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Commit a773f1c7 authored by John Chodera (MSKCC)'s avatar John Chodera (MSKCC)
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Add methods to get unmatched residues without forcefield templates.

parent 39120086
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Showing with 1666 additions and 28 deletions
wrappers/python/simtk/openmm/app/forcefield.py
View file @ a773f1c7
......@@ -569,6 +569,89 @@ class ForceField(object):
break
return [template, matches]
def getUnmatchedResidues(self, topology):
"""Return a list of Residue objects from specified topology for which no forcefield templates are available.
Parameters
----------
topology : Topology
The Topology for which to create a System
Returns
-------
unmatched_residues : list of Residue
List of residue templates from `topology` for which no forcefield residue templates are available.
Note that multiple instances of the same residue appearing at different points in the topology may be returned.
This method may be of use in generating missing residue templates or diagnosing parameterization failures.
"""
# Find the template matching each residue, compiling a list of residues for which no templates are available.
unmatched_residues = list() # list of unmatched residues
for chain in topology.chains():
for res in chain.residues():
# Attempt to match one of the existing templates.
[template, matches] = self._getResidueTemplateMatches(res, bondedToAtom)
if matches is None:
# No existing templates match.
unmatched_residues.append(res)
return unmatched_residues
def getUniqueUnmatchedResidues(self, topology):
"""Returns a unique list of Residue objects from specified topology for which no forcefield templates are available.
Parameters
----------
topology : Topology
The Topology for which to create a System
Returns
-------
unmatched_residues : list of Residue
List of residue templates from `topology` for which no forcefield residue templates are available.
Note that only a single instances each missing residue type will be returned.
This method may be of use in generating missing residue templates.
"""
# Get a non-unique list of unmatched residues.
unmatched_residues = self.getUnmatchedResidues(topology)
# Record which atoms are bonded to each other atom
bondedToAtom = []
for atom in topology.atoms():
bondedToAtom.append(set())
for bond in topology.bonds():
bondedToAtom[bond.atom1.index].add(bond.atom2.index)
bondedToAtom[bond.atom2.index].add(bond.atom1.index)
# Generate a unique list of unmatched residues by comparing fingerprints.
unique_unmatched_residues = list()
signatures = set()
for residue in unmatched_residues:
signature = _createResidueSignature([ atom.element for atom in residue.atoms() ])
is_unique = True
if signature in signatures:
# Signature is the same as an existing residue; check connectivity.
template = ForceField._TemplateData(residue.name)
for atom in residue.atoms():
template.atoms.append(ForceField._TemplateAtomData(atom.name, None, atom.element))
for (atom1,atom2) in residue.internal_bonds():
template.addBondByName(atom1.name, atom2.name)
residue_atoms = [ atom for atom in residue.atoms() ]
for (atom1,atom2) in residue.external_bonds():
if atom1 in residue_atoms:
template.addExternalBondByName(atom1.name)
elif atom2 in residue_atoms:
template.addExternalBondByName(atom2.name)
for check_residue in unique_unmatched_residues:
matches = _matchResidue(check_residue, template, bondedToAtom)
if matches is not None:
is_unique = False
if is_unique:
# Residue is unique.
unique_unmatched_residues.append(residue)
signatures.add(signature)
return unique_unmatched_residues
def createSystem(self, topology, nonbondedMethod=NoCutoff, nonbondedCutoff=1.0*unit.nanometer,
constraints=None, rigidWater=True, removeCMMotion=True, hydrogenMass=None, **args):
"""Construct an OpenMM System representing a Topology with this force field.
......
wrappers/python/tests/TestForceField.py
View file @ a773f1c7
......@@ -13,9 +13,9 @@ else:
class TestForceField(unittest.TestCase):
"""Test the ForceField.createSystem() method."""
def setUp(self):
"""Set up the tests by loading the input pdb files and force field
"""Set up the tests by loading the input pdb files and force field
xml files.
"""
......@@ -33,16 +33,16 @@ class TestForceField(unittest.TestCase):
def test_NonbondedMethod(self):
"""Test all five options for the nonbondedMethod parameter."""
methodMap = {NoCutoff:NonbondedForce.NoCutoff,
CutoffNonPeriodic:NonbondedForce.CutoffNonPeriodic,
CutoffPeriodic:NonbondedForce.CutoffPeriodic,
methodMap = {NoCutoff:NonbondedForce.NoCutoff,
CutoffNonPeriodic:NonbondedForce.CutoffNonPeriodic,
CutoffPeriodic:NonbondedForce.CutoffPeriodic,
Ewald:NonbondedForce.Ewald, PME: NonbondedForce.PME}
for method in methodMap:
system = self.forcefield1.createSystem(self.pdb1.topology,
nonbondedMethod=method)
forces = system.getForces()
self.assertTrue(any(isinstance(f, NonbondedForce) and
f.getNonbondedMethod()==methodMap[method]
self.assertTrue(any(isinstance(f, NonbondedForce) and
f.getNonbondedMethod()==methodMap[method]
for f in forces))
def test_DispersionCorrection(self):
......@@ -50,7 +50,7 @@ class TestForceField(unittest.TestCase):
for useDispersionCorrection in [True, False]:
system = self.forcefield1.createSystem(self.pdb1.topology,
nonbondedCutoff=2*nanometer,
nonbondedCutoff=2*nanometer,
useDispersionCorrection=useDispersionCorrection)
for force in system.getForces():
......@@ -62,8 +62,8 @@ class TestForceField(unittest.TestCase):
for method in [CutoffNonPeriodic, CutoffPeriodic, Ewald, PME]:
system = self.forcefield1.createSystem(self.pdb1.topology,
nonbondedMethod=method,
nonbondedCutoff=2*nanometer,
nonbondedMethod=method,
nonbondedCutoff=2*nanometer,
constraints=HBonds)
cutoff_distance = 0.0*nanometer
cutoff_check = 2.0*nanometer
......@@ -81,29 +81,29 @@ class TestForceField(unittest.TestCase):
def test_RigidWaterAndConstraints(self):
"""Test all eight options for the constraints and rigidWater parameters."""
topology = self.pdb1.topology
for constraints_value in [None, HBonds, AllBonds, HAngles]:
for rigidWater_value in [True, False]:
system = self.forcefield1.createSystem(topology,
constraints=constraints_value,
constraints=constraints_value,
rigidWater=rigidWater_value)
validateConstraints(self, topology, system,
validateConstraints(self, topology, system,
constraints_value, rigidWater_value)
def test_ImplicitSolvent(self):
"""Test the four types of implicit solvents using the implicitSolvent
"""Test the four types of implicit solvents using the implicitSolvent
parameter.
"""
topology = self.pdb2.topology
topology = self.pdb2.topology
system = self.forcefield2.createSystem(topology)
forces = system.getForces()
self.assertTrue(any(isinstance(f, GBSAOBCForce) for f in forces))
def test_ImplicitSolventParameters(self):
"""Test that solventDielectric and soluteDielectric are passed correctly
"""Test that solventDielectric and soluteDielectric are passed correctly
for the different types of implicit solvent.
"""
......@@ -121,12 +121,12 @@ class TestForceField(unittest.TestCase):
found_matching_solute_dielectric = True
if isinstance(force, NonbondedForce):
self.assertEqual(force.getReactionFieldDielectric(), 1.0)
self.assertTrue(found_matching_solvent_dielectric and
self.assertTrue(found_matching_solvent_dielectric and
found_matching_solute_dielectric)
def test_HydrogenMass(self):
"""Test that altering the mass of hydrogens works correctly."""
topology = self.pdb1.topology
hydrogenMass = 4*amu
system1 = self.forcefield1.createSystem(topology)
......@@ -138,10 +138,10 @@ class TestForceField(unittest.TestCase):
totalMass1 = sum([system1.getParticleMass(i) for i in range(system1.getNumParticles())]).value_in_unit(amu)
totalMass2 = sum([system2.getParticleMass(i) for i in range(system2.getNumParticles())]).value_in_unit(amu)
self.assertAlmostEqual(totalMass1, totalMass2)
def test_Forces(self):
"""Compute forces and compare them to ones generated with a previous version of OpenMM to ensure they haven't changed."""
pdb = PDBFile('systems/lysozyme-implicit.pdb')
system = self.forcefield2.createSystem(pdb.topology)
integrator = VerletIntegrator(0.001)
......@@ -156,10 +156,10 @@ class TestForceField(unittest.TestCase):
if diff > 0.1 and diff/norm(f1) > 1e-3:
numDifferences += 1
self.assertTrue(numDifferences < system.getNumParticles()/20) # Tolerate occasional differences from numerical error
def test_ProgrammaticForceField(self):
"""Test building a ForceField programmatically."""
# Build the ForceField for TIP3P programmatically.
ff = ForceField()
ff.registerAtomType({'name':'tip3p-O', 'class':'OW', 'mass':15.99943*daltons, 'element':elem.oxygen})
......@@ -181,11 +181,11 @@ class TestForceField(unittest.TestCase):
nonbonded.registerAtom({'type':'tip3p-O', 'charge':-0.834, 'sigma':0.31507524065751241*nanometers, 'epsilon':0.635968*kilojoules_per_mole})
nonbonded.registerAtom({'type':'tip3p-H', 'charge':0.417, 'sigma':1*nanometers, 'epsilon':0*kilojoules_per_mole})
ff.registerGenerator(nonbonded)
# Build a water box.
modeller = Modeller(Topology(), [])
modeller.addSolvent(ff, boxSize=Vec3(3, 3, 3)*nanometers)
# Create a system using the programmatic force field as well as one from an XML file.
system1 = ff.createSystem(modeller.topology)
ff2 = ForceField('tip3p.xml')
......@@ -347,11 +347,60 @@ class TestForceField(unittest.TestCase):
system = forcefield.createSystem(pdb.topology, nonbondedMethod=test['nonbondedMethod'])
# TODO: Test energies are finite?
def test_getUnmatchedResidues(self):
"""Test retrieval of list of residues for which no templates are available."""
#
# Test where we generate parameters for only a ligand.
#
# Load the PDB file.
pdb = PDBFile(os.path.join('systems', 'T4-lysozyme-L99A-p-xylene-implicit.pdb'))
# Create a ForceField object.
forcefield = ForceField('amber99sb.xml', 'tip3p.xml')
# Get list of unmatched residues.
unmatched_residues = forcefield.getUnmatchedResidues(pdb.topology)
# Check results.
self.assertEqual(len(unmatched_residues), 1)
self.assertEqual(unmatched_residues[0].name, 'TMP')
self.assertEqual(unmatched_residues[0].id, 163)
# Load the PDB file.
pdb = PDBFile(os.path.join('systems', 'ala_ala_ala.pdb'))
# Create a ForceField object.
forcefield = ForceField('tip3p.xml')
# Get list of unmatched residues.
unmatched_residues = forcefield.getUnmatchedResidues(pdb.topology)
# Check results.
self.assertEqual(len(unmatched_residues), 3)
self.assertEqual(unmatched_residues[0].name, 'ALA')
self.assertEqual(unmatched_residues[0].chain, 'X')
self.assertEqual(unmatched_residues[0].id, 1)
def test_getUniqueUnmatchedResidues(self):
"""Test retrieval of list of residues for which no templates are available."""
#
# Test where we generate parameters for only a ligand.
#
# Load the PDB file.
pdb = PDBFile(os.path.join('systems', 'nacl-water.pdb'))
# Create a ForceField object.
forcefield = ForceField('tip3p.xml')
# Get list of unmatched residues.
unmatched_residues = forcefield.getUnmatchedResidues(pdb.topology)
unique_unmatched_residues = forcefield.getUniqueUnmatchedResidues(pdb.topology)
# Check results.
self.assertEqual(len(unmatched_residues), 14)
self.assertEqual(len(unique_unmatched_residues), 2)
unique_names = set([ residue.name for residue in unique_unmatched_residues ])
self.assertTrue('NA' in unique_names)
self.assertTrue('CL' in unique_names)
class AmoebaTestForceField(unittest.TestCase):
"""Test the ForceField.createSystem() method with the AMOEBA forcefield."""
def setUp(self):
