215 +CONECT 5273 5215 +CONECT 5274 5216 +CONECT 5275 5216 +CONECT 5276 5217 +CONECT 5277 5218 +CONECT 5278 5219 +CONECT 5279 5219 +CONECT 5280 5220 +CONECT 5281 5220 +CONECT 5282 5221 +CONECT 5283 5221 +CONECT 5284 5222 +CONECT 5285 5222 +CONECT 5286 5223 +CONECT 5287 5223 +CONECT 5288 5224 +CONECT 5289 5224 +CONECT 5290 5225 +CONECT 5291 5225 +CONECT 5292 5229 +CONECT 5293 5229 +CONECT 5294 5230 +CONECT 5295 5230 +CONECT 5296 5231 +CONECT 5297 5231 +CONECT 5298 5232 +CONECT 5299 5232 +CONECT 5300 5233 +CONECT 5301 5233 +CONECT 5302 5234 +CONECT 5303 5234 +CONECT 5304 5235 +CONECT 5305 5235 +CONECT 5306 5236 +CONECT 5307 5236 +CONECT 5308 5237 +CONECT 5309 5237 +CONECT 5310 5238 +CONECT 5311 5238 +CONECT 5312 5239 +CONECT 5313 5239 +CONECT 5314 5240 +CONECT 5315 5240 +CONECT 5316 5241 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5391 5333 +CONECT 5392 5333 +CONECT 5393 5339 +CONECT 5394 5339 +CONECT 5395 5340 +CONECT 5396 5344 +CONECT 5397 5344 +CONECT 5398 5345 +CONECT 5399 5345 +CONECT 5400 5346 +CONECT 5401 5346 +CONECT 5402 5347 +CONECT 5403 5347 +CONECT 5404 5348 +CONECT 5405 5348 +CONECT 5406 5349 +CONECT 5407 5349 +CONECT 5408 5350 +CONECT 5409 5350 +CONECT 5410 5351 +CONECT 5411 5352 +CONECT 5412 5353 +CONECT 5413 5353 +CONECT 5414 5354 +CONECT 5415 5354 +CONECT 5416 5355 +CONECT 5417 5355 +CONECT 5418 5356 +CONECT 5419 5356 +CONECT 5420 5357 +CONECT 5421 5357 +CONECT 5422 5358 +CONECT 5423 5358 +CONECT 5424 5359 +CONECT 5425 5359 +CONECT 5426 5363 +CONECT 5427 5363 +CONECT 5428 5364 +CONECT 5429 5364 +CONECT 5430 5365 +CONECT 5431 5365 +CONECT 5432 5366 +CONECT 5433 5366 +CONECT 5434 5367 +CONECT 5435 5367 +CONECT 5436 5368 +CONECT 5437 5368 +CONECT 5438 5369 +CONECT 5439 5369 +CONECT 5440 5370 +CONECT 5441 5370 +CONECT 5442 5371 +CONECT 5443 5371 +CONECT 5444 5372 +CONECT 5445 5372 +CONECT 5446 5373 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5545 +CONECT 5487 5486 5488 5546 5547 +CONECT 5488 5487 5489 5548 5549 +CONECT 5489 5488 5490 5550 5551 +CONECT 5490 5489 5491 5552 5553 +CONECT 5491 5490 5492 5554 5555 +CONECT 5492 5491 5512 5556 5557 +CONECT 5493 5474 5494 5558 5559 +CONECT 5494 5493 5495 +CONECT 5495 5494 5496 5497 +CONECT 5496 5495 +CONECT 5497 5495 5498 5560 5561 +CONECT 5498 5497 5499 5562 5563 +CONECT 5499 5498 5500 5564 5565 +CONECT 5500 5499 5501 5566 5567 +CONECT 5501 5500 5502 5568 5569 +CONECT 5502 5501 5503 5570 5571 +CONECT 5503 5502 5504 5572 5573 +CONECT 5504 5503 5505 5574 5575 +CONECT 5505 5504 5506 5576 5577 +CONECT 5506 5505 5507 5578 5579 +CONECT 5507 5506 5508 5580 5581 +CONECT 5508 5507 5509 5582 5583 +CONECT 5509 5508 5510 5584 5585 +CONECT 5510 5509 5511 5586 5587 +CONECT 5511 5510 5588 5589 5590 +CONECT 5512 5492 5513 5591 5592 +CONECT 5513 5512 5593 5594 5595 +CONECT 5514 5462 +CONECT 5515 5462 +CONECT 5516 5462 +CONECT 5517 5463 +CONECT 5518 5463 +CONECT 5519 5463 +CONECT 5520 5464 +CONECT 5521 5464 +CONECT 5522 5464 +CONECT 5523 5466 +CONECT 5524 5466 +CONECT 5525 5467 +CONECT 5526 5467 +CONECT 5527 5473 +CONECT 5528 5473 +CONECT 5529 5474 +CONECT 5530 5478 +CONECT 5531 5478 +CONECT 5532 5479 +CONECT 5533 5479 +CONECT 5534 5480 +CONECT 5535 5480 +CONECT 5536 5481 +CONECT 5537 5481 +CONECT 5538 5482 +CONECT 5539 5482 +CONECT 5540 5483 +CONECT 5541 5483 +CONECT 5542 5484 +CONECT 5543 5484 +CONECT 5544 5485 +CONECT 5545 5486 +CONECT 5546 5487 +CONECT 5547 5487 +CONECT 5548 5488 +CONECT 5549 5488 +CONECT 5550 5489 +CONECT 5551 5489 +CONECT 5552 5490 +CONECT 5553 5490 +CONECT 5554 5491 +CONECT 5555 5491 +CONECT 5556 5492 +CONECT 5557 5492 +CONECT 5558 5493 +CONECT 5559 5493 +CONECT 5560 5497 +CONECT 5561 5497 +CONECT 5562 5498 +CONECT 5563 5498 +CONECT 5564 5499 +CONECT 5565 5499 +CONECT 5566 5500 +CONECT 5567 5500 +CONECT 5568 5501 +CONECT 5569 5501 +CONECT 5570 5502 +CONECT 5571 5502 +CONECT 5572 5503 +CONECT 5573 5503 +CONECT 5574 5504 +CONECT 5575 5504 +CONECT 5576 5505 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5617 5619 5676 5677 +CONECT 5619 5618 5620 5678 +CONECT 5620 5619 5621 5679 +CONECT 5621 5620 5622 5680 5681 +CONECT 5622 5621 5623 5682 5683 +CONECT 5623 5622 5624 5684 5685 +CONECT 5624 5623 5625 5686 5687 +CONECT 5625 5624 5626 5688 5689 +CONECT 5626 5625 5646 5690 5691 +CONECT 5627 5608 5628 5692 5693 +CONECT 5628 5627 5629 +CONECT 5629 5628 5630 5631 +CONECT 5630 5629 +CONECT 5631 5629 5632 5694 5695 +CONECT 5632 5631 5633 5696 5697 +CONECT 5633 5632 5634 5698 5699 +CONECT 5634 5633 5635 5700 5701 +CONECT 5635 5634 5636 5702 5703 +CONECT 5636 5635 5637 5704 5705 +CONECT 5637 5636 5638 5706 5707 +CONECT 5638 5637 5639 5708 5709 +CONECT 5639 5638 5640 5710 5711 +CONECT 5640 5639 5641 5712 5713 +CONECT 5641 5640 5642 5714 5715 +CONECT 5642 5641 5643 5716 5717 +CONECT 5643 5642 5644 5718 5719 +CONECT 5644 5643 5645 5720 5721 +CONECT 5645 5644 5722 5723 5724 +CONECT 5646 5626 5647 5725 5726 +CONECT 5647 5646 5727 5728 5729 +CONECT 5648 5596 +CONECT 5649 5596 +CONECT 5650 5596 +CONECT 5651 5597 +CONECT 5652 5597 +CONECT 5653 5597 +CONECT 5654 5598 +CONECT 5655 5598 +CONECT 5656 5598 +CONECT 5657 5600 +CONECT 5658 5600 +CONECT 5659 5601 +CONECT 5660 5601 +CONECT 5661 5607 +CONECT 5662 5607 +CONECT 5663 5608 +CONECT 5664 5612 +CONECT 5665 5612 +CONECT 5666 5613 +CONECT 5667 5613 +CONECT 5668 5614 +CONECT 5669 5614 +CONECT 5670 5615 +CONECT 5671 5615 +CONECT 5672 5616 +CONECT 5673 5616 +CONECT 5674 5617 +CONECT 5675 5617 +CONECT 5676 5618 +CONECT 5677 5618 +CONECT 5678 5619 +CONECT 5679 5620 +CONECT 5680 5621 +CONECT 5681 5621 +CONECT 5682 5622 +CONECT 5683 5622 +CONECT 5684 5623 +CONECT 5685 5623 +CONECT 5686 5624 +CONECT 5687 5624 +CONECT 5688 5625 +CONECT 5689 5625 +CONECT 5690 5626 +CONECT 5691 5626 +CONECT 5692 5627 +CONECT 5693 5627 +CONECT 5694 5631 +CONECT 5695 5631 +CONECT 5696 5632 +CONECT 5697 5632 +CONECT 5698 5633 +CONECT 5699 5633 +CONECT 5700 5634 +CONECT 5701 5634 +CONECT 5702 5635 +CONECT 5703 5635 +CONECT 5704 5636 +CONECT 5705 5636 +CONECT 5706 5637 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5861 5862 5863 +CONECT 5782 5730 +CONECT 5783 5730 +CONECT 5784 5730 +CONECT 5785 5731 +CONECT 5786 5731 +CONECT 5787 5731 +CONECT 5788 5732 +CONECT 5789 5732 +CONECT 5790 5732 +CONECT 5791 5734 +CONECT 5792 5734 +CONECT 5793 5735 +CONECT 5794 5735 +CONECT 5795 5741 +CONECT 5796 5741 +CONECT 5797 5742 +CONECT 5798 5746 +CONECT 5799 5746 +CONECT 5800 5747 +CONECT 5801 5747 +CONECT 5802 5748 +CONECT 5803 5748 +CONECT 5804 5749 +CONECT 5805 5749 +CONECT 5806 5750 +CONECT 5807 5750 +CONECT 5808 5751 +CONECT 5809 5751 +CONECT 5810 5752 +CONECT 5811 5752 +CONECT 5812 5753 +CONECT 5813 5754 +CONECT 5814 5755 +CONECT 5815 5755 +CONECT 5816 5756 +CONECT 5817 5756 +CONECT 5818 5757 +CONECT 5819 5757 +CONECT 5820 5758 +CONECT 5821 5758 +CONECT 5822 5759 +CONECT 5823 5759 +CONECT 5824 5760 +CONECT 5825 5760 +CONECT 5826 5761 +CONECT 5827 5761 +CONECT 5828 5765 +CONECT 5829 5765 +CONECT 5830 5766 +CONECT 5831 5766 +CONECT 5832 5767 +CONECT 5833 5767 +CONECT 5834 5768 +CONECT 5835 5768 +CONECT 5836 5769 +CONECT 5837 5769 +CONECT 5838 5770 +CONECT 5839 5770 +CONECT 5840 5771 +CONECT 5841 5771 +CONECT 5842 5772 +CONECT 5843 5772 +CONECT 5844 5773 +CONECT 5845 5773 +CONECT 5846 5774 +CONECT 5847 5774 +CONECT 5848 5775 +CONECT 5849 5775 +CONECT 5850 5776 +CONECT 5851 5776 +CONECT 5852 5777 +CONECT 5853 5777 +CONECT 5854 5778 +CONECT 5855 5778 +CONECT 5856 5779 +CONECT 5857 5779 +CONECT 5858 5779 +CONECT 5859 5780 +CONECT 5860 5780 +CONECT 5861 5781 +CONECT 5862 5781 +CONECT 5863 5781 +CONECT 5864 5867 5916 5917 5918 +CONECT 5865 5867 5919 5920 5921 +CONECT 5866 5867 5922 5923 5924 +CONECT 5867 5864 5865 5866 5868 +CONECT 5868 5867 5869 5925 5926 +CONECT 5869 5868 5870 5927 5928 +CONECT 5870 5869 5871 +CONECT 5871 5870 5872 5873 5874 +CONECT 5872 5871 +CONECT 5873 5871 +CONECT 5874 5871 5875 +CONECT 5875 5874 5876 5929 5930 +CONECT 5876 5875 5877 5895 5931 +CONECT 5877 5876 5878 +CONECT 5878 5877 5879 5880 +CONECT 5879 5878 +CONECT 5880 5878 5881 5932 5933 +CONECT 5881 5880 5882 5934 5935 +CONECT 5882 5881 5883 5936 5937 +CONECT 5883 5882 5884 5938 5939 +CONECT 5884 5883 5885 5940 5941 +CONECT 5885 5884 5886 5942 5943 +CONECT 5886 5885 5887 5944 5945 +CONECT 5887 5886 5888 5946 +CONECT 5888 5887 5889 5947 +CONECT 5889 5888 5890 5948 5949 +CONECT 5890 5889 5891 5950 5951 +CONECT 5891 5890 5892 5952 5953 +CONECT 5892 5891 5893 5954 5955 +CONECT 5893 5892 5894 5956 5957 +CONECT 5894 5893 5914 5958 5959 +CONECT 5895 5876 5896 5960 5961 +CONECT 5896 5895 5897 +CONECT 5897 5896 5898 5899 +CONECT 5898 5897 +CONECT 5899 5897 5900 5962 5963 +CONECT 5900 5899 5901 5964 5965 +CONECT 5901 5900 5902 5966 5967 +CONECT 5902 5901 5903 5968 5969 +CONECT 5903 5902 5904 5970 5971 +CONECT 5904 5903 5905 5972 5973 +CONECT 5905 5904 5906 5974 5975 +CONECT 5906 5905 5907 5976 5977 +CONECT 5907 5906 5908 5978 5979 +CONECT 5908 5907 5909 5980 5981 +CONECT 5909 5908 5910 5982 5983 +CONECT 5910 5909 5911 5984 5985 +CONECT 5911 5910 5912 5986 5987 +CONECT 5912 5911 5913 5988 5989 +CONECT 5913 5912 5990 5991 5992 +CONECT 5914 5894 5915 5993 5994 +CONECT 5915 5914 5995 5996 5997 +CONECT 5916 5864 +CONECT 5917 5864 +CONECT 5918 5864 +CONECT 5919 5865 +CONECT 5920 5865 +CONECT 5921 5865 +CONECT 5922 5866 +CONECT 5923 5866 +CONECT 5924 5866 +CONECT 5925 5868 +CONECT 5926 5868 +CONECT 5927 5869 +CONECT 5928 5869 +CONECT 5929 5875 +CONECT 5930 5875 +CONECT 5931 5876 +CONECT 5932 5880 +CONECT 5933 5880 +CONECT 5934 5881 +CONECT 5935 5881 +CONECT 5936 5882 +CONECT 5937 5882 +CONECT 5938 5883 +CONECT 5939 5883 +CONECT 5940 5884 +CONECT 5941 5884 +CONECT 5942 5885 +CONECT 5943 5885 +CONECT 5944 5886 +CONECT 5945 5886 +CONECT 5946 5887 +CONECT 5947 5888 +CONECT 5948 5889 +CONECT 5949 5889 +CONECT 5950 5890 +CONECT 5951 5890 +CONECT 