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Unverified Commit be646878 authored by Evan Pretti's avatar Evan Pretti Committed by GitHub
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Merge pull request #4989 from epretti/fix-charmm-water-models 

Update CHARMM36 2024 and add water models
parents 6817921b 7abba925
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wrappers/python/setup.py
View file @ be646878
......@@ -153,7 +153,7 @@ def buildKeywordDictionary(major_version_num=MAJOR_VERSION_NUM,
"openmm.app.internal.pdbx.writer"]
setupKeywords["data_files"] = []
setupKeywords["package_data"] = {"openmm" : [],
"openmm.app" : ['data/*.xml', 'data/*.pdb', 'data/amber14/*.xml', 'data/amber19/*.xml', 'data/charmm36/*.xml', 'data/implicit/*.xml'],
"openmm.app" : ['data/*.xml', 'data/*.pdb', 'data/amber14/*.xml', 'data/amber19/*.xml', 'data/charmm36/*.xml', 'data/charmm36_2024/*.xml', 'data/implicit/*.xml'],
"openmm.app.internal" : []}
setupKeywords["install_requires"] = ["numpy"]
setupKeywords["platforms"] = ["Linux", "Mac OS X", "Windows"]
......
wrappers/python/tests/TestForceField.py
View file @ be646878
......@@ -1386,6 +1386,66 @@ ATOM 20 OT2 HIS 1A -0.864 1.172 -1.737 1.00 0.00 O
END"""))
# If the check is not done correctly, this will throw an exception.
ff.createSystem(pdb.topology)
def test_CharmmLoad(self):
"""Tests that the CHARMM force fields are capable of parameterizing systems."""
charmm_models = ("charmm36", "charmm36_2024")
water_models_3 = ("water", "spce", "tip3p-pme-b", "tip3p-pme-f")
water_models_4 = ("tip4p2005", "tip4pew")
water_models_5 = ("tip5p", "tip5pew")
# Checks that the numbers of various types of terms in a system matches expected counts.
def check_system(system, particle_count, site_count, constraint_count, bond_count, angle_count, cmap_count, exception_count, override_count, drude_count, screen_count):
self.assertEqual(particle_count, system.getNumParticles())
self.assertEqual(site_count, sum([1 for index in range(system.getNumParticles()) if system.isVirtualSite(index)]))
self.assertEqual(constraint_count, system.getNumConstraints())
self.assertEqual(bond_count, sum([force.getNumBonds() for force in system.getForces() if isinstance(force, HarmonicBondForce)]))
self.assertEqual(angle_count, sum([force.getNumAngles() for force in system.getForces() if isinstance(force, HarmonicAngleForce)]))
self.assertEqual(cmap_count, sum([force.getNumTorsions() for force in system.getForces() if isinstance(force, CMAPTorsionForce)]))
self.assertEqual(exception_count, sum([force.getNumExceptions() for force in system.getForces() if isinstance(force, NonbondedForce)]))
self.assertEqual(override_count, sum([force.getNumBonds() for force in system.getForces() if isinstance(force, CustomBondForce)]))
self.assertEqual(drude_count, sum([force.getNumParticles() for force in system.getForces() if isinstance(force, DrudeForce)]))
self.assertEqual(screen_count, sum([force.getNumScreenedPairs() for force in system.getForces() if isinstance(force, DrudeForce)]))
# Standard 20 amino acids including N- and C-terminal variants.
pdb_20aa = PDBFile("systems/test_charmm_20aa.pdb")
for charmm_model in charmm_models:
check_system(ForceField(f"{charmm_model}.xml").createSystem(pdb_20aa.topology), 1032, 0, 0, 1937, 1833, 20, 5390, 2527, 0, 0)
# Standard 20 amino acids including N- and C-terminal variants (Drude).
pdb_20aa_drude = PDBFile("systems/test_charmm_20aa_drude.pdb")
for drude_model in ("charmm_polar_2019", "charmm_polar_2023"):
check_system(ForceField(f"{drude_model}.xml").createSystem(pdb_20aa_drude.topology), 1794, 241, 0, 2106, 1833, 20, 18162, 7434, 521, 1203)
# Peptide in water with ions.
pdb_peptide_3 = PDBFile("systems/test_charmm_peptide_3.pdb")
pdb_peptide_4 = PDBFile("systems/test_charmm_peptide_4.pdb")
pdb_peptide_5 = PDBFile("systems/test_charmm_peptide_5.pdb")
for charmm_model in charmm_models:
for water_model in water_models_3:
check_system(ForceField(f"{charmm_model}.xml", f"{charmm_model}/{water_model}.xml").createSystem(pdb_peptide_3.topology), 1136, 0, 984, 234, 249, 8, 1727, 353, 0, 0)
for water_model in water_models_4:
check_system(ForceField(f"{charmm_model}.xml", f"{charmm_model}/{water_model}.xml").createSystem(pdb_peptide_4.topology), 1464, 328, 984, 234, 249, 8, 2711, 353, 0, 0)
for water_model in water_models_5:
check_system(ForceField(f"{charmm_model}.xml", f"{charmm_model}/{water_model}.xml").createSystem(pdb_peptide_5.topology), 1792, 656, 984, 234, 249, 8, 4023, 353, 0, 0)
def test_CharmmVersionMismatchCheck(self):
"""
Tests that CHARMM force fields cannot be loaded with the wrong water model versions.
"""
charmm_models = ("charmm36", "charmm36_2024")
water_models = ("water", "spce", "tip3p-pme-b", "tip3p-pme-f", "tip4p2005", "tip4pew", "tip5p", "tip5pew")
for base_charmm_model in charmm_models:
for water_charmm_model in charmm_models:
if base_charmm_model != water_charmm_model:
for water_model in water_models:
with self.assertRaises(Exception):
ForceField(f"{base_charmm_model}.xml", f"{water_charmm_model}/{water_model}.xml")
with self.assertRaises(Exception):
ForceField(f"{water_charmm_model}/{water_model}.xml", f"{base_charmm_model}.xml")
def test_CharmmPolar(self):
"""Test the CHARMM polarizable force field."""
......
wrappers/python/tests/systems/test_charmm_20aa.pdb 0 → 100644
View file @ be646878
REMARK 1 CREATED WITH OPENMM 8.3, 2025-06-23
ATOM 1 N ALA A 1 -1.242 -1.427 0.393 1.00 0.00 N
ATOM 2 H ALA A 1 -2.205 -1.477 0.753 1.00 0.00 H
ATOM 3 H2 ALA A 1 -0.581 -0.977 1.088 1.00 0.00 H
ATOM 4 H3 ALA A 1 -0.794 -2.376 0.341 1.00 0.00 H
ATOM 5 CA ALA A 1 -1.092 -0.807 -0.948 1.00 0.00 C
ATOM 6 HA ALA A 1 -0.055 -0.877 -1.215 1.00 0.00 H
ATOM 7 CB ALA A 1 -1.858 -1.702 -1.952 1.00 0.00 C
ATOM 8 HB1 ALA A 1 -2.948 -1.722 -1.737 1.00 0.00 H
ATOM 9 HB2 ALA A 1 -1.469 -2.743 -1.929 1.00 0.00 H
ATOM 10 HB3 ALA A 1 -1.721 -1.320 -2.988 1.00 0.00 H
ATOM 11 C ALA A 1 -1.563 0.649 -1.072 1.00 0.00 C
ATOM 12 O ALA A 1 -2.721 0.878 -1.399 1.00 0.00 O
ATOM 13 N ALA A 2 -0.771 1.724 -0.826 1.00 0.00 N
ATOM 14 H ALA A 2 -1.205 2.590 -1.056 1.00 0.00 H
ATOM 15 CA ALA A 2 0.544 1.868 -0.213 1.00 0.00 C
ATOM 16 HA ALA A 2 0.400 1.678 0.843 1.00 0.00 H
ATOM 17 CB ALA A 2 1.026 3.325 -0.366 1.00 0.00 C
ATOM 18 HB1 ALA A 2 0.266 4.026 0.040 1.00 0.00 H
ATOM 19 HB2 ALA A 2 1.188 3.569 -1.439 1.00 0.00 H
ATOM 20 HB3 ALA A 2 1.978 3.495 0.181 1.00 0.00 H
ATOM 21 C ALA A 2 1.639 0.911 -0.661 1.00 0.00 C
ATOM 22 O ALA A 2 1.696 0.477 -1.808 1.00 0.00 O
ATOM 23 N ALA A 3 2.472 0.500 0.311 1.00 0.00 N
ATOM 24 H ALA A 3 2.505 0.958 1.189 1.00 0.00 H
ATOM 25 CA ALA A 3 2.827 -0.896 0.424 1.00 0.00 C
ATOM 26 HA ALA A 3 3.043 -1.313 -0.552 1.00 0.00 H
ATOM 27 CB ALA A 3 4.029 -1.076 1.368 1.00 0.00 C
ATOM 28 HB1 ALA A 3 4.279 -2.155 1.465 1.00 0.00 H
ATOM 29 HB2 ALA A 3 4.914 -0.539 0.968 1.00 0.00 H
ATOM 30 HB3 ALA A 3 3.792 -0.678 2.378 1.00 0.00 H
ATOM 31 C ALA A 3 1.577 -1.609 1.006 1.00 0.00 C
ATOM 32 O ALA A 3 0.897 -1.007 1.889 1.00 0.00 O
ATOM 33 OXT ALA A 3 1.161 -2.669 0.465 1.00 0.00 O
TER 34 ALA A 3
ATOM 35 N CYS B 1 -2.703 -0.955 20.737 1.00 0.00 N
ATOM 36 H CYS B 1 -2.063 -0.228 21.156 1.00 0.00 H
ATOM 37 H2 CYS B 1 -3.355 -1.276 21.477 1.00 0.00 H
ATOM 38 H3 CYS B 1 -3.214 -0.519 19.947 1.00 0.00 H
ATOM 39 CA CYS B 1 -1.861 -2.105 20.277 1.00 0.00 C
ATOM 40 HA CYS B 1 -2.564 -2.845 19.918 1.00 0.00 H
ATOM 41 CB CYS B 1 -1.124 -2.788 21.465 1.00 0.00 C
ATOM 42 HB3 CYS B 1 -0.494 -3.611 21.048 1.00 0.00 H
ATOM 43 HB2 CYS B 1 -0.416 -2.090 21.955 1.00 0.00 H
ATOM 44 SG CYS B 1 -2.264 -3.506 22.699 1.00 0.00 S
ATOM 45 HG CYS B 1 -1.328 -4.188 23.353 1.00 0.00 H
ATOM 46 C CYS B 1 -0.977 -1.872 19.061 1.00 0.00 C
ATOM 47 O CYS B 1 -1.102 -2.640 18.117 1.00 0.00 O
ATOM 48 N CYS B 2 -0.118 -0.838 18.916 1.00 0.00 N
ATOM 49 H CYS B 2 0.486 -0.986 18.132 1.00 0.00 H
ATOM 50 CA CYS B 2 0.253 0.360 19.676 1.00 0.00 C
ATOM 51 HA CYS B 2 1.306 0.458 19.484 1.00 0.00 H
ATOM 52 CB CYS B 2 -0.335 1.655 19.034 1.00 0.00 C
ATOM 53 HB3 CYS B 2 0.242 1.836 18.099 1.00 0.00 H
ATOM 54 HB2 CYS B 2 -0.139 2.535 19.686 1.00 0.00 H
ATOM 55 SG CYS B 2 -2.110 1.544 18.603 1.00 0.00 S
ATOM 56 HG CYS B 2 -1.906 0.955 17.429 1.00 0.00 H
ATOM 57 C CYS B 2 0.147 0.428 21.204 1.00 0.00 C
ATOM 58 O CYS B 2 -0.919 0.743 21.734 1.00 0.00 O
ATOM 59 N CYS B 3 1.188 0.152 22.015 1.00 0.00 N
ATOM 60 H CYS B 3 1.031 0.316 22.980 1.00 0.00 H
ATOM 61 CA CYS B 3 2.480 -0.463 21.716 1.00 0.00 C
ATOM 62 HA CYS B 3 2.714 -1.053 22.590 1.00 0.00 H
ATOM 63 CB CYS B 3 3.657 0.554 21.598 1.00 0.00 C
ATOM 64 HB3 CYS B 3 3.733 1.090 22.568 1.00 0.00 H
ATOM 65 HB2 CYS B 3 4.596 -0.029 21.471 1.00 0.00 H
ATOM 66 SG CYS B 3 3.507 1.769 20.247 1.00 0.00 S
ATOM 67 HG CYS B 3 3.544 0.800 19.330 1.00 0.00 H
ATOM 68 C CYS B 3 2.459 -1.515 20.579 1.00 0.00 C
ATOM 69 O CYS B 3 3.029 -1.253 19.489 1.00 0.00 O
ATOM 70 OXT CYS B 3 1.793 -2.562 20.789 1.00 0.00 O
TER 71 CYS B 3
ATOM 72 N ASP C 1 5.491 9.923 41.402 1.00 0.00 N
ATOM 73 H ASP C 1 4.728 10.034 42.088 1.00 0.00 H
ATOM 74 H2 ASP C 1 6.176 9.190 41.726 1.00 0.00 H
ATOM 75 H3 ASP C 1 5.971 10.870 41.322 1.00 0.00 H
ATOM 76 CA ASP C 1 4.993 9.441 40.084 1.00 0.00 C
ATOM 77 HA ASP C 1 4.204 8.738 40.318 1.00 0.00 H
ATOM 78 CB ASP C 1 6.082 8.632 39.321 1.00 0.00 C
ATOM 79 HB3 ASP C 1 7.001 9.226 39.152 1.00 0.00 H
ATOM 80 HB2 ASP C 1 5.698 8.293 38.334 1.00 0.00 H
ATOM 81 CG ASP C 1 6.458 7.407 40.123 1.00 0.00 C
ATOM 82 OD1 ASP C 1 6.594 6.300 39.554 1.00 0.00 O
ATOM 83 OD2 ASP C 1 6.706 7.554 41.351 1.00 0.00 O
ATOM 84 C ASP C 1 4.279 10.487 39.238 1.00 0.00 C
ATOM 85 O ASP C 1 3.067 10.388 39.088 1.00 0.00 O
ATOM 86 N ASP C 2 4.910 11.525 38.660 1.00 0.00 N
ATOM 87 H ASP C 2 4.328 12.100 38.090 1.00 0.00 H
ATOM 88 CA ASP C 2 6.290 11.974 38.707 1.00 0.00 C
ATOM 89 HA ASP C 2 6.921 11.304 39.268 1.00 0.00 H
ATOM 90 CB ASP C 2 6.287 13.401 39.310 1.00 0.00 C
ATOM 91 HB3 ASP C 2 5.429 13.977 38.906 1.00 0.00 H
ATOM 92 HB2 ASP C 2 7.209 13.945 39.054 1.00 0.00 H
ATOM 93 CG ASP C 2 6.222 13.433 40.821 1.00 0.00 C
ATOM 94 OD1 ASP C 2 6.171 14.575 41.347 1.00 0.00 O
ATOM 95 OD2 ASP C 2 6.294 12.355 41.462 1.00 0.00 O
ATOM 96 C ASP C 2 6.825 12.022 37.268 1.00 0.00 C
ATOM 97 O ASP C 2 6.118 11.648 36.336 1.00 0.00 O
ATOM 98 N ASP C 3 8.061 12.479 36.980 1.00 0.00 N
ATOM 99 H ASP C 3 8.275 12.544 36.014 1.00 0.00 H
ATOM 100 CA ASP C 3 9.184 12.750 37.856 1.00 0.00 C
ATOM 101 HA ASP C 3 8.880 12.736 38.894 1.00 0.00 H
ATOM 102 CB ASP C 3 9.906 14.098 37.519 1.00 0.00 C
ATOM 103 HB3 ASP C 3 10.891 14.131 38.029 1.00 0.00 H
ATOM 104 HB2 ASP C 3 10.062 14.173 36.424 1.00 0.00 H
ATOM 105 CG ASP C 3 9.137 15.325 37.971 1.00 0.00 C
ATOM 106 OD1 ASP C 3 9.624 16.034 38.891 1.00 0.00 O
ATOM 107 OD2 ASP C 3 8.016 15.593 37.467 1.00 0.00 O
ATOM 108 C ASP C 3 10.213 11.609 37.688 1.00 0.00 C
ATOM 109 O ASP C 3 10.684 11.047 38.709 1.00 0.00 O
ATOM 110 OXT ASP C 3 10.649 11.307 36.547 1.00 0.00 O
TER 111 ASP C 3
ATOM 112 N GLU D 1 -0.052 23.573 8.702 1.00 0.00 N
ATOM 113 H GLU D 1 -0.480 23.035 9.503 1.00 0.00 H
ATOM 114 H2 GLU D 1 0.622 24.224 9.184 1.00 0.00 H
ATOM 115 H3 GLU D 1 0.527 22.951 8.070 1.00 0.00 H
ATOM 116 CA GLU D 1 -1.156 24.289 8.013 1.00 0.00 C
ATOM 117 HA GLU D 1 -1.937 23.549 7.914 1.00 0.00 H
ATOM 118 CB GLU D 1 -1.750 25.414 8.914 1.00 0.00 C
ATOM 119 HB3 GLU D 1 -0.941 26.020 9.376 1.00 0.00 H
ATOM 120 HB2 GLU D 1 -2.354 26.095 8.271 1.00 0.00 H
ATOM 121 CG GLU D 1 -2.719 24.911 10.020 1.00 0.00 C
ATOM 122 HG3 GLU D 1 -3.499 24.247 9.598 1.00 0.00 H
ATOM 123 HG2 GLU D 1 -3.221 25.788 10.484 1.00 0.00 H
ATOM 124 CD GLU D 1 -1.999 24.153 11.125 1.00 0.00 C
ATOM 125 OE1 GLU D 1 -1.864 24.715 12.241 1.00 0.00 O
ATOM 126 OE2 GLU D 1 -1.523 23.023 10.846 1.00 0.00 O
ATOM 127 C GLU D 1 -0.884 24.683 6.568 1.00 0.00 C
ATOM 128 O GLU D 1 -1.373 24.003 5.672 1.00 0.00 O
ATOM 129 N GLU D 2 -0.110 25.735 6.226 1.00 0.00 N
ATOM 130 H GLU D 2 0.246 25.675 5.295 1.00 0.00 H
ATOM 131 CA GLU D 2 0.210 26.972 6.922 1.00 0.00 C
ATOM 132 HA GLU D 2 -0.667 27.302 7.456 1.00 0.00 H
ATOM 133 CB GLU D 2 0.528 28.093 5.894 1.00 0.00 C
ATOM 134 HB3 GLU D 2 1.288 27.707 5.179 1.00 0.00 H
ATOM 135 HB2 GLU D 2 0.965 28.975 6.417 1.00 0.00 H
ATOM 136 CG GLU D 2 -0.731 28.580 5.125 1.00 0.00 C
ATOM 137 HG3 GLU D 2 -1.449 29.044 5.832 1.00 0.00 H
ATOM 138 HG2 GLU D 2 -1.230 27.717 4.637 1.00 0.00 H
ATOM 139 CD GLU D 2 -0.411 29.589 4.038 1.00 0.00 C
ATOM 140 OE1 GLU D 2 0.225 29.216 3.015 1.00 0.00 O
ATOM 141 OE2 GLU D 2 -0.844 30.774 4.131 1.00 0.00 O
ATOM 142 C GLU D 2 1.317 26.881 7.963 1.00 0.00 C
ATOM 143 O GLU D 2 1.410 27.755 8.820 1.00 0.00 O
ATOM 144 N GLU D 3 2.139 25.814 7.927 1.00 0.00 N
ATOM 145 H GLU D 3 2.085 25.177 7.148 1.00 0.00 H
ATOM 146 CA GLU D 3 3.133 25.466 8.938 1.00 0.00 C
ATOM 147 HA GLU D 3 3.889 26.236 8.937 1.00 0.00 H
ATOM 148 CB GLU D 3 3.768 24.050 8.691 1.00 0.00 C
ATOM 149 HB3 GLU D 3 3.196 23.266 9.240 1.00 0.00 H
ATOM 150 HB2 GLU D 3 4.784 24.068 9.143 1.00 0.00 H
ATOM 151 CG GLU D 3 3.875 23.558 7.222 1.00 0.00 C
ATOM 152 HG3 GLU D 3 4.355 24.330 6.588 1.00 0.00 H
ATOM 153 HG2 GLU D 3 4.484 22.632 7.178 1.00 0.00 H
ATOM 154 CD GLU D 3 2.508 23.212 6.643 1.00 0.00 C
ATOM 155 OE1 GLU D 3 1.785 22.357 7.219 1.00 0.00 O
ATOM 156 OE2 GLU D 3 2.112 23.921 5.686 1.00 0.00 O
ATOM 157 C GLU D 3 2.497 25.402 10.356 1.00 0.00 C
ATOM 158 O GLU D 3 2.962 26.077 11.309 1.00 0.00 O
ATOM 159 OXT GLU D 3 1.513 24.633 10.516 1.00 0.00 O
TER 160 GLU D 3
ATOM 161 N PHE E 1 0.604 25.320 12.866 1.00 0.00 N
ATOM 162 H PHE E 1 0.767 26.342 12.891 1.00 0.00 H
ATOM 163 H2 PHE E 1 1.181 24.962 12.052 1.00 0.00 H
ATOM 164 H3 PHE E 1 -0.409 25.121 12.619 1.00 0.00 H
ATOM 165 CA PHE E 1 0.967 24.683 14.155 1.00 0.00 C
ATOM 166 HA PHE E 1 0.257 23.880 14.307 1.00 0.00 H
ATOM 167 CB PHE E 1 2.433 24.139 14.096 1.00 0.00 C
ATOM 168 HB3 PHE E 1 3.009 24.566 13.248 1.00 0.00 H
ATOM 169 HB2 PHE E 1 2.996 24.384 15.023 1.00 0.00 H
ATOM 170 CG PHE E 1 2.433 22.641 13.934 1.00 0.00 C
ATOM 171 CD1 PHE E 1 1.798 22.038 12.835 1.00 0.00 C
ATOM 172 HD1 PHE E 1 1.302 22.645 12.089 1.00 0.00 H
ATOM 173 CE1 PHE E 1 1.801 20.647 12.683 1.00 0.00 C
ATOM 174 HE1 PHE E 1 1.307 20.207 11.828 1.00 0.00 H
ATOM 175 CZ PHE E 1 2.441 19.841 13.633 1.00 0.00 C
ATOM 176 HZ PHE E 1 2.448 18.768 13.511 1.00 0.00 H
ATOM 177 CD2 PHE E 1 3.087 21.822 14.872 1.00 0.00 C
ATOM 178 HD2 PHE E 1 3.594 22.276 15.712 1.00 0.00 H
ATOM 179 CE2 PHE E 1 3.084 20.430 14.729 1.00 0.00 C
ATOM 180 HE2 PHE E 1 3.585 19.814 15.461 1.00 0.00 H
ATOM 181 C PHE E 1 0.753 25.679 15.291 1.00 0.00 C
ATOM 182 O PHE E 1 0.590 26.872 15.050 1.00 0.00 O
ATOM 183 N PHE E 2 0.706 25.289 16.580 1.00 0.00 N
ATOM 184 H PHE E 2 0.524 26.020 17.231 1.00 0.00 H
ATOM 185 CA PHE E 2 0.979 23.983 17.159 1.00 0.00 C
ATOM 186 HA PHE E 2 1.452 23.354 16.423 1.00 0.00 H
ATOM 187 CB PHE E 2 -0.303 23.268 17.669 1.00 0.00 C
ATOM 188 HB3 PHE E 2 -0.061 22.384 18.299 1.00 0.00 H
ATOM 189 HB2 PHE E 2 -0.944 23.958 18.257 1.00 0.00 H
ATOM 190 CG PHE E 2 -1.062 22.770 16.474 1.00 0.00 C
ATOM 191 CD1 PHE E 2 -2.152 23.487 15.956 1.00 0.00 C
ATOM 192 HD1 PHE E 2 -2.477 24.395 16.440 1.00 0.00 H
ATOM 193 CE1 PHE E 2 -2.775 23.070 14.774 1.00 0.00 C
ATOM 194 HE1 PHE E 2 -3.569 23.659 14.338 1.00 0.00 H
ATOM 195 CZ PHE E 2 -2.323 21.923 14.110 1.00 0.00 C
ATOM 196 HZ PHE E 2 -2.771 21.636 13.168 1.00 0.00 H
ATOM 197 CD2 PHE E 2 -0.636 21.602 15.818 1.00 0.00 C
ATOM 198 HD2 PHE E 2 0.210 21.051 16.199 1.00 0.00 H
ATOM 199 CE2 PHE E 2 -1.259 21.182 14.637 1.00 0.00 C
ATOM 200 HE2 PHE E 2 -0.896 20.311 14.111 1.00 0.00 H
ATOM 201 C PHE E 2 2.018 24.098 18.257 1.00 0.00 C
ATOM 202 O PHE E 2 3.210 23.917 18.015 1.00 0.00 O
ATOM 203 N PHE E 3 1.570 24.392 19.485 1.00 0.00 N
ATOM 204 H PHE E 3 0.617 24.594 19.715 1.00 0.00 H
ATOM 205 CA PHE E 3 2.365 24.469 20.681 1.00 0.00 C
ATOM 206 HA PHE E 3 3.195 25.137 20.503 1.00 0.00 H
ATOM 207 CB PHE E 3 2.899 23.076 21.146 1.00 0.00 C
ATOM 208 HB3 PHE E 3 3.764 22.809 20.503 1.00 0.00 H
ATOM 209 HB2 PHE E 3 3.249 23.135 22.197 1.00 0.00 H
ATOM 210 CG PHE E 3 1.863 21.978 21.039 1.00 0.00 C
ATOM 211 CD1 PHE E 3 0.776 21.925 21.927 1.00 0.00 C
ATOM 212 HD1 PHE E 3 0.674 22.695 22.679 1.00 0.00 H
ATOM 213 CE1 PHE E 3 -0.184 20.911 21.824 1.00 0.00 C
ATOM 214 HE1 PHE E 3 -1.023 20.898 22.503 1.00 0.00 H
ATOM 215 CZ PHE E 3 -0.059 19.927 20.834 1.00 0.00 C
ATOM 216 HZ PHE E 3 -0.803 19.149 20.749 1.00 0.00 H
ATOM 217 CD2 PHE E 3 1.982 20.977 20.057 1.00 0.00 C
ATOM 218 HD2 PHE E 3 2.812 21.012 19.367 1.00 0.00 H
ATOM 219 CE2 PHE E 3 1.026 19.959 19.950 1.00 0.00 C
ATOM 220 HE2 PHE E 3 1.123 19.205 19.183 1.00 0.00 H
ATOM 221 C PHE E 3 1.485 25.154 21.761 1.00 0.00 C
ATOM 222 O PHE E 3 2.009 25.430 22.873 1.00 0.00 O
ATOM 223 OXT PHE E 3 0.283 25.418 21.471 1.00 0.00 O
TER 224 PHE E 3
ATOM 225 N GLY F 1 6.970 16.518 39.722 1.00 0.00 N
ATOM 226 H GLY F 1 7.888 16.755 40.140 1.00 0.00 H
ATOM 227 H2 GLY F 1 6.502 15.791 40.337 1.00 0.00 H
ATOM 228 H3 GLY F 1 7.252 16.041 38.815 1.00 0.00 H
ATOM 229 CA GLY F 1 6.105 17.689 39.412 1.00 0.00 C
ATOM 230 HA3 GLY F 1 5.768 18.100 40.352 1.00 0.00 H
ATOM 231 HA2 GLY F 1 6.706 18.370 38.831 1.00 0.00 H
ATOM 232 C GLY F 1 4.875 17.317 38.621 1.00 0.00 C
ATOM 233 O GLY F 1 4.223 16.324 38.915 1.00 0.00 O
ATOM 234 N GLY F 2 4.454 18.058 37.575 1.00 0.00 N
ATOM 235 H GLY F 2 3.640 17.681 37.141 1.00 0.00 H
ATOM 236 CA GLY F 2 4.988 19.300 37.012 1.00 0.00 C
ATOM 237 HA3 GLY F 2 4.463 19.467 36.083 1.00 0.00 H
ATOM 238 HA2 GLY F 2 6.051 19.180 36.863 1.00 0.00 H
ATOM 239 C GLY F 2 4.781 20.530 37.866 1.00 0.00 C
ATOM 240 O GLY F 2 4.867 20.481 39.089 1.00 0.00 O
ATOM 241 N GLY F 3 4.531 21.683 37.220 1.00 0.00 N
ATOM 242 H GLY F 3 4.454 21.758 36.226 1.00 0.00 H
ATOM 243 CA GLY F 3 4.250 22.945 37.878 1.00 0.00 C
ATOM 244 HA3 GLY F 3 5.166 23.334 38.298 1.00 0.00 H
ATOM 245 HA2 GLY F 3 3.464 22.799 38.603 1.00 0.00 H
ATOM 246 C GLY F 3 3.739 23.947 36.840 1.00 0.00 C
ATOM 247 O GLY F 3 3.340 25.081 37.217 1.00 0.00 O
ATOM 248 OXT GLY F 3 3.710 23.621 35.621 1.00 0.00 O
TER 249 GLY F 3
ATOM 250 N HIS G 1 -0.593 31.233 1.561 1.00 0.00 N
ATOM 251 H HIS G 1 -0.700 31.270 2.618 1.00 0.00 H
ATOM 252 H2 HIS G 1 -0.237 30.251 1.487 1.00 0.00 H
ATOM 253 H3 HIS G 1 -1.560 31.322 1.176 1.00 0.00 H
ATOM 254 CA HIS G 1 0.392 32.254 1.123 1.00 0.00 C
ATOM 255 HA HIS G 1 0.475 32.158 0.050 1.00 0.00 H
ATOM 256 CB HIS G 1 1.801 31.983 1.764 1.00 0.00 C
ATOM 257 HB3 HIS G 1 1.945 30.897 1.953 1.00 0.00 H
ATOM 258 HB2 HIS G 1 2.568 32.276 1.013 1.00 0.00 H
ATOM 259 ND1 HIS G 1 2.625 34.028 3.026 1.00 0.00 N
ATOM 260 HD1 HIS G 1 2.756 34.627 2.221 1.00 0.00 H
ATOM 261 CG HIS G 1 2.140 32.737 3.024 1.00 0.00 C
ATOM 262 CE1 HIS G 1 2.805 34.383 4.318 1.00 0.00 C
ATOM 263 HE1 HIS G 1 3.116 35.383 4.624 1.00 0.00 H
ATOM 264 NE2 HIS G 1 2.502 33.402 5.142 1.00 0.00 N
ATOM 265 CD2 HIS G 1 2.095 32.356 4.332 1.00 0.00 C
ATOM 266 HD2 HIS G 1 1.783 31.414 4.769 1.00 0.00 H
ATOM 267 C HIS G 1 -0.191 33.627 1.390 1.00 0.00 C
ATOM 268 O HIS G 1 -0.525 34.332 0.444 1.00 0.00 O
ATOM 269 N HIS G 2 -0.421 33.984 2.674 1.00 0.00 N
ATOM 270 H HIS G 2 -0.046 33.439 3.424 1.00 0.00 H
ATOM 271 CA HIS G 2 -1.211 35.130 3.098 1.00 0.00 C
ATOM 272 HA HIS G 2 -1.316 35.019 4.166 1.00 0.00 H
ATOM 273 CB HIS G 2 -2.646 35.101 2.488 1.00 0.00 C
ATOM 274 HB3 HIS G 2 -2.647 35.527 1.462 1.00 0.00 H
ATOM 275 HB2 HIS G 2 -3.343 35.700 3.112 1.00 0.00 H
ATOM 276 ND1 HIS G 2 -3.201 32.739 3.340 1.00 0.00 N
ATOM 277 HD1 HIS G 2 -2.945 32.867 4.300 1.00 0.00 H
ATOM 278 CG HIS G 2 -3.145 33.683 2.333 1.00 0.00 C
ATOM 279 CE1 HIS G 2 -3.445 31.542 2.754 1.00 0.00 C
ATOM 280 HE1 HIS G 2 -3.485 30.606 3.318 1.00 0.00 H
ATOM 281 NE2 HIS G 2 -3.534 31.651 1.439 1.00 0.00 N
ATOM 282 CD2 HIS G 2 -3.382 33.003 1.178 1.00 0.00 C
ATOM 283 HD2 HIS G 2 -3.388 33.369 0.157 1.00 0.00 H
ATOM 284 C HIS G 2 -0.460 36.444 2.907 1.00 0.00 C
ATOM 285 O HIS G 2 0.590 36.649 3.514 1.00 0.00 O
ATOM 286 N HIS G 3 -0.975 37.360 2.076 1.00 0.00 N
ATOM 287 H HIS G 3 -1.881 37.312 1.659 1.00 0.00 H
ATOM 288 CA HIS G 3 -0.351 38.614 1.745 1.00 0.00 C
ATOM 289 HA HIS G 3 0.161 39.014 2.608 1.00 0.00 H
ATOM 290 CB HIS G 3 0.583 38.489 0.515 1.00 0.00 C
ATOM 291 HB3 HIS G 3 -0.024 38.147 -0.351 1.00 0.00 H
ATOM 292 HB2 HIS G 3 0.998 39.490 0.266 1.00 0.00 H
ATOM 293 ND1 HIS G 3 2.788 37.749 1.538 1.00 0.00 N
ATOM 294 HD1 HIS G 3 2.864 38.525 2.164 1.00 0.00 H
ATOM 295 CG HIS G 3 1.707 37.510 0.720 1.00 0.00 C
ATOM 296 CE1 HIS G 3 3.601 36.671 1.451 1.00 0.00 C
ATOM 297 HE1 HIS G 3 4.532 36.580 2.011 1.00 0.00 H
ATOM 298 NE2 HIS G 3 3.121 35.754 0.632 1.00 0.00 N
ATOM 299 CD2 HIS G 3 1.930 36.290 0.160 1.00 0.00 C
ATOM 300 HD2 HIS G 3 1.324 35.751 -0.557 1.00 0.00 H
ATOM 301 C HIS G 3 -1.485 39.591 1.374 1.00 0.00 C
ATOM 302 O HIS G 3 -1.186 40.803 1.215 1.00 0.00 O
ATOM 303 OXT HIS G 3 -2.649 39.123 1.228 1.00 0.00 O
TER 304 HIS G 3
ATOM 305 N ILE H 1 -1.123 36.890 19.292 1.00 0.00 N
ATOM 306 H ILE H 1 -0.665 37.016 18.370 1.00 0.00 H
ATOM 307 H2 ILE H 1 -1.576 35.954 19.332 1.00 0.00 H
ATOM 308 H3 ILE H 1 -1.861 37.615 19.445 1.00 0.00 H
ATOM 309 CA ILE H 1 -0.138 36.988 20.424 1.00 0.00 C
ATOM 310 HA ILE H 1 0.542 37.800 20.201 1.00 0.00 H
ATOM 311 CB ILE H 1 0.644 35.679 20.551 1.00 0.00 C
ATOM 312 HB ILE H 1 1.342 35.758 21.420 1.00 0.00 H
ATOM 313 CG2 ILE H 1 -0.302 34.479 20.801 1.00 0.00 C
ATOM 314 HG21 ILE H 1 0.299 33.566 21.013 1.00 0.00 H
ATOM 315 HG22 ILE H 1 -0.931 34.244 19.918 1.00 0.00 H
ATOM 316 HG23 ILE H 1 -0.960 34.638 21.682 1.00 0.00 H
ATOM 317 CG1 ILE H 1 1.549 35.457 19.313 1.00 0.00 C
ATOM 318 HG13 ILE H 1 2.088 36.403 19.075 1.00 0.00 H
ATOM 319 HG12 ILE H 1 0.936 35.180 18.426 1.00 0.00 H
ATOM 320 CD1 ILE H 1 2.606 34.368 19.534 1.00 0.00 C
ATOM 321 HD11 ILE H 1 2.136 33.375 19.700 1.00 0.00 H
ATOM 322 HD12 ILE H 1 3.267 34.280 18.643 1.00 0.00 H
ATOM 323 HD13 ILE H 1 3.246 34.601 20.412 1.00 0.00 H
ATOM 324 C ILE H 1 -0.879 37.397 21.684 1.00 0.00 C
ATOM 325 O ILE H 1 -1.982 37.914 21.547 1.00 0.00 O
ATOM 326 N ILE H 2 -0.317 37.211 22.901 1.00 0.00 N
ATOM 327 H ILE H 2 0.583 36.804 23.022 1.00 0.00 H
ATOM 328 CA ILE H 2 -0.984 37.567 24.152 1.00 0.00 C
ATOM 329 HA ILE H 2 -1.926 38.043 23.912 1.00 0.00 H
ATOM 330 CB ILE H 2 -0.229 38.607 24.988 1.00 0.00 C
ATOM 331 HB ILE H 2 0.809 38.257 25.182 1.00 0.00 H
ATOM 332 CG2 ILE H 2 -0.114 39.910 24.161 1.00 0.00 C
ATOM 333 HG21 ILE H 2 0.374 40.702 24.768 1.00 0.00 H
ATOM 334 HG22 ILE H 2 -1.118 40.274 23.856 1.00 0.00 H
ATOM 335 HG23 ILE H 2 0.497 39.753 23.249 1.00 0.00 H
ATOM 336 CG1 ILE H 2 -0.877 38.890 26.373 1.00 0.00 C
ATOM 337 HG13 ILE H 2 -0.809 37.976 27.005 1.00 0.00 H
ATOM 338 HG12 ILE H 2 -0.261 39.668 26.878 1.00 0.00 H
ATOM 339 CD1 ILE H 2 -2.337 39.364 26.328 1.00 0.00 C
ATOM 340 HD11 ILE H 2 -2.436 40.297 25.733 1.00 0.00 H
ATOM 341 HD12 ILE H 2 -2.994 38.589 25.879 1.00 0.00 H
ATOM 342 HD13 ILE H 2 -2.707 39.570 27.355 1.00 0.00 H
ATOM 343 C ILE H 2 -1.416 36.308 24.907 1.00 0.00 C
ATOM 344 O ILE H 2 -2.599 35.990 24.921 1.00 0.00 O
ATOM 345 N ILE H 3 -0.547 35.511 25.560 1.00 0.00 N
ATOM 346 H ILE H 3 -0.957 34.773 26.084 1.00 0.00 H
ATOM 347 CA ILE H 3 0.903 35.545 25.624 1.00 0.00 C
ATOM 348 HA ILE H 3 1.290 36.251 24.910 1.00 0.00 H
ATOM 349 CB ILE H 3 1.540 34.184 25.326 1.00 0.00 C
ATOM 350 HB ILE H 3 1.224 33.461 26.114 1.00 0.00 H
ATOM 351 CG2 ILE H 3 3.081 34.326 25.367 1.00 0.00 C
ATOM 352 HG21 ILE H 3 3.426 34.685 26.359 1.00 0.00 H
ATOM 353 HG22 ILE H 3 3.572 33.349 25.180 1.00 0.00 H
ATOM 354 HG23 ILE H 3 3.425 35.046 24.596 1.00 0.00 H
ATOM 355 CG1 ILE H 3 1.067 33.626 23.959 1.00 0.00 C
ATOM 356 HG13 ILE H 3 1.426 34.308 23.162 1.00 0.00 H
ATOM 357 HG12 ILE H 3 -0.045 33.609 23.924 1.00 0.00 H
ATOM 358 CD1 ILE H 3 1.558 32.204 23.661 1.00 0.00 C
ATOM 359 HD11 ILE H 3 2.663 32.169 23.557 1.00 0.00 H
ATOM 360 HD12 ILE H 3 1.263 31.508 24.476 1.00 0.00 H
ATOM 361 HD13 ILE H 3 1.116 31.826 22.714 1.00 0.00 H
ATOM 362 C ILE H 3 1.321 36.015 27.031 1.00 0.00 C
ATOM 363 O ILE H 3 1.993 37.074 27.138 1.00 0.00 O
ATOM 364 OXT ILE H 3 0.999 35.341 28.048 1.00 0.00 O
TER 365 ILE H 3
ATOM 366 N LYS I 1 1.658 32.719 31.804 1.00 0.00 N
ATOM 367 H LYS I 1 2.427 32.375 31.202 1.00 0.00 H
ATOM 368 H2 LYS I 1 0.753 32.639 31.303 1.00 0.00 H
ATOM 369 H3 LYS I 1 1.835 33.756 31.977 1.00 0.00 H
ATOM 370 CA LYS I 1 1.627 32.019 33.130 1.00 0.00 C
ATOM 371 HA LYS I 1 2.575 32.223 33.608 1.00 0.00 H
ATOM 372 CB LYS I 1 1.468 30.475 32.949 1.00 0.00 C
ATOM 373 HB3 LYS I 1 2.072 30.153 32.069 1.00 0.00 H
ATOM 374 HB2 LYS I 1 0.411 30.205 32.732 1.00 0.00 H
ATOM 375 CG LYS I 1 1.996 29.653 34.147 1.00 0.00 C
ATOM 376 HG3 LYS I 1 1.412 29.917 35.058 1.00 0.00 H
ATOM 377 HG2 LYS I 1 3.059 29.927 34.336 1.00 0.00 H
ATOM 378 CD LYS I 1 1.916 28.124 33.928 1.00 0.00 C
ATOM 379 HD3 LYS I 1 2.473 27.871 32.997 1.00 0.00 H
ATOM 380 HD2 LYS I 1 0.849 27.844 33.773 1.00 0.00 H
ATOM 381 CE LYS I 1 2.496 27.306 35.101 1.00 0.00 C
ATOM 382 HE3 LYS I 1 1.938 27.526 36.039 1.00 0.00 H
ATOM 383 HE2 LYS I 1 3.566 27.565 35.260 1.00 0.00 H
ATOM 384 NZ LYS I 1 2.417 25.853 34.861 1.00 0.00 N
ATOM 385 HZ1 LYS I 1 3.013 25.516 34.084 1.00 0.00 H
ATOM 386 HZ2 LYS I 1 1.456 25.491 34.761 1.00 0.00 H
ATOM 387 HZ3 LYS I 1 2.831 25.359 35.718 1.00 0.00 H
ATOM 388 C LYS I 1 0.527 32.614 34.001 1.00 0.00 C
ATOM 389 O LYS I 1 -0.639 32.258 33.892 1.00 0.00 O
ATOM 390 N LYS I 2 0.902 33.603 34.828 1.00 0.00 N
ATOM 391 H LYS I 2 1.866 33.901 34.784 1.00 0.00 H
ATOM 392 CA LYS I 2 0.026 34.587 35.428 1.00 0.00 C
ATOM 393 HA LYS I 2 -0.493 35.095 34.625 1.00 0.00 H
ATOM 394 CB LYS I 2 -1.036 34.007 36.411 1.00 0.00 C
ATOM 395 HB3 LYS I 2 -1.566 34.844 36.912 1.00 0.00 H
ATOM 396 HB2 LYS I 2 -1.812 33.475 35.812 1.00 0.00 H
ATOM 397 CG LYS I 2 -0.486 33.003 37.444 1.00 0.00 C
ATOM 398 HG3 LYS I 2 0.589 33.193 37.653 1.00 0.00 H
ATOM 399 HG2 LYS I 2 -0.534 31.991 36.973 1.00 0.00 H
ATOM 400 CD LYS I 2 -1.280 32.978 38.765 1.00 0.00 C
ATOM 401 HD3 LYS I 2 -2.313 33.354 38.597 1.00 0.00 H
ATOM 402 HD2 LYS I 2 -1.382 31.910 39.075 1.00 0.00 H
ATOM 403 CE LYS I 2 -0.598 33.707 39.936 1.00 0.00 C
ATOM 404 HE3 LYS I 2 0.402 33.258 40.128 1.00 0.00 H
ATOM 405 HE2 LYS I 2 -1.212 33.622 40.859 1.00 0.00 H
ATOM 406 NZ LYS I 2 -0.405 35.144 39.644 1.00 0.00 N
ATOM 407 HZ1 LYS I 2 0.143 35.253 38.749 1.00 0.00 H
ATOM 408 HZ2 LYS I 2 -1.318 35.618 39.515 1.00 0.00 H
ATOM 409 HZ3 LYS I 2 0.127 35.607 40.405 1.00 0.00 H
ATOM 410 C LYS I 2 0.878 35.645 36.132 1.00 0.00 C
ATOM 411 O LYS I 2 0.857 35.758 37.359 1.00 0.00 O
ATOM 412 N LYS I 3 1.689 36.466 35.438 1.00 0.00 N
ATOM 413 H LYS I 3 2.298 37.038 35.976 1.00 0.00 H
ATOM 414 CA LYS I 3 1.777 36.717 34.009 1.00 0.00 C
ATOM 415 HA LYS I 3 0.774 36.932 33.670 1.00 0.00 H
ATOM 416 CB LYS I 3 2.659 37.980 33.790 1.00 0.00 C
ATOM 417 HB3 LYS I 3 2.164 38.836 34.301 1.00 0.00 H
ATOM 418 HB2 LYS I 3 3.638 37.807 34.293 1.00 0.00 H
ATOM 419 CG LYS I 3 2.937 38.372 32.326 1.00 0.00 C
ATOM 420 HG3 LYS I 3 3.558 39.296 32.303 1.00 0.00 H
ATOM 421 HG2 LYS I 3 3.570 37.564 31.896 1.00 0.00 H
ATOM 422 CD LYS I 3 1.664 38.597 31.483 1.00 0.00 C
ATOM 423 HD3 LYS I 3 1.327 39.650 31.613 1.00 0.00 H
ATOM 424 HD2 LYS I 3 0.840 37.952 31.858 1.00 0.00 H
ATOM 425 CE LYS I 3 1.814 38.291 29.986 1.00 0.00 C
ATOM 426 HE3 LYS I 3 2.561 38.954 29.500 1.00 0.00 H
ATOM 427 HE2 LYS I 3 0.834 38.414 29.469 1.00 0.00 H
ATOM 428 NZ LYS I 3 2.244 36.897 29.812 1.00 0.00 N
ATOM 429 HZ1 LYS I 3 1.803 36.509 28.921 1.00 0.00 H
ATOM 430 HZ2 LYS I 3 1.950 36.296 30.625 1.00 0.00 H
ATOM 431 HZ3 LYS I 3 3.265 36.834 29.680 1.00 0.00 H
ATOM 432 C LYS I 3 2.290 35.533 33.144 1.00 0.00 C
ATOM 433 O LYS I 3 1.800 35.377 31.992 1.00 0.00 O
ATOM 434 OXT LYS I 3 3.087 34.690 33.627 1.00 0.00 O
TER 435 LYS I 3
ATOM 436 N LEU J 1 16.345 0.157 -0.850 1.00 0.00 N
ATOM 437 H LEU J 1 16.558 -0.435 -1.696 1.00 0.00 H
ATOM 438 H2 LEU J 1 16.439 -0.115 0.171 1.00 0.00 H
ATOM 439 H3 LEU J 1 15.559 -0.496 -0.777 1.00 0.00 H
ATOM 440 CA LEU J 1 17.860 0.077 -0.787 1.00 0.00 C
ATOM 441 HA LEU J 1 18.282 1.006 -1.155 1.00 0.00 H
ATOM 442 CB LEU J 1 18.309 -1.115 -1.671 1.00 0.00 C
ATOM 443 HB3 LEU J 1 17.960 -2.095 -1.281 1.00 0.00 H
ATOM 444 HB2 LEU J 1 19.425 -1.146 -1.625 1.00 0.00 H
ATOM 445 CG LEU J 1 17.952 -0.991 -3.174 1.00 0.00 C
ATOM 446 HG LEU J 1 18.024 0.085 -3.471 1.00 0.00 H
ATOM 447 CD1 LEU J 1 16.558 -1.528 -3.542 1.00 0.00 C
ATOM 448 HD11 LEU J 1 15.728 -0.907 -3.156 1.00 0.00 H
ATOM 449 HD12 LEU J 1 16.457 -1.541 -4.651 1.00 0.00 H
ATOM 450 HD13 LEU J 1 16.439 -2.576 -3.191 1.00 0.00 H
ATOM 451 CD2 LEU J 1 19.005 -1.728 -4.015 1.00 0.00 C
ATOM 452 HD21 LEU J 1 20.014 -1.289 -3.839 1.00 0.00 H
ATOM 453 HD22 LEU J 1 18.784 -1.634 -5.099 1.00 0.00 H
ATOM 454 HD23 LEU J 1 19.044 -2.806 -3.753 1.00 0.00 H
ATOM 455 C LEU J 1 18.270 -0.090 0.655 1.00 0.00 C
ATOM 456 O LEU J 1 17.414 -0.465 1.452 1.00 0.00 O
ATOM 457 N LEU J 2 19.523 0.219 0.982 1.00 0.00 N
ATOM 458 H LEU J 2 20.142 0.486 0.219 1.00 0.00 H
ATOM 459 CA LEU J 2 20.168 0.103 2.278 1.00 0.00 C
ATOM 460 HA LEU J 2 19.697 -0.681 2.855 1.00 0.00 H
ATOM 461 CB LEU J 2 20.224 1.437 3.077 1.00 0.00 C
ATOM 462 HB3 LEU J 2 20.822 2.201 2.535 1.00 0.00 H
ATOM 463 HB2 LEU J 2 20.755 1.220 4.033 1.00 0.00 H
ATOM 464 CG LEU J 2 18.851 2.055 3.427 1.00 0.00 C
ATOM 465 HG LEU J 2 18.098 1.233 3.463 1.00 0.00 H
ATOM 466 CD1 LEU J 2 18.403 3.101 2.393 1.00 0.00 C
ATOM 467 HD11 LEU J 2 18.367 2.671 1.373 1.00 0.00 H
ATOM 468 HD12 LEU J 2 19.115 3.954 2.382 1.00 0.00 H
ATOM 469 HD13 LEU J 2 17.397 3.493 2.651 1.00 0.00 H
ATOM 470 CD2 LEU J 2 18.887 2.703 4.821 1.00 0.00 C
ATOM 471 HD21 LEU J 2 19.158 1.953 5.594 1.00 0.00 H
ATOM 472 HD22 LEU J 2 19.638 3.522 4.846 1.00 0.00 H
ATOM 473 HD23 LEU J 2 17.894 3.129 5.078 1.00 0.00 H
ATOM 474 C LEU J 2 21.575 -0.352 1.941 1.00 0.00 C
ATOM 475 O LEU J 2 22.121 -1.266 2.551 1.00 0.00 O
ATOM 476 N LEU J 3 22.107 0.294 0.886 1.00 0.00 N
ATOM 477 H LEU J 3 21.718 1.164 0.604 1.00 0.00 H
ATOM 478 CA LEU J 3 22.764 -0.282 -0.271 1.00 0.00 C
ATOM 479 HA LEU J 3 23.720 0.210 -0.366 1.00 0.00 H
ATOM 480 CB LEU J 3 23.013 -1.828 -0.280 1.00 0.00 C
ATOM 481 HB3 LEU J 3 23.661 -2.063 -1.153 1.00 0.00 H
ATOM 482 HB2 LEU J 3 23.603 -2.059 0.632 1.00 0.00 H
ATOM 483 CG LEU J 3 21.782 -2.769 -0.328 1.00 0.00 C
ATOM 484 HG LEU J 3 20.889 -2.204 0.019 1.00 0.00 H
ATOM 485 CD1 LEU J 3 21.511 -3.277 -1.753 1.00 0.00 C
ATOM 486 HD11 LEU J 3 21.390 -2.422 -2.450 1.00 0.00 H
ATOM 487 HD12 LEU J 3 20.594 -3.899 -1.784 1.00 0.00 H
ATOM 488 HD13 LEU J 3 22.368 -3.886 -2.110 1.00 0.00 H
ATOM 489 CD2 LEU J 3 21.969 -3.979 0.604 1.00 0.00 C
ATOM 490 HD21 LEU J 3 22.856 -4.568 0.289 1.00 0.00 H
ATOM 491 HD22 LEU J 3 22.126 -3.641 1.650 1.00 0.00 H
ATOM 492 HD23 LEU J 3 21.076 -4.636 0.574 1.00 0.00 H
ATOM 493 C LEU J 3 21.903 0.187 -1.483 1.00 0.00 C
ATOM 494 O LEU J 3 20.852 0.862 -1.250 1.00 0.00 O
ATOM 495 OXT LEU J 3 22.274 -0.105 -2.644 1.00 0.00 O
TER 496 LEU J 3
ATOM 497 N MET K 1 18.203 -1.403 17.866 1.00 0.00 N
ATOM 498 H MET K 1 18.126 -2.333 17.422 1.00 0.00 H
ATOM 499 H2 MET K 1 17.629 -0.712 17.351 1.00 0.00 H
ATOM 500 H3 MET K 1 19.223 -1.092 17.779 1.00 0.00 H
ATOM 501 CA MET K 1 17.820 -1.441 19.305 1.00 0.00 C
ATOM 502 HA MET K 1 18.507 -2.128 19.783 1.00 0.00 H
ATOM 503 CB MET K 1 16.375 -1.996 19.514 1.00 0.00 C
ATOM 504 HB3 MET K 1 16.043 -1.769 20.554 1.00 0.00 H
ATOM 505 HB2 MET K 1 16.425 -3.106 19.447 1.00 0.00 H
ATOM 506 CG MET K 1 15.281 -1.504 18.531 1.00 0.00 C
ATOM 507 HG3 MET K 1 15.335 -0.393 18.472 1.00 0.00 H
ATOM 508 HG2 MET K 1 14.292 -1.730 18.994 1.00 0.00 H
ATOM 509 SD MET K 1 15.294 -2.219 16.851 1.00 0.00 S
ATOM 510 CE MET K 1 14.643 -3.858 17.288 1.00 0.00 C
ATOM 511 HE1 MET K 1 15.327 -4.409 17.967 1.00 0.00 H
ATOM 512 HE2 MET K 1 14.503 -4.481 16.377 1.00 0.00 H
ATOM 513 HE3 MET K 1 13.655 -3.775 17.789 1.00 0.00 H
ATOM 514 C MET K 1 18.024 -0.113 20.017 1.00 0.00 C
ATOM 515 O MET K 1 17.178 0.773 19.977 1.00 0.00 O
ATOM 516 N MET K 2 19.204 0.043 20.631 1.00 0.00 N
ATOM 517 H MET K 2 19.909 -0.666 20.497 1.00 0.00 H
ATOM 518 CA MET K 2 19.721 1.268 21.189 1.00 0.00 C
ATOM 519 HA MET K 2 19.609 2.050 20.452 1.00 0.00 H
ATOM 520 CB MET K 2 18.983 1.700 22.490 1.00 0.00 C
ATOM 521 HB3 MET K 2 19.508 2.574 22.933 1.00 0.00 H
ATOM 522 HB2 MET K 2 17.966 2.048 22.197 1.00 0.00 H
ATOM 523 CG MET K 2 18.804 0.585 23.545 1.00 0.00 C
ATOM 524 HG3 MET K 2 19.795 0.135 23.776 1.00 0.00 H
ATOM 525 HG2 MET K 2 18.181 -0.221 23.101 1.00 0.00 H
ATOM 526 SD MET K 2 18.022 1.135 25.094 1.00 0.00 S
ATOM 527 CE MET K 2 19.471 2.009 25.756 1.00 0.00 C
ATOM 528 HE1 MET K 2 19.274 2.381 26.784 1.00 0.00 H
ATOM 529 HE2 MET K 2 20.356 1.338 25.798 1.00 0.00 H
ATOM 530 HE3 MET K 2 19.739 2.883 25.126 1.00 0.00 H
ATOM 531 C MET K 2 21.228 1.102 21.418 1.00 0.00 C
ATOM 532 O MET K 2 21.725 1.206 22.535 1.00 0.00 O
ATOM 533 N MET K 3 22.047 0.812 20.386 1.00 0.00 N
ATOM 534 H MET K 3 22.991 0.604 20.622 1.00 0.00 H
ATOM 535 CA MET K 3 21.790 0.826 18.955 1.00 0.00 C
ATOM 536 HA MET K 3 21.154 1.675 18.753 1.00 0.00 H
ATOM 537 CB MET K 3 23.103 1.027 18.148 1.00 0.00 C
ATOM 538 HB3 MET K 3 23.568 1.982 18.475 1.00 0.00 H
ATOM 539 HB2 MET K 3 22.825 1.146 17.076 1.00 0.00 H
ATOM 540 CG MET K 3 24.160 -0.102 18.244 1.00 0.00 C
ATOM 541 HG3 MET K 3 24.904 0.087 17.438 1.00 0.00 H
ATOM 542 HG2 MET K 3 23.672 -1.069 17.992 1.00 0.00 H
ATOM 543 SD MET K 3 25.067 -0.236 19.822 1.00 0.00 S
ATOM 544 CE MET K 3 24.298 -1.795 20.352 1.00 0.00 C
ATOM 545 HE1 MET K 3 24.634 -2.078 21.372 1.00 0.00 H
ATOM 546 HE2 MET K 3 23.189 -1.715 20.367 1.00 0.00 H
ATOM 547 HE3 MET K 3 24.563 -2.623 19.661 1.00 0.00 H
ATOM 548 C MET K 3 21.044 -0.412 18.388 1.00 0.00 C
ATOM 549 O MET K 3 20.503 -0.301 17.256 1.00 0.00 O
ATOM 550 OXT MET K 3 20.873 -1.446 19.088 1.00 0.00 O
TER 551 MET K 3
ATOM 552 N ASN L 1 7.847 4.956 41.433 1.00 0.00 N
ATOM 553 H ASN L 1 7.752 3.918 41.520 1.00 0.00 H
ATOM 554 H2 ASN L 1 7.790 5.443 42.345 1.00 0.00 H
ATOM 555 H3 ASN L 1 7.082 5.358 40.810 1.00 0.00 H
ATOM 556 CA ASN L 1 9.107 5.283 40.699 1.00 0.00 C
ATOM 557 HA ASN L 1 8.948 6.260 40.262 1.00 0.00 H
ATOM 558 CB ASN L 1 9.349 4.263 39.540 1.00 0.00 C
ATOM 559 HB3 ASN L 1 8.468 4.274 38.861 1.00 0.00 H
ATOM 560 HB2 ASN L 1 10.236 4.551 38.941 1.00 0.00 H
ATOM 561 CG ASN L 1 9.502 2.838 40.075 1.00 0.00 C
ATOM 562 OD1 ASN L 1 8.613 2.375 40.793 1.00 0.00 O
ATOM 563 ND2 ASN L 1 10.628 2.161 39.783 1.00 0.00 N
ATOM 564 HD21 ASN L 1 11.408 2.644 39.370 1.00 0.00 H
ATOM 565 HD22 ASN L 1 10.715 1.232 40.133 1.00 0.00 H
ATOM 566 C ASN L 1 10.334 5.435 41.567 1.00 0.00 C
ATOM 567 O ASN L 1 10.418 4.913 42.673 1.00 0.00 O
ATOM 568 N ASN L 2 11.322 6.180 41.055 1.00 0.00 N
ATOM 569 H ASN L 2 11.204 6.709 40.214 1.00 0.00 H
ATOM 570 CA ASN L 2 12.639 6.305 41.621 1.00 0.00 C
ATOM 571 HA ASN L 2 12.565 6.413 42.696 1.00 0.00 H
ATOM 572 CB ASN L 2 13.555 5.105 41.226 1.00 0.00 C