"""Set up the tests by loading the input pdb files and force field
"""Set up the tests by loading the input pdb files and force field
xml files.
"""
......@@ -436,4 +485,3 @@ class AmoebaTestForceField(unittest.TestCase):
if __name__ == '__main__':
unittest.main()
wrappers/python/tests/systems/nacl-water.pdb 0 → 100644
View file @ a773f1c7
REMARK 1 CREATED WITH OPENMM 7.0, 2016-01-19
CRYST1 25.000 25.000 25.000 90.00 90.00 90.00 P 1 1
ATOM 1 O HOH A 1 16.596 1.080 1.306 1.00 0.00 O
ATOM 2 H1 HOH A 1 16.562 1.974 1.648 1.00 0.00 H
ATOM 3 H2 HOH A 1 16.793 0.538 2.070 1.00 0.00 H
ATOM 4 O HOH A 2 7.011 4.319 16.037 1.00 0.00 O
ATOM 5 H1 HOH A 2 7.065 3.795 16.836 1.00 0.00 H
ATOM 6 H2 HOH A 2 6.105 4.219 15.746 1.00 0.00 H
ATOM 7 O HOH A 3 8.445 13.791 9.156 1.00 0.00 O
ATOM 8 H1 HOH A 3 8.490 12.939 8.723 1.00 0.00 H
ATOM 9 H2 HOH A 3 8.761 14.412 8.499 1.00 0.00 H
ATOM 10 O HOH A 4 19.187 6.046 8.918 1.00 0.00 O
ATOM 11 H1 HOH A 4 18.676 6.801 9.209 1.00 0.00 H
ATOM 12 H2 HOH A 4 20.097 6.338 8.967 1.00 0.00 H
ATOM 13 O HOH A 5 24.445 24.254 24.659 1.00 0.00 O
ATOM 14 H1 HOH A 5 23.862 23.498 24.592 1.00 0.00 H
ATOM 15 H2 HOH A 5 25.318 23.900 24.489 1.00 0.00 H
ATOM 16 O HOH A 6 18.389 19.579 21.073 1.00 0.00 O
ATOM 17 H1 HOH A 6 18.028 18.698 21.173 1.00 0.00 H
ATOM 18 H2 HOH A 6 18.060 19.879 20.226 1.00 0.00 H
ATOM 19 O HOH A 7 2.564 5.276 3.164 1.00 0.00 O
ATOM 20 H1 HOH A 7 1.816 5.292 2.567 1.00 0.00 H
ATOM 21 H2 HOH A 7 3.220 5.831 2.743 1.00 0.00 H
ATOM 22 O HOH A 8 13.487 1.020 20.577 1.00 0.00 O
ATOM 23 H1 HOH A 8 12.746 1.466 20.168 1.00 0.00 H
ATOM 24 H2 HOH A 8 13.774 0.382 19.923 1.00 0.00 H
ATOM 25 O HOH A 9 6.275 6.079 21.755 1.00 0.00 O
ATOM 26 H1 HOH A 9 5.888 5.584 22.477 1.00 0.00 H
ATOM 27 H2 HOH A 9 5.538 6.276 21.177 1.00 0.00 H
ATOM 28 O HOH A 10 21.517 21.136 5.276 1.00 0.00 O
ATOM 29 H1 HOH A 10 21.010 20.707 5.965 1.00 0.00 H
ATOM 30 H2 HOH A 10 21.891 20.415 4.769 1.00 0.00 H
ATOM 31 O HOH A 11 23.731 23.838 18.025 1.00 0.00 O
ATOM 32 H1 HOH A 11 23.117 24.233 18.645 1.00 0.00 H
ATOM 33 H2 HOH A 11 24.313 23.308 18.570 1.00 0.00 H
ATOM 34 O HOH A 12 5.039 2.587 5.502 1.00 0.00 O
ATOM 35 H1 HOH A 12 5.260 2.201 6.349 1.00 0.00 H
ATOM 36 H2 HOH A 12 5.835 2.490 4.979 1.00 0.00 H
ATOM 37 O HOH A 13 9.430 21.987 18.984 1.00 0.00 O
ATOM 38 H1 HOH A 13 8.955 22.501 18.331 1.00 0.00 H
ATOM 39 H2 HOH A 13 10.009 22.618 19.412 1.00 0.00 H
ATOM 40 O HOH A 14 18.156 1.274 21.481 1.00 0.00 O
ATOM 41 H1 HOH A 14 18.408 1.467 22.384 1.00 0.00 H
ATOM 42 H2 HOH A 14 17.254 1.587 21.412 1.00 0.00 H
ATOM 43 O HOH A 15 5.667 8.797 13.119 1.00 0.00 O
ATOM 44 H1 HOH A 15 5.253 9.528 12.661 1.00 0.00 H
ATOM 45 H2 HOH A 15 6.082 8.284 12.426 1.00 0.00 H
ATOM 46 O HOH A 16 22.977 3.644 19.142 1.00 0.00 O
ATOM 47 H1 HOH A 16 23.635 3.337 19.766 1.00 0.00 H
ATOM 48 H2 HOH A 16 22.144 3.540 19.601 1.00 0.00 H
ATOM 49 O HOH A 17 14.869 8.117 16.181 1.00 0.00 O
ATOM 50 H1 HOH A 17 15.728 8.520 16.306 1.00 0.00 H
ATOM 51 H2 HOH A 17 14.851 7.392 16.806 1.00 0.00 H
ATOM 52 O HOH A 18 5.391 1.876 23.212 1.00 0.00 O
ATOM 53 H1 HOH A 18 4.729 2.026 22.538 1.00 0.00 H
ATOM 54 H2 HOH A 18 5.384 0.929 23.349 1.00 0.00 H
ATOM 55 O HOH A 19 0.737 2.260 13.307 1.00 0.00 O
ATOM 56 H1 HOH A 19 0.633 1.345 13.045 1.00 0.00 H
ATOM 57 H2 HOH A 19 0.017 2.716 12.872 1.00 0.00 H
ATOM 58 O HOH A 20 4.543 9.833 0.860 1.00 0.00 O
ATOM 59 H1 HOH A 20 5.069 10.627 0.958 1.00 0.00 H
ATOM 60 H2 HOH A 20 5.185 9.136 0.720 1.00 0.00 H
ATOM 61 O HOH A 21 24.380 10.555 20.949 1.00 0.00 O
ATOM 62 H1 HOH A 21 24.270 11.444 20.612 1.00 0.00 H
ATOM 63 H2 HOH A 21 24.770 10.070 20.222 1.00 0.00 H
ATOM 64 O HOH A 22 14.119 20.437 17.843 1.00 0.00 O
ATOM 65 H1 HOH A 22 14.073 19.813 17.118 1.00 0.00 H
ATOM 66 H2 HOH A 22 15.057 20.554 17.999 1.00 0.00 H
ATOM 67 O HOH A 23 16.844 14.255 4.221 1.00 0.00 O
ATOM 68 H1 HOH A 23 15.935 14.202 3.926 1.00 0.00 H
ATOM 69 H2 HOH A 23 17.323 14.593 3.465 1.00 0.00 H
ATOM 70 O HOH A 24 23.447 14.651 5.644 1.00 0.00 O
ATOM 71 H1 HOH A 24 23.390 15.566 5.367 1.00 0.00 H
ATOM 72 H2 HOH A 24 23.999 14.672 6.426 1.00 0.00 H
ATOM 73 O HOH A 25 2.694 13.361 21.442 1.00 0.00 O
ATOM 74 H1 HOH A 25 2.637 14.143 20.893 1.00 0.00 H
ATOM 75 H2 HOH A 25 2.962 12.665 20.842 1.00 0.00 H
ATOM 76 Na NA A 26 2.814 1.511 0.673 1.00 0.00 Na
ATOM 77 Du NA A 26 2.792 0.801 0.066 1.00 0.00 H
ATOM 78 Du NA A 26 2.038 1.594 24.683 1.00 0.00 H
ATOM 79 O HOH A 27 21.018 18.924 15.959 1.00 0.00 O
ATOM 80 H1 HOH A 27 21.617 19.621 15.691 1.00 0.00 H
ATOM 81 H2 HOH A 27 20.415 19.347 16.571 1.00 0.00 H
ATOM 82 O HOH A 28 11.868 22.015 4.807 1.00 0.00 O
ATOM 83 H1 HOH A 28 11.683 21.120 5.091 1.00 0.00 H
ATOM 84 H2 HOH A 28 11.917 22.520 5.619 1.00 0.00 H
ATOM 85 O HOH A 29 20.297 1.359 19.669 1.00 0.00 O
ATOM 86 H1 HOH A 29 19.509 1.241 20.200 1.00 0.00 H
ATOM 87 H2 HOH A 29 20.824 0.579 19.845 1.00 0.00 H
ATOM 88 O HOH A 30 21.642 15.337 24.728 1.00 0.00 O
ATOM 89 H1 HOH A 30 21.500 16.109 24.180 1.00 0.00 H
ATOM 90 H2 HOH A 30 22.253 15.631 25.403 1.00 0.00 H
ATOM 91 O HOH A 31 3.352 1.398 21.530 1.00 0.00 O
ATOM 92 H1 HOH A 31 2.591 1.838 21.150 1.00 0.00 H
ATOM 93 H2 HOH A 31 3.077 0.486 21.627 1.00 0.00 H
ATOM 94 O HOH A 32 20.223 4.669 0.032 1.00 0.00 O
ATOM 95 H1 HOH A 32 19.603 5.379 0.196 1.00 0.00 H
ATOM 96 H2 HOH A 32 20.044 4.029 0.720 1.00 0.00 H
ATOM 97 O HOH A 33 9.960 16.132 15.123 1.00 0.00 O
ATOM 98 H1 HOH A 33 9.063 15.881 14.904 1.00 0.00 H
ATOM 99 H2 HOH A 33 10.078 16.987 14.709 1.00 0.00 H
ATOM 100 O HOH A 34 8.728 8.009 2.582 1.00 0.00 O
ATOM 101 H1 HOH A 34 8.386 8.459 3.354 1.00 0.00 H
ATOM 102 H2 HOH A 34 9.386 8.607 2.227 1.00 0.00 H
ATOM 103 O HOH A 35 17.286 16.193 24.899 1.00 0.00 O
ATOM 104 H1 HOH A 35 16.475 16.637 24.652 1.00 0.00 H
ATOM 105 H2 HOH A 35 17.792 16.859 25.365 1.00 0.00 H
ATOM 106 O HOH A 36 23.919 8.376 0.480 1.00 0.00 O
ATOM 107 H1 HOH A 36 23.875 9.137 -0.098 1.00 0.00 H
ATOM 108 H2 HOH A 36 24.853 8.179 0.547 1.00 0.00 H
ATOM 109 O HOH A 37 2.999 16.918 10.880 1.00 0.00 O
ATOM 110 H1 HOH A 37 3.735 17.344 10.442 1.00 0.00 H
ATOM 111 H2 HOH A 37 2.963 16.043 10.495 1.00 0.00 H
ATOM 112 O HOH A 38 2.032 7.038 20.297 1.00 0.00 O
ATOM 113 H1 HOH A 38 1.533 6.239 20.467 1.00 0.00 H
ATOM 114 H2 HOH A 38 1.395 7.642 19.917 1.00 0.00 H
ATOM 115 O HOH A 39 17.546 1.629 18.511 1.00 0.00 O
ATOM 116 H1 HOH A 39 17.549 0.672 18.502 1.00 0.00 H
ATOM 117 H2 HOH A 39 16.727 1.863 18.947 1.00 0.00 H
ATOM 118 O HOH A 40 24.290 17.381 5.705 1.00 0.00 O
ATOM 119 H1 HOH A 40 25.130 17.770 5.950 1.00 0.00 H
ATOM 120 H2 HOH A 40 23.707 17.589 6.435 1.00 0.00 H
ATOM 121 O HOH A 41 15.214 10.708 17.607 1.00 0.00 O
ATOM 122 H1 HOH A 41 14.620 10.005 17.867 1.00 0.00 H
ATOM 123 H2 HOH A 41 16.014 10.258 17.334 1.00 0.00 H
ATOM 124 O HOH A 42 21.822 18.606 0.977 1.00 0.00 O
ATOM 125 H1 HOH A 42 21.499 17.927 1.569 1.00 0.00 H
ATOM 126 H2 HOH A 42 21.553 18.314 0.106 1.00 0.00 H
ATOM 127 O HOH A 43 18.980 6.609 1.625 1.00 0.00 O
ATOM 128 H1 HOH A 43 18.291 6.559 2.287 1.00 0.00 H
ATOM 129 H2 HOH A 43 19.548 7.319 1.923 1.00 0.00 H
ATOM 130 O HOH A 44 0.164 17.382 0.494 1.00 0.00 O
ATOM 131 H1 HOH A 44 0.955 16.843 0.496 1.00 0.00 H
ATOM 132 H2 HOH A 44 -0.260 17.190 1.331 1.00 0.00 H
ATOM 133 Na NA A 45 23.446 3.131 24.301 1.00 0.00 Na
ATOM 134 Du NA A 45 22.533 2.184 23.517 1.00 0.00 H
ATOM 135 Du NA A 45 23.599 4.206 24.781 1.00 0.00 H
ATOM 136 O HOH A 46 23.998 21.229 21.928 1.00 0.00 O
ATOM 137 H1 HOH A 46 24.007 20.581 22.632 1.00 0.00 H
ATOM 138 H2 HOH A 46 23.181 21.711 22.055 1.00 0.00 H
ATOM 139 O HOH A 47 3.227 6.035 16.932 1.00 0.00 O
ATOM 140 H1 HOH A 47 3.687 5.499 16.286 1.00 0.00 H
ATOM 141 H2 HOH A 47 3.412 5.612 17.771 1.00 0.00 H
ATOM 142 O HOH A 48 18.749 13.532 17.093 1.00 0.00 O
ATOM 143 H1 HOH A 48 19.380 13.119 17.682 1.00 0.00 H
ATOM 144 H2 HOH A 48 18.606 14.402 17.465 1.00 0.00 H
ATOM 145 O HOH A 49 21.998 21.234 19.164 1.00 0.00 O
ATOM 146 H1 HOH A 49 22.373 20.878 19.970 1.00 0.00 H
ATOM 147 H2 HOH A 49 22.022 22.183 19.287 1.00 0.00 H
ATOM 148 O HOH A 50 23.583 6.003 3.286 1.00 0.00 O
ATOM 149 H1 HOH A 50 24.311 5.890 2.675 1.00 0.00 H
ATOM 150 H2 HOH A 50 22.938 5.350 3.014 1.00 0.00 H
ATOM 151 O HOH A 51 21.496 22.429 22.491 1.00 0.00 O
ATOM 152 H1 HOH A 51 22.298 22.752 22.903 1.00 0.00 H
ATOM 153 H2 HOH A 51 20.872 22.346 23.212 1.00 0.00 H
ATOM 154 O HOH A 52 21.323 10.613 18.326 1.00 0.00 O
ATOM 155 H1 HOH A 52 21.349 10.430 19.265 1.00 0.00 H
ATOM 156 H2 HOH A 52 22.226 10.833 18.099 1.00 0.00 H
ATOM 157 O HOH A 53 -0.179 15.628 19.160 1.00 0.00 O
ATOM 158 H1 HOH A 53 0.131 15.728 20.060 1.00 0.00 H
ATOM 159 H2 HOH A 53 0.221 14.813 18.858 1.00 0.00 H
ATOM 160 O HOH A 54 15.179 22.794 3.490 1.00 0.00 O
ATOM 161 H1 HOH A 54 14.318 23.142 3.256 1.00 0.00 H
ATOM 162 H2 HOH A 54 15.003 22.174 4.198 1.00 0.00 H
ATOM 163 O HOH A 55 16.491 18.438 6.039 1.00 0.00 O
ATOM 164 H1 HOH A 55 17.043 17.676 5.865 1.00 0.00 H
ATOM 165 H2 HOH A 55 15.654 18.228 5.624 1.00 0.00 H
ATOM 166 O HOH A 56 19.913 17.998 23.167 1.00 0.00 O
ATOM 167 H1 HOH A 56 19.212 18.267 22.573 1.00 0.00 H
ATOM 168 H2 HOH A 56 20.347 17.275 22.714 1.00 0.00 H
ATOM 169 O HOH A 57 17.043 16.988 21.143 1.00 0.00 O
ATOM 170 H1 HOH A 57 16.373 16.633 21.727 1.00 0.00 H
ATOM 171 H2 HOH A 57 17.065 16.379 20.405 1.00 0.00 H
ATOM 172 O HOH A 58 5.757 23.695 23.621 1.00 0.00 O
ATOM 173 H1 HOH A 58 6.651 23.675 23.279 1.00 0.00 H
ATOM 174 H2 HOH A 58 5.219 23.352 22.906 1.00 0.00 H
ATOM 175 O HOH A 59 0.138 15.466 15.282 1.00 0.00 O
ATOM 176 H1 HOH A 59 -0.068 15.734 14.386 1.00 0.00 H
ATOM 177 H2 HOH A 59 0.783 16.107 15.582 1.00 0.00 H
ATOM 178 O HOH A 60 16.510 22.520 6.765 1.00 0.00 O
ATOM 179 H1 HOH A 60 17.112 21.929 6.314 1.00 0.00 H
ATOM 180 H2 HOH A 60 16.846 23.396 6.575 1.00 0.00 H
ATOM 181 O HOH A 61 1.091 22.219 15.552 1.00 0.00 O
ATOM 182 H1 HOH A 61 1.509 21.408 15.843 1.00 0.00 H
ATOM 183 H2 HOH A 61 1.703 22.909 15.808 1.00 0.00 H
ATOM 184 O HOH A 62 23.136 23.747 13.105 1.00 0.00 O
ATOM 185 H1 HOH A 62 23.130 24.394 12.400 1.00 0.00 H
ATOM 186 H2 HOH A 62 23.497 24.215 13.858 1.00 0.00 H
ATOM 187 O HOH A 63 3.129 19.185 21.407 1.00 0.00 O
ATOM 188 H1 HOH A 63 3.124 18.993 22.345 1.00 0.00 H
ATOM 189 H2 HOH A 63 4.047 19.101 21.150 1.00 0.00 H
ATOM 190 O HOH A 64 3.768 7.707 22.245 1.00 0.00 O
ATOM 191 H1 HOH A 64 3.685 7.442 21.329 1.00 0.00 H
ATOM 192 H2 HOH A 64 2.942 7.440 22.648 1.00 0.00 H
ATOM 193 O HOH A 65 6.310 7.201 1.087 1.00 0.00 O
ATOM 194 H1 HOH A 65 7.003 7.665 1.556 1.00 0.00 H
ATOM 195 H2 HOH A 65 6.215 7.680 0.263 1.00 0.00 H
ATOM 196 O HOH A 66 19.957 2.443 1.553 1.00 0.00 O
ATOM 197 H1 HOH A 66 19.064 2.321 1.875 1.00 0.00 H
ATOM 198 H2 HOH A 66 20.337 1.564 1.558 1.00 0.00 H
ATOM 199 O HOH A 67 9.599 24.530 21.313 1.00 0.00 O
ATOM 200 H1 HOH A 67 9.677 25.469 21.146 1.00 0.00 H
ATOM 201 H2 HOH A 67 10.314 24.137 20.812 1.00 0.00 H
ATOM 202 O HOH A 68 14.204 14.391 25.021 1.00 0.00 O
ATOM 203 H1 HOH A 68 13.875 13.764 24.376 1.00 0.00 H
ATOM 204 H2 HOH A 68 14.392 15.181 24.514 1.00 0.00 H
ATOM 205 O HOH A 69 22.608 0.932 8.114 1.00 0.00 O
ATOM 206 H1 HOH A 69 22.403 0.017 8.305 1.00 0.00 H
ATOM 207 H2 HOH A 69 22.497 1.009 7.166 1.00 0.00 H
ATOM 208 O HOH A 70 0.253 0.603 1.719 1.00 0.00 O
ATOM 209 H1 HOH A 70 -0.172 0.248 0.938 1.00 0.00 H
ATOM 210 H2 HOH A 70 0.556 -0.168 2.198 1.00 0.00 H
ATOM 211 O HOH A 71 22.640 20.912 15.467 1.00 0.00 O
ATOM 212 H1 HOH A 71 23.210 21.009 14.704 1.00 0.00 H
ATOM 213 H2 HOH A 71 23.206 21.103 16.215 1.00 0.00 H
ATOM 214 O HOH A 72 17.042 3.059 10.530 1.00 0.00 O
ATOM 215 H1 HOH A 72 16.734 3.765 9.963 1.00 0.00 H