5952 5891 +CONECT 5953 5891 +CONECT 5954 5892 +CONECT 5955 5892 +CONECT 5956 5893 +CONECT 5957 5893 +CONECT 5958 5894 +CONECT 5959 5894 +CONECT 5960 5895 +CONECT 5961 5895 +CONECT 5962 5899 +CONECT 5963 5899 +CONECT 5964 5900 +CONECT 5965 5900 +CONECT 5966 5901 +CONECT 5967 5901 +CONECT 5968 5902 +CONECT 5969 5902 +CONECT 5970 5903 +CONECT 5971 5903 +CONECT 5972 5904 +CONECT 5973 5904 +CONECT 5974 5905 +CONECT 5975 5905 +CONECT 5976 5906 +CONECT 5977 5906 +CONECT 5978 5907 +CONECT 5979 5907 +CONECT 5980 5908 +CONECT 5981 5908 +CONECT 5982 5909 +CONECT 5983 5909 +CONECT 5984 5910 +CONECT 5985 5910 +CONECT 5986 5911 +CONECT 5987 5911 +CONECT 5988 5912 +CONECT 5989 5912 +CONECT 5990 5913 +CONECT 5991 5913 +CONECT 5992 5913 +CONECT 5993 5914 +CONECT 5994 5914 +CONECT 5995 5915 +CONECT 5996 5915 +CONECT 5997 5915 +CONECT 5998 6001 6050 6051 6052 +CONECT 5999 6001 6053 6054 6055 +CONECT 6000 6001 6056 6057 6058 +CONECT 6001 5998 5999 6000 6002 +CONECT 6002 6001 6003 6059 6060 +CONECT 6003 6002 6004 6061 6062 +CONECT 6004 6003 6005 +CONECT 6005 6004 6006 6007 6008 +CONECT 6006 6005 +CONECT 6007 6005 +CONECT 6008 6005 6009 +CONECT 6009 6008 6010 6063 6064 +CONECT 6010 6009 6011 6029 6065 +CONECT 6011 6010 6012 +CONECT 6012 6011 6013 6014 +CONECT 6013 6012 +CONECT 6014 6012 6015 6066 6067 +CONECT 6015 6014 6016 6068 6069 +CONECT 6016 6015 6017 6070 6071 +CONECT 6017 6016 6018 6072 6073 +CONECT 6018 6017 6019 6074 6075 +CONECT 6019 6018 6020 6076 6077 +CONECT 6020 6019 6021 6078 6079 +CONECT 6021 6020 6022 6080 +CONECT 6022 6021 6023 6081 +CONECT 6023 6022 6024 6082 6083 +CONECT 6024 6023 6025 6084 6085 +CONECT 6025 6024 6026 6086 6087 +CONECT 6026 6025 6027 6088 6089 +CONECT 6027 6026 6028 6090 6091 +CONECT 6028 6027 6048 6092 6093 +CONECT 6029 6010 6030 6094 6095 +CONECT 6030 6029 6031 +CONECT 6031 6030 6032 6033 +CONECT 6032 6031 +CONECT 6033 6031 6034 6096 6097 +CONECT 6034 6033 6035 6098 6099 +CONECT 6035 6034 6036 6100 6101 +CONECT 6036 6035 6037 6102 6103 +CONECT 6037 6036 6038 6104 6105 +CONECT 6038 6037 6039 6106 6107 +CONECT 6039 6038 6040 6108 6109 +CONECT 6040 6039 6041 6110 6111 +CONECT 6041 6040 6042 6112 6113 +CONECT 6042 6041 6043 6114 6115 +CONECT 6043 6042 6044 6116 6117 +CONECT 6044 6043 6045 6118 6119 +CONECT 6045 6044 6046 6120 6121 +CONECT 6046 6045 6047 6122 6123 +CONECT 6047 6046 6124 6125 6126 +CONECT 6048 6028 6049 6127 6128 +CONECT 6049 6048 6129 6130 6131 +CONECT 6050 5998 +CONECT 6051 5998 +CONECT 6052 5998 +CONECT 6053 5999 +CONECT 6054 5999 +CONECT 6055 5999 +CONECT 6056 6000 +CONECT 6057 6000 +CONECT 6058 6000 +CONECT 6059 6002 +CONECT 6060 6002 +CONECT 6061 6003 +CONECT 6062 6003 +CONECT 6063 6009 +CONECT 6064 6009 +CONECT 6065 6010 +CONECT 6066 6014 +CONECT 6067 6014 +CONECT 6068 6015 +CONECT 6069 6015 +CONECT 6070 6016 +CONECT 6071 6016 +CONECT 6072 6017 +CONECT 6073 6017 +CONECT 6074 6018 +CONECT 6075 6018 +CONECT 6076 6019 +CONECT 6077 6019 +CONECT 6078 6020 +CONECT 6079 6020 +CONECT 6080 6021 +CONECT 6081 6022 +CONECT 6082 6023 +CONECT 6083 6023 +CONECT 6084 6024 +CONECT 6085 6024 +CONECT 6086 6025 +CONECT 6087 6025 +CONECT 6088 6026 +CONECT 6089 6026 +CONECT 6090 6027 +CONECT 6091 6027 +CONECT 6092 6028 +CONECT 6093 6028 +CONECT 6094 6029 +CONECT 6095 6029 +CONECT 6096 6033 +CONECT 6097 6033 +CONECT 6098 6034 +CONECT 6099 6034 +CONECT 6100 6035 +CONECT 6101 6035 +CONECT 6102 6036 +CONECT 6103 6036 +CONECT 6104 6037 +CONECT 6105 6037 +CONECT 6106 6038 +CONECT 6107 6038 +CONECT 6108 6039 +CONECT 6109 6039 +CONECT 6110 6040 +CONECT 6111 6040 +CONECT 6112 6041 +CONECT 6113 6041 +CONECT 6114 6042 +CONECT 6115 6042 +CONECT 6116 6043 +CONECT 6117 6043 +CONECT 6118 6044 +CONECT 6119 6044 +CONECT 6120 6045 +CONECT 6121 6045 +CONECT 6122 6046 +CONECT 6123 6046 +CONECT 6124 6047 +CONECT 6125 6047 +CONECT 6126 6047 +CONECT 6127 6048 +CONECT 6128 6048 +CONECT 6129 6049 +CONECT 6130 6049 +CONECT 6131 6049 +CONECT 6132 6135 6184 6185 6186 +CONECT 6133 6135 6187 6188 6189 +CONECT 6134 6135 6190 6191 6192 +CONECT 6135 6132 6133 6134 6136 +CONECT 6136 6135 6137 6193 6194 +CONECT 6137 6136 6138 6195 6196 +CONECT 6138 6137 6139 +CONECT 6139 6138 6140 6141 6142 +CONECT 6140 6139 +CONECT 6141 6139 +CONECT 6142 6139 6143 +CONECT 6143 6142 6144 6197 6198 +CONECT 6144 6143 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6162 +CONECT 6227 6162 +CONECT 6228 6163 +CONECT 6229 6163 +CONECT 6230 6167 +CONECT 6231 6167 +CONECT 6232 6168 +CONECT 6233 6168 +CONECT 6234 6169 +CONECT 6235 6169 +CONECT 6236 6170 +CONECT 6237 6170 +CONECT 6238 6171 +CONECT 6239 6171 +CONECT 6240 6172 +CONECT 6241 6172 +CONECT 6242 6173 +CONECT 6243 6173 +CONECT 6244 6174 +CONECT 6245 6174 +CONECT 6246 6175 +CONECT 6247 6175 +CONECT 6248 6176 +CONECT 6249 6176 +CONECT 6250 6177 +CONECT 6251 6177 +CONECT 6252 6178 +CONECT 6253 6178 +CONECT 6254 6179 +CONECT 6255 6179 +CONECT 6256 6180 +CONECT 6257 6180 +CONECT 6258 6181 +CONECT 6259 6181 +CONECT 6260 6181 +CONECT 6261 6182 +CONECT 6262 6182 +CONECT 6263 6183 +CONECT 6264 6183 +CONECT 6265 6183 +CONECT 6266 6269 6318 6319 6320 +CONECT 6267 6269 6321 6322 6323 +CONECT 6268 6269 6324 6325 6326 +CONECT 6269 6266 6267 6268 6270 +CONECT 6270 6269 6271 6327 6328 +CONECT 6271 6270 6272 6329 6330 +CONECT 6272 6271 6273 +CONECT 6273 6272 6274 6275 6276 +CONECT 6274 6273 +CONECT 6275 6273 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6439 6441 6508 6509 +CONECT 6441 6440 6442 6510 6511 +CONECT 6442 6441 6443 6512 6513 +CONECT 6443 6442 6444 6514 6515 +CONECT 6444 6443 6445 6516 6517 +CONECT 6445 6444 6446 6518 6519 +CONECT 6446 6445 6447 6520 6521 +CONECT 6447 6446 6448 6522 6523 +CONECT 6448 6447 6449 6524 6525 +CONECT 6449 6448 6526 6527 6528 +CONECT 6450 6430 6451 6529 6530 +CONECT 6451 6450 6531 6532 6533 +CONECT 6452 6400 +CONECT 6453 6400 +CONECT 6454 6400 +CONECT 6455 6401 +CONECT 6456 6401 +CONECT 6457 6401 +CONECT 6458 6402 +CONECT 6459 6402 +CONECT 6460 6402 +CONECT 6461 6404 +CONECT 6462 6404 +CONECT 6463 6405 +CONECT 6464 6405 +CONECT 6465 6411 +CONECT 6466 6411 +CONECT 6467 6412 +CONECT 6468 6416 +CONECT 6469 6416 +CONECT 6470 6417 +CONECT 6471 6417 +CONECT 6472 6418 +CONECT 6473 6418 +CONECT 6474 6419 +CONECT 6475 6419 +CONECT 6476 6420 +CONECT 6477 6420 +CONECT 6478 6421 +CONECT 6479 6421 +CONECT 6480 6422 +CONECT 6481 6422 +CONECT 6482 6423 +CONECT 6483 6424 +CONECT 6484 6425 +CONECT 6485 6425 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6637 +CONECT 6572 6571 6573 6638 6639 +CONECT 6573 6572 6574 6640 6641 +CONECT 6574 6573 6575 6642 6643 +CONECT 6575 6574 6576 6644 6645 +CONECT 6576 6575 6577 6646 6647 +CONECT 6577 6576 6578 6648 6649 +CONECT 6578 6577 6579 6650 6651 +CONECT 6579 6578 6580 6652 6653 +CONECT 6580 6579 6581 6654 6655 +CONECT 6581 6580 6582 6656 6657 +CONECT 6582 6581 6583 6658 6659 +CONECT 6583 6582 6660 6661 6662 +CONECT 6584 6564 6585 6663 6664 +CONECT 6585 6584 6665 6666 6667 +CONECT 6586 6534 +CONECT 6587 6534 +CONECT 6588 6534 +CONECT 6589 6535 +CONECT 6590 6535 +CONECT 6591 6535 +CONECT 6592 6536 +CONECT 6593 6536 +CONECT 6594 6536 +CONECT 6595 6538 +CONECT 6596 6538 +CONECT 6597 6539 +CONECT 6598 6539 +CONECT 6599 6545 +CONECT 6600 6545 +CONECT 6601 6546 +CONECT 6602 6550 +CONECT 6603 6550 +CONECT 6604 6551 +CONECT 6605 6551 +CONECT 6606 6552 +CONECT 6607 6552 +CONECT 6608 6553 +CONECT 6609 6553 +CONECT 6610 6554 +CONECT 6611 6554 +CONECT 6612 6555 +CONECT 6613 6555 +CONECT 6614 6556 +CONECT 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8181 8183 8250 8251 +CONECT 8183 8182 8184 8252 8253 +CONECT 8184 8183 8185 8254 8255 +CONECT 8185 8184 8186 8256 8257 +CONECT 8186 8185 8187 8258 8259 +CONECT 8187 8186 8188 8260 8261 +CONECT 8188 8187 8189 8262 8263 +CONECT 8189 8188 8190 8264 8265 +CONECT 8190 8189 8191 8266 8267 +CONECT 8191 8190 8268 8269 8270 +CONECT 8192 8172 8193 8271 8272 +CONECT 8193 8192 8273 8274 8275 +CONECT 8194 8142 +CONECT 8195 8142 +CONECT 8196 8142 +CONECT 8197 8143 +CONECT 8198 8143 +CONECT 8199 8143 +CONECT 8200 8144 +CONECT 8201 8144 +CONECT 8202 8144 +CONECT 8203 8146 +CONECT 8204 8146 +CONECT 8205 8147 +CONECT 8206 8147 +CONECT 8207 8153 +CONECT 8208 8153 +CONECT 8209 8154 +CONECT 8210 8158 +CONECT 8211 8158 +CONECT 8212 8159 +CONECT 8213 8159 +CONECT 8214 8160 +CONECT 8215 8160 +CONECT 8216 8161 +CONECT 8217 8161 +CONECT 8218 8162 +CONECT 8219 8162 +CONECT 8220 8163 +CONECT 8221 8163 +CONECT 8222 8164 +CONECT 8223 8164 +CONECT 8224 8165 +CONECT 8225 8166 +CONECT 8226 8167 +CONECT 8227 8167 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+CONECT 8280 8279 8281 8337 8338 +CONECT 8281 8280 8282 8339 8340 +CONECT 8282 8281 8283 +CONECT 8283 8282 8284 8285 8286 +CONECT 8284 8283 +CONECT 8285 8283 +CONECT 8286 8283 8287 +CONECT 8287 8286 8288 8341 8342 +CONECT 8288 8287 8289 8307 8343 +CONECT 8289 8288 8290 +CONECT 8290 8289 8291 8292 +CONECT 8291 8290 +CONECT 8292 8290 8293 8344 8345 +CONECT 8293 8292 8294 8346 8347 +CONECT 8294 8293 8295 8348 8349 +CONECT 8295 8294 8296 8350 8351 +CONECT 8296 8295 8297 8352 8353 +CONECT 8297 8296 8298 8354 8355 +CONECT 8298 8297 8299 8356 8357 +CONECT 8299 8298 8300 8358 +CONECT 8300 8299 8301 8359 +CONECT 8301 8300 8302 8360 8361 +CONECT 8302 8301 8303 8362 8363 +CONECT 8303 8302 8304 8364 8365 +CONECT 8304 8303 8305 8366 8367 +CONECT 8305 8304 8306 8368 8369 +CONECT 8306 8305 8326 8370 8371 +CONECT 8307 8288 8308 8372 8373 +CONECT 8308 8307 8309 +CONECT 8309 8308 8310 8311 +CONECT 8310 8309 +CONECT 8311 8309 8312 8374 8375 +CONECT 8312 8311 8313 8376 8377 +CONECT 8313 8312 8314 8378 8379 +CONECT 8314 8313 8315 8380 8381 +CONECT 8315 8314 8316 8382 8383 +CONECT 8316 8315 8317 8384 8385 +CONECT 8317 8316 8318 8386 8387 +CONECT 8318 8317 8319 8388 8389 +CONECT 8319 8318 8320 8390 8391 +CONECT 8320 8319 8321 8392 8393 +CONECT 