ATOM 573 HB3 ASN L 2 13.178 4.198 41.747 1.00 0.00 H
ATOM 574 HB2 ASN L 2 14.603 5.268 41.547 1.00 0.00 H
ATOM 575 CG ASN L 2 13.515 4.794 39.726 1.00 0.00 C
ATOM 576 OD1 ASN L 2 12.796 3.892 39.293 1.00 0.00 O
ATOM 577 ND2 ASN L 2 14.299 5.518 38.898 1.00 0.00 N
ATOM 578 HD21 ASN L 2 14.291 5.263 37.936 1.00 0.00 H
ATOM 579 HD22 ASN L 2 14.810 6.323 39.218 1.00 0.00 H
ATOM 580 C ASN L 2 13.160 7.603 41.050 1.00 0.00 C
ATOM 581 O ASN L 2 12.565 8.128 40.108 1.00 0.00 O
ATOM 582 N ASN L 3 14.275 8.134 41.581 1.00 0.00 N
ATOM 583 H ASN L 3 14.743 7.701 42.345 1.00 0.00 H
ATOM 584 CA ASN L 3 14.915 9.321 41.045 1.00 0.00 C
ATOM 585 HA ASN L 3 14.204 10.131 41.146 1.00 0.00 H
ATOM 586 CB ASN L 3 16.183 9.705 41.857 1.00 0.00 C
ATOM 587 HB3 ASN L 3 15.866 10.051 42.865 1.00 0.00 H
ATOM 588 HB2 ASN L 3 16.727 10.537 41.366 1.00 0.00 H
ATOM 589 CG ASN L 3 17.152 8.544 42.083 1.00 0.00 C
ATOM 590 OD1 ASN L 3 17.568 8.298 43.215 1.00 0.00 O
ATOM 591 ND2 ASN L 3 17.486 7.778 41.024 1.00 0.00 N
ATOM 592 HD21 ASN L 3 16.988 7.916 40.158 1.00 0.00 H
ATOM 593 HD22 ASN L 3 18.138 7.042 41.169 1.00 0.00 H
ATOM 594 C ASN L 3 15.238 9.231 39.526 1.00 0.00 C
ATOM 595 O ASN L 3 15.546 8.117 39.024 1.00 0.00 O
ATOM 596 OXT ASN L 3 15.126 10.274 38.834 1.00 0.00 O
TER 597 ASN L 3
ATOM 598 N PRO M 1 16.443 18.010 -0.787 1.00 0.00 N
ATOM 599 H PRO M 1 16.806 17.313 -0.155 1.00 0.00 H
ATOM 600 H2 PRO M 1 17.265 18.339 -1.302 1.00 0.00 H
ATOM 601 CD PRO M 1 15.365 17.450 -1.667 1.00 0.00 C
ATOM 602 HD3 PRO M 1 15.566 17.709 -2.729 1.00 0.00 H
ATOM 603 HD2 PRO M 1 15.333 16.345 -1.553 1.00 0.00 H
ATOM 604 CA PRO M 1 15.890 19.118 0.036 1.00 0.00 C
ATOM 605 HA PRO M 1 16.041 20.004 -0.560 1.00 0.00 H
ATOM 606 CB PRO M 1 14.431 18.687 0.222 1.00 0.00 C
ATOM 607 HB3 PRO M 1 13.780 19.541 0.504 1.00 0.00 H
ATOM 608 HB2 PRO M 1 14.344 17.895 1.001 1.00 0.00 H
ATOM 609 CG PRO M 1 14.068 18.108 -1.157 1.00 0.00 C
ATOM 610 HG3 PRO M 1 13.226 17.388 -1.101 1.00 0.00 H
ATOM 611 HG2 PRO M 1 13.786 18.937 -1.845 1.00 0.00 H
ATOM 612 C PRO M 1 16.771 19.126 1.260 1.00 0.00 C
ATOM 613 O PRO M 1 16.978 18.025 1.770 1.00 0.00 O
ATOM 614 N PRO M 2 17.313 20.229 1.759 1.00 0.00 N
ATOM 615 CD PRO M 2 16.932 21.594 1.384 1.00 0.00 C
ATOM 616 HD3 PRO M 2 15.873 21.779 1.669 1.00 0.00 H
ATOM 617 HD2 PRO M 2 17.078 21.756 0.291 1.00 0.00 H
ATOM 618 CA PRO M 2 18.494 20.192 2.607 1.00 0.00 C
ATOM 619 HA PRO M 2 18.378 19.426 3.361 1.00 0.00 H
ATOM 620 CB PRO M 2 18.509 21.599 3.231 1.00 0.00 C
ATOM 621 HB3 PRO M 2 17.853 21.587 4.130 1.00 0.00 H
ATOM 622 HB2 PRO M 2 19.522 21.929 3.539 1.00 0.00 H
ATOM 623 CG PRO M 2 17.876 22.515 2.171 1.00 0.00 C
ATOM 624 HG3 PRO M 2 17.346 23.377 2.624 1.00 0.00 H
ATOM 625 HG2 PRO M 2 18.661 22.896 1.483 1.00 0.00 H
ATOM 626 C PRO M 2 19.776 19.834 1.843 1.00 0.00 C
ATOM 627 O PRO M 2 20.474 18.947 2.335 1.00 0.00 O
ATOM 628 N PRO M 3 20.162 20.468 0.738 1.00 0.00 N
ATOM 629 CD PRO M 3 21.256 21.447 0.891 1.00 0.00 C
ATOM 630 HD3 PRO M 3 21.805 21.344 1.857 1.00 0.00 H
ATOM 631 HD2 PRO M 3 20.811 22.463 0.826 1.00 0.00 H
ATOM 632 CA PRO M 3 20.418 19.674 -0.468 1.00 0.00 C
ATOM 633 HA PRO M 3 20.958 18.773 -0.208 1.00 0.00 H
ATOM 634 CB PRO M 3 21.281 20.600 -1.328 1.00 0.00 C
ATOM 635 HB3 PRO M 3 20.646 21.384 -1.797 1.00 0.00 H
ATOM 636 HB2 PRO M 3 21.823 20.040 -2.117 1.00 0.00 H
ATOM 637 CG PRO M 3 22.205 21.226 -0.291 1.00 0.00 C
ATOM 638 HG3 PRO M 3 22.991 20.492 -0.002 1.00 0.00 H
ATOM 639 HG2 PRO M 3 22.680 22.163 -0.644 1.00 0.00 H
ATOM 640 C PRO M 3 19.155 19.269 -1.197 1.00 0.00 C
ATOM 641 O PRO M 3 18.999 18.062 -1.530 1.00 0.00 O
ATOM 642 OXT PRO M 3 18.262 20.129 -1.432 1.00 0.00 O
TER 643 PRO M 3
ATOM 644 N GLN N 1 18.466 18.527 19.326 1.00 0.00 N
ATOM 645 H GLN N 1 19.264 18.517 20.025 1.00 0.00 H
ATOM 646 H2 GLN N 1 18.339 19.517 19.000 1.00 0.00 H
ATOM 647 H3 GLN N 1 18.716 17.897 18.529 1.00 0.00 H
ATOM 648 CA GLN N 1 17.233 18.013 20.018 1.00 0.00 C
ATOM 649 HA GLN N 1 16.461 17.911 19.268 1.00 0.00 H
ATOM 650 CB GLN N 1 17.491 16.620 20.684 1.00 0.00 C
ATOM 651 HB3 GLN N 1 16.645 16.411 21.382 1.00 0.00 H
ATOM 652 HB2 GLN N 1 18.410 16.649 21.309 1.00 0.00 H
ATOM 653 CG GLN N 1 17.545 15.398 19.723 1.00 0.00 C
ATOM 654 HG3 GLN N 1 16.605 15.348 19.133 1.00 0.00 H
ATOM 655 HG2 GLN N 1 17.620 14.463 20.318 1.00 0.00 H
ATOM 656 CD GLN N 1 18.706 15.475 18.726 1.00 0.00 C
ATOM 657 OE1 GLN N 1 18.686 16.298 17.808 1.00 0.00 O
ATOM 658 NE2 GLN N 1 19.755 14.648 18.917 1.00 0.00 N
ATOM 659 HE21 GLN N 1 19.790 14.063 19.721 1.00 0.00 H
ATOM 660 HE22 GLN N 1 20.514 14.714 18.275 1.00 0.00 H
ATOM 661 C GLN N 1 16.689 19.007 21.030 1.00 0.00 C
ATOM 662 O GLN N 1 15.484 19.171 21.189 1.00 0.00 O
ATOM 663 N GLN N 2 17.610 19.742 21.668 1.00 0.00 N
ATOM 664 H GLN N 2 18.572 19.430 21.632 1.00 0.00 H
ATOM 665 CA GLN N 2 17.408 20.906 22.497 1.00 0.00 C
ATOM 666 HA GLN N 2 16.592 20.732 23.186 1.00 0.00 H
ATOM 667 CB GLN N 2 17.251 22.238 21.687 1.00 0.00 C
ATOM 668 HB3 GLN N 2 18.183 22.479 21.129 1.00 0.00 H
ATOM 669 HB2 GLN N 2 17.104 23.047 22.440 1.00 0.00 H
ATOM 670 CG GLN N 2 16.064 22.320 20.683 1.00 0.00 C
ATOM 671 HG3 GLN N 2 15.831 23.395 20.520 1.00 0.00 H
ATOM 672 HG2 GLN N 2 15.172 21.836 21.133 1.00 0.00 H
ATOM 673 CD GLN N 2 16.320 21.702 19.298 1.00 0.00 C
ATOM 674 OE1 GLN N 2 17.348 21.100 18.981 1.00 0.00 O
ATOM 675 NE2 GLN N 2 15.311 21.848 18.406 1.00 0.00 N
ATOM 676 HE21 GLN N 2 15.455 21.489 17.489 1.00 0.00 H
ATOM 677 HE22 GLN N 2 14.468 22.302 18.679 1.00 0.00 H
ATOM 678 C GLN N 2 18.711 20.935 23.268 1.00 0.00 C
ATOM 679 O GLN N 2 18.758 20.907 24.494 1.00 0.00 O
ATOM 680 N GLN N 3 19.801 20.880 22.480 1.00 0.00 N
ATOM 681 H GLN N 3 19.711 21.045 21.504 1.00 0.00 H
ATOM 682 CA GLN N 3 21.032 20.204 22.804 1.00 0.00 C
ATOM 683 HA GLN N 3 21.112 20.071 23.875 1.00 0.00 H
ATOM 684 CB GLN N 3 22.241 21.028 22.277 1.00 0.00 C
ATOM 685 HB3 GLN N 3 22.343 21.925 22.926 1.00 0.00 H
ATOM 686 HB2 GLN N 3 23.158 20.414 22.423 1.00 0.00 H
ATOM 687 CG GLN N 3 22.179 21.513 20.797 1.00 0.00 C
ATOM 688 HG3 GLN N 3 21.447 22.346 20.727 1.00 0.00 H
ATOM 689 HG2 GLN N 3 23.168 21.914 20.494 1.00 0.00 H
ATOM 690 CD GLN N 3 21.737 20.468 19.765 1.00 0.00 C
ATOM 691 OE1 GLN N 3 20.656 20.556 19.176 1.00 0.00 O
ATOM 692 NE2 GLN N 3 22.583 19.439 19.544 1.00 0.00 N
ATOM 693 HE21 GLN N 3 22.276 18.738 18.913 1.00 0.00 H
ATOM 694 HE22 GLN N 3 23.211 19.201 20.282 1.00 0.00 H
ATOM 695 C GLN N 3 21.015 18.784 22.170 1.00 0.00 C
ATOM 696 O GLN N 3 22.007 18.036 22.349 1.00 0.00 O
ATOM 697 OXT GLN N 3 20.034 18.455 21.442 1.00 0.00 O
TER 698 GLN N 3
ATOM 699 N ARG O 1 13.197 12.006 38.356 1.00 0.00 N
ATOM 700 H ARG O 1 12.999 12.620 39.174 1.00 0.00 H
ATOM 701 H2 ARG O 1 12.269 11.679 37.986 1.00 0.00 H
ATOM 702 H3 ARG O 1 13.750 11.172 38.695 1.00 0.00 H
ATOM 703 CA ARG O 1 14.066 12.739 37.389 1.00 0.00 C
ATOM 704 HA ARG O 1 14.926 12.115 37.195 1.00 0.00 H
ATOM 705 CB ARG O 1 13.334 13.054 36.042 1.00 0.00 C
ATOM 706 HB3 ARG O 1 12.240 12.946 36.174 1.00 0.00 H
ATOM 707 HB2 ARG O 1 13.455 14.125 35.764 1.00 0.00 H
ATOM 708 CG ARG O 1 13.771 12.232 34.793 1.00 0.00 C
ATOM 709 HG3 ARG O 1 14.700 12.686 34.379 1.00 0.00 H
ATOM 710 HG2 ARG O 1 12.982 12.358 34.015 1.00 0.00 H
ATOM 711 CD ARG O 1 14.046 10.720 34.943 1.00 0.00 C
ATOM 712 HD3 ARG O 1 15.007 10.578 35.490 1.00 0.00 H
ATOM 713 HD2 ARG O 1 14.129 10.241 33.939 1.00 0.00 H
ATOM 714 NE ARG O 1 12.915 10.079 35.682 1.00 0.00 N
ATOM 715 HE ARG O 1 12.017 10.557 35.770 1.00 0.00 H
ATOM 716 CZ ARG O 1 13.066 9.114 36.583 1.00 0.00 C
ATOM 717 NH1 ARG O 1 14.162 8.397 36.660 1.00 0.00 N
ATOM 718 HH11 ARG O 1 14.506 8.224 37.601 1.00 0.00 H
ATOM 719 HH12 ARG O 1 14.856 8.580 35.990 1.00 0.00 H
ATOM 720 NH2 ARG O 1 12.139 8.971 37.503 1.00 0.00 N
ATOM 721 HH21 ARG O 1 11.387 9.654 37.539 1.00 0.00 H
ATOM 722 HH22 ARG O 1 12.371 8.514 38.365 1.00 0.00 H
ATOM 723 C ARG O 1 14.603 13.965 38.096 1.00 0.00 C
ATOM 724 O ARG O 1 14.263 14.199 39.254 1.00 0.00 O
ATOM 725 N ARG O 2 15.461 14.778 37.450 1.00 0.00 N
ATOM 726 H ARG O 2 15.751 14.601 36.516 1.00 0.00 H
ATOM 727 CA ARG O 2 16.075 15.905 38.126 1.00 0.00 C
ATOM 728 HA ARG O 2 15.897 15.832 39.190 1.00 0.00 H
ATOM 729 CB ARG O 2 15.435 17.234 37.641 1.00 0.00 C
ATOM 730 HB3 ARG O 2 14.339 17.125 37.831 1.00 0.00 H
ATOM 731 HB2 ARG O 2 15.550 17.327 36.539 1.00 0.00 H
ATOM 732 CG ARG O 2 15.885 18.555 38.317 1.00 0.00 C
ATOM 733 HG3 ARG O 2 16.845 18.909 37.881 1.00 0.00 H
ATOM 734 HG2 ARG O 2 15.126 19.321 38.033 1.00 0.00 H
ATOM 735 CD ARG O 2 15.962 18.549 39.857 1.00 0.00 C
ATOM 736 HD3 ARG O 2 15.799 19.581 40.245 1.00 0.00 H
ATOM 737 HD2 ARG O 2 15.188 17.874 40.284 1.00 0.00 H
ATOM 738 NE ARG O 2 17.352 18.142 40.239 1.00 0.00 N
ATOM 739 HE ARG O 2 18.121 18.477 39.652 1.00 0.00 H
ATOM 740 CZ ARG O 2 17.710 17.239 41.140 1.00 0.00 C
ATOM 741 NH1 ARG O 2 18.979 16.895 41.217 1.00 0.00 N
ATOM 742 HH11 ARG O 2 19.219 16.040 41.645 1.00 0.00 H
ATOM 743 HH12 ARG O 2 19.597 17.229 40.480 1.00 0.00 H
ATOM 744 NH2 ARG O 2 16.853 16.641 41.937 1.00 0.00 N
ATOM 745 HH21 ARG O 2 17.194 15.995 42.604 1.00 0.00 H
ATOM 746 HH22 ARG O 2 15.902 16.906 41.882 1.00 0.00 H
ATOM 747 C ARG O 2 17.587 15.823 38.011 1.00 0.00 C
ATOM 748 O ARG O 2 18.215 15.038 38.716 1.00 0.00 O
ATOM 749 N ARG O 3 18.214 16.634 37.141 1.00 0.00 N
ATOM 750 H ARG O 3 17.706 17.270 36.575 1.00 0.00 H
ATOM 751 CA ARG O 3 19.645 16.855 37.195 1.00 0.00 C
ATOM 752 HA ARG O 3 20.148 15.913 37.375 1.00 0.00 H
ATOM 753 CB ARG O 3 20.175 17.462 35.869 1.00 0.00 C
ATOM 754 HB3 ARG O 3 19.994 16.703 35.074 1.00 0.00 H
ATOM 755 HB2 ARG O 3 19.587 18.369 35.610 1.00 0.00 H
ATOM 756 CG ARG O 3 21.683 17.807 35.891 1.00 0.00 C
ATOM 757 HG3 ARG O 3 22.192 17.060 36.541 1.00 0.00 H
ATOM 758 HG2 ARG O 3 22.095 17.687 34.863 1.00 0.00 H
ATOM 759 CD ARG O 3 21.990 19.241 36.358 1.00 0.00 C
ATOM 760 HD3 ARG O 3 21.415 19.551 37.256 1.00 0.00 H
ATOM 761 HD2 ARG O 3 21.731 19.961 35.548 1.00 0.00 H
ATOM 762 NE ARG O 3 23.460 19.333 36.637 1.00 0.00 N
ATOM 763 HE ARG O 3 24.066 19.646 35.918 1.00 0.00 H
ATOM 764 CZ ARG O 3 24.005 19.057 37.817 1.00 0.00 C
ATOM 765 NH1 ARG O 3 23.334 18.606 38.853 1.00 0.00 N
ATOM 766 HH11 ARG O 3 23.785 18.372 39.697 1.00 0.00 H
ATOM 767 HH12 ARG O 3 22.354 18.342 38.769 1.00 0.00 H
ATOM 768 NH2 ARG O 3 25.305 19.237 37.968 1.00 0.00 N
ATOM 769 HH21 ARG O 3 25.711 19.044 38.850 1.00 0.00 H
ATOM 770 HH22 ARG O 3 25.839 19.587 37.212 1.00 0.00 H
ATOM 771 C ARG O 3 19.976 17.794 38.376 1.00 0.00 C
ATOM 772 O ARG O 3 20.857 17.451 39.206 1.00 0.00 O
ATOM 773 OXT ARG O 3 19.345 18.874 38.494 1.00 0.00 O
TER 774 ARG O 3
ATOM 775 N SER P 1 16.142 36.560 -0.044 1.00 0.00 N
ATOM 776 H SER P 1 17.054 36.321 -0.509 1.00 0.00 H
ATOM 777 H2 SER P 1 15.443 35.811 -0.187 1.00 0.00 H
ATOM 778 H3 SER P 1 15.803 37.471 -0.447 1.00 0.00 H
ATOM 779 CA SER P 1 16.527 36.734 1.407 1.00 0.00 C
ATOM 780 HA SER P 1 16.132 35.879 1.938 1.00 0.00 H
ATOM 781 CB SER P 1 18.085 36.716 1.613 1.00 0.00 C
ATOM 782 HB3 SER P 1 18.431 37.573 2.235 1.00 0.00 H
ATOM 783 HB2 SER P 1 18.366 35.796 2.174 1.00 0.00 H
ATOM 784 OG SER P 1 18.801 36.713 0.372 1.00 0.00 O
ATOM 785 HG SER P 1 19.678 37.154 0.562 1.00 0.00 H
ATOM 786 C SER P 1 15.882 37.936 2.062 1.00 0.00 C
ATOM 787 O SER P 1 15.115 37.771 2.998 1.00 0.00 O
ATOM 788 N SER P 2 16.109 39.183 1.608 1.00 0.00 N
ATOM 789 H SER P 2 15.708 39.926 2.143 1.00 0.00 H
ATOM 790 CA SER P 2 16.919 39.600 0.469 1.00 0.00 C
ATOM 791 HA SER P 2 17.502 38.774 0.106 1.00 0.00 H
ATOM 792 CB SER P 2 16.091 40.108 -0.728 1.00 0.00 C
ATOM 793 HB3 SER P 2 16.759 40.530 -1.515 1.00 0.00 H
ATOM 794 HB2 SER P 2 15.397 40.912 -0.385 1.00 0.00 H
ATOM 795 OG SER P 2 15.351 39.012 -1.280 1.00 0.00 O
ATOM 796 HG SER P 2 14.778 39.396 -1.962 1.00 0.00 H
ATOM 797 C SER P 2 17.943 40.605 0.912 1.00 0.00 C
ATOM 798 O SER P 2 17.650 41.508 1.689 1.00 0.00 O
ATOM 799 N SER P 3 19.189 40.376 0.478 1.00 0.00 N
ATOM 800 H SER P 3 19.402 39.729 -0.246 1.00 0.00 H
ATOM 801 CA SER P 3 20.338 40.525 1.342 1.00 0.00 C
ATOM 802 HA SER P 3 20.089 41.076 2.239 1.00 0.00 H
ATOM 803 CB SER P 3 21.578 41.137 0.646 1.00 0.00 C
ATOM 804 HB3 SER P 3 21.874 40.500 -0.218 1.00 0.00 H
ATOM 805 HB2 SER P 3 22.432 41.165 1.360 1.00 0.00 H
ATOM 806 OG SER P 3 21.299 42.454 0.168 1.00 0.00 O
ATOM 807 HG SER P 3 20.965 42.951 0.921 1.00 0.00 H
ATOM 808 C SER P 3 20.660 39.070 1.731 1.00 0.00 C
ATOM 809 O SER P 3 20.856 38.244 0.796 1.00 0.00 O
ATOM 810 OXT SER P 3 20.605 38.740 2.940 1.00 0.00 O
TER 811 SER P 3
ATOM 812 N THR Q 1 17.644 38.466 15.943 1.00 0.00 N
ATOM 813 H THR Q 1 17.185 37.531 15.984 1.00 0.00 H
ATOM 814 H2 THR Q 1 17.027 39.119 16.497 1.00 0.00 H
ATOM 815 H3 THR Q 1 17.742 38.794 14.966 1.00 0.00 H
ATOM 816 CA THR Q 1 18.966 38.371 16.665 1.00 0.00 C
ATOM 817 HA THR Q 1 19.435 39.345 16.649 1.00 0.00 H
ATOM 818 CB THR Q 1 19.915 37.303 16.120 1.00 0.00 C
ATOM 819 HB THR Q 1 19.590 36.271 16.402 1.00 0.00 H
ATOM 820 OG1 THR Q 1 21.217 37.555 16.625 1.00 0.00 O
ATOM 821 HG1 THR Q 1 21.766 36.787 16.419 1.00 0.00 H
ATOM 822 CG2 THR Q 1 20.026 37.393 14.589 1.00 0.00 C
ATOM 823 HG21 THR Q 1 20.344 38.410 14.273 1.00 0.00 H
ATOM 824 HG22 THR Q 1 19.072 37.134 14.087 1.00 0.00 H
ATOM 825 HG23 THR Q 1 20.792 36.676 14.220 1.00 0.00 H
ATOM 826 C THR Q 1 18.561 38.043 18.063 1.00 0.00 C
ATOM 827 O THR Q 1 17.822 37.082 18.234 1.00 0.00 O
ATOM 828 N THR Q 2 18.878 38.937 19.017 1.00 0.00 N
ATOM 829 H THR Q 2 19.783 39.354 19.072 1.00 0.00 H
ATOM 830 CA THR Q 2 17.877 39.593 19.866 1.00 0.00 C
ATOM 831 HA THR Q 2 18.432 40.298 20.459 1.00 0.00 H
ATOM 832 CB THR Q 2 16.845 40.444 19.103 1.00 0.00 C
ATOM 833 HB THR Q 2 16.098 40.880 19.812 1.00 0.00 H
ATOM 834 OG1 THR Q 2 16.156 39.691 18.103 1.00 0.00 O
ATOM 835 HG1 THR Q 2 15.728 38.993 18.638 1.00 0.00 H
ATOM 836 CG2 THR Q 2 17.557 41.612 18.403 1.00 0.00 C
ATOM 837 HG21 THR Q 2 18.300 41.257 17.663 1.00 0.00 H
ATOM 838 HG22 THR Q 2 18.080 42.245 19.153 1.00 0.00 H
ATOM 839 HG23 THR Q 2 16.812 42.249 17.878 1.00 0.00 H
ATOM 840 C THR Q 2 17.121 38.706 20.843 1.00 0.00 C
ATOM 841 O THR Q 2 16.185 38.018 20.440 1.00 0.00 O
ATOM 842 N THR Q 3 17.428 38.738 22.146 1.00 0.00 N
ATOM 843 H THR Q 3 16.894 38.211 22.811 1.00 0.00 H
ATOM 844 CA THR Q 3 18.369 39.601 22.846 1.00 0.00 C
ATOM 845 HA THR Q 3 18.284 40.611 22.480 1.00 0.00 H
ATOM 846 CB THR Q 3 19.839 39.162 22.864 1.00 0.00 C
ATOM 847 HB THR Q 3 20.393 39.779 23.613 1.00 0.00 H
ATOM 848 OG1 THR Q 3 20.478 39.343 21.603 1.00 0.00 O
ATOM 849 HG1 THR Q 3 21.401 39.150 21.790 1.00 0.00 H
ATOM 850 CG2 THR Q 3 19.970 37.677 23.236 1.00 0.00 C
ATOM 851 HG21 THR Q 3 19.479 37.487 24.216 1.00 0.00 H
ATOM 852 HG22 THR Q 3 19.480 37.037 22.473 1.00 0.00 H
ATOM 853 HG23 THR Q 3 21.035 37.382 23.319 1.00 0.00 H
ATOM 854 C THR Q 3 17.893 39.656 24.308 1.00 0.00 C
ATOM 855 O THR Q 3 18.436 40.504 25.062 1.00 0.00 O
ATOM 856 OXT THR Q 3 16.993 38.853 24.679 1.00 0.00 O
TER 857 THR Q 3
ATOM 858 N VAL R 1 18.906 36.782 39.918 1.00 0.00 N
ATOM 859 H VAL R 1 19.584 36.310 39.283 1.00 0.00 H
ATOM 860 H2 VAL R 1 19.537 37.078 40.724 1.00 0.00 H
ATOM 861 H3 VAL R 1 18.152 36.157 40.238 1.00 0.00 H
ATOM 862 CA VAL R 1 18.424 38.028 39.255 1.00 0.00 C
ATOM 863 HA VAL R 1 19.297 38.623 39.083 1.00 0.00 H
ATOM 864 CB VAL R 1 17.890 37.721 37.843 1.00 0.00 C
ATOM 865 HB VAL R 1 18.756 37.372 37.227 1.00 0.00 H
ATOM 866 CG1 VAL R 1 16.827 36.598 37.820 1.00 0.00 C
ATOM 867 HG11 VAL R 1 17.226 35.633 38.192 1.00 0.00 H
ATOM 868 HG12 VAL R 1 16.487 36.436 36.773 1.00 0.00 H
ATOM 869 HG13 VAL R 1 15.934 36.878 38.418 1.00 0.00 H
ATOM 870 CG2 VAL R 1 17.357 39.005 37.170 1.00 0.00 C
ATOM 871 HG21 VAL R 1 17.107 38.802 36.106 1.00 0.00 H
ATOM 872 HG22 VAL R 1 16.435 39.374 37.667 1.00 0.00 H
ATOM 873 HG23 VAL R 1 18.121 39.813 37.193 1.00 0.00 H
ATOM 874 C VAL R 1 17.460 38.838 40.124 1.00 0.00 C
ATOM 875 O VAL R 1 16.298 38.474 40.266 1.00 0.00 O
ATOM 876 N VAL R 2 17.844 39.940 40.810 1.00 0.00 N
ATOM 877 H VAL R 2 17.097 40.407 41.272 1.00 0.00 H
ATOM 878 CA VAL R 2 19.158 40.532 41.066 1.00 0.00 C
ATOM 879 HA VAL R 2 19.677 39.816 41.677 1.00 0.00 H
ATOM 880 CB VAL R 2 19.006 41.778 41.951 1.00 0.00 C
ATOM 881 HB VAL R 2 18.433 41.470 42.859 1.00 0.00 H
ATOM 882 CG1 VAL R 2 18.198 42.886 41.242 1.00 0.00 C
ATOM 883 HG11 VAL R 2 17.202 42.525 40.916 1.00 0.00 H
ATOM 884 HG12 VAL R 2 18.742 43.261 40.349 1.00 0.00 H
ATOM 885 HG13 VAL R 2 18.047 43.745 41.930 1.00 0.00 H
ATOM 886 CG2 VAL R 2 20.372 42.312 42.432 1.00 0.00 C
ATOM 887 HG21 VAL R 2 20.939 41.522 42.968 1.00 0.00 H
ATOM 888 HG22 VAL R 2 20.221 43.162 43.131 1.00 0.00 H
ATOM 889 HG23 VAL R 2 20.984 42.680 41.581 1.00 0.00 H
ATOM 890 C VAL R 2 20.027 40.818 39.833 1.00 0.00 C
ATOM 891 O VAL R 2 19.558 41.351 38.832 1.00 0.00 O
ATOM 892 N VAL R 3 21.321 40.441 39.813 1.00 0.00 N
ATOM 893 H VAL R 3 21.847 40.669 39.002 1.00 0.00 H
ATOM 894 CA VAL R 3 22.000 39.551 40.745 1.00 0.00 C
ATOM 895 HA VAL R 3 21.785 39.886 41.748 1.00 0.00 H
ATOM 896 CB VAL R 3 23.524 39.588 40.609 1.00 0.00 C
ATOM 897 HB VAL R 3 23.960 38.800 41.268 1.00 0.00 H
ATOM 898 CG1 VAL R 3 23.993 39.329 39.161 1.00 0.00 C
ATOM 899 HG11 VAL R 3 25.103 39.332 39.118 1.00 0.00 H
ATOM 900 HG12 VAL R 3 23.621 40.109 38.467 1.00 0.00 H
ATOM 901 HG13 VAL R 3 23.641 38.339 38.803 1.00 0.00 H
ATOM 902 CG2 VAL R 3 24.028 40.960 41.104 1.00 0.00 C
ATOM 903 HG21 VAL R 3 25.137 40.996 41.060 1.00 0.00 H
ATOM 904 HG22 VAL R 3 23.627 41.779 40.471 1.00 0.00 H
ATOM 905 HG23 VAL R 3 23.713 41.136 42.154 1.00 0.00 H
ATOM 906 C VAL R 3 21.426 38.114 40.639 1.00 0.00 C
ATOM 907 O VAL R 3 21.504 37.461 39.566 1.00 0.00 O
ATOM 908 OXT VAL R 3 20.734 37.688 41.608 1.00 0.00 O
TER 909 VAL R 3
ATOM 910 N TRP S 1 37.595 -0.878 1.056 1.00 0.00 N
ATOM 911 H TRP S 1 38.279 -0.206 1.506 1.00 0.00 H
ATOM 912 H2 TRP S 1 36.659 -0.666 1.436 1.00 0.00 H
ATOM 913 H3 TRP S 1 37.939 -1.785 1.437 1.00 0.00 H
ATOM 914 CA TRP S 1 37.660 -0.895 -0.435 1.00 0.00 C
ATOM 915 HA TRP S 1 36.795 -1.481 -0.717 1.00 0.00 H
ATOM 916 CB TRP S 1 38.887 -1.720 -0.938 1.00 0.00 C
ATOM 917 HB3 TRP S 1 39.282 -1.273 -1.878 1.00 0.00 H
ATOM 918 HB2 TRP S 1 39.722 -1.659 -0.208 1.00 0.00 H
ATOM 919 CG TRP S 1 38.595 -3.162 -1.224 1.00 0.00 C
ATOM 920 CD1 TRP S 1 38.247 -3.661 -2.453 1.00 0.00 C
ATOM 921 HD1 TRP S 1 38.186 -3.063 -3.357 1.00 0.00 H
ATOM 922 NE1 TRP S 1 38.000 -5.009 -2.349 1.00 0.00 N
ATOM 923 HE1 TRP S 1 37.752 -5.626 -3.065 1.00 0.00 H
ATOM 924 CE2 TRP S 1 38.189 -5.411 -1.061 1.00 0.00 C
ATOM 925 CD2 TRP S 1 38.572 -4.274 -0.310 1.00 0.00 C
ATOM 926 CE3 TRP S 1 38.842 -4.413 1.053 1.00 0.00 C
ATOM 927 HE3 TRP S 1 39.178 -3.582 1.654 1.00 0.00 H
ATOM 928 CZ3 TRP S 1 38.714 -5.677 1.636 1.00 0.00 C
ATOM 929 HZ3 TRP S 1 38.928 -5.800 2.690 1.00 0.00 H
ATOM 930 CZ2 TRP S 1 38.056 -6.662 -0.482 1.00 0.00 C
ATOM 931 HZ2 TRP S 1 37.760 -7.524 -1.059 1.00 0.00 H
ATOM 932 CH2 TRP S 1 38.324 -6.781 0.884 1.00 0.00 C
ATOM 933 HH2 TRP S 1 38.236 -7.747 1.365 1.00 0.00 H
ATOM 934 C TRP S 1 37.408 0.389 -1.238 1.00 0.00 C
ATOM 935 O TRP S 1 36.586 0.346 -2.145 1.00 0.00 O
ATOM 936 N TRP S 2 37.993 1.587 -1.009 1.00 0.00 N
ATOM 937 H TRP S 2 37.683 2.295 -1.638 1.00 0.00 H
ATOM 938 CA TRP S 2 38.961 2.069 -0.034 1.00 0.00 C
ATOM 939 HA TRP S 2 38.504 1.918 0.930 1.00 0.00 H
ATOM 940 CB TRP S 2 39.184 3.597 -0.197 1.00 0.00 C
ATOM 941 HB3 TRP S 2 39.865 3.975 0.595 1.00 0.00 H
ATOM 942 HB2 TRP S 2 39.675 3.785 -1.178 1.00 0.00 H
ATOM 943 CG TRP S 2 37.914 4.385 -0.115 1.00 0.00 C
ATOM 944 CD1 TRP S 2 37.349 5.145 -1.108 1.00 0.00 C
ATOM 945 HD1 TRP S 2 37.801 5.314 -2.079 1.00 0.00 H
ATOM 946 NE1 TRP S 2 36.147 5.651 -0.670 1.00 0.00 N
ATOM 947 HE1 TRP S 2 35.531 6.233 -1.156 1.00 0.00 H
ATOM 948 CE2 TRP S 2 35.910 5.231 0.606 1.00 0.00 C
ATOM 949 CD2 TRP S 2 37.004 4.425 1.001 1.00 0.00 C
ATOM 950 CE3 TRP S 2 37.011 3.853 2.276 1.00 0.00 C
ATOM 951 HE3 TRP S 2 37.830 3.235 2.620 1.00 0.00 H
ATOM 952 CZ3 TRP S 2 35.927 4.097 3.124 1.00 0.00 C
ATOM 953 HZ3 TRP S 2 35.919 3.663 4.117 1.00 0.00 H
ATOM 954 CZ2 TRP S 2 34.836 5.471 1.447 1.00 0.00 C
ATOM 955 HZ2 TRP S 2 34.005 6.086 1.141 1.00 0.00 H
ATOM 956 CH2 TRP S 2 34.860 4.892 2.718 1.00 0.00 C
ATOM 957 HH2 TRP S 2 34.036 5.064 3.399 1.00 0.00 H
ATOM 958 C TRP S 2 40.294 1.339 0.030 1.00 0.00 C
ATOM 959 O TRP S 2 40.636 0.581 -0.865 1.00 0.00 O
ATOM 960 N TRP S 3 41.025 1.552 1.145 1.00 0.00 N
ATOM 961 H TRP S 3 40.920 2.417 1.612 1.00 0.00 H
ATOM 962 CA TRP S 3 41.341 0.489 2.096 1.00 0.00 C
ATOM 963 HA TRP S 3 41.647 1.019 2.986 1.00 0.00 H
ATOM 964 CB TRP S 3 42.562 -0.442 1.776 1.00 0.00 C
ATOM 965 HB3 TRP S 3 43.447 0.214 1.635 1.00 0.00 H
ATOM 966 HB2 TRP S 3 42.751 -1.041 2.695 1.00 0.00 H
ATOM 967 CG TRP S 3 42.502 -1.390 0.614 1.00 0.00 C
ATOM 968 CD1 TRP S 3 42.037 -2.678 0.687 1.00 0.00 C
ATOM 969 HD1 TRP S 3 41.580 -3.093 1.579 1.00 0.00 H
ATOM 970 NE1 TRP S 3 42.176 -3.294 -0.534 1.00 0.00 N
ATOM 971 HE1 TRP S 3 41.845 -4.177 -0.786 1.00 0.00 H
ATOM 972 CE2 TRP S 3 42.768 -2.433 -1.411 1.00 0.00 C
ATOM 973 CD2 TRP S 3 43.008 -1.219 -0.724 1.00 0.00 C
ATOM 974 CE3 TRP S 3 43.642 -0.169 -1.393 1.00 0.00 C
ATOM 975 HE3 TRP S 3 43.820 0.771 -0.894 1.00 0.00 H
ATOM 976 CZ3 TRP S 3 44.007 -0.346 -2.731 1.00 0.00 C
ATOM 977 HZ3 TRP S 3 44.488 0.465 -3.263 1.00 0.00 H
ATOM 978 CZ2 TRP S 3 43.130 -2.610 -2.737 1.00 0.00 C
ATOM 979 HZ2 TRP S 3 42.945 -3.538 -3.251 1.00 0.00 H
ATOM 980 CH2 TRP S 3 43.756 -1.545 -3.392 1.00 0.00 C
ATOM 981 HH2 TRP S 3 44.052 -1.652 -4.428 1.00 0.00 H
ATOM 982 C TRP S 3 40.030 -0.219 2.538 1.00 0.00 C
ATOM 983 O TRP S 3 39.038 0.529 2.779 1.00 0.00 O
ATOM 984 OXT TRP S 3 39.914 -1.468 2.541 1.00 0.00 O
TER 985 TRP S 3
ATOM 986 N TYR T 1 39.204 -0.462 17.154 1.00 0.00 N
ATOM 987 H TYR T 1 40.021 -1.093 17.284 1.00 0.00 H
ATOM 988 H2 TYR T 1 39.527 0.512 17.407 1.00 0.00 H
ATOM 989 H3 TYR T 1 38.872 -0.495 16.172 1.00 0.00 H
ATOM 990 CA TYR T 1 38.129 -0.871 18.125 1.00 0.00 C
ATOM 991 HA TYR T 1 37.275 -0.222 17.986 1.00 0.00 H
ATOM 992 CB TYR T 1 37.749 -2.372 17.969 1.00 0.00 C
ATOM 993 HB3 TYR T 1 36.979 -2.656 18.720 1.00 0.00 H
ATOM 994 HB2 TYR T 1 38.631 -3.032 18.126 1.00 0.00 H
ATOM 995 CG TYR T 1 37.162 -2.636 16.607 1.00 0.00 C
ATOM 996 CD1 TYR T 1 37.809 -3.489 15.695 1.00 0.00 C
ATOM 997 HD1 TYR T 1 38.732 -3.979 15.971 1.00 0.00 H
ATOM 998 CE1 TYR T 1 37.263 -3.721 14.424 1.00 0.00 C
ATOM 999 HE1 TYR T 1 37.769 -4.378 13.732 1.00 0.00 H
ATOM 1000 CZ TYR T 1 36.061 -3.104 14.060 1.00 0.00 C
ATOM 1001 OH TYR T 1 35.497 -3.321 12.790 1.00 0.00 O
ATOM 1002 HH TYR T 1 36.036 -3.962 12.322 1.00 0.00 H
ATOM 1003 CD2 TYR T 1 35.946 -2.038 16.234 1.00 0.00 C
ATOM 1004 HD2 TYR T 1 35.413 -1.404 16.928 1.00 0.00 H
ATOM 1005 CE2 TYR T 1 35.402 -2.267 14.963 1.00 0.00 C
ATOM 1006 HE2 TYR T 1 34.466 -1.808 14.676 1.00 0.00 H
ATOM 1007 C TYR T 1 38.715 -0.594 19.480 1.00 0.00 C
ATOM 1008 O TYR T 1 39.712 -1.211 19.833 1.00 0.00 O
ATOM 1009 N TYR T 2 38.218 0.468 20.155 1.00 0.00 N
ATOM 1010 H TYR T 2 37.281 0.780 20.044 1.00 0.00 H
ATOM 1011 CA TYR T 2 39.096 1.472 20.756 1.00 0.00 C
ATOM 1012 HA TYR T 2 38.457 2.294 21.047 1.00 0.00 H
ATOM 1013 CB TYR T 2 39.828 0.989 22.042 1.00 0.00 C
ATOM 1014 HB3 TYR T 2 40.522 0.152 21.817 1.00 0.00 H
ATOM 1015 HB2 TYR T 2 40.424 1.804 22.508 1.00 0.00 H
ATOM 1016 CG TYR T 2 38.818 0.534 23.059 1.00 0.00 C
ATOM 1017 CD1 TYR T 2 38.555 -0.833 23.254 1.00 0.00 C
ATOM 1018 HD1 TYR T 2 39.083 -1.565 22.659 1.00 0.00 H
ATOM 1019 CE1 TYR T 2 37.614 -1.248 24.206 1.00 0.00 C
ATOM 1020 HE1 TYR T 2 37.413 -2.299 24.352 1.00 0.00 H
ATOM 1021 CZ TYR T 2 36.941 -0.300 24.983 1.00 0.00 C
ATOM 1022 OH TYR T 2 36.002 -0.727 25.940 1.00 0.00 O
ATOM 1023 HH TYR T 2 35.715 0.045 26.429 1.00 0.00 H
ATOM 1024 CD2 TYR T 2 38.145 1.477 23.856 1.00 0.00 C
ATOM 1025 HD2 TYR T 2 38.360 2.529 23.731 1.00 0.00 H
ATOM 1026 CE2 TYR T 2 37.208 1.063 24.813 1.00 0.00 C
ATOM 1027 HE2 TYR T 2 36.700 1.801 25.416 1.00 0.00 H
ATOM 1028 C TYR T 2 40.066 2.082 19.731 1.00 0.00 C
ATOM 1029 O TYR T 2 39.979 1.803 18.526 1.00 0.00 O
ATOM 1030 N TYR T 3 40.976 2.934 20.192 1.00 0.00 N
ATOM 1031 H TYR T 3 41.050 3.267 21.137 1.00 0.00 H
ATOM 1032 CA TYR T 3 42.013 3.573 19.435 1.00 0.00 C
ATOM 1033 HA TYR T 3 41.583 4.061 18.573 1.00 0.00 H
ATOM 1034 CB TYR T 3 43.149 2.594 19.005 1.00 0.00 C
ATOM 1035 HB3 TYR T 3 42.784 1.961 18.172 1.00 0.00 H
ATOM 1036 HB2 TYR T 3 44.026 3.176 18.645 1.00 0.00 H
ATOM 1037 CG TYR T 3 43.599 1.696 20.136 1.00 0.00 C
ATOM 1038 CD1 TYR T 3 44.450 2.187 21.140 1.00 0.00 C
ATOM 1039 HD1 TYR T 3 44.764 3.223 21.105 1.00 0.00 H
ATOM 1040 CE1 TYR T 3 44.860 1.365 22.198 1.00 0.00 C
ATOM 1041 HE1 TYR T 3 45.499 1.773 22.966 1.00 0.00 H
ATOM 1042 CZ TYR T 3 44.431 0.034 22.252 1.00 0.00 C
ATOM 1043 OH TYR T 3 44.831 -0.795 23.317 1.00 0.00 O
ATOM 1044 HH TYR T 3 45.353 -0.252 23.912 1.00 0.00 H
ATOM 1045 CD2 TYR T 3 43.188 0.351 20.196 1.00 0.00 C
ATOM 1046 HD2 TYR T 3 42.533 -0.039 19.434 1.00 0.00 H
ATOM 1047 CE2 TYR T 3 43.597 -0.475 21.253 1.00 0.00 C
ATOM 1048 HE2 TYR T 3 43.268 -1.502 21.304 1.00 0.00 H
ATOM 1049 C TYR T 3 42.534 4.699 20.360 1.00 0.00 C
ATOM 1050 O TYR T 3 42.060 4.766 21.531 1.00 0.00 O
ATOM 1051 OXT TYR T 3 43.397 5.489 19.902 1.00 0.00 O
TER 1052 TYR T 3
END
wrappers/python/tests/systems/test_charmm_20aa_drude.pdb 0 → 100644
View file @ be646878
REMARK 1 CREATED WITH OPENMM 8.3, 2025-07-01
ATOM 1 N ALA A 1 -15.460 -18.764 -18.529 1.00 0.00 N
ATOM 2 DN ALA A 1 -15.460 -18.764 -18.529 1.00 0.00 EP
ATOM 3 H ALA A 1 -16.423 -18.814 -18.169 1.00 0.00 H
ATOM 4 H2 ALA A 1 -14.799 -18.314 -17.834 1.00 0.00 H
ATOM 5 H3 ALA A 1 -15.012 -19.713 -18.581 1.00 0.00 H
ATOM 6 CA ALA A 1 -15.310 -18.144 -19.870 1.00 0.00 C
ATOM 7 DCA ALA A 1 -15.310 -18.144 -19.870 1.00 0.00 EP
ATOM 8 HA ALA A 1 -14.273 -18.214 -20.137 1.00 0.00 H
ATOM 9 C ALA A 1 -15.781 -16.688 -19.994 1.00 0.00 C
ATOM 10 DC ALA A 1 -15.781 -16.688 -19.994 1.00 0.00 EP
ATOM 11 O ALA A 1 -16.939 -16.459 -20.321 1.00 0.00 O
ATOM 12 DO ALA A 1 -16.939 -16.459 -20.321 1.00 0.00 EP
ATOM 13 LPOA ALA A 1 -16.997 -16.753 -20.340 1.00 0.00 EP
ATOM 14 LPOB ALA A 1 -16.890 -16.164 -20.306 1.00 0.00 EP
ATOM 15 CB ALA A 1 -16.076 -19.039 -20.874 1.00 0.00 C
ATOM 16 DCB ALA A 1 -16.076 -19.039 -20.874 1.00 0.00 EP
ATOM 17 HB1 ALA A 1 -17.166 -19.059 -20.659 1.00 0.00 H
ATOM 18 HB2 ALA A 1 -15.687 -20.080 -20.851 1.00 0.00 H
ATOM 19 HB3 ALA A 1 -15.939 -18.657 -21.910 1.00 0.00 H
ATOM 20 N ALA A 2 -14.989 -15.613 -19.748 1.00 0.00 N
ATOM 21 DN ALA A 2 -14.989 -15.613 -19.748 1.00 0.00 EP
ATOM 22 H ALA A 2 -15.423 -14.747 -19.978 1.00 0.00 H
ATOM 23 CA ALA A 2 -13.674 -15.469 -19.135 1.00 0.00 C
ATOM 24 DCA ALA A 2 -13.674 -15.469 -19.135 1.00 0.00 EP
ATOM 25 HA ALA A 2 -13.818 -15.659 -18.079 1.00 0.00 H
ATOM 26 C ALA A 2 -12.579 -16.426 -19.583 1.00 0.00 C
ATOM 27 DC ALA A 2 -12.579 -16.426 -19.583 1.00 0.00 EP
ATOM 28 O ALA A 2 -12.522 -16.860 -20.730 1.00 0.00 O
ATOM 29 DO ALA A 2 -12.522 -16.860 -20.730 1.00 0.00 EP
ATOM 30 LPOA ALA A 2 -12.768 -16.706 -20.807 1.00 0.00 EP
ATOM 31 LPOB ALA A 2 -12.276 -17.018 -20.664 1.00 0.00 EP
ATOM 32 CB ALA A 2 -13.192 -14.012 -19.288 1.00 0.00 C
ATOM 33 DCB ALA A 2 -13.192 -14.012 -19.288 1.00 0.00 EP
ATOM 34 HB1 ALA A 2 -13.952 -13.311 -18.882 1.00 0.00 H
ATOM 35 HB2 ALA A 2 -13.030 -13.768 -20.361 1.00 0.00 H
ATOM 36 HB3 ALA A 2 -12.240 -13.842 -18.741 1.00 0.00 H
ATOM 37 N ALA A 3 -11.746 -16.837 -18.611 1.00 0.00 N
ATOM 38 DN ALA A 3 -11.746 -16.837 -18.611 1.00 0.00 EP
ATOM 39 H ALA A 3 -11.713 -16.379 -17.733 1.00 0.00 H
ATOM 40 CA ALA A 3 -11.391 -18.233 -18.498 1.00 0.00 C
ATOM 41 DCA ALA A 3 -11.391 -18.233 -18.498 1.00 0.00 EP
ATOM 42 HA ALA A 3 -11.175 -18.650 -19.474 1.00 0.00 H
ATOM 43 C ALA A 3 -12.641 -18.946 -17.916 1.00 0.00 C
ATOM 44 DC ALA A 3 -12.641 -18.946 -17.916 1.00 0.00 EP
ATOM 45 CB ALA A 3 -10.189 -18.413 -17.554 1.00 0.00 C
ATOM 46 DCB ALA A 3 -10.189 -18.413 -17.554 1.00 0.00 EP
ATOM 47 HB1 ALA A 3 -9.939 -19.492 -17.457 1.00 0.00 H
ATOM 48 HB2 ALA A 3 -9.304 -17.876 -17.954 1.00 0.00 H
ATOM 49 HB3 ALA A 3 -10.426 -18.015 -16.544 1.00 0.00 H
ATOM 50 O ALA A 3 -13.321 -18.344 -17.033 1.00 0.00 O
ATOM 51 DOT1 ALA A 3 -13.321 -18.344 -17.033 1.00 0.00 EP
ATOM 52 OXT ALA A 3 -13.057 -20.006 -18.457 1.00 0.00 O
ATOM 53 DOT2 ALA A 3 -13.057 -20.006 -18.457 1.00 0.00 EP
ATOM 54 LPT1 ALA A 3 -13.620 -18.516 -16.975 1.00 0.00 EP
ATOM 55 LPT2 ALA A 3 -13.150 -18.059 -16.925 1.00 0.00 EP
ATOM 56 LPT3 ALA A 3 -13.370 -20.093 -18.326 1.00 0.00 EP
ATOM 57 LPT4 ALA A 3 -12.823 -20.121 -18.691 1.00 0.00 EP
TER 58 ALA A 3
ATOM 59 N CYS B 1 -16.921 -18.292 1.815 1.00 0.00 N
ATOM 60 DN CYS B 1 -16.921 -18.292 1.815 1.00 0.00 EP
ATOM 61 H CYS B 1 -16.281 -17.565 2.234 1.00 0.00 H
ATOM 62 H2 CYS B 1 -17.573 -18.613 2.555 1.00 0.00 H
ATOM 63 H3 CYS B 1 -17.432 -17.856 1.025 1.00 0.00 H
ATOM 64 CA CYS B 1 -16.079 -19.442 1.355 1.00 0.00 C
ATOM 65 DCA CYS B 1 -16.079 -19.442 1.355 1.00 0.00 EP
ATOM 66 HA CYS B 1 -16.782 -20.182 0.996 1.00 0.00 H
ATOM 67 C CYS B 1 -15.195 -19.209 0.139 1.00 0.00 C
ATOM 68 DC CYS B 1 -15.195 -19.209 0.139 1.00 0.00 EP
ATOM 69 O CYS B 1 -15.320 -19.977 -0.805 1.00 0.00 O
ATOM 70 DO CYS B 1 -15.320 -19.977 -0.805 1.00 0.00 EP
ATOM 71 LPOA CYS B 1 -15.533 -20.130 -0.659 1.00 0.00 EP
ATOM 72 LPOB CYS B 1 -15.108 -19.831 -0.959 1.00 0.00 EP
ATOM 73 CB CYS B 1 -15.342 -20.125 2.543 1.00 0.00 C
ATOM 74 DCB CYS B 1 -15.342 -20.125 2.543 1.00 0.00 EP
ATOM 75 HB3 CYS B 1 -14.712 -20.948 2.126 1.00 0.00 H
ATOM 76 HB2 CYS B 1 -14.634 -19.427 3.033 1.00 0.00 H
ATOM 77 SG CYS B 1 -16.482 -20.843 3.777 1.00 0.00 S
ATOM 78 DSG CYS B 1 -16.482 -20.843 3.777 1.00 0.00 EP
ATOM 79 HG CYS B 1 -15.546 -21.525 4.431 1.00 0.00 H
ATOM 80 LPGA CYS B 1 -16.509 -20.229 4.206 1.00 0.00 EP
ATOM 81 LPGB CYS B 1 -16.735 -21.385 3.324 1.00 0.00 EP
ATOM 82 N CYS B 2 -14.336 -18.175 -0.006 1.00 0.00 N
ATOM 83 DN CYS B 2 -14.336 -18.175 -0.006 1.00 0.00 EP
ATOM 84 H CYS B 2 -13.732 -18.323 -0.790 1.00 0.00 H
ATOM 85 CA CYS B 2 -13.965 -16.977 0.754 1.00 0.00 C
ATOM 86 DCA CYS B 2 -13.965 -16.977 0.754 1.00 0.00 EP
ATOM 87 HA CYS B 2 -12.912 -16.879 0.562 1.00 0.00 H
ATOM 88 C CYS B 2 -14.071 -16.909 2.282 1.00 0.00 C
ATOM 89 DC CYS B 2 -14.071 -16.909 2.282 1.00 0.00 EP
ATOM 90 O CYS B 2 -15.137 -16.594 2.812 1.00 0.00 O
ATOM 91 DO CYS B 2 -15.137 -16.594 2.812 1.00 0.00 EP
ATOM 92 LPOA CYS B 2 -15.267 -16.564 2.543 1.00 0.00 EP
ATOM 93 LPOB CYS B 2 -15.015 -16.622 3.085 1.00 0.00 EP
ATOM 94 CB CYS B 2 -14.553 -15.682 0.112 1.00 0.00 C
ATOM 95 DCB CYS B 2 -14.553 -15.682 0.112 1.00 0.00 EP
ATOM 96 HB3 CYS B 2 -13.976 -15.501 -0.823 1.00 0.00 H
ATOM 97 HB2 CYS B 2 -14.357 -14.802 0.764 1.00 0.00 H
ATOM 98 SG CYS B 2 -16.328 -15.793 -0.319 1.00 0.00 S
ATOM 99 DSG CYS B 2 -16.328 -15.793 -0.319 1.00 0.00 EP
ATOM 100 HG CYS B 2 -16.124 -16.382 -1.493 1.00 0.00 H
ATOM 101 LPGA CYS B 2 -16.460 -16.400 0.102 1.00 0.00 EP
ATOM 102 LPGB CYS B 2 -16.385 -15.081 -0.547 1.00 0.00 EP
ATOM 103 N CYS B 3 -13.030 -17.185 3.093 1.00 0.00 N
ATOM 104 DN CYS B 3 -13.030 -17.185 3.093 1.00 0.00 EP
ATOM 105 H CYS B 3 -13.187 -17.021 4.058 1.00 0.00 H
ATOM 106 CA CYS B 3 -11.738 -17.800 2.794 1.00 0.00 C
ATOM 107 DCA CYS B 3 -11.738 -17.800 2.794 1.00 0.00 EP
ATOM 108 HA CYS B 3 -11.504 -18.390 3.668 1.00 0.00 H
ATOM 109 C CYS B 3 -11.759 -18.852 1.657 1.00 0.00 C
ATOM 110 DC CYS B 3 -11.759 -18.852 1.657 1.00 0.00 EP
ATOM 111 CB CYS B 3 -10.561 -16.783 2.676 1.00 0.00 C
ATOM 112 DCB CYS B 3 -10.561 -16.783 2.676 1.00 0.00 EP
ATOM 113 HB3 CYS B 3 -10.485 -16.247 3.646 1.00 0.00 H
ATOM 114 HB2 CYS B 3 -9.622 -17.366 2.549 1.00 0.00 H
ATOM 115 SG CYS B 3 -10.711 -15.568 1.325 1.00 0.00 S
ATOM 116 DSG CYS B 3 -10.711 -15.568 1.325 1.00 0.00 EP
ATOM 117 HG CYS B 3 -10.674 -16.537 0.408 1.00 0.00 H
ATOM 118 LPGA CYS B 3 -11.453 -15.485 1.394 1.00 0.00 EP
ATOM 119 LPGB CYS B 3 -9.987 -15.372 1.333 1.00 0.00 EP
ATOM 120 O CYS B 3 -11.189 -18.590 0.567 1.00 0.00 O
ATOM 121 DOT1 CYS B 3 -11.189 -18.590 0.567 1.00 0.00 EP
ATOM 122 OXT CYS B 3 -12.425 -19.899 1.867 1.00 0.00 O
ATOM 123 DOT2 CYS B 3 -12.425 -19.899 1.867 1.00 0.00 EP
ATOM 124 LPT1 CYS B 3 -11.244 -18.849 0.338 1.00 0.00 EP
ATOM 125 LPT2 CYS B 3 -11.025 -18.282 0.588 1.00 0.00 EP
ATOM 126 LPT3 CYS B 3 -12.426 -20.100 1.580 1.00 0.00 EP
ATOM 127 LPT4 CYS B 3 -12.551 -19.897 2.193 1.00 0.00 EP
TER 128 CYS B 3
ATOM 129 N ASP C 1 -8.727 -7.414 22.480 1.00 0.00 N
ATOM 130 DN ASP C 1 -8.727 -7.414 22.480 1.00 0.00 EP
ATOM 131 H ASP C 1 -9.490 -7.303 23.166 1.00 0.00 H
ATOM 132 H2 ASP C 1 -8.042 -8.147 22.804 1.00 0.00 H
ATOM 133 H3 ASP C 1 -8.247 -6.467 22.400 1.00 0.00 H
ATOM 134 CA ASP C 1 -9.225 -7.896 21.162 1.00 0.00 C
ATOM 135 DCA ASP C 1 -9.225 -7.896 21.162 1.00 0.00 EP
ATOM 136 HA ASP C 1 -10.014 -8.599 21.396 1.00 0.00 H
ATOM 137 C ASP C 1 -9.939 -6.850 20.316 1.00 0.00 C
ATOM 138 DC ASP C 1 -9.939 -6.850 20.316 1.00 0.00 EP
ATOM 139 O ASP C 1 -11.151 -6.949 20.166 1.00 0.00 O
ATOM 140 DO ASP C 1 -11.151 -6.949 20.166 1.00 0.00 EP
ATOM 141 LPOA ASP C 1 -11.157 -7.197 20.335 1.00 0.00 EP
ATOM 142 LPOB ASP C 1 -11.155 -6.702 19.995 1.00 0.00 EP
ATOM 143 CB ASP C 1 -8.136 -8.705 20.399 1.00 0.00 C
ATOM 144 DCB ASP C 1 -8.136 -8.705 20.399 1.00 0.00 EP
ATOM 145 HB3 ASP C 1 -7.217 -8.111 20.230 1.00 0.00 H
ATOM 146 HB2 ASP C 1 -8.520 -9.044 19.412 1.00 0.00 H
ATOM 147 CG ASP C 1 -7.760 -9.930 21.201 1.00 0.00 C
ATOM 148 DCG ASP C 1 -7.760 -9.930 21.201 1.00 0.00 EP
ATOM 149 OD1 ASP C 1 -7.624 -11.037 20.632 1.00 0.00 O
ATOM 150 DOD1 ASP C 1 -7.624 -11.037 20.632 1.00 0.00 EP
ATOM 151 OD2 ASP C 1 -7.512 -9.783 22.429 1.00 0.00 O
ATOM 152 DOD2 ASP C 1 -7.512 -9.783 22.429 1.00 0.00 EP
ATOM 153 LP1A ASP C 1 -7.685 -11.004 20.289 1.00 0.00 EP
ATOM 154 LP1B ASP C 1 -7.537 -11.282 20.866 1.00 0.00 EP
ATOM 155 LP2A ASP C 1 -7.547 -9.447 22.518 1.00 0.00 EP
ATOM 156 LP2B ASP C 1 -7.430 -10.092 22.572 1.00 0.00 EP
ATOM 157 N ASP C 2 -9.308 -5.812 19.738 1.00 0.00 N
ATOM 158 DN ASP C 2 -9.308 -5.812 19.738 1.00 0.00 EP
ATOM 159 H ASP C 2 -9.890 -5.237 19.168 1.00 0.00 H
ATOM 160 CA ASP C 2 -7.928 -5.363 19.785 1.00 0.00 C
ATOM 161 DCA ASP C 2 -7.928 -5.363 19.785 1.00 0.00 EP
ATOM 162 HA ASP C 2 -7.297 -6.033 20.346 1.00 0.00 H
ATOM 163 C ASP C 2 -7.393 -5.315 18.346 1.00 0.00 C
ATOM 164 DC ASP C 2 -7.393 -5.315 18.346 1.00 0.00 EP
ATOM 165 O ASP C 2 -8.100 -5.689 17.414 1.00 0.00 O
ATOM 166 DO ASP C 2 -8.100 -5.689 17.414 1.00 0.00 EP
ATOM 167 LPOA ASP C 2 -8.324 -5.754 17.603 1.00 0.00 EP
ATOM 168 LPOB ASP C 2 -7.882 -5.627 17.217 1.00 0.00 EP
ATOM 169 CB ASP C 2 -7.931 -3.936 20.388 1.00 0.00 C
ATOM 170 DCB ASP C 2 -7.931 -3.936 20.388 1.00 0.00 EP
ATOM 171 HB3 ASP C 2 -8.789 -3.360 19.984 1.00 0.00 H
ATOM 172 HB2 ASP C 2 -7.009 -3.392 20.132 1.00 0.00 H
ATOM 173 CG ASP C 2 -7.996 -3.904 21.899 1.00 0.00 C
ATOM 174 DCG ASP C 2 -7.996 -3.904 21.899 1.00 0.00 EP
ATOM 175 OD1 ASP C 2 -8.047 -2.762 22.425 1.00 0.00 O