ATOM 216 H2 HOH A 72 17.880 3.374 10.870 1.00 0.00 H
ATOM 217 O HOH A 73 15.628 4.069 1.764 1.00 0.00 O
ATOM 218 H1 HOH A 73 15.985 4.920 2.016 1.00 0.00 H
ATOM 219 H2 HOH A 73 14.717 4.250 1.533 1.00 0.00 H
ATOM 220 O HOH A 74 22.331 14.179 21.865 1.00 0.00 O
ATOM 221 H1 HOH A 74 23.230 14.434 21.657 1.00 0.00 H
ATOM 222 H2 HOH A 74 22.239 14.361 22.800 1.00 0.00 H
ATOM 223 O HOH A 75 0.083 21.945 19.390 1.00 0.00 O
ATOM 224 H1 HOH A 75 0.694 21.363 18.938 1.00 0.00 H
ATOM 225 H2 HOH A 75 -0.195 21.449 20.160 1.00 0.00 H
ATOM 226 O HOH A 76 8.038 2.039 23.350 1.00 0.00 O
ATOM 227 H1 HOH A 76 7.705 2.450 24.148 1.00 0.00 H
ATOM 228 H2 HOH A 76 7.254 1.748 22.885 1.00 0.00 H
ATOM 229 O HOH A 77 17.661 24.754 5.574 1.00 0.00 O
ATOM 230 H1 HOH A 77 18.516 24.384 5.354 1.00 0.00 H
ATOM 231 H2 HOH A 77 17.236 24.899 4.729 1.00 0.00 H
ATOM 232 O HOH A 78 17.094 19.719 8.533 1.00 0.00 O
ATOM 233 H1 HOH A 78 16.764 19.385 7.699 1.00 0.00 H
ATOM 234 H2 HOH A 78 17.586 20.506 8.299 1.00 0.00 H
ATOM 235 O HOH A 79 4.360 21.549 9.418 1.00 0.00 O
ATOM 236 H1 HOH A 79 3.464 21.438 9.102 1.00 0.00 H
ATOM 237 H2 HOH A 79 4.602 20.689 9.762 1.00 0.00 H
ATOM 238 O HOH A 80 4.787 13.920 4.797 1.00 0.00 O
ATOM 239 H1 HOH A 80 4.594 14.627 5.412 1.00 0.00 H
ATOM 240 H2 HOH A 80 4.422 13.137 5.208 1.00 0.00 H
ATOM 241 O HOH A 81 16.828 12.139 0.545 1.00 0.00 O
ATOM 242 H1 HOH A 81 17.173 12.292 -0.334 1.00 0.00 H
ATOM 243 H2 HOH A 81 16.917 12.982 0.989 1.00 0.00 H
ATOM 244 O HOH A 82 18.543 2.395 24.070 1.00 0.00 O
ATOM 245 H1 HOH A 82 17.850 3.055 24.031 1.00 0.00 H
ATOM 246 H2 HOH A 82 18.586 2.146 24.993 1.00 0.00 H
ATOM 247 O HOH A 83 0.902 3.574 21.037 1.00 0.00 O
ATOM 248 H1 HOH A 83 1.555 3.330 20.381 1.00 0.00 H
ATOM 249 H2 HOH A 83 0.600 4.441 20.765 1.00 0.00 H
ATOM 250 O HOH A 84 20.966 16.570 20.973 1.00 0.00 O
ATOM 251 H1 HOH A 84 21.495 17.144 20.420 1.00 0.00 H
ATOM 252 H2 HOH A 84 21.558 15.859 21.217 1.00 0.00 H
ATOM 253 O HOH A 85 16.719 20.673 19.140 1.00 0.00 O
ATOM 254 H1 HOH A 85 15.970 20.964 19.661 1.00 0.00 H
ATOM 255 H2 HOH A 85 17.017 21.463 18.688 1.00 0.00 H
ATOM 256 O HOH A 86 8.256 20.627 5.218 1.00 0.00 O
ATOM 257 H1 HOH A 86 7.769 20.958 5.973 1.00 0.00 H
ATOM 258 H2 HOH A 86 8.766 21.378 4.914 1.00 0.00 H
ATOM 259 O HOH A 87 20.220 3.036 13.314 1.00 0.00 O
ATOM 260 H1 HOH A 87 20.573 2.547 14.057 1.00 0.00 H
ATOM 261 H2 HOH A 87 20.940 3.602 13.035 1.00 0.00 H
ATOM 262 O HOH A 88 22.303 15.321 18.107 1.00 0.00 O
ATOM 263 H1 HOH A 88 22.945 15.089 18.778 1.00 0.00 H
ATOM 264 H2 HOH A 88 22.775 15.907 17.515 1.00 0.00 H
ATOM 265 O HOH A 89 21.586 3.888 3.005 1.00 0.00 O
ATOM 266 H1 HOH A 89 21.678 3.438 3.844 1.00 0.00 H
ATOM 267 H2 HOH A 89 21.044 3.302 2.476 1.00 0.00 H
ATOM 268 O HOH A 90 12.446 23.050 9.839 1.00 0.00 O
ATOM 269 H1 HOH A 90 11.911 22.652 10.526 1.00 0.00 H
ATOM 270 H2 HOH A 90 12.028 23.894 9.668 1.00 0.00 H
ATOM 271 O HOH A 91 0.376 18.615 8.267 1.00 0.00 O
ATOM 272 H1 HOH A 91 1.017 19.324 8.206 1.00 0.00 H
ATOM 273 H2 HOH A 91 0.640 18.118 9.041 1.00 0.00 H
ATOM 274 O HOH A 92 7.287 4.588 19.167 1.00 0.00 O
ATOM 275 H1 HOH A 92 7.101 5.309 18.565 1.00 0.00 H
ATOM 276 H2 HOH A 92 6.546 4.585 19.773 1.00 0.00 H
ATOM 277 O HOH A 93 12.397 3.284 22.660 1.00 0.00 O
ATOM 278 H1 HOH A 93 12.794 2.418 22.752 1.00 0.00 H
ATOM 279 H2 HOH A 93 12.547 3.521 21.745 1.00 0.00 H
ATOM 280 O HOH A 94 18.202 24.159 24.772 1.00 0.00 O
ATOM 281 H1 HOH A 94 17.638 24.578 25.423 1.00 0.00 H
ATOM 282 H2 HOH A 94 19.013 24.667 24.794 1.00 0.00 H
ATOM 283 O HOH A 95 2.917 20.575 1.063 1.00 0.00 O
ATOM 284 H1 HOH A 95 3.006 19.650 0.835 1.00 0.00 H
ATOM 285 H2 HOH A 95 3.813 20.867 1.234 1.00 0.00 H
ATOM 286 O HOH A 96 14.897 0.922 24.092 1.00 0.00 O
ATOM 287 H1 HOH A 96 15.262 1.142 24.949 1.00 0.00 H
ATOM 288 H2 HOH A 96 14.743 1.768 23.672 1.00 0.00 H
ATOM 289 O HOH A 97 16.573 23.458 22.657 1.00 0.00 O
ATOM 290 H1 HOH A 97 15.811 24.036 22.706 1.00 0.00 H
ATOM 291 H2 HOH A 97 16.982 23.528 23.519 1.00 0.00 H
ATOM 292 Cl CL A 98 15.035 14.660 22.009 1.00 0.00 Cl
ATOM 293 Du CL A 98 14.444 15.658 21.799 1.00 0.00 H
ATOM 294 Du CL A 98 13.810 14.569 21.469 1.00 0.00 H
ATOM 295 O HOH A 99 15.525 3.753 24.062 1.00 0.00 O
ATOM 296 H1 HOH A 99 15.523 3.809 25.018 1.00 0.00 H
ATOM 297 H2 HOH A 99 15.236 4.618 23.770 1.00 0.00 H
ATOM 298 O HOH A 100 0.053 1.699 4.320 1.00 0.00 O
ATOM 299 H1 HOH A 100 0.257 1.400 3.434 1.00 0.00 H
ATOM 300 H2 HOH A 100 0.685 2.398 4.489 1.00 0.00 H
ATOM 301 O HOH A 101 21.978 3.650 16.381 1.00 0.00 O
ATOM 302 H1 HOH A 101 22.583 3.343 17.056 1.00 0.00 H
ATOM 303 H2 HOH A 101 22.419 4.405 15.990 1.00 0.00 H
ATOM 304 O HOH A 102 20.598 5.621 4.943 1.00 0.00 O
ATOM 305 H1 HOH A 102 20.359 4.808 5.388 1.00 0.00 H
ATOM 306 H2 HOH A 102 20.894 5.343 4.077 1.00 0.00 H
ATOM 307 O HOH A 103 20.317 13.588 1.483 1.00 0.00 O
ATOM 308 H1 HOH A 103 20.676 14.351 1.029 1.00 0.00 H
ATOM 309 H2 HOH A 103 20.982 13.362 2.134 1.00 0.00 H
ATOM 310 O HOH A 104 24.700 10.924 16.398 1.00 0.00 O
ATOM 311 H1 HOH A 104 24.214 10.685 15.609 1.00 0.00 H
ATOM 312 H2 HOH A 104 25.616 10.939 16.120 1.00 0.00 H
ATOM 313 O HOH A 105 14.564 9.684 5.500 1.00 0.00 O
ATOM 314 H1 HOH A 105 14.993 9.304 4.734 1.00 0.00 H
ATOM 315 H2 HOH A 105 15.158 10.377 5.789 1.00 0.00 H
ATOM 316 O HOH A 106 6.594 20.961 18.619 1.00 0.00 O
ATOM 317 H1 HOH A 106 7.550 20.928 18.580 1.00 0.00 H
ATOM 318 H2 HOH A 106 6.322 20.043 18.640 1.00 0.00 H
ATOM 319 O HOH A 107 18.329 3.717 16.889 1.00 0.00 O
ATOM 320 H1 HOH A 107 19.255 3.530 16.735 1.00 0.00 H
ATOM 321 H2 HOH A 107 18.087 3.147 17.619 1.00 0.00 H
ATOM 322 O HOH A 108 3.037 24.009 16.390 1.00 0.00 O
ATOM 323 H1 HOH A 108 3.886 23.614 16.590 1.00 0.00 H
ATOM 324 H2 HOH A 108 2.833 24.542 17.159 1.00 0.00 H
ATOM 325 O HOH A 109 1.080 2.490 23.813 1.00 0.00 O
ATOM 326 H1 HOH A 109 0.512 1.720 23.809 1.00 0.00 H
ATOM 327 H2 HOH A 109 1.370 2.579 22.905 1.00 0.00 H
ATOM 328 O HOH A 110 19.266 22.722 4.383 1.00 0.00 O
ATOM 329 H1 HOH A 110 20.206 22.566 4.470 1.00 0.00 H
ATOM 330 H2 HOH A 110 18.858 22.009 4.873 1.00 0.00 H
ATOM 331 O HOH A 111 21.620 7.423 9.498 1.00 0.00 O
ATOM 332 H1 HOH A 111 22.430 6.928 9.372 1.00 0.00 H
ATOM 333 H2 HOH A 111 21.907 8.273 9.830 1.00 0.00 H
ATOM 334 O HOH A 112 21.319 7.960 14.131 1.00 0.00 O
ATOM 335 H1 HOH A 112 20.666 7.402 14.553 1.00 0.00 H
ATOM 336 H2 HOH A 112 20.820 8.706 13.799 1.00 0.00 H
ATOM 337 O HOH A 113 0.947 13.182 17.581 1.00 0.00 O
ATOM 338 H1 HOH A 113 1.778 13.048 18.037 1.00 0.00 H
ATOM 339 H2 HOH A 113 1.093 12.826 16.705 1.00 0.00 H
ATOM 340 O HOH A 114 20.555 4.762 22.159 1.00 0.00 O
ATOM 341 H1 HOH A 114 20.602 5.689 21.926 1.00 0.00 H
ATOM 342 H2 HOH A 114 19.946 4.731 22.898 1.00 0.00 H
ATOM 343 O HOH A 115 24.369 21.398 13.495 1.00 0.00 O
ATOM 344 H1 HOH A 115 23.868 22.179 13.261 1.00 0.00 H
ATOM 345 H2 HOH A 115 24.972 21.695 14.177 1.00 0.00 H
ATOM 346 O HOH A 116 1.494 8.183 7.495 1.00 0.00 O
ATOM 347 H1 HOH A 116 0.677 7.903 7.908 1.00 0.00 H
ATOM 348 H2 HOH A 116 1.448 7.828 6.607 1.00 0.00 H
ATOM 349 O HOH A 117 21.217 2.379 23.042 1.00 0.00 O
ATOM 350 H1 HOH A 117 20.288 2.377 23.274 1.00 0.00 H
ATOM 351 H2 HOH A 117 21.315 3.126 22.452 1.00 0.00 H
ATOM 352 O HOH A 118 2.260 17.580 19.356 1.00 0.00 O
ATOM 353 H1 HOH A 118 2.949 16.917 19.403 1.00 0.00 H
ATOM 354 H2 HOH A 118 2.422 18.148 20.109 1.00 0.00 H
ATOM 355 O HOH A 119 2.432 2.942 4.478 1.00 0.00 O
ATOM 356 H1 HOH A 119 2.558 3.780 4.034 1.00 0.00 H
ATOM 357 H2 HOH A 119 3.270 2.768 4.906 1.00 0.00 H
ATOM 358 O HOH A 120 7.188 23.378 21.333 1.00 0.00 O
ATOM 359 H1 HOH A 120 8.077 23.733 21.353 1.00 0.00 H
ATOM 360 H2 HOH A 120 6.687 24.014 20.823 1.00 0.00 H
ATOM 361 O HOH A 121 1.237 24.531 20.777 1.00 0.00 O
ATOM 362 H1 HOH A 121 0.391 24.959 20.911 1.00 0.00 H
ATOM 363 H2 HOH A 121 1.015 23.641 20.505 1.00 0.00 H
ATOM 364 O HOH A 122 16.890 12.436 21.820 1.00 0.00 O
ATOM 365 H1 HOH A 122 17.556 13.061 22.108 1.00 0.00 H
ATOM 366 H2 HOH A 122 16.073 12.934 21.831 1.00 0.00 H
ATOM 367 O HOH A 123 15.691 2.762 20.511 1.00 0.00 O
ATOM 368 H1 HOH A 123 15.247 2.696 19.666 1.00 0.00 H
ATOM 369 H2 HOH A 123 15.205 2.170 21.085 1.00 0.00 H
ATOM 370 O HOH A 124 0.877 22.679 2.989 1.00 0.00 O
ATOM 371 H1 HOH A 124 1.554 23.275 3.309 1.00 0.00 H
ATOM 372 H2 HOH A 124 1.307 22.177 2.297 1.00 0.00 H
ATOM 373 O HOH A 125 18.644 0.052 8.193 1.00 0.00 O
ATOM 374 H1 HOH A 125 17.894 0.410 7.718 1.00 0.00 H
ATOM 375 H2 HOH A 125 19.280 0.767 8.212 1.00 0.00 H
ATOM 376 O HOH A 126 14.681 15.051 2.491 1.00 0.00 O
ATOM 377 H1 HOH A 126 14.433 14.737 1.621 1.00 0.00 H
ATOM 378 H2 HOH A 126 15.585 15.348 2.390 1.00 0.00 H
ATOM 379 O HOH A 127 7.882 13.871 1.963 1.00 0.00 O
ATOM 380 H1 HOH A 127 8.810 13.640 2.003 1.00 0.00 H
ATOM 381 H2 HOH A 127 7.853 14.793 2.220 1.00 0.00 H
ATOM 382 O HOH A 128 0.499 5.867 17.192 1.00 0.00 O
ATOM 383 H1 HOH A 128 0.540 5.325 17.980 1.00 0.00 H
ATOM 384 H2 HOH A 128 1.414 6.053 16.981 1.00 0.00 H
ATOM 385 Cl CL A 129 23.726 0.735 22.091 1.00 0.00 Cl
ATOM 386 Du CL A 129 23.579 1.218 23.371 1.00 0.00 H
ATOM 387 Du CL A 129 23.414 1.713 22.051 1.00 0.00 H
ATOM 388 O HOH A 130 17.658 4.024 13.680 1.00 0.00 O
ATOM 389 H1 HOH A 130 18.581 3.803 13.804 1.00 0.00 H
ATOM 390 H2 HOH A 130 17.285 3.259 13.241 1.00 0.00 H
ATOM 391 O HOH A 131 18.437 13.994 23.510 1.00 0.00 O
ATOM 392 H1 HOH A 131 18.974 14.675 23.104 1.00 0.00 H
ATOM 393 H2 HOH A 131 17.602 14.424 23.693 1.00 0.00 H
ATOM 394 O HOH A 132 1.624 21.785 22.561 1.00 0.00 O
ATOM 395 H1 HOH A 132 0.747 21.481 22.327 1.00 0.00 H
ATOM 396 H2 HOH A 132 2.216 21.171 22.127 1.00 0.00 H
ATOM 397 O HOH A 133 1.418 3.383 7.681 1.00 0.00 O
ATOM 398 H1 HOH A 133 0.943 2.872 7.026 1.00 0.00 H
ATOM 399 H2 HOH A 133 2.038 3.907 7.174 1.00 0.00 H
ATOM 400 O HOH A 134 5.334 1.385 1.745 1.00 0.00 O
ATOM 401 H1 HOH A 134 4.902 1.893 2.431 1.00 0.00 H
ATOM 402 H2 HOH A 134 6.101 1.006 2.174 1.00 0.00 H
ATOM 403 O HOH A 135 5.353 17.273 12.665 1.00 0.00 O
ATOM 404 H1 HOH A 135 4.410 17.405 12.566 1.00 0.00 H
ATOM 405 H2 HOH A 135 5.469 17.060 13.591 1.00 0.00 H
ATOM 406 O HOH A 136 18.667 24.347 15.515 1.00 0.00 O
ATOM 407 H1 HOH A 136 17.750 24.621 15.527 1.00 0.00 H
ATOM 408 H2 HOH A 136 19.152 25.118 15.810 1.00 0.00 H
ATOM 409 O HOH A 137 8.207 24.431 5.123 1.00 0.00 O
ATOM 410 H1 HOH A 137 8.656 23.709 4.686 1.00 0.00 H
ATOM 411 H2 HOH A 137 8.294 25.169 4.520 1.00 0.00 H
ATOM 412 O HOH A 138 3.692 23.250 22.173 1.00 0.00 O
ATOM 413 H1 HOH A 138 2.880 22.882 22.521 1.00 0.00 H
ATOM 414 H2 HOH A 138 3.895 22.706 21.412 1.00 0.00 H
ATOM 415 O HOH A 139 24.439 24.473 15.549 1.00 0.00 O
ATOM 416 H1 HOH A 139 24.011 24.315 16.390 1.00 0.00 H
ATOM 417 H2 HOH A 139 25.047 23.741 15.447 1.00 0.00 H
ATOM 418 O HOH A 140 22.999 5.569 24.840 1.00 0.00 O
ATOM 419 H1 HOH A 140 22.047 5.549 24.932 1.00 0.00 H
ATOM 420 H2 HOH A 140 23.223 6.500 24.862 1.00 0.00 H
ATOM 421 O HOH A 141 4.290 7.863 3.265 1.00 0.00 O
ATOM 422 H1 HOH A 141 5.072 7.657 3.778 1.00 0.00 H
ATOM 423 H2 HOH A 141 4.132 8.792 3.430 1.00 0.00 H
ATOM 424 O HOH A 142 18.928 16.472 18.979 1.00 0.00 O
ATOM 425 H1 HOH A 142 19.244 16.535 19.881 1.00 0.00 H
ATOM 426 H2 HOH A 142 19.468 17.093 18.491 1.00 0.00 H
ATOM 427 O HOH A 143 5.345 23.063 12.236 1.00 0.00 O
ATOM 428 H1 HOH A 143 4.932 22.425 11.654 1.00 0.00 H
ATOM 429 H2 HOH A 143 6.152 23.312 11.785 1.00 0.00 H
ATOM 430 O HOH A 144 8.665 4.346 13.835 1.00 0.00 O
ATOM 431 H1 HOH A 144 8.893 5.275 13.798 1.00 0.00 H
ATOM 432 H2 HOH A 144 8.301 4.223 14.711 1.00 0.00 H
ATOM 433 Na NA A 145 18.889 21.757 22.197 1.00 0.00 Na