8321 8320 8322 8394 8395 +CONECT 8322 8321 8323 8396 8397 +CONECT 8323 8322 8324 8398 8399 +CONECT 8324 8323 8325 8400 8401 +CONECT 8325 8324 8402 8403 8404 +CONECT 8326 8306 8327 8405 8406 +CONECT 8327 8326 8407 8408 8409 +CONECT 8328 8276 +CONECT 8329 8276 +CONECT 8330 8276 +CONECT 8331 8277 +CONECT 8332 8277 +CONECT 8333 8277 +CONECT 8334 8278 +CONECT 8335 8278 +CONECT 8336 8278 +CONECT 8337 8280 +CONECT 8338 8280 +CONECT 8339 8281 +CONECT 8340 8281 +CONECT 8341 8287 +CONECT 8342 8287 +CONECT 8343 8288 +CONECT 8344 8292 +CONECT 8345 8292 +CONECT 8346 8293 +CONECT 8347 8293 +CONECT 8348 8294 +CONECT 8349 8294 +CONECT 8350 8295 +CONECT 8351 8295 +CONECT 8352 8296 +CONECT 8353 8296 +CONECT 8354 8297 +CONECT 8355 8297 +CONECT 8356 8298 +CONECT 8357 8298 +CONECT 8358 8299 +CONECT 8359 8300 +CONECT 8360 8301 +CONECT 8361 8301 +CONECT 8362 8302 +CONECT 8363 8302 +CONECT 8364 8303 +CONECT 8365 8303 +CONECT 8366 8304 +CONECT 8367 8304 +CONECT 8368 8305 +CONECT 8369 8305 +CONECT 8370 8306 +CONECT 8371 8306 +CONECT 8372 8307 +CONECT 8373 8307 +CONECT 8374 8311 +CONECT 8375 8311 +CONECT 8376 8312 +CONECT 8377 8312 +CONECT 8378 8313 +CONECT 8379 8313 +CONECT 8380 8314 +CONECT 8381 8314 +CONECT 8382 8315 +CONECT 8383 8315 +CONECT 8384 8316 +CONECT 8385 8316 +CONECT 8386 8317 +CONECT 8387 8317 +CONECT 8388 8318 +CONECT 8389 8318 +CONECT 8390 8319 +CONECT 8391 8319 +CONECT 8392 8320 +CONECT 8393 8320 +CONECT 8394 8321 +CONECT 8395 8321 +CONECT 8396 8322 +CONECT 8397 8322 +CONECT 8398 8323 +CONECT 8399 8323 +CONECT 8400 8324 +CONECT 8401 8324 +CONECT 8402 8325 +CONECT 8403 8325 +CONECT 8404 8325 +CONECT 8405 8326 +CONECT 8406 8326 +CONECT 8407 8327 +CONECT 8408 8327 +CONECT 8409 8327 +CONECT 8410 8413 8462 8463 8464 +CONECT 8411 8413 8465 8466 8467 +CONECT 8412 8413 8468 8469 8470 +CONECT 8413 8410 8411 8412 8414 +CONECT 8414 8413 8415 8471 8472 +CONECT 8415 8414 8416 8473 8474 +CONECT 8416 8415 8417 +CONECT 8417 8416 8418 8419 8420 +CONECT 8418 8417 +CONECT 8419 8417 +CONECT 8420 8417 8421 +CONECT 8421 8420 8422 8475 8476 +CONECT 8422 8421 8423 8441 8477 +CONECT 8423 8422 8424 +CONECT 8424 8423 8425 8426 +CONECT 8425 8424 +CONECT 8426 8424 8427 8478 8479 +CONECT 8427 8426 8428 8480 8481 +CONECT 8428 8427 8429 8482 8483 +CONECT 8429 8428 8430 8484 8485 +CONECT 8430 8429 8431 8486 8487 +CONECT 8431 8430 8432 8488 8489 +CONECT 8432 8431 8433 8490 8491 +CONECT 8433 8432 8434 8492 +CONECT 8434 8433 8435 8493 +CONECT 8435 8434 8436 8494 8495 +CONECT 8436 8435 8437 8496 8497 +CONECT 8437 8436 8438 8498 8499 +CONECT 8438 8437 8439 8500 8501 +CONECT 8439 8438 8440 8502 8503 +CONECT 8440 8439 8460 8504 8505 +CONECT 8441 8422 8442 8506 8507 +CONECT 8442 8441 8443 +CONECT 8443 8442 8444 8445 +CONECT 8444 8443 +CONECT 8445 8443 8446 8508 8509 +CONECT 8446 8445 8447 8510 8511 +CONECT 8447 8446 8448 8512 8513 +CONECT 8448 8447 8449 8514 8515 +CONECT 8449 8448 8450 8516 8517 +CONECT 8450 8449 8451 8518 8519 +CONECT 8451 8450 8452 8520 8521 +CONECT 8452 8451 8453 8522 8523 +CONECT 8453 8452 8454 8524 8525 +CONECT 8454 8453 8455 8526 8527 +CONECT 8455 8454 8456 8528 8529 +CONECT 8456 8455 8457 8530 8531 +CONECT 8457 8456 8458 8532 8533 +CONECT 8458 8457 8459 8534 8535 +CONECT 8459 8458 8536 8537 8538 +CONECT 8460 8440 8461 8539 8540 +CONECT 8461 8460 8541 8542 8543 +CONECT 8462 8410 +CONECT 8463 8410 +CONECT 8464 8410 +CONECT 8465 8411 +CONECT 8466 8411 +CONECT 8467 8411 +CONECT 8468 8412 +CONECT 8469 8412 +CONECT 8470 8412 +CONECT 8471 8414 +CONECT 8472 8414 +CONECT 8473 8415 +CONECT 8474 8415 +CONECT 8475 8421 +CONECT 8476 8421 +CONECT 8477 8422 +CONECT 8478 8426 +CONECT 8479 8426 +CONECT 8480 8427 +CONECT 8481 8427 +CONECT 8482 8428 +CONECT 8483 8428 +CONECT 8484 8429 +CONECT 8485 8429 +CONECT 8486 8430 +CONECT 8487 8430 +CONECT 8488 8431 +CONECT 8489 8431 +CONECT 8490 8432 +CONECT 8491 8432 +CONECT 8492 8433 +CONECT 8493 8434 +CONECT 8494 8435 +CONECT 8495 8435 +CONECT 8496 8436 +CONECT 8497 8436 +CONECT 8498 8437 +CONECT 8499 8437 +CONECT 8500 8438 +CONECT 8501 8438 +CONECT 8502 8439 +CONECT 8503 8439 +CONECT 8504 8440 +CONECT 8505 8440 +CONECT 8506 8441 +CONECT 8507 8441 +CONECT 8508 8445 +CONECT 8509 8445 +CONECT 8510 8446 +CONECT 8511 8446 +CONECT 8512 8447 +CONECT 8513 8447 +CONECT 8514 8448 +CONECT 8515 8448 +CONECT 8516 8449 +CONECT 8517 8449 +CONECT 8518 8450 +CONECT 8519 8450 +CONECT 8520 8451 +CONECT 8521 8451 +CONECT 8522 8452 +CONECT 8523 8452 +CONECT 8524 8453 +CONECT 8525 8453 +CONECT 8526 8454 +CONECT 8527 8454 +CONECT 8528 8455 +CONECT 8529 8455 +CONECT 8530 8456 +CONECT 8531 8456 +CONECT 8532 8457 +CONECT 8533 8457 +CONECT 8534 8458 +CONECT 8535 8458 +CONECT 8536 8459 +CONECT 8537 8459 +CONECT 8538 8459 +CONECT 8539 8460 +CONECT 8540 8460 +CONECT 8541 8461 +CONECT 8542 8461 +CONECT 8543 8461 +CONECT 8544 8547 8596 8597 8598 +CONECT 8545 8547 8599 8600 8601 +CONECT 8546 8547 8602 8603 8604 +CONECT 8547 8544 8545 8546 8548 +CONECT 8548 8547 8549 8605 8606 +CONECT 8549 8548 8550 8607 8608 +CONECT 8550 8549 8551 +CONECT 8551 8550 8552 8553 8554 +CONECT 8552 8551 +CONECT 8553 8551 +CONECT 8554 8551 8555 +CONECT 8555 8554 8556 8609 8610 +CONECT 8556 8555 8557 8575 8611 +CONECT 8557 8556 8558 +CONECT 8558 8557 8559 8560 +CONECT 8559 8558 +CONECT 8560 8558 8561 8612 8613 +CONECT 8561 8560 8562 8614 8615 +CONECT 8562 8561 8563 8616 8617 +CONECT 8563 8562 8564 8618 8619 +CONECT 8564 8563 8565 8620 8621 +CONECT 8565 8564 8566 8622 8623 +CONECT 8566 8565 8567 8624 8625 +CONECT 8567 8566 8568 8626 +CONECT 8568 8567 8569 8627 +CONECT 8569 8568 8570 8628 8629 +CONECT 8570 8569 8571 8630 8631 +CONECT 8571 8570 8572 8632 8633 +CONECT 8572 8571 8573 8634 8635 +CONECT 8573 8572 8574 8636 8637 +CONECT 8574 8573 8594 8638 8639 +CONECT 8575 8556 8576 8640 8641 +CONECT 8576 8575 8577 +CONECT 8577 8576 8578 8579 +CONECT 8578 8577 +CONECT 8579 8577 8580 8642 8643 +CONECT 8580 8579 8581 8644 8645 +CONECT 8581 8580 8582 8646 8647 +CONECT 8582 8581 8583 8648 8649 +CONECT 8583 8582 8584 8650 8651 +CONECT 8584 8583 8585 8652 8653 +CONECT 8585 8584 8586 8654 8655 +CONECT 8586 8585 8587 8656 8657 +CONECT 8587 8586 8588 8658 8659 +CONECT 8588 8587 8589 8660 8661 +CONECT 8589 8588 8590 8662 8663 +CONECT 8590 8589 8591 8664 8665 +CONECT 8591 8590 8592 8666 8667 +CONECT 8592 8591 8593 8668 8669 +CONECT 8593 8592 8670 8671 8672 +CONECT 8594 8574 8595 8673 8674 +CONECT 8595 8594 8675 8676 8677 +CONECT 8596 8544 +CONECT 8597 8544 +CONECT 8598 8544 +CONECT 8599 8545 +CONECT 8600 8545 +CONECT 8601 8545 +CONECT 8602 8546 +CONECT 8603 8546 +CONECT 8604 8546 +CONECT 8605 8548 +CONECT 8606 8548 +CONECT 8607 8549 +CONECT 8608 8549 +CONECT 8609 8555 +CONECT 8610 8555 +CONECT 8611 8556 +CONECT 8612 8560 +CONECT 8613 8560 +CONECT 8614 8561 +CONECT 8615 8561 +CONECT 8616 8562 +CONECT 8617 8562 +CONECT 8618 8563 +CONECT 8619 8563 +CONECT 8620 8564 +CONECT 8621 8564 +CONECT 8622 8565 +CONECT 8623 8565 +CONECT 8624 8566 +CONECT 8625 8566 +CONECT 8626 8567 +CONECT 8627 8568 +CONECT 8628 8569 +CONECT 8629 8569 +CONECT 8630 8570 +CONECT 8631 8570 +CONECT 8632 8571 +CONECT 8633 8571 +CONECT 8634 8572 +CONECT 8635 8572 +CONECT 8636 8573 +CONECT 8637 8573 +CONECT 8638 8574 +CONECT 8639 8574 +CONECT 8640 8575 +CONECT 8641 8575 +CONECT 8642 8579 +CONECT 8643 8579 +CONECT 8644 8580 +CONECT 8645 8580 +CONECT 8646 8581 +CONECT 8647 8581 +CONECT 8648 8582 +CONECT 8649 8582 +CONECT 8650 8583 +CONECT 8651 8583 +CONECT 8652 8584 +CONECT 8653 8584 +CONECT 8654 8585 +CONECT 8655 8585 +CONECT 8656 8586 +CONECT 8657 8586 +CONECT 8658 8587 +CONECT 8659 8587 +CONECT 8660 8588 +CONECT 8661 8588 +CONECT 8662 8589 +CONECT 8663 8589 +CONECT 8664 8590 +CONECT 8665 8590 +CONECT 8666 8591 +CONECT 8667 8591 +CONECT 8668 8592 +CONECT 8669 8592 +CONECT 8670 8593 +CONECT 8671 8593 +CONECT 8672 8593 +CONECT 8673 8594 +CONECT 8674 8594 +CONECT 8675 8595 +CONECT 8676 8595 +CONECT 8677 8595 +CONECT 8678 8681 8730 8731 8732 +CONECT 8679 8681 8733 8734 8735 +CONECT 8680 8681 8736 8737 8738 +CONECT 8681 8678 8679 8680 8682 +CONECT 8682 8681 8683 8739 8740 +CONECT 8683 8682 8684 8741 8742 +CONECT 8684 8683 8685 +CONECT 8685 8684 8686 8687 8688 +CONECT 8686 8685 +CONECT 8687 8685 +CONECT 8688 8685 8689 +CONECT 8689 8688 8690 8743 8744 +CONECT 8690 8689 8691 8709 8745 +CONECT 8691 8690 8692 +CONECT 8692 8691 8693 8694 +CONECT 8693 8692 +CONECT 8694 8692 8695 8746 8747 +CONECT 8695 8694 8696 8748 8749 +CONECT 8696 8695 8697 8750 8751 +CONECT 8697 8696 8698 8752 8753 +CONECT 8698 8697 8699 8754 8755 +CONECT 8699 8698 8700 8756 8757 +CONECT 8700 8699 8701 8758 8759 +CONECT 8701 8700 8702 8760 +CONECT 8702 8701 8703 8761 +CONECT 8703 8702 8704 8762 8763 +CONECT 8704 8703 8705 8764 8765 +CONECT 8705 8704 8706 8766 8767 +CONECT 8706 8705 8707 8768 8769 +CONECT 8707 8706 8708 8770 8771 +CONECT 8708 8707 8728 8772 8773 +CONECT 8709 8690 8710 8774 8775 +CONECT 8710 8709 8711 +CONECT 8711 8710 8712 8713 +CONECT 8712 8711 +CONECT 8713 8711 8714 8776 8777 +CONECT 8714 8713 8715 8778 8779 +CONECT 8715 8714 8716 8780 8781 +CONECT 8716 8715 8717 8782 8783 +CONECT 8717 8716 8718 8784 8785 +CONECT 8718 8717 8719 8786 8787 +CONECT 8719 8718 8720 8788 8789 +CONECT 8720 8719 8721 8790 8791 +CONECT 8721 8720 8722 8792 8793 +CONECT 8722 8721 8723 8794 8795 +CONECT 8723 8722 8724 8796 8797 +CONECT 8724 8723 8725 8798 8799 +CONECT 8725 8724 8726 8800 8801 +CONECT 8726 8725 8727 8802 8803 +CONECT 8727 8726 8804 8805 8806 +CONECT 8728 8708 8729 8807 8808 +CONECT 8729 8728 8809 8810 8811 +CONECT 8730 8678 +CONECT 8731 8678 +CONECT 8732 8678 +CONECT 8733 8679 +CONECT 8734 8679 +CONECT 8735 8679 +CONECT 8736 8680 +CONECT 8737 8680 +CONECT 8738 8680 +CONECT 8739 8682 +CONECT 8740 8682 +CONECT 8741 8683 +CONECT 8742 8683 +CONECT 8743 8689 +CONECT 8744 8689 +CONECT 8745 8690 +CONECT 8746 8694 +CONECT 8747 8694 +CONECT 8748 8695 +CONECT 8749 8695 +CONECT 8750 8696 +CONECT 8751 8696 +CONECT 8752 8697 +CONECT 8753 8697 +CONECT 8754 8698 +CONECT 8755 8698 +CONECT 8756 8699 +CONECT 8757 8699 +CONECT 8758 8700 +CONECT 8759 8700 +CONECT 8760 8701 +CONECT 8761 8702 +CONECT 8762 8703 +CONECT 8763 8703 +CONECT 8764 8704 +CONECT 8765 8704 +CONECT 8766 8705 +CONECT 8767 8705 +CONECT 8768 8706 +CONECT 8769 8706 +CONECT 8770 8707 +CONECT 8771 8707 +CONECT 8772 8708 +CONECT 8773 8708 +CONECT 8774 8709 +CONECT 8775 8709 +CONECT 8776 8713 +CONECT 8777 8713 +CONECT 8778 8714 +CONECT 8779 8714 +CONECT 8780 8715 +CONECT 8781 8715 +CONECT 8782 8716 +CONECT 8783 8716 +CONECT 8784 8717 +CONECT 8785 8717 +CONECT 8786 8718 +CONECT 8787 8718 +CONECT 8788 8719 +CONECT 8789 8719 +CONECT 8790 8720 +CONECT 8791 8720 +CONECT 8792 8721 +CONECT 8793 8721 +CONECT 8794 8722 +CONECT 8795 8722 +CONECT 8796 8723 +CONECT 8797 8723 +CONECT 8798 8724 +CONECT 8799 8724 +CONECT 8800 8725 +CONECT 8801 8725 +CONECT 8802 8726 +CONECT 8803 8726 +CONECT 8804 8727 +CONECT 8805 8727 +CONECT 8806 8727 +CONECT 8807 8728 +CONECT 8808 8728 +CONECT 8809 8729 +CONECT 8810 8729 +CONECT 8811 8729 +CONECT 8812 8815 8864 8865 8866 +CONECT 8813 8815 8867 8868 8869 +CONECT 8814 8815 8870 8871 8872 +CONECT 8815 8812 8813 8814 8816 +CONECT 8816 8815 8817 8873 8874 +CONECT 8817 8816 8818 8875 8876 +CONECT 8818 8817 8819 +CONECT 8819 8818 8820 8821 8822 +CONECT 8820 8819 +CONECT 8821 8819 +CONECT 8822 8819 8823 +CONECT 8823 8822 8824 8877 8878 +CONECT 8824 8823 8825 8843 8879 +CONECT 8825 8824 8826 +CONECT 8826 8825 8827 8828 +CONECT 8827 8826 +CONECT 8828 8826 8829 8880 8881 +CONECT 8829 8828 8830 8882 8883 +CONECT 8830 8829 8831 8884 8885 +CONECT 8831 8830 8832 8886 8887 +CONECT 8832 8831 8833 8888 8889 +CONECT 8833 8832 8834 8890 8891 +CONECT 8834 8833 8835 8892 8893 +CONECT 8835 8834 8836 8894 +CONECT 8836 8835 8837 8895 +CONECT 8837 8836 8838 8896 8897 +CONECT 8838 8837 8839 8898 8899 +CONECT 8839 8838 8840 8900 8901 +CONECT 8840 8839 8841 8902 8903 +CONECT 8841 8840 8842 8904 8905 +CONECT 8842 8841 8862 8906 8907 +CONECT 8843 8824 8844 8908 8909 +CONECT 8844 8843 8845 +CONECT 8845 8844 8846 8847 +CONECT 8846 8845 +CONECT 8847 8845 8848 8910 8911 +CONECT 8848 8847 8849 8912 8913 +CONECT 8849 8848 8850 8914 8915 +CONECT 8850 8849 8851 8916 8917 +CONECT 8851 8850 8852 8918 8919 +CONECT 8852 8851 8853 8920 8921 +CONECT 8853 8852 8854 8922 8923 +CONECT 8854 8853 8855 8924 8925 +CONECT 8855 8854 8856 8926 8927 +CONECT 8856 8855 8857 8928 8929 +CONECT 8857 8856 8858 8930 8931 +CONECT 8858 8857 8859 8932 8933 +CONECT 8859 8858 8860 8934 8935 +CONECT 8860 8859 8861 8936 8937 +CONECT 8861 8860 8938 8939 8940 +CONECT 8862 8842 8863 8941 8942 +CONECT 8863 8862 8943 8944 8945 +CONECT 8864 8812 +CONECT 8865 8812 +CONECT 8866 8812 +CONECT 8867 8813 +CONECT 8868 8813 +CONECT 8869 8813 +CONECT 8870 8814 +CONECT 8871 8814 +CONECT 8872 8814 +CONECT 8873 8816 +CONECT 8874 8816 +CONECT 8875 8817 +CONECT 8876 8817 +CONECT 8877 8823 +CONECT 8878 8823 +CONECT 8879 8824 +CONECT 8880 8828 +CONECT 8881 8828 +CONECT 8882 8829 +CONECT 8883 8829 +CONECT 8884 8830 +CONECT 8885 8830 +CONECT 8886 8831 +CONECT 8887 8831 +CONECT 8888 8832 +CONECT 8889 8832 +CONECT 8890 8833 +CONECT 8891 8833 +CONECT 8892 8834 +CONECT 8893 8834 +CONECT 8894 8835 +CONECT 8895 8836 +CONECT 8896 8837 +CONECT 8897 8837 +CONECT 8898 8838 +CONECT 8899 8838 +CONECT 8900 8839 +CONECT 8901 8839 +CONECT 8902 8840 +CONECT 8903 8840 +CONECT 8904 8841 +CONECT 8905 8841 +CONECT 8906 8842 +CONECT 8907 8842 +CONECT 8908 8843 +CONECT 8909 8843 +CONECT 8910 8847 +CONECT 8911 8847 +CONECT 8912 8848 +CONECT 8913 8848 +CONECT 8914 8849 +CONECT 8915 8849 +CONECT 8916 8850 +CONECT 8917 8850 +CONECT 8918 8851 +CONECT 8919 8851 +CONECT 8920 8852 +CONECT 8921 8852 +CONECT 8922 8853 +CONECT 8923 8853 +CONECT 8924 8854 +CONECT 8925 8854 +CONECT 8926 8855 +CONECT 8927 8855 +CONECT 8928 8856 +CONECT 8929 8856 +CONECT 8930 8857 +CONECT 8931 8857 +CONECT 8932 8858 +CONECT 8933 8858 +CONECT 8934 8859 +CONECT 8935 8859 +CONECT 8936 8860 +CONECT 8937 8860 +CONECT 8938 8861 +CONECT 8939 8861 +CONECT 8940 8861 +CONECT 8941 8862 +CONECT 8942 8862 +CONECT 8943 8863 +CONECT 8944 8863 +CONECT 8945 8863 +CONECT 8946 8949 8998 8999 9000 +CONECT 8947 8949 9001 9002 9003 +CONECT 8948 8949 9004 9005 9006 +CONECT 8949 8946 8947 8948 8950 +CONECT 8950 8949 8951 9007 9008 +CONECT 8951 8950 8952 9009 9010 +CONECT 8952 8951 8953 +CONECT 8953 8952 8954 8955 8956 +CONECT 8954 8953 +CONECT 8955 8953 +CONECT 8956 8953 8957 +CONECT 8957 8956 8958 9011 9012 +CONECT 8958 8957 8959 8977 9013 +CONECT 8959 8958 8960 +CONECT 8960 8959 8961 8962 +CONECT 8961 8960 +CONECT 8962 8960 8963 9014 9015 +CONECT 8963 8962 8964 9016 9017 +CONECT 8964 8963 8965 9018 9019 +CONECT 8965 8964 8966 9020 9021 +CONECT 8966 8965 8967 9022 9023 +CONECT 8967 8966 8968 9024 9025 +CONECT 8968 8967 8969 9026 9027 +CONECT 8969 8968 8970 9028 +CONECT 8970 8969 8971 9029 +CONECT 8971 8970 8972 9030 9031 +CONECT 8972 8971 8973 9032 9033 +CONECT 8973 8972 8974 9034 9035 +CONECT 8974 8973 8975 9036 9037 +CONECT 8975 8974 8976 9038 9039 +CONECT 8976 8975 8996 9040 9041 +CONECT 8977 8958 8978 9042 9043 +CONECT 8978 8977 8979 +CONECT 8979 8978 8980 8981 +CONECT 8980 8979 +CONECT 8981 8979 8982 9044 9045 +CONECT 8982 8981 8983 9046 9047 +CONECT 8983 8982 8984 9048 9049 +CONECT 8984 8983 8985 9050 9051 +CONECT 8985 8984 8986 9052 9053 +CONECT 8986 8985 8987 9054 9055 +CONECT 8987 8986 8988 9056 9057 +CONECT 8988 8987 8989 9058 9059 +CONECT 8989 8988 8990 9060 9061 +CONECT 8990 8989 8991 9062 9063 +CONECT 8991 8990 8992 9064 9065 +CONECT 8992 8991 8993 9066 9067 +CONECT 8993 8992 8994 9068 9069 +CONECT 8994 8993 8995 9070 9071 +CONECT 8995 8994 9072 9073 9074 +CONECT 8996 8976 8997 9075 9076 +CONECT 8997 8996 9077 9078 9079 +CONECT 8998 8946 +CONECT 8999 8946 +CONECT 9000 8946 +CONECT 9001 8947 +CONECT 9002 8947 +CONECT 9003 8947 +CONECT 9004 8948 +CONECT 9005 8948 +CONECT 9006 8948 +CONECT 9007 8950 +CONECT 9008 8950 +CONECT 9009 8951 +CONECT 9010 8951 +CONECT 9011 8957 +CONECT 9012 8957 +CONECT 9013 8958 +CONECT 9014 8962 +CONECT 9015 8962 +CONECT 9016 8963 +CONECT 9017 8963 +CONECT 9018 8964 +CONECT 9019 8964 +CONECT 9020 8965 +CONECT 9021 8965 +CONECT 9022 8966 +CONECT 9023 8966 +CONECT 9024 8967 +CONECT 9025 8967 +CONECT 9026 8968 +CONECT 9027 8968 +CONECT 9028 8969 +CONECT 9029 8970 +CONECT 9030 8971 +CONECT 9031 8971 +CONECT 9032 8972 +CONECT 9033 8972 +CONECT 9034 8973 +CONECT 9035 8973 +CONECT 9036 8974 +CONECT 9037 8974 +CONECT 9038 8975 +CONECT 9039 8975 +CONECT 9040 8976 +CONECT 9041 8976 +CONECT 9042 8977 +CONECT 9043 8977 +CONECT 9044 8981 +CONECT 9045 8981 +CONECT 9046 8982 +CONECT 9047 8982 +CONECT 9048 8983 +CONECT 9049 8983 +CONECT 9050 8984 +CONECT 9051 8984 +CONECT 9052 8985 +CONECT 9053 8985 +CONECT 9054 8986 +CONECT 9055 8986 +CONECT 9056 8987 +CONECT 9057 8987 +CONECT 9058 8988 +CONECT 9059 8988 +CONECT 9060 8989 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9101 9103 9160 9161 +CONECT 9103 9102 9104 9162 +CONECT 9104 9103 9105 9163 +CONECT 9105 9104 9106 9164 9165 +CONECT 9106 9105 9107 9166 9167 +CONECT 9107 9106 9108 9168 9169 +CONECT 9108 9107 9109 9170 9171 +CONECT 9109 9108 9110 9172 9173 +CONECT 9110 9109 9130 9174 9175 +CONECT 9111 9092 9112 9176 9177 +CONECT 9112 9111 9113 +CONECT 9113 9112 9114 9115 +CONECT 9114 9113 +CONECT 9115 9113 9116 9178 9179 +CONECT 9116 9115 9117 9180 9181 +CONECT 9117 9116 9118 9182 9183 +CONECT 9118 9117 9119 9184 9185 +CONECT 9119 9118 9120 9186 9187 +CONECT 9120 9119 9121 9188 9189 +CONECT 9121 9120 9122 9190 9191 +CONECT 9122 9121 9123 9192 9193 +CONECT 9123 9122 9124 9194 9195 +CONECT 9124 9123 9125 9196 9197 +CONECT 9125 9124 9126 9198 9199 +CONECT 9126 9125 9127 9200 9201 +CONECT 9127 9126 9128 9202 9203 +CONECT 9128 9127 9129 9204 9205 +CONECT 9129 9128 9206 9207 9208 +CONECT 9130 9110 9131 9209 9210 +CONECT 9131 9130 9211 9212 9213 +CONECT 9132 9080 +CONECT 9133 9080 +CONECT 9134 9080 +CONECT 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a/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol.py +++ b/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol.py @@ -6,6 +6,7 @@ import gufe import mdtraj as mdt import numpy as np +import openmm import pytest from numpy.testing import assert_allclose from openff.units import unit as offunit @@ -17,9 +18,11 @@ HarmonicAngleForce, HarmonicBondForce, MonteCarloBarostat, + MonteCarloMembraneBarostat, NonbondedForce, PeriodicTorsionForce, ) +from openmm import unit as omm_unit from openmm import unit as ommunit from openmmtools.alchemy import ( AlchemicalRegion, @@ -179,7 +182,13 @@ class TestT4LysozymeDryRun: solvent = SolventComponent(ion_concentration=0 * offunit.molar) num_all_not_water = 2634 num_complex_atoms = 2613 - num_solvent_atoms = 12 + # No ions + num_ligand_atoms = 12 + + barostat_by_phase = { + "complex": MonteCarloBarostat, + "solvent": MonteCarloBarostat, + } @pytest.fixture(scope="class") def protocol(self, settings): @@ -253,19 +262,20 @@ def _assert_force_num(self, system, forcetype, number): forces = [f for f in system.getForces() if isinstance(f, forcetype)] assert len(forces) == number - def _assert_expected_alchemical_forces(self, system, complexed: bool, settings): + def _assert_expected_alchemical_forces(self, system, phase: str, settings): """ Assert the forces expected in the alchemical system. """ + barostat_type = self.barostat_by_phase[phase] self._assert_force_num(system, NonbondedForce, 1) self._assert_force_num(system, CustomNonbondedForce, 2) self._assert_force_num(system, CustomBondForce, 2) self._assert_force_num(system, HarmonicBondForce, 1) self._assert_force_num(system, HarmonicAngleForce, 