ATOM 176 DOD1 ASP C 2 -8.047 -2.762 22.425 1.00 0.00 EP
ATOM 177 OD2 ASP C 2 -7.924 -4.982 22.540 1.00 0.00 O
ATOM 178 DOD2 ASP C 2 -7.924 -4.982 22.540 1.00 0.00 EP
ATOM 179 LP1A ASP C 2 -8.042 -2.516 22.176 1.00 0.00 EP
ATOM 180 LP1B ASP C 2 -8.061 -2.791 22.773 1.00 0.00 EP
ATOM 181 LP2A ASP C 2 -7.890 -5.251 22.318 1.00 0.00 EP
ATOM 182 LP2B ASP C 2 -7.944 -4.919 22.883 1.00 0.00 EP
ATOM 183 N ASP C 3 -6.157 -4.858 18.058 1.00 0.00 N
ATOM 184 DN ASP C 3 -6.157 -4.858 18.058 1.00 0.00 EP
ATOM 185 H ASP C 3 -5.943 -4.793 17.092 1.00 0.00 H
ATOM 186 CA ASP C 3 -5.034 -4.587 18.934 1.00 0.00 C
ATOM 187 DCA ASP C 3 -5.034 -4.587 18.934 1.00 0.00 EP
ATOM 188 HA ASP C 3 -5.338 -4.601 19.972 1.00 0.00 H
ATOM 189 C ASP C 3 -4.005 -5.728 18.766 1.00 0.00 C
ATOM 190 DC ASP C 3 -4.005 -5.728 18.766 1.00 0.00 EP
ATOM 191 CB ASP C 3 -4.312 -3.239 18.597 1.00 0.00 C
ATOM 192 DCB ASP C 3 -4.312 -3.239 18.597 1.00 0.00 EP
ATOM 193 HB3 ASP C 3 -3.327 -3.206 19.107 1.00 0.00 H
ATOM 194 HB2 ASP C 3 -4.156 -3.164 17.502 1.00 0.00 H
ATOM 195 CG ASP C 3 -5.081 -2.012 19.049 1.00 0.00 C
ATOM 196 DCG ASP C 3 -5.081 -2.012 19.049 1.00 0.00 EP
ATOM 197 OD1 ASP C 3 -4.594 -1.303 19.969 1.00 0.00 O
ATOM 198 DOD1 ASP C 3 -4.594 -1.303 19.969 1.00 0.00 EP
ATOM 199 OD2 ASP C 3 -6.202 -1.744 18.545 1.00 0.00 O
ATOM 200 DOD2 ASP C 3 -6.202 -1.744 18.545 1.00 0.00 EP
ATOM 201 LP1A ASP C 3 -4.289 -1.438 20.075 1.00 0.00 EP
ATOM 202 LP1B ASP C 3 -4.806 -1.034 20.037 1.00 0.00 EP
ATOM 203 LP2A ASP C 3 -6.287 -1.986 18.306 1.00 0.00 EP
ATOM 204 LP2B ASP C 3 -6.330 -1.452 18.687 1.00 0.00 EP
ATOM 205 O ASP C 3 -3.534 -6.290 19.787 1.00 0.00 O
ATOM 206 DOT1 ASP C 3 -3.534 -6.290 19.787 1.00 0.00 EP
ATOM 207 OXT ASP C 3 -3.569 -6.030 17.625 1.00 0.00 O
ATOM 208 DOT2 ASP C 3 -3.569 -6.030 17.625 1.00 0.00 EP
ATOM 209 LPT1 ASP C 3 -3.286 -6.520 19.694 1.00 0.00 EP
ATOM 210 LPT2 ASP C 3 -3.692 -6.168 20.074 1.00 0.00 EP
ATOM 211 LPT3 ASP C 3 -3.319 -6.274 17.653 1.00 0.00 EP
ATOM 212 LPT4 ASP C 3 -3.735 -5.844 17.380 1.00 0.00 EP
TER 213 ASP C 3
ATOM 214 N GLU D 1 -14.270 6.236 -10.220 1.00 0.00 N
ATOM 215 DN GLU D 1 -14.270 6.236 -10.220 1.00 0.00 EP
ATOM 216 H GLU D 1 -14.698 5.698 -9.419 1.00 0.00 H
ATOM 217 H2 GLU D 1 -13.596 6.887 -9.738 1.00 0.00 H
ATOM 218 H3 GLU D 1 -13.691 5.614 -10.852 1.00 0.00 H
ATOM 219 CA GLU D 1 -15.374 6.952 -10.909 1.00 0.00 C
ATOM 220 DCA GLU D 1 -15.374 6.952 -10.909 1.00 0.00 EP
ATOM 221 HA GLU D 1 -16.155 6.212 -11.008 1.00 0.00 H
ATOM 222 C GLU D 1 -15.102 7.346 -12.354 1.00 0.00 C
ATOM 223 DC GLU D 1 -15.102 7.346 -12.354 1.00 0.00 EP
ATOM 224 O GLU D 1 -15.591 6.666 -13.250 1.00 0.00 O
ATOM 225 DO GLU D 1 -15.591 6.666 -13.250 1.00 0.00 EP
ATOM 226 LPOA GLU D 1 -15.719 6.484 -13.049 1.00 0.00 EP
ATOM 227 LPOB GLU D 1 -15.467 6.842 -13.459 1.00 0.00 EP
ATOM 228 CB GLU D 1 -15.968 8.077 -10.008 1.00 0.00 C
ATOM 229 DCB GLU D 1 -15.968 8.077 -10.008 1.00 0.00 EP
ATOM 230 HB3 GLU D 1 -15.159 8.683 -9.546 1.00 0.00 H
ATOM 231 HB2 GLU D 1 -16.572 8.758 -10.651 1.00 0.00 H
ATOM 232 CG GLU D 1 -16.937 7.574 -8.902 1.00 0.00 C
ATOM 233 DCG GLU D 1 -16.937 7.574 -8.902 1.00 0.00 EP
ATOM 234 HG3 GLU D 1 -17.717 6.910 -9.324 1.00 0.00 H
ATOM 235 HG2 GLU D 1 -17.439 8.451 -8.438 1.00 0.00 H
ATOM 236 CD GLU D 1 -16.217 6.816 -7.797 1.00 0.00 C
ATOM 237 DCD GLU D 1 -16.217 6.816 -7.797 1.00 0.00 EP
ATOM 238 OE1 GLU D 1 -16.082 7.378 -6.681 1.00 0.00 O
ATOM 239 DOE1 GLU D 1 -16.082 7.378 -6.681 1.00 0.00 EP
ATOM 240 OE2 GLU D 1 -15.741 5.686 -8.076 1.00 0.00 O
ATOM 241 DOE2 GLU D 1 -15.741 5.686 -8.076 1.00 0.00 EP
ATOM 242 LP1A GLU D 1 -16.227 7.696 -6.689 1.00 0.00 EP
ATOM 243 LP1B GLU D 1 -15.911 7.166 -6.461 1.00 0.00 EP
ATOM 244 LP2A GLU D 1 -15.806 5.608 -8.411 1.00 0.00 EP
ATOM 245 LP2B GLU D 1 -15.585 5.549 -7.794 1.00 0.00 EP
ATOM 246 N GLU D 2 -14.328 8.398 -12.696 1.00 0.00 N
ATOM 247 DN GLU D 2 -14.328 8.398 -12.696 1.00 0.00 EP
ATOM 248 H GLU D 2 -13.972 8.338 -13.627 1.00 0.00 H
ATOM 249 CA GLU D 2 -14.008 9.635 -12.000 1.00 0.00 C
ATOM 250 DCA GLU D 2 -14.008 9.635 -12.000 1.00 0.00 EP
ATOM 251 HA GLU D 2 -14.885 9.965 -11.466 1.00 0.00 H
ATOM 252 C GLU D 2 -12.901 9.544 -10.959 1.00 0.00 C
ATOM 253 DC GLU D 2 -12.901 9.544 -10.959 1.00 0.00 EP
ATOM 254 O GLU D 2 -12.808 10.418 -10.102 1.00 0.00 O
ATOM 255 DO GLU D 2 -12.808 10.418 -10.102 1.00 0.00 EP
ATOM 256 LPOA GLU D 2 -13.045 10.562 -10.216 1.00 0.00 EP
ATOM 257 LPOB GLU D 2 -12.570 10.281 -9.981 1.00 0.00 EP
ATOM 258 CB GLU D 2 -13.690 10.756 -13.028 1.00 0.00 C
ATOM 259 DCB GLU D 2 -13.690 10.756 -13.028 1.00 0.00 EP
ATOM 260 HB3 GLU D 2 -12.930 10.370 -13.743 1.00 0.00 H
ATOM 261 HB2 GLU D 2 -13.253 11.638 -12.505 1.00 0.00 H
ATOM 262 CG GLU D 2 -14.949 11.243 -13.797 1.00 0.00 C
ATOM 263 DCG GLU D 2 -14.949 11.243 -13.797 1.00 0.00 EP
ATOM 264 HG3 GLU D 2 -15.667 11.707 -13.090 1.00 0.00 H
ATOM 265 HG2 GLU D 2 -15.448 10.380 -14.285 1.00 0.00 H
ATOM 266 CD GLU D 2 -14.629 12.252 -14.884 1.00 0.00 C
ATOM 267 DCD GLU D 2 -14.629 12.252 -14.884 1.00 0.00 EP
ATOM 268 OE1 GLU D 2 -13.993 11.879 -15.907 1.00 0.00 O
ATOM 269 DOE1 GLU D 2 -13.993 11.879 -15.907 1.00 0.00 EP
ATOM 270 OE2 GLU D 2 -15.062 13.437 -14.791 1.00 0.00 O
ATOM 271 DOE2 GLU D 2 -15.062 13.437 -14.791 1.00 0.00 EP
ATOM 272 LP1A GLU D 2 -13.919 11.538 -15.884 1.00 0.00 EP
ATOM 273 LP1B GLU D 2 -13.946 12.149 -16.125 1.00 0.00 EP
ATOM 274 LP2A GLU D 2 -15.247 13.474 -14.497 1.00 0.00 EP
ATOM 275 LP2B GLU D 2 -14.958 13.624 -15.068 1.00 0.00 EP
ATOM 276 N GLU D 3 -12.079 8.477 -10.995 1.00 0.00 N
ATOM 277 DN GLU D 3 -12.079 8.477 -10.995 1.00 0.00 EP
ATOM 278 H GLU D 3 -12.133 7.840 -11.774 1.00 0.00 H
ATOM 279 CA GLU D 3 -11.085 8.129 -9.984 1.00 0.00 C
ATOM 280 DCA GLU D 3 -11.085 8.129 -9.984 1.00 0.00 EP
ATOM 281 HA GLU D 3 -10.329 8.899 -9.985 1.00 0.00 H
ATOM 282 C GLU D 3 -11.721 8.065 -8.566 1.00 0.00 C
ATOM 283 DC GLU D 3 -11.721 8.065 -8.566 1.00 0.00 EP
ATOM 284 CB GLU D 3 -10.450 6.713 -10.231 1.00 0.00 C
ATOM 285 DCB GLU D 3 -10.450 6.713 -10.231 1.00 0.00 EP
ATOM 286 HB3 GLU D 3 -11.022 5.929 -9.682 1.00 0.00 H
ATOM 287 HB2 GLU D 3 -9.434 6.731 -9.779 1.00 0.00 H
ATOM 288 CG GLU D 3 -10.343 6.221 -11.700 1.00 0.00 C
ATOM 289 DCG GLU D 3 -10.343 6.221 -11.700 1.00 0.00 EP
ATOM 290 HG3 GLU D 3 -9.863 6.993 -12.334 1.00 0.00 H
ATOM 291 HG2 GLU D 3 -9.734 5.295 -11.744 1.00 0.00 H
ATOM 292 CD GLU D 3 -11.710 5.875 -12.279 1.00 0.00 C
ATOM 293 DCD GLU D 3 -11.710 5.875 -12.279 1.00 0.00 EP
ATOM 294 OE1 GLU D 3 -12.433 5.020 -11.703 1.00 0.00 O
ATOM 295 DOE1 GLU D 3 -12.433 5.020 -11.703 1.00 0.00 EP
ATOM 296 OE2 GLU D 3 -12.106 6.584 -13.236 1.00 0.00 O
ATOM 297 DOE2 GLU D 3 -12.106 6.584 -13.236 1.00 0.00 EP
ATOM 298 LP1A GLU D 3 -12.270 4.897 -11.419 1.00 0.00 EP
ATOM 299 LP1B GLU D 3 -12.733 4.980 -11.878 1.00 0.00 EP
ATOM 300 LP2A GLU D 3 -11.866 6.827 -13.313 1.00 0.00 EP
ATOM 301 LP2B GLU D 3 -12.421 6.476 -13.343 1.00 0.00 EP
ATOM 302 O GLU D 3 -11.256 8.740 -7.613 1.00 0.00 O
ATOM 303 DOT1 GLU D 3 -11.256 8.740 -7.613 1.00 0.00 EP
ATOM 304 OXT GLU D 3 -12.705 7.296 -8.406 1.00 0.00 O
ATOM 305 DOT2 GLU D 3 -12.705 7.296 -8.406 1.00 0.00 EP
ATOM 306 LPT1 GLU D 3 -11.438 8.677 -7.321 1.00 0.00 EP
ATOM 307 LPT2 GLU D 3 -10.985 8.932 -7.724 1.00 0.00 EP
ATOM 308 LPT3 GLU D 3 -12.813 7.307 -8.074 1.00 0.00 EP
ATOM 309 LPT4 GLU D 3 -12.784 7.138 -8.709 1.00 0.00 EP
TER 310 GLU D 3
ATOM 311 N PHE E 1 -13.614 7.983 -6.056 1.00 0.00 N
ATOM 312 DN PHE E 1 -13.614 7.983 -6.056 1.00 0.00 EP
ATOM 313 H PHE E 1 -13.451 9.005 -6.031 1.00 0.00 H
ATOM 314 H2 PHE E 1 -13.037 7.625 -6.870 1.00 0.00 H
ATOM 315 H3 PHE E 1 -14.627 7.784 -6.303 1.00 0.00 H
ATOM 316 CA PHE E 1 -13.251 7.346 -4.767 1.00 0.00 C
ATOM 317 DCA PHE E 1 -13.251 7.346 -4.767 1.00 0.00 EP
ATOM 318 HA PHE E 1 -13.961 6.543 -4.615 1.00 0.00 H
ATOM 319 C PHE E 1 -13.465 8.342 -3.631 1.00 0.00 C
ATOM 320 DC PHE E 1 -13.465 8.342 -3.631 1.00 0.00 EP
ATOM 321 O PHE E 1 -13.628 9.535 -3.872 1.00 0.00 O
ATOM 322 DO PHE E 1 -13.628 9.535 -3.872 1.00 0.00 EP
ATOM 323 LPOA PHE E 1 -13.603 9.484 -4.167 1.00 0.00 EP
ATOM 324 LPOB PHE E 1 -13.654 9.596 -3.580 1.00 0.00 EP
ATOM 325 CB PHE E 1 -11.785 6.802 -4.826 1.00 0.00 C
ATOM 326 DCB PHE E 1 -11.785 6.802 -4.826 1.00 0.00 EP
ATOM 327 HB3 PHE E 1 -11.209 7.229 -5.674 1.00 0.00 H
ATOM 328 HB2 PHE E 1 -11.222 7.047 -3.899 1.00 0.00 H
ATOM 329 CG PHE E 1 -11.785 5.304 -4.988 1.00 0.00 C
ATOM 330 DCG PHE E 1 -11.785 5.304 -4.988 1.00 0.00 EP
ATOM 331 CD1 PHE E 1 -12.420 4.701 -6.087 1.00 0.00 C
ATOM 332 DCD1 PHE E 1 -12.420 4.701 -6.087 1.00 0.00 EP
ATOM 333 HD1 PHE E 1 -12.916 5.308 -6.833 1.00 0.00 H
ATOM 334 CD2 PHE E 1 -11.131 4.485 -4.050 1.00 0.00 C
ATOM 335 DCD2 PHE E 1 -11.131 4.485 -4.050 1.00 0.00 EP
ATOM 336 HD2 PHE E 1 -10.624 4.939 -3.210 1.00 0.00 H
ATOM 337 CE1 PHE E 1 -12.417 3.310 -6.239 1.00 0.00 C
ATOM 338 DCE1 PHE E 1 -12.417 3.310 -6.239 1.00 0.00 EP
ATOM 339 HE1 PHE E 1 -12.911 2.870 -7.094 1.00 0.00 H
ATOM 340 CE2 PHE E 1 -11.134 3.093 -4.193 1.00 0.00 C
ATOM 341 DCE2 PHE E 1 -11.134 3.093 -4.193 1.00 0.00 EP
ATOM 342 HE2 PHE E 1 -10.633 2.477 -3.461 1.00 0.00 H
ATOM 343 CZ PHE E 1 -11.777 2.504 -5.289 1.00 0.00 C
ATOM 344 DCZ PHE E 1 -11.777 2.504 -5.289 1.00 0.00 EP
ATOM 345 HZ PHE E 1 -11.770 1.431 -5.411 1.00 0.00 H
ATOM 346 LP PHE E 1 -11.766 3.894 -5.148 1.00 0.00 EP
ATOM 347 N PHE E 2 -13.512 7.952 -2.342 1.00 0.00 N
ATOM 348 DN PHE E 2 -13.512 7.952 -2.342 1.00 0.00 EP
ATOM 349 H PHE E 2 -13.694 8.683 -1.691 1.00 0.00 H
ATOM 350 CA PHE E 2 -13.239 6.646 -1.763 1.00 0.00 C
ATOM 351 DCA PHE E 2 -13.239 6.646 -1.763 1.00 0.00 EP
ATOM 352 HA PHE E 2 -12.766 6.017 -2.499 1.00 0.00 H
ATOM 353 C PHE E 2 -12.200 6.761 -0.665 1.00 0.00 C
ATOM 354 DC PHE E 2 -12.200 6.761 -0.665 1.00 0.00 EP
ATOM 355 O PHE E 2 -11.008 6.580 -0.907 1.00 0.00 O
ATOM 356 DO PHE E 2 -11.008 6.580 -0.907 1.00 0.00 EP
ATOM 357 LPOA PHE E 2 -11.069 6.526 -1.196 1.00 0.00 EP
ATOM 358 LPOB PHE E 2 -10.936 6.632 -0.621 1.00 0.00 EP
ATOM 359 CB PHE E 2 -14.521 5.931 -1.253 1.00 0.00 C
ATOM 360 DCB PHE E 2 -14.521 5.931 -1.253 1.00 0.00 EP
ATOM 361 HB3 PHE E 2 -14.279 5.047 -0.623 1.00 0.00 H
ATOM 362 HB2 PHE E 2 -15.162 6.621 -0.665 1.00 0.00 H
ATOM 363 CG PHE E 2 -15.280 5.433 -2.448 1.00 0.00 C
ATOM 364 DCG PHE E 2 -15.280 5.433 -2.448 1.00 0.00 EP
ATOM 365 CD1 PHE E 2 -16.370 6.150 -2.966 1.00 0.00 C
ATOM 366 DCD1 PHE E 2 -16.370 6.150 -2.966 1.00 0.00 EP
ATOM 367 HD1 PHE E 2 -16.695 7.058 -2.482 1.00 0.00 H
ATOM 368 CD2 PHE E 2 -14.854 4.265 -3.104 1.00 0.00 C
ATOM 369 DCD2 PHE E 2 -14.854 4.265 -3.104 1.00 0.00 EP
ATOM 370 HD2 PHE E 2 -14.008 3.714 -2.723 1.00 0.00 H
ATOM 371 CE1 PHE E 2 -16.993 5.733 -4.148 1.00 0.00 C
ATOM 372 DCE1 PHE E 2 -16.993 5.733 -4.148 1.00 0.00 EP
ATOM 373 HE1 PHE E 2 -17.787 6.322 -4.584 1.00 0.00 H
ATOM 374 CE2 PHE E 2 -15.477 3.845 -4.285 1.00 0.00 C
ATOM 375 DCE2 PHE E 2 -15.477 3.845 -4.285 1.00 0.00 EP
ATOM 376 HE2 PHE E 2 -15.114 2.974 -4.811 1.00 0.00 H
ATOM 377 CZ PHE E 2 -16.541 4.586 -4.812 1.00 0.00 C
ATOM 378 DCZ PHE E 2 -16.541 4.586 -4.812 1.00 0.00 EP
ATOM 379 HZ PHE E 2 -16.989 4.299 -5.754 1.00 0.00 H
ATOM 380 LP PHE E 2 -15.942 4.983 -3.620 1.00 0.00 EP
ATOM 381 N PHE E 3 -12.648 7.055 0.563 1.00 0.00 N
ATOM 382 DN PHE E 3 -12.648 7.055 0.563 1.00 0.00 EP
ATOM 383 H PHE E 3 -13.601 7.257 0.793 1.00 0.00 H
ATOM 384 CA PHE E 3 -11.853 7.132 1.759 1.00 0.00 C
ATOM 385 DCA PHE E 3 -11.853 7.132 1.759 1.00 0.00 EP
ATOM 386 HA PHE E 3 -11.023 7.800 1.581 1.00 0.00 H
ATOM 387 C PHE E 3 -12.733 7.817 2.839 1.00 0.00 C
ATOM 388 DC PHE E 3 -12.733 7.817 2.839 1.00 0.00 EP
ATOM 389 CB PHE E 3 -11.319 5.739 2.224 1.00 0.00 C
ATOM 390 DCB PHE E 3 -11.319 5.739 2.224 1.00 0.00 EP
ATOM 391 HB3 PHE E 3 -10.454 5.472 1.581 1.00 0.00 H
ATOM 392 HB2 PHE E 3 -10.969 5.798 3.275 1.00 0.00 H
ATOM 393 CG PHE E 3 -12.355 4.641 2.117 1.00 0.00 C
ATOM 394 DCG PHE E 3 -12.355 4.641 2.117 1.00 0.00 EP
ATOM 395 CD1 PHE E 3 -13.442 4.588 3.005 1.00 0.00 C
ATOM 396 DCD1 PHE E 3 -13.442 4.588 3.005 1.00 0.00 EP
ATOM 397 HD1 PHE E 3 -13.544 5.358 3.757 1.00 0.00 H
ATOM 398 CD2 PHE E 3 -12.236 3.640 1.135 1.00 0.00 C
ATOM 399 DCD2 PHE E 3 -12.236 3.640 1.135 1.00 0.00 EP
ATOM 400 HD2 PHE E 3 -11.406 3.675 0.445 1.00 0.00 H
ATOM 401 CE1 PHE E 3 -14.402 3.574 2.902 1.00 0.00 C
ATOM 402 DCE1 PHE E 3 -14.402 3.574 2.902 1.00 0.00 EP
ATOM 403 HE1 PHE E 3 -15.241 3.561 3.581 1.00 0.00 H
ATOM 404 CE2 PHE E 3 -13.192 2.622 1.028 1.00 0.00 C
ATOM 405 DCE2 PHE E 3 -13.192 2.622 1.028 1.00 0.00 EP
ATOM 406 HE2 PHE E 3 -13.095 1.868 0.261 1.00 0.00 H
ATOM 407 CZ PHE E 3 -14.277 2.590 1.912 1.00 0.00 C
ATOM 408 DCZ PHE E 3 -14.277 2.590 1.912 1.00 0.00 EP
ATOM 409 HZ PHE E 3 -15.021 1.812 1.827 1.00 0.00 H
ATOM 410 LP PHE E 3 -13.313 3.598 2.024 1.00 0.00 EP
ATOM 411 O PHE E 3 -12.209 8.093 3.951 1.00 0.00 O
ATOM 412 DOT1 PHE E 3 -12.209 8.093 3.951 1.00 0.00 EP
ATOM 413 OXT PHE E 3 -13.935 8.081 2.549 1.00 0.00 O
ATOM 414 DOT2 PHE E 3 -13.935 8.081 2.549 1.00 0.00 EP
ATOM 415 LPT1 PHE E 3 -12.443 8.249 4.158 1.00 0.00 EP
ATOM 416 LPT2 PHE E 3 -11.875 7.989 3.955 1.00 0.00 EP
ATOM 417 LPT3 PHE E 3 -14.092 8.238 2.819 1.00 0.00 EP
ATOM 418 LPT4 PHE E 3 -14.006 7.974 2.223 1.00 0.00 EP
TER 419 PHE E 3
ATOM 420 N GLY F 1 -7.248 -0.819 20.800 1.00 0.00 N
ATOM 421 DN GLY F 1 -7.248 -0.819 20.800 1.00 0.00 EP
ATOM 422 H GLY F 1 -6.330 -0.582 21.218 1.00 0.00 H
ATOM 423 H2 GLY F 1 -7.716 -1.546 21.415 1.00 0.00 H
ATOM 424 H3 GLY F 1 -6.966 -1.296 19.893 1.00 0.00 H
ATOM 425 CA GLY F 1 -8.113 0.352 20.490 1.00 0.00 C
ATOM 426 DCA GLY F 1 -8.113 0.352 20.490 1.00 0.00 EP
ATOM 427 HA3 GLY F 1 -8.450 0.763 21.430 1.00 0.00 H
ATOM 428 HA2 GLY F 1 -7.512 1.033 19.909 1.00 0.00 H
ATOM 429 C GLY F 1 -9.343 -0.020 19.699 1.00 0.00 C
ATOM 430 DC GLY F 1 -9.343 -0.020 19.699 1.00 0.00 EP
ATOM 431 O GLY F 1 -9.995 -1.013 19.993 1.00 0.00 O
ATOM 432 DO GLY F 1 -9.995 -1.013 19.993 1.00 0.00 EP
ATOM 433 LPOA GLY F 1 -9.808 -1.075 20.219 1.00 0.00 EP
ATOM 434 LPOB GLY F 1 -10.187 -0.960 19.769 1.00 0.00 EP
ATOM 435 N GLY F 2 -9.764 0.721 18.653 1.00 0.00 N
ATOM 436 DN GLY F 2 -9.764 0.721 18.653 1.00 0.00 EP
ATOM 437 H GLY F 2 -10.578 0.344 18.219 1.00 0.00 H
ATOM 438 CA GLY F 2 -9.230 1.963 18.090 1.00 0.00 C
ATOM 439 DCA GLY F 2 -9.230 1.963 18.090 1.00 0.00 EP
ATOM 440 HA3 GLY F 2 -9.755 2.130 17.161 1.00 0.00 H
ATOM 441 HA2 GLY F 2 -8.167 1.843 17.941 1.00 0.00 H
ATOM 442 C GLY F 2 -9.437 3.193 18.944 1.00 0.00 C
ATOM 443 DC GLY F 2 -9.437 3.193 18.944 1.00 0.00 EP
ATOM 444 O GLY F 2 -9.351 3.144 20.167 1.00 0.00 O
ATOM 445 DO GLY F 2 -9.351 3.144 20.167 1.00 0.00 EP
ATOM 446 LPOA GLY F 2 -9.290 2.850 20.156 1.00 0.00 EP
ATOM 447 LPOB GLY F 2 -9.411 3.437 20.188 1.00 0.00 EP
ATOM 448 N GLY F 3 -9.687 4.346 18.298 1.00 0.00 N
ATOM 449 DN GLY F 3 -9.687 4.346 18.298 1.00 0.00 EP
ATOM 450 H GLY F 3 -9.764 4.421 17.304 1.00 0.00 H
ATOM 451 CA GLY F 3 -9.968 5.608 18.956 1.00 0.00 C
ATOM 452 DCA GLY F 3 -9.968 5.608 18.956 1.00 0.00 EP
ATOM 453 HA3 GLY F 3 -9.052 5.997 19.376 1.00 0.00 H
ATOM 454 HA2 GLY F 3 -10.754 5.462 19.681 1.00 0.00 H
ATOM 455 C GLY F 3 -10.479 6.610 17.918 1.00 0.00 C
ATOM 456 DC GLY F 3 -10.479 6.610 17.918 1.00 0.00 EP
ATOM 457 O GLY F 3 -10.878 7.744 18.295 1.00 0.00 O
ATOM 458 DOT1 GLY F 3 -10.878 7.744 18.295 1.00 0.00 EP
ATOM 459 OXT GLY F 3 -10.508 6.284 16.699 1.00 0.00 O
ATOM 460 DOT2 GLY F 3 -10.508 6.284 16.699 1.00 0.00 EP
ATOM 461 LPT1 GLY F 3 -10.987 7.930 18.019 1.00 0.00 EP
ATOM 462 LPT2 GLY F 3 -10.844 7.773 18.642 1.00 0.00 EP
ATOM 463 LPT3 GLY F 3 -10.637 6.547 16.507 1.00 0.00 EP
ATOM 464 LPT4 GLY F 3 -10.385 5.959 16.659 1.00 0.00 EP
TER 465 GLY F 3
ATOM 466 N HIS G 1 -14.811 13.896 -17.361 1.00 0.00 N
ATOM 467 DN HIS G 1 -14.811 13.896 -17.361 1.00 0.00 EP
ATOM 468 H HIS G 1 -14.918 13.933 -16.304 1.00 0.00 H
ATOM 469 H2 HIS G 1 -14.455 12.914 -17.435 1.00 0.00 H
ATOM 470 H3 HIS G 1 -15.778 13.985 -17.746 1.00 0.00 H
ATOM 471 CA HIS G 1 -13.826 14.917 -17.799 1.00 0.00 C
ATOM 472 DCA HIS G 1 -13.826 14.917 -17.799 1.00 0.00 EP
ATOM 473 HA HIS G 1 -13.743 14.821 -18.872 1.00 0.00 H
ATOM 474 C HIS G 1 -14.409 16.290 -17.532 1.00 0.00 C
ATOM 475 DC HIS G 1 -14.409 16.290 -17.532 1.00 0.00 EP
ATOM 476 O HIS G 1 -14.743 16.995 -18.478 1.00 0.00 O
ATOM 477 DO HIS G 1 -14.743 16.995 -18.478 1.00 0.00 EP
ATOM 478 LPOA HIS G 1 -14.658 16.783 -18.673 1.00 0.00 EP
ATOM 479 LPOB HIS G 1 -14.831 17.213 -18.292 1.00 0.00 EP
ATOM 480 CB HIS G 1 -12.417 14.646 -17.158 1.00 0.00 C
ATOM 481 DCB HIS G 1 -12.417 14.646 -17.158 1.00 0.00 EP
ATOM 482 HB3 HIS G 1 -12.273 13.560 -16.969 1.00 0.00 H
ATOM 483 HB2 HIS G 1 -11.650 14.939 -17.909 1.00 0.00 H
ATOM 484 ND1 HIS G 1 -11.593 16.691 -15.896 1.00 0.00 N
ATOM 485 DND1 HIS G 1 -11.593 16.691 -15.896 1.00 0.00 EP
ATOM 486 HD1 HIS G 1 -11.462 17.290 -16.701 1.00 0.00 H
ATOM 487 CG HIS G 1 -12.078 15.400 -15.898 1.00 0.00 C
ATOM 488 DCG HIS G 1 -12.078 15.400 -15.898 1.00 0.00 EP
ATOM 489 CE1 HIS G 1 -11.413 17.046 -14.604 1.00 0.00 C
ATOM 490 DCE1 HIS G 1 -11.413 17.046 -14.604 1.00 0.00 EP
ATOM 491 HE1 HIS G 1 -11.102 18.046 -14.298 1.00 0.00 H
ATOM 492 NE2 HIS G 1 -11.716 16.065 -13.780 1.00 0.00 N
ATOM 493 DNE2 HIS G 1 -11.716 16.065 -13.780 1.00 0.00 EP
ATOM 494 LPE2 HIS G 1 -11.694 16.079 -13.431 1.00 0.00 EP
ATOM 495 CD2 HIS G 1 -12.123 15.019 -14.590 1.00 0.00 C
ATOM 496 DCD2 HIS G 1 -12.123 15.019 -14.590 1.00 0.00 EP
ATOM 497 HD2 HIS G 1 -12.435 14.077 -14.153 1.00 0.00 H
ATOM 498 LPA HIS G 1 -11.813 16.014 -14.964 1.00 0.00 EP
ATOM 499 N HIS G 2 -14.639 16.647 -16.248 1.00 0.00 N
ATOM 500 DN HIS G 2 -14.639 16.647 -16.248 1.00 0.00 EP
ATOM 501 H HIS G 2 -14.264 16.102 -15.498 1.00 0.00 H
ATOM 502 CA HIS G 2 -15.429 17.793 -15.824 1.00 0.00 C
ATOM 503 DCA HIS G 2 -15.429 17.793 -15.824 1.00 0.00 EP
ATOM 504 HA HIS G 2 -15.534 17.682 -14.756 1.00 0.00 H
ATOM 505 C HIS G 2 -14.678 19.107 -16.015 1.00 0.00 C
ATOM 506 DC HIS G 2 -14.678 19.107 -16.015 1.00 0.00 EP
ATOM 507 O HIS G 2 -13.628 19.312 -15.408 1.00 0.00 O
ATOM 508 DO HIS G 2 -13.628 19.312 -15.408 1.00 0.00 EP
ATOM 509 LPOA HIS G 2 -13.645 19.043 -15.276 1.00 0.00 EP
ATOM 510 LPOB HIS G 2 -13.601 19.582 -15.535 1.00 0.00 EP
ATOM 511 CB HIS G 2 -16.864 17.764 -16.434 1.00 0.00 C
ATOM 512 DCB HIS G 2 -16.864 17.764 -16.434 1.00 0.00 EP
ATOM 513 HB3 HIS G 2 -16.865 18.190 -17.460 1.00 0.00 H
ATOM 514 HB2 HIS G 2 -17.561 18.363 -15.810 1.00 0.00 H
ATOM 515 ND1 HIS G 2 -17.419 15.402 -15.582 1.00 0.00 N
ATOM 516 DND1 HIS G 2 -17.419 15.402 -15.582 1.00 0.00 EP
ATOM 517 HD1 HIS G 2 -17.163 15.530 -14.622 1.00 0.00 H
ATOM 518 CG HIS G 2 -17.363 16.346 -16.589 1.00 0.00 C
ATOM 519 DCG HIS G 2 -17.363 16.346 -16.589 1.00 0.00 EP
ATOM 520 CE1 HIS G 2 -17.663 14.205 -16.168 1.00 0.00 C
ATOM 521 DCE1 HIS G 2 -17.663 14.205 -16.168 1.00 0.00 EP
ATOM 522 HE1 HIS G 2 -17.703 13.269 -15.604 1.00 0.00 H
ATOM 523 NE2 HIS G 2 -17.752 14.314 -17.483 1.00 0.00 N
ATOM 524 DNE2 HIS G 2 -17.752 14.314 -17.483 1.00 0.00 EP
ATOM 525 LPE2 HIS G 2 -17.803 14.050 -17.707 1.00 0.00 EP
ATOM 526 CD2 HIS G 2 -17.600 15.666 -17.744 1.00 0.00 C
ATOM 527 DCD2 HIS G 2 -17.600 15.666 -17.744 1.00 0.00 EP
ATOM 528 HD2 HIS G 2 -17.606 16.032 -18.765 1.00 0.00 H
ATOM 529 LPA HIS G 2 -17.555 15.219 -16.733 1.00 0.00 EP
ATOM 530 N HIS G 3 -15.193 20.023 -16.846 1.00 0.00 N
ATOM 531 DN HIS G 3 -15.193 20.023 -16.846 1.00 0.00 EP
ATOM 532 H HIS G 3 -16.099 19.975 -17.263 1.00 0.00 H
ATOM 533 CA HIS G 3 -14.569 21.277 -17.177 1.00 0.00 C
ATOM 534 DCA HIS G 3 -14.569 21.277 -17.177 1.00 0.00 EP
ATOM 535 HA HIS G 3 -14.057 21.677 -16.314 1.00 0.00 H
ATOM 536 C HIS G 3 -15.703 22.254 -17.548 1.00 0.00 C
ATOM 537 DC HIS G 3 -15.703 22.254 -17.548 1.00 0.00 EP
ATOM 538 CB HIS G 3 -13.635 21.152 -18.407 1.00 0.00 C
ATOM 539 DCB HIS G 3 -13.635 21.152 -18.407 1.00 0.00 EP
ATOM 540 HB3 HIS G 3 -14.242 20.810 -19.273 1.00 0.00 H
ATOM 541 HB2 HIS G 3 -13.220 22.153 -18.656 1.00 0.00 H
ATOM 542 ND1 HIS G 3 -11.430 20.412 -17.384 1.00 0.00 N
ATOM 543 DND1 HIS G 3 -11.430 20.412 -17.384 1.00 0.00 EP
ATOM 544 HD1 HIS G 3 -11.354 21.188 -16.758 1.00 0.00 H
ATOM 545 CG HIS G 3 -12.511 20.173 -18.202 1.00 0.00 C
ATOM 546 DCG HIS G 3 -12.511 20.173 -18.202 1.00 0.00 EP
ATOM 547 CE1 HIS G 3 -10.617 19.334 -17.471 1.00 0.00 C
ATOM 548 DCE1 HIS G 3 -10.617 19.334 -17.471 1.00 0.00 EP
ATOM 549 HE1 HIS G 3 -9.686 19.243 -16.911 1.00 0.00 H
ATOM 550 NE2 HIS G 3 -11.097 18.417 -18.290 1.00 0.00 N
ATOM 551 DNE2 HIS G 3 -11.097 18.417 -18.290 1.00 0.00 EP
ATOM 552 LPE2 HIS G 3 -10.946 18.109 -18.364 1.00 0.00 EP
ATOM 553 CD2 HIS G 3 -12.288 18.953 -18.762 1.00 0.00 C
ATOM 554 DCD2 HIS G 3 -12.288 18.953 -18.762 1.00 0.00 EP
ATOM 555 HD2 HIS G 3 -12.894 18.414 -19.479 1.00 0.00 H
ATOM 556 LPA HIS G 3 -11.624 19.458 -18.039 1.00 0.00 EP
ATOM 557 O HIS G 3 -15.404 23.466 -17.707 1.00 0.00 O
ATOM 558 DOT1 HIS G 3 -15.404 23.466 -17.707 1.00 0.00 EP
ATOM 559 OXT HIS G 3 -16.867 21.786 -17.694 1.00 0.00 O
ATOM 560 DOT2 HIS G 3 -16.867 21.786 -17.694 1.00 0.00 EP
ATOM 561 LPT1 HIS G 3 -15.689 23.649 -17.797 1.00 0.00 EP
ATOM 562 LPT2 HIS G 3 -15.062 23.514 -17.648 1.00 0.00 EP
ATOM 563 LPT3 HIS G 3 -17.088 22.042 -17.784 1.00 0.00 EP
ATOM 564 LPT4 HIS G 3 -16.866 21.441 -17.632 1.00 0.00 EP
TER 565 HIS G 3
ATOM 566 N ILE H 1 -15.341 19.553 0.370 1.00 0.00 N
ATOM 567 DN ILE H 1 -15.341 19.553 0.370 1.00 0.00 EP
ATOM 568 H ILE H 1 -14.883 19.679 -0.552 1.00 0.00 H
ATOM 569 H2 ILE H 1 -15.794 18.617 0.410 1.00 0.00 H
ATOM 570 H3 ILE H 1 -16.079 20.278 0.523 1.00 0.00 H
ATOM 571 CA ILE H 1 -14.356 19.651 1.502 1.00 0.00 C
ATOM 572 DCA ILE H 1 -14.356 19.651 1.502 1.00 0.00 EP
ATOM 573 HA ILE H 1 -13.676 20.463 1.279 1.00 0.00 H
ATOM 574 C ILE H 1 -15.097 20.060 2.762 1.00 0.00 C
ATOM 575 DC ILE H 1 -15.097 20.060 2.762 1.00 0.00 EP
ATOM 576 O ILE H 1 -16.200 20.577 2.625 1.00 0.00 O
ATOM 577 DO ILE H 1 -16.200 20.577 2.625 1.00 0.00 EP
ATOM 578 LPOA ILE H 1 -16.179 20.554 2.326 1.00 0.00 EP
ATOM 579 LPOB ILE H 1 -16.230 20.604 2.922 1.00 0.00 EP
ATOM 580 CB ILE H 1 -13.574 18.342 1.629 1.00 0.00 C
ATOM 581 DCB ILE H 1 -13.574 18.342 1.629 1.00 0.00 EP
ATOM 582 HB ILE H 1 -12.876 18.421 2.498 1.00 0.00 H
ATOM 583 CG2 ILE H 1 -14.520 17.142 1.879 1.00 0.00 C
ATOM 584 DCG2 ILE H 1 -14.520 17.142 1.879 1.00 0.00 EP
ATOM 585 HG21 ILE H 1 -13.919 16.229 2.091 1.00 0.00 H
ATOM 586 HG22 ILE H 1 -15.149 16.907 0.996 1.00 0.00 H
ATOM 587 HG23 ILE H 1 -15.178 17.301 2.760 1.00 0.00 H
ATOM 588 CG1 ILE H 1 -12.669 18.120 0.391 1.00 0.00 C
ATOM 589 DCG1 ILE H 1 -12.669 18.120 0.391 1.00 0.00 EP
ATOM 590 HG13 ILE H 1 -12.130 19.066 0.153 1.00 0.00 H
ATOM 591 HG12 ILE H 1 -13.282 17.843 -0.496 1.00 0.00 H
ATOM 592 CD1 ILE H 1 -11.612 17.031 0.612 1.00 0.00 C
ATOM 593 DCD1 ILE H 1 -11.612 17.031 0.612 1.00 0.00 EP
ATOM 594 HD11 ILE H 1 -12.082 16.038 0.778 1.00 0.00 H
ATOM 595 HD12 ILE H 1 -10.951 16.943 -0.279 1.00 0.00 H
ATOM 596 HD13 ILE H 1 -10.972 17.264 1.490 1.00 0.00 H
ATOM 597 N ILE H 2 -14.535 19.874 3.979 1.00 0.00 N
ATOM 598 DN ILE H 2 -14.535 19.874 3.979 1.00 0.00 EP
ATOM 599 H ILE H 2 -13.635 19.467 4.100 1.00 0.00 H
ATOM 600 CA ILE H 2 -15.202 20.230 5.230 1.00 0.00 C
ATOM 601 DCA ILE H 2 -15.202 20.230 5.230 1.00 0.00 EP
ATOM 602 HA ILE H 2 -16.144 20.706 4.990 1.00 0.00 H
ATOM 603 C ILE H 2 -15.634 18.971 5.985 1.00 0.00 C
ATOM 604 DC ILE H 2 -15.634 18.971 5.985 1.00 0.00 EP
ATOM 605 O ILE H 2 -16.817 18.653 5.999 1.00 0.00 O
ATOM 606 DO ILE H 2 -16.817 18.653 5.999 1.00 0.00 EP
ATOM 607 LPOA ILE H 2 -16.888 18.891 5.831 1.00 0.00 EP
ATOM 608 LPOB ILE H 2 -16.756 18.412 6.167 1.00 0.00 EP
ATOM 609 CB ILE H 2 -14.447 21.270 6.066 1.00 0.00 C
ATOM 610 DCB ILE H 2 -14.447 21.270 6.066 1.00 0.00 EP
ATOM 611 HB ILE H 2 -13.409 20.920 6.260 1.00 0.00 H
ATOM 612 CG2 ILE H 2 -14.332 22.573 5.239 1.00 0.00 C
ATOM 613 DCG2 ILE H 2 -14.332 22.573 5.239 1.00 0.00 EP
ATOM 614 HG21 ILE H 2 -13.844 23.365 5.846 1.00 0.00 H
ATOM 615 HG22 ILE H 2 -15.336 22.937 4.934 1.00 0.00 H
ATOM 616 HG23 ILE H 2 -13.721 22.416 4.327 1.00 0.00 H
ATOM 617 CG1 ILE H 2 -15.095 21.553 7.451 1.00 0.00 C
ATOM 618 DCG1 ILE H 2 -15.095 21.553 7.451 1.00 0.00 EP
ATOM 619 HG13 ILE H 2 -15.027 20.639 8.083 1.00 0.00 H
ATOM 620 HG12 ILE H 2 -14.479 22.331 7.956 1.00 0.00 H
ATOM 621 CD1 ILE H 2 -16.555 22.027 7.406 1.00 0.00 C
ATOM 622 DCD1 ILE H 2 -16.555 22.027 7.406 1.00 0.00 EP
ATOM 623 HD11 ILE H 2 -16.654 22.960 6.811 1.00 0.00 H
ATOM 624 HD12 ILE H 2 -17.212 21.252 6.957 1.00 0.00 H
ATOM 625 HD13 ILE H 2 -16.925 22.233 8.433 1.00 0.00 H
ATOM 626 N ILE H 3 -14.765 18.174 6.638 1.00 0.00 N
ATOM 627 DN ILE H 3 -14.765 18.174 6.638 1.00 0.00 EP
ATOM 628 H ILE H 3 -15.175 17.436 7.162 1.00 0.00 H
ATOM 629 CA ILE H 3 -13.315 18.208 6.702 1.00 0.00 C
ATOM 630 DCA ILE H 3 -13.315 18.208 6.702 1.00 0.00 EP
ATOM 631 HA ILE H 3 -12.928 18.914 5.988 1.00 0.00 H
ATOM 632 C ILE H 3 -12.897 18.678 8.109 1.00 0.00 C
ATOM 633 DC ILE H 3 -12.897 18.678 8.109 1.00 0.00 EP
ATOM 634 CB ILE H 3 -12.678 16.847 6.404 1.00 0.00 C
ATOM 635 DCB ILE H 3 -12.678 16.847 6.404 1.00 0.00 EP
ATOM 636 HB ILE H 3 -12.994 16.124 7.192 1.00 0.00 H
ATOM 637 CG2 ILE H 3 -11.137 16.989 6.445 1.00 0.00 C
ATOM 638 DCG2 ILE H 3 -11.137 16.989 6.445 1.00 0.00 EP
ATOM 639 HG21 ILE H 3 -10.792 17.348 7.437 1.00 0.00 H
ATOM 640 HG22 ILE H 3 -10.646 16.012 6.258 1.00 0.00 H
ATOM 641 HG23 ILE H 3 -10.793 17.709 5.674 1.00 0.00 H
ATOM 642 CG1 ILE H 3 -13.151 16.289 5.037 1.00 0.00 C
ATOM 643 DCG1 ILE H 3 -13.151 16.289 5.037 1.00 0.00 EP
ATOM 644 HG13 ILE H 3 -12.792 16.971 4.240 1.00 0.00 H
ATOM 645 HG12 ILE H 3 -14.263 16.272 5.002 1.00 0.00 H
ATOM 646 CD1 ILE H 3 -12.660 14.867 4.739 1.00 0.00 C
ATOM 647 DCD1 ILE H 3 -12.660 14.867 4.739 1.00 0.00 EP
ATOM 648 HD11 ILE H 3 -11.555 14.832 4.635 1.00 0.00 H
ATOM 649 HD12 ILE H 3 -12.955 14.171 5.554 1.00 0.00 H
ATOM 650 HD13 ILE H 3 -13.102 14.489 3.792 1.00 0.00 H
ATOM 651 O ILE H 3 -12.225 19.737 8.216 1.00 0.00 O
ATOM 652 DOT1 ILE H 3 -12.225 19.737 8.216 1.00 0.00 EP
ATOM 653 OXT ILE H 3 -13.219 18.004 9.126 1.00 0.00 O
ATOM 654 DOT2 ILE H 3 -13.219 18.004 9.126 1.00 0.00 EP
ATOM 655 LPT1 ILE H 3 -12.153 19.799 8.552 1.00 0.00 EP
ATOM 656 LPT2 ILE H 3 -12.169 19.876 7.899 1.00 0.00 EP
ATOM 657 LPT3 ILE H 3 -13.095 18.157 9.415 1.00 0.00 EP
ATOM 658 LPT4 ILE H 3 -13.404 17.723 9.029 1.00 0.00 EP
TER 659 ILE H 3
ATOM 660 N LYS I 1 -12.560 15.382 12.882 1.00 0.00 N
ATOM 661 DN LYS I 1 -12.560 15.382 12.882 1.00 0.00 EP
ATOM 662 H LYS I 1 -11.791 15.038 12.280 1.00 0.00 H
ATOM 663 H2 LYS I 1 -13.465 15.302 12.381 1.00 0.00 H
ATOM 664 H3 LYS I 1 -12.383 16.419 13.055 1.00 0.00 H
ATOM 665 CA LYS I 1 -12.591 14.682 14.208 1.00 0.00 C
ATOM 666 DCA LYS I 1 -12.591 14.682 14.208 1.00 0.00 EP
ATOM 667 HA LYS I 1 -11.643 14.886 14.686 1.00 0.00 H
ATOM 668 C LYS I 1 -13.691 15.277 15.079 1.00 0.00 C
ATOM 669 DC LYS I 1 -13.691 15.277 15.079 1.00 0.00 EP
ATOM 670 O LYS I 1 -14.857 14.921 14.970 1.00 0.00 O
ATOM 671 DO LYS I 1 -14.857 14.921 14.970 1.00 0.00 EP
ATOM 672 LPOA LYS I 1 -14.783 14.728 14.752 1.00 0.00 EP
ATOM 673 LPOB LYS I 1 -14.940 15.110 15.187 1.00 0.00 EP
ATOM 674 CB LYS I 1 -12.750 13.138 14.027 1.00 0.00 C
ATOM 675 DCB LYS I 1 -12.750 13.138 14.027 1.00 0.00 EP
ATOM 676 HB3 LYS I 1 -12.146 12.816 13.147 1.00 0.00 H
ATOM 677 HB2 LYS I 1 -13.807 12.868 13.810 1.00 0.00 H
ATOM 678 CG LYS I 1 -12.222 12.316 15.225 1.00 0.00 C
ATOM 679 DCG LYS I 1 -12.222 12.316 15.225 1.00 0.00 EP
ATOM 680 HG3 LYS I 1 -12.806 12.580 16.136 1.00 0.00 H
ATOM 681 HG2 LYS I 1 -11.159 12.590 15.414 1.00 0.00 H
ATOM 682 CD LYS I 1 -12.302 10.787 15.006 1.00 0.00 C
ATOM 683 DCD LYS I 1 -12.302 10.787 15.006 1.00 0.00 EP
ATOM 684 HD3 LYS I 1 -11.745 10.534 14.075 1.00 0.00 H
ATOM 685 HD2 LYS I 1 -13.369 10.507 14.851 1.00 0.00 H
ATOM 686 CE LYS I 1 -11.722 9.969 16.179 1.00 0.00 C
ATOM 687 DCE LYS I 1 -11.722 9.969 16.179 1.00 0.00 EP
ATOM 688 HE3 LYS I 1 -12.280 10.189 17.117 1.00 0.00 H
ATOM 689 HE2 LYS I 1 -10.652 10.228 16.338 1.00 0.00 H
ATOM 690 NZ LYS I 1 -11.801 8.516 15.939 1.00 0.00 N
ATOM 691 DNZ LYS I 1 -11.801 8.516 15.939 1.00 0.00 EP
ATOM 692 HZ1 LYS I 1 -11.205 8.179 15.162 1.00 0.00 H
ATOM 693 HZ2 LYS I 1 -12.762 8.154 15.839 1.00 0.00 H
ATOM 694 HZ3 LYS I 1 -11.387 8.022 16.796 1.00 0.00 H
ATOM 695 N LYS I 2 -13.316 16.266 15.906 1.00 0.00 N
ATOM 696 DN LYS I 2 -13.316 16.266 15.906 1.00 0.00 EP
ATOM 697 H LYS I 2 -12.352 16.564 15.862 1.00 0.00 H
ATOM 698 CA LYS I 2 -14.192 17.250 16.506 1.00 0.00 C
ATOM 699 DCA LYS I 2 -14.192 17.250 16.506 1.00 0.00 EP
ATOM 700 HA LYS I 2 -14.711 17.758 15.703 1.00 0.00 H
ATOM 701 C LYS I 2 -13.340 18.308 17.210 1.00 0.00 C
ATOM 702 DC LYS I 2 -13.340 18.308 17.210 1.00 0.00 EP
ATOM 703 O LYS I 2 -13.361 18.421 18.437 1.00 0.00 O
ATOM 704 DO LYS I 2 -13.361 18.421 18.437 1.00 0.00 EP
ATOM 705 LPOA LYS I 2 -13.558 18.196 18.459 1.00 0.00 EP
ATOM 706 LPOB LYS I 2 -13.163 18.646 18.425 1.00 0.00 EP
ATOM 707 CB LYS I 2 -15.254 16.670 17.489 1.00 0.00 C
ATOM 708 DCB LYS I 2 -15.254 16.670 17.489 1.00 0.00 EP
ATOM 709 HB3 LYS I 2 -15.784 17.507 17.990 1.00 0.00 H
ATOM 710 HB2 LYS I 2 -16.030 16.138 16.890 1.00 0.00 H
ATOM 711 CG LYS I 2 -14.704 15.666 18.522 1.00 0.00 C
ATOM 712 DCG LYS I 2 -14.704 15.666 18.522 1.00 0.00 EP
ATOM 713 HG3 LYS I 2 -13.629 15.856 18.731 1.00 0.00 H
ATOM 714 HG2 LYS I 2 -14.752 14.654 18.051 1.00 0.00 H
ATOM 715 CD LYS I 2 -15.498 15.641 19.843 1.00 0.00 C
ATOM 716 DCD LYS I 2 -15.498 15.641 19.843 1.00 0.00 EP
ATOM 717 HD3 LYS I 2 -16.531 16.017 19.675 1.00 0.00 H
ATOM 718 HD2 LYS I 2 -15.600 14.573 20.153 1.00 0.00 H
ATOM 719 CE LYS I 2 -14.816 16.370 21.014 1.00 0.00 C
ATOM 720 DCE LYS I 2 -14.816 16.370 21.014 1.00 0.00 EP
ATOM 721 HE3 LYS I 2 -13.816 15.921 21.206 1.00 0.00 H
ATOM 722 HE2 LYS I 2 -15.430 16.285 21.937 1.00 0.00 H
ATOM 723 NZ LYS I 2 -14.623 17.807 20.722 1.00 0.00 N
ATOM 724 DNZ LYS I 2 -14.623 17.807 20.722 1.00 0.00 EP
ATOM 725 HZ1 LYS I 2 -14.075 17.916 19.827 1.00 0.00 H
ATOM 726 HZ2 LYS I 2 -15.536 18.281 20.593 1.00 0.00 H
ATOM 727 HZ3 LYS I 2 -14.091 18.270 21.483 1.00 0.00 H
ATOM 728 N LYS I 3 -12.529 19.129 16.516 1.00 0.00 N
ATOM 729 DN LYS I 3 -12.529 19.129 16.516 1.00 0.00 EP
ATOM 730 H LYS I 3 -11.920 19.701 17.054 1.00 0.00 H
ATOM 731 CA LYS I 3 -12.441 19.380 15.087 1.00 0.00 C
ATOM 732 DCA LYS I 3 -12.441 19.380 15.087 1.00 0.00 EP
ATOM 733 HA LYS I 3 -13.444 19.595 14.748 1.00 0.00 H
ATOM 734 C LYS I 3 -11.928 18.196 14.222 1.00 0.00 C
ATOM 735 DC LYS I 3 -11.928 18.196 14.222 1.00 0.00 EP
ATOM 736 CB LYS I 3 -11.559 20.643 14.868 1.00 0.00 C
ATOM 737 DCB LYS I 3 -11.559 20.643 14.868 1.00 0.00 EP
ATOM 738 HB3 LYS I 3 -12.054 21.499 15.379 1.00 0.00 H
ATOM 739 HB2 LYS I 3 -10.580 20.470 15.371 1.00 0.00 H
ATOM 740 CG LYS I 3 -11.281 21.035 13.404 1.00 0.00 C
ATOM 741 DCG LYS I 3 -11.281 21.035 13.404 1.00 0.00 EP
ATOM 742 HG3 LYS I 3 -10.660 21.959 13.381 1.00 0.00 H
ATOM 743 HG2 LYS I 3 -10.648 20.227 12.974 1.00 0.00 H
ATOM 744 CD LYS I 3 -12.554 21.260 12.561 1.00 0.00 C
ATOM 745 DCD LYS I 3 -12.554 21.260 12.561 1.00 0.00 EP
ATOM 746 HD3 LYS I 3 -12.891 22.313 12.691 1.00 0.00 H
ATOM 747 HD2 LYS I 3 -13.378 20.615 12.936 1.00 0.00 H
ATOM 748 CE LYS I 3 -12.404 20.954 11.064 1.00 0.00 C
ATOM 749 DCE LYS I 3 -12.404 20.954 11.064 1.00 0.00 EP
ATOM 750 HE3 LYS I 3 -11.657 21.617 10.578 1.00 0.00 H
ATOM 751 HE2 LYS I 3 -13.384 21.077 10.547 1.00 0.00 H
ATOM 752 NZ LYS I 3 -11.974 19.560 10.890 1.00 0.00 N
ATOM 753 DNZ LYS I 3 -11.974 19.560 10.890 1.00 0.00 EP
ATOM 754 HZ1 LYS I 3 -12.415 19.172 9.999 1.00 0.00 H
ATOM 755 HZ2 LYS I 3 -12.268 18.959 11.703 1.00 0.00 H
ATOM 756 HZ3 LYS I 3 -10.953 19.497 10.758 1.00 0.00 H
ATOM 757 O LYS I 3 -12.418 18.040 13.070 1.00 0.00 O
ATOM 758 DOT1 LYS I 3 -12.418 18.040 13.070 1.00 0.00 EP
ATOM 759 OXT LYS I 3 -11.131 17.353 14.705 1.00 0.00 O
ATOM 760 DOT2 LYS I 3 -11.131 17.353 14.705 1.00 0.00 EP
ATOM 761 LPT1 LYS I 3 -12.298 17.743 12.928 1.00 0.00 EP
ATOM 762 LPT2 LYS I 3 -12.631 18.307 12.993 1.00 0.00 EP
ATOM 763 LPT3 LYS I 3 -11.079 17.093 14.476 1.00 0.00 EP
ATOM 764 LPT4 LYS I 3 -11.031 17.452 15.025 1.00 0.00 EP
TER 765 LYS I 3
ATOM 766 N LEU J 1 2.127 -17.180 -19.772 1.00 0.00 N
ATOM 767 DN LEU J 1 2.127 -17.180 -19.772 1.00 0.00 EP
ATOM 768 H LEU J 1 2.340 -17.772 -20.618 1.00 0.00 H
ATOM 769 H2 LEU J 1 2.221 -17.452 -18.751 1.00 0.00 H
ATOM 770 H3 LEU J 1 1.341 -17.833 -19.699 1.00 0.00 H
ATOM 771 CA LEU J 1 3.642 -17.260 -19.709 1.00 0.00 C
ATOM 772 DCA LEU J 1 3.642 -17.260 -19.709 1.00 0.00 EP
ATOM 773 HA LEU J 1 4.064 -16.331 -20.077 1.00 0.00 H
ATOM 774 C LEU J 1 4.052 -17.427 -18.267 1.00 0.00 C
ATOM 775 DC LEU J 1 4.052 -17.427 -18.267 1.00 0.00 EP
ATOM 776 O LEU J 1 3.196 -17.802 -17.470 1.00 0.00 O
ATOM 777 DO LEU J 1 3.196 -17.802 -17.470 1.00 0.00 EP
ATOM 778 LPOA LEU J 1 2.991 -17.814 -17.689 1.00 0.00 EP
ATOM 779 LPOB LEU J 1 3.394 -17.793 -17.245 1.00 0.00 EP
ATOM 780 CB LEU J 1 4.091 -18.452 -20.593 1.00 0.00 C
ATOM 781 DCB LEU J 1 4.091 -18.452 -20.593 1.00 0.00 EP
ATOM 782 HB3 LEU J 1 3.742 -19.432 -20.203 1.00 0.00 H
ATOM 783 HB2 LEU J 1 5.207 -18.483 -20.547 1.00 0.00 H
ATOM 784 CG LEU J 1 3.734 -18.328 -22.096 1.00 0.00 C
ATOM 785 DCG LEU J 1 3.734 -18.328 -22.096 1.00 0.00 EP
ATOM 786 HG LEU J 1 3.806 -17.252 -22.393 1.00 0.00 H
ATOM 787 CD1 LEU J 1 2.340 -18.865 -22.464 1.00 0.00 C
ATOM 788 DCD1 LEU J 1 2.340 -18.865 -22.464 1.00 0.00 EP
ATOM 789 HD11 LEU J 1 1.510 -18.244 -22.078 1.00 0.00 H
ATOM 790 HD12 LEU J 1 2.239 -18.878 -23.573 1.00 0.00 H
ATOM 791 HD13 LEU J 1 2.221 -19.913 -22.113 1.00 0.00 H
ATOM 792 CD2 LEU J 1 4.787 -19.065 -22.937 1.00 0.00 C
ATOM 793 DCD2 LEU J 1 4.787 -19.065 -22.937 1.00 0.00 EP
ATOM 794 HD21 LEU J 1 5.796 -18.626 -22.761 1.00 0.00 H
ATOM 795 HD22 LEU J 1 4.566 -18.971 -24.021 1.00 0.00 H
ATOM 796 HD23 LEU J 1 4.826 -20.143 -22.675 1.00 0.00 H
ATOM 797 N LEU J 2 5.305 -17.118 -17.940 1.00 0.00 N
ATOM 798 DN LEU J 2 5.305 -17.118 -17.940 1.00 0.00 EP
ATOM 799 H LEU J 2 5.924 -16.851 -18.703 1.00 0.00 H
ATOM 800 CA LEU J 2 5.950 -17.234 -16.644 1.00 0.00 C
ATOM 801 DCA LEU J 2 5.950 -17.234 -16.644 1.00 0.00 EP
ATOM 802 HA LEU J 2 5.479 -18.018 -16.067 1.00 0.00 H
ATOM 803 C LEU J 2 7.357 -17.689 -16.981 1.00 0.00 C
ATOM 804 DC LEU J 2 7.357 -17.689 -16.981 1.00 0.00 EP
ATOM 805 O LEU J 2 7.903 -18.603 -16.371 1.00 0.00 O
ATOM 806 DO LEU J 2 7.903 -18.603 -16.371 1.00 0.00 EP
ATOM 807 LPOA LEU J 2 7.661 -18.639 -16.198 1.00 0.00 EP
ATOM 808 LPOB LEU J 2 8.150 -18.575 -16.539 1.00 0.00 EP
ATOM 809 CB LEU J 2 6.006 -15.900 -15.845 1.00 0.00 C
ATOM 810 DCB LEU J 2 6.006 -15.900 -15.845 1.00 0.00 EP
ATOM 811 HB3 LEU J 2 6.604 -15.136 -16.387 1.00 0.00 H
ATOM 812 HB2 LEU J 2 6.537 -16.117 -14.889 1.00 0.00 H
ATOM 813 CG LEU J 2 4.633 -15.282 -15.495 1.00 0.00 C
ATOM 814 DCG LEU J 2 4.633 -15.282 -15.495 1.00 0.00 EP
ATOM 815 HG LEU J 2 3.880 -16.104 -15.459 1.00 0.00 H