ATOM 434 Du NA A 145 18.110 22.582 22.702 1.00 0.00 H
ATOM 435 Du NA A 145 18.795 21.006 22.225 1.00 0.00 H
ATOM 436 O HOH A 146 5.432 22.688 16.937 1.00 0.00 O
ATOM 437 H1 HOH A 146 6.143 23.319 16.822 1.00 0.00 H
ATOM 438 H2 HOH A 146 5.855 21.917 17.316 1.00 0.00 H
ATOM 439 O HOH A 147 2.124 23.801 25.000 1.00 0.00 O
ATOM 440 H1 HOH A 147 3.048 23.809 25.250 1.00 0.00 H
ATOM 441 H2 HOH A 147 2.054 23.093 24.360 1.00 0.00 H
ATOM 442 O HOH A 148 18.324 6.845 23.019 1.00 0.00 O
ATOM 443 H1 HOH A 148 17.707 7.235 23.638 1.00 0.00 H
ATOM 444 H2 HOH A 148 17.785 6.278 22.468 1.00 0.00 H
ATOM 445 Cl CL A 149 23.042 17.405 23.422 1.00 0.00 Cl
ATOM 446 Du CL A 149 23.279 18.091 22.798 1.00 0.00 H
ATOM 447 Du CL A 149 23.802 17.331 23.999 1.00 0.00 H
ATOM 448 O HOH A 150 20.945 11.007 0.692 1.00 0.00 O
ATOM 449 H1 HOH A 150 21.698 11.342 1.179 1.00 0.00 H
ATOM 450 H2 HOH A 150 20.516 11.789 0.345 1.00 0.00 H
ATOM 451 O HOH A 151 20.551 1.342 16.794 1.00 0.00 O
ATOM 452 H1 HOH A 151 21.249 1.988 16.898 1.00 0.00 H
ATOM 453 H2 HOH A 151 20.152 1.278 17.662 1.00 0.00 H
ATOM 454 O HOH A 152 21.226 7.715 24.195 1.00 0.00 O
ATOM 455 H1 HOH A 152 20.329 7.653 23.868 1.00 0.00 H
ATOM 456 H2 HOH A 152 21.206 8.448 24.811 1.00 0.00 H
ATOM 457 Na NA A 153 5.500 18.286 18.723 1.00 0.00 Na
ATOM 458 Du NA A 153 6.427 18.250 18.491 1.00 0.00 H
ATOM 459 Du NA A 153 5.060 17.788 18.033 1.00 0.00 H
ATOM 460 O HOH A 154 21.941 24.070 20.348 1.00 0.00 O
ATOM 461 H1 HOH A 154 22.473 24.777 20.712 1.00 0.00 H
ATOM 462 H2 HOH A 154 21.580 23.623 21.113 1.00 0.00 H
ATOM 463 O HOH A 155 5.389 23.861 8.542 1.00 0.00 O
ATOM 464 H1 HOH A 155 5.423 23.082 9.098 1.00 0.00 H
ATOM 465 H2 HOH A 155 4.462 24.097 8.517 1.00 0.00 H
ATOM 466 O HOH A 156 3.917 16.179 6.555 1.00 0.00 O
ATOM 467 H1 HOH A 156 4.468 16.952 6.435 1.00 0.00 H
ATOM 468 H2 HOH A 156 3.412 16.365 7.346 1.00 0.00 H
ATOM 469 O HOH A 157 24.087 20.627 10.900 1.00 0.00 O
ATOM 470 H1 HOH A 157 24.322 20.538 11.824 1.00 0.00 H
ATOM 471 H2 HOH A 157 23.647 21.476 10.846 1.00 0.00 H
ATOM 472 O HOH A 158 5.737 21.036 4.614 1.00 0.00 O
ATOM 473 H1 HOH A 158 5.640 21.726 5.269 1.00 0.00 H
ATOM 474 H2 HOH A 158 6.617 20.689 4.759 1.00 0.00 H
ATOM 475 O HOH A 159 20.292 22.347 14.342 1.00 0.00 O
ATOM 476 H1 HOH A 159 21.123 22.155 14.776 1.00 0.00 H
ATOM 477 H2 HOH A 159 19.717 22.645 15.047 1.00 0.00 H
ATOM 478 O HOH A 160 0.999 20.822 5.292 1.00 0.00 O
ATOM 479 H1 HOH A 160 0.217 20.993 5.816 1.00 0.00 H
ATOM 480 H2 HOH A 160 1.088 21.594 4.733 1.00 0.00 H
ATOM 481 O HOH A 161 17.980 22.231 8.936 1.00 0.00 O
ATOM 482 H1 HOH A 161 17.066 22.298 9.213 1.00 0.00 H
ATOM 483 H2 HOH A 161 18.107 22.974 8.346 1.00 0.00 H
ATOM 484 O HOH A 162 3.270 1.117 8.879 1.00 0.00 O
ATOM 485 H1 HOH A 162 2.607 1.805 8.819 1.00 0.00 H
ATOM 486 H2 HOH A 162 3.484 1.071 9.810 1.00 0.00 H
ATOM 487 O HOH A 163 17.730 18.437 16.908 1.00 0.00 O
ATOM 488 H1 HOH A 163 18.322 19.173 17.062 1.00 0.00 H
ATOM 489 H2 HOH A 163 17.001 18.585 17.511 1.00 0.00 H
ATOM 490 O HOH A 164 8.916 8.284 9.072 1.00 0.00 O
ATOM 491 H1 HOH A 164 8.940 9.240 9.123 1.00 0.00 H
ATOM 492 H2 HOH A 164 8.060 8.085 8.692 1.00 0.00 H
ATOM 493 O HOH A 165 3.601 25.246 11.409 1.00 0.00 O
ATOM 494 H1 HOH A 165 4.257 24.606 11.685 1.00 0.00 H
ATOM 495 H2 HOH A 165 2.768 24.879 11.705 1.00 0.00 H
ATOM 496 O HOH A 166 7.822 0.228 8.903 1.00 0.00 O
ATOM 497 H1 HOH A 166 7.178 -0.424 9.180 1.00 0.00 H
ATOM 498 H2 HOH A 166 7.401 0.687 8.176 1.00 0.00 H
ATOM 499 O HOH A 167 10.974 23.779 15.788 1.00 0.00 O
ATOM 500 H1 HOH A 167 10.238 24.389 15.819 1.00 0.00 H
ATOM 501 H2 HOH A 167 11.248 23.780 14.870 1.00 0.00 H
ATOM 502 O HOH A 168 5.800 2.191 8.000 1.00 0.00 O
ATOM 503 H1 HOH A 168 6.274 2.510 8.768 1.00 0.00 H
ATOM 504 H2 HOH A 168 5.000 1.804 8.354 1.00 0.00 H
ATOM 505 O HOH A 169 2.503 2.727 11.026 1.00 0.00 O
ATOM 506 H1 HOH A 169 3.331 3.093 10.715 1.00 0.00 H
ATOM 507 H2 HOH A 169 2.750 1.913 11.464 1.00 0.00 H
ATOM 508 O HOH A 170 7.551 4.981 4.740 1.00 0.00 O
ATOM 509 H1 HOH A 170 8.245 5.393 4.224 1.00 0.00 H
ATOM 510 H2 HOH A 170 8.017 4.462 5.396 1.00 0.00 H
ATOM 511 O HOH A 171 5.221 21.657 1.877 1.00 0.00 O
ATOM 512 H1 HOH A 171 5.742 22.460 1.880 1.00 0.00 H
ATOM 513 H2 HOH A 171 5.462 21.211 2.689 1.00 0.00 H
ATOM 514 O HOH A 172 4.511 16.705 16.186 1.00 0.00 O
ATOM 515 H1 HOH A 172 5.173 16.036 16.355 1.00 0.00 H
ATOM 516 H2 HOH A 172 3.937 16.314 15.527 1.00 0.00 H
ATOM 517 O HOH A 173 24.674 0.658 11.053 1.00 0.00 O
ATOM 518 H1 HOH A 173 25.073 0.617 10.184 1.00 0.00 H
ATOM 519 H2 HOH A 173 24.268 1.524 11.089 1.00 0.00 H
ATOM 520 O HOH A 174 21.889 17.250 4.155 1.00 0.00 O
ATOM 521 H1 HOH A 174 20.987 17.060 3.897 1.00 0.00 H
ATOM 522 H2 HOH A 174 21.896 17.136 5.106 1.00 0.00 H
ATOM 523 O HOH A 175 22.651 22.207 0.101 1.00 0.00 O
ATOM 524 H1 HOH A 175 22.993 21.327 -0.058 1.00 0.00 H
ATOM 525 H2 HOH A 175 22.740 22.332 1.045 1.00 0.00 H
ATOM 526 O HOH A 176 5.350 18.287 6.061 1.00 0.00 O
ATOM 527 H1 HOH A 176 6.083 17.889 5.591 1.00 0.00 H
ATOM 528 H2 HOH A 176 5.409 19.219 5.851 1.00 0.00 H
ATOM 529 O HOH A 177 3.339 6.876 12.206 1.00 0.00 O
ATOM 530 H1 HOH A 177 3.508 6.481 13.061 1.00 0.00 H
ATOM 531 H2 HOH A 177 4.113 6.659 11.685 1.00 0.00 H
ATOM 532 O HOH A 178 24.976 5.368 5.985 1.00 0.00 O
ATOM 533 H1 HOH A 178 24.213 5.394 5.406 1.00 0.00 H
ATOM 534 H2 HOH A 178 25.543 6.070 5.666 1.00 0.00 H
ATOM 535 O HOH A 179 8.977 22.420 1.050 1.00 0.00 O
ATOM 536 H1 HOH A 179 8.123 22.421 0.618 1.00 0.00 H
ATOM 537 H2 HOH A 179 9.528 22.972 0.495 1.00 0.00 H
ATOM 538 O HOH A 180 17.651 11.258 12.558 1.00 0.00 O
ATOM 539 H1 HOH A 180 17.966 11.924 13.169 1.00 0.00 H
ATOM 540 H2 HOH A 180 18.443 10.925 12.138 1.00 0.00 H
ATOM 541 O HOH A 181 15.327 5.896 13.816 1.00 0.00 O
ATOM 542 H1 HOH A 181 15.628 6.778 13.597 1.00 0.00 H
ATOM 543 H2 HOH A 181 15.708 5.337 13.139 1.00 0.00 H
ATOM 544 O HOH A 182 18.109 20.651 5.816 1.00 0.00 O
ATOM 545 H1 HOH A 182 18.835 20.483 6.417 1.00 0.00 H
ATOM 546 H2 HOH A 182 17.753 19.784 5.622 1.00 0.00 H
ATOM 547 O HOH A 183 18.426 18.694 10.701 1.00 0.00 O
ATOM 548 H1 HOH A 183 18.389 17.755 10.887 1.00 0.00 H
ATOM 549 H2 HOH A 183 17.574 18.896 10.316 1.00 0.00 H
ATOM 550 O HOH A 184 16.202 0.319 15.815 1.00 0.00 O
ATOM 551 H1 HOH A 184 15.363 -0.137 15.890 1.00 0.00 H
ATOM 552 H2 HOH A 184 15.973 1.248 15.840 1.00 0.00 H
ATOM 553 O HOH A 185 7.581 16.406 2.434 1.00 0.00 O
ATOM 554 H1 HOH A 185 7.815 17.125 1.848 1.00 0.00 H
ATOM 555 H2 HOH A 185 6.627 16.451 2.501 1.00 0.00 H
ATOM 556 O HOH A 186 21.616 22.655 10.882 1.00 0.00 O
ATOM 557 H1 HOH A 186 21.110 23.359 11.289 1.00 0.00 H
ATOM 558 H2 HOH A 186 21.038 21.893 10.917 1.00 0.00 H
ATOM 559 O HOH A 187 15.253 21.673 0.061 1.00 0.00 O
ATOM 560 H1 HOH A 187 14.616 22.371 0.219 1.00 0.00 H
ATOM 561 H2 HOH A 187 14.857 20.894 0.451 1.00 0.00 H
ATOM 562 Na NA A 188 22.697 14.245 15.857 1.00 0.00 Na
ATOM 563 Du NA A 188 21.883 14.138 15.590 1.00 0.00 H
ATOM 564 Du NA A 188 23.473 13.990 15.032 1.00 0.00 H
ATOM 565 O HOH A 189 1.927 23.372 12.538 1.00 0.00 O
ATOM 566 H1 HOH A 189 0.977 23.417 12.652 1.00 0.00 H
ATOM 567 H2 HOH A 189 2.105 22.446 12.372 1.00 0.00 H
ATOM 568 O HOH A 190 17.516 23.963 2.726 1.00 0.00 O
ATOM 569 H1 HOH A 190 16.655 23.573 2.881 1.00 0.00 H
ATOM 570 H2 HOH A 190 18.086 23.552 3.376 1.00 0.00 H
ATOM 571 O HOH A 191 3.898 5.343 6.222 1.00 0.00 O
ATOM 572 H1 HOH A 191 3.615 5.757 5.407 1.00 0.00 H
ATOM 573 H2 HOH A 191 4.437 4.603 5.941 1.00 0.00 H
ATOM 574 O HOH A 192 23.681 14.096 9.970 1.00 0.00 O
ATOM 575 H1 HOH A 192 24.183 13.540 10.567 1.00 0.00 H
ATOM 576 H2 HOH A 192 23.985 13.846 9.097 1.00 0.00 H
ATOM 577 O HOH A 193 16.884 14.613 10.156 1.00 0.00 O
ATOM 578 H1 HOH A 193 17.371 15.312 10.593 1.00 0.00 H
ATOM 579 H2 HOH A 193 16.180 15.065 9.691 1.00 0.00 H
ATOM 580 O HOH A 194 20.311 4.190 19.493 1.00 0.00 O
ATOM 581 H1 HOH A 194 20.226 3.272 19.235 1.00 0.00 H
ATOM 582 H2 HOH A 194 20.255 4.177 20.449 1.00 0.00 H
ATOM 583 O HOH A 195 0.290 24.729 6.515 1.00 0.00 O
ATOM 584 H1 HOH A 195 -0.258 23.968 6.327 1.00 0.00 H
ATOM 585 H2 HOH A 195 0.097 25.345 5.808 1.00 0.00 H
ATOM 586 O HOH A 196 19.919 20.703 10.173 1.00 0.00 O
ATOM 587 H1 HOH A 196 19.527 19.850 10.358 1.00 0.00 H
ATOM 588 H2 HOH A 196 19.278 21.146 9.616 1.00 0.00 H
ATOM 589 O HOH A 197 6.195 15.990 9.869 1.00 0.00 O
ATOM 590 H1 HOH A 197 6.695 15.347 10.373 1.00 0.00 H
ATOM 591 H2 HOH A 197 6.814 16.316 9.215 1.00 0.00 H
ATOM 592 O HOH A 198 0.701 1.720 15.899 1.00 0.00 O
ATOM 593 H1 HOH A 198 0.782 2.100 15.024 1.00 0.00 H
ATOM 594 H2 HOH A 198 0.427 0.816 15.743 1.00 0.00 H
ATOM 595 O HOH A 199 2.257 14.229 11.779 1.00 0.00 O
ATOM 596 H1 HOH A 199 2.124 13.449 12.318 1.00 0.00 H
ATOM 597 H2 HOH A 199 1.374 14.549 11.599 1.00 0.00 H
ATOM 598 O HOH A 200 21.758 23.246 8.395 1.00 0.00 O
ATOM 599 H1 HOH A 200 20.849 22.985 8.247 1.00 0.00 H
ATOM 600 H2 HOH A 200 21.937 22.993 9.300 1.00 0.00 H
ATOM 601 O HOH A 201 20.696 4.630 11.080 1.00 0.00 O
ATOM 602 H1 HOH A 201 21.234 4.704 11.869 1.00 0.00 H
ATOM 603 H2 HOH A 201 20.330 5.506 10.956 1.00 0.00 H
ATOM 604 O HOH A 202 19.720 20.423 17.949 1.00 0.00 O
ATOM 605 H1 HOH A 202 19.108 21.097 17.653 1.00 0.00 H
ATOM 606 H2 HOH A 202 20.436 20.911 18.357 1.00 0.00 H
ATOM 607 O HOH A 203 8.561 21.893 14.615 1.00 0.00 O
ATOM 608 H1 HOH A 203 8.909 21.363 15.332 1.00 0.00 H
ATOM 609 H2 HOH A 203 9.128 21.692 13.871 1.00 0.00 H
ATOM 610 O HOH A 204 17.476 6.294 18.870 1.00 0.00 O
ATOM 611 H1 HOH A 204 17.582 7.237 18.996 1.00 0.00 H
ATOM 612 H2 HOH A 204 18.148 6.060 18.231 1.00 0.00 H
ATOM 613 O HOH A 205 19.425 17.074 2.962 1.00 0.00 O
ATOM 614 H1 HOH A 205 19.176 17.859 2.475 1.00 0.00 H
ATOM 615 H2 HOH A 205 18.745 16.978 3.628 1.00 0.00 H
ATOM 616 Cl CL A 206 3.783 4.223 19.417 1.00 0.00 Cl
ATOM 617 Du CL A 206 3.136 3.842 18.697 1.00 0.00 H
ATOM 618 Du CL A 206 3.196 4.116 19.668 1.00 0.00 H
ATOM 619 O HOH A 207 2.798 12.775 0.790 1.00 0.00 O
ATOM 620 H1 HOH A 207 3.488 12.125 0.924 1.00 0.00 H
ATOM 621 H2 HOH A 207 2.764 13.261 1.614 1.00 0.00 H
ATOM 622 O HOH A 208 11.438 6.905 8.862 1.00 0.00 O
ATOM 623 H1 HOH A 208 11.522 6.134 9.423 1.00 0.00 H
ATOM 624 H2 HOH A 208 10.529 7.184 8.973 1.00 0.00 H
ATOM 625 O HOH A 209 1.688 5.642 23.117 1.00 0.00 O
ATOM 626 H1 HOH A 209 1.999 5.653 24.022 1.00 0.00 H
ATOM 627 H2 HOH A 209 1.823 4.740 22.828 1.00 0.00 H
ATOM 628 O HOH A 210 17.077 0.318 10.864 1.00 0.00 O
ATOM 629 H1 HOH A 210 17.069 1.273 10.803 1.00 0.00 H
ATOM 630 H2 HOH A 210 17.338 0.024 9.991 1.00 0.00 H
ATOM 631 O HOH A 211 8.784 14.941 11.566 1.00 0.00 O
ATOM 632 H1 HOH A 211 8.650 14.623 10.673 1.00 0.00 H
ATOM 633 H2 HOH A 211 9.188 14.205 12.025 1.00 0.00 H
ATOM 634 O HOH A 212 1.960 10.704 22.633 1.00 0.00 O
ATOM 635 H1 HOH A 212 2.597 11.394 22.444 1.00 0.00 H
ATOM 636 H2 HOH A 212 2.327 9.920 22.224 1.00 0.00 H
ATOM 637 O HOH A 213 2.809 24.603 3.886 1.00 0.00 O
ATOM 638 H1 HOH A 213 2.480 25.374 4.348 1.00 0.00 H
ATOM 639 H2 HOH A 213 3.561 24.317 4.403 1.00 0.00 H
ATOM 640 O HOH A 214 9.843 5.397 11.368 1.00 0.00 O
ATOM 641 H1 HOH A 214 9.416 4.801 11.983 1.00 0.00 H
ATOM 642 H2 HOH A 214 10.205 6.091 11.919 1.00 0.00 H
ATOM 643 O HOH A 215 22.473 4.822 13.109 1.00 0.00 O
ATOM 644 H1 HOH A 215 23.201 4.620 12.521 1.00 0.00 H
ATOM 645 H2 HOH A 215 22.885 5.236 13.867 1.00 0.00 H
ATOM 646 O HOH A 216 19.750 24.314 11.969 1.00 0.00 O
ATOM 647 H1 HOH A 216 18.877 24.488 11.618 1.00 0.00 H
ATOM 648 H2 HOH A 216 19.611 24.194 12.909 1.00 0.00 H
ATOM 649 O HOH A 217 12.709 21.249 7.801 1.00 0.00 O