1) self._assert_force_num(system, PeriodicTorsionForce, 1) - self._assert_force_num(system, MonteCarloBarostat, 1) + self._assert_force_num(system, barostat_type, 1) - if complexed: + if phase == "complex": self._assert_force_num(system, CustomCompoundBondForce, 1) assert len(system.getForces()) == 10 else: @@ -281,23 +291,26 @@ def _assert_expected_alchemical_forces(self, system, complexed: bool, settings): ) # Check the barostat made it all the way through - barostat = [f for f in system.getForces() if isinstance(f, MonteCarloBarostat)] + barostat = [f for f in system.getForces() if isinstance(f, barostat_type)] assert len(barostat) == 1 - assert barostat[0].getFrequency() == int(settings.integrator_settings.barostat_frequency.m) + assert barostat[0].getFrequency() == int( + settings.complex_integrator_settings.barostat_frequency.m + ) assert barostat[0].getDefaultPressure() == to_openmm(settings.thermo_settings.pressure) assert barostat[0].getDefaultTemperature() == to_openmm( settings.thermo_settings.temperature ) - def _assert_expected_nonalchemical_forces(self, system, settings): + def _assert_expected_nonalchemical_forces(self, system, phase: str, settings): """ Assert the forces expected in the non-alchemical system. """ + barostat_type = self.barostat_by_phase[phase] self._assert_force_num(system, NonbondedForce, 1) self._assert_force_num(system, HarmonicBondForce, 1) self._assert_force_num(system, HarmonicAngleForce, 1) self._assert_force_num(system, PeriodicTorsionForce, 1) - self._assert_force_num(system, MonteCarloBarostat, 1) + self._assert_force_num(system, barostat_type, 1) assert len(system.getForces()) == 5 @@ -311,15 +324,17 @@ def _assert_expected_nonalchemical_forces(self, system, settings): ) # Check the barostat made it all the way through - barostat = [f for f in system.getForces() if isinstance(f, MonteCarloBarostat)] + barostat = [f for f in system.getForces() if isinstance(f, barostat_type)] assert len(barostat) == 1 - assert barostat[0].getFrequency() == int(settings.integrator_settings.barostat_frequency.m) + assert barostat[0].getFrequency() == int( + settings.complex_integrator_settings.barostat_frequency.m + ) assert barostat[0].getDefaultPressure() == to_openmm(settings.thermo_settings.pressure) assert barostat[0].getDefaultTemperature() == to_openmm( settings.thermo_settings.temperature ) - def _verify_sampler(self, sampler, complexed: bool, settings): + def _verify_sampler(self, sampler, phase: str, settings): """ Utility to verify the contents of the sampler. """ @@ -331,7 +346,10 @@ def _verify_sampler(self, sampler, complexed: bool, settings): ) for state in sampler._thermodynamic_states: system = state.get_system(remove_thermostat=True) - self._assert_expected_alchemical_forces(system, complexed, settings) + self._assert_expected_alchemical_forces(system, phase, settings) + + def _check_box_vectors(self, system): + self._test_dodecahedron_vectors(system) @staticmethod def _test_dodecahedron_vectors(system): @@ -405,21 +423,24 @@ def test_complex_dry_run(self, complex_setup_units, complex_sim_units, settings, ) # Check the sampler - self._verify_sampler(sim_results["sampler"], complexed=True, settings=settings) + self._verify_sampler(sim_results["sampler"], "complex", settings=settings) # Check the alchemical system self._assert_expected_alchemical_forces( - setup_results["alchem_system"], complexed=True, settings=settings + setup_results["alchem_system"], "complex", settings=settings ) - self._test_dodecahedron_vectors(setup_results["alchem_system"]) + self._check_box_vectors(setup_results["alchem_system"]) # Check the alchemical indices - expected_indices = [i + self.num_complex_atoms for i in range(self.num_solvent_atoms)] + expected_indices = [i + self.num_complex_atoms for i in range(self.num_ligand_atoms)] assert expected_indices == setup_results["alchem_indices"] # Check the non-alchemical system - self._assert_expected_nonalchemical_forces(setup_results["standard_system"], settings) - self._test_dodecahedron_vectors(setup_results["standard_system"]) + self._assert_expected_nonalchemical_forces( + setup_results["standard_system"], "complex", settings=settings + ) + self._check_box_vectors(setup_results["standard_system"]) + # Check the box vectors haven't changed (they shouldn't have because we didn't do MD) assert_allclose( from_openmm(setup_results["alchem_system"].getDefaultPeriodicBoxVectors()), @@ -443,7 +464,7 @@ def test_solvent_dry_run(self, solvent_setup_units, solvent_sim_units, settings, with tmpdir.as_cwd(): setup_results = solvent_setup_units[0].run(dry=True, verbose=True) sim_results = solvent_sim_units[0].run( - system=setup_results["alchem_system"], + system=setup_results["standard_system"], positions=setup_results["debug_positions"], selection_indices=setup_results["selection_indices"], box_vectors=setup_results["box_vectors"], @@ -452,21 +473,24 @@ def test_solvent_dry_run(self, solvent_setup_units, solvent_sim_units, settings, ) # Check the sampler - self._verify_sampler(sim_results["sampler"], complexed=False, settings=settings) + self._verify_sampler(sim_results["sampler"], "solvent", settings=settings) # Check the alchemical system self._assert_expected_alchemical_forces( - setup_results["alchem_system"], complexed=False, settings=settings + setup_results["alchem_system"], "solvent", settings=settings ) self._test_cubic_vectors(setup_results["alchem_system"]) # Check the alchemical indices - expected_indices = [i for i in range(self.num_solvent_atoms)] + expected_indices = [i for i in range(self.num_ligand_atoms)] assert expected_indices == setup_results["alchem_indices"] # Check the non-alchemical system - self._assert_expected_nonalchemical_forces(setup_results["standard_system"], settings) + self._assert_expected_nonalchemical_forces( + setup_results["standard_system"], "solvent", settings=settings + ) self._test_cubic_vectors(setup_results["standard_system"]) + # Check the box vectors haven't changed (they shouldn't have because we didn't do MD) assert_allclose( from_openmm(setup_results["alchem_system"].getDefaultPeriodicBoxVectors()), @@ -475,7 +499,7 @@ def test_solvent_dry_run(self, solvent_setup_units, solvent_sim_units, settings, # Check the PDB pdb = mdt.load_pdb(setup_results["pdb_structure"]) - assert pdb.n_atoms == self.num_solvent_atoms + assert pdb.n_atoms == self.num_ligand_atoms # Check energies alchem_region = AlchemicalRegion(alchemical_atoms=setup_results["alchem_indices"]) @@ -511,8 +535,10 @@ def settings(self): "amber/tip4pew_standard.xml", # FF we are testsing with the fun VS "amber/phosaa10.xml", # Handles THE TPO ] - s.integrator_settings.reassign_velocities = True - s.integrator_settings.barostat_frequency = 100.0 * offunit.timestep + s.complex_integrator_settings.reassign_velocities = True + s.solvent_integrator_settings.reassign_velocities = True + s.complex_integrator_settings.barostat_frequency = 100.0 * offunit.timestep + s.solvent_integrator_settings.barostat_frequency = 100.0 * offunit.timestep s.thermo_settings.pressure = 1.1 * offunit.bar return s @@ -585,3 +611,99 @@ def assign_fictitious_charges(offmol): offsets = alchem_system_nbf.getParticleParameterOffset(i) assert pytest.approx(prop_chgs[i]) == offsets[2] + + +class TestA2AMembraneDryRun(TestT4LysozymeDryRun): + solvent = SolventComponent(ion_concentration=0 * offunit.molar) + num_all_not_water = 16080 + num_complex_atoms = 39390 + # No ions + num_ligand_atoms = 36 + + barostat_by_phase = { + "complex": MonteCarloMembraneBarostat, + "solvent": MonteCarloBarostat, + } + + @pytest.fixture(scope="class") + def settings(self): + s = openmm_afe.AbsoluteBindingProtocol.default_settings() + s.protocol_repeats = 1 + s.engine_settings.compute_platform = "cpu" + s.complex_output_settings.output_indices = "not water" + s.solvent_solvation_settings.box_shape = "cube" + s.complex_integrator_settings.barostat = "MonteCarloMembraneBarostat" + s.forcefield_settings.forcefields = [ + "amber/ff14SB.xml", + "amber/tip3p_standard.xml", + "amber/tip3p_HFE_multivalent.xml", + "amber/lipid17_merged.xml", + "amber/phosaa10.xml", + ] + return s + + @pytest.fixture(scope="class") + def dag(self, protocol, a2a_ligands, a2a_protein_membrane_component): + stateA = ChemicalSystem( + { + "ligand": a2a_ligands[0], + "protein": a2a_protein_membrane_component, + "solvent": self.solvent, + } + ) + + stateB = ChemicalSystem( + { + "protein": a2a_protein_membrane_component, + "solvent": self.solvent, + } + ) + + return protocol.create( + stateA=stateA, + stateB=stateB, + mapping=None, + ) + + def _check_box_vectors(self, system): + self._test_orthogonal_vectors(system) + + def _verify_sampler(self, sampler, phase: str, settings): + """ + Utility to verify the contents of the sampler. + """ + assert sampler.is_periodic + assert isinstance(sampler, MultiStateSampler) + barostat_type = self.barostat_by_phase[phase] + assert isinstance(sampler._thermodynamic_states[0].barostat, barostat_type) + assert sampler._thermodynamic_states[1].pressure == to_openmm( + settings.thermo_settings.pressure + ) + for state in sampler._thermodynamic_states: + system = state.get_system(remove_thermostat=True) + self._assert_expected_alchemical_forces(system, phase, settings) + + @staticmethod + def _test_orthogonal_vectors(system): + """Test that the system has an orthorhombic (rectangular) periodic box.""" + vectors = system.getDefaultPeriodicBoxVectors() + vectors = from_openmm(vectors) # convert to a Quantity array + + # Extract box lengths in nanometers + width_x, width_y, width_z = [v[i].to("nanometer").m for i, v in enumerate(vectors)] + + # Expected orthogonal box (axis-aligned) + expected_vectors = ( + np.array( + [ + [width_x, 0, 0], + [0, width_y, 