ATOM 816 CD1 LEU J 2 4.185 -14.236 -16.529 1.00 0.00 C
ATOM 817 DCD1 LEU J 2 4.185 -14.236 -16.529 1.00 0.00 EP
ATOM 818 HD11 LEU J 2 4.149 -14.666 -17.549 1.00 0.00 H
ATOM 819 HD12 LEU J 2 4.897 -13.383 -16.540 1.00 0.00 H
ATOM 820 HD13 LEU J 2 3.179 -13.844 -16.271 1.00 0.00 H
ATOM 821 CD2 LEU J 2 4.669 -14.634 -14.101 1.00 0.00 C
ATOM 822 DCD2 LEU J 2 4.669 -14.634 -14.101 1.00 0.00 EP
ATOM 823 HD21 LEU J 2 4.940 -15.384 -13.328 1.00 0.00 H
ATOM 824 HD22 LEU J 2 5.420 -13.815 -14.076 1.00 0.00 H
ATOM 825 HD23 LEU J 2 3.676 -14.208 -13.844 1.00 0.00 H
ATOM 826 N LEU J 3 7.889 -17.043 -18.036 1.00 0.00 N
ATOM 827 DN LEU J 3 7.889 -17.043 -18.036 1.00 0.00 EP
ATOM 828 H LEU J 3 7.500 -16.173 -18.318 1.00 0.00 H
ATOM 829 CA LEU J 3 8.546 -17.619 -19.193 1.00 0.00 C
ATOM 830 DCA LEU J 3 8.546 -17.619 -19.193 1.00 0.00 EP
ATOM 831 HA LEU J 3 9.502 -17.127 -19.288 1.00 0.00 H
ATOM 832 C LEU J 3 7.685 -17.150 -20.405 1.00 0.00 C
ATOM 833 DC LEU J 3 7.685 -17.150 -20.405 1.00 0.00 EP
ATOM 834 CB LEU J 3 8.795 -19.165 -19.202 1.00 0.00 C
ATOM 835 DCB LEU J 3 8.795 -19.165 -19.202 1.00 0.00 EP
ATOM 836 HB3 LEU J 3 9.443 -19.400 -20.075 1.00 0.00 H
ATOM 837 HB2 LEU J 3 9.385 -19.396 -18.290 1.00 0.00 H
ATOM 838 CG LEU J 3 7.564 -20.106 -19.250 1.00 0.00 C
ATOM 839 DCG LEU J 3 7.564 -20.106 -19.250 1.00 0.00 EP
ATOM 840 HG LEU J 3 6.671 -19.541 -18.903 1.00 0.00 H
ATOM 841 CD1 LEU J 3 7.293 -20.614 -20.675 1.00 0.00 C
ATOM 842 DCD1 LEU J 3 7.293 -20.614 -20.675 1.00 0.00 EP
ATOM 843 HD11 LEU J 3 7.172 -19.759 -21.372 1.00 0.00 H
ATOM 844 HD12 LEU J 3 6.376 -21.236 -20.706 1.00 0.00 H
ATOM 845 HD13 LEU J 3 8.150 -21.223 -21.032 1.00 0.00 H
ATOM 846 CD2 LEU J 3 7.751 -21.316 -18.318 1.00 0.00 C
ATOM 847 DCD2 LEU J 3 7.751 -21.316 -18.318 1.00 0.00 EP
ATOM 848 HD21 LEU J 3 8.638 -21.905 -18.633 1.00 0.00 H
ATOM 849 HD22 LEU J 3 7.908 -20.978 -17.272 1.00 0.00 H
ATOM 850 HD23 LEU J 3 6.858 -21.973 -18.348 1.00 0.00 H
ATOM 851 O LEU J 3 6.634 -16.475 -20.172 1.00 0.00 O
ATOM 852 DOT1 LEU J 3 6.634 -16.475 -20.172 1.00 0.00 EP
ATOM 853 OXT LEU J 3 8.056 -17.442 -21.566 1.00 0.00 O
ATOM 854 DOT2 LEU J 3 8.056 -17.442 -21.566 1.00 0.00 EP
ATOM 855 LPT1 LEU J 3 6.477 -16.391 -20.473 1.00 0.00 EP
ATOM 856 LPT2 LEU J 3 6.593 -16.432 -19.827 1.00 0.00 EP
ATOM 857 LPT3 LEU J 3 7.831 -17.312 -21.800 1.00 0.00 EP
ATOM 858 LPT4 LEU J 3 8.352 -17.628 -21.554 1.00 0.00 EP
TER 859 LEU J 3
ATOM 860 N MET K 1 3.985 -18.740 -1.056 1.00 0.00 N
ATOM 861 DN MET K 1 3.985 -18.740 -1.056 1.00 0.00 EP
ATOM 862 H MET K 1 3.908 -19.670 -1.500 1.00 0.00 H
ATOM 863 H2 MET K 1 3.411 -18.049 -1.571 1.00 0.00 H
ATOM 864 H3 MET K 1 5.005 -18.429 -1.143 1.00 0.00 H
ATOM 865 CA MET K 1 3.602 -18.778 0.383 1.00 0.00 C
ATOM 866 DCA MET K 1 3.602 -18.778 0.383 1.00 0.00 EP
ATOM 867 HA MET K 1 4.289 -19.465 0.861 1.00 0.00 H
ATOM 868 C MET K 1 3.806 -17.450 1.095 1.00 0.00 C
ATOM 869 DC MET K 1 3.806 -17.450 1.095 1.00 0.00 EP
ATOM 870 O MET K 1 2.960 -16.564 1.055 1.00 0.00 O
ATOM 871 DO MET K 1 2.960 -16.564 1.055 1.00 0.00 EP
ATOM 872 LPOA MET K 1 2.782 -16.735 0.884 1.00 0.00 EP
ATOM 873 LPOB MET K 1 3.131 -16.386 1.225 1.00 0.00 EP
ATOM 874 CB MET K 1 2.157 -19.333 0.592 1.00 0.00 C
ATOM 875 DCB MET K 1 2.157 -19.333 0.592 1.00 0.00 EP
ATOM 876 HB3 MET K 1 1.825 -19.106 1.632 1.00 0.00 H
ATOM 877 HB2 MET K 1 2.207 -20.443 0.525 1.00 0.00 H
ATOM 878 CG MET K 1 1.063 -18.841 -0.391 1.00 0.00 C
ATOM 879 DCG MET K 1 1.063 -18.841 -0.391 1.00 0.00 EP
ATOM 880 HG3 MET K 1 1.117 -17.730 -0.450 1.00 0.00 H
ATOM 881 HG2 MET K 1 0.074 -19.067 0.072 1.00 0.00 H
ATOM 882 SD MET K 1 1.076 -19.556 -2.071 1.00 0.00 S
ATOM 883 DSD MET K 1 1.076 -19.556 -2.071 1.00 0.00 EP
ATOM 884 CE MET K 1 0.425 -21.195 -1.634 1.00 0.00 C
ATOM 885 DCE MET K 1 0.425 -21.195 -1.634 1.00 0.00 EP
ATOM 886 HE1 MET K 1 1.109 -21.746 -0.955 1.00 0.00 H
ATOM 887 HE2 MET K 1 0.285 -21.818 -2.545 1.00 0.00 H
ATOM 888 HE3 MET K 1 -0.563 -21.112 -1.133 1.00 0.00 H
ATOM 889 LP1A MET K 1 1.705 -19.864 -2.078 1.00 0.00 EP
ATOM 890 LP1B MET K 1 0.481 -19.201 -2.172 1.00 0.00 EP
ATOM 891 N MET K 2 4.986 -17.294 1.709 1.00 0.00 N
ATOM 892 DN MET K 2 4.986 -17.294 1.709 1.00 0.00 EP
ATOM 893 H MET K 2 5.691 -18.003 1.575 1.00 0.00 H
ATOM 894 CA MET K 2 5.503 -16.069 2.267 1.00 0.00 C
ATOM 895 DCA MET K 2 5.503 -16.069 2.267 1.00 0.00 EP
ATOM 896 HA MET K 2 5.391 -15.287 1.530 1.00 0.00 H
ATOM 897 C MET K 2 7.010 -16.235 2.496 1.00 0.00 C
ATOM 898 DC MET K 2 7.010 -16.235 2.496 1.00 0.00 EP
ATOM 899 O MET K 2 7.507 -16.131 3.613 1.00 0.00 O
ATOM 900 DO MET K 2 7.507 -16.131 3.613 1.00 0.00 EP
ATOM 901 LPOA MET K 2 7.238 -16.077 3.733 1.00 0.00 EP
ATOM 902 LPOB MET K 2 7.781 -16.185 3.502 1.00 0.00 EP
ATOM 903 CB MET K 2 4.765 -15.637 3.568 1.00 0.00 C
ATOM 904 DCB MET K 2 4.765 -15.637 3.568 1.00 0.00 EP
ATOM 905 HB3 MET K 2 5.290 -14.763 4.011 1.00 0.00 H
ATOM 906 HB2 MET K 2 3.748 -15.289 3.275 1.00 0.00 H
ATOM 907 CG MET K 2 4.586 -16.752 4.623 1.00 0.00 C
ATOM 908 DCG MET K 2 4.586 -16.752 4.623 1.00 0.00 EP
ATOM 909 HG3 MET K 2 5.577 -17.202 4.854 1.00 0.00 H
ATOM 910 HG2 MET K 2 3.963 -17.558 4.179 1.00 0.00 H
ATOM 911 SD MET K 2 3.804 -16.202 6.172 1.00 0.00 S
ATOM 912 DSD MET K 2 3.804 -16.202 6.172 1.00 0.00 EP
ATOM 913 CE MET K 2 5.253 -15.328 6.834 1.00 0.00 C
ATOM 914 DCE MET K 2 5.253 -15.328 6.834 1.00 0.00 EP
ATOM 915 HE1 MET K 2 5.056 -14.956 7.862 1.00 0.00 H
ATOM 916 HE2 MET K 2 6.138 -15.999 6.876 1.00 0.00 H
ATOM 917 HE3 MET K 2 5.521 -14.454 6.204 1.00 0.00 H
ATOM 918 LP1A MET K 2 3.985 -16.724 6.602 1.00 0.00 EP
ATOM 919 LP1B MET K 2 3.511 -15.697 5.786 1.00 0.00 EP
ATOM 920 N MET K 3 7.829 -16.525 1.464 1.00 0.00 N
ATOM 921 DN MET K 3 7.829 -16.525 1.464 1.00 0.00 EP
ATOM 922 H MET K 3 8.773 -16.733 1.700 1.00 0.00 H
ATOM 923 CA MET K 3 7.572 -16.511 0.033 1.00 0.00 C
ATOM 924 DCA MET K 3 7.572 -16.511 0.033 1.00 0.00 EP
ATOM 925 HA MET K 3 6.936 -15.662 -0.169 1.00 0.00 H
ATOM 926 C MET K 3 6.826 -17.749 -0.534 1.00 0.00 C
ATOM 927 DC MET K 3 6.826 -17.749 -0.534 1.00 0.00 EP
ATOM 928 CB MET K 3 8.885 -16.310 -0.774 1.00 0.00 C
ATOM 929 DCB MET K 3 8.885 -16.310 -0.774 1.00 0.00 EP
ATOM 930 HB3 MET K 3 9.350 -15.355 -0.447 1.00 0.00 H
ATOM 931 HB2 MET K 3 8.607 -16.191 -1.846 1.00 0.00 H
ATOM 932 CG MET K 3 9.942 -17.439 -0.678 1.00 0.00 C
ATOM 933 DCG MET K 3 9.942 -17.439 -0.678 1.00 0.00 EP
ATOM 934 HG3 MET K 3 10.686 -17.250 -1.484 1.00 0.00 H
ATOM 935 HG2 MET K 3 9.454 -18.406 -0.930 1.00 0.00 H
ATOM 936 SD MET K 3 10.849 -17.573 0.900 1.00 0.00 S
ATOM 937 DSD MET K 3 10.849 -17.573 0.900 1.00 0.00 EP
ATOM 938 CE MET K 3 10.080 -19.132 1.430 1.00 0.00 C
ATOM 939 DCE MET K 3 10.080 -19.132 1.430 1.00 0.00 EP
ATOM 940 HE1 MET K 3 10.416 -19.415 2.450 1.00 0.00 H
ATOM 941 HE2 MET K 3 8.971 -19.052 1.445 1.00 0.00 H
ATOM 942 HE3 MET K 3 10.345 -19.960 0.739 1.00 0.00 H
ATOM 943 LP1A MET K 3 10.400 -17.261 1.336 1.00 0.00 EP
ATOM 944 LP1B MET K 3 11.383 -17.814 0.516 1.00 0.00 EP
ATOM 945 O MET K 3 6.285 -17.638 -1.666 1.00 0.00 O
ATOM 946 DOT1 MET K 3 6.285 -17.638 -1.666 1.00 0.00 EP
ATOM 947 OXT MET K 3 6.655 -18.783 0.166 1.00 0.00 O
ATOM 948 DOT2 MET K 3 6.655 -18.783 0.166 1.00 0.00 EP
ATOM 949 LPT1 MET K 3 6.097 -17.925 -1.738 1.00 0.00 EP
ATOM 950 LPT2 MET K 3 6.370 -17.331 -1.810 1.00 0.00 EP
ATOM 951 LPT3 MET K 3 6.448 -19.009 -0.003 1.00 0.00 EP
ATOM 952 LPT4 MET K 3 6.830 -18.754 0.467 1.00 0.00 EP
TER 953 MET K 3
ATOM 954 N ASN L 1 -6.371 -12.381 22.511 1.00 0.00 N
ATOM 955 DN ASN L 1 -6.371 -12.381 22.511 1.00 0.00 EP
ATOM 956 H ASN L 1 -6.466 -13.419 22.598 1.00 0.00 H
ATOM 957 H2 ASN L 1 -6.428 -11.894 23.423 1.00 0.00 H
ATOM 958 H3 ASN L 1 -7.136 -11.979 21.888 1.00 0.00 H
ATOM 959 CA ASN L 1 -5.111 -12.054 21.777 1.00 0.00 C
ATOM 960 DCA ASN L 1 -5.111 -12.054 21.777 1.00 0.00 EP
ATOM 961 HA ASN L 1 -5.270 -11.077 21.340 1.00 0.00 H
ATOM 962 C ASN L 1 -3.884 -11.902 22.645 1.00 0.00 C
ATOM 963 DC ASN L 1 -3.884 -11.902 22.645 1.00 0.00 EP
ATOM 964 O ASN L 1 -3.800 -12.424 23.751 1.00 0.00 O
ATOM 965 DO ASN L 1 -3.800 -12.424 23.751 1.00 0.00 EP
ATOM 966 LPOA ASN L 1 -4.074 -12.542 23.722 1.00 0.00 EP
ATOM 967 LPOB ASN L 1 -3.525 -12.311 23.789 1.00 0.00 EP
ATOM 968 CB ASN L 1 -4.869 -13.074 20.618 1.00 0.00 C
ATOM 969 DCB ASN L 1 -4.869 -13.074 20.618 1.00 0.00 EP
ATOM 970 HB3 ASN L 1 -5.750 -13.063 19.939 1.00 0.00 H
ATOM 971 HB2 ASN L 1 -3.982 -12.786 20.019 1.00 0.00 H
ATOM 972 CG ASN L 1 -4.716 -14.499 21.153 1.00 0.00 C
ATOM 973 DCG ASN L 1 -4.716 -14.499 21.153 1.00 0.00 EP
ATOM 974 OD1 ASN L 1 -5.605 -14.962 21.871 1.00 0.00 O
ATOM 975 DOD1 ASN L 1 -5.605 -14.962 21.871 1.00 0.00 EP
ATOM 976 ND2 ASN L 1 -3.590 -15.176 20.861 1.00 0.00 N
ATOM 977 DND2 ASN L 1 -3.590 -15.176 20.861 1.00 0.00 EP
ATOM 978 HD21 ASN L 1 -2.810 -14.693 20.448 1.00 0.00 H
ATOM 979 HD22 ASN L 1 -3.503 -16.105 21.211 1.00 0.00 H
ATOM 980 LPDA ASN L 1 -5.762 -14.707 21.850 1.00 0.00 EP
ATOM 981 LPDB ASN L 1 -5.456 -15.221 21.898 1.00 0.00 EP
ATOM 982 N ASN L 2 -2.896 -11.157 22.133 1.00 0.00 N
ATOM 983 DN ASN L 2 -2.896 -11.157 22.133 1.00 0.00 EP
ATOM 984 H ASN L 2 -3.014 -10.628 21.292 1.00 0.00 H
ATOM 985 CA ASN L 2 -1.579 -11.032 22.699 1.00 0.00 C
ATOM 986 DCA ASN L 2 -1.579 -11.032 22.699 1.00 0.00 EP
ATOM 987 HA ASN L 2 -1.653 -10.924 23.774 1.00 0.00 H
ATOM 988 C ASN L 2 -1.058 -9.734 22.128 1.00 0.00 C
ATOM 989 DC ASN L 2 -1.058 -9.734 22.128 1.00 0.00 EP
ATOM 990 O ASN L 2 -1.653 -9.209 21.186 1.00 0.00 O
ATOM 991 DO ASN L 2 -1.653 -9.209 21.186 1.00 0.00 EP
ATOM 992 LPOA ASN L 2 -1.855 -9.431 21.183 1.00 0.00 EP
ATOM 993 LPOB ASN L 2 -1.456 -8.983 21.180 1.00 0.00 EP
ATOM 994 CB ASN L 2 -0.663 -12.232 22.304 1.00 0.00 C
ATOM 995 DCB ASN L 2 -0.663 -12.232 22.304 1.00 0.00 EP
ATOM 996 HB3 ASN L 2 -1.040 -13.139 22.825 1.00 0.00 H
ATOM 997 HB2 ASN L 2 0.385 -12.069 22.625 1.00 0.00 H
ATOM 998 CG ASN L 2 -0.703 -12.543 20.804 1.00 0.00 C
ATOM 999 DCG ASN L 2 -0.703 -12.543 20.804 1.00 0.00 EP
ATOM 1000 OD1 ASN L 2 -1.422 -13.445 20.371 1.00 0.00 O
ATOM 1001 DOD1 ASN L 2 -1.422 -13.445 20.371 1.00 0.00 EP
ATOM 1002 ND2 ASN L 2 0.081 -11.819 19.976 1.00 0.00 N
ATOM 1003 DND2 ASN L 2 0.081 -11.819 19.976 1.00 0.00 EP
ATOM 1004 HD21 ASN L 2 0.073 -12.074 19.014 1.00 0.00 H
ATOM 1005 HD22 ASN L 2 0.592 -11.014 20.296 1.00 0.00 H
ATOM 1006 LPDA ASN L 2 -1.519 -13.508 20.648 1.00 0.00 EP
ATOM 1007 LPDB ASN L 2 -1.331 -13.390 20.090 1.00 0.00 EP
ATOM 1008 N ASN L 3 0.057 -9.203 22.659 1.00 0.00 N
ATOM 1009 DN ASN L 3 0.057 -9.203 22.659 1.00 0.00 EP
ATOM 1010 H ASN L 3 0.525 -9.636 23.423 1.00 0.00 H
ATOM 1011 CA ASN L 3 0.697 -8.016 22.123 1.00 0.00 C
ATOM 1012 DCA ASN L 3 0.697 -8.016 22.123 1.00 0.00 EP
ATOM 1013 HA ASN L 3 -0.014 -7.206 22.224 1.00 0.00 H
ATOM 1014 C ASN L 3 1.020 -8.106 20.604 1.00 0.00 C
ATOM 1015 DC ASN L 3 1.020 -8.106 20.604 1.00 0.00 EP
ATOM 1016 CB ASN L 3 1.965 -7.632 22.935 1.00 0.00 C
ATOM 1017 DCB ASN L 3 1.965 -7.632 22.935 1.00 0.00 EP
ATOM 1018 HB3 ASN L 3 1.648 -7.286 23.943 1.00 0.00 H
ATOM 1019 HB2 ASN L 3 2.509 -6.800 22.444 1.00 0.00 H
ATOM 1020 CG ASN L 3 2.934 -8.793 23.161 1.00 0.00 C
ATOM 1021 DCG ASN L 3 2.934 -8.793 23.161 1.00 0.00 EP
ATOM 1022 OD1 ASN L 3 3.350 -9.039 24.293 1.00 0.00 O
ATOM 1023 DOD1 ASN L 3 3.350 -9.039 24.293 1.00 0.00 EP
ATOM 1024 ND2 ASN L 3 3.268 -9.559 22.102 1.00 0.00 N
ATOM 1025 DND2 ASN L 3 3.268 -9.559 22.102 1.00 0.00 EP
ATOM 1026 HD21 ASN L 3 2.770 -9.421 21.236 1.00 0.00 H
ATOM 1027 HD22 ASN L 3 3.920 -10.295 22.247 1.00 0.00 H
ATOM 1028 LPDA ASN L 3 3.191 -8.812 24.406 1.00 0.00 EP
ATOM 1029 LPDB ASN L 3 3.513 -9.269 24.189 1.00 0.00 EP
ATOM 1030 O ASN L 3 1.328 -9.220 20.102 1.00 0.00 O
ATOM 1031 DOT1 ASN L 3 1.328 -9.220 20.102 1.00 0.00 EP
ATOM 1032 OXT ASN L 3 0.908 -7.063 19.912 1.00 0.00 O
ATOM 1033 DOT2 ASN L 3 0.908 -7.063 19.912 1.00 0.00 EP
ATOM 1034 LPT1 ASN L 3 1.374 -9.187 19.756 1.00 0.00 EP
ATOM 1035 LPT2 ASN L 3 1.341 -9.465 20.352 1.00 0.00 EP
ATOM 1036 LPT3 ASN L 3 0.974 -7.135 19.576 1.00 0.00 EP
ATOM 1037 LPT4 ASN L 3 0.821 -6.793 20.116 1.00 0.00 EP
TER 1038 ASN L 3
ATOM 1039 N PRO M 1 2.225 0.673 -19.709 1.00 0.00 N
ATOM 1040 DN PRO M 1 2.225 0.673 -19.709 1.00 0.00 EP
ATOM 1041 H2 PRO M 1 2.588 -0.024 -19.077 1.00 0.00 H
ATOM 1042 H3 PRO M 1 3.047 1.002 -20.224 1.00 0.00 H
ATOM 1043 CD PRO M 1 1.147 0.113 -20.589 1.00 0.00 C
ATOM 1044 DCD PRO M 1 1.147 0.113 -20.589 1.00 0.00 EP
ATOM 1045 HD3 PRO M 1 1.348 0.372 -21.651 1.00 0.00 H
ATOM 1046 HD2 PRO M 1 1.115 -0.992 -20.475 1.00 0.00 H
ATOM 1047 CA PRO M 1 1.672 1.781 -18.886 1.00 0.00 C
ATOM 1048 DCA PRO M 1 1.672 1.781 -18.886 1.00 0.00 EP
ATOM 1049 HA PRO M 1 1.823 2.667 -19.482 1.00 0.00 H
ATOM 1050 C PRO M 1 2.553 1.789 -17.662 1.00 0.00 C
ATOM 1051 DC PRO M 1 2.553 1.789 -17.662 1.00 0.00 EP
ATOM 1052 O PRO M 1 2.760 0.688 -17.152 1.00 0.00 O
ATOM 1053 DO PRO M 1 2.760 0.688 -17.152 1.00 0.00 EP
ATOM 1054 LPOA PRO M 1 2.591 0.554 -17.361 1.00 0.00 EP
ATOM 1055 LPOB PRO M 1 2.931 0.813 -16.940 1.00 0.00 EP
ATOM 1056 CB PRO M 1 0.213 1.350 -18.700 1.00 0.00 C
ATOM 1057 DCB PRO M 1 0.213 1.350 -18.700 1.00 0.00 EP
ATOM 1058 HB3 PRO M 1 -0.438 2.204 -18.418 1.00 0.00 H
ATOM 1059 HB2 PRO M 1 0.126 0.558 -17.921 1.00 0.00 H
ATOM 1060 CG PRO M 1 -0.150 0.771 -20.079 1.00 0.00 C
ATOM 1061 DCG PRO M 1 -0.150 0.771 -20.079 1.00 0.00 EP
ATOM 1062 HG3 PRO M 1 -0.992 0.051 -20.023 1.00 0.00 H
ATOM 1063 HG2 PRO M 1 -0.432 1.600 -20.767 1.00 0.00 H
ATOM 1064 N PRO M 2 3.095 2.892 -17.163 1.00 0.00 N
ATOM 1065 DN PRO M 2 3.095 2.892 -17.163 1.00 0.00 EP
ATOM 1066 CA PRO M 2 4.276 2.855 -16.315 1.00 0.00 C
ATOM 1067 DCA PRO M 2 4.276 2.855 -16.315 1.00 0.00 EP
ATOM 1068 HA PRO M 2 4.160 2.089 -15.561 1.00 0.00 H
ATOM 1069 CD PRO M 2 2.714 4.257 -17.538 1.00 0.00 C
ATOM 1070 DCD PRO M 2 2.714 4.257 -17.538 1.00 0.00 EP
ATOM 1071 HD3 PRO M 2 1.655 4.442 -17.253 1.00 0.00 H
ATOM 1072 HD2 PRO M 2 2.860 4.419 -18.631 1.00 0.00 H
ATOM 1073 CB PRO M 2 4.291 4.262 -15.691 1.00 0.00 C
ATOM 1074 DCB PRO M 2 4.291 4.262 -15.691 1.00 0.00 EP
ATOM 1075 HB3 PRO M 2 3.635 4.250 -14.792 1.00 0.00 H
ATOM 1076 HB2 PRO M 2 5.304 4.592 -15.383 1.00 0.00 H
ATOM 1077 CG PRO M 2 3.658 5.178 -16.751 1.00 0.00 C
ATOM 1078 DCG PRO M 2 3.658 5.178 -16.751 1.00 0.00 EP
ATOM 1079 HG3 PRO M 2 3.128 6.040 -16.298 1.00 0.00 H
ATOM 1080 HG2 PRO M 2 4.443 5.559 -17.439 1.00 0.00 H
ATOM 1081 C PRO M 2 5.558 2.497 -17.079 1.00 0.00 C
ATOM 1082 DC PRO M 2 5.558 2.497 -17.079 1.00 0.00 EP
ATOM 1083 O PRO M 2 6.256 1.610 -16.587 1.00 0.00 O
ATOM 1084 DO PRO M 2 6.256 1.610 -16.587 1.00 0.00 EP
ATOM 1085 LPOA PRO M 2 6.064 1.577 -16.360 1.00 0.00 EP
ATOM 1086 LPOB PRO M 2 6.455 1.635 -16.811 1.00 0.00 EP
ATOM 1087 N PRO M 3 5.944 3.131 -18.184 1.00 0.00 N
ATOM 1088 DN PRO M 3 5.944 3.131 -18.184 1.00 0.00 EP
ATOM 1089 CA PRO M 3 6.200 2.337 -19.390 1.00 0.00 C
ATOM 1090 DCA PRO M 3 6.200 2.337 -19.390 1.00 0.00 EP
ATOM 1091 HA PRO M 3 6.740 1.436 -19.130 1.00 0.00 H
ATOM 1092 CD PRO M 3 7.038 4.110 -18.031 1.00 0.00 C
ATOM 1093 DCD PRO M 3 7.038 4.110 -18.031 1.00 0.00 EP
ATOM 1094 HD3 PRO M 3 7.587 4.007 -17.065 1.00 0.00 H
ATOM 1095 HD2 PRO M 3 6.593 5.126 -18.096 1.00 0.00 H
ATOM 1096 CB PRO M 3 7.063 3.263 -20.250 1.00 0.00 C
ATOM 1097 DCB PRO M 3 7.063 3.263 -20.250 1.00 0.00 EP
ATOM 1098 HB3 PRO M 3 6.428 4.047 -20.719 1.00 0.00 H
ATOM 1099 HB2 PRO M 3 7.605 2.703 -21.039 1.00 0.00 H
ATOM 1100 CG PRO M 3 7.987 3.889 -19.213 1.00 0.00 C
ATOM 1101 DCG PRO M 3 7.987 3.889 -19.213 1.00 0.00 EP
ATOM 1102 HG3 PRO M 3 8.773 3.155 -18.924 1.00 0.00 H
ATOM 1103 HG2 PRO M 3 8.462 4.826 -19.566 1.00 0.00 H
ATOM 1104 C PRO M 3 4.937 1.932 -20.119 1.00 0.00 C
ATOM 1105 DC PRO M 3 4.937 1.932 -20.119 1.00 0.00 EP
ATOM 1106 O PRO M 3 4.781 0.725 -20.452 1.00 0.00 O
ATOM 1107 DOT1 PRO M 3 4.781 0.725 -20.452 1.00 0.00 EP
ATOM 1108 OXT PRO M 3 4.044 2.792 -20.354 1.00 0.00 O
ATOM 1109 DOT2 PRO M 3 4.044 2.792 -20.354 1.00 0.00 EP
ATOM 1110 LPT1 PRO M 3 4.470 0.683 -20.608 1.00 0.00 EP
ATOM 1111 LPT2 PRO M 3 5.062 0.538 -20.360 1.00 0.00 EP
ATOM 1112 LPT3 PRO M 3 3.772 2.641 -20.515 1.00 0.00 EP
ATOM 1113 LPT4 PRO M 3 4.147 3.106 -20.238 1.00 0.00 EP
TER 1114 PRO M 3
ATOM 1115 N GLN N 1 4.248 1.190 0.404 1.00 0.00 N
ATOM 1116 DN GLN N 1 4.248 1.190 0.404 1.00 0.00 EP
ATOM 1117 H GLN N 1 5.046 1.180 1.103 1.00 0.00 H
ATOM 1118 H2 GLN N 1 4.121 2.180 0.078 1.00 0.00 H
ATOM 1119 H3 GLN N 1 4.498 0.560 -0.393 1.00 0.00 H
ATOM 1120 CA GLN N 1 3.015 0.676 1.096 1.00 0.00 C
ATOM 1121 DCA GLN N 1 3.015 0.676 1.096 1.00 0.00 EP
ATOM 1122 HA GLN N 1 2.243 0.574 0.346 1.00 0.00 H
ATOM 1123 C GLN N 1 2.471 1.670 2.108 1.00 0.00 C
ATOM 1124 DC GLN N 1 2.471 1.670 2.108 1.00 0.00 EP
ATOM 1125 O GLN N 1 1.266 1.834 2.267 1.00 0.00 O
ATOM 1126 DO GLN N 1 1.266 1.834 2.267 1.00 0.00 EP
ATOM 1127 LPOA GLN N 1 1.205 1.629 2.057 1.00 0.00 EP
ATOM 1128 LPOB GLN N 1 1.317 2.040 2.478 1.00 0.00 EP
ATOM 1129 CB GLN N 1 3.273 -0.717 1.762 1.00 0.00 C
ATOM 1130 DCB GLN N 1 3.273 -0.717 1.762 1.00 0.00 EP
ATOM 1131 HB3 GLN N 1 2.427 -0.926 2.460 1.00 0.00 H
ATOM 1132 HB2 GLN N 1 4.192 -0.688 2.387 1.00 0.00 H
ATOM 1133 CG GLN N 1 3.327 -1.939 0.801 1.00 0.00 C
ATOM 1134 DCG GLN N 1 3.327 -1.939 0.801 1.00 0.00 EP
ATOM 1135 HG3 GLN N 1 2.387 -1.989 0.211 1.00 0.00 H
ATOM 1136 HG2 GLN N 1 3.402 -2.874 1.396 1.00 0.00 H
ATOM 1137 CD GLN N 1 4.488 -1.862 -0.196 1.00 0.00 C
ATOM 1138 DCD GLN N 1 4.488 -1.862 -0.196 1.00 0.00 EP
ATOM 1139 OE1 GLN N 1 4.468 -1.039 -1.114 1.00 0.00 O
ATOM 1140 DOE1 GLN N 1 4.468 -1.039 -1.114 1.00 0.00 EP
ATOM 1141 NE2 GLN N 1 5.537 -2.689 -0.005 1.00 0.00 N
ATOM 1142 DNE2 GLN N 1 5.537 -2.689 -0.005 1.00 0.00 EP
ATOM 1143 HE21 GLN N 1 5.572 -3.274 0.799 1.00 0.00 H
ATOM 1144 HE22 GLN N 1 6.296 -2.623 -0.647 1.00 0.00 H
ATOM 1145 LPEA GLN N 1 4.202 -0.936 -1.023 1.00 0.00 EP
ATOM 1146 LPEB GLN N 1 4.734 -1.136 -1.214 1.00 0.00 EP
ATOM 1147 N GLN N 2 3.392 2.405 2.746 1.00 0.00 N
ATOM 1148 DN GLN N 2 3.392 2.405 2.746 1.00 0.00 EP
ATOM 1149 H GLN N 2 4.354 2.093 2.710 1.00 0.00 H
ATOM 1150 CA GLN N 2 3.190 3.569 3.575 1.00 0.00 C
ATOM 1151 DCA GLN N 2 3.190 3.569 3.575 1.00 0.00 EP
ATOM 1152 HA GLN N 2 2.374 3.395 4.264 1.00 0.00 H
ATOM 1153 C GLN N 2 4.493 3.598 4.346 1.00 0.00 C
ATOM 1154 DC GLN N 2 4.493 3.598 4.346 1.00 0.00 EP
ATOM 1155 O GLN N 2 4.540 3.570 5.572 1.00 0.00 O
ATOM 1156 DO GLN N 2 4.540 3.570 5.572 1.00 0.00 EP
ATOM 1157 LPOA GLN N 2 4.241 3.558 5.588 1.00 0.00 EP
ATOM 1158 LPOB GLN N 2 4.840 3.581 5.566 1.00 0.00 EP
ATOM 1159 CB GLN N 2 3.033 4.901 2.765 1.00 0.00 C
ATOM 1160 DCB GLN N 2 3.033 4.901 2.765 1.00 0.00 EP
ATOM 1161 HB3 GLN N 2 3.965 5.142 2.207 1.00 0.00 H
ATOM 1162 HB2 GLN N 2 2.886 5.710 3.518 1.00 0.00 H
ATOM 1163 CG GLN N 2 1.846 4.983 1.761 1.00 0.00 C
ATOM 1164 DCG GLN N 2 1.846 4.983 1.761 1.00 0.00 EP
ATOM 1165 HG3 GLN N 2 1.613 6.058 1.598 1.00 0.00 H
ATOM 1166 HG2 GLN N 2 0.954 4.499 2.211 1.00 0.00 H
ATOM 1167 CD GLN N 2 2.102 4.365 0.376 1.00 0.00 C
ATOM 1168 DCD GLN N 2 2.102 4.365 0.376 1.00 0.00 EP
ATOM 1169 OE1 GLN N 2 3.130 3.763 0.059 1.00 0.00 O
ATOM 1170 DOE1 GLN N 2 3.130 3.763 0.059 1.00 0.00 EP
ATOM 1171 NE2 GLN N 2 1.093 4.511 -0.516 1.00 0.00 N
ATOM 1172 DNE2 GLN N 2 1.093 4.511 -0.516 1.00 0.00 EP
ATOM 1173 HE21 GLN N 2 1.237 4.152 -1.433 1.00 0.00 H
ATOM 1174 HE22 GLN N 2 0.250 4.965 -0.243 1.00 0.00 H
ATOM 1175 LPEA GLN N 2 3.246 3.806 0.332 1.00 0.00 EP
ATOM 1176 LPEB GLN N 2 3.023 3.715 -0.217 1.00 0.00 EP
ATOM 1177 N GLN N 3 5.583 3.543 3.558 1.00 0.00 N
ATOM 1178 DN GLN N 3 5.583 3.543 3.558 1.00 0.00 EP
ATOM 1179 H GLN N 3 5.493 3.708 2.582 1.00 0.00 H
ATOM 1180 CA GLN N 3 6.814 2.867 3.882 1.00 0.00 C
ATOM 1181 DCA GLN N 3 6.814 2.867 3.882 1.00 0.00 EP
ATOM 1182 HA GLN N 3 6.894 2.734 4.953 1.00 0.00 H
ATOM 1183 C GLN N 3 6.797 1.447 3.248 1.00 0.00 C
ATOM 1184 DC GLN N 3 6.797 1.447 3.248 1.00 0.00 EP
ATOM 1185 CB GLN N 3 8.023 3.691 3.355 1.00 0.00 C
ATOM 1186 DCB GLN N 3 8.023 3.691 3.355 1.00 0.00 EP
ATOM 1187 HB3 GLN N 3 8.125 4.588 4.004 1.00 0.00 H
ATOM 1188 HB2 GLN N 3 8.940 3.077 3.501 1.00 0.00 H
ATOM 1189 CG GLN N 3 7.961 4.176 1.875 1.00 0.00 C
ATOM 1190 DCG GLN N 3 7.961 4.176 1.875 1.00 0.00 EP
ATOM 1191 HG3 GLN N 3 7.229 5.009 1.805 1.00 0.00 H
ATOM 1192 HG2 GLN N 3 8.950 4.577 1.572 1.00 0.00 H
ATOM 1193 CD GLN N 3 7.519 3.131 0.843 1.00 0.00 C
ATOM 1194 DCD GLN N 3 7.519 3.131 0.843 1.00 0.00 EP
ATOM 1195 OE1 GLN N 3 6.438 3.219 0.254 1.00 0.00 O
ATOM 1196 DOE1 GLN N 3 6.438 3.219 0.254 1.00 0.00 EP
ATOM 1197 NE2 GLN N 3 8.365 2.102 0.622 1.00 0.00 N
ATOM 1198 DNE2 GLN N 3 8.365 2.102 0.622 1.00 0.00 EP
ATOM 1199 HE21 GLN N 3 8.058 1.401 -0.009 1.00 0.00 H
ATOM 1200 HE22 GLN N 3 8.993 1.864 1.360 1.00 0.00 H
ATOM 1201 LPEA GLN N 3 6.373 3.472 0.400 1.00 0.00 EP
ATOM 1202 LPEB GLN N 3 6.494 2.966 0.102 1.00 0.00 EP
ATOM 1203 O GLN N 3 7.789 0.699 3.427 1.00 0.00 O
ATOM 1204 DOT1 GLN N 3 7.789 0.699 3.427 1.00 0.00 EP
ATOM 1205 OXT GLN N 3 5.816 1.118 2.520 1.00 0.00 O
ATOM 1206 DOT2 GLN N 3 5.816 1.118 2.520 1.00 0.00 EP
ATOM 1207 LPT1 GLN N 3 7.748 0.400 3.249 1.00 0.00 EP
ATOM 1208 LPT2 GLN N 3 8.020 0.855 3.639 1.00 0.00 EP
ATOM 1209 LPT3 GLN N 3 5.869 0.799 2.385 1.00 0.00 EP
ATOM 1210 LPT4 GLN N 3 5.578 1.374 2.516 1.00 0.00 EP
TER 1211 GLN N 3
ATOM 1212 N ARG O 1 -1.021 -5.331 19.434 1.00 0.00 N
ATOM 1213 DN ARG O 1 -1.021 -5.331 19.434 1.00 0.00 EP
ATOM 1214 H ARG O 1 -1.219 -4.717 20.252 1.00 0.00 H
ATOM 1215 H2 ARG O 1 -1.949 -5.658 19.064 1.00 0.00 H
ATOM 1216 H3 ARG O 1 -0.468 -6.165 19.773 1.00 0.00 H
ATOM 1217 CA ARG O 1 -0.152 -4.598 18.467 1.00 0.00 C
ATOM 1218 DCA ARG O 1 -0.152 -4.598 18.467 1.00 0.00 EP
ATOM 1219 HA ARG O 1 0.708 -5.222 18.273 1.00 0.00 H
ATOM 1220 C ARG O 1 0.385 -3.372 19.174 1.00 0.00 C
ATOM 1221 DC ARG O 1 0.385 -3.372 19.174 1.00 0.00 EP
ATOM 1222 O ARG O 1 0.045 -3.138 20.332 1.00 0.00 O
ATOM 1223 DO ARG O 1 0.045 -3.138 20.332 1.00 0.00 EP
ATOM 1224 LPOA ARG O 1 -0.126 -3.384 20.337 1.00 0.00 EP
ATOM 1225 LPOB ARG O 1 0.214 -2.890 20.337 1.00 0.00 EP
ATOM 1226 CB ARG O 1 -0.884 -4.283 17.120 1.00 0.00 C
ATOM 1227 DCB ARG O 1 -0.884 -4.283 17.120 1.00 0.00 EP
ATOM 1228 HB3 ARG O 1 -1.978 -4.391 17.252 1.00 0.00 H
ATOM 1229 HB2 ARG O 1 -0.763 -3.212 16.842 1.00 0.00 H
ATOM 1230 CG ARG O 1 -0.447 -5.105 15.871 1.00 0.00 C
ATOM 1231 DCG ARG O 1 -0.447 -5.105 15.871 1.00 0.00 EP
ATOM 1232 HG3 ARG O 1 0.482 -4.651 15.457 1.00 0.00 H
ATOM 1233 HG2 ARG O 1 -1.236 -4.979 15.093 1.00 0.00 H
ATOM 1234 CD ARG O 1 -0.172 -6.617 16.021 1.00 0.00 C
ATOM 1235 DCD ARG O 1 -0.172 -6.617 16.021 1.00 0.00 EP
ATOM 1236 HD3 ARG O 1 0.789 -6.759 16.568 1.00 0.00 H
ATOM 1237 HD2 ARG O 1 -0.089 -7.096 15.017 1.00 0.00 H
ATOM 1238 NE ARG O 1 -1.303 -7.258 16.760 1.00 0.00 N
ATOM 1239 DNE ARG O 1 -1.303 -7.258 16.760 1.00 0.00 EP
ATOM 1240 HE ARG O 1 -2.201 -6.780 16.848 1.00 0.00 H
ATOM 1241 CZ ARG O 1 -1.152 -8.223 17.661 1.00 0.00 C
ATOM 1242 DCZ ARG O 1 -1.152 -8.223 17.661 1.00 0.00 EP
ATOM 1243 NH1 ARG O 1 -0.056 -8.940 17.738 1.00 0.00 N
ATOM 1244 DNH1 ARG O 1 -0.056 -8.940 17.738 1.00 0.00 EP
ATOM 1245 HH11 ARG O 1 0.288 -9.113 18.679 1.00 0.00 H
ATOM 1246 HH12 ARG O 1 0.638 -8.757 17.068 1.00 0.00 H
ATOM 1247 NH2 ARG O 1 -2.079 -8.366 18.581 1.00 0.00 N
ATOM 1248 DNH2 ARG O 1 -2.079 -8.366 18.581 1.00 0.00 EP
ATOM 1249 HH21 ARG O 1 -2.831 -7.683 18.617 1.00 0.00 H
ATOM 1250 HH22 ARG O 1 -1.847 -8.823 19.443 1.00 0.00 H
ATOM 1251 N ARG O 2 1.243 -2.559 18.528 1.00 0.00 N
ATOM 1252 DN ARG O 2 1.243 -2.559 18.528 1.00 0.00 EP
ATOM 1253 H ARG O 2 1.533 -2.736 17.594 1.00 0.00 H
ATOM 1254 CA ARG O 2 1.857 -1.432 19.204 1.00 0.00 C
ATOM 1255 DCA ARG O 2 1.857 -1.432 19.204 1.00 0.00 EP
ATOM 1256 HA ARG O 2 1.679 -1.505 20.268 1.00 0.00 H
ATOM 1257 C ARG O 2 3.369 -1.514 19.089 1.00 0.00 C
ATOM 1258 DC ARG O 2 3.369 -1.514 19.089 1.00 0.00 EP
ATOM 1259 O ARG O 2 3.997 -2.299 19.794 1.00 0.00 O
ATOM 1260 DO ARG O 2 3.997 -2.299 19.794 1.00 0.00 EP
ATOM 1261 LPOA ARG O 2 3.744 -2.395 19.922 1.00 0.00 EP
ATOM 1262 LPOB ARG O 2 4.256 -2.210 19.671 1.00 0.00 EP
ATOM 1263 CB ARG O 2 1.217 -0.103 18.719 1.00 0.00 C
ATOM 1264 DCB ARG O 2 1.217 -0.103 18.719 1.00 0.00 EP
ATOM 1265 HB3 ARG O 2 0.121 -0.212 18.909 1.00 0.00 H
ATOM 1266 HB2 ARG O 2 1.332 -0.010 17.617 1.00 0.00 H
ATOM 1267 CG ARG O 2 1.667 1.218 19.395 1.00 0.00 C
ATOM 1268 DCG ARG O 2 1.667 1.218 19.395 1.00 0.00 EP
ATOM 1269 HG3 ARG O 2 2.627 1.572 18.959 1.00 0.00 H
ATOM 1270 HG2 ARG O 2 0.908 1.984 19.111 1.00 0.00 H
ATOM 1271 CD ARG O 2 1.744 1.212 20.935 1.00 0.00 C
ATOM 1272 DCD ARG O 2 1.744 1.212 20.935 1.00 0.00 EP
ATOM 1273 HD3 ARG O 2 1.581 2.244 21.323 1.00 0.00 H
ATOM 1274 HD2 ARG O 2 0.970 0.537 21.362 1.00 0.00 H
ATOM 1275 NE ARG O 2 3.134 0.805 21.317 1.00 0.00 N
ATOM 1276 DNE ARG O 2 3.134 0.805 21.317 1.00 0.00 EP
ATOM 1277 HE ARG O 2 3.903 1.140 20.730 1.00 0.00 H
ATOM 1278 CZ ARG O 2 3.492 -0.098 22.218 1.00 0.00 C
ATOM 1279 DCZ ARG O 2 3.492 -0.098 22.218 1.00 0.00 EP
ATOM 1280 NH1 ARG O 2 4.761 -0.442 22.295 1.00 0.00 N
ATOM 1281 DNH1 ARG O 2 4.761 -0.442 22.295 1.00 0.00 EP
ATOM 1282 HH11 ARG O 2 5.001 -1.297 22.723 1.00 0.00 H
ATOM 1283 HH12 ARG O 2 5.379 -0.108 21.558 1.00 0.00 H
ATOM 1284 NH2 ARG O 2 2.635 -0.696 23.015 1.00 0.00 N
ATOM 1285 DNH2 ARG O 2 2.635 -0.696 23.015 1.00 0.00 EP
ATOM 1286 HH21 ARG O 2 2.976 -1.342 23.682 1.00 0.00 H
ATOM 1287 HH22 ARG O 2 1.684 -0.431 22.960 1.00 0.00 H
ATOM 1288 N ARG O 3 3.996 -0.703 18.219 1.00 0.00 N
ATOM 1289 DN ARG O 3 3.996 -0.703 18.219 1.00 0.00 EP
ATOM 1290 H ARG O 3 3.488 -0.067 17.653 1.00 0.00 H
ATOM 1291 CA ARG O 3 5.427 -0.482 18.273 1.00 0.00 C
ATOM 1292 DCA ARG O 3 5.427 -0.482 18.273 1.00 0.00 EP
ATOM 1293 HA ARG O 3 5.930 -1.424 18.453 1.00 0.00 H
ATOM 1294 C ARG O 3 5.758 0.457 19.454 1.00 0.00 C
ATOM 1295 DC ARG O 3 5.758 0.457 19.454 1.00 0.00 EP
ATOM 1296 CB ARG O 3 5.957 0.125 16.947 1.00 0.00 C
ATOM 1297 DCB ARG O 3 5.957 0.125 16.947 1.00 0.00 EP
ATOM 1298 HB3 ARG O 3 5.776 -0.634 16.152 1.00 0.00 H
ATOM 1299 HB2 ARG O 3 5.369 1.032 16.688 1.00 0.00 H
ATOM 1300 CG ARG O 3 7.465 0.470 16.969 1.00 0.00 C
ATOM 1301 DCG ARG O 3 7.465 0.470 16.969 1.00 0.00 EP
ATOM 1302 HG3 ARG O 3 7.974 -0.277 17.619 1.00 0.00 H
ATOM 1303 HG2 ARG O 3 7.877 0.350 15.941 1.00 0.00 H
ATOM 1304 CD ARG O 3 7.772 1.904 17.436 1.00 0.00 C
ATOM 1305 DCD ARG O 3 7.772 1.904 17.436 1.00 0.00 EP
ATOM 1306 HD3 ARG O 3 7.197 2.214 18.334 1.00 0.00 H
ATOM 1307 HD2 ARG O 3 7.513 2.624 16.626 1.00 0.00 H
ATOM 1308 NE ARG O 3 9.242 1.996 17.715 1.00 0.00 N
ATOM 1309 DNE ARG O 3 9.242 1.996 17.715 1.00 0.00 EP
ATOM 1310 HE ARG O 3 9.848 2.309 16.996 1.00 0.00 H
ATOM 1311 CZ ARG O 3 9.787 1.720 18.895 1.00 0.00 C
ATOM 1312 DCZ ARG O 3 9.787 1.720 18.895 1.00 0.00 EP
ATOM 1313 NH1 ARG O 3 9.116 1.269 19.931 1.00 0.00 N
ATOM 1314 DNH1 ARG O 3 9.116 1.269 19.931 1.00 0.00 EP
ATOM 1315 HH11 ARG O 3 9.567 1.035 20.775 1.00 0.00 H
ATOM 1316 HH12 ARG O 3 8.136 1.005 19.847 1.00 0.00 H
ATOM 1317 NH2 ARG O 3 11.087 1.900 19.046 1.00 0.00 N
ATOM 1318 DNH2 ARG O 3 11.087 1.900 19.046 1.00 0.00 EP
ATOM 1319 HH21 ARG O 3 11.493 1.707 19.928 1.00 0.00 H
ATOM 1320 HH22 ARG O 3 11.621 2.250 18.290 1.00 0.00 H
ATOM 1321 O ARG O 3 6.639 0.114 20.284 1.00 0.00 O
ATOM 1322 DOT1 ARG O 3 6.639 0.114 20.284 1.00 0.00 EP
ATOM 1323 OXT ARG O 3 5.127 1.537 19.572 1.00 0.00 O
ATOM 1324 DOT2 ARG O 3 5.127 1.537 19.572 1.00 0.00 EP
ATOM 1325 LPT1 ARG O 3 6.671 0.358 20.532 1.00 0.00 EP
ATOM 1326 LPT2 ARG O 3 6.775 -0.196 20.193 1.00 0.00 EP
ATOM 1327 LPT3 ARG O 3 5.236 1.708 19.857 1.00 0.00 EP
ATOM 1328 LPT4 ARG O 3 4.898 1.571 19.309 1.00 0.00 EP
TER 1329 ARG O 3
ATOM 1330 N SER P 1 1.924 19.223 -18.966 1.00 0.00 N
ATOM 1331 DN SER P 1 1.924 19.223 -18.966 1.00 0.00 EP
ATOM 1332 H SER P 1 2.836 18.984 -19.431 1.00 0.00 H
ATOM 1333 H2 SER P 1 1.225 18.474 -19.109 1.00 0.00 H
ATOM 1334 H3 SER P 1 1.585 20.134 -19.369 1.00 0.00 H
ATOM 1335 CA SER P 1 2.309 19.397 -17.515 1.00 0.00 C
ATOM 1336 DCA SER P 1 2.309 19.397 -17.515 1.00 0.00 EP
ATOM 1337 HA SER P 1 1.914 18.542 -16.984 1.00 0.00 H
ATOM 1338 C SER P 1 1.664 20.599 -16.860 1.00 0.00 C
ATOM 1339 DC SER P 1 1.664 20.599 -16.860 1.00 0.00 EP
ATOM 1340 O SER P 1 0.897 20.434 -15.924 1.00 0.00 O
ATOM 1341 DO SER P 1 0.897 20.434 -15.924 1.00 0.00 EP
ATOM 1342 LPOA SER P 1 0.934 20.136 -15.939 1.00 0.00 EP
ATOM 1343 LPOB SER P 1 0.853 20.730 -15.901 1.00 0.00 EP
ATOM 1344 CB SER P 1 3.867 19.379 -17.309 1.00 0.00 C
ATOM 1345 DCB SER P 1 3.867 19.379 -17.309 1.00 0.00 EP
ATOM 1346 HB3 SER P 1 4.213 20.236 -16.687 1.00 0.00 H
ATOM 1347 HB2 SER P 1 4.148 18.459 -16.748 1.00 0.00 H
ATOM 1348 OG SER P 1 4.583 19.376 -18.550 1.00 0.00 O
ATOM 1349 DOG SER P 1 4.583 19.376 -18.550 1.00 0.00 EP
ATOM 1350 HG SER P 1 5.460 19.817 -18.360 1.00 0.00 H
ATOM 1351 LPGA SER P 1 4.771 19.082 -18.585 1.00 0.00 EP
ATOM 1352 LPGB SER P 1 4.511 19.663 -18.736 1.00 0.00 EP
ATOM 1353 N SER P 2 1.891 21.846 -17.314 1.00 0.00 N
ATOM 1354 DN SER P 2 1.891 21.846 -17.314 1.00 0.00 EP
ATOM 1355 H SER P 2 1.490 22.589 -16.779 1.00 0.00 H
ATOM 1356 CA SER P 2 2.701 22.263 -18.453 1.00 0.00 C
ATOM 1357 DCA SER P 2 2.701 22.263 -18.453 1.00 0.00 EP
ATOM 1358 HA SER P 2 3.284 21.437 -18.816 1.00 0.00 H
ATOM 1359 C SER P 2 3.725 23.268 -18.010 1.00 0.00 C
ATOM 1360 DC SER P 2 3.725 23.268 -18.010 1.00 0.00 EP
ATOM 1361 O SER P 2 3.432 24.171 -17.233 1.00 0.00 O
ATOM 1362 DO SER P 2 3.432 24.171 -17.233 1.00 0.00 EP
ATOM 1363 LPOA SER P 2 3.149 24.073 -17.219 1.00 0.00 EP
ATOM 1364 LPOB SER P 2 3.713 24.276 -17.241 1.00 0.00 EP
ATOM 1365 CB SER P 2 1.873 22.771 -19.650 1.00 0.00 C
ATOM 1366 DCB SER P 2 1.873 22.771 -19.650 1.00 0.00 EP
ATOM 1367 HB3 SER P 2 2.541 23.193 -20.437 1.00 0.00 H
ATOM 1368 HB2 SER P 2 1.179 23.575 -19.307 1.00 0.00 H
ATOM 1369 OG SER P 2 1.133 21.675 -20.202 1.00 0.00 O
ATOM 1370 DOG SER P 2 1.133 21.675 -20.202 1.00 0.00 EP
ATOM 1371 HG SER P 2 0.560 22.059 -20.884 1.00 0.00 H
ATOM 1372 LPGA SER P 2 1.306 21.530 -20.470 1.00 0.00 EP
ATOM 1373 LPGB SER P 2 0.837 21.622 -20.024 1.00 0.00 EP
ATOM 1374 N SER P 3 4.971 23.039 -18.444 1.00 0.00 N
ATOM 1375 DN SER P 3 4.971 23.039 -18.444 1.00 0.00 EP
ATOM 1376 H SER P 3 5.184 22.392 -19.168 1.00 0.00 H
ATOM 1377 CA SER P 3 6.120 23.188 -17.580 1.00 0.00 C
ATOM 1378 DCA SER P 3 6.120 23.188 -17.580 1.00 0.00 EP
ATOM 1379 HA SER P 3 5.871 23.739 -16.683 1.00 0.00 H
ATOM 1380 C SER P 3 6.442 21.733 -17.191 1.00 0.00 C
ATOM 1381 DC SER P 3 6.442 21.733 -17.191 1.00 0.00 EP
ATOM 1382 CB SER P 3 7.360 23.800 -18.276 1.00 0.00 C
ATOM 1383 DCB SER P 3 7.360 23.800 -18.276 1.00 0.00 EP
ATOM 1384 HB3 SER P 3 7.656 23.163 -19.140 1.00 0.00 H
ATOM 1385 HB2 SER P 3 8.214 23.828 -17.562 1.00 0.00 H
ATOM 1386 OG SER P 3 7.081 25.117 -18.754 1.00 0.00 O
ATOM 1387 DOG SER P 3 7.081 25.117 -18.754 1.00 0.00 EP
ATOM 1388 HG SER P 3 6.747 25.614 -18.001 1.00 0.00 H
ATOM 1389 LPGA SER P 3 7.363 25.322 -18.727 1.00 0.00 EP
ATOM 1390 LPGB SER P 3 6.754 25.139 -18.876 1.00 0.00 EP
ATOM 1391 O SER P 3 6.638 20.907 -18.126 1.00 0.00 O
ATOM 1392 DOT1 SER P 3 6.638 20.907 -18.126 1.00 0.00 EP
ATOM 1393 OXT SER P 3 6.387 21.403 -15.982 1.00 0.00 O
ATOM 1394 DOT2 SER P 3 6.387 21.403 -15.982 1.00 0.00 EP
ATOM 1395 LPT1 SER P 3 6.673 20.584 -17.996 1.00 0.00 EP
ATOM 1396 LPT2 SER P 3 6.641 21.073 -18.434 1.00 0.00 EP
ATOM 1397 LPT3 SER P 3 6.433 21.057 -15.950 1.00 0.00 EP
ATOM 1398 LPT4 SER P 3 6.330 21.685 -15.784 1.00 0.00 EP
TER 1399 SER P 3
ATOM 1400 N THR Q 1 3.426 21.129 -2.979 1.00 0.00 N
ATOM 1401 DN THR Q 1 3.426 21.129 -2.979 1.00 0.00 EP
ATOM 1402 H THR Q 1 2.967 20.194 -2.938 1.00 0.00 H
ATOM 1403 H2 THR Q 1 2.809 21.782 -2.425 1.00 0.00 H
ATOM 1404 H3 THR Q 1 3.524 21.457 -3.956 1.00 0.00 H
ATOM 1405 CA THR Q 1 4.748 21.034 -2.257 1.00 0.00 C
ATOM 1406 DCA THR Q 1 4.748 21.034 -2.257 1.00 0.00 EP
ATOM 1407 HA THR Q 1 5.217 22.008 -2.273 1.00 0.00 H
ATOM 1408 C THR Q 1 4.343 20.706 -0.859 1.00 0.00 C
ATOM 1409 DC THR Q 1 4.343 20.706 -0.859 1.00 0.00 EP
ATOM 1410 O THR Q 1 3.604 19.745 -0.688 1.00 0.00 O
ATOM 1411 DO THR Q 1 3.604 19.745 -0.688 1.00 0.00 EP
ATOM 1412 LPOA THR Q 1 3.597 19.691 -0.983 1.00 0.00 EP
ATOM 1413 LPOB THR Q 1 3.605 19.791 -0.392 1.00 0.00 EP
ATOM 1414 CB THR Q 1 5.697 19.966 -2.802 1.00 0.00 C
ATOM 1415 DCB THR Q 1 5.697 19.966 -2.802 1.00 0.00 EP
ATOM 1416 HB THR Q 1 5.372 18.934 -2.520 1.00 0.00 H
ATOM 1417 OG1 THR Q 1 6.999 20.218 -2.297 1.00 0.00 O
ATOM 1418 DOG1 THR Q 1 6.999 20.218 -2.297 1.00 0.00 EP
ATOM 1419 HG1 THR Q 1 7.548 19.450 -2.503 1.00 0.00 H
ATOM 1420 LPGA THR Q 1 7.196 20.382 -2.536 1.00 0.00 EP
ATOM 1421 LPGB THR Q 1 7.028 20.109 -1.966 1.00 0.00 EP
ATOM 1422 CG2 THR Q 1 5.808 20.056 -4.333 1.00 0.00 C
ATOM 1423 DCG2 THR Q 1 5.808 20.056 -4.333 1.00 0.00 EP
ATOM 1424 HG21 THR Q 1 6.126 21.073 -4.649 1.00 0.00 H
ATOM 1425 HG22 THR Q 1 4.854 19.797 -4.835 1.00 0.00 H
ATOM 1426 HG23 THR Q 1 6.574 19.339 -4.702 1.00 0.00 H
ATOM 1427 N THR Q 2 4.660 21.600 0.095 1.00 0.00 N
ATOM 1428 DN THR Q 2 4.660 21.600 0.095 1.00 0.00 EP
ATOM 1429 H THR Q 2 5.565 22.017 0.150 1.00 0.00 H
ATOM 1430 CA THR Q 2 3.659 22.256 0.944 1.00 0.00 C
ATOM 1431 DCA THR Q 2 3.659 22.256 0.944 1.00 0.00 EP
ATOM 1432 HA THR Q 2 4.214 22.961 1.537 1.00 0.00 H
ATOM 1433 C THR Q 2 2.903 21.369 1.921 1.00 0.00 C
ATOM 1434 DC THR Q 2 2.903 21.369 1.921 1.00 0.00 EP
ATOM 1435 O THR Q 2 1.967 20.681 1.518 1.00 0.00 O
ATOM 1436 DO THR Q 2 1.967 20.681 1.518 1.00 0.00 EP
ATOM 1437 LPOA THR Q 2 2.005 20.784 1.238 1.00 0.00 EP
ATOM 1438 LPOB THR Q 2 1.921 20.572 1.794 1.00 0.00 EP
ATOM 1439 CB THR Q 2 2.627 23.107 0.181 1.00 0.00 C
ATOM 1440 DCB THR Q 2 2.627 23.107 0.181 1.00 0.00 EP
ATOM 1441 HB THR Q 2 1.880 23.543 0.890 1.00 0.00 H
ATOM 1442 OG1 THR Q 2 1.938 22.354 -0.819 1.00 0.00 O
ATOM 1443 DOG1 THR Q 2 1.938 22.354 -0.819 1.00 0.00 EP
ATOM 1444 HG1 THR Q 2 1.510 21.656 -0.284 1.00 0.00 H
ATOM 1445 LPGA THR Q 2 1.617 22.482 -0.873 1.00 0.00 EP
ATOM 1446 LPGB THR Q 2 2.143 22.101 -0.949 1.00 0.00 EP
ATOM 1447 CG2 THR Q 2 3.339 24.275 -0.519 1.00 0.00 C
ATOM 1448 DCG2 THR Q 2 3.339 24.275 -0.519 1.00 0.00 EP
ATOM 1449 HG21 THR Q 2 4.082 23.920 -1.259 1.00 0.00 H
ATOM 1450 HG22 THR Q 2 3.862 24.908 0.231 1.00 0.00 H
ATOM 1451 HG23 THR Q 2 2.594 24.912 -1.044 1.00 0.00 H
ATOM 1452 N THR Q 3 3.210 21.401 3.224 1.00 0.00 N
ATOM 1453 DN THR Q 3 3.210 21.401 3.224 1.00 0.00 EP
ATOM 1454 H THR Q 3 2.676 20.874 3.889 1.00 0.00 H
ATOM 1455 CA THR Q 3 4.151 22.264 3.924 1.00 0.00 C
ATOM 1456 DCA THR Q 3 4.151 22.264 3.924 1.00 0.00 EP
ATOM 1457 HA THR Q 3 4.066 23.274 3.558 1.00 0.00 H
ATOM 1458 C THR Q 3 3.675 22.319 5.386 1.00 0.00 C
ATOM 1459 DC THR Q 3 3.675 22.319 5.386 1.00 0.00 EP
ATOM 1460 CB THR Q 3 5.621 21.825 3.942 1.00 0.00 C
ATOM 1461 DCB THR Q 3 5.621 21.825 3.942 1.00 0.00 EP
ATOM 1462 HB THR Q 3 6.175 22.442 4.691 1.00 0.00 H
ATOM 1463 OG1 THR Q 3 6.260 22.006 2.681 1.00 0.00 O
ATOM 1464 DOG1 THR Q 3 6.260 22.006 2.681 1.00 0.00 EP
ATOM 1465 HG1 THR Q 3 7.183 21.813 2.868 1.00 0.00 H