ATOM 650 H1 HOH A 217 12.755 20.569 8.473 1.00 0.00 H
ATOM 651 H2 HOH A 217 12.578 22.061 8.291 1.00 0.00 H
ATOM 652 O HOH A 218 23.768 22.364 6.306 1.00 0.00 O
ATOM 653 H1 HOH A 218 23.075 21.886 5.850 1.00 0.00 H
ATOM 654 H2 HOH A 218 23.439 22.471 7.198 1.00 0.00 H
ATOM 655 O HOH A 219 1.858 8.609 13.682 1.00 0.00 O
ATOM 656 H1 HOH A 219 1.246 8.145 13.110 1.00 0.00 H
ATOM 657 H2 HOH A 219 2.721 8.295 13.414 1.00 0.00 H
ATOM 658 O HOH A 220 23.286 22.565 2.810 1.00 0.00 O
ATOM 659 H1 HOH A 220 24.238 22.642 2.882 1.00 0.00 H
ATOM 660 H2 HOH A 220 23.085 21.707 3.183 1.00 0.00 H
ATOM 661 O HOH A 221 7.408 3.144 0.633 1.00 0.00 O
ATOM 662 H1 HOH A 221 7.970 3.417 1.358 1.00 0.00 H
ATOM 663 H2 HOH A 221 6.820 2.494 1.016 1.00 0.00 H
ATOM 664 O HOH A 222 4.467 4.241 10.053 1.00 0.00 O
ATOM 665 H1 HOH A 222 4.110 5.067 9.726 1.00 0.00 H
ATOM 666 H2 HOH A 222 5.398 4.279 9.833 1.00 0.00 H
ATOM 667 O HOH A 223 3.385 15.668 13.876 1.00 0.00 O
ATOM 668 H1 HOH A 223 3.939 14.894 13.971 1.00 0.00 H
ATOM 669 H2 HOH A 223 3.055 15.619 12.979 1.00 0.00 H
ATOM 670 O HOH A 224 13.415 16.171 11.555 1.00 0.00 O
ATOM 671 H1 HOH A 224 12.717 15.530 11.420 1.00 0.00 H
ATOM 672 H2 HOH A 224 14.011 16.035 10.819 1.00 0.00 H
ATOM 673 O HOH A 225 1.462 7.299 4.733 1.00 0.00 O
ATOM 674 H1 HOH A 225 1.172 8.190 4.538 1.00 0.00 H
ATOM 675 H2 HOH A 225 2.049 7.074 4.011 1.00 0.00 H
ATOM 676 O HOH A 226 23.131 19.714 3.463 1.00 0.00 O
ATOM 677 H1 HOH A 226 22.853 18.826 3.689 1.00 0.00 H
ATOM 678 H2 HOH A 226 22.927 19.800 2.532 1.00 0.00 H
ATOM 679 O HOH A 227 20.348 19.676 7.165 1.00 0.00 O
ATOM 680 H1 HOH A 227 20.353 18.744 7.380 1.00 0.00 H
ATOM 681 H2 HOH A 227 20.773 20.097 7.912 1.00 0.00 H
ATOM 682 O HOH A 228 13.675 18.515 22.231 1.00 0.00 O
ATOM 683 H1 HOH A 228 13.088 18.337 21.496 1.00 0.00 H
ATOM 684 H2 HOH A 228 14.353 19.082 21.865 1.00 0.00 H
ATOM 685 O HOH A 229 23.741 10.577 8.321 1.00 0.00 O
ATOM 686 H1 HOH A 229 23.900 9.732 8.741 1.00 0.00 H
ATOM 687 H2 HOH A 229 23.024 10.410 7.709 1.00 0.00 H
ATOM 688 O HOH A 230 14.886 6.229 23.500 1.00 0.00 O
ATOM 689 H1 HOH A 230 15.097 7.022 23.993 1.00 0.00 H
ATOM 690 H2 HOH A 230 15.473 6.253 22.744 1.00 0.00 H
ATOM 691 O HOH A 231 1.304 3.052 18.218 1.00 0.00 O
ATOM 692 H1 HOH A 231 1.995 2.389 18.220 1.00 0.00 H
ATOM 693 H2 HOH A 231 0.729 2.797 17.497 1.00 0.00 H
ATOM 694 O HOH A 232 14.697 17.198 24.499 1.00 0.00 O
ATOM 695 H1 HOH A 232 13.935 17.405 23.958 1.00 0.00 H
ATOM 696 H2 HOH A 232 14.547 17.671 25.317 1.00 0.00 H
ATOM 697 O HOH A 233 24.379 7.914 8.957 1.00 0.00 O
ATOM 698 H1 HOH A 233 23.997 7.083 8.675 1.00 0.00 H
ATOM 699 H2 HOH A 233 24.879 7.695 9.743 1.00 0.00 H
ATOM 700 O HOH A 234 1.249 19.360 14.989 1.00 0.00 O
ATOM 701 H1 HOH A 234 0.295 19.368 15.060 1.00 0.00 H
ATOM 702 H2 HOH A 234 1.541 18.818 15.722 1.00 0.00 H
ATOM 703 Na NA A 235 22.947 7.523 18.508 1.00 0.00 Na
ATOM 704 Du NA A 235 22.594 6.678 17.872 1.00 0.00 H
ATOM 705 Du NA A 235 22.300 8.664 18.997 1.00 0.00 H
ATOM 706 O HOH A 236 0.578 17.628 17.135 1.00 0.00 O
ATOM 707 H1 HOH A 236 1.325 17.483 17.716 1.00 0.00 H
ATOM 708 H2 HOH A 236 -0.151 17.182 17.565 1.00 0.00 H
ATOM 709 O HOH A 237 15.830 12.065 6.855 1.00 0.00 O
ATOM 710 H1 HOH A 237 16.678 12.150 7.291 1.00 0.00 H
ATOM 711 H2 HOH A 237 15.695 12.910 6.427 1.00 0.00 H
ATOM 712 O HOH A 238 12.459 9.161 16.895 1.00 0.00 O
ATOM 713 H1 HOH A 238 13.374 9.382 16.723 1.00 0.00 H
ATOM 714 H2 HOH A 238 12.260 8.460 16.274 1.00 0.00 H
ATOM 715 O HOH A 239 1.777 7.823 0.771 1.00 0.00 O
ATOM 716 H1 HOH A 239 1.751 8.742 0.504 1.00 0.00 H
ATOM 717 H2 HOH A 239 2.707 7.595 0.753 1.00 0.00 H
ATOM 718 O HOH A 240 5.245 9.028 9.096 1.00 0.00 O
ATOM 719 H1 HOH A 240 4.841 9.774 9.539 1.00 0.00 H
ATOM 720 H2 HOH A 240 4.572 8.348 9.111 1.00 0.00 H
ATOM 721 O HOH A 241 0.649 12.240 9.353 1.00 0.00 O
ATOM 722 H1 HOH A 241 0.139 11.525 8.972 1.00 0.00 H
ATOM 723 H2 HOH A 241 0.802 12.841 8.624 1.00 0.00 H
ATOM 724 O HOH A 242 17.045 9.991 3.818 1.00 0.00 O
ATOM 725 H1 HOH A 242 17.600 10.655 4.228 1.00 0.00 H
ATOM 726 H2 HOH A 242 17.471 9.160 4.028 1.00 0.00 H
ATOM 727 O HOH A 243 18.195 8.999 19.345 1.00 0.00 O
ATOM 728 H1 HOH A 243 18.969 9.071 19.903 1.00 0.00 H
ATOM 729 H2 HOH A 243 17.469 9.278 19.902 1.00 0.00 H
ATOM 730 O HOH A 244 14.756 6.246 18.248 1.00 0.00 O
ATOM 731 H1 HOH A 244 14.333 6.160 19.102 1.00 0.00 H
ATOM 732 H2 HOH A 244 15.691 6.288 18.446 1.00 0.00 H
ATOM 733 O HOH A 245 19.162 6.451 15.048 1.00 0.00 O
ATOM 734 H1 HOH A 245 18.760 7.270 14.760 1.00 0.00 H
ATOM 735 H2 HOH A 245 18.441 5.821 15.062 1.00 0.00 H
ATOM 736 O HOH A 246 3.805 6.591 8.588 1.00 0.00 O
ATOM 737 H1 HOH A 246 4.025 6.078 7.811 1.00 0.00 H
ATOM 738 H2 HOH A 246 3.100 7.171 8.302 1.00 0.00 H
ATOM 739 O HOH A 247 19.842 10.622 15.936 1.00 0.00 O
ATOM 740 H1 HOH A 247 19.868 11.518 15.600 1.00 0.00 H
ATOM 741 H2 HOH A 247 20.033 10.710 16.870 1.00 0.00 H
ATOM 742 O HOH A 248 23.002 10.948 4.596 1.00 0.00 O
ATOM 743 H1 HOH A 248 22.468 10.739 5.363 1.00 0.00 H
ATOM 744 H2 HOH A 248 23.158 10.102 4.176 1.00 0.00 H
ATOM 745 O HOH A 249 21.799 17.961 18.325 1.00 0.00 O
ATOM 746 H1 HOH A 249 21.612 18.284 17.443 1.00 0.00 H
ATOM 747 H2 HOH A 249 21.805 17.008 18.235 1.00 0.00 H
ATOM 748 O HOH A 250 16.816 7.613 0.082 1.00 0.00 O
ATOM 749 H1 HOH A 250 16.550 8.466 0.424 1.00 0.00 H
ATOM 750 H2 HOH A 250 17.616 7.399 0.562 1.00 0.00 H
ATOM 751 O HOH A 251 15.649 3.034 15.574 1.00 0.00 O
ATOM 752 H1 HOH A 251 16.141 3.251 14.783 1.00 0.00 H
ATOM 753 H2 HOH A 251 16.133 3.459 16.282 1.00 0.00 H
ATOM 754 O HOH A 252 16.590 5.218 21.403 1.00 0.00 O
ATOM 755 H1 HOH A 252 16.927 5.653 20.619 1.00 0.00 H
ATOM 756 H2 HOH A 252 16.392 4.327 21.117 1.00 0.00 H
ATOM 757 O HOH A 253 22.662 1.977 5.516 1.00 0.00 O
ATOM 758 H1 HOH A 253 22.352 1.244 4.983 1.00 0.00 H
ATOM 759 H2 HOH A 253 23.610 1.985 5.386 1.00 0.00 H
ATOM 760 O HOH A 254 13.438 5.233 15.712 1.00 0.00 O
ATOM 761 H1 HOH A 254 13.805 5.459 16.567 1.00 0.00 H
ATOM 762 H2 HOH A 254 14.085 5.551 15.082 1.00 0.00 H
ATOM 763 O HOH A 255 0.310 14.691 22.033 1.00 0.00 O
ATOM 764 H1 HOH A 255 0.881 13.929 22.133 1.00 0.00 H
ATOM 765 H2 HOH A 255 0.168 15.002 22.927 1.00 0.00 H
ATOM 766 O HOH A 256 23.412 9.833 14.422 1.00 0.00 O
ATOM 767 H1 HOH A 256 22.828 9.089 14.273 1.00 0.00 H
ATOM 768 H2 HOH A 256 23.248 10.419 13.683 1.00 0.00 H
ATOM 769 O HOH A 257 13.094 2.207 15.136 1.00 0.00 O
ATOM 770 H1 HOH A 257 12.524 2.968 15.247 1.00 0.00 H
ATOM 771 H2 HOH A 257 13.980 2.569 15.128 1.00 0.00 H
ATOM 772 O HOH A 258 3.522 11.126 20.171 1.00 0.00 O
ATOM 773 H1 HOH A 258 3.493 10.288 19.708 1.00 0.00 H
ATOM 774 H2 HOH A 258 4.284 11.055 20.746 1.00 0.00 H
ATOM 775 O HOH A 259 20.266 3.101 5.716 1.00 0.00 O
ATOM 776 H1 HOH A 259 19.876 3.095 6.590 1.00 0.00 H
ATOM 777 H2 HOH A 259 21.144 2.741 5.842 1.00 0.00 H
ATOM 778 O HOH A 260 16.880 10.063 23.260 1.00 0.00 O
ATOM 779 H1 HOH A 260 16.245 10.638 23.687 1.00 0.00 H
ATOM 780 H2 HOH A 260 17.244 10.593 22.551 1.00 0.00 H
ATOM 781 O HOH A 261 24.275 10.586 23.776 1.00 0.00 O
ATOM 782 H1 HOH A 261 24.908 10.228 23.154 1.00 0.00 H
ATOM 783 H2 HOH A 261 23.973 11.398 23.370 1.00 0.00 H
ATOM 784 O HOH A 262 15.756 9.800 1.596 1.00 0.00 O
ATOM 785 H1 HOH A 262 16.006 10.686 1.334 1.00 0.00 H
ATOM 786 H2 HOH A 262 16.198 9.664 2.435 1.00 0.00 H
ATOM 787 O HOH A 263 7.610 15.391 14.037 1.00 0.00 O
ATOM 788 H1 HOH A 263 7.881 15.376 13.119 1.00 0.00 H
ATOM 789 H2 HOH A 263 6.920 14.730 14.095 1.00 0.00 H
ATOM 790 O HOH A 264 13.571 3.522 3.413 1.00 0.00 O
ATOM 791 H1 HOH A 264 12.954 4.156 3.779 1.00 0.00 H
ATOM 792 H2 HOH A 264 14.431 3.921 3.546 1.00 0.00 H
ATOM 793 O HOH A 265 19.378 11.594 22.381 1.00 0.00 O
ATOM 794 H1 HOH A 265 18.989 12.261 22.946 1.00 0.00 H
ATOM 795 H2 HOH A 265 19.206 11.902 21.492 1.00 0.00 H
ATOM 796 O HOH A 266 22.947 13.809 3.181 1.00 0.00 O
ATOM 797 H1 HOH A 266 22.981 13.632 4.121 1.00 0.00 H
ATOM 798 H2 HOH A 266 23.532 14.556 3.055 1.00 0.00 H
ATOM 799 O HOH A 267 15.890 6.883 5.847 1.00 0.00 O
ATOM 800 H1 HOH A 267 15.005 7.052 6.172 1.00 0.00 H
ATOM 801 H2 HOH A 267 16.466 7.213 6.537 1.00 0.00 H
ATOM 802 O HOH A 268 15.622 9.516 20.656 1.00 0.00 O
ATOM 803 H1 HOH A 268 15.999 10.041 21.363 1.00 0.00 H
ATOM 804 H2 HOH A 268 14.761 9.904 20.501 1.00 0.00 H
ATOM 805 O HOH A 269 2.961 10.875 7.581 1.00 0.00 O
ATOM 806 H1 HOH A 269 3.717 10.760 7.005 1.00 0.00 H
ATOM 807 H2 HOH A 269 2.442 10.081 7.456 1.00 0.00 H
ATOM 808 O HOH A 270 19.596 8.932 21.803 1.00 0.00 O
ATOM 809 H1 HOH A 270 19.564 9.808 22.187 1.00 0.00 H
ATOM 810 H2 HOH A 270 18.866 8.465 22.210 1.00 0.00 H
ATOM 811 O HOH A 271 23.333 5.905 15.406 1.00 0.00 O
ATOM 812 H1 HOH A 271 23.160 6.804 15.124 1.00 0.00 H
ATOM 813 H2 HOH A 271 24.251 5.912 15.678 1.00 0.00 H
ATOM 814 O HOH A 272 1.035 12.970 14.382 1.00 0.00 O
ATOM 815 H1 HOH A 272 0.289 12.976 13.783 1.00 0.00 H
ATOM 816 H2 HOH A 272 0.943 13.778 14.888 1.00 0.00 H
ATOM 817 O HOH A 273 15.589 13.507 16.745 1.00 0.00 O
ATOM 818 H1 HOH A 273 16.526 13.318 16.796 1.00 0.00 H
ATOM 819 H2 HOH A 273 15.444 14.183 17.406 1.00 0.00 H
ATOM 820 O HOH A 274 22.002 9.045 20.441 1.00 0.00 O
ATOM 821 H1 HOH A 274 21.229 8.951 20.998 1.00 0.00 H
ATOM 822 H2 HOH A 274 22.722 9.193 21.054 1.00 0.00 H
ATOM 823 O HOH A 275 22.389 3.327 9.235 1.00 0.00 O
ATOM 824 H1 HOH A 275 21.473 3.488 9.460 1.00 0.00 H
ATOM 825 H2 HOH A 275 22.405 2.422 8.923 1.00 0.00 H
ATOM 826 O HOH A 276 20.422 8.849 2.231 1.00 0.00 O
ATOM 827 H1 HOH A 276 21.161 9.042 2.808 1.00 0.00 H
ATOM 828 H2 HOH A 276 20.446 9.541 1.570 1.00 0.00 H
ATOM 829 Na NA A 277 11.955 8.299 6.596 1.00 0.00 Na
ATOM 830 Du NA A 277 12.750 8.506 6.486 1.00 0.00 H
ATOM 831 Du NA A 277 11.841 7.774 7.246 1.00 0.00 H
ATOM 832 O HOH A 278 0.536 13.794 0.013 1.00 0.00 O
ATOM 833 H1 HOH A 278 1.327 13.255 0.025 1.00 0.00 H
ATOM 834 H2 HOH A 278 -0.035 13.396 0.670 1.00 0.00 H
ATOM 835 O HOH A 279 1.413 10.477 0.337 1.00 0.00 O
ATOM 836 H1 HOH A 279 0.590 10.764 -0.059 1.00 0.00 H
ATOM 837 H2 HOH A 279 2.091 10.916 -0.176 1.00 0.00 H
ATOM 838 Cl CL A 280 20.529 10.605 12.219 1.00 0.00 Cl
ATOM 839 Du CL A 280 21.280 10.096 11.532 1.00 0.00 H
ATOM 840 Du CL A 280 21.006 11.854 12.011 1.00 0.00 H
ATOM 841 O HOH A 281 19.572 14.741 7.303 1.00 0.00 O
ATOM 842 H1 HOH A 281 20.335 14.393 7.764 1.00 0.00 H
ATOM 843 H2 HOH A 281 18.826 14.292 7.701 1.00 0.00 H
ATOM 844 O HOH A 282 4.205 24.840 14.121 1.00 0.00 O
ATOM 845 H1 HOH A 282 3.425 25.059 13.611 1.00 0.00 H
ATOM 846 H2 HOH A 282 3.869 24.377 14.888 1.00 0.00 H
ATOM 847 O HOH A 283 24.064 3.450 11.434 1.00 0.00 O
ATOM 848 H1 HOH A 283 24.802 3.755 10.908 1.00 0.00 H
ATOM 849 H2 HOH A 283 23.326 3.430 10.824 1.00 0.00 H
ATOM 850 O HOH A 284 2.032 0.295 18.360 1.00 0.00 O
ATOM 851 H1 HOH A 284 1.819 0.149 19.282 1.00 0.00 H
ATOM 852 H2 HOH A 284 1.185 0.292 17.915 1.00 0.00 H
ATOM 853 O HOH A 285 23.498 7.241 22.445 1.00 0.00 O
ATOM 854 H1 HOH A 285 22.950 7.785 23.011 1.00 0.00 H
ATOM 855 H2 HOH A 285 24.173 6.892 23.027 1.00 0.00 H
ATOM 856 O HOH A 286 6.559 2.262 18.099 1.00 0.00 O
ATOM 857 H1 HOH A 286 6.954 2.978 18.596 1.00 0.00 H
ATOM 858 H2 HOH A 286 6.142 1.711 18.762 1.00 0.00 H
ATOM 859 O HOH A 287 24.559 5.881 20.350 1.00 0.00 O
ATOM 860 H1 HOH A 287 24.276 6.200 21.207 1.00 0.00 H
ATOM 861 H2 HOH A 287 23.882 5.256 20.091 1.00 0.00 H
ATOM 862 O HOH A 288 12.191 7.098 24.805 1.00 0.00 O
ATOM 863 H1 HOH A 288 11.701 7.517 25.513 1.00 0.00 H
ATOM 864 H2 HOH A 288 11.517 6.751 24.220 1.00 0.00 H
ATOM 865 O HOH A 289 19.353 8.109 5.411 1.00 0.00 O