0], + [0, 0, width_z], + ] + ) + * offunit.nanometer + ) + + assert_allclose( + vectors, expected_vectors, atol=1e-5, err_msg=f"Box is not orthogonal:\n{vectors}" + ) diff --git a/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol_results.py b/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol_results.py index 5d815c713..78577ac34 100644 --- a/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol_results.py +++ b/src/openfe/tests/protocols/openmm_abfe/test_abfe_protocol_results.py @@ -157,7 +157,7 @@ def test_get_estimate(self, protocolresult): est = protocolresult.get_estimate() assert est - assert est.m == pytest.approx(-21.35, abs=0.01) + assert est.m == pytest.approx(-19.74, abs=0.01) assert isinstance(est, offunit.Quantity) assert est.is_compatible_with(offunit.kilojoule_per_mole) @@ -165,7 +165,7 @@ def test_get_uncertainty(self, protocolresult): est = protocolresult.get_uncertainty() assert est - assert est.m == pytest.approx(1.04, abs=0.01) + assert est.m == pytest.approx(0.85, abs=0.01) assert isinstance(est, offunit.Quantity) assert est.is_compatible_with(offunit.kilojoule_per_mole) @@ -270,13 +270,13 @@ def test_restraint_geometry(self, protocolresult): assert len(geom) == 3 assert isinstance(geom[0], BoreschRestraintGeometry) assert geom[0].guest_atoms == [1779, 1778, 1777] - assert geom[0].host_atoms == [880, 865, 864] - assert pytest.approx(geom[0].r_aA0, rel=1e-2) == 1.083558 * offunit.nanometer - assert pytest.approx(geom[0].theta_A0, rel=1e-2) == 0.711876 * offunit.radian - assert pytest.approx(geom[0].theta_B0, rel=1e-2) == 1.687366 * offunit.radian - assert pytest.approx(geom[0].phi_A0, rel=1e-2) == -0.2164231 * offunit.radian - assert pytest.approx(geom[0].phi_B0, rel=1e-2) == 1.892376 * offunit.radian - assert pytest.approx(geom[0].phi_C0, rel=1e-2) == -0.522031870 * offunit.radian + assert geom[0].host_atoms == [852, 853, 854] + assert pytest.approx(geom[0].r_aA0, rel=1e-2) == 1.041035 * offunit.nanometer + assert pytest.approx(geom[0].theta_A0, rel=1e-2) == 1.063788 * offunit.radian + assert pytest.approx(geom[0].theta_B0, rel=1e-2) == 1.230858 * offunit.radian + assert pytest.approx(geom[0].phi_A0, rel=1e-2) == 1.155133 * offunit.radian + assert pytest.approx(geom[0].phi_B0, rel=1e-2) == 1.141134 * offunit.radian + assert pytest.approx(geom[0].phi_C0, rel=1e-2) == -0.621615 * offunit.radian @pytest.mark.parametrize( "key, expected_size", diff --git a/src/openfe/tests/protocols/openmm_abfe/test_abfe_validation.py b/src/openfe/tests/protocols/openmm_abfe/test_abfe_validation.py index 38cfcc558..77b5286dc 100644 --- a/src/openfe/tests/protocols/openmm_abfe/test_abfe_validation.py +++ b/src/openfe/tests/protocols/openmm_abfe/test_abfe_validation.py @@ -167,7 +167,7 @@ def test_validate_endstates_nosolvcomp_stateB(benzene_modifications, T4_protein_ } ) - with pytest.raises(ValueError, match="No SolventComponent"): + with pytest.raises(ValueError, match="No SolventComponent found"): AbsoluteBindingProtocol._validate_endstates(stateA, stateB) diff --git a/src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_protocol.py b/src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_protocol.py index bd7a1f72f..21a424273 100644 --- a/src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_protocol.py +++ b/src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_protocol.py @@ -19,7 +19,14 @@ from openff.toolkit import Molecule from openff.units import unit from openff.units.openmm import ensure_quantity, from_openmm, to_openmm -from openmm import CustomNonbondedForce, MonteCarloBarostat, NonbondedForce, XmlSerializer, app +from openmm import ( + CustomNonbondedForce, + MonteCarloBarostat, + MonteCarloMembraneBarostat, + NonbondedForce, + XmlSerializer, + app, +) from openmm import unit as omm_unit from openmmforcefields.generators import SMIRNOFFTemplateGenerator from openmmtools.multistate.multistatesampler import MultiStateSampler @@ -1089,6 +1096,95 @@ def test_dry_run_complex( assert pdb.n_atoms == 2629 +@pytest.mark.slow +def test_dry_run_membrane_complex( + a2a_protein_membrane_component, + a2a_ligands, + tmpdir, +): + ligA = next(c for c in a2a_ligands if c.name == "4g") + ligB = next(c for c in a2a_ligands if c.name == "4h") + + mapping = openfe.LigandAtomMapping( + componentA=ligA, + componentB=ligB, + componentA_to_componentB={i: i for i in range(36)}, + ) + + settings = openmm_rfe.RelativeHybridTopologyProtocol.default_settings() + settings.protocol_repeats = 1 + settings.integrator_settings.barostat = "MonteCarloMembraneBarostat" + settings.engine_settings.compute_platform = "cpu" + settings.forcefield_settings.forcefields = [ + "amber/ff14SB.xml", + "amber/tip3p_standard.xml", + "amber/tip3p_HFE_multivalent.xml", + "amber/lipid17_merged.xml", + "amber/phosaa10.xml", + ] + settings.output_settings.output_indices = "protein or resname UNK" + + protocol = openmm_rfe.RelativeHybridTopologyProtocol( + settings=settings, + ) + + systemA = openfe.ChemicalSystem( + {"ligand": mapping.componentA, "protein": a2a_protein_membrane_component}, + name=f"{mapping.componentA.name}_{a2a_protein_membrane_component.name}", + ) + systemB = openfe.ChemicalSystem( + {"ligand": mapping.componentB, "protein": a2a_protein_membrane_component}, + name=f"{mapping.componentB.name}_{a2a_protein_membrane_component.name}", + ) + dag = protocol.create( + stateA=systemA, + stateB=systemB, + mapping=mapping, + ) + dag_setup_unit = _get_units(dag.protocol_units, HybridTopologySetupUnit)[0] + dag_sim_unit = _get_units(dag.protocol_units, HybridTopologyMultiStateSimulationUnit)[0] + + with tmpdir.as_cwd(): + setup_results = dag_setup_unit.run(dry=True) + sim_results = dag_sim_unit.run( + system=setup_results["hybrid_system"], + positions=setup_results["hybrid_positions"], + selection_indices=setup_results["selection_indices"], + dry=True, + ) + sampler = sim_results["sampler"] + + assert isinstance(sampler, MultiStateSampler) + assert sampler.is_periodic + assert isinstance(sampler._thermodynamic_states[0].barostat, MonteCarloMembraneBarostat) + assert sampler._thermodynamic_states[1].pressure == 1 * omm_unit.bar + + # Check we have the right number of atoms in the PDB + pdb = mdt.load_pdb("hybrid_system.pdb") + assert pdb.n_atoms == 4690 + box = sampler._thermodynamic_states[0].system.getDefaultPeriodicBoxVectors() + vectors = from_openmm(box) # convert to a Quantity array + + # Extract box lengths in nanometers + width_x, width_y, width_z = [v[i].to("nanometer").m for i, v in enumerate(vectors)] + + # Expected orthogonal box (axis-aligned) + expected_vectors = ( + np.array( + [ + [width_x, 0, 0], + [0, width_y, 0], + [0, 0, width_z], + ] + ) + * unit.nanometer + ) + + assert_allclose( + vectors, expected_vectors, atol=1e-5, err_msg=f"Box is not orthogonal:\n{vectors}" + ) + + def test_lambda_schedule_default(): lambdas = openmm_rfe._rfe_utils.lambdaprotocol.LambdaProtocol(functions="default") assert len(lambdas.lambda_schedule) == 10 diff --git a/src/openfe/tests/protocols/openmm_septop/test_septop_protocol.py b/src/openfe/tests/protocols/openmm_septop/test_septop_protocol.py index e5e4a9f91..2efda3720 100644 --- a/src/openfe/tests/protocols/openmm_septop/test_septop_protocol.py +++ b/src/openfe/tests/protocols/openmm_septop/test_septop_protocol.py @@ -16,7 +16,7 @@ import pytest from numpy.testing import assert_allclose from openff.units import unit as offunit -from openff.units.openmm import ensure_quantity, from_openmm +from openff.units.openmm import ensure_quantity, from_openmm, to_openmm from openmm import ( CustomBondForce, CustomCompoundBondForce, @@ -24,11 +24,18 @@ HarmonicAngleForce, HarmonicBondForce, MonteCarloBarostat, + MonteCarloMembraneBarostat, NonbondedForce, PeriodicTorsionForce, ) +from openmm import unit as omm_unit from openmmtools.alchemy import AbsoluteAlchemicalFactory, AlchemicalRegion from openmmtools.multistate.multistatesampler import MultiStateSampler +from openmmtools.tests.test_alchemy import ( + check_interacting_energy_components, + check_noninteracting_energy_components, + compare_system_energies, +) import openfe.protocols.openmm_septop from openfe import ChemicalSystem, SolventComponent @@ -359,7 +366,7 @@ def test_charge_error_create(charged_benzene_modifications, T4_protein_component ], ) def test_validate_complex_endstates_protcomp(request, system_A, system_B, fail_endstate): - with pytest.raises(ValueError, match=f"No ProteinComponent found in {fail_endstate}"): + with pytest.raises(ValueError, match="No ProteinComponent found"): SepTopProtocol._validate_complex_endstates( request.getfixturevalue(system_A), request.getfixturevalue(system_B), @@ -389,7 +396,7 @@ def test_validate_complex_endstates_nosolvcomp( system_B, fail_endstate, ): - with pytest.raises(ValueError, match=f"No SolventComponent found in {fail_endstate}"): + with pytest.raises(ValueError, match="No SolventComponent found"): SepTopProtocol._validate_complex_endstates( request.getfixturevalue(system_A), request.getfixturevalue(system_B), @@ -710,7 +717,7 @@ def test_dry_run_benzene_toluene(benzene_toluene_dag, tmpdir): assert len(complex_run_unit) == 1 with tmpdir.as_cwd(): - solv_setup_output = solv_setup_unit[0].run(dry=True) + solv_setup_output = solv_setup_unit[0].run(dry=True)["debug"] pdb = md.load_pdb("topology.pdb") assert pdb.n_atoms == 1762 central_atoms = np.array([[2, 19]], dtype=np.int32) @@ -746,7 +753,7 @@ def test_dry_run_benzene_toluene(benzene_toluene_dag, tmpdir): if isinstance(f, CustomNonbondedForce) and "U_sterics" in f.getEnergyFunction(): _verify_alchemical_sterics_force_parameters(f) - complex_setup_output = complex_setup_unit[0].run(dry=True) + complex_setup_output = complex_setup_unit[0].run(dry=True)["debug"] serialized_topology = complex_setup_output["topology"] serialized_system = complex_setup_output["system"] complex_sampler = complex_run_unit[0].run( @@ -805,7 +812,7 @@ def test_dry_run_methods( solv_setup_unit = [u for u in dag_units if isinstance(u, SepTopSolventSetupUnit)] sol_run_unit = [u for u in dag_units if isinstance(u, SepTopSolventRunUnit)] with tmpdir.as_cwd(): - solv_setup_output = solv_setup_unit[0].run(dry=True) + solv_setup_output = solv_setup_unit[0].run(dry=True)["debug"] serialized_topology = solv_setup_output["topology"] serialized_system = solv_setup_output["system"] solv_sampler = sol_run_unit[0].run( @@ -856,7 +863,7 @@ def test_dry_run_ligand_system_pressure( solv_setup_unit = [u for u in dag_units if isinstance(u, SepTopSolventSetupUnit)] sol_run_unit = [u for u in dag_units if isinstance(u, SepTopSolventRunUnit)] with tmpdir.as_cwd(): - solv_setup_output = solv_setup_unit[0].run(dry=True) + solv_setup_output = solv_setup_unit[0].run(dry=True)["debug"] serialized_topology = solv_setup_output["topology"] serialized_system = solv_setup_output["system"] solv_sampler = sol_run_unit[0].run( @@ -882,7 +889,7 @@ def test_virtual_sites_no_reassign( "amber/tip4pew_standard.xml", # FF with VS ] protocol_dry_settings.solvent_solvation_settings.solvent_model = "tip4pew" - protocol_dry_settings.integrator_settings.reassign_velocities = False + protocol_dry_settings.solvent_integrator_settings.reassign_velocities = False protocol = SepTopProtocol( settings=protocol_dry_settings, @@ -931,7 +938,7 @@ def test_dry_run_ligand_system_cutoff( solv_setup_unit = [u for u in dag_units if isinstance(u, SepTopSolventSetupUnit)] with tmpdir.as_cwd(): - serialized_system = solv_setup_unit[0].run(dry=True)["system"] + serialized_system = solv_setup_unit[0].run(dry=True)["debug"]["system"] system = deserialize(serialized_system) nbfs = [ f @@ -956,7 +963,7 @@ def test_dry_run_benzene_toluene_tip4p( "amber/phosaa10.xml", # Handles THE TPO ] protocol_dry_settings.solvent_solvation_settings.solvent_model = "tip4pew" - protocol_dry_settings.integrator_settings.reassign_velocities = True + protocol_dry_settings.solvent_integrator_settings.reassign_velocities = True protocol = SepTopProtocol(settings=protocol_dry_settings) @@ -979,7 +986,7 @@ def test_dry_run_benzene_toluene_tip4p( assert len(sol_run_unit) == 1 with tmpdir.as_cwd(): - solv_setup_output = solv_setup_unit[0].run(dry=True) + solv_setup_output = solv_setup_unit[0].run(dry=True)["debug"] serialized_topology = solv_setup_output["topology"] serialized_system = solv_setup_output["system"] solv_run = sol_run_unit[0].run( @@ -1017,7 +1024,7 @@ def test_dry_run_benzene_toluene_noncubic( assert len(solv_setup_unit) == 1 with tmpdir.as_cwd(): - solv_setup_output = solv_setup_unit[0].run(dry=True) + solv_setup_output = solv_setup_unit[0].run(dry=True)["debug"] serialized_system = solv_setup_output["system"] system = deserialize(serialized_system) vectors = system.getDefaultPeriodicBoxVectors() @@ -1106,7 +1113,7 @@ def check_partial_charges(offmol): # check sol_unit charges with tmpdir.as_cwd(): - serialized_system = solv_setup_unit[0].run(dry=True)["system"] + serialized_system = solv_setup_unit[0].run(dry=True)["debug"]["system"] system = deserialize(serialized_system) nonbond = [f for f in system.getForces() if isinstance(f, openmm.NonbondedForce)] assert len(nonbond) == 1 @@ -1125,7 +1132,7 @@ def check_partial_charges(offmol): # check complex_unit charges with tmpdir.as_cwd(): - serialized_system = complex_setup_unit[0].run(dry=True)["system"] + serialized_system = complex_setup_unit[0].run(dry=True)["debug"]["system"] system = deserialize(serialized_system) nonbond = [f for f in system.getForces() if isinstance(f, openmm.NonbondedForce)] assert len(nonbond) == 1 @@ -1192,7 +1199,7 @@ def T4L_xml( tmp = tmp_path_factory.mktemp("xml_reg") - dryrun = solv_setup_unit[0].run(dry=True, shared_basepath=tmp) + dryrun = solv_setup_unit[0].run(dry=True, shared_basepath=tmp)["debug"] system = dryrun["system"] return deserialize(system) @@ -1373,7 +1380,7 @@ def test_get_estimate(self, protocolresult): est = protocolresult.get_estimate() assert est - assert est.m == pytest.approx(5.18, abs=0.1) + assert est.m == pytest.approx(3.82, abs=0.1) assert isinstance(est, offunit.Quantity) assert est.is_compatible_with(offunit.kilojoule_per_mole) @@ -1491,9 +1498,303 @@ def test_restraint_geometry(self, protocolresult): assert isinstance(geom[0][0], BoreschRestraintGeometry) assert geom[0][0].guest_atoms == [1779, 1778, 1777] assert geom[0][0].host_atoms == [802, 801, 800] - assert pytest.approx(geom[0][0].r_aA0) == 0.774170 * offunit.nanometer - assert pytest.approx(geom[0][0].theta_A0) == 1.793181 * offunit.radian - assert pytest.approx(geom[0][0].theta_B0) == 1.501008 * offunit.radian - assert pytest.approx(geom[0][0].phi_A0) == 0.939174 * offunit.radian - assert pytest.approx(geom[0][0].phi_B0) == -1.504071 * offunit.radian - assert pytest.approx(geom[0][0].phi_C0) == -0.745093 * offunit.radian + assert pytest.approx(geom[0][0].r_aA0) == 0.798936 * offunit.nanometer + assert pytest.approx(geom[0][0].theta_A0) == 2.049091 * offunit.radian + assert pytest.approx(geom[0][0].theta_B0) == 1.221973 * offunit.radian + assert pytest.approx(geom[0][0].phi_A0) == 0.956774 * offunit.radian + assert pytest.approx(geom[0][0].phi_B0) == -1.217188 * offunit.radian + assert pytest.approx(geom[0][0].phi_C0) == -1.068226 * offunit.radian + + +class TestA2AMembraneDryRun: + solvent = SolventComponent(ion_concentration=0 * offunit.molar) + num_all_not_water = 16116 + num_complex_atoms = 39462 + num_ligand_atoms_A = 36 + num_ligand_atoms_B = 36 + + @pytest.fixture(scope="class") + def protocol(self, settings): + return SepTopProtocol( + settings=settings, + ) + + @pytest.fixture(scope="class") + def settings(self): + s = SepTopProtocol.default_settings() + s.protocol_repeats = 1 + s.engine_settings.compute_platform = "cpu" + s.complex_output_settings.output_indices = "not water" + s.complex_solvation_settings.box_shape = "dodecahedron" + s.complex_solvation_settings.solvent_padding = 0.9 * offunit.nanometer + s.solvent_solvation_settings.box_shape = "cube" + s.complex_integrator_settings.barostat = "MonteCarloMembraneBarostat" + s.forcefield_settings.forcefields = [ + "amber/ff14SB.xml", + "amber/tip3p_standard.xml", + "amber/tip3p_HFE_multivalent.xml", + "amber/lipid17_merged.xml", + "amber/phosaa10.xml", + ] + return s + + @pytest.fixture(scope="function") + def dag(self, protocol, a2a_ligands, a2a_protein_membrane_component): + print("atoms", len(a2a_ligands[0]._to_dict()["atoms"])) + print("atomsB", len(a2a_ligands[1]._to_dict()["atoms"])) + stateA = ChemicalSystem( + { + "ligandA": a2a_ligands[0], + "protein": a2a_protein_membrane_component, + "solvent": self.solvent, + } + ) + + stateB = ChemicalSystem( + { + "ligandB": a2a_ligands[1], + "protein": a2a_protein_membrane_component, + "solvent": self.solvent, + } + ) + + return protocol.create( + stateA=stateA, + stateB=stateB, + mapping=None, + ) + + @pytest.fixture(scope="function") + def complex_setup_units(self, dag): + return [u for u in dag.protocol_units if isinstance(u, SepTopComplexSetupUnit)] + + @pytest.fixture(scope="function") + def complex_run_units(self, dag): + return [u for u in dag.protocol_units if isinstance(u, SepTopComplexRunUnit)] + + @pytest.fixture(scope="function") + def solvent_setup_units(self, dag): + return [u for u in dag.protocol_units if isinstance(u, SepTopSolventSetupUnit)] + + @pytest.fixture(scope="function") + def solvent_run_units(self, dag): + return [u for u in dag.protocol_units if isinstance(u, SepTopSolventRunUnit)] + + def test_number_of_units( + self, dag, complex_setup_units, complex_run_units, solvent_setup_units, solvent_run_units + ): + assert len(list(dag.protocol_units)) == 4 + assert len(complex_setup_units) == 1 + assert len(complex_run_units) == 1 + assert len(solvent_setup_units) == 1 + assert len(solvent_run_units) == 1 + + def _assert_force_num(self, system, forcetype, number): + forces = [f for f in system.getForces() if isinstance(f, forcetype)] + assert len(forces) == number + + def _assert_expected_alchemical_forces(self, system, complexed: bool, settings): + """ + Assert the forces expected in the alchemical system. + """ + if complexed: + barostat_type = MonteCarloMembraneBarostat + self._assert_force_num(system, HarmonicBondForce, 1) + # Two custom bonds for the two Boresch restraints + self._assert_force_num(system, CustomCompoundBondForce, 2) + assert len(system.getForces()) == 15 + else: + # Extra bond in the solvent + self._assert_force_num(system, HarmonicBondForce, 2) + assert len(system.getForces()) == 14 + barostat_type = MonteCarloBarostat + + self._assert_force_num(system, NonbondedForce, 1) + self._assert_force_num(system, CustomNonbondedForce, 4) + self._assert_force_num(system, CustomBondForce, 4) + self._assert_force_num(system, HarmonicAngleForce, 1) + self._assert_force_num(system, PeriodicTorsionForce, 1) + self._assert_force_num(system, barostat_type, 1) + + # Check the nonbonded force has the right contents + nonbond = [f for f in system.getForces() if isinstance(f, NonbondedForce)] + assert len(nonbond) == 1 + assert nonbond[0].getNonbondedMethod() == NonbondedForce.PME + assert ( + from_openmm(nonbond[0].getCutoffDistance()) + == settings.forcefield_settings.nonbonded_cutoff + ) + + # Check the barostat made it all the way through + barostat = [f for f in system.getForces() if isinstance(f, barostat_type)] + assert len(barostat) == 1 + assert barostat[0].getFrequency() == int( + settings.complex_integrator_settings.barostat_frequency.m + ) + assert barostat[0].getDefaultPressure() == to_openmm(settings.thermo_settings.pressure) + assert