ATOM 1466 LPGA THR Q 3 6.260 21.708 2.497 1.00 0.00 EP
ATOM 1467 LPGB THR Q 3 6.363 22.338 2.639 1.00 0.00 EP
ATOM 1468 CG2 THR Q 3 5.752 20.340 4.314 1.00 0.00 C
ATOM 1469 DCG2 THR Q 3 5.752 20.340 4.314 1.00 0.00 EP
ATOM 1470 HG21 THR Q 3 5.261 20.150 5.294 1.00 0.00 H
ATOM 1471 HG22 THR Q 3 5.262 19.700 3.551 1.00 0.00 H
ATOM 1472 HG23 THR Q 3 6.817 20.045 4.397 1.00 0.00 H
ATOM 1473 O THR Q 3 4.218 23.167 6.140 1.00 0.00 O
ATOM 1474 DOT1 THR Q 3 4.218 23.167 6.140 1.00 0.00 EP
ATOM 1475 OXT THR Q 3 2.775 21.516 5.757 1.00 0.00 O
ATOM 1476 DOT2 THR Q 3 2.775 21.516 5.757 1.00 0.00 EP
ATOM 1477 LPT1 THR Q 3 4.083 23.145 6.462 1.00 0.00 EP
ATOM 1478 LPT2 THR Q 3 4.457 23.350 5.961 1.00 0.00 EP
ATOM 1479 LPT3 THR Q 3 2.702 21.566 6.095 1.00 0.00 EP
ATOM 1480 LPT4 THR Q 3 2.677 21.314 5.488 1.00 0.00 EP
TER 1481 THR Q 3
ATOM 1482 N VAL R 1 4.688 19.445 20.996 1.00 0.00 N
ATOM 1483 DN VAL R 1 4.688 19.445 20.996 1.00 0.00 EP
ATOM 1484 H VAL R 1 5.366 18.973 20.361 1.00 0.00 H
ATOM 1485 H2 VAL R 1 5.319 19.741 21.802 1.00 0.00 H
ATOM 1486 H3 VAL R 1 3.934 18.820 21.316 1.00 0.00 H
ATOM 1487 CA VAL R 1 4.206 20.691 20.333 1.00 0.00 C
ATOM 1488 DCA VAL R 1 4.206 20.691 20.333 1.00 0.00 EP
ATOM 1489 HA VAL R 1 5.079 21.286 20.161 1.00 0.00 H
ATOM 1490 C VAL R 1 3.242 21.501 21.202 1.00 0.00 C
ATOM 1491 DC VAL R 1 3.242 21.501 21.202 1.00 0.00 EP
ATOM 1492 O VAL R 1 2.080 21.137 21.344 1.00 0.00 O
ATOM 1493 DO VAL R 1 2.080 21.137 21.344 1.00 0.00 EP
ATOM 1494 LPOA VAL R 1 2.128 20.899 21.167 1.00 0.00 EP
ATOM 1495 LPOB VAL R 1 2.023 21.372 21.521 1.00 0.00 EP
ATOM 1496 CB VAL R 1 3.672 20.384 18.921 1.00 0.00 C
ATOM 1497 DCB VAL R 1 3.672 20.384 18.921 1.00 0.00 EP
ATOM 1498 HB VAL R 1 4.538 20.035 18.305 1.00 0.00 H
ATOM 1499 CG1 VAL R 1 2.609 19.261 18.898 1.00 0.00 C
ATOM 1500 DCG1 VAL R 1 2.609 19.261 18.898 1.00 0.00 EP
ATOM 1501 HG11 VAL R 1 3.008 18.296 19.270 1.00 0.00 H
ATOM 1502 HG12 VAL R 1 2.269 19.099 17.851 1.00 0.00 H
ATOM 1503 HG13 VAL R 1 1.716 19.541 19.496 1.00 0.00 H
ATOM 1504 CG2 VAL R 1 3.139 21.668 18.248 1.00 0.00 C
ATOM 1505 DCG2 VAL R 1 3.139 21.668 18.248 1.00 0.00 EP
ATOM 1506 HG21 VAL R 1 2.889 21.465 17.184 1.00 0.00 H
ATOM 1507 HG22 VAL R 1 2.217 22.037 18.745 1.00 0.00 H
ATOM 1508 HG23 VAL R 1 3.903 22.476 18.271 1.00 0.00 H
ATOM 1509 N VAL R 2 3.626 22.603 21.888 1.00 0.00 N
ATOM 1510 DN VAL R 2 3.626 22.603 21.888 1.00 0.00 EP
ATOM 1511 H VAL R 2 2.879 23.070 22.350 1.00 0.00 H
ATOM 1512 CA VAL R 2 4.940 23.195 22.144 1.00 0.00 C
ATOM 1513 DCA VAL R 2 4.940 23.195 22.144 1.00 0.00 EP
ATOM 1514 HA VAL R 2 5.459 22.479 22.755 1.00 0.00 H
ATOM 1515 C VAL R 2 5.809 23.481 20.911 1.00 0.00 C
ATOM 1516 DC VAL R 2 5.809 23.481 20.911 1.00 0.00 EP
ATOM 1517 O VAL R 2 5.340 24.014 19.910 1.00 0.00 O
ATOM 1518 DO VAL R 2 5.340 24.014 19.910 1.00 0.00 EP
ATOM 1519 LPOA VAL R 2 5.070 24.030 20.039 1.00 0.00 EP
ATOM 1520 LPOB VAL R 2 5.607 24.002 19.772 1.00 0.00 EP
ATOM 1521 CB VAL R 2 4.788 24.441 23.029 1.00 0.00 C
ATOM 1522 DCB VAL R 2 4.788 24.441 23.029 1.00 0.00 EP
ATOM 1523 HB VAL R 2 4.215 24.133 23.937 1.00 0.00 H
ATOM 1524 CG1 VAL R 2 3.980 25.549 22.320 1.00 0.00 C
ATOM 1525 DCG1 VAL R 2 3.980 25.549 22.320 1.00 0.00 EP
ATOM 1526 HG11 VAL R 2 2.984 25.188 21.994 1.00 0.00 H
ATOM 1527 HG12 VAL R 2 4.524 25.924 21.427 1.00 0.00 H
ATOM 1528 HG13 VAL R 2 3.829 26.408 23.008 1.00 0.00 H
ATOM 1529 CG2 VAL R 2 6.154 24.975 23.510 1.00 0.00 C
ATOM 1530 DCG2 VAL R 2 6.154 24.975 23.510 1.00 0.00 EP
ATOM 1531 HG21 VAL R 2 6.721 24.185 24.046 1.00 0.00 H
ATOM 1532 HG22 VAL R 2 6.003 25.825 24.209 1.00 0.00 H
ATOM 1533 HG23 VAL R 2 6.766 25.343 22.659 1.00 0.00 H
ATOM 1534 N VAL R 3 7.103 23.104 20.891 1.00 0.00 N
ATOM 1535 DN VAL R 3 7.103 23.104 20.891 1.00 0.00 EP
ATOM 1536 H VAL R 3 7.629 23.332 20.080 1.00 0.00 H
ATOM 1537 CA VAL R 3 7.782 22.214 21.823 1.00 0.00 C
ATOM 1538 DCA VAL R 3 7.782 22.214 21.823 1.00 0.00 EP
ATOM 1539 HA VAL R 3 7.567 22.549 22.826 1.00 0.00 H
ATOM 1540 C VAL R 3 7.208 20.777 21.717 1.00 0.00 C
ATOM 1541 DC VAL R 3 7.208 20.777 21.717 1.00 0.00 EP
ATOM 1542 CB VAL R 3 9.306 22.251 21.687 1.00 0.00 C
ATOM 1543 DCB VAL R 3 9.306 22.251 21.687 1.00 0.00 EP
ATOM 1544 HB VAL R 3 9.742 21.463 22.346 1.00 0.00 H
ATOM 1545 CG1 VAL R 3 9.775 21.992 20.239 1.00 0.00 C
ATOM 1546 DCG1 VAL R 3 9.775 21.992 20.239 1.00 0.00 EP
ATOM 1547 HG11 VAL R 3 10.885 21.995 20.196 1.00 0.00 H
ATOM 1548 HG12 VAL R 3 9.403 22.772 19.545 1.00 0.00 H
ATOM 1549 HG13 VAL R 3 9.423 21.002 19.881 1.00 0.00 H
ATOM 1550 CG2 VAL R 3 9.810 23.623 22.182 1.00 0.00 C
ATOM 1551 DCG2 VAL R 3 9.810 23.623 22.182 1.00 0.00 EP
ATOM 1552 HG21 VAL R 3 10.919 23.659 22.138 1.00 0.00 H
ATOM 1553 HG22 VAL R 3 9.409 24.442 21.549 1.00 0.00 H
ATOM 1554 HG23 VAL R 3 9.495 23.799 23.232 1.00 0.00 H
ATOM 1555 O VAL R 3 7.286 20.124 20.644 1.00 0.00 O
ATOM 1556 DOT1 VAL R 3 7.286 20.124 20.644 1.00 0.00 EP
ATOM 1557 OXT VAL R 3 6.516 20.351 22.686 1.00 0.00 O
ATOM 1558 DOT2 VAL R 3 6.516 20.351 22.686 1.00 0.00 EP
ATOM 1559 LPT1 VAL R 3 7.096 19.831 20.668 1.00 0.00 EP
ATOM 1560 LPT2 VAL R 3 7.491 20.293 20.416 1.00 0.00 EP
ATOM 1561 LPT3 VAL R 3 6.367 20.046 22.601 1.00 0.00 EP
ATOM 1562 LPT4 VAL R 3 6.534 20.575 22.954 1.00 0.00 EP
TER 1563 VAL R 3
ATOM 1564 N TRP S 1 23.377 -18.215 -17.866 1.00 0.00 N
ATOM 1565 DN TRP S 1 23.377 -18.215 -17.866 1.00 0.00 EP
ATOM 1566 H TRP S 1 24.061 -17.543 -17.416 1.00 0.00 H
ATOM 1567 H2 TRP S 1 22.441 -18.003 -17.486 1.00 0.00 H
ATOM 1568 H3 TRP S 1 23.721 -19.122 -17.485 1.00 0.00 H
ATOM 1569 CA TRP S 1 23.442 -18.232 -19.357 1.00 0.00 C
ATOM 1570 DCA TRP S 1 23.442 -18.232 -19.357 1.00 0.00 EP
ATOM 1571 HA TRP S 1 22.577 -18.818 -19.639 1.00 0.00 H
ATOM 1572 C TRP S 1 23.190 -16.948 -20.160 1.00 0.00 C
ATOM 1573 DC TRP S 1 23.190 -16.948 -20.160 1.00 0.00 EP
ATOM 1574 O TRP S 1 22.368 -16.991 -21.067 1.00 0.00 O
ATOM 1575 DO TRP S 1 22.368 -16.991 -21.067 1.00 0.00 EP
ATOM 1576 LPOA TRP S 1 22.314 -17.281 -21.011 1.00 0.00 EP
ATOM 1577 LPOB TRP S 1 22.416 -16.702 -21.131 1.00 0.00 EP
ATOM 1578 CB TRP S 1 24.669 -19.057 -19.860 1.00 0.00 C
ATOM 1579 DCB TRP S 1 24.669 -19.057 -19.860 1.00 0.00 EP
ATOM 1580 HB3 TRP S 1 25.064 -18.610 -20.800 1.00 0.00 H
ATOM 1581 HB2 TRP S 1 25.504 -18.996 -19.130 1.00 0.00 H
ATOM 1582 CG TRP S 1 24.377 -20.499 -20.146 1.00 0.00 C
ATOM 1583 DCG TRP S 1 24.377 -20.499 -20.146 1.00 0.00 EP
ATOM 1584 CD1 TRP S 1 24.029 -20.998 -21.375 1.00 0.00 C
ATOM 1585 DCD1 TRP S 1 24.029 -20.998 -21.375 1.00 0.00 EP
ATOM 1586 HD1 TRP S 1 23.968 -20.400 -22.279 1.00 0.00 H
ATOM 1587 NE1 TRP S 1 23.782 -22.346 -21.271 1.00 0.00 N
ATOM 1588 DNE1 TRP S 1 23.782 -22.346 -21.271 1.00 0.00 EP
ATOM 1589 HE1 TRP S 1 23.534 -22.963 -21.987 1.00 0.00 H
ATOM 1590 CE2 TRP S 1 23.971 -22.748 -19.983 1.00 0.00 C
ATOM 1591 DCE2 TRP S 1 23.971 -22.748 -19.983 1.00 0.00 EP
ATOM 1592 CD2 TRP S 1 24.354 -21.611 -19.232 1.00 0.00 C
ATOM 1593 DCD2 TRP S 1 24.354 -21.611 -19.232 1.00 0.00 EP
ATOM 1594 CE3 TRP S 1 24.624 -21.750 -17.869 1.00 0.00 C
ATOM 1595 DCE3 TRP S 1 24.624 -21.750 -17.869 1.00 0.00 EP
ATOM 1596 HE3 TRP S 1 24.960 -20.919 -17.268 1.00 0.00 H
ATOM 1597 CZ3 TRP S 1 24.496 -23.014 -17.286 1.00 0.00 C
ATOM 1598 DCZ3 TRP S 1 24.496 -23.014 -17.286 1.00 0.00 EP
ATOM 1599 HZ3 TRP S 1 24.710 -23.137 -16.232 1.00 0.00 H
ATOM 1600 CZ2 TRP S 1 23.838 -23.999 -19.404 1.00 0.00 C
ATOM 1601 DCZ2 TRP S 1 23.838 -23.999 -19.404 1.00 0.00 EP
ATOM 1602 HZ2 TRP S 1 23.542 -24.861 -19.981 1.00 0.00 H
ATOM 1603 CH2 TRP S 1 24.106 -24.118 -18.038 1.00 0.00 C
ATOM 1604 DCH2 TRP S 1 24.106 -24.118 -18.038 1.00 0.00 EP
ATOM 1605 HH2 TRP S 1 24.018 -25.084 -17.557 1.00 0.00 H
ATOM 1606 LP TRP S 1 24.232 -22.888 -18.631 1.00 0.00 EP
ATOM 1607 N TRP S 2 23.775 -15.750 -19.931 1.00 0.00 N
ATOM 1608 DN TRP S 2 23.775 -15.750 -19.931 1.00 0.00 EP
ATOM 1609 H TRP S 2 23.465 -15.042 -20.560 1.00 0.00 H
ATOM 1610 CA TRP S 2 24.743 -15.268 -18.956 1.00 0.00 C
ATOM 1611 DCA TRP S 2 24.743 -15.268 -18.956 1.00 0.00 EP
ATOM 1612 HA TRP S 2 24.286 -15.419 -17.992 1.00 0.00 H
ATOM 1613 C TRP S 2 26.076 -15.998 -18.892 1.00 0.00 C
ATOM 1614 DC TRP S 2 26.076 -15.998 -18.892 1.00 0.00 EP
ATOM 1615 O TRP S 2 26.418 -16.756 -19.787 1.00 0.00 O
ATOM 1616 DO TRP S 2 26.418 -16.756 -19.787 1.00 0.00 EP
ATOM 1617 LPOA TRP S 2 26.164 -16.703 -19.937 1.00 0.00 EP
ATOM 1618 LPOB TRP S 2 26.676 -16.816 -19.645 1.00 0.00 EP
ATOM 1619 CB TRP S 2 24.966 -13.740 -19.119 1.00 0.00 C
ATOM 1620 DCB TRP S 2 24.966 -13.740 -19.119 1.00 0.00 EP
ATOM 1621 HB3 TRP S 2 25.647 -13.362 -18.327 1.00 0.00 H
ATOM 1622 HB2 TRP S 2 25.457 -13.552 -20.100 1.00 0.00 H
ATOM 1623 CG TRP S 2 23.696 -12.952 -19.037 1.00 0.00 C
ATOM 1624 DCG TRP S 2 23.696 -12.952 -19.037 1.00 0.00 EP
ATOM 1625 CD1 TRP S 2 23.131 -12.192 -20.030 1.00 0.00 C
ATOM 1626 DCD1 TRP S 2 23.131 -12.192 -20.030 1.00 0.00 EP
ATOM 1627 HD1 TRP S 2 23.583 -12.023 -21.001 1.00 0.00 H
ATOM 1628 NE1 TRP S 2 21.929 -11.686 -19.592 1.00 0.00 N
ATOM 1629 DNE1 TRP S 2 21.929 -11.686 -19.592 1.00 0.00 EP
ATOM 1630 HE1 TRP S 2 21.313 -11.104 -20.078 1.00 0.00 H
ATOM 1631 CE2 TRP S 2 21.692 -12.106 -18.316 1.00 0.00 C
ATOM 1632 DCE2 TRP S 2 21.692 -12.106 -18.316 1.00 0.00 EP
ATOM 1633 CD2 TRP S 2 22.786 -12.912 -17.921 1.00 0.00 C
ATOM 1634 DCD2 TRP S 2 22.786 -12.912 -17.921 1.00 0.00 EP
ATOM 1635 CE3 TRP S 2 22.793 -13.484 -16.646 1.00 0.00 C
ATOM 1636 DCE3 TRP S 2 22.793 -13.484 -16.646 1.00 0.00 EP
ATOM 1637 HE3 TRP S 2 23.612 -14.102 -16.302 1.00 0.00 H
ATOM 1638 CZ3 TRP S 2 21.709 -13.240 -15.798 1.00 0.00 C
ATOM 1639 DCZ3 TRP S 2 21.709 -13.240 -15.798 1.00 0.00 EP
ATOM 1640 HZ3 TRP S 2 21.701 -13.674 -14.805 1.00 0.00 H
ATOM 1641 CZ2 TRP S 2 20.618 -11.866 -17.475 1.00 0.00 C
ATOM 1642 DCZ2 TRP S 2 20.618 -11.866 -17.475 1.00 0.00 EP
ATOM 1643 HZ2 TRP S 2 19.787 -11.251 -17.781 1.00 0.00 H
ATOM 1644 CH2 TRP S 2 20.642 -12.445 -16.204 1.00 0.00 C
ATOM 1645 DCH2 TRP S 2 20.642 -12.445 -16.204 1.00 0.00 EP
ATOM 1646 HH2 TRP S 2 19.818 -12.273 -15.523 1.00 0.00 H
ATOM 1647 LP TRP S 2 21.697 -12.671 -17.053 1.00 0.00 EP
ATOM 1648 N TRP S 3 26.807 -15.785 -17.777 1.00 0.00 N
ATOM 1649 DN TRP S 3 26.807 -15.785 -17.777 1.00 0.00 EP
ATOM 1650 H TRP S 3 26.702 -14.920 -17.310 1.00 0.00 H
ATOM 1651 CA TRP S 3 27.123 -16.848 -16.826 1.00 0.00 C
ATOM 1652 DCA TRP S 3 27.123 -16.848 -16.826 1.00 0.00 EP
ATOM 1653 HA TRP S 3 27.429 -16.318 -15.936 1.00 0.00 H
ATOM 1654 C TRP S 3 25.812 -17.556 -16.384 1.00 0.00 C
ATOM 1655 DC TRP S 3 25.812 -17.556 -16.384 1.00 0.00 EP
ATOM 1656 CB TRP S 3 28.344 -17.779 -17.146 1.00 0.00 C
ATOM 1657 DCB TRP S 3 28.344 -17.779 -17.146 1.00 0.00 EP
ATOM 1658 HB3 TRP S 3 29.229 -17.123 -17.287 1.00 0.00 H
ATOM 1659 HB2 TRP S 3 28.533 -18.378 -16.227 1.00 0.00 H
ATOM 1660 CG TRP S 3 28.284 -18.727 -18.308 1.00 0.00 C
ATOM 1661 DCG TRP S 3 28.284 -18.727 -18.308 1.00 0.00 EP
ATOM 1662 CD1 TRP S 3 27.819 -20.015 -18.235 1.00 0.00 C
ATOM 1663 DCD1 TRP S 3 27.819 -20.015 -18.235 1.00 0.00 EP
ATOM 1664 HD1 TRP S 3 27.362 -20.430 -17.343 1.00 0.00 H
ATOM 1665 NE1 TRP S 3 27.958 -20.631 -19.456 1.00 0.00 N
ATOM 1666 DNE1 TRP S 3 27.958 -20.631 -19.456 1.00 0.00 EP
ATOM 1667 HE1 TRP S 3 27.627 -21.514 -19.708 1.00 0.00 H
ATOM 1668 CE2 TRP S 3 28.550 -19.770 -20.333 1.00 0.00 C
ATOM 1669 DCE2 TRP S 3 28.550 -19.770 -20.333 1.00 0.00 EP
ATOM 1670 CD2 TRP S 3 28.790 -18.556 -19.646 1.00 0.00 C
ATOM 1671 DCD2 TRP S 3 28.790 -18.556 -19.646 1.00 0.00 EP
ATOM 1672 CE3 TRP S 3 29.424 -17.506 -20.315 1.00 0.00 C
ATOM 1673 DCE3 TRP S 3 29.424 -17.506 -20.315 1.00 0.00 EP
ATOM 1674 HE3 TRP S 3 29.602 -16.566 -19.816 1.00 0.00 H
ATOM 1675 CZ3 TRP S 3 29.789 -17.683 -21.653 1.00 0.00 C
ATOM 1676 DCZ3 TRP S 3 29.789 -17.683 -21.653 1.00 0.00 EP
ATOM 1677 HZ3 TRP S 3 30.270 -16.872 -22.185 1.00 0.00 H
ATOM 1678 CZ2 TRP S 3 28.912 -19.947 -21.659 1.00 0.00 C
ATOM 1679 DCZ2 TRP S 3 28.912 -19.947 -21.659 1.00 0.00 EP
ATOM 1680 HZ2 TRP S 3 28.727 -20.875 -22.173 1.00 0.00 H
ATOM 1681 CH2 TRP S 3 29.538 -18.882 -22.314 1.00 0.00 C
ATOM 1682 DCH2 TRP S 3 29.538 -18.882 -22.314 1.00 0.00 EP
ATOM 1683 HH2 TRP S 3 29.834 -18.989 -23.350 1.00 0.00 H
ATOM 1684 LP TRP S 3 29.171 -18.728 -21.001 1.00 0.00 EP
ATOM 1685 O TRP S 3 24.820 -16.808 -16.143 1.00 0.00 O
ATOM 1686 DOT1 TRP S 3 24.820 -16.808 -16.143 1.00 0.00 EP
ATOM 1687 OXT TRP S 3 25.696 -18.805 -16.381 1.00 0.00 O
ATOM 1688 DOT2 TRP S 3 25.696 -18.805 -16.381 1.00 0.00 EP
ATOM 1689 LPT1 TRP S 3 24.536 -17.003 -16.082 1.00 0.00 EP
ATOM 1690 LPT2 TRP S 3 24.917 -16.472 -16.159 1.00 0.00 EP
ATOM 1691 LPT3 TRP S 3 25.366 -18.895 -16.307 1.00 0.00 EP
ATOM 1692 LPT4 TRP S 3 26.004 -18.954 -16.455 1.00 0.00 EP
TER 1693 TRP S 3
ATOM 1694 N TYR T 1 24.986 -17.799 -1.768 1.00 0.00 N
ATOM 1695 DN TYR T 1 24.986 -17.799 -1.768 1.00 0.00 EP
ATOM 1696 H TYR T 1 25.803 -18.430 -1.638 1.00 0.00 H
ATOM 1697 H2 TYR T 1 25.309 -16.825 -1.515 1.00 0.00 H
ATOM 1698 H3 TYR T 1 24.654 -17.832 -2.750 1.00 0.00 H
ATOM 1699 CA TYR T 1 23.911 -18.208 -0.797 1.00 0.00 C
ATOM 1700 DCA TYR T 1 23.911 -18.208 -0.797 1.00 0.00 EP
ATOM 1701 HA TYR T 1 23.057 -17.559 -0.936 1.00 0.00 H
ATOM 1702 C TYR T 1 24.497 -17.931 0.558 1.00 0.00 C
ATOM 1703 DC TYR T 1 24.497 -17.931 0.558 1.00 0.00 EP
ATOM 1704 O TYR T 1 25.494 -18.548 0.911 1.00 0.00 O
ATOM 1705 DO TYR T 1 25.494 -18.548 0.911 1.00 0.00 EP
ATOM 1706 LPOA TYR T 1 25.500 -18.698 0.651 1.00 0.00 EP
ATOM 1707 LPOB TYR T 1 25.497 -18.404 1.174 1.00 0.00 EP
ATOM 1708 CB TYR T 1 23.531 -19.709 -0.953 1.00 0.00 C
ATOM 1709 DCB TYR T 1 23.531 -19.709 -0.953 1.00 0.00 EP
ATOM 1710 HB3 TYR T 1 22.761 -19.993 -0.202 1.00 0.00 H
ATOM 1711 HB2 TYR T 1 24.413 -20.369 -0.796 1.00 0.00 H
ATOM 1712 CG TYR T 1 22.944 -19.973 -2.315 1.00 0.00 C
ATOM 1713 DCG TYR T 1 22.944 -19.973 -2.315 1.00 0.00 EP
ATOM 1714 CD1 TYR T 1 23.591 -20.826 -3.227 1.00 0.00 C
ATOM 1715 DCD1 TYR T 1 23.591 -20.826 -3.227 1.00 0.00 EP
ATOM 1716 HD1 TYR T 1 24.514 -21.316 -2.951 1.00 0.00 H
ATOM 1717 CD2 TYR T 1 21.728 -19.375 -2.688 1.00 0.00 C
ATOM 1718 DCD2 TYR T 1 21.728 -19.375 -2.688 1.00 0.00 EP
ATOM 1719 HD2 TYR T 1 21.195 -18.741 -1.994 1.00 0.00 H
ATOM 1720 CE1 TYR T 1 23.045 -21.058 -4.498 1.00 0.00 C
ATOM 1721 DCE1 TYR T 1 23.045 -21.058 -4.498 1.00 0.00 EP
ATOM 1722 HE1 TYR T 1 23.551 -21.715 -5.190 1.00 0.00 H
ATOM 1723 CE2 TYR T 1 21.184 -19.604 -3.959 1.00 0.00 C
ATOM 1724 DCE2 TYR T 1 21.184 -19.604 -3.959 1.00 0.00 EP
ATOM 1725 HE2 TYR T 1 20.248 -19.145 -4.246 1.00 0.00 H
ATOM 1726 CZ TYR T 1 21.843 -20.441 -4.862 1.00 0.00 C
ATOM 1727 DCZ TYR T 1 21.843 -20.441 -4.862 1.00 0.00 EP
ATOM 1728 OH TYR T 1 21.279 -20.658 -6.132 1.00 0.00 O
ATOM 1729 DOH TYR T 1 21.279 -20.658 -6.132 1.00 0.00 EP
ATOM 1730 HH TYR T 1 21.818 -21.299 -6.600 1.00 0.00 H
ATOM 1731 LP1A TYR T 1 21.043 -20.916 -6.122 1.00 0.00 EP
ATOM 1732 LP1B TYR T 1 21.407 -20.431 -6.366 1.00 0.00 EP
ATOM 1733 LP TYR T 1 22.378 -20.227 -3.594 1.00 0.00 EP
ATOM 1734 N TYR T 2 24.000 -16.869 1.233 1.00 0.00 N
ATOM 1735 DN TYR T 2 24.000 -16.869 1.233 1.00 0.00 EP
ATOM 1736 H TYR T 2 23.063 -16.557 1.122 1.00 0.00 H
ATOM 1737 CA TYR T 2 24.878 -15.865 1.834 1.00 0.00 C
ATOM 1738 DCA TYR T 2 24.878 -15.865 1.834 1.00 0.00 EP
ATOM 1739 HA TYR T 2 24.239 -15.043 2.125 1.00 0.00 H
ATOM 1740 C TYR T 2 25.848 -15.255 0.809 1.00 0.00 C
ATOM 1741 DC TYR T 2 25.848 -15.255 0.809 1.00 0.00 EP
ATOM 1742 O TYR T 2 25.761 -15.534 -0.396 1.00 0.00 O
ATOM 1743 DO TYR T 2 25.761 -15.534 -0.396 1.00 0.00 EP
ATOM 1744 LPOA TYR T 2 25.527 -15.715 -0.343 1.00 0.00 EP
ATOM 1745 LPOB TYR T 2 25.994 -15.356 -0.460 1.00 0.00 EP
ATOM 1746 CB TYR T 2 25.610 -16.348 3.120 1.00 0.00 C
ATOM 1747 DCB TYR T 2 25.610 -16.348 3.120 1.00 0.00 EP
ATOM 1748 HB3 TYR T 2 26.304 -17.185 2.895 1.00 0.00 H
ATOM 1749 HB2 TYR T 2 26.206 -15.533 3.586 1.00 0.00 H
ATOM 1750 CG TYR T 2 24.600 -16.803 4.137 1.00 0.00 C
ATOM 1751 DCG TYR T 2 24.600 -16.803 4.137 1.00 0.00 EP
ATOM 1752 CD1 TYR T 2 24.337 -18.170 4.332 1.00 0.00 C
ATOM 1753 DCD1 TYR T 2 24.337 -18.170 4.332 1.00 0.00 EP
ATOM 1754 HD1 TYR T 2 24.865 -18.902 3.737 1.00 0.00 H
ATOM 1755 CD2 TYR T 2 23.927 -15.860 4.934 1.00 0.00 C
ATOM 1756 DCD2 TYR T 2 23.927 -15.860 4.934 1.00 0.00 EP
ATOM 1757 HD2 TYR T 2 24.142 -14.808 4.809 1.00 0.00 H
ATOM 1758 CE1 TYR T 2 23.396 -18.585 5.284 1.00 0.00 C
ATOM 1759 DCE1 TYR T 2 23.396 -18.585 5.284 1.00 0.00 EP
ATOM 1760 HE1 TYR T 2 23.195 -19.636 5.430 1.00 0.00 H
ATOM 1761 CE2 TYR T 2 22.990 -16.274 5.891 1.00 0.00 C
ATOM 1762 DCE2 TYR T 2 22.990 -16.274 5.891 1.00 0.00 EP
ATOM 1763 HE2 TYR T 2 22.482 -15.536 6.494 1.00 0.00 H
ATOM 1764 CZ TYR T 2 22.723 -17.637 6.061 1.00 0.00 C
ATOM 1765 DCZ TYR T 2 22.723 -17.637 6.061 1.00 0.00 EP
ATOM 1766 OH TYR T 2 21.784 -18.064 7.018 1.00 0.00 O
ATOM 1767 DOH TYR T 2 21.784 -18.064 7.018 1.00 0.00 EP
ATOM 1768 HH TYR T 2 21.497 -17.292 7.507 1.00 0.00 H
ATOM 1769 LP1A TYR T 2 21.460 -18.061 6.885 1.00 0.00 EP
ATOM 1770 LP1B TYR T 2 21.943 -18.154 7.316 1.00 0.00 EP
ATOM 1771 LP TYR T 2 23.669 -17.225 5.124 1.00 0.00 EP
ATOM 1772 N TYR T 3 26.758 -14.403 1.270 1.00 0.00 N
ATOM 1773 DN TYR T 3 26.758 -14.403 1.270 1.00 0.00 EP
ATOM 1774 H TYR T 3 26.832 -14.070 2.215 1.00 0.00 H
ATOM 1775 CA TYR T 3 27.795 -13.764 0.513 1.00 0.00 C
ATOM 1776 DCA TYR T 3 27.795 -13.764 0.513 1.00 0.00 EP
ATOM 1777 HA TYR T 3 27.365 -13.276 -0.349 1.00 0.00 H
ATOM 1778 C TYR T 3 28.316 -12.638 1.438 1.00 0.00 C
ATOM 1779 DC TYR T 3 28.316 -12.638 1.438 1.00 0.00 EP
ATOM 1780 CB TYR T 3 28.931 -14.743 0.083 1.00 0.00 C
ATOM 1781 DCB TYR T 3 28.931 -14.743 0.083 1.00 0.00 EP
ATOM 1782 HB3 TYR T 3 28.566 -15.376 -0.750 1.00 0.00 H
ATOM 1783 HB2 TYR T 3 29.808 -14.161 -0.277 1.00 0.00 H
ATOM 1784 CG TYR T 3 29.381 -15.641 1.214 1.00 0.00 C
ATOM 1785 DCG TYR T 3 29.381 -15.641 1.214 1.00 0.00 EP
ATOM 1786 CD1 TYR T 3 30.232 -15.150 2.218 1.00 0.00 C
ATOM 1787 DCD1 TYR T 3 30.232 -15.150 2.218 1.00 0.00 EP
ATOM 1788 HD1 TYR T 3 30.546 -14.114 2.183 1.00 0.00 H
ATOM 1789 CD2 TYR T 3 28.970 -16.986 1.274 1.00 0.00 C
ATOM 1790 DCD2 TYR T 3 28.970 -16.986 1.274 1.00 0.00 EP
ATOM 1791 HD2 TYR T 3 28.315 -17.376 0.512 1.00 0.00 H
ATOM 1792 CE1 TYR T 3 30.642 -15.972 3.276 1.00 0.00 C
ATOM 1793 DCE1 TYR T 3 30.642 -15.972 3.276 1.00 0.00 EP
ATOM 1794 HE1 TYR T 3 31.281 -15.564 4.044 1.00 0.00 H
ATOM 1795 CE2 TYR T 3 29.379 -17.812 2.331 1.00 0.00 C
ATOM 1796 DCE2 TYR T 3 29.379 -17.812 2.331 1.00 0.00 EP
ATOM 1797 HE2 TYR T 3 29.050 -18.839 2.382 1.00 0.00 H
ATOM 1798 CZ TYR T 3 30.213 -17.303 3.330 1.00 0.00 C
ATOM 1799 DCZ TYR T 3 30.213 -17.303 3.330 1.00 0.00 EP
ATOM 1800 OH TYR T 3 30.613 -18.132 4.395 1.00 0.00 O
ATOM 1801 DOH TYR T 3 30.613 -18.132 4.395 1.00 0.00 EP
ATOM 1802 HH TYR T 3 31.135 -17.589 4.990 1.00 0.00 H
ATOM 1803 LP1A TYR T 3 30.375 -18.130 4.651 1.00 0.00 EP
ATOM 1804 LP1B TYR T 3 30.917 -18.291 4.322 1.00 0.00 EP
ATOM 1805 LP TYR T 3 29.817 -16.488 2.268 1.00 0.00 EP
ATOM 1806 O TYR T 3 27.842 -12.571 2.609 1.00 0.00 O
ATOM 1807 DOT1 TYR T 3 27.842 -12.571 2.609 1.00 0.00 EP
ATOM 1808 OXT TYR T 3 29.179 -11.848 0.980 1.00 0.00 O
ATOM 1809 DOT2 TYR T 3 29.179 -11.848 0.980 1.00 0.00 EP
ATOM 1810 LPT1 TYR T 3 27.987 -12.303 2.781 1.00 0.00 EP
ATOM 1811 LPT2 TYR T 3 27.608 -12.827 2.658 1.00 0.00 EP
ATOM 1812 LPT3 TYR T 3 29.266 -11.612 1.223 1.00 0.00 EP
ATOM 1813 LPT4 TYR T 3 29.257 -11.934 0.650 1.00 0.00 EP
TER 1814 TYR T 3
END
wrappers/python/tests/systems/test_charmm_peptide_3.pdb 0 → 100644
View file @ be646878
REMARK 1 CREATED WITH OPENMM 8.3, 2025-07-01
CRYST1 24.000 24.000 24.000 90.00 90.00 90.00 P 1 1
ATOM 1 N GLY A 1 -6.274 -1.954 4.174 1.00 0.00 N
ATOM 2 CA GLY A 1 -6.600 -1.462 2.797 1.00 0.00 C
ATOM 3 C GLY A 1 -5.465 -1.599 1.823 1.00 0.00 C
ATOM 4 O GLY A 1 -4.649 -2.500 1.958 1.00 0.00 O
ATOM 5 H GLY A 1 -5.496 -1.418 4.630 1.00 0.00 H
ATOM 6 H2 GLY A 1 -5.943 -2.956 4.190 1.00 0.00 H
ATOM 7 H3 GLY A 1 -7.112 -1.843 4.800 1.00 0.00 H
ATOM 8 HA2 GLY A 1 -7.410 -2.070 2.428 1.00 0.00 H
ATOM 9 HA3 GLY A 1 -6.850 -0.414 2.880 1.00 0.00 H
ATOM 10 N TYR A 2 -5.371 -0.720 0.809 1.00 0.00 N
ATOM 11 CA TYR A 2 -4.230 -0.674 -0.093 1.00 0.00 C
ATOM 12 C TYR A 2 -3.463 0.617 0.174 1.00 0.00 C
ATOM 13 O TYR A 2 -4.013 1.720 0.097 1.00 0.00 O
ATOM 14 CB TYR A 2 -4.675 -0.812 -1.581 1.00 0.00 C
ATOM 15 CG TYR A 2 -3.519 -0.744 -2.554 1.00 0.00 C
ATOM 16 CD1 TYR A 2 -2.895 -1.910 -3.034 1.00 0.00 C
ATOM 17 CD2 TYR A 2 -3.072 0.501 -3.024 1.00 0.00 C
ATOM 18 CE1 TYR A 2 -1.832 -1.825 -3.948 1.00 0.00 C
ATOM 19 CE2 TYR A 2 -2.004 0.591 -3.923 1.00 0.00 C
ATOM 20 CZ TYR A 2 -1.385 -0.573 -4.387 1.00 0.00 C
ATOM 21 OH TYR A 2 -0.316 -0.471 -5.298 1.00 0.00 O
ATOM 22 H TYR A 2 -6.085 -0.031 0.647 1.00 0.00 H
ATOM 23 HA TYR A 2 -3.549 -1.489 0.122 1.00 0.00 H
ATOM 24 HB2 TYR A 2 -5.184 -1.790 -1.715 1.00 0.00 H
ATOM 25 HB3 TYR A 2 -5.401 -0.010 -1.835 1.00 0.00 H
ATOM 26 HD1 TYR A 2 -3.234 -2.877 -2.691 1.00 0.00 H
ATOM 27 HD2 TYR A 2 -3.545 1.404 -2.672 1.00 0.00 H
ATOM 28 HE1 TYR A 2 -1.347 -2.721 -4.309 1.00 0.00 H
ATOM 29 HE2 TYR A 2 -1.671 1.562 -4.257 1.00 0.00 H
ATOM 30 HH TYR A 2 -0.007 0.453 -5.271 1.00 0.00 H
ATOM 31 N ASP A 3 -2.169 0.498 0.522 1.00 0.00 N
ATOM 32 CA ASP A 3 -1.368 1.602 1.002 1.00 0.00 C
ATOM 33 C ASP A 3 -0.444 2.119 -0.108 1.00 0.00 C
ATOM 34 O ASP A 3 0.309 1.327 -0.683 1.00 0.00 O
ATOM 35 CB ASP A 3 -0.589 1.125 2.261 1.00 0.00 C
ATOM 36 CG ASP A 3 0.254 2.181 2.948 1.00 0.00 C
ATOM 37 OD1 ASP A 3 0.313 3.347 2.481 1.00 0.00 O
ATOM 38 OD2 ASP A 3 0.843 1.853 4.007 1.00 0.00 O
ATOM 39 H ASP A 3 -1.713 -0.394 0.509 1.00 0.00 H
ATOM 40 HA ASP A 3 -2.028 2.392 1.327 1.00 0.00 H
ATOM 41 HB2 ASP A 3 -1.326 0.748 3.001 1.00 0.00 H
ATOM 42 HB3 ASP A 3 0.077 0.281 1.990 1.00 0.00 H
ATOM 43 N PRO A 4 -0.421 3.407 -0.468 1.00 0.00 N
ATOM 44 CA PRO A 4 0.523 3.917 -1.451 1.00 0.00 C
ATOM 45 C PRO A 4 1.936 4.056 -0.894 1.00 0.00 C
ATOM 46 O PRO A 4 2.826 4.393 -1.677 1.00 0.00 O
ATOM 47 CB PRO A 4 -0.079 5.283 -1.835 1.00 0.00 C
ATOM 48 CG PRO A 4 -0.797 5.747 -0.565 1.00 0.00 C
ATOM 49 CD PRO A 4 -1.358 4.438 -0.009 1.00 0.00 C
ATOM 50 HA PRO A 4 0.575 3.234 -2.287 1.00 0.00 H
ATOM 51 HB2 PRO A 4 0.670 6.015 -2.196 1.00 0.00 H
ATOM 52 HB3 PRO A 4 -0.834 5.124 -2.638 1.00 0.00 H
ATOM 53 HG2 PRO A 4 -0.057 6.166 0.152 1.00 0.00 H
ATOM 54 HG3 PRO A 4 -1.586 6.497 -0.769 1.00 0.00 H
ATOM 55 HD2 PRO A 4 -1.420 4.470 1.100 1.00 0.00 H
ATOM 56 HD3 PRO A 4 -2.358 4.222 -0.441 1.00 0.00 H
ATOM 57 N GLU A 5 2.208 3.789 0.404 1.00 0.00 N
ATOM 58 CA GLU A 5 3.575 3.720 0.907 1.00 0.00 C
ATOM 59 C GLU A 5 4.167 2.385 0.491 1.00 0.00 C
ATOM 60 O GLU A 5 5.100 2.323 -0.311 1.00 0.00 O
ATOM 61 CB GLU A 5 3.623 3.859 2.458 1.00 0.00 C
ATOM 62 CG GLU A 5 4.941 4.475 3.016 1.00 0.00 C
ATOM 63 CD GLU A 5 6.166 3.568 3.104 1.00 0.00 C
ATOM 64 OE1 GLU A 5 6.123 2.356 2.791 1.00 0.00 O
ATOM 65 OE2 GLU A 5 7.228 4.108 3.518 1.00 0.00 O
ATOM 66 H GLU A 5 1.469 3.588 1.066 1.00 0.00 H
ATOM 67 HA GLU A 5 4.163 4.506 0.457 1.00 0.00 H
ATOM 68 HB2 GLU A 5 2.796 4.558 2.719 1.00 0.00 H
ATOM 69 HB3 GLU A 5 3.379 2.916 2.991 1.00 0.00 H
ATOM 70 HG2 GLU A 5 5.230 5.358 2.408 1.00 0.00 H
ATOM 71 HG3 GLU A 5 4.753 4.809 4.061 1.00 0.00 H
ATOM 72 N THR A 6 3.591 1.274 0.992 1.00 0.00 N
ATOM 73 CA THR A 6 4.025 -0.081 0.690 1.00 0.00 C
ATOM 74 C THR A 6 3.861 -0.453 -0.774 1.00 0.00 C
ATOM 75 O THR A 6 4.703 -1.128 -1.367 1.00 0.00 O
ATOM 76 CB THR A 6 3.349 -1.151 1.555 1.00 0.00 C
ATOM 77 OG1 THR A 6 1.959 -1.285 1.287 1.00 0.00 O
ATOM 78 CG2 THR A 6 3.485 -0.794 3.042 1.00 0.00 C
ATOM 79 H THR A 6 2.834 1.352 1.638 1.00 0.00 H
ATOM 80 HA THR A 6 5.081 -0.120 0.905 1.00 0.00 H
ATOM 81 HB THR A 6 3.850 -2.132 1.383 1.00 0.00 H
ATOM 82 HG1 THR A 6 1.746 -2.222 1.446 1.00 0.00 H
ATOM 83 HG21 THR A 6 4.548 -0.623 3.308 1.00 0.00 H
ATOM 84 HG22 THR A 6 3.092 -1.616 3.677 1.00 0.00 H
ATOM 85 HG23 THR A 6 2.911 0.125 3.290 1.00 0.00 H
ATOM 86 N GLY A 7 2.732 -0.043 -1.394 1.00 0.00 N
ATOM 87 CA GLY A 7 2.294 -0.524 -2.698 1.00 0.00 C
ATOM 88 C GLY A 7 1.749 -1.925 -2.606 1.00 0.00 C
ATOM 89 O GLY A 7 1.874 -2.720 -3.537 1.00 0.00 O
ATOM 90 H GLY A 7 2.077 0.525 -0.885 1.00 0.00 H
ATOM 91 HA2 GLY A 7 1.485 0.111 -3.025 1.00 0.00 H
ATOM 92 HA3 GLY A 7 3.133 -0.535 -3.378 1.00 0.00 H
ATOM 93 N THR A 8 1.164 -2.268 -1.443 1.00 0.00 N
ATOM 94 CA THR A 8 0.659 -3.596 -1.128 1.00 0.00 C
ATOM 95 C THR A 8 -0.714 -3.461 -0.520 1.00 0.00 C
ATOM 96 O THR A 8 -1.117 -2.416 -0.012 1.00 0.00 O
ATOM 97 CB THR A 8 1.524 -4.433 -0.142 1.00 0.00 C
ATOM 98 OG1 THR A 8 1.450 -4.052 1.238 1.00 0.00 O
ATOM 99 CG2 THR A 8 2.998 -4.389 -0.556 1.00 0.00 C
ATOM 100 H THR A 8 1.101 -1.590 -0.707 1.00 0.00 H
ATOM 101 HA THR A 8 0.553 -4.152 -2.049 1.00 0.00 H
ATOM 102 HB THR A 8 1.192 -5.496 -0.208 1.00 0.00 H
ATOM 103 HG1 THR A 8 0.585 -4.376 1.558 1.00 0.00 H
ATOM 104 HG21 THR A 8 3.107 -4.694 -1.616 1.00 0.00 H
ATOM 105 HG22 THR A 8 3.601 -5.075 0.075 1.00 0.00 H
ATOM 106 HG23 THR A 8 3.411 -3.367 -0.446 1.00 0.00 H
ATOM 107 N TRP A 9 -1.462 -4.578 -0.508 1.00 0.00 N
ATOM 108 CA TRP A 9 -2.525 -4.792 0.454 1.00 0.00 C
ATOM 109 C TRP A 9 -2.001 -4.857 1.883 1.00 0.00 C
ATOM 110 O TRP A 9 -0.888 -5.328 2.130 1.00 0.00 O
ATOM 111 CB TRP A 9 -3.350 -6.057 0.104 1.00 0.00 C
ATOM 112 CG TRP A 9 -4.143 -5.868 -1.151 1.00 0.00 C
ATOM 113 CD1 TRP A 9 -3.856 -6.312 -2.418 1.00 0.00 C
ATOM 114 CD2 TRP A 9 -5.318 -5.049 -1.263 1.00 0.00 C
ATOM 115 NE1 TRP A 9 -4.778 -5.798 -3.300 1.00 0.00 N
ATOM 116 CE2 TRP A 9 -5.671 -5.021 -2.629 1.00 0.00 C
ATOM 117 CE3 TRP A 9 -6.093 -4.351 -0.338 1.00 0.00 C
ATOM 118 CZ2 TRP A 9 -6.740 -4.269 -3.089 1.00 0.00 C
ATOM 119 CZ3 TRP A 9 -7.168 -3.590 -0.803 1.00 0.00 C
ATOM 120 CH2 TRP A 9 -7.476 -3.534 -2.159 1.00 0.00 C
ATOM 121 H TRP A 9 -1.187 -5.386 -1.019 1.00 0.00 H
ATOM 122 HA TRP A 9 -3.179 -3.929 0.412 1.00 0.00 H
ATOM 123 HB2 TRP A 9 -2.666 -6.925 -0.011 1.00 0.00 H
ATOM 124 HB3 TRP A 9 -4.055 -6.294 0.927 1.00 0.00 H
ATOM 125 HD1 TRP A 9 -3.027 -6.967 -2.668 1.00 0.00 H
ATOM 126 HE1 TRP A 9 -4.916 -6.066 -4.233 1.00 0.00 H
ATOM 127 HE3 TRP A 9 -5.853 -4.369 0.717 1.00 0.00 H
ATOM 128 HZ2 TRP A 9 -6.984 -4.220 -4.136 1.00 0.00 H
ATOM 129 HZ3 TRP A 9 -7.753 -3.012 -0.097 1.00 0.00 H
ATOM 130 HH2 TRP A 9 -8.282 -2.899 -2.504 1.00 0.00 H
ATOM 131 N GLY A 10 -2.783 -4.355 2.843 1.00 0.00 N
ATOM 132 CA GLY A 10 -2.436 -4.301 4.245 1.00 0.00 C
ATOM 133 C GLY A 10 -3.699 -4.095 5.082 1.00 0.00 C
ATOM 134 O GLY A 10 -3.551 -3.810 6.300 1.00 0.00 O
ATOM 135 OXT GLY A 10 -4.845 -4.199 4.566 1.00 0.00 O
ATOM 136 H GLY A 10 -3.656 -3.912 2.620 1.00 0.00 H
ATOM 137 HA2 GLY A 10 -1.986 -5.233 4.552 1.00 0.00 H
ATOM 138 HA3 GLY A 10 -1.800 -3.438 4.395 1.00 0.00 H
TER 139 GLY A 10
HETATM 140 O HOH B 1 5.537 2.848 -8.373 1.00 0.00 O
HETATM 141 H1 HOH B 1 5.578 2.076 -8.939 1.00 0.00 H
HETATM 142 H2 HOH B 1 4.698 3.257 -8.585 1.00 0.00 H
HETATM 143 O HOH B 2 5.119 -9.650 9.219 1.00 0.00 O
HETATM 144 H1 HOH B 2 5.020 -10.379 8.606 1.00 0.00 H
HETATM 145 H2 HOH B 2 4.405 -9.052 8.998 1.00 0.00 H
HETATM 146 O HOH B 3 -6.058 6.083 10.429 1.00 0.00 O
HETATM 147 H1 HOH B 3 -6.940 5.720 10.349 1.00 0.00 H
HETATM 148 H2 HOH B 3 -5.477 5.338 10.276 1.00 0.00 H
HETATM 149 O HOH B 4 -10.533 -0.449 -2.899 1.00 0.00 O
HETATM 150 H1 HOH B 4 -10.613 0.471 -3.149 1.00 0.00 H
HETATM 151 H2 HOH B 4 -10.545 -0.925 -3.730 1.00 0.00 H
HETATM 152 O HOH B 5 4.857 6.167 -1.839 1.00 0.00 O
HETATM 153 H1 HOH B 5 4.230 5.458 -1.698 1.00 0.00 H
HETATM 154 H2 HOH B 5 4.893 6.269 -2.790 1.00 0.00 H
HETATM 155 O HOH B 6 7.885 -1.776 -4.397 1.00 0.00 O
HETATM 156 H1 HOH B 6 7.796 -1.088 -5.056 1.00 0.00 H
HETATM 157 H2 HOH B 6 7.975 -1.306 -3.569 1.00 0.00 H
HETATM 158 O HOH B 7 5.952 8.895 -8.581 1.00 0.00 O
HETATM 159 H1 HOH B 7 5.794 9.752 -8.183 1.00 0.00 H
HETATM 160 H2 HOH B 7 6.902 8.850 -8.684 1.00 0.00 H
HETATM 161 O HOH B 8 -8.922 8.767 -7.817 1.00 0.00 O
HETATM 162 H1 HOH B 8 -7.991 8.991 -7.809 1.00 0.00 H
HETATM 163 H2 HOH B 8 -8.974 7.941 -7.337 1.00 0.00 H
HETATM 164 O HOH B 9 -0.118 2.251 -10.674 1.00 0.00 O
HETATM 165 H1 HOH B 9 -0.009 2.429 -11.608 1.00 0.00 H
HETATM 166 H2 HOH B 9 0.669 2.612 -10.267 1.00 0.00 H
HETATM 167 O HOH B 10 4.631 8.796 1.859 1.00 0.00 O
HETATM 168 H1 HOH B 10 5.343 9.077 2.433 1.00 0.00 H
HETATM 169 H2 HOH B 10 5.042 8.686 1.002 1.00 0.00 H
HETATM 170 O HOH B 11 0.775 10.971 -2.895 1.00 0.00 O
HETATM 171 H1 HOH B 11 0.907 11.806 -3.344 1.00 0.00 H
HETATM 172 H2 HOH B 11 0.524 10.362 -3.590 1.00 0.00 H
HETATM 173 O HOH B 12 -9.453 -5.591 -5.442 1.00 0.00 O
HETATM 174 H1 HOH B 12 -9.991 -5.766 -6.214 1.00 0.00 H
HETATM 175 H2 HOH B 12 -8.674 -5.154 -5.786 1.00 0.00 H
HETATM 176 O HOH B 13 -7.625 -11.557 4.412 1.00 0.00 O
HETATM 177 H1 HOH B 13 -7.176 -11.719 5.241 1.00 0.00 H
HETATM 178 H2 HOH B 13 -7.877 -12.427 4.102 1.00 0.00 H
HETATM 179 O HOH B 14 -0.215 -8.012 4.986 1.00 0.00 O
HETATM 180 H1 HOH B 14 0.375 -7.301 5.236 1.00 0.00 H
HETATM 181 H2 HOH B 14 0.056 -8.751 5.532 1.00 0.00 H
HETATM 182 O HOH B 15 1.536 -10.442 -3.799 1.00 0.00 O
HETATM 183 H1 HOH B 15 2.447 -10.338 -3.526 1.00 0.00 H
HETATM 184 H2 HOH B 15 1.493 -10.020 -4.657 1.00 0.00 H
HETATM 185 O HOH B 16 -3.760 -5.920 -8.515 1.00 0.00 O
HETATM 186 H1 HOH B 16 -3.398 -5.033 -8.517 1.00 0.00 H
HETATM 187 H2 HOH B 16 -3.358 -6.342 -7.756 1.00 0.00 H
HETATM 188 O HOH B 17 -2.693 -9.855 1.082 1.00 0.00 O
HETATM 189 H1 HOH B 17 -2.488 -9.862 0.147 1.00 0.00 H
HETATM 190 H2 HOH B 17 -2.003 -9.320 1.475 1.00 0.00 H
HETATM 191 O HOH B 18 6.678 -8.152 -7.878 1.00 0.00 O
HETATM 192 H1 HOH B 18 6.086 -8.263 -8.622 1.00 0.00 H
HETATM 193 H2 HOH B 18 6.982 -7.247 -7.947 1.00 0.00 H
HETATM 194 O HOH B 19 6.849 9.206 3.500 1.00 0.00 O
HETATM 195 H1 HOH B 19 7.332 9.528 4.261 1.00 0.00 H
HETATM 196 H2 HOH B 19 7.527 8.964 2.870 1.00 0.00 H
HETATM 197 O HOH B 20 -6.563 -7.490 0.689 1.00 0.00 O
HETATM 198 H1 HOH B 20 -6.786 -6.686 0.219 1.00 0.00 H
HETATM 199 H2 HOH B 20 -5.944 -7.941 0.115 1.00 0.00 H
HETATM 200 O HOH B 21 0.862 -6.872 10.573 1.00 0.00 O
HETATM 201 H1 HOH B 21 1.480 -7.063 11.279 1.00 0.00 H
HETATM 202 H2 HOH B 21 1.342 -7.082 9.772 1.00 0.00 H
HETATM 203 O HOH B 22 2.392 6.752 -4.198 1.00 0.00 O
HETATM 204 H1 HOH B 22 2.263 5.812 -4.323 1.00 0.00 H
HETATM 205 H2 HOH B 22 2.032 7.151 -4.990 1.00 0.00 H
HETATM 206 O HOH B 23 -6.306 1.397 -4.615 1.00 0.00 O
HETATM 207 H1 HOH B 23 -6.233 0.447 -4.519 1.00 0.00 H
HETATM 208 H2 HOH B 23 -6.945 1.656 -3.951 1.00 0.00 H
HETATM 209 O HOH B 24 -6.524 6.577 1.057 1.00 0.00 O
HETATM 210 H1 HOH B 24 -7.057 5.994 1.598 1.00 0.00 H
HETATM 211 H2 HOH B 24 -5.838 6.892 1.647 1.00 0.00 H
HETATM 212 O HOH B 25 2.146 5.045 -6.932 1.00 0.00 O
HETATM 213 H1 HOH B 25 2.321 4.580 -7.750 1.00 0.00 H
HETATM 214 H2 HOH B 25 2.584 4.523 -6.260 1.00 0.00 H
HETATM 215 O HOH B 26 -6.602 -11.097 -6.482 1.00 0.00 O
HETATM 216 H1 HOH B 26 -6.426 -12.011 -6.257 1.00 0.00 H
HETATM 217 H2 HOH B 26 -6.436 -10.614 -5.672 1.00 0.00 H
HETATM 218 O HOH B 27 -2.022 10.663 -5.937 1.00 0.00 O
HETATM 219 H1 HOH B 27 -1.845 10.139 -5.156 1.00 0.00 H
HETATM 220 H2 HOH B 27 -1.221 10.597 -6.457 1.00 0.00 H
HETATM 221 O HOH B 28 -0.632 -7.785 -5.019 1.00 0.00 O
HETATM 222 H1 HOH B 28 -0.605 -8.054 -4.101 1.00 0.00 H
HETATM 223 H2 HOH B 28 0.157 -8.165 -5.404 1.00 0.00 H
HETATM 224 O HOH B 29 -8.405 -7.943 -1.758 1.00 0.00 O
HETATM 225 H1 HOH B 29 -7.812 -8.223 -2.456 1.00 0.00 H
HETATM 226 H2 HOH B 29 -9.141 -7.537 -2.217 1.00 0.00 H
HETATM 227 O HOH B 30 -1.445 -8.169 -10.454 1.00 0.00 O
HETATM 228 H1 HOH B 30 -1.200 -7.249 -10.552 1.00 0.00 H
HETATM 229 H2 HOH B 30 -0.618 -8.646 -10.517 1.00 0.00 H
HETATM 230 O HOH B 31 -8.227 -0.672 5.665 1.00 0.00 O
HETATM 231 H1 HOH B 31 -8.691 -1.152 6.352 1.00 0.00 H
HETATM 232 H2 HOH B 31 -8.225 0.236 5.967 1.00 0.00 H
HETATM 233 O HOH B 32 0.662 -1.876 -9.602 1.00 0.00 O
HETATM 234 H1 HOH B 32 0.736 -2.785 -9.312 1.00 0.00 H
HETATM 235 H2 HOH B 32 1.546 -1.521 -9.510 1.00 0.00 H
HETATM 236 O HOH B 33 -2.358 0.465 -10.111 1.00 0.00 O
HETATM 237 H1 HOH B 33 -1.604 0.991 -10.379 1.00 0.00 H
HETATM 238 H2 HOH B 33 -2.040 -0.051 -9.371 1.00 0.00 H
HETATM 239 O HOH B 34 2.781 8.262 -1.923 1.00 0.00 O
HETATM 240 H1 HOH B 34 2.507 7.875 -2.754 1.00 0.00 H
HETATM 241 H2 HOH B 34 3.318 7.586 -1.509 1.00 0.00 H
HETATM 242 O HOH B 35 8.445 -0.056 -2.328 1.00 0.00 O
HETATM 243 H1 HOH B 35 8.027 0.798 -2.220 1.00 0.00 H
HETATM 244 H2 HOH B 35 9.383 0.131 -2.305 1.00 0.00 H
HETATM 245 O HOH B 36 -2.142 0.300 6.816 1.00 0.00 O
HETATM 246 H1 HOH B 36 -1.485 0.157 6.135 1.00 0.00 H
HETATM 247 H2 HOH B 36 -1.696 0.072 7.632 1.00 0.00 H
HETATM 248 O HOH B 37 -2.880 -3.270 -8.784 1.00 0.00 O
HETATM 249 H1 HOH B 37 -2.495 -3.274 -9.660 1.00 0.00 H
HETATM 250 H2 HOH B 37 -2.475 -2.521 -8.347 1.00 0.00 H
HETATM 251 O HOH B 38 -7.329 2.233 11.246 1.00 0.00 O
HETATM 252 H1 HOH B 38 -7.637 2.883 11.879 1.00 0.00 H
HETATM 253 H2 HOH B 38 -6.433 2.037 11.520 1.00 0.00 H
HETATM 254 O HOH B 39 -9.130 2.689 1.982 1.00 0.00 O
HETATM 255 H1 HOH B 39 -8.591 3.407 2.314 1.00 0.00 H
HETATM 256 H2 HOH B 39 -9.952 2.762 2.467 1.00 0.00 H
HETATM 257 O HOH B 40 -2.662 -9.832 -1.733 1.00 0.00 O
HETATM 258 H1 HOH B 40 -1.833 -9.442 -2.009 1.00 0.00 H
HETATM 259 H2 HOH B 40 -2.883 -10.446 -2.433 1.00 0.00 H
HETATM 260 O HOH B 41 -6.472 -6.184 8.321 1.00 0.00 O
HETATM 261 H1 HOH B 41 -6.069 -6.263 9.186 1.00 0.00 H
HETATM 262 H2 HOH B 41 -6.160 -5.342 7.988 1.00 0.00 H
HETATM 263 O HOH B 42 3.401 -3.002 9.083 1.00 0.00 O
HETATM 264 H1 HOH B 42 2.475 -3.062 8.849 1.00 0.00 H
HETATM 265 H2 HOH B 42 3.653 -3.900 9.296 1.00 0.00 H
HETATM 266 O HOH B 43 4.809 -8.333 6.013 1.00 0.00 O
HETATM 267 H1 HOH B 43 5.448 -7.722 6.380 1.00 0.00 H
HETATM 268 H2 HOH B 43 4.089 -8.335 6.643 1.00 0.00 H
HETATM 269 O HOH B 44 8.437 -3.519 6.096 1.00 0.00 O
HETATM 270 H1 HOH B 44 7.504 -3.682 6.230 1.00 0.00 H
HETATM 271 H2 HOH B 44 8.742 -3.168 6.933 1.00 0.00 H
HETATM 272 O HOH B 45 -5.105 3.529 -9.986 1.00 0.00 O
HETATM 273 H1 HOH B 45 -5.150 2.580 -9.878 1.00 0.00 H
HETATM 274 H2 HOH B 45 -4.256 3.683 -10.402 1.00 0.00 H
HETATM 275 O HOH B 46 -2.952 -7.663 -6.468 1.00 0.00 O
HETATM 276 H1 HOH B 46 -2.155 -7.714 -5.941 1.00 0.00 H
HETATM 277 H2 HOH B 46 -2.879 -8.392 -7.085 1.00 0.00 H
HETATM 278 O HOH B 47 -0.777 -5.026 9.216 1.00 0.00 O
HETATM 279 H1 HOH B 47 -0.149 -4.655 8.598 1.00 0.00 H
HETATM 280 H2 HOH B 47 -0.272 -5.669 9.714 1.00 0.00 H
HETATM 281 O HOH B 48 7.919 5.148 -4.905 1.00 0.00 O
HETATM 282 H1 HOH B 48 8.686 5.121 -5.478 1.00 0.00 H
HETATM 283 H2 HOH B 48 7.174 5.200 -5.504 1.00 0.00 H
HETATM 284 O HOH B 49 -7.810 0.856 0.369 1.00 0.00 O
HETATM 285 H1 HOH B 49 -8.253 1.392 1.028 1.00 0.00 H
HETATM 286 H2 HOH B 49 -7.675 1.448 -0.370 1.00 0.00 H
HETATM 287 O HOH B 50 -7.736 -10.987 -1.071 1.00 0.00 O
HETATM 288 H1 HOH B 50 -7.417 -10.648 -1.908 1.00 0.00 H
HETATM 289 H2 HOH B 50 -7.821 -11.930 -1.210 1.00 0.00 H