ATOM 866 H1 HOH A 289 19.778 7.419 4.901 1.00 0.00 H
ATOM 867 H2 HOH A 289 18.935 7.647 6.138 1.00 0.00 H
ATOM 868 O HOH A 290 20.858 16.606 14.623 1.00 0.00 O
ATOM 869 H1 HOH A 290 20.901 17.559 14.705 1.00 0.00 H
ATOM 870 H2 HOH A 290 20.006 16.372 14.992 1.00 0.00 H
ATOM 871 O HOH A 291 18.766 10.501 7.577 1.00 0.00 O
ATOM 872 H1 HOH A 291 18.668 10.403 6.630 1.00 0.00 H
ATOM 873 H2 HOH A 291 19.692 10.708 7.702 1.00 0.00 H
ATOM 874 O HOH A 292 9.778 2.099 21.090 1.00 0.00 O
ATOM 875 H1 HOH A 292 9.303 2.495 21.821 1.00 0.00 H
ATOM 876 H2 HOH A 292 10.386 2.779 20.802 1.00 0.00 H
ATOM 877 O HOH A 293 14.340 6.519 1.350 1.00 0.00 O
ATOM 878 H1 HOH A 293 13.436 6.815 1.450 1.00 0.00 H
ATOM 879 H2 HOH A 293 14.448 6.394 0.407 1.00 0.00 H
ATOM 880 O HOH A 294 0.780 9.439 3.291 1.00 0.00 O
ATOM 881 H1 HOH A 294 -0.142 9.644 3.137 1.00 0.00 H
ATOM 882 H2 HOH A 294 1.176 9.447 2.420 1.00 0.00 H
ATOM 883 O HOH A 295 0.479 8.933 18.761 1.00 0.00 O
ATOM 884 H1 HOH A 295 0.823 9.818 18.637 1.00 0.00 H
ATOM 885 H2 HOH A 295 0.910 8.411 18.084 1.00 0.00 H
ATOM 886 O HOH A 296 15.929 18.694 14.424 1.00 0.00 O
ATOM 887 H1 HOH A 296 16.409 19.328 13.891 1.00 0.00 H
ATOM 888 H2 HOH A 296 16.605 18.254 14.940 1.00 0.00 H
ATOM 889 O HOH A 297 4.502 11.139 12.610 1.00 0.00 O
ATOM 890 H1 HOH A 297 4.230 12.051 12.714 1.00 0.00 H
ATOM 891 H2 HOH A 297 3.889 10.777 11.970 1.00 0.00 H
ATOM 892 O HOH A 298 5.702 0.208 19.911 1.00 0.00 O
ATOM 893 H1 HOH A 298 5.196 -0.292 19.271 1.00 0.00 H
ATOM 894 H2 HOH A 298 5.100 0.887 20.216 1.00 0.00 H
ATOM 895 O HOH A 299 13.318 15.333 18.700 1.00 0.00 O
ATOM 896 H1 HOH A 299 12.863 14.502 18.837 1.00 0.00 H
ATOM 897 H2 HOH A 299 13.802 15.479 19.513 1.00 0.00 H
ATOM 898 O HOH A 300 0.134 9.552 11.826 1.00 0.00 O
ATOM 899 H1 HOH A 300 0.504 9.502 12.707 1.00 0.00 H
ATOM 900 H2 HOH A 300 0.268 8.678 11.459 1.00 0.00 H
ATOM 901 O HOH A 301 3.782 10.883 10.023 1.00 0.00 O
ATOM 902 H1 HOH A 301 3.515 11.089 9.127 1.00 0.00 H
ATOM 903 H2 HOH A 301 3.023 11.112 10.558 1.00 0.00 H
ATOM 904 O HOH A 302 19.345 3.393 8.276 1.00 0.00 O
ATOM 905 H1 HOH A 302 18.430 3.639 8.140 1.00 0.00 H
ATOM 906 H2 HOH A 302 19.759 4.187 8.615 1.00 0.00 H
ATOM 907 O HOH A 303 1.817 11.612 11.639 1.00 0.00 O
ATOM 908 H1 HOH A 303 1.260 10.910 11.977 1.00 0.00 H
ATOM 909 H2 HOH A 303 1.409 11.865 10.811 1.00 0.00 H
ATOM 910 O HOH A 304 1.129 4.515 9.952 1.00 0.00 O
ATOM 911 H1 HOH A 304 1.656 3.866 10.418 1.00 0.00 H
ATOM 912 H2 HOH A 304 1.105 4.200 9.049 1.00 0.00 H
ATOM 913 O HOH A 305 0.985 6.892 10.971 1.00 0.00 O
ATOM 914 H1 HOH A 305 0.781 6.026 10.618 1.00 0.00 H
ATOM 915 H2 HOH A 305 1.768 6.756 11.504 1.00 0.00 H
ATOM 916 O HOH A 306 17.989 8.272 13.387 1.00 0.00 O
ATOM 917 H1 HOH A 306 17.101 8.552 13.609 1.00 0.00 H
ATOM 918 H2 HOH A 306 18.388 9.042 12.982 1.00 0.00 H
ATOM 919 O HOH A 307 20.929 15.259 12.194 1.00 0.00 O
ATOM 920 H1 HOH A 307 20.275 14.569 12.087 1.00 0.00 H
ATOM 921 H2 HOH A 307 20.667 15.717 12.992 1.00 0.00 H
ATOM 922 O HOH A 308 11.916 4.511 10.077 1.00 0.00 O
ATOM 923 H1 HOH A 308 12.377 3.788 10.503 1.00 0.00 H
ATOM 924 H2 HOH A 308 11.170 4.691 10.650 1.00 0.00 H
ATOM 925 O HOH A 309 23.168 8.614 3.120 1.00 0.00 O
ATOM 926 H1 HOH A 309 23.200 7.837 3.677 1.00 0.00 H
ATOM 927 H2 HOH A 309 23.444 8.303 2.258 1.00 0.00 H
ATOM 928 O HOH A 310 22.446 16.234 9.188 1.00 0.00 O
ATOM 929 H1 HOH A 310 22.209 16.257 10.115 1.00 0.00 H
ATOM 930 H2 HOH A 310 22.890 15.393 9.075 1.00 0.00 H
ATOM 931 O HOH A 311 21.123 0.367 0.155 1.00 0.00 O
ATOM 932 H1 HOH A 311 21.695 0.365 -0.613 1.00 0.00 H
ATOM 933 H2 HOH A 311 21.507 -0.285 0.742 1.00 0.00 H
ATOM 934 O HOH A 312 17.460 9.321 16.842 1.00 0.00 O
ATOM 935 H1 HOH A 312 18.093 9.711 16.240 1.00 0.00 H
ATOM 936 H2 HOH A 312 17.955 9.174 17.648 1.00 0.00 H
ATOM 937 O HOH A 313 13.774 11.457 14.796 1.00 0.00 O
ATOM 938 H1 HOH A 313 14.390 11.086 14.164 1.00 0.00 H
ATOM 939 H2 HOH A 313 14.244 11.435 15.629 1.00 0.00 H
ATOM 940 O HOH A 314 13.844 8.442 9.951 1.00 0.00 O
ATOM 941 H1 HOH A 314 14.074 7.572 9.625 1.00 0.00 H
ATOM 942 H2 HOH A 314 14.489 9.027 9.554 1.00 0.00 H
ATOM 943 O HOH A 315 3.446 14.710 9.307 1.00 0.00 O
ATOM 944 H1 HOH A 315 3.345 14.088 10.027 1.00 0.00 H
ATOM 945 H2 HOH A 315 4.372 14.658 9.072 1.00 0.00 H
ATOM 946 O HOH A 316 21.456 9.157 7.211 1.00 0.00 O
ATOM 947 H1 HOH A 316 21.002 8.926 6.400 1.00 0.00 H
ATOM 948 H2 HOH A 316 21.398 8.369 7.751 1.00 0.00 H
ATOM 949 O HOH A 317 6.780 6.839 7.781 1.00 0.00 O
ATOM 950 H1 HOH A 317 6.662 6.755 6.835 1.00 0.00 H
ATOM 951 H2 HOH A 317 5.969 7.244 8.089 1.00 0.00 H
ATOM 952 O HOH A 318 0.482 14.293 7.266 1.00 0.00 O
ATOM 953 H1 HOH A 318 1.421 14.466 7.333 1.00 0.00 H
ATOM 954 H2 HOH A 318 0.401 13.688 6.530 1.00 0.00 H
ATOM 955 O HOH A 319 22.853 9.393 10.528 1.00 0.00 O
ATOM 956 H1 HOH A 319 22.173 10.066 10.578 1.00 0.00 H
ATOM 957 H2 HOH A 319 23.518 9.678 11.154 1.00 0.00 H
ATOM 958 O HOH A 320 5.915 20.653 14.298 1.00 0.00 O
ATOM 959 H1 HOH A 320 6.829 20.939 14.297 1.00 0.00 H
ATOM 960 H2 HOH A 320 5.501 21.169 13.606 1.00 0.00 H
ATOM 961 O HOH A 321 1.978 8.613 16.358 1.00 0.00 O
ATOM 962 H1 HOH A 321 1.867 8.690 15.410 1.00 0.00 H
ATOM 963 H2 HOH A 321 2.412 7.769 16.481 1.00 0.00 H
ATOM 964 O HOH A 322 21.708 13.528 14.064 1.00 0.00 O
ATOM 965 H1 HOH A 322 21.475 12.661 13.732 1.00 0.00 H
ATOM 966 H2 HOH A 322 21.694 14.093 13.291 1.00 0.00 H
ATOM 967 O HOH A 323 25.115 4.351 1.546 1.00 0.00 O
ATOM 968 H1 HOH A 323 24.733 3.706 2.141 1.00 0.00 H
ATOM 969 H2 HOH A 323 24.362 4.814 1.179 1.00 0.00 H
ATOM 970 O HOH A 324 17.885 13.023 8.355 1.00 0.00 O
ATOM 971 H1 HOH A 324 17.651 13.413 9.198 1.00 0.00 H
ATOM 972 H2 HOH A 324 18.394 12.245 8.583 1.00 0.00 H
ATOM 973 O HOH A 325 2.096 20.309 17.899 1.00 0.00 O
ATOM 974 H1 HOH A 325 2.936 20.251 17.444 1.00 0.00 H
ATOM 975 H2 HOH A 325 1.924 19.417 18.200 1.00 0.00 H
ATOM 976 O HOH A 326 24.626 18.580 20.336 1.00 0.00 O
ATOM 977 H1 HOH A 326 25.523 18.437 20.036 1.00 0.00 H
ATOM 978 H2 HOH A 326 24.101 18.570 19.536 1.00 0.00 H
ATOM 979 O HOH A 327 11.902 2.888 19.111 1.00 0.00 O
ATOM 980 H1 HOH A 327 11.196 2.874 18.465 1.00 0.00 H
ATOM 981 H2 HOH A 327 12.703 2.923 18.590 1.00 0.00 H
ATOM 982 O HOH A 328 6.648 20.047 0.271 1.00 0.00 O
ATOM 983 H1 HOH A 328 6.827 20.437 -0.585 1.00 0.00 H
ATOM 984 H2 HOH A 328 5.884 20.524 0.596 1.00 0.00 H
ATOM 985 O HOH A 329 10.855 20.453 2.091 1.00 0.00 O
ATOM 986 H1 HOH A 329 10.493 20.878 1.313 1.00 0.00 H
ATOM 987 H2 HOH A 329 10.119 19.968 2.464 1.00 0.00 H
ATOM 988 O HOH A 330 11.369 20.406 23.767 1.00 0.00 O
ATOM 989 H1 HOH A 330 11.059 20.556 22.874 1.00 0.00 H
ATOM 990 H2 HOH A 330 11.323 19.457 23.881 1.00 0.00 H
ATOM 991 O HOH A 331 11.686 13.853 23.448 1.00 0.00 O
ATOM 992 H1 HOH A 331 11.488 14.436 24.181 1.00 0.00 H
ATOM 993 H2 HOH A 331 11.053 13.140 23.531 1.00 0.00 H
ATOM 994 O HOH A 332 12.595 19.178 5.031 1.00 0.00 O
ATOM 995 H1 HOH A 332 13.195 19.914 5.153 1.00 0.00 H
ATOM 996 H2 HOH A 332 12.294 19.261 4.127 1.00 0.00 H
ATOM 997 O HOH A 333 6.981 24.485 14.179 1.00 0.00 O
ATOM 998 H1 HOH A 333 6.061 24.628 13.959 1.00 0.00 H
ATOM 999 H2 HOH A 333 7.012 23.589 14.514 1.00 0.00 H
ATOM 1000 O HOH A 334 6.103 17.314 24.935 1.00 0.00 O
ATOM 1001 H1 HOH A 334 6.491 16.931 24.148 1.00 0.00 H
ATOM 1002 H2 HOH A 334 6.525 18.169 25.018 1.00 0.00 H
ATOM 1003 O HOH A 335 3.367 19.351 13.220 1.00 0.00 O
ATOM 1004 H1 HOH A 335 2.468 19.089 13.417 1.00 0.00 H
ATOM 1005 H2 HOH A 335 3.712 19.672 14.053 1.00 0.00 H
ATOM 1006 O HOH A 336 13.059 10.275 0.837 1.00 0.00 O
ATOM 1007 H1 HOH A 336 12.927 9.754 0.044 1.00 0.00 H
ATOM 1008 H2 HOH A 336 14.009 10.310 0.945 1.00 0.00 H
ATOM 1009 O HOH A 337 2.263 23.772 8.123 1.00 0.00 O
ATOM 1010 H1 HOH A 337 1.597 24.160 7.556 1.00 0.00 H
ATOM 1011 H2 HOH A 337 2.646 24.516 8.588 1.00 0.00 H
ATOM 1012 O HOH A 338 5.908 11.285 21.597 1.00 0.00 O
ATOM 1013 H1 HOH A 338 6.336 12.115 21.389 1.00 0.00 H
ATOM 1014 H2 HOH A 338 6.406 10.628 21.109 1.00 0.00 H
ATOM 1015 O HOH A 339 4.146 19.416 16.491 1.00 0.00 O
ATOM 1016 H1 HOH A 339 4.759 19.904 15.942 1.00 0.00 H
ATOM 1017 H2 HOH A 339 4.444 18.508 16.435 1.00 0.00 H
ATOM 1018 O HOH A 340 18.249 16.406 5.379 1.00 0.00 O
ATOM 1019 H1 HOH A 340 18.698 16.096 6.166 1.00 0.00 H
ATOM 1020 H2 HOH A 340 17.570 15.751 5.216 1.00 0.00 H
ATOM 1021 O HOH A 341 22.992 19.759 8.455 1.00 0.00 O
ATOM 1022 H1 HOH A 341 23.856 19.438 8.198 1.00 0.00 H
ATOM 1023 H2 HOH A 341 23.093 20.012 9.373 1.00 0.00 H
ATOM 1024 O HOH A 342 17.792 21.365 0.860 1.00 0.00 O
ATOM 1025 H1 HOH A 342 16.899 21.465 0.532 1.00 0.00 H
ATOM 1026 H2 HOH A 342 17.992 22.205 1.272 1.00 0.00 H
ATOM 1027 O HOH A 343 6.513 23.977 1.263 1.00 0.00 O
ATOM 1028 H1 HOH A 343 6.417 23.701 0.352 1.00 0.00 H
ATOM 1029 H2 HOH A 343 5.885 24.692 1.364 1.00 0.00 H
ATOM 1030 O HOH A 344 11.000 4.218 5.456 1.00 0.00 O
ATOM 1031 H1 HOH A 344 10.594 5.044 5.193 1.00 0.00 H
ATOM 1032 H2 HOH A 344 10.362 3.814 6.044 1.00 0.00 H
ATOM 1033 O HOH A 345 13.120 15.984 14.479 1.00 0.00 O
ATOM 1034 H1 HOH A 345 13.317 16.465 13.674 1.00 0.00 H
ATOM 1035 H2 HOH A 345 12.211 15.703 14.375 1.00 0.00 H
ATOM 1036 O HOH A 346 7.245 24.586 17.398 1.00 0.00 O
ATOM 1037 H1 HOH A 346 7.754 24.857 18.162 1.00 0.00 H
ATOM 1038 H2 HOH A 346 6.837 25.393 17.083 1.00 0.00 H
ATOM 1039 O HOH A 347 14.511 1.901 17.979 1.00 0.00 O
ATOM 1040 H1 HOH A 347 14.536 2.165 17.059 1.00 0.00 H
ATOM 1041 H2 HOH A 347 14.134 1.021 17.966 1.00 0.00 H
ATOM 1042 O HOH A 348 9.085 6.896 14.077 1.00 0.00 O
ATOM 1043 H1 HOH A 348 10.028 6.751 14.158 1.00 0.00 H
ATOM 1044 H2 HOH A 348 8.918 7.681 14.598 1.00 0.00 H
ATOM 1045 O HOH A 349 8.670 13.149 21.215 1.00 0.00 O
ATOM 1046 H1 HOH A 349 8.841 13.585 22.049 1.00 0.00 H
ATOM 1047 H2 HOH A 349 8.118 12.401 21.443 1.00 0.00 H
ATOM 1048 Cl CL A 350 10.930 17.458 24.289 1.00 0.00 Cl
ATOM 1049 Du CL A 350 11.422 17.995 23.924 1.00 0.00 H
ATOM 1050 Du CL A 350 11.497 17.167 24.067 1.00 0.00 H
ATOM 1051 O HOH A 351 12.343 13.518 7.660 1.00 0.00 O
ATOM 1052 H1 HOH A 351 11.914 13.603 6.808 1.00 0.00 H
ATOM 1053 H2 HOH A 351 12.109 14.321 8.127 1.00 0.00 H
ATOM 1054 O HOH A 352 10.033 11.277 3.786 1.00 0.00 O
ATOM 1055 H1 HOH A 352 10.802 11.218 4.353 1.00 0.00 H
ATOM 1056 H2 HOH A 352 10.286 11.899 3.104 1.00 0.00 H
ATOM 1057 O HOH A 353 12.556 24.299 24.083 1.00 0.00 O
ATOM 1058 H1 HOH A 353 12.634 24.041 25.002 1.00 0.00 H
ATOM 1059 H2 HOH A 353 13.287 24.901 23.941 1.00 0.00 H
ATOM 1060 O HOH A 354 4.173 22.088 19.692 1.00 0.00 O
ATOM 1061 H1 HOH A 354 3.658 21.452 19.195 1.00 0.00 H
ATOM 1062 H2 HOH A 354 5.043 22.057 19.293 1.00 0.00 H
ATOM 1063 O HOH A 355 10.702 10.904 23.142 1.00 0.00 O
ATOM 1064 H1 HOH A 355 10.553 11.625 22.530 1.00 0.00 H
ATOM 1065 H2 HOH A 355 10.177 10.183 22.796 1.00 0.00 H
ATOM 1066 O HOH A 356 12.521 18.887 19.705 1.00 0.00 O
ATOM 1067 H1 HOH A 356 12.458 17.975 19.422 1.00 0.00 H
ATOM 1068 H2 HOH A 356 12.978 19.329 18.990 1.00 0.00 H
ATOM 1069 O HOH A 357 17.757 14.305 1.640 1.00 0.00 O
ATOM 1070 H1 HOH A 357 18.673 14.048 1.531 1.00 0.00 H
ATOM 1071 H2 HOH A 357 17.598 14.933 0.935 1.00 0.00 H
ATOM 1072 O HOH A 358 24.445 16.314 12.711 1.00 0.00 O
ATOM 1073 H1 HOH A 358 23.845 17.027 12.491 1.00 0.00 H
ATOM 1074 H2 HOH A 358 25.074 16.299 11.990 1.00 0.00 H
ATOM 1075 O HOH A 359 11.844 14.679 5.068 1.00 0.00 O
ATOM 1076 H1 HOH A 359 12.196 15.027 4.249 1.00 0.00 H
ATOM 1077 H2 HOH A 359 10.894 14.747 4.969 1.00 0.00 H
ATOM 1078 O HOH A 360 20.977 16.937 7.003 1.00 0.00 O
ATOM 1079 H1 HOH A 360 21.577 16.819 7.740 1.00 0.00 H
ATOM 1080 H2 HOH A 360 20.514 16.101 6.936 1.00 0.00 H