barostat[0].getDefaultTemperature() == to_openmm( + settings.thermo_settings.temperature + ) + + def _assert_expected_nonalchemical_forces(self, system, complexed: bool, settings): + """ + Assert the forces expected in the non-alchemical system. + """ + if complexed: + barostat_type = MonteCarloMembraneBarostat + else: + barostat_type = MonteCarloBarostat + self._assert_force_num(system, NonbondedForce, 1) + self._assert_force_num(system, HarmonicBondForce, 1) + self._assert_force_num(system, HarmonicAngleForce, 1) + self._assert_force_num(system, PeriodicTorsionForce, 1) + self._assert_force_num(system, barostat_type, 1) + + assert len(system.getForces()) == 5 + + # Check that the nonbonded force has the right contents + nonbond = [f for f in system.getForces() if isinstance(f, NonbondedForce)] + assert len(nonbond) == 1 + assert nonbond[0].getNonbondedMethod() == NonbondedForce.PME + assert ( + from_openmm(nonbond[0].getCutoffDistance()) + == settings.forcefield_settings.nonbonded_cutoff + ) + + # Check the barostat made it all the way through + barostat = [f for f in system.getForces() if isinstance(f, barostat_type)] + assert len(barostat) == 1 + assert barostat[0].getFrequency() == int( + settings.complex_integrator_settings.barostat_frequency.m + ) + assert barostat[0].getDefaultPressure() == to_openmm(settings.thermo_settings.pressure) + assert barostat[0].getDefaultTemperature() == to_openmm( + settings.thermo_settings.temperature + ) + + def _verify_sampler(self, sampler, complexed: bool, settings): + """ + Utility to verify the contents of the sampler. + """ + assert sampler.is_periodic + assert isinstance(sampler, MultiStateSampler) + if complexed: + barostat_type = MonteCarloMembraneBarostat + else: + barostat_type = MonteCarloBarostat + assert isinstance(sampler._thermodynamic_states[0].barostat, barostat_type) + assert sampler._thermodynamic_states[1].pressure == to_openmm( + settings.thermo_settings.pressure + ) + for state in sampler._thermodynamic_states: + system = state.get_system(remove_thermostat=True) + self._assert_expected_alchemical_forces(system, complexed, settings) + + @staticmethod + def _test_orthogonal_vectors(system): + """Test that the system has an orthorhombic (rectangular) periodic box.""" + vectors = system.getDefaultPeriodicBoxVectors() + vectors = from_openmm(vectors) # convert to a Quantity array + + # Extract box lengths in nanometers + width_x, width_y, width_z = [v[i].to("nanometer").m for i, v in enumerate(vectors)] + + # Expected orthogonal box (axis-aligned) + expected_vectors = ( + np.array( + [ + [width_x, 0, 0], + [0, width_y, 0], + [0, 0, width_z], + ] + ) + * offunit.nanometer + ) + + assert_allclose( + vectors, expected_vectors, atol=1e-5, err_msg=f"Box is not orthogonal:\n{vectors}" + ) + + @staticmethod + def _test_cubic_vectors(system): + # cube is an identity matrix + vectors = system.getDefaultPeriodicBoxVectors() + width = float(from_openmm(vectors)[0][0].to("nanometer").m) + + expected_vectors = [ + [width, 0, 0], + [0, width, 0], + [0, 0, width], + ] * offunit.nanometer + + assert_allclose( + expected_vectors, + from_openmm(vectors), + ) + + def test_complex_dry_run(self, complex_setup_units, complex_run_units, settings, tmpdir): + # with tmpdir.as_cwd(): + complex_setup_output = complex_setup_units[0].run(dry=True)["debug"] + serialized_topology = complex_setup_output["topology"] + serialized_system = complex_setup_output["system"] + data = complex_run_units[0].run( + serialized_system, serialized_topology, dry=True + )["debug"] # fmt: skip + # Check the sampler + self._verify_sampler(data["sampler"], complexed=True, settings=settings) + + # Check the alchemical system + self._assert_expected_alchemical_forces( + data["alchem_system"], complexed=True, settings=settings + ) + self._test_orthogonal_vectors(data["alchem_system"]) + + # Check the non-alchemical system + self._assert_expected_nonalchemical_forces( + complex_setup_output["system_AB"], complexed=True, settings=settings + ) + self._test_orthogonal_vectors(complex_setup_output["system_AB"]) + # Check the box vectors haven't changed (they shouldn't have because we didn't do MD) + assert_allclose( + from_openmm(data["alchem_system"].getDefaultPeriodicBoxVectors()), + from_openmm(complex_setup_output["system_AB"].getDefaultPeriodicBoxVectors()), + ) + + # Check the PDB + pdb = md.load_pdb("alchemical_system.pdb") + assert pdb.n_atoms == self.num_all_not_water + + full_pdb = md.load_pdb("topology.pdb") + assert full_pdb.n_atoms == self.num_complex_atoms + + def test_solvent_dry_run(self, solvent_setup_units, solvent_run_units, settings, tmpdir): + with tmpdir.as_cwd(): + solv_setup_output = solvent_setup_units[0].run(dry=True)["debug"] + serialized_topology = solv_setup_output["topology"] + serialized_system = solv_setup_output["system"] + data = solvent_run_units[0].run( + serialized_system, serialized_topology, dry=True + )["debug"] # fmt: skip + + # Check the sampler + self._verify_sampler(data["sampler"], complexed=False, settings=settings) + + # Check the alchemical system + self._assert_expected_alchemical_forces( + data["alchem_system"], complexed=False, settings=settings + ) + self._test_cubic_vectors(data["alchem_system"]) + + # Check the alchemical indices + expected_indices = [i for i in range(self.num_ligand_atoms_A + self.num_ligand_atoms_B)] + assert expected_indices == data["selection_indices"].tolist() + + # Check the non-alchemical system + self._assert_expected_nonalchemical_forces( + solv_setup_output["system_AB"], complexed=False, settings=settings + ) + self._test_cubic_vectors(solv_setup_output["system_AB"]) + + # Check the PDB + pdb = md.load_pdb("alchemical_system.pdb") + assert pdb.n_atoms == (self.num_ligand_atoms_A + self.num_ligand_atoms_B) diff --git a/src/openfe/tests/protocols/test_openmmutils.py b/src/openfe/tests/protocols/test_openmmutils.py index d3838bfdd..bc0da825b 100644 --- a/src/openfe/tests/protocols/test_openmmutils.py +++ b/src/openfe/tests/protocols/test_openmmutils.py @@ -16,8 +16,8 @@ from openff.toolkit.utils.toolkit_registry import ToolkitRegistry from openff.toolkit.utils.toolkits import RDKitToolkitWrapper from openff.units import unit -from openff.units.openmm import ensure_quantity, from_openmm -from openmm import MonteCarloBarostat, NonbondedForce, app +from openff.units.openmm import ensure_quantity, from_openmm, to_openmm +from openmm import MonteCarloBarostat, MonteCarloMembraneBarostat, NonbondedForce, app from openmm import unit as ommunit from openmmtools import multistate from pymbar.utils import ParameterError @@ -206,6 +206,24 @@ def test_multiple_proteins(T4_protein_component): system_validation.validate_protein(state) +def test_membrane_protein_warns_with_non_membrane_barostat(a2a_protein_membrane_component): + state = openfe.ChemicalSystem({"A": a2a_protein_membrane_component}) + with pytest.warns(UserWarning, match="ProteinMembraneComponent"): + system_validation.validate_protein_barostat( + state, + barostat="MonteCarloBarostat", + ) + + +def test_non_membrane_protein_warns_with_membrane_barostat(T4_protein_component): + state = openfe.ChemicalSystem({"A": T4_protein_component}) + with pytest.warns(UserWarning, match="MonteCarloMembraneBarostat"): + system_validation.validate_protein_barostat( + state, + barostat="MonteCarloMembraneBarostat", + ) + + def test_get_components_gas(benzene_modifications): state = openfe.ChemicalSystem( { @@ -424,6 +442,28 @@ def test_system_generator_solv_cache(self, get_settings): # Check cache file assert generator.template_generator._cache == "db.json" + def test_system_generator_membrane(self, get_settings): + ffsets, intsets, thermosets = get_settings + + thermosets.temperature = 320 * unit.kelvin + thermosets.pressure = 1.25 * unit.bar + intsets.barostat = "MonteCarloMembraneBarostat" + intsets.barostat_frequency = 200 * unit.timestep + generator = system_creation.get_system_generator( + ffsets, thermosets, intsets, Path("./db.json"), False + ) + + # Check barostat conditions + assert isinstance(generator.barostat, MonteCarloMembraneBarostat) + + pressure = ensure_quantity(generator.barostat.getDefaultPressure(), "openff") + temperature = ensure_quantity(generator.barostat.getDefaultTemperature(), "openff") + assert pressure.m == pytest.approx(1.25) + assert pressure.units == unit.bar + assert temperature.m == pytest.approx(320) + assert temperature.units == unit.kelvin + assert generator.barostat.getFrequency() == 200 + def test_get_omm_modeller_complex( self, T4_protein_component, @@ -456,6 +496,39 @@ def test_get_omm_modeller_complex( np.linspace(165, len(resids) - 1, len(resids) - 165), ) + def test_get_omm_modeller_membrane_box( + self, + a2a_protein_membrane_component, + a2a_ligands, + get_settings, + ): + ffsets, intsets, thermosets = get_settings + intsets.barostat = "MonteCarloMembraneBarostat" + ffsets.forcefields = [ + "amber/ff14SB.xml", + "amber/tip3p_standard.xml", + "amber/tip3p_HFE_multivalent.xml", + "amber/lipid17_merged.xml", + "amber/phosaa10.xml", + ] + generator = system_creation.get_system_generator(ffsets, thermosets, intsets, None, False) + + smc = a2a_ligands[0] + mol = smc.to_openff() + generator.create_system(mol.to_topology().to_openmm(), molecules=[mol]) + + model, comp_resids = system_creation.get_omm_modeller( + a2a_protein_membrane_component, + None, + {smc: mol}, + generator.forcefield, + OpenMMSolvationSettings(), + ) + box_modeller = model.topology.getPeriodicBoxVectors() + box_protein = a2a_protein_membrane_component.box_vectors + + assert np.allclose(box_modeller, to_openmm(box_protein), atol=1e-6) + @pytest.fixture(scope="module") def ligand_mol_and_generator(self, get_settings): # Create offmol