HETATM 290 O HOH B 51 -9.496 3.246 -0.710 1.00 0.00 O
HETATM 291 H1 HOH B 51 -9.511 3.071 0.231 1.00 0.00 H
HETATM 292 H2 HOH B 51 -9.773 4.158 -0.789 1.00 0.00 H
HETATM 293 O HOH B 52 -3.852 2.604 -7.264 1.00 0.00 O
HETATM 294 H1 HOH B 52 -3.752 2.717 -6.318 1.00 0.00 H
HETATM 295 H2 HOH B 52 -3.242 3.235 -7.646 1.00 0.00 H
HETATM 296 O HOH B 53 -3.530 4.597 5.301 1.00 0.00 O
HETATM 297 H1 HOH B 53 -3.742 3.734 5.656 1.00 0.00 H
HETATM 298 H2 HOH B 53 -2.634 4.509 4.976 1.00 0.00 H
HETATM 299 O HOH B 54 -4.326 -8.608 2.985 1.00 0.00 O
HETATM 300 H1 HOH B 54 -3.749 -9.019 2.341 1.00 0.00 H
HETATM 301 H2 HOH B 54 -3.743 -8.349 3.699 1.00 0.00 H
HETATM 302 O HOH B 55 -0.068 10.265 -7.904 1.00 0.00 O
HETATM 303 H1 HOH B 55 -0.236 9.647 -8.617 1.00 0.00 H
HETATM 304 H2 HOH B 55 0.836 10.547 -8.039 1.00 0.00 H
HETATM 305 O HOH B 56 -8.063 9.449 7.308 1.00 0.00 O
HETATM 306 H1 HOH B 56 -7.491 9.331 6.550 1.00 0.00 H
HETATM 307 H2 HOH B 56 -8.755 8.799 7.190 1.00 0.00 H
HETATM 308 O HOH B 57 5.676 -3.028 -5.767 1.00 0.00 O
HETATM 309 H1 HOH B 57 6.106 -2.639 -5.005 1.00 0.00 H
HETATM 310 H2 HOH B 57 6.110 -3.874 -5.882 1.00 0.00 H
HETATM 311 O HOH B 58 -6.607 2.906 -6.919 1.00 0.00 O
HETATM 312 H1 HOH B 58 -5.717 2.843 -7.266 1.00 0.00 H
HETATM 313 H2 HOH B 58 -6.615 2.309 -6.170 1.00 0.00 H
HETATM 314 O HOH B 59 3.070 -0.637 -8.770 1.00 0.00 O
HETATM 315 H1 HOH B 59 3.790 -0.575 -8.141 1.00 0.00 H
HETATM 316 H2 HOH B 59 2.399 -0.048 -8.425 1.00 0.00 H
HETATM 317 O HOH B 60 -2.867 6.758 10.544 1.00 0.00 O
HETATM 318 H1 HOH B 60 -3.063 5.822 10.498 1.00 0.00 H
HETATM 319 H2 HOH B 60 -1.948 6.823 10.283 1.00 0.00 H
HETATM 320 O HOH B 61 -3.050 7.296 -8.490 1.00 0.00 O
HETATM 321 H1 HOH B 61 -3.894 6.845 -8.519 1.00 0.00 H
HETATM 322 H2 HOH B 61 -3.265 8.189 -8.218 1.00 0.00 H
HETATM 323 O HOH B 62 1.716 -8.908 -6.133 1.00 0.00 O
HETATM 324 H1 HOH B 62 2.252 -8.328 -6.674 1.00 0.00 H
HETATM 325 H2 HOH B 62 1.078 -9.282 -6.741 1.00 0.00 H
HETATM 326 O HOH B 63 -4.472 3.706 -1.928 1.00 0.00 O
HETATM 327 H1 HOH B 63 -4.698 4.577 -1.602 1.00 0.00 H
HETATM 328 H2 HOH B 63 -4.374 3.172 -1.139 1.00 0.00 H
HETATM 329 O HOH B 64 -1.462 -3.097 -11.162 1.00 0.00 O
HETATM 330 H1 HOH B 64 -1.783 -2.862 -12.032 1.00 0.00 H
HETATM 331 H2 HOH B 64 -0.831 -2.410 -10.945 1.00 0.00 H
HETATM 332 O HOH B 65 1.441 7.910 7.320 1.00 0.00 O
HETATM 333 H1 HOH B 65 0.772 7.603 7.931 1.00 0.00 H
HETATM 334 H2 HOH B 65 1.132 7.624 6.461 1.00 0.00 H
HETATM 335 O HOH B 66 2.354 -5.799 -4.170 1.00 0.00 O
HETATM 336 H1 HOH B 66 2.932 -6.096 -4.873 1.00 0.00 H
HETATM 337 H2 HOH B 66 2.666 -6.261 -3.392 1.00 0.00 H
HETATM 338 O HOH B 67 -8.482 -11.757 -4.033 1.00 0.00 O
HETATM 339 H1 HOH B 67 -7.908 -12.519 -3.950 1.00 0.00 H
HETATM 340 H2 HOH B 67 -7.893 -11.005 -3.975 1.00 0.00 H
HETATM 341 O HOH B 68 -8.287 2.260 -2.914 1.00 0.00 O
HETATM 342 H1 HOH B 68 -8.963 2.088 -3.570 1.00 0.00 H
HETATM 343 H2 HOH B 68 -8.774 2.515 -2.130 1.00 0.00 H
HETATM 344 O HOH B 69 -5.824 0.251 7.810 1.00 0.00 O
HETATM 345 H1 HOH B 69 -5.481 1.070 7.450 1.00 0.00 H
HETATM 346 H2 HOH B 69 -5.416 -0.433 7.279 1.00 0.00 H
HETATM 347 O HOH B 70 -7.198 -10.088 2.083 1.00 0.00 O
HETATM 348 H1 HOH B 70 -7.446 -10.602 2.851 1.00 0.00 H
HETATM 349 H2 HOH B 70 -6.442 -10.549 1.718 1.00 0.00 H
HETATM 350 O HOH B 71 7.949 -10.460 2.716 1.00 0.00 O
HETATM 351 H1 HOH B 71 8.212 -11.011 3.454 1.00 0.00 H
HETATM 352 H2 HOH B 71 7.898 -9.577 3.082 1.00 0.00 H
HETATM 353 O HOH B 72 -0.405 4.742 -5.899 1.00 0.00 O
HETATM 354 H1 HOH B 72 -0.754 5.514 -5.454 1.00 0.00 H
HETATM 355 H2 HOH B 72 0.441 5.026 -6.245 1.00 0.00 H
HETATM 356 O HOH B 73 -7.610 4.233 -10.748 1.00 0.00 O
HETATM 357 H1 HOH B 73 -6.716 3.941 -10.566 1.00 0.00 H
HETATM 358 H2 HOH B 73 -7.585 5.180 -10.610 1.00 0.00 H
HETATM 359 O HOH B 74 -5.210 -9.114 -1.016 1.00 0.00 O
HETATM 360 H1 HOH B 74 -4.273 -9.231 -1.173 1.00 0.00 H
HETATM 361 H2 HOH B 74 -5.603 -9.123 -1.889 1.00 0.00 H
HETATM 362 O HOH B 75 0.275 3.001 6.307 1.00 0.00 O
HETATM 363 H1 HOH B 75 0.801 2.554 6.971 1.00 0.00 H
HETATM 364 H2 HOH B 75 0.521 2.580 5.484 1.00 0.00 H
HETATM 365 O HOH B 76 2.709 -7.439 -11.450 1.00 0.00 O
HETATM 366 H1 HOH B 76 2.792 -6.673 -10.882 1.00 0.00 H
HETATM 367 H2 HOH B 76 3.595 -7.797 -11.501 1.00 0.00 H
HETATM 368 O HOH B 77 -6.967 -0.995 -8.864 1.00 0.00 O
HETATM 369 H1 HOH B 77 -7.791 -0.537 -9.030 1.00 0.00 H
HETATM 370 H2 HOH B 77 -6.291 -0.331 -8.999 1.00 0.00 H
HETATM 371 O HOH B 78 6.990 0.128 3.839 1.00 0.00 O
HETATM 372 H1 HOH B 78 6.652 0.895 3.377 1.00 0.00 H
HETATM 373 H2 HOH B 78 6.800 0.300 4.761 1.00 0.00 H
HETATM 374 O HOH B 79 -1.376 -1.052 -7.961 1.00 0.00 O
HETATM 375 H1 HOH B 79 -1.095 -0.916 -7.056 1.00 0.00 H
HETATM 376 H2 HOH B 79 -0.577 -1.307 -8.424 1.00 0.00 H
HETATM 377 O HOH B 80 3.322 7.069 3.555 1.00 0.00 O
HETATM 378 H1 HOH B 80 3.676 6.213 3.314 1.00 0.00 H
HETATM 379 H2 HOH B 80 3.671 7.668 2.895 1.00 0.00 H
HETATM 380 O HOH B 81 -5.542 -7.204 -5.808 1.00 0.00 O
HETATM 381 H1 HOH B 81 -5.760 -7.850 -5.135 1.00 0.00 H
HETATM 382 H2 HOH B 81 -4.620 -7.367 -6.007 1.00 0.00 H
HETATM 383 O HOH B 82 8.261 3.477 -8.370 1.00 0.00 O
HETATM 384 H1 HOH B 82 8.216 4.277 -8.894 1.00 0.00 H
HETATM 385 H2 HOH B 82 7.351 3.192 -8.289 1.00 0.00 H
HETATM 386 O HOH B 83 5.378 -0.734 -7.265 1.00 0.00 O
HETATM 387 H1 HOH B 83 6.021 -0.222 -6.775 1.00 0.00 H
HETATM 388 H2 HOH B 83 5.367 -1.586 -6.829 1.00 0.00 H
HETATM 389 O HOH B 84 -5.663 6.335 -1.532 1.00 0.00 O
HETATM 390 H1 HOH B 84 -5.949 6.398 -0.620 1.00 0.00 H
HETATM 391 H2 HOH B 84 -6.375 5.874 -1.975 1.00 0.00 H
HETATM 392 O HOH B 85 -5.244 10.344 2.234 1.00 0.00 O
HETATM 393 H1 HOH B 85 -4.790 10.666 3.013 1.00 0.00 H
HETATM 394 H2 HOH B 85 -5.196 11.070 1.612 1.00 0.00 H
HETATM 395 O HOH B 86 -4.902 0.840 -9.110 1.00 0.00 O
HETATM 396 H1 HOH B 86 -4.523 1.314 -8.370 1.00 0.00 H
HETATM 397 H2 HOH B 86 -4.150 0.601 -9.652 1.00 0.00 H
HETATM 398 O HOH B 87 4.391 -5.827 -5.912 1.00 0.00 O
HETATM 399 H1 HOH B 87 5.332 -5.902 -5.753 1.00 0.00 H
HETATM 400 H2 HOH B 87 4.219 -6.439 -6.629 1.00 0.00 H
HETATM 401 O HOH B 88 4.693 -1.203 7.408 1.00 0.00 O
HETATM 402 H1 HOH B 88 4.102 -1.730 7.945 1.00 0.00 H
HETATM 403 H2 HOH B 88 4.675 -0.336 7.811 1.00 0.00 H
HETATM 404 O HOH B 89 3.062 -5.419 6.201 1.00 0.00 O
HETATM 405 H1 HOH B 89 3.885 -5.036 6.505 1.00 0.00 H
HETATM 406 H2 HOH B 89 2.921 -6.171 6.777 1.00 0.00 H
HETATM 407 O HOH B 90 -5.577 -3.265 -8.137 1.00 0.00 O
HETATM 408 H1 HOH B 90 -4.652 -3.244 -8.385 1.00 0.00 H
HETATM 409 H2 HOH B 90 -5.935 -2.444 -8.473 1.00 0.00 H
HETATM 410 O HOH B 91 -5.824 -3.660 7.544 1.00 0.00 O
HETATM 411 H1 HOH B 91 -5.505 -3.369 8.398 1.00 0.00 H
HETATM 412 H2 HOH B 91 -5.040 -3.704 6.997 1.00 0.00 H
HETATM 413 O HOH B 92 -6.975 -4.962 -6.611 1.00 0.00 O
HETATM 414 H1 HOH B 92 -6.357 -4.412 -7.092 1.00 0.00 H
HETATM 415 H2 HOH B 92 -6.445 -5.687 -6.281 1.00 0.00 H
HETATM 416 O HOH B 93 7.139 7.204 10.468 1.00 0.00 O
HETATM 417 H1 HOH B 93 6.533 7.942 10.403 1.00 0.00 H
HETATM 418 H2 HOH B 93 7.068 6.759 9.623 1.00 0.00 H
HETATM 419 O HOH B 94 6.624 0.600 6.498 1.00 0.00 O
HETATM 420 H1 HOH B 94 6.152 -0.227 6.594 1.00 0.00 H
HETATM 421 H2 HOH B 94 6.223 1.181 7.145 1.00 0.00 H
HETATM 422 O HOH B 95 4.904 1.364 8.545 1.00 0.00 O
HETATM 423 H1 HOH B 95 5.244 2.081 9.080 1.00 0.00 H
HETATM 424 H2 HOH B 95 3.953 1.432 8.629 1.00 0.00 H
HETATM 425 O HOH B 96 3.420 -7.526 -7.910 1.00 0.00 O
HETATM 426 H1 HOH B 96 3.917 -8.105 -8.488 1.00 0.00 H
HETATM 427 H2 HOH B 96 3.178 -6.784 -8.464 1.00 0.00 H
HETATM 428 O HOH B 97 -0.708 -0.378 9.161 1.00 0.00 O
HETATM 429 H1 HOH B 97 0.096 0.140 9.139 1.00 0.00 H
HETATM 430 H2 HOH B 97 -1.326 0.158 9.660 1.00 0.00 H
HETATM 431 O HOH B 98 6.489 -6.451 7.120 1.00 0.00 O
HETATM 432 H1 HOH B 98 6.639 -6.393 8.064 1.00 0.00 H
HETATM 433 H2 HOH B 98 6.275 -5.557 6.856 1.00 0.00 H
HETATM 434 O HOH B 99 -0.740 4.764 4.409 1.00 0.00 O
HETATM 435 H1 HOH B 99 -0.392 4.297 3.650 1.00 0.00 H
HETATM 436 H2 HOH B 99 -0.453 4.247 5.162 1.00 0.00 H
HETATM 437 O HOH B 100 7.196 -2.470 2.989 1.00 0.00 O
HETATM 438 H1 HOH B 100 7.019 -1.555 3.207 1.00 0.00 H
HETATM 439 H2 HOH B 100 6.804 -2.590 2.124 1.00 0.00 H
HETATM 440 O HOH B 101 -6.665 9.518 -10.509 1.00 0.00 O
HETATM 441 H1 HOH B 101 -6.402 9.647 -9.597 1.00 0.00 H
HETATM 442 H2 HOH B 101 -7.504 9.974 -10.583 1.00 0.00 H
HETATM 443 O HOH B 102 -10.343 5.429 -10.217 1.00 0.00 O
HETATM 444 H1 HOH B 102 -10.271 6.293 -10.623 1.00 0.00 H
HETATM 445 H2 HOH B 102 -9.752 4.874 -10.727 1.00 0.00 H
HETATM 446 O HOH B 103 -5.546 -6.196 11.064 1.00 0.00 O
HETATM 447 H1 HOH B 103 -5.414 -7.118 10.840 1.00 0.00 H
HETATM 448 H2 HOH B 103 -5.713 -6.200 12.007 1.00 0.00 H
HETATM 449 O HOH B 104 -9.558 0.010 -9.123 1.00 0.00 O
HETATM 450 H1 HOH B 104 -10.434 0.000 -8.736 1.00 0.00 H
HETATM 451 H2 HOH B 104 -9.298 0.931 -9.105 1.00 0.00 H
HETATM 452 O HOH B 105 7.461 -7.964 3.774 1.00 0.00 O
HETATM 453 H1 HOH B 105 7.879 -7.120 3.600 1.00 0.00 H
HETATM 454 H2 HOH B 105 6.545 -7.832 3.530 1.00 0.00 H
HETATM 455 O HOH B 106 -2.171 -2.792 10.167 1.00 0.00 O
HETATM 456 H1 HOH B 106 -1.742 -3.556 9.782 1.00 0.00 H
HETATM 457 H2 HOH B 106 -1.757 -2.043 9.739 1.00 0.00 H
HETATM 458 O HOH B 107 -9.865 -4.849 1.616 1.00 0.00 O
HETATM 459 H1 HOH B 107 -9.935 -3.972 1.992 1.00 0.00 H
HETATM 460 H2 HOH B 107 -10.170 -4.748 0.714 1.00 0.00 H
HETATM 461 O HOH B 108 -2.856 -9.508 -8.520 1.00 0.00 O
HETATM 462 H1 HOH B 108 -3.555 -9.959 -8.994 1.00 0.00 H
HETATM 463 H2 HOH B 108 -2.414 -8.983 -9.187 1.00 0.00 H
HETATM 464 O HOH B 109 -0.928 -8.979 9.784 1.00 0.00 O
HETATM 465 H1 HOH B 109 -0.443 -8.235 10.143 1.00 0.00 H
HETATM 466 H2 HOH B 109 -0.272 -9.670 9.691 1.00 0.00 H
HETATM 467 O HOH B 110 -7.999 -9.346 10.292 1.00 0.00 O
HETATM 468 H1 HOH B 110 -7.058 -9.181 10.357 1.00 0.00 H
HETATM 469 H2 HOH B 110 -8.403 -8.628 10.780 1.00 0.00 H
HETATM 470 O HOH B 111 -4.291 3.287 -4.626 1.00 0.00 O
HETATM 471 H1 HOH B 111 -4.948 2.592 -4.626 1.00 0.00 H
HETATM 472 H2 HOH B 111 -4.186 3.519 -3.703 1.00 0.00 H
HETATM 473 O HOH B 112 -0.095 -0.330 5.159 1.00 0.00 O
HETATM 474 H1 HOH B 112 0.624 -0.684 5.683 1.00 0.00 H
HETATM 475 H2 HOH B 112 0.297 0.396 4.673 1.00 0.00 H
HETATM 476 O HOH B 113 -4.986 -3.533 10.177 1.00 0.00 O
HETATM 477 H1 HOH B 113 -4.989 -4.403 10.576 1.00 0.00 H
HETATM 478 H2 HOH B 113 -4.086 -3.224 10.282 1.00 0.00 H
HETATM 479 O HOH B 114 1.025 1.147 -8.056 1.00 0.00 O
HETATM 480 H1 HOH B 114 1.583 1.835 -8.419 1.00 0.00 H
HETATM 481 H2 HOH B 114 0.305 1.068 -8.681 1.00 0.00 H
HETATM 482 O HOH B 115 -4.268 -1.205 5.953 1.00 0.00 O
HETATM 483 H1 HOH B 115 -3.525 -0.647 6.181 1.00 0.00 H
HETATM 484 H2 HOH B 115 -3.945 -2.098 6.072 1.00 0.00 H
HETATM 485 O HOH B 116 -4.695 1.855 11.630 1.00 0.00 O
HETATM 486 H1 HOH B 116 -4.436 2.569 11.047 1.00 0.00 H
HETATM 487 H2 HOH B 116 -3.910 1.313 11.708 1.00 0.00 H
HETATM 488 O HOH B 117 7.289 -2.891 -9.164 1.00 0.00 O
HETATM 489 H1 HOH B 117 7.787 -2.943 -8.348 1.00 0.00 H
HETATM 490 H2 HOH B 117 7.321 -1.965 -9.406 1.00 0.00 H
HETATM 491 O HOH B 118 -6.969 5.307 -5.534 1.00 0.00 O
HETATM 492 H1 HOH B 118 -6.100 5.707 -5.554 1.00 0.00 H
HETATM 493 H2 HOH B 118 -6.882 4.517 -6.067 1.00 0.00 H
HETATM 494 O HOH B 119 -5.552 -6.711 4.948 1.00 0.00 O
HETATM 495 H1 HOH B 119 -5.409 -5.775 4.810 1.00 0.00 H
HETATM 496 H2 HOH B 119 -4.673 -7.075 5.058 1.00 0.00 H
HETATM 497 O HOH B 120 2.544 3.931 -4.415 1.00 0.00 O
HETATM 498 H1 HOH B 120 2.008 3.160 -4.599 1.00 0.00 H
HETATM 499 H2 HOH B 120 2.788 3.839 -3.494 1.00 0.00 H
HETATM 500 O HOH B 121 4.080 -10.165 1.896 1.00 0.00 O
HETATM 501 H1 HOH B 121 4.853 -10.364 1.367 1.00 0.00 H
HETATM 502 H2 HOH B 121 4.332 -9.397 2.409 1.00 0.00 H
HETATM 503 O HOH B 122 -7.734 -0.061 9.781 1.00 0.00 O
HETATM 504 H1 HOH B 122 -7.600 0.672 10.382 1.00 0.00 H
HETATM 505 H2 HOH B 122 -7.061 0.054 9.110 1.00 0.00 H
HETATM 506 O HOH B 123 3.894 11.747 -1.937 1.00 0.00 O
HETATM 507 H1 HOH B 123 4.724 11.327 -2.160 1.00 0.00 H
HETATM 508 H2 HOH B 123 3.978 12.639 -2.275 1.00 0.00 H
HETATM 509 O HOH B 124 7.179 4.872 11.912 1.00 0.00 O
HETATM 510 H1 HOH B 124 7.450 5.080 12.806 1.00 0.00 H
HETATM 511 H2 HOH B 124 7.214 5.709 11.449 1.00 0.00 H
HETATM 512 O HOH B 125 -2.437 3.858 -10.596 1.00 0.00 O
HETATM 513 H1 HOH B 125 -1.689 3.276 -10.734 1.00 0.00 H
HETATM 514 H2 HOH B 125 -2.309 4.207 -9.714 1.00 0.00 H
HETATM 515 O HOH B 126 -9.389 -2.095 7.783 1.00 0.00 O
HETATM 516 H1 HOH B 126 -9.908 -1.339 8.058 1.00 0.00 H
HETATM 517 H2 HOH B 126 -8.869 -2.323 8.554 1.00 0.00 H
HETATM 518 O HOH B 127 1.810 8.202 -9.416 1.00 0.00 O
HETATM 519 H1 HOH B 127 0.900 8.146 -9.709 1.00 0.00 H
HETATM 520 H2 HOH B 127 2.258 7.498 -9.885 1.00 0.00 H
HETATM 521 O HOH B 128 3.175 4.362 9.161 1.00 0.00 O
HETATM 522 H1 HOH B 128 4.044 4.080 9.447 1.00 0.00 H
HETATM 523 H2 HOH B 128 2.740 3.555 8.885 1.00 0.00 H
HETATM 524 O HOH B 129 1.063 -9.309 -10.267 1.00 0.00 O
HETATM 525 H1 HOH B 129 1.725 -9.923 -9.949 1.00 0.00 H
HETATM 526 H2 HOH B 129 1.559 -8.659 -10.765 1.00 0.00 H
HETATM 527 O HOH B 130 -10.686 -6.615 7.868 1.00 0.00 O
HETATM 528 H1 HOH B 130 -11.607 -6.423 8.044 1.00 0.00 H
HETATM 529 H2 HOH B 130 -10.204 -6.032 8.455 1.00 0.00 H
HETATM 530 O HOH B 131 0.864 7.024 4.781 1.00 0.00 O
HETATM 531 H1 HOH B 131 0.427 6.179 4.673 1.00 0.00 H
HETATM 532 H2 HOH B 131 1.733 6.895 4.401 1.00 0.00 H
HETATM 533 O HOH B 132 -11.705 -6.858 -0.803 1.00 0.00 O
HETATM 534 H1 HOH B 132 -11.377 -6.844 -1.702 1.00 0.00 H
HETATM 535 H2 HOH B 132 -12.303 -6.112 -0.754 1.00 0.00 H
HETATM 536 O HOH B 133 -2.010 8.183 7.532 1.00 0.00 O
HETATM 537 H1 HOH B 133 -1.376 7.764 8.114 1.00 0.00 H
HETATM 538 H2 HOH B 133 -2.778 7.612 7.562 1.00 0.00 H
HETATM 539 O HOH B 134 -9.701 6.047 -1.331 1.00 0.00 O
HETATM 540 H1 HOH B 134 -9.329 6.860 -0.990 1.00 0.00 H
HETATM 541 H2 HOH B 134 -9.019 5.690 -1.899 1.00 0.00 H
HETATM 542 O HOH B 135 0.623 2.152 -5.514 1.00 0.00 O
HETATM 543 H1 HOH B 135 0.821 1.857 -6.403 1.00 0.00 H
HETATM 544 H2 HOH B 135 0.141 2.970 -5.634 1.00 0.00 H
HETATM 545 O HOH B 136 -9.927 -7.731 1.054 1.00 0.00 O
HETATM 546 H1 HOH B 136 -10.645 -7.567 0.443 1.00 0.00 H
HETATM 547 H2 HOH B 136 -9.840 -6.914 1.546 1.00 0.00 H
HETATM 548 O HOH B 137 -0.307 6.795 9.237 1.00 0.00 O
HETATM 549 H1 HOH B 137 -0.490 5.920 8.894 1.00 0.00 H
HETATM 550 H2 HOH B 137 0.361 6.654 9.908 1.00 0.00 H
HETATM 551 O HOH B 138 0.610 -4.462 -8.609 1.00 0.00 O
HETATM 552 H1 HOH B 138 0.083 -4.943 -9.247 1.00 0.00 H
HETATM 553 H2 HOH B 138 0.326 -4.801 -7.759 1.00 0.00 H
HETATM 554 O HOH B 139 -1.830 6.956 -4.906 1.00 0.00 O
HETATM 555 H1 HOH B 139 -2.620 6.573 -5.288 1.00 0.00 H
HETATM 556 H2 HOH B 139 -2.154 7.645 -4.326 1.00 0.00 H
HETATM 557 O HOH B 140 0.257 -5.386 -6.059 1.00 0.00 O
HETATM 558 H1 HOH B 140 0.907 -5.280 -5.364 1.00 0.00 H
HETATM 559 H2 HOH B 140 -0.271 -6.134 -5.781 1.00 0.00 H
HETATM 560 O HOH B 141 -11.715 8.495 -7.381 1.00 0.00 O
HETATM 561 H1 HOH B 141 -10.812 8.669 -7.646 1.00 0.00 H
HETATM 562 H2 HOH B 141 -11.855 7.573 -7.597 1.00 0.00 H
HETATM 563 O HOH B 142 5.053 8.938 9.711 1.00 0.00 O
HETATM 564 H1 HOH B 142 4.385 9.537 10.045 1.00 0.00 H
HETATM 565 H2 HOH B 142 4.557 8.226 9.307 1.00 0.00 H
HETATM 566 O HOH B 143 -6.033 9.274 5.485 1.00 0.00 O
HETATM 567 H1 HOH B 143 -5.294 9.794 5.168 1.00 0.00 H
HETATM 568 H2 HOH B 143 -5.709 8.373 5.485 1.00 0.00 H
HETATM 569 O HOH B 144 -6.683 9.963 -5.065 1.00 0.00 O
HETATM 570 H1 HOH B 144 -6.083 9.585 -4.422 1.00 0.00 H
HETATM 571 H2 HOH B 144 -7.541 9.611 -4.830 1.00 0.00 H
HETATM 572 O HOH B 145 -9.308 6.465 -6.342 1.00 0.00 O
HETATM 573 H1 HOH B 145 -9.737 6.601 -5.497 1.00 0.00 H
HETATM 574 H2 HOH B 145 -8.477 6.044 -6.125 1.00 0.00 H
HETATM 575 O HOH B 146 -5.353 5.757 -8.395 1.00 0.00 O
HETATM 576 H1 HOH B 146 -6.111 6.178 -8.800 1.00 0.00 H
HETATM 577 H2 HOH B 146 -5.239 4.943 -8.886 1.00 0.00 H
HETATM 578 O HOH B 147 3.837 6.895 8.273 1.00 0.00 O
HETATM 579 H1 HOH B 147 3.593 6.014 8.557 1.00 0.00 H
HETATM 580 H2 HOH B 147 3.045 7.243 7.864 1.00 0.00 H
HETATM 581 O HOH B 148 -3.542 10.001 -8.066 1.00 0.00 O
HETATM 582 H1 HOH B 148 -3.043 10.475 -8.731 1.00 0.00 H
HETATM 583 H2 HOH B 148 -3.129 10.244 -7.237 1.00 0.00 H
HETATM 584 O HOH B 149 -1.900 9.236 4.971 1.00 0.00 O
HETATM 585 H1 HOH B 149 -1.797 8.945 5.877 1.00 0.00 H
HETATM 586 H2 HOH B 149 -1.955 8.425 4.464 1.00 0.00 H
HETATM 587 O HOH B 150 -8.482 8.174 -0.048 1.00 0.00 O
HETATM 588 H1 HOH B 150 -9.036 8.404 0.698 1.00 0.00 H
HETATM 589 H2 HOH B 150 -7.745 7.701 0.337 1.00 0.00 H
HETATM 590 O HOH B 151 -8.680 2.626 -8.719 1.00 0.00 O
HETATM 591 H1 HOH B 151 -8.427 3.173 -9.462 1.00 0.00 H
HETATM 592 H2 HOH B 151 -7.956 2.713 -8.099 1.00 0.00 H
HETATM 593 O HOH B 152 -7.679 5.010 -2.888 1.00 0.00 O
HETATM 594 H1 HOH B 152 -7.471 5.206 -3.801 1.00 0.00 H
HETATM 595 H2 HOH B 152 -7.733 4.055 -2.854 1.00 0.00 H
HETATM 596 O HOH B 153 -11.486 5.578 -7.772 1.00 0.00 O
HETATM 597 H1 HOH B 153 -10.700 5.848 -7.297 1.00 0.00 H
HETATM 598 H2 HOH B 153 -11.201 5.498 -8.682 1.00 0.00 H
HETATM 599 O HOH B 154 -0.273 -8.811 -2.506 1.00 0.00 O
HETATM 600 H1 HOH B 154 0.370 -9.444 -2.826 1.00 0.00 H
HETATM 601 H2 HOH B 154 0.091 -8.497 -1.679 1.00 0.00 H
HETATM 602 O HOH B 155 -0.905 8.295 -9.907 1.00 0.00 O
HETATM 603 H1 HOH B 155 -1.565 7.869 -9.359 1.00 0.00 H
HETATM 604 H2 HOH B 155 -1.221 8.173 -10.802 1.00 0.00 H
HETATM 605 O HOH B 156 -10.943 2.866 -7.169 1.00 0.00 O
HETATM 606 H1 HOH B 156 -11.283 3.749 -7.315 1.00 0.00 H
HETATM 607 H2 HOH B 156 -10.171 2.810 -7.731 1.00 0.00 H
HETATM 608 O HOH B 157 -4.062 2.260 6.713 1.00 0.00 O
HETATM 609 H1 HOH B 157 -3.982 2.722 7.547 1.00 0.00 H
HETATM 610 H2 HOH B 157 -3.366 1.603 6.735 1.00 0.00 H
HETATM 611 O HOH B 158 -7.791 10.144 -1.843 1.00 0.00 O
HETATM 612 H1 HOH B 158 -8.044 9.548 -1.138 1.00 0.00 H
HETATM 613 H2 HOH B 158 -8.365 9.910 -2.572 1.00 0.00 H
HETATM 614 O HOH B 159 -7.761 9.833 3.364 1.00 0.00 O
HETATM 615 H1 HOH B 159 -7.056 9.959 2.729 1.00 0.00 H
HETATM 616 H2 HOH B 159 -7.330 9.454 4.129 1.00 0.00 H
HETATM 617 O HOH B 160 4.926 -8.853 -9.909 1.00 0.00 O
HETATM 618 H1 HOH B 160 5.433 -9.016 -10.705 1.00 0.00 H
HETATM 619 H2 HOH B 160 4.379 -9.632 -9.809 1.00 0.00 H
HETATM 620 O HOH B 161 -11.426 3.929 3.116 1.00 0.00 O
HETATM 621 H1 HOH B 161 -12.371 3.871 3.259 1.00 0.00 H
HETATM 622 H2 HOH B 161 -11.320 4.657 2.504 1.00 0.00 H
HETATM 623 O HOH B 162 -1.142 -8.063 2.413 1.00 0.00 O
HETATM 624 H1 HOH B 162 -0.777 -8.158 3.293 1.00 0.00 H
HETATM 625 H2 HOH B 162 -0.977 -7.148 2.183 1.00 0.00 H
HETATM 626 O HOH B 163 -8.245 6.175 5.286 1.00 0.00 O
HETATM 627 H1 HOH B 163 -8.671 6.561 6.051 1.00 0.00 H
HETATM 628 H2 HOH B 163 -7.308 6.261 5.463 1.00 0.00 H
HETATM 629 O HOH B 164 -9.172 9.221 -4.095 1.00 0.00 O
HETATM 630 H1 HOH B 164 -9.563 8.351 -4.012 1.00 0.00 H
HETATM 631 H2 HOH B 164 -9.863 9.758 -4.483 1.00 0.00 H
HETATM 632 O HOH B 165 3.154 10.031 7.105 1.00 0.00 O
HETATM 633 H1 HOH B 165 3.745 9.637 6.463 1.00 0.00 H
HETATM 634 H2 HOH B 165 2.446 9.394 7.202 1.00 0.00 H
HETATM 635 O HOH B 166 -5.431 8.850 -2.782 1.00 0.00 O
HETATM 636 H1 HOH B 166 -6.112 9.320 -2.301 1.00 0.00 H
HETATM 637 H2 HOH B 166 -5.432 7.971 -2.403 1.00 0.00 H
HETATM 638 O HOH B 167 -2.175 4.694 -7.998 1.00 0.00 O
HETATM 639 H1 HOH B 167 -2.347 5.629 -8.108 1.00 0.00 H
HETATM 640 H2 HOH B 167 -1.519 4.651 -7.302 1.00 0.00 H
HETATM 641 O HOH B 168 -0.161 -9.789 -7.808 1.00 0.00 O
HETATM 642 H1 HOH B 168 -1.100 -9.951 -7.900 1.00 0.00 H
HETATM 643 H2 HOH B 168 0.155 -9.691 -8.706 1.00 0.00 H
HETATM 644 O HOH B 169 -9.095 -10.646 -7.684 1.00 0.00 O
HETATM 645 H1 HOH B 169 -8.255 -10.929 -7.324 1.00 0.00 H
HETATM 646 H2 HOH B 169 -9.733 -10.867 -7.006 1.00 0.00 H
HETATM 647 O HOH B 170 -2.738 9.069 -3.432 1.00 0.00 O
HETATM 648 H1 HOH B 170 -3.685 9.024 -3.295 1.00 0.00 H
HETATM 649 H2 HOH B 170 -2.414 9.584 -2.693 1.00 0.00 H
HETATM 650 O HOH B 171 -4.663 7.660 2.784 1.00 0.00 O
HETATM 651 H1 HOH B 171 -3.722 7.488 2.827 1.00 0.00 H
HETATM 652 H2 HOH B 171 -4.728 8.567 2.486 1.00 0.00 H
HETATM 653 O HOH B 172 1.316 -10.097 1.714 1.00 0.00 O
HETATM 654 H1 HOH B 172 2.247 -10.298 1.809 1.00 0.00 H
HETATM 655 H2 HOH B 172 0.937 -10.309 2.568 1.00 0.00 H
HETATM 656 O HOH B 173 2.125 9.747 0.994 1.00 0.00 O
HETATM 657 H1 HOH B 173 1.460 9.571 1.661 1.00 0.00 H
HETATM 658 H2 HOH B 173 2.949 9.483 1.402 1.00 0.00 H
HETATM 659 O HOH B 174 -6.299 -12.041 6.853 1.00 0.00 O
HETATM 660 H1 HOH B 174 -6.160 -12.978 6.713 1.00 0.00 H
HETATM 661 H2 HOH B 174 -6.757 -11.990 7.692 1.00 0.00 H
HETATM 662 O HOH B 175 4.699 1.031 -10.368 1.00 0.00 O
HETATM 663 H1 HOH B 175 4.207 1.835 -10.535 1.00 0.00 H
HETATM 664 H2 HOH B 175 4.040 0.404 -10.072 1.00 0.00 H
HETATM 665 O HOH B 176 -2.152 1.596 10.344 1.00 0.00 O
HETATM 666 H1 HOH B 176 -1.410 2.115 10.654 1.00 0.00 H
HETATM 667 H2 HOH B 176 -2.749 2.237 9.958 1.00 0.00 H
HETATM 668 O HOH B 177 7.644 2.423 -4.449 1.00 0.00 O
HETATM 669 H1 HOH B 177 7.773 3.352 -4.640 1.00 0.00 H
HETATM 670 H2 HOH B 177 7.467 2.393 -3.509 1.00 0.00 H
HETATM 671 O HOH B 178 -5.379 6.565 5.198 1.00 0.00 O
HETATM 672 H1 HOH B 178 -5.255 6.878 4.303 1.00 0.00 H
HETATM 673 H2 HOH B 178 -4.819 5.791 5.262 1.00 0.00 H
HETATM 674 O HOH B 179 -5.655 -7.024 -10.069 1.00 0.00 O
HETATM 675 H1 HOH B 179 -4.981 -6.545 -9.586 1.00 0.00 H
HETATM 676 H2 HOH B 179 -5.913 -7.734 -9.480 1.00 0.00 H
HETATM 677 O HOH B 180 7.364 2.400 -1.724 1.00 0.00 O
HETATM 678 H1 HOH B 180 6.515 2.303 -1.292 1.00 0.00 H
HETATM 679 H2 HOH B 180 7.873 2.952 -1.130 1.00 0.00 H
HETATM 680 O HOH B 181 -10.655 5.953 1.391 1.00 0.00 O
HETATM 681 H1 HOH B 181 -10.636 6.868 1.669 1.00 0.00 H
HETATM 682 H2 HOH B 181 -10.604 5.991 0.435 1.00 0.00 H
HETATM 683 O HOH B 182 0.302 9.099 3.035 1.00 0.00 O
HETATM 684 H1 HOH B 182 -0.342 9.610 3.524 1.00 0.00 H
HETATM 685 H2 HOH B 182 0.632 8.461 3.668 1.00 0.00 H
HETATM 686 O HOH B 183 0.160 9.035 -4.783 1.00 0.00 O
HETATM 687 H1 HOH B 183 0.718 8.845 -5.538 1.00 0.00 H
HETATM 688 H2 HOH B 183 -0.459 8.305 -4.752 1.00 0.00 H
HETATM 689 O HOH B 184 -8.035 -6.237 -8.789 1.00 0.00 O
HETATM 690 H1 HOH B 184 -7.276 -6.337 -9.364 1.00 0.00 H
HETATM 691 H2 HOH B 184 -7.718 -5.698 -8.065 1.00 0.00 H
HETATM 692 O HOH B 185 5.373 11.348 -7.528 1.00 0.00 O
HETATM 693 H1 HOH B 185 4.815 11.944 -7.028 1.00 0.00 H
HETATM 694 H2 HOH B 185 6.116 11.887 -7.800 1.00 0.00 H
HETATM 695 O HOH B 186 -11.820 -8.699 -5.105 1.00 0.00 O
HETATM 696 H1 HOH B 186 -11.377 -9.538 -5.231 1.00 0.00 H
HETATM 697 H2 HOH B 186 -12.704 -8.934 -4.822 1.00 0.00 H
HETATM 698 O HOH B 187 3.153 11.256 9.606 1.00 0.00 O
HETATM 699 H1 HOH B 187 2.943 10.771 8.808 1.00 0.00 H
HETATM 700 H2 HOH B 187 3.939 11.755 9.385 1.00 0.00 H
HETATM 701 O HOH B 188 -6.975 3.184 8.681 1.00 0.00 O
HETATM 702 H1 HOH B 188 -7.111 2.724 9.510 1.00 0.00 H
HETATM 703 H2 HOH B 188 -6.039 3.384 8.669 1.00 0.00 H
HETATM 704 O HOH B 189 0.125 3.132 10.704 1.00 0.00 O
HETATM 705 H1 HOH B 189 0.774 2.566 10.286 1.00 0.00 H
HETATM 706 H2 HOH B 189 -0.255 3.635 9.984 1.00 0.00 H
HETATM 707 O HOH B 190 1.500 5.574 10.940 1.00 0.00 O
HETATM 708 H1 HOH B 190 1.027 4.789 11.216 1.00 0.00 H
HETATM 709 H2 HOH B 190 2.168 5.251 10.334 1.00 0.00 H
HETATM 710 O HOH B 191 -7.370 6.892 -10.040 1.00 0.00 O
HETATM 711 H1 HOH B 191 -8.290 7.134 -10.153 1.00 0.00 H
HETATM 712 H2 HOH B 191 -6.882 7.670 -10.310 1.00 0.00 H
HETATM 713 O HOH B 192 -1.951 7.067 3.221 1.00 0.00 O
HETATM 714 H1 HOH B 192 -1.679 6.235 3.610 1.00 0.00 H
HETATM 715 H2 HOH B 192 -1.176 7.376 2.752 1.00 0.00 H
HETATM 716 O HOH B 193 -3.323 -8.604 8.504 1.00 0.00 O
HETATM 717 H1 HOH B 193 -3.176 -7.713 8.187 1.00 0.00 H
HETATM 718 H2 HOH B 193 -2.499 -8.849 8.923 1.00 0.00 H
HETATM 719 O HOH B 194 -6.233 9.601 -7.747 1.00 0.00 O
HETATM 720 H1 HOH B 194 -5.294 9.725 -7.885 1.00 0.00 H
HETATM 721 H2 HOH B 194 -6.353 9.707 -6.803 1.00 0.00 H
HETATM 722 O HOH B 195 -9.264 10.478 -9.943 1.00 0.00 O
HETATM 723 H1 HOH B 195 -9.252 9.955 -9.142 1.00 0.00 H
HETATM 724 H2 HOH B 195 -9.478 11.364 -9.649 1.00 0.00 H
HETATM 725 O HOH B 196 -8.919 7.819 10.226 1.00 0.00 O
HETATM 726 H1 HOH B 196 -8.728 6.883 10.161 1.00 0.00 H
HETATM 727 H2 HOH B 196 -8.062 8.243 10.183 1.00 0.00 H
HETATM 728 O HOH B 197 1.290 -10.613 9.419 1.00 0.00 O
HETATM 729 H1 HOH B 197 1.847 -11.353 9.660 1.00 0.00 H
HETATM 730 H2 HOH B 197 1.903 -9.898 9.248 1.00 0.00 H
HETATM 731 O HOH B 198 -4.385 6.769 7.858 1.00 0.00 O
HETATM 732 H1 HOH B 198 -4.786 6.655 6.996 1.00 0.00 H
HETATM 733 H2 HOH B 198 -4.253 5.878 8.181 1.00 0.00 H
HETATM 734 O HOH B 199 6.459 5.856 8.146 1.00 0.00 O
HETATM 735 H1 HOH B 199 6.898 5.773 7.300 1.00 0.00 H
HETATM 736 H2 HOH B 199 5.634 6.298 7.946 1.00 0.00 H
HETATM 737 O HOH B 200 0.807 -9.819 6.712 1.00 0.00 O
HETATM 738 H1 HOH B 200 0.653 -10.450 7.415 1.00 0.00 H
HETATM 739 H2 HOH B 200 1.427 -9.191 7.083 1.00 0.00 H
HETATM 740 O HOH B 201 -3.443 9.753 9.312 1.00 0.00 O
HETATM 741 H1 HOH B 201 -2.834 9.437 8.645 1.00 0.00 H
HETATM 742 H2 HOH B 201 -3.148 10.643 9.505 1.00 0.00 H
HETATM 743 O HOH B 202 4.396 -3.131 -9.147 1.00 0.00 O
HETATM 744 H1 HOH B 202 5.350 -3.080 -9.208 1.00 0.00 H
HETATM 745 H2 HOH B 202 4.097 -2.236 -9.306 1.00 0.00 H
HETATM 746 O HOH B 203 1.669 7.685 -6.699 1.00 0.00 O
HETATM 747 H1 HOH B 203 1.707 8.128 -7.547 1.00 0.00 H
HETATM 748 H2 HOH B 203 1.878 6.772 -6.895 1.00 0.00 H
HETATM 749 O HOH B 204 -3.955 -8.917 -11.276 1.00 0.00 O
HETATM 750 H1 HOH B 204 -3.036 -8.670 -11.171 1.00 0.00 H
HETATM 751 H2 HOH B 204 -4.444 -8.193 -10.885 1.00 0.00 H
HETATM 752 O HOH B 205 -7.629 -11.951 9.309 1.00 0.00 O
HETATM 753 H1 HOH B 205 -7.720 -11.098 9.733 1.00 0.00 H
HETATM 754 H2 HOH B 205 -8.528 -12.252 9.180 1.00 0.00 H
HETATM 755 O HOH B 206 5.733 -5.206 2.308 1.00 0.00 O
HETATM 756 H1 HOH B 206 5.768 -4.440 1.735 1.00 0.00 H
HETATM 757 H2 HOH B 206 4.855 -5.181 2.688 1.00 0.00 H
HETATM 758 O HOH B 207 10.482 -3.139 1.984 1.00 0.00 O
HETATM 759 H1 HOH B 207 10.465 -2.226 1.696 1.00 0.00 H
HETATM 760 H2 HOH B 207 10.669 -3.638 1.189 1.00 0.00 H
HETATM 761 O HOH B 208 10.945 -4.299 -0.635 1.00 0.00 O
HETATM 762 H1 HOH B 208 10.444 -3.974 -1.383 1.00 0.00 H
HETATM 763 H2 HOH B 208 11.846 -4.028 -0.813 1.00 0.00 H
HETATM 764 O HOH B 209 -8.837 -6.244 5.814 1.00 0.00 O
HETATM 765 H1 HOH B 209 -8.632 -5.310 5.864 1.00 0.00 H
HETATM 766 H2 HOH B 209 -9.594 -6.355 6.390 1.00 0.00 H
HETATM 767 O HOH B 210 7.012 -0.173 -9.452 1.00 0.00 O
HETATM 768 H1 HOH B 210 6.468 0.257 -10.112 1.00 0.00 H
HETATM 769 H2 HOH B 210 6.430 -0.286 -8.700 1.00 0.00 H
HETATM 770 O HOH B 211 6.061 -7.294 0.554 1.00 0.00 O
HETATM 771 H1 HOH B 211 6.367 -6.796 -0.204 1.00 0.00 H
HETATM 772 H2 HOH B 211 6.053 -6.660 1.271 1.00 0.00 H
HETATM 773 O HOH B 212 2.973 -5.428 -9.628 1.00 0.00 O
HETATM 774 H1 HOH B 212 2.135 -5.052 -9.358 1.00 0.00 H
HETATM 775 H2 HOH B 212 3.585 -4.691 -9.607 1.00 0.00 H
HETATM 776 O HOH B 213 -10.006 8.543 2.200 1.00 0.00 O
HETATM 777 H1 HOH B 213 -10.853 8.661 2.630 1.00 0.00 H
HETATM 778 H2 HOH B 213 -9.393 9.046 2.736 1.00 0.00 H
HETATM 779 O HOH B 214 1.326 -1.268 7.383 1.00 0.00 O
HETATM 780 H1 HOH B 214 0.524 -1.174 7.897 1.00 0.00 H
HETATM 781 H2 HOH B 214 1.829 -0.477 7.577 1.00 0.00 H
HETATM 782 O HOH B 215 6.249 10.467 -2.549 1.00 0.00 O
HETATM 783 H1 HOH B 215 7.018 11.024 -2.424 1.00 0.00 H
HETATM 784 H2 HOH B 215 6.484 9.893 -3.278 1.00 0.00 H
HETATM 785 O HOH B 216 2.693 -3.386 -6.945 1.00 0.00 O
HETATM 786 H1 HOH B 216 3.328 -3.318 -7.658 1.00 0.00 H
HETATM 787 H2 HOH B 216 1.879 -3.650 -7.373 1.00 0.00 H
HETATM 788 O HOH B 217 -5.504 -9.333 6.925 1.00 0.00 O
HETATM 789 H1 HOH B 217 -4.686 -9.222 7.408 1.00 0.00 H
HETATM 790 H2 HOH B 217 -5.645 -10.280 6.905 1.00 0.00 H
HETATM 791 O HOH B 218 -2.791 -6.036 7.559 1.00 0.00 O
HETATM 792 H1 HOH B 218 -3.096 -5.243 7.118 1.00 0.00 H
HETATM 793 H2 HOH B 218 -2.114 -5.729 8.163 1.00 0.00 H
HETATM 794 O HOH B 219 7.816 5.305 5.794 1.00 0.00 O
HETATM 795 H1 HOH B 219 7.446 5.043 4.951 1.00 0.00 H
HETATM 796 H2 HOH B 219 8.265 4.522 6.113 1.00 0.00 H
HETATM 797 O HOH B 220 -10.144 -8.107 -10.131 1.00 0.00 O
HETATM 798 H1 HOH B 220 -10.366 -7.182 -10.237 1.00 0.00 H
HETATM 799 H2 HOH B 220 -9.974 -8.417 -11.020 1.00 0.00 H
HETATM 800 O HOH B 221 7.659 0.309 -6.133 1.00 0.00 O
HETATM 801 H1 HOH B 221 7.622 1.072 -5.557 1.00 0.00 H
HETATM 802 H2 HOH B 221 8.326 0.530 -6.783 1.00 0.00 H
HETATM 803 O HOH B 222 -10.202 1.683 -4.763 1.00 0.00 O
HETATM 804 H1 HOH B 222 -10.519 2.234 -5.478 1.00 0.00 H
HETATM 805 H2 HOH B 222 -10.211 0.795 -5.122 1.00 0.00 H
HETATM 806 O HOH B 223 7.735 5.899 -9.517 1.00 0.00 O
HETATM 807 H1 HOH B 223 6.797 6.028 -9.379 1.00 0.00 H
HETATM 808 H2 HOH B 223 8.128 6.745 -9.302 1.00 0.00 H
HETATM 809 O HOH B 224 7.445 -10.136 -2.138 1.00 0.00 O
HETATM 810 H1 HOH B 224 6.986 -10.098 -1.299 1.00 0.00 H
HETATM 811 H2 HOH B 224 7.979 -10.929 -2.084 1.00 0.00 H
HETATM 812 O HOH B 225 8.848 -5.674 0.461 1.00 0.00 O
HETATM 813 H1 HOH B 225 9.636 -5.270 0.098 1.00 0.00 H
HETATM 814 H2 HOH B 225 8.214 -5.649 -0.256 1.00 0.00 H
HETATM 815 O HOH B 226 11.468 8.518 3.250 1.00 0.00 O
HETATM 816 H1 HOH B 226 11.097 8.061 4.005 1.00 0.00 H
HETATM 817 H2 HOH B 226 10.709 8.766 2.723 1.00 0.00 H
HETATM 818 O HOH B 227 -9.650 -1.123 -0.407 1.00 0.00 O
HETATM 819 H1 HOH B 227 -8.992 -0.459 -0.200 1.00 0.00 H
HETATM 820 H2 HOH B 227 -10.019 -0.842 -1.245 1.00 0.00 H
HETATM 821 O HOH B 228 8.899 11.557 -1.548 1.00 0.00 O
HETATM 822 H1 HOH B 228 9.362 12.060 -0.878 1.00 0.00 H
HETATM 823 H2 HOH B 228 8.735 10.707 -1.140 1.00 0.00 H
HETATM 824 O HOH B 229 -10.510 -6.963 -3.318 1.00 0.00 O
HETATM 825 H1 HOH B 229 -10.986 -7.583 -3.870 1.00 0.00 H
HETATM 826 H2 HOH B 229 -10.185 -6.300 -3.928 1.00 0.00 H
HETATM 827 O HOH B 230 -5.037 -11.262 0.853 1.00 0.00 O
HETATM 828 H1 HOH B 230 -4.177 -10.891 1.051 1.00 0.00 H
HETATM 829 H2 HOH B 230 -5.309 -10.821 0.049 1.00 0.00 H
HETATM 830 O HOH B 231 -0.444 -5.648 -10.970 1.00 0.00 O
HETATM 831 H1 HOH B 231 -0.880 -4.808 -11.114 1.00 0.00 H
HETATM 832 H2 HOH B 231 -0.050 -5.861 -11.816 1.00 0.00 H
HETATM 833 O HOH B 232 -2.947 -7.634 5.268 1.00 0.00 O
HETATM 834 H1 HOH B 232 -2.933 -7.138 6.087 1.00 0.00 H
HETATM 835 H2 HOH B 232 -2.028 -7.837 5.095 1.00 0.00 H
HETATM 836 O HOH B 233 6.487 -10.005 0.460 1.00 0.00 O
HETATM 837 H1 HOH B 233 7.069 -10.259 1.176 1.00 0.00 H
HETATM 838 H2 HOH B 233 6.444 -9.051 0.511 1.00 0.00 H
HETATM 839 O HOH B 234 -8.282 5.265 2.674 1.00 0.00 O
HETATM 840 H1 HOH B 234 -9.140 5.520 2.336 1.00 0.00 H
HETATM 841 H2 HOH B 234 -8.272 5.591 3.574 1.00 0.00 H
HETATM 842 O HOH B 235 -9.174 -7.036 11.357 1.00 0.00 O
HETATM 843 H1 HOH B 235 -9.074 -6.469 10.593 1.00 0.00 H
HETATM 844 H2 HOH B 235 -9.397 -6.438 12.071 1.00 0.00 H
HETATM 845 O HOH B 236 7.432 -0.781 0.137 1.00 0.00 O
HETATM 846 H1 HOH B 236 7.422 0.096 0.519 1.00 0.00 H
HETATM 847 H2 HOH B 236 7.618 -0.637 -0.791 1.00 0.00 H
HETATM 848 O HOH B 237 -10.405 -3.760 -0.923 1.00 0.00 O
HETATM 849 H1 HOH B 237 -9.683 -4.103 -1.450 1.00 0.00 H
HETATM 850 H2 HOH B 237 -10.171 -2.846 -0.763 1.00 0.00 H
HETATM 851 O HOH B 238 -8.053 -3.693 6.021 1.00 0.00 O
HETATM 852 H1 HOH B 238 -7.233 -3.674 6.513 1.00 0.00 H
HETATM 853 H2 HOH B 238 -8.653 -3.151 6.533 1.00 0.00 H
HETATM 854 O HOH B 239 -6.520 -8.731 -8.017 1.00 0.00 O
HETATM 855 H1 HOH B 239 -6.237 -8.182 -7.286 1.00 0.00 H
HETATM 856 H2 HOH B 239 -6.441 -9.627 -7.689 1.00 0.00 H
HETATM 857 O HOH B 240 7.719 -7.860 -3.613 1.00 0.00 O
HETATM 858 H1 HOH B 240 7.730 -8.670 -3.103 1.00 0.00 H
HETATM 859 H2 HOH B 240 7.534 -7.175 -2.970 1.00 0.00 H
HETATM 860 O HOH B 241 9.201 -3.637 -2.654 1.00 0.00 O
HETATM 861 H1 HOH B 241 8.459 -4.189 -2.406 1.00 0.00 H
HETATM 862 H2 HOH B 241 8.849 -3.046 -3.320 1.00 0.00 H
HETATM 863 O HOH B 242 6.979 -5.468 -4.992 1.00 0.00 O
HETATM 864 H1 HOH B 242 6.833 -5.250 -4.072 1.00 0.00 H
HETATM 865 H2 HOH B 242 7.487 -6.279 -4.969 1.00 0.00 H
HETATM 866 O HOH B 243 -8.601 5.144 9.718 1.00 0.00 O
HETATM 867 H1 HOH B 243 -9.509 5.056 9.425 1.00 0.00 H
HETATM 868 H2 HOH B 243 -8.133 4.445 9.261 1.00 0.00 H
HETATM 869 O HOH B 244 0.717 -8.056 -0.108 1.00 0.00 O
HETATM 870 H1 HOH B 244 1.649 -7.842 -0.069 1.00 0.00 H
HETATM 871 H2 HOH B 244 0.588 -8.693 0.595 1.00 0.00 H
HETATM 872 O HOH B 245 -8.048 -6.169 3.140 1.00 0.00 O
HETATM 873 H1 HOH B 245 -8.383 -6.101 4.035 1.00 0.00 H
HETATM 874 H2 HOH B 245 -8.635 -5.619 2.622 1.00 0.00 H
HETATM 875 O HOH B 246 -10.609 6.863 -3.955 1.00 0.00 O
HETATM 876 H1 HOH B 246 -10.633 6.476 -3.080 1.00 0.00 H
HETATM 877 H2 HOH B 246 -11.521 6.858 -4.245 1.00 0.00 H
HETATM 878 O HOH B 247 -0.950 4.310 8.435 1.00 0.00 O
HETATM 879 H1 HOH B 247 -0.619 3.820 7.682 1.00 0.00 H
HETATM 880 H2 HOH B 247 -1.884 4.104 8.464 1.00 0.00 H
HETATM 881 O HOH B 248 8.333 -5.373 3.102 1.00 0.00 O
HETATM 882 H1 HOH B 248 7.400 -5.206 2.968 1.00 0.00 H
HETATM 883 H2 HOH B 248 8.673 -5.548 2.225 1.00 0.00 H
HETATM 884 O HOH B 249 -9.199 -2.646 -10.176 1.00 0.00 O
HETATM 885 H1 HOH B 249 -9.560 -1.798 -9.917 1.00 0.00 H
HETATM 886 H2 HOH B 249 -8.250 -2.521 -10.153 1.00 0.00 H
HETATM 887 O HOH B 250 2.936 6.103 -10.728 1.00 0.00 O
HETATM 888 H1 HOH B 250 2.865 5.218 -10.372 1.00 0.00 H
HETATM 889 H2 HOH B 250 2.551 6.042 -11.602 1.00 0.00 H
HETATM 890 O HOH B 251 8.440 2.588 5.465 1.00 0.00 O
HETATM 891 H1 HOH B 251 8.012 2.921 4.676 1.00 0.00 H
HETATM 892 H2 HOH B 251 7.862 1.891 5.776 1.00 0.00 H
HETATM 893 O HOH B 252 8.223 -11.360 5.438 1.00 0.00 O
HETATM 894 H1 HOH B 252 7.273 -11.281 5.346 1.00 0.00 H
HETATM 895 H2 HOH B 252 8.476 -10.608 5.972 1.00 0.00 H
HETATM 896 O HOH B 253 -4.198 5.784 -5.821 1.00 0.00 O
HETATM 897 H1 HOH B 253 -4.144 4.893 -5.475 1.00 0.00 H
HETATM 898 H2 HOH B 253 -4.452 5.671 -6.737 1.00 0.00 H
HETATM 899 O HOH B 254 -11.966 0.343 -7.707 1.00 0.00 O
HETATM 900 H1 HOH B 254 -11.735 1.241 -7.471 1.00 0.00 H
HETATM 901 H2 HOH B 254 -12.891 0.389 -7.950 1.00 0.00 H
HETATM 902 O HOH B 255 8.668 -3.183 -6.763 1.00 0.00 O
HETATM 903 H1 HOH B 255 9.618 -3.079 -6.709 1.00 0.00 H
HETATM 904 H2 HOH B 255 8.340 -2.837 -5.933 1.00 0.00 H
HETATM 905 O HOH B 256 3.958 -10.525 -6.497 1.00 0.00 O
HETATM 906 H1 HOH B 256 3.164 -10.091 -6.185 1.00 0.00 H
HETATM 907 H2 HOH B 256 4.673 -10.046 -6.079 1.00 0.00 H
HETATM 908 O HOH B 257 6.166 -3.203 0.485 1.00 0.00 O
HETATM 909 H1 HOH B 257 6.487 -2.350 0.192 1.00 0.00 H
HETATM 910 H2 HOH B 257 6.337 -3.790 -0.251 1.00 0.00 H
HETATM 911 O HOH B 258 8.934 5.793 2.467 1.00 0.00 O
HETATM 912 H1 HOH B 258 9.260 6.229 3.254 1.00 0.00 H
HETATM 913 H2 HOH B 258 8.308 5.146 2.792 1.00 0.00 H
HETATM 914 O HOH B 259 -10.407 -0.906 -5.687 1.00 0.00 O
HETATM 915 H1 HOH B 259 -10.970 -0.727 -6.440 1.00 0.00 H
HETATM 916 H2 HOH B 259 -9.701 -1.448 -6.038 1.00 0.00 H
HETATM 917 O HOH B 260 4.872 -3.201 -3.050 1.00 0.00 O
HETATM 918 H1 HOH B 260 5.414 -3.842 -2.590 1.00 0.00 H