ATOM 1081 O HOH A 361 8.749 14.170 23.621 1.00 0.00 O
ATOM 1082 H1 HOH A 361 8.167 14.324 24.366 1.00 0.00 H
ATOM 1083 H2 HOH A 361 8.824 15.024 23.195 1.00 0.00 H
ATOM 1084 O HOH A 362 9.632 18.722 3.917 1.00 0.00 O
ATOM 1085 H1 HOH A 362 9.044 19.364 4.315 1.00 0.00 H
ATOM 1086 H2 HOH A 362 9.195 18.469 3.104 1.00 0.00 H
ATOM 1087 O HOH A 363 16.651 6.963 3.330 1.00 0.00 O
ATOM 1088 H1 HOH A 363 15.850 7.353 2.981 1.00 0.00 H
ATOM 1089 H2 HOH A 363 16.408 6.653 4.202 1.00 0.00 H
ATOM 1090 O HOH A 364 9.121 3.431 7.019 1.00 0.00 O
ATOM 1091 H1 HOH A 364 8.773 3.838 7.812 1.00 0.00 H
ATOM 1092 H2 HOH A 364 9.447 2.579 7.310 1.00 0.00 H
ATOM 1093 O HOH A 365 12.118 0.209 5.440 1.00 0.00 O
ATOM 1094 H1 HOH A 365 12.787 0.181 4.755 1.00 0.00 H
ATOM 1095 H2 HOH A 365 12.451 0.843 6.075 1.00 0.00 H
ATOM 1096 O HOH A 366 15.189 16.605 9.469 1.00 0.00 O
ATOM 1097 H1 HOH A 366 15.053 16.497 8.527 1.00 0.00 H
ATOM 1098 H2 HOH A 366 15.541 17.490 9.561 1.00 0.00 H
ATOM 1099 O HOH A 367 -0.301 19.936 24.607 1.00 0.00 O
ATOM 1100 H1 HOH A 367 0.608 20.231 24.663 1.00 0.00 H
ATOM 1101 H2 HOH A 367 -0.269 19.011 24.854 1.00 0.00 H
ATOM 1102 O HOH A 368 9.768 0.004 24.187 1.00 0.00 O
ATOM 1103 H1 HOH A 368 9.299 0.791 23.912 1.00 0.00 H
ATOM 1104 H2 HOH A 368 9.877 -0.504 23.383 1.00 0.00 H
ATOM 1105 O HOH A 369 15.107 21.541 21.133 1.00 0.00 O
ATOM 1106 H1 HOH A 369 15.467 21.837 21.969 1.00 0.00 H
ATOM 1107 H2 HOH A 369 14.205 21.290 21.335 1.00 0.00 H
ATOM 1108 O HOH A 370 14.537 20.883 5.941 1.00 0.00 O
ATOM 1109 H1 HOH A 370 15.292 21.416 6.193 1.00 0.00 H
ATOM 1110 H2 HOH A 370 13.900 21.024 6.642 1.00 0.00 H
ATOM 1111 O HOH A 371 18.636 16.046 15.792 1.00 0.00 O
ATOM 1112 H1 HOH A 371 18.342 16.861 16.199 1.00 0.00 H
ATOM 1113 H2 HOH A 371 17.844 15.670 15.409 1.00 0.00 H
ATOM 1114 O HOH A 372 7.539 15.768 19.722 1.00 0.00 O
ATOM 1115 H1 HOH A 372 8.002 15.179 20.318 1.00 0.00 H
ATOM 1116 H2 HOH A 372 6.635 15.766 20.038 1.00 0.00 H
ATOM 1117 O HOH A 373 18.310 22.718 17.877 1.00 0.00 O
ATOM 1118 H1 HOH A 373 18.130 23.296 18.618 1.00 0.00 H
ATOM 1119 H2 HOH A 373 18.280 23.292 17.112 1.00 0.00 H
ATOM 1120 O HOH A 374 3.631 3.565 13.512 1.00 0.00 O
ATOM 1121 H1 HOH A 374 2.687 3.414 13.473 1.00 0.00 H
ATOM 1122 H2 HOH A 374 3.952 3.302 12.649 1.00 0.00 H
ATOM 1123 O HOH A 375 9.817 20.200 21.169 1.00 0.00 O
ATOM 1124 H1 HOH A 375 10.565 19.603 21.141 1.00 0.00 H
ATOM 1125 H2 HOH A 375 9.873 20.694 20.351 1.00 0.00 H
ATOM 1126 O HOH A 376 11.584 23.411 19.863 1.00 0.00 O
ATOM 1127 H1 HOH A 376 12.271 23.504 20.523 1.00 0.00 H
ATOM 1128 H2 HOH A 376 12.056 23.370 19.031 1.00 0.00 H
ATOM 1129 O HOH A 377 4.888 11.917 23.907 1.00 0.00 O
ATOM 1130 H1 HOH A 377 5.160 11.476 23.102 1.00 0.00 H
ATOM 1131 H2 HOH A 377 5.646 11.846 24.487 1.00 0.00 H
ATOM 1132 O HOH A 378 11.959 20.858 12.654 1.00 0.00 O
ATOM 1133 H1 HOH A 378 12.533 21.053 11.914 1.00 0.00 H
ATOM 1134 H2 HOH A 378 12.364 20.102 13.079 1.00 0.00 H
ATOM 1135 O HOH A 379 8.052 18.193 18.448 1.00 0.00 O
ATOM 1136 H1 HOH A 379 8.055 17.397 18.979 1.00 0.00 H
ATOM 1137 H2 HOH A 379 8.957 18.285 18.149 1.00 0.00 H
ATOM 1138 O HOH A 380 16.622 4.762 8.377 1.00 0.00 O
ATOM 1139 H1 HOH A 380 15.801 5.231 8.227 1.00 0.00 H
ATOM 1140 H2 HOH A 380 17.282 5.452 8.448 1.00 0.00 H
ATOM 1141 O HOH A 381 2.653 15.655 24.606 1.00 0.00 O
ATOM 1142 H1 HOH A 381 3.552 15.330 24.556 1.00 0.00 H
ATOM 1143 H2 HOH A 381 2.135 14.890 24.858 1.00 0.00 H
ATOM 1144 O HOH A 382 13.839 19.123 1.638 1.00 0.00 O
ATOM 1145 H1 HOH A 382 12.937 19.023 1.334 1.00 0.00 H
ATOM 1146 H2 HOH A 382 13.915 20.051 1.863 1.00 0.00 H
ATOM 1147 O HOH A 383 13.613 5.758 20.650 1.00 0.00 O
ATOM 1148 H1 HOH A 383 14.080 5.999 21.450 1.00 0.00 H
ATOM 1149 H2 HOH A 383 12.863 6.353 20.622 1.00 0.00 H
ATOM 1150 O HOH A 384 23.397 5.556 8.125 1.00 0.00 O
ATOM 1151 H1 HOH A 384 24.057 5.242 7.507 1.00 0.00 H
ATOM 1152 H2 HOH A 384 22.967 4.762 8.442 1.00 0.00 H
ATOM 1153 O HOH A 385 7.046 2.635 3.631 1.00 0.00 O
ATOM 1154 H1 HOH A 385 7.976 2.421 3.706 1.00 0.00 H
ATOM 1155 H2 HOH A 385 6.986 3.547 3.914 1.00 0.00 H
ATOM 1156 O HOH A 386 17.649 2.034 3.937 1.00 0.00 O
ATOM 1157 H1 HOH A 386 18.466 2.163 4.419 1.00 0.00 H
ATOM 1158 H2 HOH A 386 17.053 2.693 4.293 1.00 0.00 H
ATOM 1159 O HOH A 387 12.064 16.328 20.959 1.00 0.00 O
ATOM 1160 H1 HOH A 387 11.618 15.499 21.132 1.00 0.00 H
ATOM 1161 H2 HOH A 387 12.497 16.544 21.785 1.00 0.00 H
ATOM 1162 O HOH A 388 8.851 18.416 1.161 1.00 0.00 O
ATOM 1163 H1 HOH A 388 8.432 19.209 0.826 1.00 0.00 H
ATOM 1164 H2 HOH A 388 9.602 18.279 0.584 1.00 0.00 H
ATOM 1165 O HOH A 389 16.851 23.336 13.493 1.00 0.00 O
ATOM 1166 H1 HOH A 389 16.401 23.970 14.050 1.00 0.00 H
ATOM 1167 H2 HOH A 389 17.775 23.425 13.727 1.00 0.00 H
ATOM 1168 O HOH A 390 5.396 4.464 23.854 1.00 0.00 O
ATOM 1169 H1 HOH A 390 5.358 3.641 23.366 1.00 0.00 H
ATOM 1170 H2 HOH A 390 6.121 4.346 24.467 1.00 0.00 H
ATOM 1171 O HOH A 391 4.365 5.740 14.409 1.00 0.00 O
ATOM 1172 H1 HOH A 391 4.092 4.843 14.219 1.00 0.00 H
ATOM 1173 H2 HOH A 391 5.038 5.930 13.755 1.00 0.00 H
ATOM 1174 O HOH A 392 10.405 1.182 7.528 1.00 0.00 O
ATOM 1175 H1 HOH A 392 10.655 0.665 6.762 1.00 0.00 H
ATOM 1176 H2 HOH A 392 9.802 0.618 8.012 1.00 0.00 H
ATOM 1177 O HOH A 393 10.709 12.984 1.773 1.00 0.00 O
ATOM 1178 H1 HOH A 393 10.713 12.398 1.016 1.00 0.00 H
ATOM 1179 H2 HOH A 393 11.528 13.474 1.701 1.00 0.00 H
ATOM 1180 O HOH A 394 21.032 6.491 17.383 1.00 0.00 O
ATOM 1181 H1 HOH A 394 21.030 5.538 17.472 1.00 0.00 H
ATOM 1182 H2 HOH A 394 20.289 6.680 16.810 1.00 0.00 H
ATOM 1183 O HOH A 395 13.359 24.782 15.945 1.00 0.00 O
ATOM 1184 H1 HOH A 395 13.292 25.678 15.614 1.00 0.00 H
ATOM 1185 H2 HOH A 395 12.453 24.507 16.081 1.00 0.00 H
ATOM 1186 O HOH A 396 3.504 18.189 24.427 1.00 0.00 O
ATOM 1187 H1 HOH A 396 4.384 18.017 24.760 1.00 0.00 H
ATOM 1188 H2 HOH A 396 3.103 17.323 24.352 1.00 0.00 H
ATOM 1189 O HOH A 397 10.574 20.779 16.159 1.00 0.00 O
ATOM 1190 H1 HOH A 397 10.903 21.646 15.922 1.00 0.00 H
ATOM 1191 H2 HOH A 397 10.973 20.597 17.010 1.00 0.00 H
ATOM 1192 O HOH A 398 5.911 14.418 16.939 1.00 0.00 O
ATOM 1193 H1 HOH A 398 5.924 13.756 17.630 1.00 0.00 H
ATOM 1194 H2 HOH A 398 6.824 14.690 16.849 1.00 0.00 H
ATOM 1195 O HOH A 399 7.462 20.905 22.439 1.00 0.00 O
ATOM 1196 H1 HOH A 399 7.160 21.658 21.930 1.00 0.00 H
ATOM 1197 H2 HOH A 399 8.306 20.676 22.051 1.00 0.00 H
ATOM 1198 O HOH A 400 9.734 5.395 1.320 1.00 0.00 O
ATOM 1199 H1 HOH A 400 9.450 6.132 1.860 1.00 0.00 H
ATOM 1200 H2 HOH A 400 9.257 5.502 0.497 1.00 0.00 H
ATOM 1201 O HOH A 401 6.122 6.350 12.199 1.00 0.00 O
ATOM 1202 H1 HOH A 401 6.573 5.558 12.492 1.00 0.00 H
ATOM 1203 H2 HOH A 401 6.827 6.967 12.001 1.00 0.00 H
ATOM 1204 O HOH A 402 13.924 24.305 18.559 1.00 0.00 O
ATOM 1205 H1 HOH A 402 13.647 24.133 17.659 1.00 0.00 H
ATOM 1206 H2 HOH A 402 14.593 23.644 18.735 1.00 0.00 H
ATOM 1207 O HOH A 403 5.973 18.912 21.401 1.00 0.00 O
ATOM 1208 H1 HOH A 403 6.155 18.962 20.462 1.00 0.00 H
ATOM 1209 H2 HOH A 403 6.580 19.537 21.797 1.00 0.00 H
ATOM 1210 O HOH A 404 4.867 14.710 24.038 1.00 0.00 O
ATOM 1211 H1 HOH A 404 4.989 14.630 24.984 1.00 0.00 H
ATOM 1212 H2 HOH A 404 4.646 13.825 23.749 1.00 0.00 H
ATOM 1213 O HOH A 405 10.485 18.667 14.553 1.00 0.00 O
ATOM 1214 H1 HOH A 405 10.619 19.417 15.132 1.00 0.00 H
ATOM 1215 H2 HOH A 405 10.558 19.030 13.670 1.00 0.00 H
ATOM 1216 O HOH A 406 20.377 13.451 19.393 1.00 0.00 O
ATOM 1217 H1 HOH A 406 21.028 13.429 20.094 1.00 0.00 H
ATOM 1218 H2 HOH A 406 19.973 14.316 19.467 1.00 0.00 H
ATOM 1219 O HOH A 407 8.263 16.758 5.176 1.00 0.00 O
ATOM 1220 H1 HOH A 407 8.030 16.559 4.269 1.00 0.00 H
ATOM 1221 H2 HOH A 407 8.630 17.641 5.141 1.00 0.00 H
ATOM 1222 O HOH A 408 8.932 0.804 11.724 1.00 0.00 O
ATOM 1223 H1 HOH A 408 8.334 0.181 12.138 1.00 0.00 H
ATOM 1224 H2 HOH A 408 8.688 0.790 10.799 1.00 0.00 H
ATOM 1225 O HOH A 409 9.377 0.736 14.875 1.00 0.00 O
ATOM 1226 H1 HOH A 409 9.331 1.474 14.266 1.00 0.00 H
ATOM 1227 H2 HOH A 409 8.542 0.283 14.766 1.00 0.00 H
ATOM 1228 O HOH A 410 15.387 22.568 10.381 1.00 0.00 O
ATOM 1229 H1 HOH A 410 14.686 22.913 9.828 1.00 0.00 H
ATOM 1230 H2 HOH A 410 15.682 23.320 10.893 1.00 0.00 H
ATOM 1231 O HOH A 411 8.776 17.641 11.815 1.00 0.00 O
ATOM 1232 H1 HOH A 411 7.849 17.688 12.051 1.00 0.00 H
ATOM 1233 H2 HOH A 411 8.986 16.708 11.852 1.00 0.00 H
ATOM 1234 O HOH A 412 15.078 19.538 10.953 1.00 0.00 O
ATOM 1235 H1 HOH A 412 15.601 20.339 10.971 1.00 0.00 H
ATOM 1236 H2 HOH A 412 14.649 19.551 10.097 1.00 0.00 H
ATOM 1237 O HOH A 413 6.999 6.752 17.399 1.00 0.00 O
ATOM 1238 H1 HOH A 413 6.933 6.115 16.688 1.00 0.00 H
ATOM 1239 H2 HOH A 413 7.326 7.548 16.978 1.00 0.00 H
ATOM 1240 O HOH A 414 9.552 19.966 10.835 1.00 0.00 O
ATOM 1241 H1 HOH A 414 10.292 19.711 10.283 1.00 0.00 H
ATOM 1242 H2 HOH A 414 9.293 19.158 11.277 1.00 0.00 H
ATOM 1243 O HOH A 415 14.202 17.328 16.727 1.00 0.00 O
ATOM 1244 H1 HOH A 415 13.759 16.882 16.006 1.00 0.00 H
ATOM 1245 H2 HOH A 415 13.965 16.823 17.505 1.00 0.00 H
ATOM 1246 O HOH A 416 11.839 10.902 5.680 1.00 0.00 O
ATOM 1247 H1 HOH A 416 12.210 10.698 6.539 1.00 0.00 H
ATOM 1248 H2 HOH A 416 12.518 11.413 5.240 1.00 0.00 H
ATOM 1249 O HOH A 417 11.587 6.245 14.126 1.00 0.00 O
ATOM 1250 H1 HOH A 417 12.227 6.164 13.418 1.00 0.00 H
ATOM 1251 H2 HOH A 417 11.945 5.711 14.835 1.00 0.00 H
ATOM 1252 O HOH A 418 5.225 18.545 9.323 1.00 0.00 O
ATOM 1253 H1 HOH A 418 5.606 17.734 9.661 1.00 0.00 H
ATOM 1254 H2 HOH A 418 5.849 18.845 8.662 1.00 0.00 H
ATOM 1255 O HOH A 419 7.499 19.138 8.248 1.00 0.00 O
ATOM 1256 H1 HOH A 419 7.744 18.222 8.121 1.00 0.00 H
ATOM 1257 H2 HOH A 419 8.227 19.515 8.742 1.00 0.00 H
ATOM 1258 O HOH A 420 5.397 19.945 11.444 1.00 0.00 O
ATOM 1259 H1 HOH A 420 5.822 19.091 11.365 1.00 0.00 H
ATOM 1260 H2 HOH A 420 4.722 19.817 12.111 1.00 0.00 H
ATOM 1261 O HOH A 421 10.683 17.782 17.260 1.00 0.00 O
ATOM 1262 H1 HOH A 421 10.250 17.413 16.490 1.00 0.00 H
ATOM 1263 H2 HOH A 421 11.519 17.318 17.311 1.00 0.00 H
ATOM 1264 O HOH A 422 22.421 24.241 4.599 1.00 0.00 O
ATOM 1265 H1 HOH A 422 22.787 23.985 5.445 1.00 0.00 H
ATOM 1266 H2 HOH A 422 22.648 23.520 4.011 1.00 0.00 H
ATOM 1267 O HOH A 423 14.969 3.409 12.416 1.00 0.00 O
ATOM 1268 H1 HOH A 423 14.313 2.774 12.126 1.00 0.00 H
ATOM 1269 H2 HOH A 423 15.749 3.199 11.901 1.00 0.00 H
ATOM 1270 O HOH A 424 7.529 21.753 10.935 1.00 0.00 O
ATOM 1271 H1 HOH A 424 8.249 21.128 11.015 1.00 0.00 H
ATOM 1272 H2 HOH A 424 6.742 21.235 11.099 1.00 0.00 H
ATOM 1273 O HOH A 425 11.028 0.336 1.812 1.00 0.00 O
ATOM 1274 H1 HOH A 425 10.751 -0.107 1.009 1.00 0.00 H
ATOM 1275 H2 HOH A 425 11.478 1.124 1.508 1.00 0.00 H
ATOM 1276 O HOH A 426 10.538 19.468 8.275 1.00 0.00 O
ATOM 1277 H1 HOH A 426 10.584 20.272 7.758 1.00 0.00 H
ATOM 1278 H2 HOH A 426 10.983 18.812 7.739 1.00 0.00 H
ATOM 1279 O HOH A 427 8.523 16.805 22.611 1.00 0.00 O
ATOM 1280 H1 HOH A 427 9.362 16.834 23.071 1.00 0.00 H
ATOM 1281 H2 HOH A 427 8.384 17.702 22.307 1.00 0.00 H
ATOM 1282 O HOH A 428 17.795 24.044 20.187 1.00 0.00 O
ATOM 1283 H1 HOH A 428 17.113 23.798 20.812 1.00 0.00 H
ATOM 1284 H2 HOH A 428 18.080 24.912 20.471 1.00 0.00 H
ATOM 1285 O HOH A 429 18.354 18.562 0.526 1.00 0.00 O
ATOM 1286 H1 HOH A 429 18.959 18.441 -0.205 1.00 0.00 H
ATOM 1287 H2 HOH A 429 18.380 19.501 0.707 1.00 0.00 H
ATOM 1288 O HOH A 430 12.972 22.369 1.402 1.00 0.00 O
ATOM 1289 H1 HOH A 430 12.442 21.997 2.107 1.00 0.00 H
ATOM 1290 H2 HOH A 430 12.487 22.165 0.603 1.00 0.00 H
ATOM 1291 O HOH A 431 9.488 1.561 3.526 1.00 0.00 O