HETATM 919 H2 HOH B 260 4.831 -2.451 -2.456 1.00 0.00 H
HETATM 920 O HOH B 261 3.451 -7.993 0.171 1.00 0.00 O
HETATM 921 H1 HOH B 261 4.326 -7.690 0.413 1.00 0.00 H
HETATM 922 H2 HOH B 261 3.357 -8.835 0.617 1.00 0.00 H
HETATM 923 O HOH B 262 7.368 -5.512 -8.031 1.00 0.00 O
HETATM 924 H1 HOH B 262 7.764 -5.043 -7.297 1.00 0.00 H
HETATM 925 H2 HOH B 262 7.206 -4.836 -8.689 1.00 0.00 H
HETATM 926 O HOH B 263 8.088 -8.614 6.411 1.00 0.00 O
HETATM 927 H1 HOH B 263 8.037 -8.551 5.457 1.00 0.00 H
HETATM 928 H2 HOH B 263 7.631 -7.835 6.728 1.00 0.00 H
HETATM 929 O HOH B 264 9.327 0.909 -8.297 1.00 0.00 O
HETATM 930 H1 HOH B 264 9.137 1.843 -8.385 1.00 0.00 H
HETATM 931 H2 HOH B 264 8.693 0.480 -8.871 1.00 0.00 H
HETATM 932 O HOH B 265 -7.708 -2.780 9.975 1.00 0.00 O
HETATM 933 H1 HOH B 265 -7.737 -1.830 10.092 1.00 0.00 H
HETATM 934 H2 HOH B 265 -6.793 -3.013 10.131 1.00 0.00 H
HETATM 935 O HOH B 266 -8.861 -5.204 9.338 1.00 0.00 O
HETATM 936 H1 HOH B 266 -8.632 -4.327 9.645 1.00 0.00 H
HETATM 937 H2 HOH B 266 -8.065 -5.527 8.917 1.00 0.00 H
HETATM 938 O HOH B 267 5.779 5.044 -6.672 1.00 0.00 O
HETATM 939 H1 HOH B 267 5.734 4.148 -7.006 1.00 0.00 H
HETATM 940 H2 HOH B 267 5.530 5.591 -7.417 1.00 0.00 H
HETATM 941 O HOH B 268 6.938 -3.670 12.173 1.00 0.00 O
HETATM 942 H1 HOH B 268 7.763 -4.021 11.838 1.00 0.00 H
HETATM 943 H2 HOH B 268 7.118 -3.468 13.091 1.00 0.00 H
HETATM 944 O HOH B 269 -10.966 -7.202 -7.276 1.00 0.00 O
HETATM 945 H1 HOH B 269 -11.753 -7.087 -7.809 1.00 0.00 H
HETATM 946 H2 HOH B 269 -11.266 -7.681 -6.504 1.00 0.00 H
HETATM 947 O HOH B 270 4.335 -5.503 9.507 1.00 0.00 O
HETATM 948 H1 HOH B 270 3.893 -6.308 9.238 1.00 0.00 H
HETATM 949 H2 HOH B 270 5.214 -5.784 9.761 1.00 0.00 H
HETATM 950 O HOH B 271 7.041 -6.220 9.796 1.00 0.00 O
HETATM 951 H1 HOH B 271 7.422 -7.098 9.825 1.00 0.00 H
HETATM 952 H2 HOH B 271 7.723 -5.651 10.154 1.00 0.00 H
HETATM 953 O HOH B 272 6.136 -2.892 9.677 1.00 0.00 O
HETATM 954 H1 HOH B 272 6.291 -3.171 10.579 1.00 0.00 H
HETATM 955 H2 HOH B 272 5.200 -2.693 9.645 1.00 0.00 H
HETATM 956 O HOH B 273 9.873 -0.480 1.384 1.00 0.00 O
HETATM 957 H1 HOH B 273 9.117 -0.877 0.951 1.00 0.00 H
HETATM 958 H2 HOH B 273 9.664 0.453 1.425 1.00 0.00 H
HETATM 959 O HOH B 274 9.119 -4.448 10.559 1.00 0.00 O
HETATM 960 H1 HOH B 274 8.994 -3.783 9.881 1.00 0.00 H
HETATM 961 H2 HOH B 274 10.056 -4.421 10.751 1.00 0.00 H
HETATM 962 O HOH B 275 -9.976 -2.151 2.138 1.00 0.00 O
HETATM 963 H1 HOH B 275 -10.604 -1.635 2.645 1.00 0.00 H
HETATM 964 H2 HOH B 275 -9.965 -1.736 1.276 1.00 0.00 H
HETATM 965 O HOH B 276 8.150 1.739 1.211 1.00 0.00 O
HETATM 966 H1 HOH B 276 8.408 2.593 0.863 1.00 0.00 H
HETATM 967 H2 HOH B 276 7.427 1.932 1.808 1.00 0.00 H
HETATM 968 O HOH B 277 -9.593 3.729 5.206 1.00 0.00 O
HETATM 969 H1 HOH B 277 -9.203 4.603 5.222 1.00 0.00 H
HETATM 970 H2 HOH B 277 -10.309 3.797 4.575 1.00 0.00 H
HETATM 971 O HOH B 278 -8.512 1.822 6.781 1.00 0.00 O
HETATM 972 H1 HOH B 278 -7.905 2.312 7.335 1.00 0.00 H
HETATM 973 H2 HOH B 278 -8.904 2.483 6.210 1.00 0.00 H
HETATM 974 O HOH B 279 5.784 -3.767 7.009 1.00 0.00 O
HETATM 975 H1 HOH B 279 5.380 -2.935 6.761 1.00 0.00 H
HETATM 976 H2 HOH B 279 5.889 -3.708 7.959 1.00 0.00 H
HETATM 977 O HOH B 280 4.606 -7.911 3.352 1.00 0.00 O
HETATM 978 H1 HOH B 280 4.586 -8.036 4.301 1.00 0.00 H
HETATM 979 H2 HOH B 280 4.104 -7.109 3.205 1.00 0.00 H
HETATM 980 O HOH B 281 -5.310 -8.857 10.379 1.00 0.00 O
HETATM 981 H1 HOH B 281 -4.652 -8.861 9.683 1.00 0.00 H
HETATM 982 H2 HOH B 281 -4.827 -9.107 11.166 1.00 0.00 H
HETATM 983 O HOH B 282 -11.974 2.557 7.978 1.00 0.00 O
HETATM 984 H1 HOH B 282 -12.641 2.223 7.377 1.00 0.00 H
HETATM 985 H2 HOH B 282 -11.480 1.781 8.243 1.00 0.00 H
HETATM 986 O HOH B 283 -10.150 0.488 8.504 1.00 0.00 O
HETATM 987 H1 HOH B 283 -9.503 0.338 9.193 1.00 0.00 H
HETATM 988 H2 HOH B 283 -9.672 0.962 7.824 1.00 0.00 H
HETATM 989 O HOH B 284 -8.276 -2.321 -6.710 1.00 0.00 O
HETATM 990 H1 HOH B 284 -7.823 -1.859 -7.416 1.00 0.00 H
HETATM 991 H2 HOH B 284 -7.806 -3.150 -6.625 1.00 0.00 H
HETATM 992 O HOH B 285 1.088 -3.975 7.540 1.00 0.00 O
HETATM 993 H1 HOH B 285 1.152 -3.061 7.266 1.00 0.00 H
HETATM 994 H2 HOH B 285 1.699 -4.441 6.969 1.00 0.00 H
HETATM 995 O HOH B 286 5.786 3.716 9.792 1.00 0.00 O
HETATM 996 H1 HOH B 286 6.215 3.895 10.629 1.00 0.00 H
HETATM 997 H2 HOH B 286 6.138 4.377 9.196 1.00 0.00 H
HETATM 998 O HOH B 287 -7.917 -8.854 4.708 1.00 0.00 O
HETATM 999 H1 HOH B 287 -7.893 -9.811 4.708 1.00 0.00 H
HETATM 1000 H2 HOH B 287 -8.830 -8.638 4.897 1.00 0.00 H
HETATM 1001 O HOH B 288 -8.540 -8.191 -5.837 1.00 0.00 O
HETATM 1002 H1 HOH B 288 -7.985 -8.613 -5.181 1.00 0.00 H
HETATM 1003 H2 HOH B 288 -8.799 -7.362 -5.435 1.00 0.00 H
HETATM 1004 O HOH B 289 8.621 -2.427 8.685 1.00 0.00 O
HETATM 1005 H1 HOH B 289 8.781 -1.485 8.620 1.00 0.00 H
HETATM 1006 H2 HOH B 289 7.716 -2.496 8.987 1.00 0.00 H
HETATM 1007 O HOH B 290 10.009 4.920 -6.732 1.00 0.00 O
HETATM 1008 H1 HOH B 290 9.484 4.350 -7.293 1.00 0.00 H
HETATM 1009 H2 HOH B 290 10.806 5.085 -7.236 1.00 0.00 H
HETATM 1010 O HOH B 291 5.565 -10.786 5.014 1.00 0.00 O
HETATM 1011 H1 HOH B 291 5.184 -10.855 4.139 1.00 0.00 H
HETATM 1012 H2 HOH B 291 5.326 -9.908 5.312 1.00 0.00 H
HETATM 1013 O HOH B 292 4.153 -9.761 -3.250 1.00 0.00 O
HETATM 1014 H1 HOH B 292 4.850 -9.717 -3.904 1.00 0.00 H
HETATM 1015 H2 HOH B 292 4.087 -8.868 -2.909 1.00 0.00 H
HETATM 1016 O HOH B 293 4.009 -7.119 -2.362 1.00 0.00 O
HETATM 1017 H1 HOH B 293 4.815 -6.613 -2.259 1.00 0.00 H
HETATM 1018 H2 HOH B 293 3.766 -7.368 -1.471 1.00 0.00 H
HETATM 1019 O HOH B 294 4.694 -11.685 7.467 1.00 0.00 O
HETATM 1020 H1 HOH B 294 4.154 -12.452 7.277 1.00 0.00 H
HETATM 1021 H2 HOH B 294 5.092 -11.458 6.626 1.00 0.00 H
HETATM 1022 O HOH B 295 5.923 -8.999 -5.362 1.00 0.00 O
HETATM 1023 H1 HOH B 295 6.576 -8.646 -4.758 1.00 0.00 H
HETATM 1024 H2 HOH B 295 6.218 -8.714 -6.227 1.00 0.00 H
HETATM 1025 O HOH B 296 9.582 -1.016 4.095 1.00 0.00 O
HETATM 1026 H1 HOH B 296 9.899 -0.708 3.246 1.00 0.00 H
HETATM 1027 H2 HOH B 296 8.793 -0.500 4.258 1.00 0.00 H
HETATM 1028 O HOH B 297 -9.618 7.166 7.538 1.00 0.00 O
HETATM 1029 H1 HOH B 297 -9.526 7.513 8.426 1.00 0.00 H
HETATM 1030 H2 HOH B 297 -10.231 6.436 7.628 1.00 0.00 H
HETATM 1031 O HOH B 298 5.101 6.592 -4.522 1.00 0.00 O
HETATM 1032 H1 HOH B 298 4.164 6.778 -4.571 1.00 0.00 H
HETATM 1033 H2 HOH B 298 5.273 6.023 -5.273 1.00 0.00 H
HETATM 1034 O HOH B 299 9.128 8.981 -5.998 1.00 0.00 O
HETATM 1035 H1 HOH B 299 8.264 8.831 -5.616 1.00 0.00 H
HETATM 1036 H2 HOH B 299 9.530 9.640 -5.432 1.00 0.00 H
HETATM 1037 O HOH B 300 9.008 8.522 1.903 1.00 0.00 O
HETATM 1038 H1 HOH B 300 8.915 8.738 0.975 1.00 0.00 H
HETATM 1039 H2 HOH B 300 8.980 7.566 1.931 1.00 0.00 H
HETATM 1040 O HOH B 301 10.166 10.113 -3.664 1.00 0.00 O
HETATM 1041 H1 HOH B 301 9.969 9.280 -3.234 1.00 0.00 H
HETATM 1042 H2 HOH B 301 9.826 10.778 -3.065 1.00 0.00 H
HETATM 1043 O HOH B 302 -6.626 9.353 9.611 1.00 0.00 O
HETATM 1044 H1 HOH B 302 -7.121 9.370 8.792 1.00 0.00 H
HETATM 1045 H2 HOH B 302 -6.674 10.251 9.939 1.00 0.00 H
HETATM 1046 O HOH B 303 7.608 5.607 -2.157 1.00 0.00 O
HETATM 1047 H1 HOH B 303 6.678 5.661 -1.937 1.00 0.00 H
HETATM 1048 H2 HOH B 303 7.623 5.291 -3.060 1.00 0.00 H
HETATM 1049 O HOH B 304 8.464 9.017 -0.705 1.00 0.00 O
HETATM 1050 H1 HOH B 304 7.539 8.783 -0.628 1.00 0.00 H
HETATM 1051 H2 HOH B 304 8.805 8.429 -1.379 1.00 0.00 H
HETATM 1052 O HOH B 305 9.481 7.314 4.842 1.00 0.00 O
HETATM 1053 H1 HOH B 305 9.194 8.183 5.122 1.00 0.00 H
HETATM 1054 H2 HOH B 305 8.935 6.708 5.341 1.00 0.00 H
HETATM 1055 O HOH B 306 7.098 8.432 -4.182 1.00 0.00 O
HETATM 1056 H1 HOH B 306 6.384 7.828 -4.386 1.00 0.00 H
HETATM 1057 H2 HOH B 306 7.758 7.886 -3.754 1.00 0.00 H
HETATM 1058 O HOH B 307 8.636 4.232 0.067 1.00 0.00 O
HETATM 1059 H1 HOH B 307 8.795 4.779 0.836 1.00 0.00 H
HETATM 1060 H2 HOH B 307 8.366 4.847 -0.615 1.00 0.00 H
HETATM 1061 O HOH B 308 4.771 8.683 5.334 1.00 0.00 O
HETATM 1062 H1 HOH B 308 4.214 8.040 4.896 1.00 0.00 H
HETATM 1063 H2 HOH B 308 5.468 8.866 4.705 1.00 0.00 H
HETATM 1064 O HOH B 309 -11.155 5.082 8.605 1.00 0.00 O
HETATM 1065 H1 HOH B 309 -11.352 4.198 8.297 1.00 0.00 H
HETATM 1066 H2 HOH B 309 -11.973 5.387 8.999 1.00 0.00 H
HETATM 1067 O HOH B 310 -3.991 10.931 4.616 1.00 0.00 O
HETATM 1068 H1 HOH B 310 -3.779 11.796 4.966 1.00 0.00 H
HETATM 1069 H2 HOH B 310 -3.184 10.426 4.721 1.00 0.00 H
HETATM 1070 O HOH B 311 2.739 10.592 -8.534 1.00 0.00 O
HETATM 1071 H1 HOH B 311 2.581 9.741 -8.942 1.00 0.00 H
HETATM 1072 H2 HOH B 311 3.633 10.534 -8.197 1.00 0.00 H
HETATM 1073 O HOH B 312 3.201 -5.461 3.320 1.00 0.00 O
HETATM 1074 H1 HOH B 312 2.969 -5.317 4.237 1.00 0.00 H
HETATM 1075 H2 HOH B 312 2.538 -4.979 2.826 1.00 0.00 H
HETATM 1076 O HOH B 313 9.437 7.511 -2.768 1.00 0.00 O
HETATM 1077 H1 HOH B 313 8.981 6.723 -2.472 1.00 0.00 H
HETATM 1078 H2 HOH B 313 10.001 7.208 -3.480 1.00 0.00 H
HETATM 1079 O HOH B 314 5.767 8.475 -0.639 1.00 0.00 O
HETATM 1080 H1 HOH B 314 5.471 7.665 -1.056 1.00 0.00 H
HETATM 1081 H2 HOH B 314 5.689 9.139 -1.324 1.00 0.00 H
HETATM 1082 O HOH B 315 -10.689 -11.184 -5.468 1.00 0.00 O
HETATM 1083 H1 HOH B 315 -11.114 -12.041 -5.475 1.00 0.00 H
HETATM 1084 H2 HOH B 315 -9.935 -11.295 -4.889 1.00 0.00 H
HETATM 1085 O HOH B 316 3.108 -10.767 -9.120 1.00 0.00 O
HETATM 1086 H1 HOH B 316 3.407 -10.641 -8.220 1.00 0.00 H
HETATM 1087 H2 HOH B 316 2.894 -11.699 -9.174 1.00 0.00 H
HETATM 1088 O HOH B 317 8.734 8.396 -8.658 1.00 0.00 O
HETATM 1089 H1 HOH B 317 9.493 8.733 -9.134 1.00 0.00 H
HETATM 1090 H2 HOH B 317 8.927 8.580 -7.739 1.00 0.00 H
HETATM 1091 O HOH B 318 -11.541 10.220 -5.225 1.00 0.00 O
HETATM 1092 H1 HOH B 318 -11.723 9.636 -5.961 1.00 0.00 H
HETATM 1093 H2 HOH B 318 -12.323 10.166 -4.677 1.00 0.00 H
HETATM 1094 O HOH B 319 5.076 6.380 -8.948 1.00 0.00 O
HETATM 1095 H1 HOH B 319 4.389 6.300 -9.610 1.00 0.00 H
HETATM 1096 H2 HOH B 319 5.220 7.323 -8.865 1.00 0.00 H
HETATM 1097 O HOH B 320 6.561 9.311 7.404 1.00 0.00 O
HETATM 1098 H1 HOH B 320 6.181 9.282 8.282 1.00 0.00 H
HETATM 1099 H2 HOH B 320 5.863 8.998 6.829 1.00 0.00 H
HETATM 1100 O HOH B 321 7.761 -8.826 9.260 1.00 0.00 O
HETATM 1101 H1 HOH B 321 8.141 -8.941 8.389 1.00 0.00 H
HETATM 1102 H2 HOH B 321 6.876 -9.182 9.185 1.00 0.00 H
HETATM 1103 O HOH B 322 -9.748 7.951 -11.137 1.00 0.00 O
HETATM 1104 H1 HOH B 322 -9.745 8.864 -10.851 1.00 0.00 H
HETATM 1105 H2 HOH B 322 -9.612 7.995 -12.084 1.00 0.00 H
HETATM 1106 O HOH B 323 6.216 -9.331 11.740 1.00 0.00 O
HETATM 1107 H1 HOH B 323 5.672 -9.550 10.983 1.00 0.00 H
HETATM 1108 H2 HOH B 323 7.086 -9.175 11.373 1.00 0.00 H
HETATM 1109 O HOH B 324 10.826 6.911 -5.024 1.00 0.00 O
HETATM 1110 H1 HOH B 324 10.624 6.130 -5.540 1.00 0.00 H
HETATM 1111 H2 HOH B 324 10.469 7.636 -5.537 1.00 0.00 H
HETATM 1112 O HOH B 325 8.505 9.847 5.600 1.00 0.00 O
HETATM 1113 H1 HOH B 325 7.951 9.689 6.364 1.00 0.00 H
HETATM 1114 H2 HOH B 325 8.616 10.797 5.576 1.00 0.00 H
HETATM 1115 O HOH B 326 7.288 -10.838 -8.306 1.00 0.00 O
HETATM 1116 H1 HOH B 326 7.175 -9.926 -8.038 1.00 0.00 H
HETATM 1117 H2 HOH B 326 7.665 -10.785 -9.184 1.00 0.00 H
HETATM 1118 O HOH B 327 -8.740 -8.620 7.734 1.00 0.00 O
HETATM 1119 H1 HOH B 327 -8.564 -8.989 8.599 1.00 0.00 H
HETATM 1120 H2 HOH B 327 -9.552 -8.124 7.845 1.00 0.00 H
HETATM 1121 O HOH B 328 -9.897 -5.326 -10.561 1.00 0.00 O
HETATM 1122 H1 HOH B 328 -9.880 -4.369 -10.604 1.00 0.00 H
HETATM 1123 H2 HOH B 328 -9.279 -5.546 -9.865 1.00 0.00 H
TER 1124 HOH B 328
HETATM 1125 Na NA C 1 2.203 10.375 -1.212 1.00 0.00 Na
HETATM 1126 Na NA C 2 -6.508 -7.871 3.038 1.00 0.00 Na
HETATM 1127 Na NA C 3 -8.301 -9.121 0.227 1.00 0.00 Na
HETATM 1128 Na NA C 4 -4.783 7.949 9.928 1.00 0.00 Na
HETATM 1129 Na NA C 5 -7.004 -7.629 6.549 1.00 0.00 Na
HETATM 1130 Na NA C 6 3.495 -3.739 -4.837 1.00 0.00 Na
HETATM 1131 Na NA C 7 9.139 -3.314 3.904 1.00 0.00 Na
HETATM 1132 Na NA C 8 -8.987 -8.343 -8.114 1.00 0.00 Na
HETATM 1133 Cl CL C 9 1.781 1.549 8.681 1.00 0.00 Cl
HETATM 1134 Cl CL C 10 -3.965 3.977 9.320 1.00 0.00 Cl
HETATM 1135 Cl CL C 11 2.718 -7.893 8.256 1.00 0.00 Cl
HETATM 1136 Cl CL C 12 2.612 3.308 -9.470 1.00 0.00 Cl
HETATM 1137 Cl CL C 13 6.699 -5.398 -1.848 1.00 0.00 Cl
HETATM 1138 Cl CL C 14 -6.529 -9.408 -3.794 1.00 0.00 Cl
TER 1139 CL C 14
END
wrappers/python/tests/systems/test_charmm_peptide_4.pdb 0 → 100644
View file @ be646878
REMARK 1 CREATED WITH OPENMM 8.3, 2025-07-01
CRYST1 24.000 24.000 24.000 90.00 90.00 90.00 P 1 1
ATOM 1 N GLY A 1 -6.191 -2.039 4.188 1.00 0.00 N
ATOM 2 CA GLY A 1 -6.574 -1.518 2.835 1.00 0.00 C
ATOM 3 C GLY A 1 -5.473 -1.646 1.823 1.00 0.00 C
ATOM 4 O GLY A 1 -4.677 -2.572 1.903 1.00 0.00 O
ATOM 5 H GLY A 1 -5.431 -1.491 4.651 1.00 0.00 H
ATOM 6 H2 GLY A 1 -5.835 -3.033 4.159 1.00 0.00 H
ATOM 7 H3 GLY A 1 -7.016 -1.993 4.837 1.00 0.00 H
ATOM 8 HA2 GLY A 1 -7.400 -2.118 2.484 1.00 0.00 H
ATOM 9 HA3 GLY A 1 -6.818 -0.470 2.946 1.00 0.00 H
ATOM 10 N TYR A 2 -5.379 -0.733 0.839 1.00 0.00 N
ATOM 11 CA TYR A 2 -4.240 -0.662 -0.063 1.00 0.00 C
ATOM 12 C TYR A 2 -3.482 0.623 0.248 1.00 0.00 C
ATOM 13 O TYR A 2 -4.062 1.712 0.284 1.00 0.00 O
ATOM 14 CB TYR A 2 -4.695 -0.745 -1.551 1.00 0.00 C
ATOM 15 CG TYR A 2 -3.549 -0.650 -2.533 1.00 0.00 C
ATOM 16 CD1 TYR A 2 -2.939 -1.803 -3.061 1.00 0.00 C
ATOM 17 CD2 TYR A 2 -3.104 0.608 -2.969 1.00 0.00 C
ATOM 18 CE1 TYR A 2 -1.889 -1.691 -3.988 1.00 0.00 C
ATOM 19 CE2 TYR A 2 -2.051 0.724 -3.882 1.00 0.00 C
ATOM 20 CZ TYR A 2 -1.447 -0.426 -4.393 1.00 0.00 C
ATOM 21 OH TYR A 2 -0.404 -0.301 -5.330 1.00 0.00 O
ATOM 22 H TYR A 2 -6.087 -0.036 0.692 1.00 0.00 H
ATOM 23 HA TYR A 2 -3.557 -1.481 0.125 1.00 0.00 H
ATOM 24 HB2 TYR A 2 -5.211 -1.713 -1.717 1.00 0.00 H
ATOM 25 HB3 TYR A 2 -5.418 0.069 -1.769 1.00 0.00 H
ATOM 26 HD1 TYR A 2 -3.279 -2.779 -2.749 1.00 0.00 H
ATOM 27 HD2 TYR A 2 -3.570 1.499 -2.582 1.00 0.00 H
ATOM 28 HE1 TYR A 2 -1.418 -2.577 -4.389 1.00 0.00 H
ATOM 29 HE2 TYR A 2 -1.721 1.705 -4.193 1.00 0.00 H
ATOM 30 HH TYR A 2 -0.102 0.626 -5.304 1.00 0.00 H
ATOM 31 N ASP A 3 -2.166 0.517 0.508 1.00 0.00 N
ATOM 32 CA ASP A 3 -1.372 1.605 1.037 1.00 0.00 C
ATOM 33 C ASP A 3 -0.423 2.141 -0.041 1.00 0.00 C
ATOM 34 O ASP A 3 0.328 1.357 -0.630 1.00 0.00 O
ATOM 35 CB ASP A 3 -0.626 1.085 2.298 1.00 0.00 C
ATOM 36 CG ASP A 3 0.189 2.117 3.052 1.00 0.00 C
ATOM 37 OD1 ASP A 3 0.360 3.268 2.576 1.00 0.00 O
ATOM 38 OD2 ASP A 3 0.661 1.778 4.167 1.00 0.00 O
ATOM 39 H ASP A 3 -1.691 -0.360 0.411 1.00 0.00 H
ATOM 40 HA ASP A 3 -2.032 2.392 1.367 1.00 0.00 H
ATOM 41 HB2 ASP A 3 -1.387 0.685 3.002 1.00 0.00 H
ATOM 42 HB3 ASP A 3 0.048 0.251 2.023 1.00 0.00 H
ATOM 43 N PRO A 4 -0.382 3.440 -0.363 1.00 0.00 N
ATOM 44 CA PRO A 4 0.552 3.962 -1.349 1.00 0.00 C
ATOM 45 C PRO A 4 1.974 4.066 -0.812 1.00 0.00 C
ATOM 46 O PRO A 4 2.859 4.420 -1.595 1.00 0.00 O
ATOM 47 CB PRO A 4 -0.039 5.346 -1.681 1.00 0.00 C
ATOM 48 CG PRO A 4 -0.713 5.789 -0.381 1.00 0.00 C
ATOM 49 CD PRO A 4 -1.289 4.476 0.145 1.00 0.00 C
ATOM 50 HA PRO A 4 0.579 3.303 -2.204 1.00 0.00 H
ATOM 51 HB2 PRO A 4 0.710 6.077 -2.040 1.00 0.00 H
ATOM 52 HB3 PRO A 4 -0.819 5.221 -2.466 1.00 0.00 H
ATOM 53 HG2 PRO A 4 0.052 6.171 0.333 1.00 0.00 H
ATOM 54 HG3 PRO A 4 -1.492 6.562 -0.538 1.00 0.00 H
ATOM 55 HD2 PRO A 4 -1.335 4.474 1.256 1.00 0.00 H
ATOM 56 HD3 PRO A 4 -2.302 4.297 -0.274 1.00 0.00 H
ATOM 57 N GLU A 5 2.254 3.753 0.473 1.00 0.00 N
ATOM 58 CA GLU A 5 3.621 3.669 0.969 1.00 0.00 C
ATOM 59 C GLU A 5 4.192 2.323 0.555 1.00 0.00 C
ATOM 60 O GLU A 5 5.140 2.244 -0.227 1.00 0.00 O
ATOM 61 CB GLU A 5 3.667 3.813 2.519 1.00 0.00 C
ATOM 62 CG GLU A 5 4.984 4.426 3.079 1.00 0.00 C
ATOM 63 CD GLU A 5 6.212 3.526 3.148 1.00 0.00 C
ATOM 64 OE1 GLU A 5 6.170 2.311 2.847 1.00 0.00 O
ATOM 65 OE2 GLU A 5 7.281 4.077 3.530 1.00 0.00 O
ATOM 66 H GLU A 5 1.518 3.535 1.131 1.00 0.00 H
ATOM 67 HA GLU A 5 4.221 4.445 0.515 1.00 0.00 H
ATOM 68 HB2 GLU A 5 2.846 4.523 2.774 1.00 0.00 H
ATOM 69 HB3 GLU A 5 3.414 2.874 3.053 1.00 0.00 H
ATOM 70 HG2 GLU A 5 5.268 5.314 2.475 1.00 0.00 H
ATOM 71 HG3 GLU A 5 4.803 4.744 4.130 1.00 0.00 H
ATOM 72 N THR A 6 3.579 1.221 1.034 1.00 0.00 N
ATOM 73 CA THR A 6 3.987 -0.141 0.719 1.00 0.00 C
ATOM 74 C THR A 6 3.840 -0.485 -0.752 1.00 0.00 C
ATOM 75 O THR A 6 4.681 -1.168 -1.343 1.00 0.00 O
ATOM 76 CB THR A 6 3.272 -1.212 1.556 1.00 0.00 C
ATOM 77 OG1 THR A 6 1.889 -1.330 1.245 1.00 0.00 O
ATOM 78 CG2 THR A 6 3.369 -0.873 3.049 1.00 0.00 C
ATOM 79 H THR A 6 2.805 1.308 1.657 1.00 0.00 H
ATOM 80 HA THR A 6 5.038 -0.208 0.951 1.00 0.00 H
ATOM 81 HB THR A 6 3.767 -2.197 1.384 1.00 0.00 H
ATOM 82 HG1 THR A 6 1.657 -2.261 1.404 1.00 0.00 H
ATOM 83 HG21 THR A 6 4.424 -0.720 3.349 1.00 0.00 H
ATOM 84 HG22 THR A 6 2.947 -1.697 3.661 1.00 0.00 H
ATOM 85 HG23 THR A 6 2.798 0.049 3.292 1.00 0.00 H
ATOM 86 N GLY A 7 2.732 -0.041 -1.385 1.00 0.00 N
ATOM 87 CA GLY A 7 2.302 -0.493 -2.702 1.00 0.00 C
ATOM 88 C GLY A 7 1.750 -1.894 -2.643 1.00 0.00 C
ATOM 89 O GLY A 7 1.892 -2.675 -3.579 1.00 0.00 O
ATOM 90 H GLY A 7 2.078 0.531 -0.876 1.00 0.00 H
ATOM 91 HA2 GLY A 7 1.499 0.151 -3.025 1.00 0.00 H
ATOM 92 HA3 GLY A 7 3.147 -0.494 -3.376 1.00 0.00 H
ATOM 93 N THR A 8 1.141 -2.254 -1.498 1.00 0.00 N
ATOM 94 CA THR A 8 0.625 -3.588 -1.230 1.00 0.00 C
ATOM 95 C THR A 8 -0.757 -3.456 -0.639 1.00 0.00 C
ATOM 96 O THR A 8 -1.149 -2.430 -0.089 1.00 0.00 O
ATOM 97 CB THR A 8 1.470 -4.455 -0.255 1.00 0.00 C
ATOM 98 OG1 THR A 8 1.363 -4.125 1.136 1.00 0.00 O
ATOM 99 CG2 THR A 8 2.952 -4.400 -0.639 1.00 0.00 C
ATOM 100 H THR A 8 1.070 -1.594 -0.748 1.00 0.00 H
ATOM 101 HA THR A 8 0.526 -4.117 -2.167 1.00 0.00 H
ATOM 102 HB THR A 8 1.138 -5.515 -0.366 1.00 0.00 H
ATOM 103 HG1 THR A 8 0.495 -4.474 1.420 1.00 0.00 H
ATOM 104 HG21 THR A 8 3.089 -4.702 -1.697 1.00 0.00 H
ATOM 105 HG22 THR A 8 3.545 -5.084 0.004 1.00 0.00 H
ATOM 106 HG23 THR A 8 3.359 -3.377 -0.512 1.00 0.00 H
ATOM 107 N TRP A 9 -1.528 -4.559 -0.691 1.00 0.00 N
ATOM 108 CA TRP A 9 -2.595 -4.799 0.257 1.00 0.00 C
ATOM 109 C TRP A 9 -2.062 -4.963 1.681 1.00 0.00 C
ATOM 110 O TRP A 9 -0.974 -5.504 1.901 1.00 0.00 O
ATOM 111 CB TRP A 9 -3.447 -6.025 -0.153 1.00 0.00 C
ATOM 112 CG TRP A 9 -4.210 -5.810 -1.420 1.00 0.00 C
ATOM 113 CD1 TRP A 9 -3.956 -6.325 -2.664 1.00 0.00 C
ATOM 114 CD2 TRP A 9 -5.368 -4.971 -1.551 1.00 0.00 C
ATOM 115 NE1 TRP A 9 -4.890 -5.842 -3.556 1.00 0.00 N
ATOM 116 CE2 TRP A 9 -5.750 -5.007 -2.911 1.00 0.00 C
ATOM 117 CE3 TRP A 9 -6.122 -4.226 -0.644 1.00 0.00 C
ATOM 118 CZ2 TRP A 9 -6.823 -4.270 -3.384 1.00 0.00 C
ATOM 119 CZ3 TRP A 9 -7.203 -3.484 -1.123 1.00 0.00 C
ATOM 120 CH2 TRP A 9 -7.538 -3.490 -2.472 1.00 0.00 C
ATOM 121 H TRP A 9 -1.270 -5.342 -1.246 1.00 0.00 H
ATOM 122 HA TRP A 9 -3.229 -3.922 0.265 1.00 0.00 H
ATOM 123 HB2 TRP A 9 -2.787 -6.916 -0.255 1.00 0.00 H
ATOM 124 HB3 TRP A 9 -4.182 -6.247 0.649 1.00 0.00 H
ATOM 125 HD1 TRP A 9 -3.159 -7.020 -2.896 1.00 0.00 H
ATOM 126 HE1 TRP A 9 -5.114 -6.222 -4.435 1.00 0.00 H
ATOM 127 HE3 TRP A 9 -5.864 -4.205 0.404 1.00 0.00 H
ATOM 128 HZ2 TRP A 9 -7.091 -4.279 -4.430 1.00 0.00 H
ATOM 129 HZ3 TRP A 9 -7.772 -2.872 -0.432 1.00 0.00 H
ATOM 130 HH2 TRP A 9 -8.359 -2.874 -2.827 1.00 0.00 H
ATOM 131 N GLY A 10 -2.809 -4.465 2.675 1.00 0.00 N
ATOM 132 CA GLY A 10 -2.426 -4.476 4.071 1.00 0.00 C
ATOM 133 C GLY A 10 -3.648 -4.236 4.957 1.00 0.00 C
ATOM 134 O GLY A 10 -3.453 -3.944 6.166 1.00 0.00 O
ATOM 135 OXT GLY A 10 -4.818 -4.338 4.490 1.00 0.00 O
ATOM 136 H GLY A 10 -3.662 -3.971 2.483 1.00 0.00 H
ATOM 137 HA2 GLY A 10 -2.015 -5.440 4.333 1.00 0.00 H
ATOM 138 HA3 GLY A 10 -1.745 -3.651 4.231 1.00 0.00 H
TER 139 GLY A 10
HETATM 140 O HOH B 1 5.842 2.828 -7.968 1.00 0.00 O
HETATM 141 H1 HOH B 1 6.062 2.010 -8.412 1.00 0.00 H
HETATM 142 H2 HOH B 1 5.015 3.101 -8.365 1.00 0.00 H
HETATM 143 OM HOH B 1 5.777 2.770 -8.057 1.00 0.00 EP
HETATM 144 O HOH B 2 5.088 -9.709 9.042 1.00 0.00 O
HETATM 145 H1 HOH B 2 4.906 -10.365 8.369 1.00 0.00 H
HETATM 146 H2 HOH B 2 4.427 -9.032 8.903 1.00 0.00 H
HETATM 147 OM HOH B 2 4.998 -9.707 8.955 1.00 0.00 EP
HETATM 148 O HOH B 3 -5.915 6.231 10.326 1.00 0.00 O
HETATM 149 H1 HOH B 3 -6.797 5.862 10.356 1.00 0.00 H
HETATM 150 H2 HOH B 3 -5.356 5.497 10.072 1.00 0.00 H
HETATM 151 OM HOH B 3 -5.949 6.114 10.302 1.00 0.00 EP
HETATM 152 O HOH B 4 -10.746 -0.382 -3.096 1.00 0.00 O
HETATM 153 H1 HOH B 4 -10.769 0.558 -3.274 1.00 0.00 H
HETATM 154 H2 HOH B 4 -10.529 -0.780 -3.939 1.00 0.00 H
HETATM 155 OM HOH B 4 -10.725 -0.325 -3.205 1.00 0.00 EP
HETATM 156 O HOH B 5 4.958 6.074 -1.815 1.00 0.00 O
HETATM 157 H1 HOH B 5 4.310 5.383 -1.683 1.00 0.00 H
HETATM 158 H2 HOH B 5 4.931 6.253 -2.755 1.00 0.00 H
HETATM 159 OM HOH B 5 4.886 6.020 -1.901 1.00 0.00 EP
HETATM 160 O HOH B 6 7.952 -1.734 -4.429 1.00 0.00 O
HETATM 161 H1 HOH B 6 7.791 -1.027 -5.055 1.00 0.00 H
HETATM 162 H2 HOH B 6 8.050 -1.291 -3.587 1.00 0.00 H
HETATM 163 OM HOH B 6 7.946 -1.611 -4.406 1.00 0.00 EP
HETATM 164 O HOH B 7 6.849 8.946 -9.342 1.00 0.00 O
HETATM 165 H1 HOH B 7 6.647 9.802 -8.963 1.00 0.00 H
HETATM 166 H2 HOH B 7 7.798 8.859 -9.245 1.00 0.00 H
HETATM 167 OM HOH B 7 6.929 9.028 -9.291 1.00 0.00 EP
HETATM 168 O HOH B 8 -8.905 8.941 -7.411 1.00 0.00 O
HETATM 169 H1 HOH B 8 -8.008 9.226 -7.240 1.00 0.00 H
HETATM 170 H2 HOH B 8 -9.000 8.132 -6.907 1.00 0.00 H
HETATM 171 OM HOH B 8 -8.820 8.885 -7.339 1.00 0.00 EP
HETATM 172 O HOH B 9 0.740 2.395 -10.734 1.00 0.00 O
HETATM 173 H1 HOH B 9 1.037 2.203 -11.624 1.00 0.00 H
HETATM 174 H2 HOH B 9 1.456 2.896 -10.345 1.00 0.00 H
HETATM 175 OM HOH B 9 0.848 2.428 -10.788 1.00 0.00 EP
HETATM 176 O HOH B 10 4.606 8.811 1.851 1.00 0.00 O
HETATM 177 H1 HOH B 10 5.335 9.147 2.373 1.00 0.00 H
HETATM 178 H2 HOH B 10 4.978 8.674 0.980 1.00 0.00 H
HETATM 179 OM HOH B 10 4.723 8.832 1.813 1.00 0.00 EP
HETATM 180 O HOH B 11 0.355 10.462 -2.761 1.00 0.00 O
HETATM 181 H1 HOH B 11 0.493 11.337 -3.122 1.00 0.00 H
HETATM 182 H2 HOH B 11 0.321 9.889 -3.527 1.00 0.00 H
HETATM 183 OM HOH B 11 0.366 10.494 -2.881 1.00 0.00 EP
HETATM 184 O HOH B 12 -9.476 -5.983 -5.436 1.00 0.00 O
HETATM 185 H1 HOH B 12 -10.006 -6.201 -6.203 1.00 0.00 H
HETATM 186 H2 HOH B 12 -8.672 -5.610 -5.798 1.00 0.00 H
HETATM 187 OM HOH B 12 -9.446 -5.967 -5.556 1.00 0.00 EP
HETATM 188 O HOH B 13 -6.767 -11.861 4.899 1.00 0.00 O
HETATM 189 H1 HOH B 13 -6.466 -12.159 5.757 1.00 0.00 H
HETATM 190 H2 HOH B 13 -7.259 -12.602 4.547 1.00 0.00 H
HETATM 191 OM HOH B 13 -6.787 -11.972 4.953 1.00 0.00 EP
HETATM 192 O HOH B 14 -0.294 -7.964 5.056 1.00 0.00 O
HETATM 193 H1 HOH B 14 0.123 -7.143 5.315 1.00 0.00 H
HETATM 194 H2 HOH B 14 0.138 -8.632 5.588 1.00 0.00 H
HETATM 195 OM HOH B 14 -0.204 -7.948 5.140 1.00 0.00 EP
HETATM 196 O HOH B 15 1.029 -10.881 -3.463 1.00 0.00 O
HETATM 197 H1 HOH B 15 1.961 -10.664 -3.445 1.00 0.00 H
HETATM 198 H2 HOH B 15 0.747 -10.649 -4.348 1.00 0.00 H
HETATM 199 OM HOH B 15 1.098 -10.833 -3.556 1.00 0.00 EP
HETATM 200 O HOH B 16 -4.397 -5.767 -8.191 1.00 0.00 O
HETATM 201 H1 HOH B 16 -4.029 -4.890 -8.301 1.00 0.00 H
HETATM 202 H2 HOH B 16 -3.791 -6.209 -7.596 1.00 0.00 H
HETATM 203 OM HOH B 16 -4.293 -5.721 -8.139 1.00 0.00 EP
HETATM 204 O HOH B 17 -2.894 -10.357 1.134 1.00 0.00 O
HETATM 205 H1 HOH B 17 -2.685 -10.384 0.201 1.00 0.00 H
HETATM 206 H2 HOH B 17 -2.142 -9.922 1.536 1.00 0.00 H
HETATM 207 OM HOH B 17 -2.792 -10.314 1.078 1.00 0.00 EP
HETATM 208 O HOH B 18 7.269 -7.812 -8.603 1.00 0.00 O
HETATM 209 H1 HOH B 18 6.561 -8.036 -9.208 1.00 0.00 H
HETATM 210 H2 HOH B 18 7.366 -6.864 -8.688 1.00 0.00 H
HETATM 211 OM HOH B 18 7.204 -7.735 -8.677 1.00 0.00 EP
HETATM 212 O HOH B 19 6.880 9.356 3.406 1.00 0.00 O
HETATM 213 H1 HOH B 19 7.412 9.647 4.147 1.00 0.00 H
HETATM 214 H2 HOH B 19 7.515 9.018 2.774 1.00 0.00 H
HETATM 215 OM HOH B 19 7.005 9.351 3.418 1.00 0.00 EP
HETATM 216 O HOH B 20 -6.635 -7.362 0.247 1.00 0.00 O
HETATM 217 H1 HOH B 20 -6.755 -6.596 -0.314 1.00 0.00 H
HETATM 218 H2 HOH B 20 -6.041 -7.929 -0.246 1.00 0.00 H
HETATM 219 OM HOH B 20 -6.584 -7.341 0.134 1.00 0.00 EP
HETATM 220 O HOH B 21 1.148 -6.867 10.795 1.00 0.00 O
HETATM 221 H1 HOH B 21 1.766 -7.034 11.507 1.00 0.00 H
HETATM 222 H2 HOH B 21 1.637 -7.075 9.999 1.00 0.00 H
HETATM 223 OM HOH B 21 1.266 -6.907 10.786 1.00 0.00 EP
HETATM 224 O HOH B 22 2.295 6.992 -3.964 1.00 0.00 O
HETATM 225 H1 HOH B 22 2.068 6.080 -4.141 1.00 0.00 H
HETATM 226 H2 HOH B 22 1.598 7.499 -4.382 1.00 0.00 H
HETATM 227 OM HOH B 22 2.197 6.949 -4.028 1.00 0.00 EP
HETATM 228 O HOH B 23 -6.301 1.635 -4.318 1.00 0.00 O
HETATM 229 H1 HOH B 23 -6.054 0.710 -4.299 1.00 0.00 H
HETATM 230 H2 HOH B 23 -6.882 1.743 -3.565 1.00 0.00 H
HETATM 231 OM HOH B 23 -6.337 1.548 -4.236 1.00 0.00 EP
HETATM 232 O HOH B 24 -6.605 6.566 1.107 1.00 0.00 O
HETATM 233 H1 HOH B 24 -7.084 5.951 1.662 1.00 0.00 H
HETATM 234 H2 HOH B 24 -5.896 6.890 1.663 1.00 0.00 H
HETATM 235 OM HOH B 24 -6.580 6.535 1.225 1.00 0.00 EP
HETATM 236 O HOH B 25 2.071 5.474 -6.828 1.00 0.00 O
HETATM 237 H1 HOH B 25 2.412 4.995 -7.584 1.00 0.00 H
HETATM 238 H2 HOH B 25 2.395 4.989 -6.070 1.00 0.00 H
HETATM 239 OM HOH B 25 2.142 5.372 -6.828 1.00 0.00 EP
HETATM 240 O HOH B 26 -6.792 -11.426 -6.549 1.00 0.00 O
HETATM 241 H1 HOH B 26 -6.447 -12.319 -6.566 1.00 0.00 H
HETATM 242 H2 HOH B 26 -6.630 -11.123 -5.655 1.00 0.00 H
HETATM 243 OM HOH B 26 -6.738 -11.489 -6.455 1.00 0.00 EP
HETATM 244 O HOH B 27 -2.262 10.593 -5.446 1.00 0.00 O
HETATM 245 H1 HOH B 27 -2.258 9.989 -4.703 1.00 0.00 H
HETATM 246 H2 HOH B 27 -1.451 10.400 -5.917 1.00 0.00 H
HETATM 247 OM HOH B 27 -2.175 10.508 -5.417 1.00 0.00 EP
HETATM 248 O HOH B 28 -1.161 -7.945 -4.801 1.00 0.00 O
HETATM 249 H1 HOH B 28 -0.989 -8.127 -3.877 1.00 0.00 H
HETATM 250 H2 HOH B 28 -0.712 -8.648 -5.271 1.00 0.00 H
HETATM 251 OM HOH B 28 -1.094 -8.040 -4.753 1.00 0.00 EP
HETATM 252 O HOH B 29 -8.777 -7.922 -2.129 1.00 0.00 O
HETATM 253 H1 HOH B 29 -8.199 -8.369 -2.747 1.00 0.00 H
HETATM 254 H2 HOH B 29 -9.586 -7.774 -2.620 1.00 0.00 H
HETATM 255 OM HOH B 29 -8.802 -7.954 -2.247 1.00 0.00 EP
HETATM 256 O HOH B 30 -1.087 -8.172 -10.219 1.00 0.00 O
HETATM 257 H1 HOH B 30 -0.911 -7.242 -10.363 1.00 0.00 H
HETATM 258 H2 HOH B 30 -0.221 -8.580 -10.198 1.00 0.00 H
HETATM 259 OM HOH B 30 -0.976 -8.116 -10.232 1.00 0.00 EP
HETATM 260 O HOH B 31 -8.062 -0.643 5.749 1.00 0.00 O
HETATM 261 H1 HOH B 31 -8.333 -1.135 6.524 1.00 0.00 H
HETATM 262 H2 HOH B 31 -8.027 0.267 6.043 1.00 0.00 H
HETATM 263 OM HOH B 31 -8.087 -0.598 5.863 1.00 0.00 EP
HETATM 264 O HOH B 32 0.388 -2.076 -9.237 1.00 0.00 O
HETATM 265 H1 HOH B 32 0.555 -2.943 -8.869 1.00 0.00 H
HETATM 266 H2 HOH B 32 1.204 -1.596 -9.100 1.00 0.00 H
HETATM 267 OM HOH B 32 0.493 -2.117 -9.183 1.00 0.00 EP
HETATM 268 O HOH B 33 -3.142 0.100 -9.642 1.00 0.00 O
HETATM 269 H1 HOH B 33 -2.664 0.887 -9.906 1.00 0.00 H
HETATM 270 H2 HOH B 33 -2.587 -0.305 -8.976 1.00 0.00 H
HETATM 271 OM HOH B 33 -3.032 0.141 -9.599 1.00 0.00 EP
HETATM 272 O HOH B 34 2.655 8.097 -1.531 1.00 0.00 O
HETATM 273 H1 HOH B 34 2.491 7.722 -2.396 1.00 0.00 H
HETATM 274 H2 HOH B 34 3.261 7.484 -1.114 1.00 0.00 H
HETATM 275 OM HOH B 34 2.702 7.992 -1.579 1.00 0.00 EP
HETATM 276 O HOH B 35 8.431 -0.234 -2.179 1.00 0.00 O
HETATM 277 H1 HOH B 35 8.045 0.638 -2.099 1.00 0.00 H
HETATM 278 H2 HOH B 35 9.373 -0.087 -2.100 1.00 0.00 H
HETATM 279 OM HOH B 35 8.490 -0.125 -2.162 1.00 0.00 EP
HETATM 280 O HOH B 36 -2.184 0.248 6.923 1.00 0.00 O
HETATM 281 H1 HOH B 36 -1.532 0.073 6.244 1.00 0.00 H
HETATM 282 H2 HOH B 36 -1.716 0.110 7.746 1.00 0.00 H
HETATM 283 OM HOH B 36 -2.064 0.214 6.938 1.00 0.00 EP
HETATM 284 O HOH B 37 -3.561 -3.178 -8.702 1.00 0.00 O
HETATM 285 H1 HOH B 37 -3.115 -3.221 -9.547 1.00 0.00 H
HETATM 286 H2 HOH B 37 -3.047 -2.554 -8.190 1.00 0.00 H
HETATM 287 OM HOH B 37 -3.459 -3.116 -8.738 1.00 0.00 EP
HETATM 288 O HOH B 38 -6.788 2.635 11.374 1.00 0.00 O
HETATM 289 H1 HOH B 38 -7.290 3.274 11.880 1.00 0.00 H
HETATM 290 H2 HOH B 38 -5.883 2.761 11.659 1.00 0.00 H
HETATM 291 OM HOH B 38 -6.745 2.717 11.458 1.00 0.00 EP
HETATM 292 O HOH B 39 -9.076 2.546 1.780 1.00 0.00 O
HETATM 293 H1 HOH B 39 -8.535 3.264 2.110 1.00 0.00 H
HETATM 294 H2 HOH B 39 -9.877 2.589 2.303 1.00 0.00 H
HETATM 295 OM HOH B 39 -9.104 2.627 1.871 1.00 0.00 EP
HETATM 296 O HOH B 40 -2.743 -10.274 -1.614 1.00 0.00 O
HETATM 297 H1 HOH B 40 -1.972 -9.769 -1.873 1.00 0.00 H
HETATM 298 H2 HOH B 40 -2.837 -10.937 -2.298 1.00 0.00 H
HETATM 299 OM HOH B 40 -2.671 -10.291 -1.715 1.00 0.00 EP
HETATM 300 O HOH B 41 -6.379 -6.445 8.337 1.00 0.00 O
HETATM 301 H1 HOH B 41 -5.875 -6.477 9.150 1.00 0.00 H
HETATM 302 H2 HOH B 41 -6.177 -5.588 7.963 1.00 0.00 H
HETATM 303 OM HOH B 41 -6.303 -6.357 8.384 1.00 0.00 EP
HETATM 304 O HOH B 42 3.959 -3.229 9.388 1.00 0.00 O
HETATM 305 H1 HOH B 42 3.106 -3.383 8.982 1.00 0.00 H
HETATM 306 H2 HOH B 42 4.256 -4.098 9.658 1.00 0.00 H
HETATM 307 OM HOH B 42 3.900 -3.338 9.373 1.00 0.00 EP
HETATM 308 O HOH B 43 4.762 -8.266 5.877 1.00 0.00 O
HETATM 309 H1 HOH B 43 5.185 -7.411 5.963 1.00 0.00 H
HETATM 310 H2 HOH B 43 4.124 -8.290 6.590 1.00 0.00 H
HETATM 311 OM HOH B 43 4.739 -8.177 5.962 1.00 0.00 EP
HETATM 312 O HOH B 44 8.799 -3.434 5.907 1.00 0.00 O
HETATM 313 H1 HOH B 44 7.861 -3.334 6.072 1.00 0.00 H
HETATM 314 H2 HOH B 44 9.219 -3.094 6.696 1.00 0.00 H
HETATM 315 OM HOH B 44 8.744 -3.387 6.009 1.00 0.00 EP
HETATM 316 O HOH B 45 -5.582 3.282 -9.567 1.00 0.00 O
HETATM 317 H1 HOH B 45 -5.554 2.392 -9.216 1.00 0.00 H
HETATM 318 H2 HOH B 45 -4.989 3.262 -10.318 1.00 0.00 H
HETATM 319 OM HOH B 45 -5.516 3.185 -9.609 1.00 0.00 EP
HETATM 320 O HOH B 46 -3.203 -7.706 -6.558 1.00 0.00 O
HETATM 321 H1 HOH B 46 -2.517 -7.754 -5.893 1.00 0.00 H
HETATM 322 H2 HOH B 46 -3.001 -8.420 -7.163 1.00 0.00 H
HETATM 323 OM HOH B 46 -3.108 -7.787 -6.552 1.00 0.00 EP
HETATM 324 O HOH B 47 -0.385 -4.885 9.323 1.00 0.00 O
HETATM 325 H1 HOH B 47 0.319 -4.488 8.811 1.00 0.00 H
HETATM 326 H2 HOH B 47 0.049 -5.560 9.845 1.00 0.00 H
HETATM 327 OM HOH B 47 -0.264 -4.915 9.324 1.00 0.00 EP
HETATM 328 O HOH B 48 7.858 5.117 -4.825 1.00 0.00 O
HETATM 329 H1 HOH B 48 8.665 5.076 -5.338 1.00 0.00 H
HETATM 330 H2 HOH B 48 7.167 5.245 -5.475 1.00 0.00 H
HETATM 331 OM HOH B 48 7.870 5.126 -4.949 1.00 0.00 EP
HETATM 332 O HOH B 49 -7.936 0.643 0.049 1.00 0.00 O
HETATM 333 H1 HOH B 49 -8.308 1.259 0.680 1.00 0.00 H
HETATM 334 H2 HOH B 49 -7.893 1.135 -0.771 1.00 0.00 H
HETATM 335 OM HOH B 49 -7.971 0.761 0.029 1.00 0.00 EP
HETATM 336 O HOH B 50 -8.000 -10.722 -1.075 1.00 0.00 O
HETATM 337 H1 HOH B 50 -7.441 -10.478 -1.813 1.00 0.00 H
HETATM 338 H2 HOH B 50 -8.664 -11.296 -1.455 1.00 0.00 H
HETATM 339 OM HOH B 50 -8.011 -10.757 -1.194 1.00 0.00 EP
HETATM 340 O HOH B 51 -10.035 3.235 -0.688 1.00 0.00 O
HETATM 341 H1 HOH B 51 -9.800 3.059 0.223 1.00 0.00 H
HETATM 342 H2 HOH B 51 -10.164 4.183 -0.724 1.00 0.00 H
HETATM 343 OM HOH B 51 -10.024 3.317 -0.595 1.00 0.00 EP
HETATM 344 O HOH B 52 -4.014 2.796 -6.947 1.00 0.00 O
HETATM 345 H1 HOH B 52 -3.836 3.002 -6.029 1.00 0.00 H
HETATM 346 H2 HOH B 52 -3.376 3.315 -7.436 1.00 0.00 H
HETATM 347 OM HOH B 52 -3.927 2.873 -6.901 1.00 0.00 EP
HETATM 348 O HOH B 53 -3.507 4.329 5.241 1.00 0.00 O
HETATM 349 H1 HOH B 53 -3.695 3.498 5.678 1.00 0.00 H
HETATM 350 H2 HOH B 53 -2.610 4.233 4.920 1.00 0.00 H
HETATM 351 OM HOH B 53 -3.431 4.230 5.254 1.00 0.00 EP
HETATM 352 O HOH B 54 -4.117 -8.247 2.321 1.00 0.00 O
HETATM 353 H1 HOH B 54 -3.854 -9.015 1.814 1.00 0.00 H
HETATM 354 H2 HOH B 54 -3.312 -7.956 2.751 1.00 0.00 H
HETATM 355 OM HOH B 54 -4.003 -8.298 2.313 1.00 0.00 EP
HETATM 356 O HOH B 55 -0.444 10.199 -7.525 1.00 0.00 O
HETATM 357 H1 HOH B 55 -0.484 9.654 -8.311 1.00 0.00 H
HETATM 358 H2 HOH B 55 -0.309 11.088 -7.855 1.00 0.00 H
HETATM 359 OM HOH B 55 -0.434 10.236 -7.644 1.00 0.00 EP
HETATM 360 O HOH B 56 -8.208 9.523 7.310 1.00 0.00 O
HETATM 361 H1 HOH B 56 -7.527 9.341 6.662 1.00 0.00 H
HETATM 362 H2 HOH B 56 -8.837 8.810 7.204 1.00 0.00 H
HETATM 363 OM HOH B 56 -8.202 9.428 7.230 1.00 0.00 EP
HETATM 364 O HOH B 57 5.601 -2.910 -5.823 1.00 0.00 O
HETATM 365 H1 HOH B 57 5.950 -2.557 -5.005 1.00 0.00 H
HETATM 366 H2 HOH B 57 6.060 -3.742 -5.940 1.00 0.00 H
HETATM 367 OM HOH B 57 5.687 -2.961 -5.748 1.00 0.00 EP
HETATM 368 O HOH B 58 -6.750 3.143 -6.587 1.00 0.00 O
HETATM 369 H1 HOH B 58 -5.841 3.124 -6.887 1.00 0.00 H
HETATM 370 H2 HOH B 58 -6.776 2.522 -5.860 1.00 0.00 H
HETATM 371 OM HOH B 58 -6.656 3.074 -6.542 1.00 0.00 EP
HETATM 372 O HOH B 59 2.779 -0.506 -8.772 1.00 0.00 O
HETATM 373 H1 HOH B 59 3.455 -0.537 -8.095 1.00 0.00 H
HETATM 374 H2 HOH B 59 2.191 0.194 -8.491 1.00 0.00 H
HETATM 375 OM HOH B 59 2.789 -0.435 -8.670 1.00 0.00 EP
HETATM 376 O HOH B 60 -2.763 7.112 10.361 1.00 0.00 O
HETATM 377 H1 HOH B 60 -2.954 6.175 10.308 1.00 0.00 H
HETATM 378 H2 HOH B 60 -1.839 7.182 10.124 1.00 0.00 H
HETATM 379 OM HOH B 60 -2.685 7.019 10.330 1.00 0.00 EP
HETATM 380 O HOH B 61 -2.964 7.059 -8.586 1.00 0.00 O
HETATM 381 H1 HOH B 61 -3.823 6.640 -8.634 1.00 0.00 H
HETATM 382 H2 HOH B 61 -3.120 7.874 -8.110 1.00 0.00 H
HETATM 383 OM HOH B 61 -3.072 7.101 -8.541 1.00 0.00 EP
HETATM 384 O HOH B 62 0.293 -9.949 -5.906 1.00 0.00 O
HETATM 385 H1 HOH B 62 0.865 -9.278 -6.279 1.00 0.00 H
HETATM 386 H2 HOH B 62 0.045 -10.495 -6.651 1.00 0.00 H
HETATM 387 OM HOH B 62 0.328 -9.936 -6.025 1.00 0.00 EP
HETATM 388 O HOH B 63 -4.355 3.709 -1.641 1.00 0.00 O
HETATM 389 H1 HOH B 63 -4.748 4.536 -1.361 1.00 0.00 H
HETATM 390 H2 HOH B 63 -4.353 3.165 -0.854 1.00 0.00 H
HETATM 391 OM HOH B 63 -4.397 3.739 -1.527 1.00 0.00 EP
HETATM 392 O HOH B 64 -1.701 -3.253 -10.866 1.00 0.00 O
HETATM 393 H1 HOH B 64 -1.815 -2.966 -11.772 1.00 0.00 H
HETATM 394 H2 HOH B 64 -1.053 -2.649 -10.502 1.00 0.00 H
HETATM 395 OM HOH B 64 -1.644 -3.158 -10.923 1.00 0.00 EP
HETATM 396 O HOH B 65 1.559 7.934 7.256 1.00 0.00 O
HETATM 397 H1 HOH B 65 0.952 7.612 7.923 1.00 0.00 H
HETATM 398 H2 HOH B 65 1.266 7.521 6.445 1.00 0.00 H
HETATM 399 OM HOH B 65 1.463 7.856 7.241 1.00 0.00 EP
HETATM 400 O HOH B 66 2.416 -5.794 -4.425 1.00 0.00 O
HETATM 401 H1 HOH B 66 2.894 -6.047 -5.214 1.00 0.00 H
HETATM 402 H2 HOH B 66 2.788 -6.340 -3.733 1.00 0.00 H
HETATM 403 OM HOH B 66 2.507 -5.879 -4.435 1.00 0.00 EP
HETATM 404 O HOH B 67 -9.332 -11.496 -3.593 1.00 0.00 O
HETATM 405 H1 HOH B 67 -9.092 -12.418 -3.691 1.00 0.00 H
HETATM 406 H2 HOH B 67 -8.513 -11.019 -3.725 1.00 0.00 H
HETATM 407 OM HOH B 67 -9.219 -11.544 -3.617 1.00 0.00 EP
HETATM 408 O HOH B 68 -8.301 2.194 -2.416 1.00 0.00 O
HETATM 409 H1 HOH B 68 -8.807 2.064 -3.218 1.00 0.00 H
HETATM 410 H2 HOH B 68 -8.937 2.531 -1.784 1.00 0.00 H
HETATM 411 OM HOH B 68 -8.423 2.216 -2.434 1.00 0.00 EP
HETATM 412 O HOH B 69 -5.674 0.114 8.146 1.00 0.00 O
HETATM 413 H1 HOH B 69 -5.335 0.911 7.738 1.00 0.00 H
HETATM 414 H2 HOH B 69 -5.327 -0.598 7.608 1.00 0.00 H
HETATM 415 OM HOH B 69 -5.601 0.123 8.045 1.00 0.00 EP
HETATM 416 O HOH B 70 -7.483 -9.591 1.996 1.00 0.00 O
HETATM 417 H1 HOH B 70 -7.709 -9.733 2.915 1.00 0.00 H
HETATM 418 H2 HOH B 70 -6.869 -10.295 1.788 1.00 0.00 H