ATOM 1292 H1 HOH A 431 9.940 1.150 2.789 1.00 0.00 H
ATOM 1293 H2 HOH A 431 10.189 1.803 4.132 1.00 0.00 H
ATOM 1294 O HOH A 432 15.755 3.586 4.989 1.00 0.00 O
ATOM 1295 H1 HOH A 432 15.381 4.188 5.633 1.00 0.00 H
ATOM 1296 H2 HOH A 432 15.011 3.066 4.686 1.00 0.00 H
ATOM 1297 O HOH A 433 11.755 16.244 8.520 1.00 0.00 O
ATOM 1298 H1 HOH A 433 12.558 16.641 8.182 1.00 0.00 H
ATOM 1299 H2 HOH A 433 11.856 16.271 9.472 1.00 0.00 H
ATOM 1300 O HOH A 434 1.166 19.057 3.015 1.00 0.00 O
ATOM 1301 H1 HOH A 434 1.602 19.681 2.436 1.00 0.00 H
ATOM 1302 H2 HOH A 434 1.040 19.537 3.834 1.00 0.00 H
ATOM 1303 O HOH A 435 16.290 1.719 7.730 1.00 0.00 O
ATOM 1304 H1 HOH A 435 16.035 2.629 7.573 1.00 0.00 H
ATOM 1305 H2 HOH A 435 16.894 1.513 7.017 1.00 0.00 H
ATOM 1306 O HOH A 436 6.967 21.505 7.364 1.00 0.00 O
ATOM 1307 H1 HOH A 436 6.720 21.997 8.147 1.00 0.00 H
ATOM 1308 H2 HOH A 436 7.265 20.659 7.697 1.00 0.00 H
ATOM 1309 O HOH A 437 4.850 14.826 1.792 1.00 0.00 O
ATOM 1310 H1 HOH A 437 5.477 14.488 2.432 1.00 0.00 H
ATOM 1311 H2 HOH A 437 4.163 15.231 2.321 1.00 0.00 H
ATOM 1312 O HOH A 438 18.433 16.283 11.391 1.00 0.00 O
ATOM 1313 H1 HOH A 438 19.368 16.082 11.435 1.00 0.00 H
ATOM 1314 H2 HOH A 438 18.131 16.220 12.298 1.00 0.00 H
ATOM 1315 O HOH A 439 13.209 1.660 10.997 1.00 0.00 O
ATOM 1316 H1 HOH A 439 12.500 1.185 11.429 1.00 0.00 H
ATOM 1317 H2 HOH A 439 13.864 0.989 10.803 1.00 0.00 H
ATOM 1318 O HOH A 440 14.646 0.122 9.250 1.00 0.00 O
ATOM 1319 H1 HOH A 440 15.477 0.592 9.180 1.00 0.00 H
ATOM 1320 H2 HOH A 440 14.207 0.287 8.416 1.00 0.00 H
ATOM 1321 O HOH A 441 17.158 20.565 12.957 1.00 0.00 O
ATOM 1322 H1 HOH A 441 17.231 21.518 13.010 1.00 0.00 H
ATOM 1323 H2 HOH A 441 17.826 20.308 12.321 1.00 0.00 H
ATOM 1324 O HOH A 442 16.117 17.852 2.481 1.00 0.00 O
ATOM 1325 H1 HOH A 442 16.733 18.047 1.776 1.00 0.00 H
ATOM 1326 H2 HOH A 442 15.409 18.486 2.364 1.00 0.00 H
ATOM 1327 O HOH A 443 1.905 21.019 8.041 1.00 0.00 O
ATOM 1328 H1 HOH A 443 2.071 21.960 7.975 1.00 0.00 H
ATOM 1329 H2 HOH A 443 2.118 20.676 7.173 1.00 0.00 H
ATOM 1330 O HOH A 444 7.171 4.604 9.267 1.00 0.00 O
ATOM 1331 H1 HOH A 444 7.282 4.861 10.182 1.00 0.00 H
ATOM 1332 H2 HOH A 444 7.147 5.432 8.787 1.00 0.00 H
ATOM 1333 O HOH A 445 14.049 17.019 5.013 1.00 0.00 O
ATOM 1334 H1 HOH A 445 13.915 16.591 4.167 1.00 0.00 H
ATOM 1335 H2 HOH A 445 13.348 17.668 5.068 1.00 0.00 H
ATOM 1336 O HOH A 446 16.330 15.887 18.162 1.00 0.00 O
ATOM 1337 H1 HOH A 446 17.106 16.267 18.574 1.00 0.00 H
ATOM 1338 H2 HOH A 446 16.136 16.472 17.430 1.00 0.00 H
ATOM 1339 O HOH A 447 9.688 23.051 9.376 1.00 0.00 O
ATOM 1340 H1 HOH A 447 8.955 23.426 8.888 1.00 0.00 H
ATOM 1341 H2 HOH A 447 9.279 22.591 10.109 1.00 0.00 H
ATOM 1342 O HOH A 448 11.648 2.795 0.787 1.00 0.00 O
ATOM 1343 H1 HOH A 448 10.849 3.309 0.665 1.00 0.00 H
ATOM 1344 H2 HOH A 448 12.162 3.298 1.418 1.00 0.00 H
ATOM 1345 O HOH A 449 10.139 3.110 16.639 1.00 0.00 O
ATOM 1346 H1 HOH A 449 9.553 3.708 16.177 1.00 0.00 H
ATOM 1347 H2 HOH A 449 9.945 2.249 16.268 1.00 0.00 H
ATOM 1348 O HOH A 450 7.030 12.478 4.639 1.00 0.00 O
ATOM 1349 H1 HOH A 450 7.291 12.760 3.762 1.00 0.00 H
ATOM 1350 H2 HOH A 450 6.124 12.772 4.726 1.00 0.00 H
ATOM 1351 O HOH A 451 7.394 11.355 0.960 1.00 0.00 O
ATOM 1352 H1 HOH A 451 7.843 11.887 0.303 1.00 0.00 H
ATOM 1353 H2 HOH A 451 7.551 11.811 1.786 1.00 0.00 H
ATOM 1354 O HOH A 452 3.654 15.139 19.314 1.00 0.00 O
ATOM 1355 H1 HOH A 452 4.187 14.365 19.137 1.00 0.00 H
ATOM 1356 H2 HOH A 452 4.075 15.554 20.067 1.00 0.00 H
ATOM 1357 O HOH A 453 5.249 16.243 21.474 1.00 0.00 O
ATOM 1358 H1 HOH A 453 5.607 17.116 21.633 1.00 0.00 H
ATOM 1359 H2 HOH A 453 4.904 15.967 22.324 1.00 0.00 H
ATOM 1360 O HOH A 454 7.741 11.484 15.392 1.00 0.00 O
ATOM 1361 H1 HOH A 454 7.981 12.406 15.488 1.00 0.00 H
ATOM 1362 H2 HOH A 454 7.480 11.211 16.272 1.00 0.00 H
ATOM 1363 O HOH A 455 9.234 12.682 6.531 1.00 0.00 O
ATOM 1364 H1 HOH A 455 9.839 12.379 5.853 1.00 0.00 H
ATOM 1365 H2 HOH A 455 8.370 12.625 6.125 1.00 0.00 H
ATOM 1366 O HOH A 456 8.409 14.509 17.231 1.00 0.00 O
ATOM 1367 H1 HOH A 456 8.483 15.251 17.832 1.00 0.00 H
ATOM 1368 H2 HOH A 456 9.192 14.564 16.683 1.00 0.00 H
ATOM 1369 O HOH A 457 9.504 22.516 3.647 1.00 0.00 O
ATOM 1370 H1 HOH A 457 9.405 22.631 2.702 1.00 0.00 H
ATOM 1371 H2 HOH A 457 10.450 22.500 3.790 1.00 0.00 H
ATOM 1372 O HOH A 458 4.139 5.552 0.783 1.00 0.00 O
ATOM 1373 H1 HOH A 458 4.533 5.420 -0.079 1.00 0.00 H
ATOM 1374 H2 HOH A 458 4.535 6.362 1.106 1.00 0.00 H
ATOM 1375 O HOH A 459 13.682 6.081 7.477 1.00 0.00 O
ATOM 1376 H1 HOH A 459 12.982 6.152 8.126 1.00 0.00 H
ATOM 1377 H2 HOH A 459 13.622 5.180 7.158 1.00 0.00 H
ATOM 1378 O HOH A 460 4.928 7.028 19.402 1.00 0.00 O
ATOM 1379 H1 HOH A 460 4.590 6.133 19.367 1.00 0.00 H
ATOM 1380 H2 HOH A 460 5.274 7.189 18.524 1.00 0.00 H
ATOM 1381 O HOH A 461 7.399 11.075 18.130 1.00 0.00 O
ATOM 1382 H1 HOH A 461 7.147 10.301 18.635 1.00 0.00 H
ATOM 1383 H2 HOH A 461 8.312 11.232 18.370 1.00 0.00 H
ATOM 1384 O HOH A 462 10.463 9.113 0.964 1.00 0.00 O
ATOM 1385 H1 HOH A 462 10.015 9.255 0.131 1.00 0.00 H
ATOM 1386 H2 HOH A 462 11.275 9.614 0.889 1.00 0.00 H
ATOM 1387 O HOH A 463 10.231 10.647 18.624 1.00 0.00 O
ATOM 1388 H1 HOH A 463 10.458 9.787 18.977 1.00 0.00 H
ATOM 1389 H2 HOH A 463 11.072 11.091 18.513 1.00 0.00 H
ATOM 1390 O HOH A 464 15.187 10.677 9.200 1.00 0.00 O
ATOM 1391 H1 HOH A 464 15.622 11.030 8.424 1.00 0.00 H
ATOM 1392 H2 HOH A 464 15.295 11.357 9.865 1.00 0.00 H
ATOM 1393 O HOH A 465 8.912 5.165 21.445 1.00 0.00 O
ATOM 1394 H1 HOH A 465 8.009 5.420 21.632 1.00 0.00 H
ATOM 1395 H2 HOH A 465 8.860 4.687 20.617 1.00 0.00 H
ATOM 1396 O HOH A 466 8.785 8.845 23.421 1.00 0.00 O
ATOM 1397 H1 HOH A 466 7.995 8.381 23.699 1.00 0.00 H
ATOM 1398 H2 HOH A 466 9.105 8.346 22.669 1.00 0.00 H
ATOM 1399 O HOH A 467 10.213 6.937 4.897 1.00 0.00 O
ATOM 1400 H1 HOH A 467 9.458 7.233 4.388 1.00 0.00 H
ATOM 1401 H2 HOH A 467 10.114 7.369 5.745 1.00 0.00 H
ATOM 1402 O HOH A 468 7.086 9.115 20.045 1.00 0.00 O
ATOM 1403 H1 HOH A 468 6.424 8.425 20.077 1.00 0.00 H
ATOM 1404 H2 HOH A 468 7.868 8.716 20.425 1.00 0.00 H
ATOM 1405 O HOH A 469 10.982 5.685 22.973 1.00 0.00 O
ATOM 1406 H1 HOH A 469 11.506 4.887 22.906 1.00 0.00 H
ATOM 1407 H2 HOH A 469 10.216 5.515 22.424 1.00 0.00 H
ATOM 1408 Cl CL A 470 4.528 10.251 5.156 1.00 0.00 Cl
ATOM 1409 Du CL A 470 4.420 9.915 4.385 1.00 0.00 H
ATOM 1410 Du CL A 470 4.706 10.635 4.341 1.00 0.00 H
ATOM 1411 O HOH A 471 5.554 23.881 5.578 1.00 0.00 O
ATOM 1412 H1 HOH A 471 5.542 24.017 6.526 1.00 0.00 H
ATOM 1413 H2 HOH A 471 6.482 23.904 5.345 1.00 0.00 H
ATOM 1414 O HOH A 472 24.109 16.647 2.987 1.00 0.00 O
ATOM 1415 H1 HOH A 472 23.187 16.748 3.224 1.00 0.00 H
ATOM 1416 H2 HOH A 472 24.566 17.302 3.514 1.00 0.00 H
ATOM 1417 O HOH A 473 13.413 3.299 8.250 1.00 0.00 O
ATOM 1418 H1 HOH A 473 13.703 2.639 8.879 1.00 0.00 H
ATOM 1419 H2 HOH A 473 12.477 3.401 8.423 1.00 0.00 H
ATOM 1420 O HOH A 474 19.719 11.165 5.062 1.00 0.00 O
ATOM 1421 H1 HOH A 474 19.526 12.087 5.232 1.00 0.00 H
ATOM 1422 H2 HOH A 474 19.995 11.142 4.145 1.00 0.00 H
ATOM 1423 O HOH A 475 17.294 8.053 7.872 1.00 0.00 O
ATOM 1424 H1 HOH A 475 17.563 8.929 7.596 1.00 0.00 H
ATOM 1425 H2 HOH A 475 17.475 8.031 8.811 1.00 0.00 H
ATOM 1426 O HOH A 476 3.010 10.968 15.649 1.00 0.00 O
ATOM 1427 H1 HOH A 476 3.669 10.955 14.954 1.00 0.00 H
ATOM 1428 H2 HOH A 476 2.808 10.046 15.804 1.00 0.00 H
ATOM 1429 O HOH A 477 3.395 16.946 3.323 1.00 0.00 O
ATOM 1430 H1 HOH A 477 3.322 16.809 4.268 1.00 0.00 H
ATOM 1431 H2 HOH A 477 2.599 17.423 3.088 1.00 0.00 H
ATOM 1432 O HOH A 478 9.441 7.860 20.882 1.00 0.00 O
ATOM 1433 H1 HOH A 478 9.293 6.921 20.991 1.00 0.00 H
ATOM 1434 H2 HOH A 478 10.014 7.925 20.118 1.00 0.00 H
ATOM 1435 O HOH A 479 5.837 8.436 23.752 1.00 0.00 O
ATOM 1436 H1 HOH A 479 5.403 7.664 23.388 1.00 0.00 H
ATOM 1437 H2 HOH A 479 5.501 9.167 23.233 1.00 0.00 H
ATOM 1438 O HOH A 480 12.607 12.617 18.557 1.00 0.00 O
ATOM 1439 H1 HOH A 480 12.112 13.069 17.874 1.00 0.00 H
ATOM 1440 H2 HOH A 480 13.524 12.783 18.339 1.00 0.00 H
ATOM 1441 O HOH A 481 5.444 13.880 14.492 1.00 0.00 O
ATOM 1442 H1 HOH A 481 5.414 14.050 15.433 1.00 0.00 H
ATOM 1443 H2 HOH A 481 5.620 12.942 14.423 1.00 0.00 H
ATOM 1444 O HOH A 482 8.839 9.107 15.720 1.00 0.00 O
ATOM 1445 H1 HOH A 482 9.255 9.434 16.518 1.00 0.00 H
ATOM 1446 H2 HOH A 482 8.372 9.863 15.365 1.00 0.00 H
ATOM 1447 O HOH A 483 11.883 6.198 2.917 1.00 0.00 O
ATOM 1448 H1 HOH A 483 11.143 5.730 2.530 1.00 0.00 H
ATOM 1449 H2 HOH A 483 11.481 6.879 3.457 1.00 0.00 H
ATOM 1450 O HOH A 484 13.030 10.572 20.827 1.00 0.00 O
ATOM 1451 H1 HOH A 484 12.928 11.458 20.480 1.00 0.00 H
ATOM 1452 H2 HOH A 484 12.691 10.623 21.720 1.00 0.00 H
ATOM 1453 O HOH A 485 5.110 8.363 15.840 1.00 0.00 O
ATOM 1454 H1 HOH A 485 5.060 7.409 15.791 1.00 0.00 H
ATOM 1455 H2 HOH A 485 5.460 8.629 14.990 1.00 0.00 H
ATOM 1456 O HOH A 486 6.828 9.695 6.944 1.00 0.00 O
ATOM 1457 H1 HOH A 486 6.339 9.392 7.709 1.00 0.00 H
ATOM 1458 H2 HOH A 486 6.177 10.146 6.407 1.00 0.00 H
ATOM 1459 O HOH A 487 9.907 10.318 11.607 1.00 0.00 O
ATOM 1460 H1 HOH A 487 10.698 10.838 11.466 1.00 0.00 H
ATOM 1461 H2 HOH A 487 9.229 10.775 11.109 1.00 0.00 H
ATOM 1462 O HOH A 488 8.072 8.030 11.626 1.00 0.00 O
ATOM 1463 H1 HOH A 488 8.542 8.640 12.195 1.00 0.00 H
ATOM 1464 H2 HOH A 488 8.617 7.966 10.841 1.00 0.00 H
ATOM 1465 O HOH A 489 16.289 15.044 14.017 1.00 0.00 O
ATOM 1466 H1 HOH A 489 15.486 15.362 13.603 1.00 0.00 H
ATOM 1467 H2 HOH A 489 15.987 14.563 14.787 1.00 0.00 H
ATOM 1468 O HOH A 490 8.338 16.395 7.902 1.00 0.00 O
ATOM 1469 H1 HOH A 490 8.285 16.253 6.957 1.00 0.00 H
ATOM 1470 H2 HOH A 490 9.269 16.537 8.072 1.00 0.00 H
ATOM 1471 O HOH A 491 10.972 12.026 9.462 1.00 0.00 O
ATOM 1472 H1 HOH A 491 10.190 11.604 9.107 1.00 0.00 H
ATOM 1473 H2 HOH A 491 11.396 12.424 8.702 1.00 0.00 H
ATOM 1474 O HOH A 492 8.829 10.772 8.497 1.00 0.00 O
ATOM 1475 H1 HOH A 492 8.136 10.554 7.874 1.00 0.00 H
ATOM 1476 H2 HOH A 492 8.375 10.884 9.333 1.00 0.00 H
ATOM 1477 O HOH A 493 15.236 8.520 13.072 1.00 0.00 O
ATOM 1478 H1 HOH A 493 14.646 8.733 13.795 1.00 0.00 H
ATOM 1479 H2 HOH A 493 14.680 8.539 12.294 1.00 0.00 H
ATOM 1480 O HOH A 494 11.656 14.226 10.898 1.00 0.00 O
ATOM 1481 H1 HOH A 494 10.744 14.512 10.947 1.00 0.00 H
ATOM 1482 H2 HOH A 494 11.632 13.439 10.353 1.00 0.00 H
ATOM 1483 O HOH A 495 10.949 7.924 18.666 1.00 0.00 O
ATOM 1484 H1 HOH A 495 11.466 7.123 18.576 1.00 0.00 H
ATOM 1485 H2 HOH A 495 11.360 8.543 18.062 1.00 0.00 H
ATOM 1486 O HOH A 496 8.801 9.259 4.994 1.00 0.00 O
ATOM 1487 H1 HOH A 496 8.012 9.446 5.502 1.00 0.00 H
ATOM 1488 H2 HOH A 496 8.940 10.047 4.469 1.00 0.00 H
ATOM 1489 O HOH A 497 17.472 7.600 10.535 1.00 0.00 O
ATOM 1490 H1 HOH A 497 18.085 7.499 11.262 1.00 0.00 H
ATOM 1491 H2 HOH A 497 16.710 8.033 10.921 1.00 0.00 H
ATOM 1492 O HOH A 498 10.139 12.955 12.799 1.00 0.00 O
ATOM 1493 H1 HOH A 498 10.223 12.317 13.507 1.00 0.00 H
ATOM 1494 H2 HOH A 498 11.038 13.112 12.509 1.00 0.00 H
ATOM 1495 O HOH A 499 14.382 15.065 7.069 1.00 0.00 O
ATOM 1496 H1 HOH A 499 14.123 15.474 6.243 1.00 0.00 H
ATOM 1497 H2 HOH A 499 13.781 14.327 7.170 1.00 0.00 H
ATOM 1498 O HOH A 500 7.863 11.570 10.786 1.00 0.00 O
ATOM 1499 H1 HOH A 500 7.519 12.441 10.590 1.00 0.00 H
ATOM 1500 H2 HOH A 500 7.698 11.451 11.721 1.00 0.00 H
ATOM 1501 O HOH A 501 13.442 18.850 13.438 1.00 0.00 O
ATOM 1502 H1 HOH A 501 14.076 18.799 12.723 1.00 0.00 H
ATOM 1503 H2 HOH A 501 13.959 18.695 14.229 1.00 0.00 H
TER 1504 HOH A 501
ENDMDL
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