HETATM 419 OM HOH B 70 -7.442 -9.681 2.072 1.00 0.00 EP
HETATM 420 O HOH B 71 7.350 -10.318 2.645 1.00 0.00 O
HETATM 421 H1 HOH B 71 7.989 -10.763 3.202 1.00 0.00 H
HETATM 422 H2 HOH B 71 7.400 -9.399 2.908 1.00 0.00 H
HETATM 423 OM HOH B 71 7.423 -10.268 2.733 1.00 0.00 EP
HETATM 424 O HOH B 72 -0.499 4.768 -6.157 1.00 0.00 O
HETATM 425 H1 HOH B 72 -0.915 5.511 -5.720 1.00 0.00 H
HETATM 426 H2 HOH B 72 0.344 5.107 -6.458 1.00 0.00 H
HETATM 427 OM HOH B 72 -0.453 4.883 -6.142 1.00 0.00 EP
HETATM 428 O HOH B 73 -7.761 4.442 -10.588 1.00 0.00 O
HETATM 429 H1 HOH B 73 -6.987 3.991 -10.251 1.00 0.00 H
HETATM 430 H2 HOH B 73 -7.546 5.372 -10.520 1.00 0.00 H
HETATM 431 OM HOH B 73 -7.655 4.493 -10.545 1.00 0.00 EP
HETATM 432 O HOH B 74 -5.248 -9.221 -1.206 1.00 0.00 O
HETATM 433 H1 HOH B 74 -4.342 -9.506 -1.319 1.00 0.00 H
HETATM 434 H2 HOH B 74 -5.635 -9.298 -2.078 1.00 0.00 H
HETATM 435 OM HOH B 74 -5.193 -9.259 -1.311 1.00 0.00 EP
HETATM 436 O HOH B 75 0.260 3.100 6.348 1.00 0.00 O
HETATM 437 H1 HOH B 75 0.770 2.671 7.035 1.00 0.00 H
HETATM 438 H2 HOH B 75 0.454 2.599 5.556 1.00 0.00 H
HETATM 439 OM HOH B 75 0.335 3.001 6.337 1.00 0.00 EP
HETATM 440 O HOH B 76 2.859 -7.403 -11.010 1.00 0.00 O
HETATM 441 H1 HOH B 76 2.954 -6.687 -10.382 1.00 0.00 H
HETATM 442 H2 HOH B 76 3.699 -7.861 -10.981 1.00 0.00 H
HETATM 443 OM HOH B 76 2.959 -7.376 -10.940 1.00 0.00 EP
HETATM 444 O HOH B 77 -7.575 -0.650 -7.584 1.00 0.00 O
HETATM 445 H1 HOH B 77 -8.216 -0.384 -8.243 1.00 0.00 H
HETATM 446 H2 HOH B 77 -6.806 -0.110 -7.766 1.00 0.00 H
HETATM 447 OM HOH B 77 -7.561 -0.564 -7.674 1.00 0.00 EP
HETATM 448 O HOH B 78 6.828 0.088 3.942 1.00 0.00 O
HETATM 449 H1 HOH B 78 6.541 0.882 3.492 1.00 0.00 H
HETATM 450 H2 HOH B 78 6.697 0.277 4.871 1.00 0.00 H
HETATM 451 OM HOH B 78 6.784 0.193 3.993 1.00 0.00 EP
HETATM 452 O HOH B 79 -1.705 -1.265 -7.703 1.00 0.00 O
HETATM 453 H1 HOH B 79 -1.363 -1.013 -6.845 1.00 0.00 H
HETATM 454 H2 HOH B 79 -0.931 -1.514 -8.207 1.00 0.00 H
HETATM 455 OM HOH B 79 -1.586 -1.265 -7.665 1.00 0.00 EP
HETATM 456 O HOH B 80 3.490 7.055 3.642 1.00 0.00 O
HETATM 457 H1 HOH B 80 3.913 6.213 3.474 1.00 0.00 H
HETATM 458 H2 HOH B 80 3.808 7.628 2.944 1.00 0.00 H
HETATM 459 OM HOH B 80 3.569 7.027 3.550 1.00 0.00 EP
HETATM 460 O HOH B 81 -5.765 -7.522 -5.794 1.00 0.00 O
HETATM 461 H1 HOH B 81 -5.963 -8.174 -5.122 1.00 0.00 H
HETATM 462 H2 HOH B 81 -4.842 -7.664 -6.002 1.00 0.00 H
HETATM 463 OM HOH B 81 -5.688 -7.607 -5.745 1.00 0.00 EP
HETATM 464 O HOH B 82 8.483 3.611 -8.077 1.00 0.00 O
HETATM 465 H1 HOH B 82 8.460 4.326 -8.713 1.00 0.00 H
HETATM 466 H2 HOH B 82 7.565 3.365 -7.960 1.00 0.00 H
HETATM 467 OM HOH B 82 8.382 3.661 -8.132 1.00 0.00 EP
HETATM 468 O HOH B 83 5.046 -0.548 -7.115 1.00 0.00 O
HETATM 469 H1 HOH B 83 5.662 -0.024 -6.603 1.00 0.00 H
HETATM 470 H2 HOH B 83 5.172 -1.443 -6.800 1.00 0.00 H
HETATM 471 OM HOH B 83 5.125 -0.588 -7.027 1.00 0.00 EP
HETATM 472 O HOH B 84 -5.657 6.115 -1.377 1.00 0.00 O
HETATM 473 H1 HOH B 84 -5.959 6.258 -0.480 1.00 0.00 H
HETATM 474 H2 HOH B 84 -6.401 5.708 -1.819 1.00 0.00 H
HETATM 475 OM HOH B 84 -5.768 6.087 -1.328 1.00 0.00 EP
HETATM 476 O HOH B 85 -5.421 10.207 2.308 1.00 0.00 O
HETATM 477 H1 HOH B 85 -4.989 10.469 3.120 1.00 0.00 H
HETATM 478 H2 HOH B 85 -5.463 11.010 1.788 1.00 0.00 H
HETATM 479 OM HOH B 85 -5.379 10.321 2.339 1.00 0.00 EP
HETATM 480 O HOH B 86 -5.359 0.830 -8.311 1.00 0.00 O
HETATM 481 H1 HOH B 86 -4.852 1.364 -7.698 1.00 0.00 H
HETATM 482 H2 HOH B 86 -4.701 0.419 -8.871 1.00 0.00 H
HETATM 483 OM HOH B 86 -5.234 0.843 -8.305 1.00 0.00 EP
HETATM 484 O HOH B 87 4.214 -5.710 -6.410 1.00 0.00 O
HETATM 485 H1 HOH B 87 5.164 -5.805 -6.343 1.00 0.00 H
HETATM 486 H2 HOH B 87 4.031 -5.789 -7.346 1.00 0.00 H
HETATM 487 OM HOH B 87 4.296 -5.728 -6.503 1.00 0.00 EP
HETATM 488 O HOH B 88 4.673 -1.062 7.679 1.00 0.00 O
HETATM 489 H1 HOH B 88 4.260 -1.605 8.351 1.00 0.00 H
HETATM 490 H2 HOH B 88 4.616 -0.171 8.023 1.00 0.00 H
HETATM 491 OM HOH B 88 4.622 -1.025 7.788 1.00 0.00 EP
HETATM 492 O HOH B 89 2.914 -5.498 6.157 1.00 0.00 O
HETATM 493 H1 HOH B 89 3.869 -5.436 6.169 1.00 0.00 H
HETATM 494 H2 HOH B 89 2.710 -6.176 6.801 1.00 0.00 H
HETATM 495 OM HOH B 89 2.994 -5.564 6.227 1.00 0.00 EP
HETATM 496 O HOH B 90 -6.454 -3.115 -8.272 1.00 0.00 O
HETATM 497 H1 HOH B 90 -5.526 -2.991 -8.471 1.00 0.00 H
HETATM 498 H2 HOH B 90 -6.755 -2.253 -7.987 1.00 0.00 H
HETATM 499 OM HOH B 90 -6.387 -3.010 -8.263 1.00 0.00 EP
HETATM 500 O HOH B 91 -5.658 -4.026 7.475 1.00 0.00 O
HETATM 501 H1 HOH B 91 -5.286 -3.721 8.303 1.00 0.00 H
HETATM 502 H2 HOH B 91 -4.915 -4.045 6.871 1.00 0.00 H
HETATM 503 OM HOH B 91 -5.539 -3.995 7.499 1.00 0.00 EP
HETATM 504 O HOH B 92 -7.256 -5.349 -6.898 1.00 0.00 O
HETATM 505 H1 HOH B 92 -6.860 -4.578 -7.304 1.00 0.00 H
HETATM 506 H2 HOH B 92 -6.513 -5.898 -6.649 1.00 0.00 H
HETATM 507 OM HOH B 92 -7.135 -5.325 -6.915 1.00 0.00 EP
HETATM 508 O HOH B 93 7.216 7.176 10.196 1.00 0.00 O
HETATM 509 H1 HOH B 93 6.541 7.854 10.177 1.00 0.00 H
HETATM 510 H2 HOH B 93 7.101 6.699 9.374 1.00 0.00 H
HETATM 511 OM HOH B 93 7.132 7.197 10.106 1.00 0.00 EP
HETATM 512 O HOH B 94 6.667 0.729 6.583 1.00 0.00 O
HETATM 513 H1 HOH B 94 6.369 -0.127 6.891 1.00 0.00 H
HETATM 514 H2 HOH B 94 6.105 1.356 7.037 1.00 0.00 H
HETATM 515 OM HOH B 94 6.575 0.704 6.664 1.00 0.00 EP
HETATM 516 O HOH B 95 4.738 1.583 8.458 1.00 0.00 O
HETATM 517 H1 HOH B 95 5.114 2.233 9.051 1.00 0.00 H
HETATM 518 H2 HOH B 95 3.792 1.676 8.568 1.00 0.00 H
HETATM 519 OM HOH B 95 4.677 1.662 8.533 1.00 0.00 EP
HETATM 520 O HOH B 96 1.828 -8.086 -7.048 1.00 0.00 O
HETATM 521 H1 HOH B 96 2.669 -8.449 -6.769 1.00 0.00 H
HETATM 522 H2 HOH B 96 1.750 -8.343 -7.967 1.00 0.00 H
HETATM 523 OM HOH B 96 1.910 -8.152 -7.117 1.00 0.00 EP
HETATM 524 O HOH B 97 -0.700 -0.202 9.271 1.00 0.00 O
HETATM 525 H1 HOH B 97 0.088 0.338 9.208 1.00 0.00 H
HETATM 526 H2 HOH B 97 -1.336 0.353 9.722 1.00 0.00 H
HETATM 527 OM HOH B 97 -0.684 -0.085 9.312 1.00 0.00 EP
HETATM 528 O HOH B 98 5.716 -5.732 6.352 1.00 0.00 O
HETATM 529 H1 HOH B 98 6.242 -6.021 7.098 1.00 0.00 H
HETATM 530 H2 HOH B 98 5.857 -4.786 6.312 1.00 0.00 H
HETATM 531 OM HOH B 98 5.788 -5.662 6.428 1.00 0.00 EP
HETATM 532 O HOH B 99 -0.681 4.784 4.367 1.00 0.00 O
HETATM 533 H1 HOH B 99 -0.319 4.274 3.642 1.00 0.00 H
HETATM 534 H2 HOH B 99 -0.401 4.315 5.153 1.00 0.00 H
HETATM 535 OM HOH B 99 -0.612 4.679 4.374 1.00 0.00 EP
HETATM 536 O HOH B 100 6.905 -2.501 3.032 1.00 0.00 O
HETATM 537 H1 HOH B 100 6.769 -1.592 3.300 1.00 0.00 H
HETATM 538 H2 HOH B 100 6.662 -2.517 2.106 1.00 0.00 H
HETATM 539 OM HOH B 100 6.865 -2.406 2.962 1.00 0.00 EP
HETATM 540 O HOH B 101 -6.389 9.714 -9.784 1.00 0.00 O
HETATM 541 H1 HOH B 101 -6.228 9.821 -8.847 1.00 0.00 H
HETATM 542 H2 HOH B 101 -7.247 10.113 -9.928 1.00 0.00 H
HETATM 543 OM HOH B 101 -6.463 9.768 -9.700 1.00 0.00 EP
HETATM 544 O HOH B 102 -10.363 5.658 -9.964 1.00 0.00 O
HETATM 545 H1 HOH B 102 -10.251 6.514 -10.376 1.00 0.00 H
HETATM 546 H2 HOH B 102 -9.713 5.099 -10.390 1.00 0.00 H
HETATM 547 OM HOH B 102 -10.282 5.689 -10.053 1.00 0.00 EP
HETATM 548 O HOH B 103 -5.259 -6.005 10.810 1.00 0.00 O
HETATM 549 H1 HOH B 103 -5.162 -6.929 11.040 1.00 0.00 H
HETATM 550 H2 HOH B 103 -6.027 -5.715 11.303 1.00 0.00 H
HETATM 551 OM HOH B 103 -5.331 -6.073 10.887 1.00 0.00 EP
HETATM 552 O HOH B 104 -9.525 0.403 -9.219 1.00 0.00 O
HETATM 553 H1 HOH B 104 -10.412 0.380 -8.859 1.00 0.00 H
HETATM 554 H2 HOH B 104 -9.226 1.299 -9.063 1.00 0.00 H
HETATM 555 OM HOH B 104 -9.588 0.496 -9.164 1.00 0.00 EP
HETATM 556 O HOH B 105 7.070 -7.778 3.588 1.00 0.00 O
HETATM 557 H1 HOH B 105 7.495 -6.958 3.336 1.00 0.00 H
HETATM 558 H2 HOH B 105 6.144 -7.639 3.389 1.00 0.00 H
HETATM 559 OM HOH B 105 7.017 -7.676 3.540 1.00 0.00 EP
HETATM 560 O HOH B 106 -1.827 -2.728 10.383 1.00 0.00 O
HETATM 561 H1 HOH B 106 -1.304 -3.434 10.005 1.00 0.00 H
HETATM 562 H2 HOH B 106 -1.435 -1.926 10.035 1.00 0.00 H
HETATM 563 OM HOH B 106 -1.729 -2.718 10.306 1.00 0.00 EP
HETATM 564 O HOH B 107 -9.859 -4.745 1.515 1.00 0.00 O
HETATM 565 H1 HOH B 107 -9.937 -3.878 1.912 1.00 0.00 H
HETATM 566 H2 HOH B 107 -10.053 -4.604 0.589 1.00 0.00 H
HETATM 567 OM HOH B 107 -9.888 -4.638 1.459 1.00 0.00 EP
HETATM 568 O HOH B 108 -2.538 -9.572 -8.436 1.00 0.00 O
HETATM 569 H1 HOH B 108 -3.212 -9.852 -9.056 1.00 0.00 H
HETATM 570 H2 HOH B 108 -1.992 -8.963 -8.933 1.00 0.00 H
HETATM 571 OM HOH B 108 -2.552 -9.537 -8.555 1.00 0.00 EP
HETATM 572 O HOH B 109 -0.638 -8.967 10.027 1.00 0.00 O
HETATM 573 H1 HOH B 109 -0.097 -8.257 10.373 1.00 0.00 H
HETATM 574 H2 HOH B 109 -0.013 -9.652 9.790 1.00 0.00 H
HETATM 575 OM HOH B 109 -0.514 -8.965 10.039 1.00 0.00 EP
HETATM 576 O HOH B 110 -7.631 -9.333 9.957 1.00 0.00 O
HETATM 577 H1 HOH B 110 -6.720 -9.191 10.213 1.00 0.00 H
HETATM 578 H2 HOH B 110 -8.078 -8.521 10.200 1.00 0.00 H
HETATM 579 OM HOH B 110 -7.582 -9.231 10.010 1.00 0.00 EP
HETATM 580 O HOH B 111 -4.342 3.574 -4.349 1.00 0.00 O
HETATM 581 H1 HOH B 111 -5.026 2.904 -4.354 1.00 0.00 H
HETATM 582 H2 HOH B 111 -4.164 3.728 -3.422 1.00 0.00 H
HETATM 583 OM HOH B 111 -4.396 3.519 -4.251 1.00 0.00 EP
HETATM 584 O HOH B 112 -0.215 -0.432 5.215 1.00 0.00 O
HETATM 585 H1 HOH B 112 0.443 -0.695 5.858 1.00 0.00 H
HETATM 586 H2 HOH B 112 0.161 0.339 4.789 1.00 0.00 H
HETATM 587 OM HOH B 112 -0.105 -0.378 5.239 1.00 0.00 EP
HETATM 588 O HOH B 113 -4.528 -3.457 9.908 1.00 0.00 O
HETATM 589 H1 HOH B 113 -4.543 -4.334 10.291 1.00 0.00 H
HETATM 590 H2 HOH B 113 -3.636 -3.144 10.060 1.00 0.00 H
HETATM 591 OM HOH B 113 -4.434 -3.517 9.965 1.00 0.00 EP
HETATM 592 O HOH B 114 1.195 1.563 -8.040 1.00 0.00 O
HETATM 593 H1 HOH B 114 1.862 2.224 -8.223 1.00 0.00 H
HETATM 594 H2 HOH B 114 0.625 1.577 -8.809 1.00 0.00 H
HETATM 595 OM HOH B 114 1.205 1.635 -8.141 1.00 0.00 EP
HETATM 596 O HOH B 115 -4.247 -1.387 6.151 1.00 0.00 O
HETATM 597 H1 HOH B 115 -3.501 -0.831 6.378 1.00 0.00 H
HETATM 598 H2 HOH B 115 -3.900 -2.278 6.180 1.00 0.00 H
HETATM 599 OM HOH B 115 -4.130 -1.422 6.178 1.00 0.00 EP
HETATM 600 O HOH B 116 -4.186 3.248 12.130 1.00 0.00 O
HETATM 601 H1 HOH B 116 -3.975 3.589 11.261 1.00 0.00 H
HETATM 602 H2 HOH B 116 -3.366 2.868 12.444 1.00 0.00 H
HETATM 603 OM HOH B 116 -4.076 3.244 12.071 1.00 0.00 EP
HETATM 604 O HOH B 117 6.823 -2.425 -9.115 1.00 0.00 O
HETATM 605 H1 HOH B 117 7.375 -2.511 -8.338 1.00 0.00 H
HETATM 606 H2 HOH B 117 6.907 -1.506 -9.369 1.00 0.00 H
HETATM 607 OM HOH B 117 6.891 -2.336 -9.059 1.00 0.00 EP
HETATM 608 O HOH B 118 -7.167 5.431 -5.189 1.00 0.00 O
HETATM 609 H1 HOH B 118 -6.359 5.937 -5.279 1.00 0.00 H
HETATM 610 H2 HOH B 118 -7.023 4.652 -5.726 1.00 0.00 H
HETATM 611 OM HOH B 118 -7.066 5.402 -5.256 1.00 0.00 EP
HETATM 612 O HOH B 119 -5.379 -6.863 4.745 1.00 0.00 O
HETATM 613 H1 HOH B 119 -5.242 -5.920 4.663 1.00 0.00 H
HETATM 614 H2 HOH B 119 -4.520 -7.211 4.986 1.00 0.00 H
HETATM 615 OM HOH B 119 -5.273 -6.800 4.762 1.00 0.00 EP
HETATM 616 O HOH B 120 2.303 4.220 -4.374 1.00 0.00 O
HETATM 617 H1 HOH B 120 1.818 3.438 -4.637 1.00 0.00 H
HETATM 618 H2 HOH B 120 2.639 4.012 -3.502 1.00 0.00 H
HETATM 619 OM HOH B 120 2.287 4.114 -4.309 1.00 0.00 EP
HETATM 620 O HOH B 121 3.520 -9.989 1.501 1.00 0.00 O
HETATM 621 H1 HOH B 121 4.355 -10.191 1.079 1.00 0.00 H
HETATM 622 H2 HOH B 121 3.745 -9.365 2.191 1.00 0.00 H
HETATM 623 OM HOH B 121 3.633 -9.944 1.529 1.00 0.00 EP
HETATM 624 O HOH B 122 -7.280 0.123 10.411 1.00 0.00 O
HETATM 625 H1 HOH B 122 -7.077 0.953 10.842 1.00 0.00 H
HETATM 626 H2 HOH B 122 -6.691 0.093 9.657 1.00 0.00 H
HETATM 627 OM HOH B 122 -7.195 0.208 10.377 1.00 0.00 EP
HETATM 628 O HOH B 123 3.514 11.576 -1.964 1.00 0.00 O
HETATM 629 H1 HOH B 123 4.320 11.149 -2.254 1.00 0.00 H
HETATM 630 H2 HOH B 123 3.563 12.458 -2.332 1.00 0.00 H
HETATM 631 OM HOH B 123 3.605 11.625 -2.034 1.00 0.00 EP
HETATM 632 O HOH B 124 7.230 5.000 11.835 1.00 0.00 O
HETATM 633 H1 HOH B 124 7.629 5.220 12.677 1.00 0.00 H
HETATM 634 H2 HOH B 124 7.263 5.814 11.333 1.00 0.00 H
HETATM 635 OM HOH B 124 7.276 5.110 11.871 1.00 0.00 EP
HETATM 636 O HOH B 125 -1.971 2.532 -10.313 1.00 0.00 O
HETATM 637 H1 HOH B 125 -1.051 2.507 -10.576 1.00 0.00 H
HETATM 638 H2 HOH B 125 -2.007 3.202 -9.630 1.00 0.00 H
HETATM 639 OM HOH B 125 -1.877 2.601 -10.268 1.00 0.00 EP
HETATM 640 O HOH B 126 -8.875 -2.100 7.970 1.00 0.00 O
HETATM 641 H1 HOH B 126 -9.283 -1.298 8.298 1.00 0.00 H
HETATM 642 H2 HOH B 126 -8.279 -2.368 8.669 1.00 0.00 H
HETATM 643 OM HOH B 126 -8.855 -2.043 8.080 1.00 0.00 EP
HETATM 644 O HOH B 127 1.909 8.636 -9.650 1.00 0.00 O
HETATM 645 H1 HOH B 127 0.973 8.492 -9.783 1.00 0.00 H
HETATM 646 H2 HOH B 127 2.327 7.860 -10.023 1.00 0.00 H
HETATM 647 OM HOH B 127 1.854 8.538 -9.704 1.00 0.00 EP
HETATM 648 O HOH B 128 3.150 4.556 9.323 1.00 0.00 O
HETATM 649 H1 HOH B 128 4.014 4.275 9.624 1.00 0.00 H
HETATM 650 H2 HOH B 128 2.710 3.745 9.068 1.00 0.00 H
HETATM 651 OM HOH B 128 3.195 4.439 9.328 1.00 0.00 EP
HETATM 652 O HOH B 129 1.510 -9.262 -9.570 1.00 0.00 O
HETATM 653 H1 HOH B 129 2.221 -9.856 -9.330 1.00 0.00 H
HETATM 654 H2 HOH B 129 1.920 -8.615 -10.144 1.00 0.00 H
HETATM 655 OM HOH B 129 1.629 -9.257 -9.606 1.00 0.00 EP
HETATM 656 O HOH B 130 -10.335 -7.010 7.783 1.00 0.00 O
HETATM 657 H1 HOH B 130 -11.263 -6.904 7.993 1.00 0.00 H
HETATM 658 H2 HOH B 130 -9.879 -6.799 8.597 1.00 0.00 H
HETATM 659 OM HOH B 130 -10.386 -6.977 7.892 1.00 0.00 EP
HETATM 660 O HOH B 131 1.022 6.905 4.799 1.00 0.00 O
HETATM 661 H1 HOH B 131 0.572 6.077 4.627 1.00 0.00 H
HETATM 662 H2 HOH B 131 1.892 6.788 4.419 1.00 0.00 H
HETATM 663 OM HOH B 131 1.066 6.804 4.740 1.00 0.00 EP
HETATM 664 O HOH B 132 -12.129 -7.059 -1.135 1.00 0.00 O
HETATM 665 H1 HOH B 132 -11.847 -7.142 -2.046 1.00 0.00 H
HETATM 666 H2 HOH B 132 -12.572 -6.212 -1.097 1.00 0.00 H
HETATM 667 OM HOH B 132 -12.146 -6.978 -1.228 1.00 0.00 EP
HETATM 668 O HOH B 133 -1.930 8.484 7.494 1.00 0.00 O
HETATM 669 H1 HOH B 133 -1.245 8.119 8.054 1.00 0.00 H
HETATM 670 H2 HOH B 133 -2.597 7.798 7.453 1.00 0.00 H
HETATM 671 OM HOH B 133 -1.929 8.372 7.549 1.00 0.00 EP
HETATM 672 O HOH B 134 -9.834 6.033 -1.130 1.00 0.00 O
HETATM 673 H1 HOH B 134 -9.439 6.817 -0.750 1.00 0.00 H
HETATM 674 H2 HOH B 134 -9.138 5.647 -1.662 1.00 0.00 H
HETATM 675 OM HOH B 134 -9.717 6.075 -1.146 1.00 0.00 EP
HETATM 676 O HOH B 135 0.589 2.320 -5.492 1.00 0.00 O
HETATM 677 H1 HOH B 135 0.855 2.032 -6.366 1.00 0.00 H
HETATM 678 H2 HOH B 135 0.070 3.109 -5.647 1.00 0.00 H
HETATM 679 OM HOH B 135 0.562 2.373 -5.602 1.00 0.00 EP
HETATM 680 O HOH B 136 -10.321 -7.464 0.831 1.00 0.00 O
HETATM 681 H1 HOH B 136 -11.022 -7.374 0.186 1.00 0.00 H
HETATM 682 H2 HOH B 136 -10.266 -6.604 1.248 1.00 0.00 H
HETATM 683 OM HOH B 136 -10.390 -7.363 0.807 1.00 0.00 EP
HETATM 684 O HOH B 137 -0.194 7.059 9.209 1.00 0.00 O
HETATM 685 H1 HOH B 137 -0.430 6.235 8.782 1.00 0.00 H
HETATM 686 H2 HOH B 137 0.427 6.806 9.892 1.00 0.00 H
HETATM 687 OM HOH B 137 -0.153 6.944 9.236 1.00 0.00 EP
HETATM 688 O HOH B 138 0.715 -4.654 -8.228 1.00 0.00 O
HETATM 689 H1 HOH B 138 0.260 -5.076 -8.957 1.00 0.00 H
HETATM 690 H2 HOH B 138 0.332 -5.050 -7.445 1.00 0.00 H
HETATM 691 OM HOH B 138 0.625 -4.741 -8.223 1.00 0.00 EP
HETATM 692 O HOH B 139 -1.911 6.924 -5.072 1.00 0.00 O
HETATM 693 H1 HOH B 139 -2.761 6.634 -5.404 1.00 0.00 H
HETATM 694 H2 HOH B 139 -2.124 7.499 -4.337 1.00 0.00 H
HETATM 695 OM HOH B 139 -2.024 6.954 -5.029 1.00 0.00 EP
HETATM 696 O HOH B 140 -0.018 -5.589 -5.749 1.00 0.00 O
HETATM 697 H1 HOH B 140 0.798 -5.609 -5.249 1.00 0.00 H
HETATM 698 H2 HOH B 140 -0.486 -6.378 -5.477 1.00 0.00 H
HETATM 699 OM HOH B 140 0.019 -5.675 -5.667 1.00 0.00 EP
HETATM 700 O HOH B 141 -11.742 8.551 -7.526 1.00 0.00 O
HETATM 701 H1 HOH B 141 -10.816 8.757 -7.651 1.00 0.00 H
HETATM 702 H2 HOH B 141 -11.778 7.594 -7.533 1.00 0.00 H
HETATM 703 OM HOH B 141 -11.647 8.470 -7.540 1.00 0.00 EP
HETATM 704 O HOH B 142 5.066 8.859 9.510 1.00 0.00 O
HETATM 705 H1 HOH B 142 4.400 9.526 9.675 1.00 0.00 H
HETATM 706 H2 HOH B 142 4.594 8.151 9.072 1.00 0.00 H
HETATM 707 OM HOH B 142 4.945 8.855 9.481 1.00 0.00 EP
HETATM 708 O HOH B 143 -6.247 8.868 5.575 1.00 0.00 O
HETATM 709 H1 HOH B 143 -5.504 9.426 5.345 1.00 0.00 H
HETATM 710 H2 HOH B 143 -5.927 7.976 5.445 1.00 0.00 H
HETATM 711 OM HOH B 143 -6.134 8.833 5.536 1.00 0.00 EP
HETATM 712 O HOH B 144 -6.890 8.571 -4.833 1.00 0.00 O
HETATM 713 H1 HOH B 144 -6.301 8.530 -4.080 1.00 0.00 H
HETATM 714 H2 HOH B 144 -7.712 8.909 -4.477 1.00 0.00 H
HETATM 715 OM HOH B 144 -6.915 8.603 -4.715 1.00 0.00 EP
HETATM 716 O HOH B 145 -9.438 6.660 -5.991 1.00 0.00 O
HETATM 717 H1 HOH B 145 -9.838 6.849 -5.142 1.00 0.00 H
HETATM 718 H2 HOH B 145 -8.603 6.244 -5.776 1.00 0.00 H
HETATM 719 OM HOH B 145 -9.391 6.636 -5.878 1.00 0.00 EP
HETATM 720 O HOH B 146 -5.348 5.728 -8.332 1.00 0.00 O
HETATM 721 H1 HOH B 146 -6.048 6.204 -8.778 1.00 0.00 H
HETATM 722 H2 HOH B 146 -5.369 4.852 -8.719 1.00 0.00 H
HETATM 723 OM HOH B 146 -5.425 5.685 -8.421 1.00 0.00 EP
HETATM 724 O HOH B 147 3.935 6.826 8.013 1.00 0.00 O
HETATM 725 H1 HOH B 147 3.649 6.012 8.429 1.00 0.00 H
HETATM 726 H2 HOH B 147 3.131 7.214 7.668 1.00 0.00 H
HETATM 727 OM HOH B 147 3.819 6.780 8.020 1.00 0.00 EP
HETATM 728 O HOH B 148 -3.533 9.581 -7.596 1.00 0.00 O
HETATM 729 H1 HOH B 148 -3.152 10.107 -8.298 1.00 0.00 H
HETATM 730 H2 HOH B 148 -3.111 9.902 -6.799 1.00 0.00 H
HETATM 731 OM HOH B 148 -3.447 9.671 -7.586 1.00 0.00 EP
HETATM 732 O HOH B 149 -1.798 9.295 4.880 1.00 0.00 O
HETATM 733 H1 HOH B 149 -1.685 9.052 5.799 1.00 0.00 H
HETATM 734 H2 HOH B 149 -1.937 8.464 4.427 1.00 0.00 H
HETATM 735 OM HOH B 149 -1.801 9.181 4.929 1.00 0.00 EP
HETATM 736 O HOH B 150 -8.597 8.123 0.087 1.00 0.00 O
HETATM 737 H1 HOH B 150 -9.116 8.387 0.846 1.00 0.00 H
HETATM 738 H2 HOH B 150 -7.849 7.655 0.457 1.00 0.00 H
HETATM 739 OM HOH B 150 -8.573 8.101 0.207 1.00 0.00 EP
HETATM 740 O HOH B 151 -8.710 2.901 -8.482 1.00 0.00 O
HETATM 741 H1 HOH B 151 -8.483 3.507 -9.187 1.00 0.00 H
HETATM 742 H2 HOH B 151 -7.983 2.968 -7.863 1.00 0.00 H
HETATM 743 OM HOH B 151 -8.608 2.973 -8.491 1.00 0.00 EP
HETATM 744 O HOH B 152 -7.797 4.937 -2.594 1.00 0.00 O
HETATM 745 H1 HOH B 152 -7.608 5.132 -3.512 1.00 0.00 H
HETATM 746 H2 HOH B 152 -7.853 3.982 -2.558 1.00 0.00 H
HETATM 747 OM HOH B 152 -7.783 4.856 -2.688 1.00 0.00 EP
HETATM 748 O HOH B 153 -11.491 5.751 -7.514 1.00 0.00 O
HETATM 749 H1 HOH B 153 -10.724 5.995 -6.996 1.00 0.00 H
HETATM 750 H2 HOH B 153 -11.162 5.679 -8.410 1.00 0.00 H
HETATM 751 OM HOH B 153 -11.374 5.769 -7.554 1.00 0.00 EP
HETATM 752 O HOH B 154 -0.542 -8.901 -2.329 1.00 0.00 O
HETATM 753 H1 HOH B 154 0.070 -9.583 -2.605 1.00 0.00 H
HETATM 754 H2 HOH B 154 -0.175 -8.565 -1.512 1.00 0.00 H
HETATM 755 OM HOH B 154 -0.438 -8.938 -2.271 1.00 0.00 EP
HETATM 756 O HOH B 155 -0.875 8.481 -9.757 1.00 0.00 O
HETATM 757 H1 HOH B 155 -1.494 7.869 -9.358 1.00 0.00 H
HETATM 758 H2 HOH B 155 -1.134 8.519 -10.677 1.00 0.00 H
HETATM 759 OM HOH B 155 -0.969 8.420 -9.812 1.00 0.00 EP
HETATM 760 O HOH B 156 -10.886 3.090 -6.892 1.00 0.00 O
HETATM 761 H1 HOH B 156 -11.257 3.959 -7.043 1.00 0.00 H
HETATM 762 H2 HOH B 156 -10.118 3.054 -7.462 1.00 0.00 H
HETATM 763 OM HOH B 156 -10.843 3.179 -6.969 1.00 0.00 EP
HETATM 764 O HOH B 157 -4.120 2.179 6.892 1.00 0.00 O
HETATM 765 H1 HOH B 157 -3.949 2.755 7.637 1.00 0.00 H
HETATM 766 H2 HOH B 157 -3.399 1.549 6.906 1.00 0.00 H
HETATM 767 OM HOH B 157 -4.025 2.173 6.973 1.00 0.00 EP
HETATM 768 O HOH B 158 -7.558 9.789 -1.820 1.00 0.00 O
HETATM 769 H1 HOH B 158 -7.926 9.304 -1.081 1.00 0.00 H
HETATM 770 H2 HOH B 158 -8.258 9.801 -2.473 1.00 0.00 H
HETATM 771 OM HOH B 158 -7.672 9.739 -1.811 1.00 0.00 EP
HETATM 772 O HOH B 159 -7.854 9.897 3.605 1.00 0.00 O
HETATM 773 H1 HOH B 159 -7.160 10.022 2.958 1.00 0.00 H
HETATM 774 H2 HOH B 159 -7.447 9.372 4.294 1.00 0.00 H
HETATM 775 OM HOH B 159 -7.737 9.854 3.609 1.00 0.00 EP
HETATM 776 O HOH B 160 5.171 -8.761 -10.211 1.00 0.00 O
HETATM 777 H1 HOH B 160 5.590 -9.126 -10.990 1.00 0.00 H
HETATM 778 H2 HOH B 160 4.771 -9.516 -9.778 1.00 0.00 H
HETATM 779 OM HOH B 160 5.173 -8.881 -10.248 1.00 0.00 EP
HETATM 780 O HOH B 161 -11.297 3.573 3.178 1.00 0.00 O
HETATM 781 H1 HOH B 161 -12.234 3.468 3.341 1.00 0.00 H
HETATM 782 H2 HOH B 161 -11.229 4.399 2.697 1.00 0.00 H
HETATM 783 OM HOH B 161 -11.390 3.650 3.144 1.00 0.00 EP
HETATM 784 O HOH B 162 -1.272 -8.316 2.548 1.00 0.00 O
HETATM 785 H1 HOH B 162 -0.912 -8.228 3.430 1.00 0.00 H
HETATM 786 H2 HOH B 162 -0.977 -7.530 2.089 1.00 0.00 H
HETATM 787 OM HOH B 162 -1.202 -8.223 2.593 1.00 0.00 EP
HETATM 788 O HOH B 163 -8.127 5.805 5.348 1.00 0.00 O
HETATM 789 H1 HOH B 163 -8.488 6.286 6.093 1.00 0.00 H
HETATM 790 H2 HOH B 163 -7.179 5.902 5.437 1.00 0.00 H
HETATM 791 OM HOH B 163 -8.064 5.867 5.437 1.00 0.00 EP
HETATM 792 O HOH B 164 -9.385 9.608 -3.931 1.00 0.00 O
HETATM 793 H1 HOH B 164 -9.747 8.764 -3.663 1.00 0.00 H
HETATM 794 H2 HOH B 164 -10.047 9.978 -4.516 1.00 0.00 H
HETATM 795 OM HOH B 164 -9.494 9.558 -3.965 1.00 0.00 EP
HETATM 796 O HOH B 165 2.943 10.211 6.715 1.00 0.00 O
HETATM 797 H1 HOH B 165 3.624 9.822 6.166 1.00 0.00 H
HETATM 798 H2 HOH B 165 2.326 9.497 6.873 1.00 0.00 H
HETATM 799 OM HOH B 165 2.950 10.093 6.673 1.00 0.00 EP
HETATM 800 O HOH B 166 -5.238 8.551 -2.597 1.00 0.00 O
HETATM 801 H1 HOH B 166 -5.936 9.079 -2.210 1.00 0.00 H
HETATM 802 H2 HOH B 166 -5.329 7.692 -2.184 1.00 0.00 H
HETATM 803 OM HOH B 166 -5.322 8.515 -2.512 1.00 0.00 EP
HETATM 804 O HOH B 167 -2.180 4.388 -8.253 1.00 0.00 O
HETATM 805 H1 HOH B 167 -2.394 5.299 -8.457 1.00 0.00 H
HETATM 806 H2 HOH B 167 -1.519 4.445 -7.563 1.00 0.00 H
HETATM 807 OM HOH B 167 -2.132 4.491 -8.201 1.00 0.00 EP
HETATM 808 O HOH B 168 -0.318 -11.149 -8.297 1.00 0.00 O
HETATM 809 H1 HOH B 168 -1.165 -10.705 -8.338 1.00 0.00 H
HETATM 810 H2 HOH B 168 0.248 -10.641 -8.877 1.00 0.00 H
HETATM 811 OM HOH B 168 -0.348 -11.048 -8.363 1.00 0.00 EP
HETATM 812 O HOH B 169 -9.169 -11.107 -7.902 1.00 0.00 O
HETATM 813 H1 HOH B 169 -8.357 -11.305 -7.434 1.00 0.00 H
HETATM 814 H2 HOH B 169 -9.845 -11.120 -7.225 1.00 0.00 H
HETATM 815 OM HOH B 169 -9.154 -11.129 -7.780 1.00 0.00 EP
HETATM 816 O HOH B 170 -2.561 8.880 -3.268 1.00 0.00 O
HETATM 817 H1 HOH B 170 -3.484 8.811 -3.023 1.00 0.00 H
HETATM 818 H2 HOH B 170 -2.140 9.280 -2.507 1.00 0.00 H
HETATM 819 OM HOH B 170 -2.615 8.916 -3.161 1.00 0.00 EP
HETATM 820 O HOH B 171 -4.675 7.555 2.745 1.00 0.00 O
HETATM 821 H1 HOH B 171 -3.726 7.435 2.763 1.00 0.00 H
HETATM 822 H2 HOH B 171 -4.796 8.475 2.512 1.00 0.00 H
HETATM 823 OM HOH B 171 -4.587 7.640 2.722 1.00 0.00 EP
HETATM 824 O HOH B 172 0.763 -10.343 1.391 1.00 0.00 O
HETATM 825 H1 HOH B 172 1.714 -10.410 1.480 1.00 0.00 H
HETATM 826 H2 HOH B 172 0.448 -10.205 2.284 1.00 0.00 H
HETATM 827 OM HOH B 172 0.831 -10.335 1.496 1.00 0.00 EP
HETATM 828 O HOH B 173 2.082 9.833 1.221 1.00 0.00 O
HETATM 829 H1 HOH B 173 1.456 9.513 1.871 1.00 0.00 H
HETATM 830 H2 HOH B 173 2.938 9.576 1.565 1.00 0.00 H
HETATM 831 OM HOH B 173 2.107 9.771 1.327 1.00 0.00 EP
HETATM 832 O HOH B 174 -5.514 -12.232 7.414 1.00 0.00 O
HETATM 833 H1 HOH B 174 -4.907 -12.860 7.807 1.00 0.00 H
HETATM 834 H2 HOH B 174 -6.217 -12.142 8.057 1.00 0.00 H
HETATM 835 OM HOH B 174 -5.524 -12.290 7.524 1.00 0.00 EP
HETATM 836 O HOH B 175 4.357 1.106 -10.405 1.00 0.00 O
HETATM 837 H1 HOH B 175 4.038 1.991 -10.224 1.00 0.00 H
HETATM 838 H2 HOH B 175 3.718 0.530 -9.985 1.00 0.00 H
HETATM 839 OM HOH B 175 4.255 1.139 -10.341 1.00 0.00 EP
HETATM 840 O HOH B 176 -2.188 1.802 10.295 1.00 0.00 O
HETATM 841 H1 HOH B 176 -1.450 2.377 10.497 1.00 0.00 H
HETATM 842 H2 HOH B 176 -2.837 2.377 9.890 1.00 0.00 H
HETATM 843 OM HOH B 176 -2.178 1.924 10.273 1.00 0.00 EP
HETATM 844 O HOH B 177 7.317 2.468 -4.405 1.00 0.00 O
HETATM 845 H1 HOH B 177 7.513 3.389 -4.579 1.00 0.00 H
HETATM 846 H2 HOH B 177 7.260 2.411 -3.451 1.00 0.00 H
HETATM 847 OM HOH B 177 7.332 2.560 -4.322 1.00 0.00 EP
HETATM 848 O HOH B 178 -5.312 6.325 5.099 1.00 0.00 O
HETATM 849 H1 HOH B 178 -5.132 6.703 4.238 1.00 0.00 H
HETATM 850 H2 HOH B 178 -4.760 5.544 5.137 1.00 0.00 H
HETATM 851 OM HOH B 178 -5.234 6.282 5.011 1.00 0.00 EP
HETATM 852 O HOH B 179 -5.499 -7.526 -9.908 1.00 0.00 O
HETATM 853 H1 HOH B 179 -5.074 -6.846 -9.386 1.00 0.00 H
HETATM 854 H2 HOH B 179 -5.815 -8.160 -9.265 1.00 0.00 H
HETATM 855 OM HOH B 179 -5.488 -7.521 -9.784 1.00 0.00 EP
HETATM 856 O HOH B 180 7.359 2.234 -1.681 1.00 0.00 O
HETATM 857 H1 HOH B 180 6.529 2.170 -1.209 1.00 0.00 H
HETATM 858 H2 HOH B 180 7.899 2.810 -1.141 1.00 0.00 H
HETATM 859 OM HOH B 180 7.328 2.289 -1.573 1.00 0.00 EP
HETATM 860 O HOH B 181 -10.543 5.847 1.720 1.00 0.00 O
HETATM 861 H1 HOH B 181 -10.501 6.747 2.042 1.00 0.00 H
HETATM 862 H2 HOH B 181 -10.560 5.933 0.767 1.00 0.00 H
HETATM 863 OM HOH B 181 -10.540 5.952 1.652 1.00 0.00 EP
HETATM 864 O HOH B 182 0.252 8.790 3.009 1.00 0.00 O
HETATM 865 H1 HOH B 182 -0.280 9.367 3.556 1.00 0.00 H
HETATM 866 H2 HOH B 182 0.639 8.167 3.624 1.00 0.00 H
HETATM 867 OM HOH B 182 0.236 8.785 3.133 1.00 0.00 EP
HETATM 868 O HOH B 183 0.317 8.635 -4.913 1.00 0.00 O
HETATM 869 H1 HOH B 183 0.786 8.740 -5.741 1.00 0.00 H
HETATM 870 H2 HOH B 183 -0.437 8.088 -5.133 1.00 0.00 H
HETATM 871 OM HOH B 183 0.287 8.588 -5.025 1.00 0.00 EP
HETATM 872 O HOH B 184 -8.029 -6.717 -9.133 1.00 0.00 O
HETATM 873 H1 HOH B 184 -7.201 -6.844 -9.595 1.00 0.00 H
HETATM 874 H2 HOH B 184 -7.808 -6.146 -8.397 1.00 0.00 H
HETATM 875 OM HOH B 184 -7.917 -6.670 -9.103 1.00 0.00 EP
HETATM 876 O HOH B 185 5.966 11.258 -8.197 1.00 0.00 O
HETATM 877 H1 HOH B 185 5.058 10.955 -8.197 1.00 0.00 H
HETATM 878 H2 HOH B 185 5.912 12.181 -8.444 1.00 0.00 H
HETATM 879 OM HOH B 185 5.863 11.324 -8.223 1.00 0.00 EP
HETATM 880 O HOH B 186 -12.293 -8.659 -5.907 1.00 0.00 O
HETATM 881 H1 HOH B 186 -11.855 -9.509 -5.867 1.00 0.00 H
HETATM 882 H2 HOH B 186 -13.140 -8.844 -6.313 1.00 0.00 H
HETATM 883 OM HOH B 186 -12.336 -8.769 -5.946 1.00 0.00 EP
HETATM 884 O HOH B 187 3.254 11.060 9.334 1.00 0.00 O
HETATM 885 H1 HOH B 187 3.012 10.696 8.483 1.00 0.00 H
HETATM 886 H2 HOH B 187 4.020 11.606 9.152 1.00 0.00 H
HETATM 887 OM HOH B 187 3.310 11.080 9.224 1.00 0.00 EP
HETATM 888 O HOH B 188 -6.844 3.352 8.740 1.00 0.00 O
HETATM 889 H1 HOH B 188 -6.860 2.967 9.616 1.00 0.00 H
HETATM 890 H2 HOH B 188 -5.931 3.608 8.608 1.00 0.00 H
HETATM 891 OM HOH B 188 -6.748 3.338 8.820 1.00 0.00 EP
HETATM 892 O HOH B 189 -0.110 3.570 10.422 1.00 0.00 O
HETATM 893 H1 HOH B 189 0.525 2.968 10.034 1.00 0.00 H
HETATM 894 H2 HOH B 189 -0.483 4.038 9.675 1.00 0.00 H
HETATM 895 OM HOH B 189 -0.082 3.556 10.301 1.00 0.00 EP
HETATM 896 O HOH B 190 1.454 5.794 11.048 1.00 0.00 O
HETATM 897 H1 HOH B 190 0.860 5.050 11.148 1.00 0.00 H
HETATM 898 H2 HOH B 190 2.157 5.465 10.488 1.00 0.00 H
HETATM 899 OM HOH B 190 1.466 5.680 10.999 1.00 0.00 EP
HETATM 900 O HOH B 191 -7.192 7.105 -9.987 1.00 0.00 O
HETATM 901 H1 HOH B 191 -8.078 7.355 -10.251 1.00 0.00 H
HETATM 902 H2 HOH B 191 -6.707 7.930 -9.964 1.00 0.00 H
HETATM 903 OM HOH B 191 -7.235 7.219 -10.013 1.00 0.00 EP
HETATM 904 O HOH B 192 -1.959 7.090 3.231 1.00 0.00 O
HETATM 905 H1 HOH B 192 -1.626 6.270 3.597 1.00 0.00 H
HETATM 906 H2 HOH B 192 -1.184 7.529 2.882 1.00 0.00 H
HETATM 907 OM HOH B 192 -1.841 7.049 3.233 1.00 0.00 EP
HETATM 908 O HOH B 193 -3.079 -8.350 8.866 1.00 0.00 O
HETATM 909 H1 HOH B 193 -2.927 -7.457 8.559 1.00 0.00 H
HETATM 910 H2 HOH B 193 -2.241 -8.621 9.241 1.00 0.00 H
HETATM 911 OM HOH B 193 -2.973 -8.284 8.873 1.00 0.00 EP
HETATM 912 O HOH B 194 -6.146 9.906 -7.006 1.00 0.00 O
HETATM 913 H1 HOH B 194 -5.209 9.789 -7.162 1.00 0.00 H
HETATM 914 H2 HOH B 194 -6.321 9.409 -6.207 1.00 0.00 H
HETATM 915 OM HOH B 194 -6.065 9.841 -6.937 1.00 0.00 EP
HETATM 916 O HOH B 195 -9.049 10.537 -9.616 1.00 0.00 O
HETATM 917 H1 HOH B 195 -9.091 9.963 -8.852 1.00 0.00 H
HETATM 918 H2 HOH B 195 -9.187 11.416 -9.264 1.00 0.00 H
HETATM 919 OM HOH B 195 -9.068 10.570 -9.497 1.00 0.00 EP
HETATM 920 O HOH B 196 -8.998 7.824 10.268 1.00 0.00 O
HETATM 921 H1 HOH B 196 -8.749 6.900 10.293 1.00 0.00 H
HETATM 922 H2 HOH B 196 -8.171 8.293 10.158 1.00 0.00 H
HETATM 923 OM HOH B 196 -8.883 7.775 10.259 1.00 0.00 EP
HETATM 924 O HOH B 197 1.473 -10.698 9.269 1.00 0.00 O
HETATM 925 H1 HOH B 197 2.025 -11.467 9.410 1.00 0.00 H
HETATM 926 H2 HOH B 197 2.090 -9.975 9.160 1.00 0.00 H
HETATM 927 OM HOH B 197 1.597 -10.703 9.272 1.00 0.00 EP
HETATM 928 O HOH B 198 -4.163 6.882 7.597 1.00 0.00 O
HETATM 929 H1 HOH B 198 -4.531 6.713 6.729 1.00 0.00 H
HETATM 930 H2 HOH B 198 -4.027 6.013 7.974 1.00 0.00 H
HETATM 931 OM HOH B 198 -4.187 6.771 7.544 1.00 0.00 EP
HETATM 932 O HOH B 199 6.483 5.654 7.996 1.00 0.00 O
HETATM 933 H1 HOH B 199 6.968 5.557 7.176 1.00 0.00 H
HETATM 934 H2 HOH B 199 5.684 6.119 7.748 1.00 0.00 H
HETATM 935 OM HOH B 199 6.450 5.694 7.882 1.00 0.00 EP
HETATM 936 O HOH B 200 1.078 -9.609 6.677 1.00 0.00 O
HETATM 937 H1 HOH B 200 0.966 -10.305 7.325 1.00 0.00 H
HETATM 938 H2 HOH B 200 1.629 -8.960 7.115 1.00 0.00 H
HETATM 939 OM HOH B 200 1.125 -9.614 6.793 1.00 0.00 EP
HETATM 940 O HOH B 201 -3.691 10.097 8.794 1.00 0.00 O
HETATM 941 H1 HOH B 201 -3.007 9.668 8.280 1.00 0.00 H
HETATM 942 H2 HOH B 201 -3.229 10.765 9.299 1.00 0.00 H
HETATM 943 OM HOH B 201 -3.569 10.122 8.793 1.00 0.00 EP
HETATM 944 O HOH B 202 4.146 -3.018 -9.149 1.00 0.00 O
HETATM 945 H1 HOH B 202 5.091 -2.868 -9.172 1.00 0.00 H
HETATM 946 H2 HOH B 202 3.765 -2.193 -9.451 1.00 0.00 H
HETATM 947 OM HOH B 202 4.206 -2.914 -9.184 1.00 0.00 EP
HETATM 948 O HOH B 203 2.131 8.232 -6.971 1.00 0.00 O
HETATM 949 H1 HOH B 203 2.023 8.384 -7.910 1.00 0.00 H
HETATM 950 H2 HOH B 203 2.230 7.283 -6.892 1.00 0.00 H
HETATM 951 OM HOH B 203 2.130 8.147 -7.063 1.00 0.00 EP
HETATM 952 O HOH B 204 -3.695 -9.232 -10.995 1.00 0.00 O
HETATM 953 H1 HOH B 204 -2.828 -8.826 -11.004 1.00 0.00 H
HETATM 954 H2 HOH B 204 -4.272 -8.559 -10.634 1.00 0.00 H
HETATM 955 OM HOH B 204 -3.664 -9.117 -10.957 1.00 0.00 EP
HETATM 956 O HOH B 205 -7.468 -12.005 9.328 1.00 0.00 O
HETATM 957 H1 HOH B 205 -7.567 -11.117 9.672 1.00 0.00 H
HETATM 958 H2 HOH B 205 -8.307 -12.193 8.906 1.00 0.00 H
HETATM 959 OM HOH B 205 -7.568 -11.930 9.319 1.00 0.00 EP
HETATM 960 O HOH B 206 5.541 -5.212 2.183 1.00 0.00 O
HETATM 961 H1 HOH B 206 5.608 -4.432 1.632 1.00 0.00 H
HETATM 962 H2 HOH B 206 4.680 -5.143 2.594 1.00 0.00 H
HETATM 963 OM HOH B 206 5.457 -5.121 2.168 1.00 0.00 EP
HETATM 964 O HOH B 207 10.468 -3.100 1.701 1.00 0.00 O
HETATM 965 H1 HOH B 207 10.497 -2.187 1.415 1.00 0.00 H
HETATM 966 H2 HOH B 207 10.623 -3.606 0.904 1.00 0.00 H
HETATM 967 OM HOH B 207 10.487 -3.056 1.585 1.00 0.00 EP
HETATM 968 O HOH B 208 10.869 -4.449 -0.785 1.00 0.00 O
HETATM 969 H1 HOH B 208 10.368 -4.128 -1.535 1.00 0.00 H
HETATM 970 H2 HOH B 208 11.771 -4.187 -0.970 1.00 0.00 H
HETATM 971 OM HOH B 208 10.912 -4.387 -0.885 1.00 0.00 EP
HETATM 972 O HOH B 209 -8.487 -6.331 5.795 1.00 0.00 O
HETATM 973 H1 HOH B 209 -8.306 -5.394 5.869 1.00 0.00 H
HETATM 974 H2 HOH B 209 -9.240 -6.476 6.368 1.00 0.00 H
HETATM 975 OM HOH B 209 -8.548 -6.246 5.864 1.00 0.00 EP
HETATM 976 O HOH B 210 6.636 0.340 -9.154 1.00 0.00 O
HETATM 977 H1 HOH B 210 5.998 0.601 -9.818 1.00 0.00 H
HETATM 978 H2 HOH B 210 6.107 -0.019 -8.441 1.00 0.00 H
HETATM 979 OM HOH B 210 6.511 0.329 -9.149 1.00 0.00 EP
HETATM 980 O HOH B 211 5.683 -7.159 0.310 1.00 0.00 O
HETATM 981 H1 HOH B 211 6.018 -6.679 -0.447 1.00 0.00 H
HETATM 982 H2 HOH B 211 5.708 -6.525 1.027 1.00 0.00 H
HETATM 983 OM HOH B 211 5.721 -7.040 0.305 1.00 0.00 EP
HETATM 984 O HOH B 212 3.198 -5.582 -9.013 1.00 0.00 O
HETATM 985 H1 HOH B 212 2.328 -5.358 -8.682 1.00 0.00 H
HETATM 986 H2 HOH B 212 3.598 -4.739 -9.225 1.00 0.00 H
HETATM 987 OM HOH B 212 3.147 -5.468 -9.001 1.00 0.00 EP
HETATM 988 O HOH B 213 -9.982 8.485 2.396 1.00 0.00 O
HETATM 989 H1 HOH B 213 -10.868 8.680 2.703 1.00 0.00 H
HETATM 990 H2 HOH B 213 -9.415 9.041 2.929 1.00 0.00 H
HETATM 991 OM HOH B 213 -10.016 8.565 2.485 1.00 0.00 EP
HETATM 992 O HOH B 214 1.253 -1.111 7.438 1.00 0.00 O
HETATM 993 H1 HOH B 214 0.488 -1.034 8.007 1.00 0.00 H
HETATM 994 H2 HOH B 214 1.766 -0.323 7.616 1.00 0.00 H
HETATM 995 OM HOH B 214 1.226 -1.019 7.517 1.00 0.00 EP
HETATM 996 O HOH B 215 5.854 10.338 -2.641 1.00 0.00 O
HETATM 997 H1 HOH B 215 6.591 10.930 -2.488 1.00 0.00 H
HETATM 998 H2 HOH B 215 6.131 9.796 -3.380 1.00 0.00 H
HETATM 999 OM HOH B 215 5.962 10.343 -2.703 1.00 0.00 EP
HETATM 1000 O HOH B 216 2.573 -3.083 -6.884 1.00 0.00 O
HETATM 1001 H1 HOH B 216 3.187 -3.039 -7.617 1.00 0.00 H
HETATM 1002 H2 HOH B 216 1.831 -3.584 -7.223 1.00 0.00 H
HETATM 1003 OM HOH B 216 2.559 -3.132 -6.998 1.00 0.00 EP
HETATM 1004 O HOH B 217 -5.167 -9.441 7.201 1.00 0.00 O
HETATM 1005 H1 HOH B 217 -4.343 -9.163 7.601 1.00 0.00 H
HETATM 1006 H2 HOH B 217 -5.162 -10.395 7.281 1.00 0.00 H
HETATM 1007 OM HOH B 217 -5.078 -9.513 7.252 1.00 0.00 EP
HETATM 1008 O HOH B 218 -2.511 -5.842 7.744 1.00 0.00 O
HETATM 1009 H1 HOH B 218 -2.825 -5.095 7.233 1.00 0.00 H
HETATM 1010 H2 HOH B 218 -1.778 -5.495 8.252 1.00 0.00 H
HETATM 1011 OM HOH B 218 -2.467 -5.725 7.744 1.00 0.00 EP
HETATM 1012 O HOH B 219 8.010 5.203 5.755 1.00 0.00 O
HETATM 1013 H1 HOH B 219 7.617 4.928 4.926 1.00 0.00 H
HETATM 1014 H2 HOH B 219 8.481 4.430 6.065 1.00 0.00 H
HETATM 1015 OM HOH B 219 8.018 5.091 5.699 1.00 0.00 EP
HETATM 1016 O HOH B 220 -10.294 -8.750 -10.176 1.00 0.00 O
HETATM 1017 H1 HOH B 220 -10.449 -7.843 -10.443 1.00 0.00 H
HETATM 1018 H2 HOH B 220 -11.015 -9.242 -10.570 1.00 0.00 H
HETATM 1019 OM HOH B 220 -10.388 -8.705 -10.247 1.00 0.00 EP
HETATM 1020 O HOH B 221 7.462 0.362 -6.069 1.00 0.00 O
HETATM 1021 H1 HOH B 221 7.398 1.128 -5.499 1.00 0.00 H
HETATM 1022 H2 HOH B 221 8.140 0.592 -6.705 1.00 0.00 H
HETATM 1023 OM HOH B 221 7.527 0.468 -6.076 1.00 0.00 EP
HETATM 1024 O HOH B 222 -9.798 1.891 -4.640 1.00 0.00 O
HETATM 1025 H1 HOH B 222 -10.218 2.458 -5.286 1.00 0.00 H
HETATM 1026 H2 HOH B 222 -9.718 1.044 -5.080 1.00 0.00 H
HETATM 1027 OM HOH B 222 -9.835 1.861 -4.756 1.00 0.00 EP
HETATM 1028 O HOH B 223 8.127 5.812 -9.624 1.00 0.00 O
HETATM 1029 H1 HOH B 223 7.215 6.058 -9.470 1.00 0.00 H
HETATM 1030 H2 HOH B 223 8.627 6.600 -9.411 1.00 0.00 H
HETATM 1031 OM HOH B 223 8.083 5.923 -9.585 1.00 0.00 EP
HETATM 1032 O HOH B 224 6.406 -10.321 -2.403 1.00 0.00 O
HETATM 1033 H1 HOH B 224 6.255 -10.170 -1.470 1.00 0.00 H
HETATM 1034 H2 HOH B 224 7.117 -10.961 -2.431 1.00 0.00 H
HETATM 1035 OM HOH B 224 6.466 -10.373 -2.306 1.00 0.00 EP
HETATM 1036 O HOH B 225 8.650 -5.720 0.265 1.00 0.00 O
HETATM 1037 H1 HOH B 225 9.466 -5.357 -0.081 1.00 0.00 H
HETATM 1038 H2 HOH B 225 8.082 -5.807 -0.501 1.00 0.00 H
HETATM 1039 OM HOH B 225 8.676 -5.690 0.146 1.00 0.00 EP
HETATM 1040 O HOH B 226 11.378 8.552 3.064 1.00 0.00 O
HETATM 1041 H1 HOH B 226 11.022 8.072 3.812 1.00 0.00 H
HETATM 1042 H2 HOH B 226 10.618 8.737 2.513 1.00 0.00 H
HETATM 1043 OM HOH B 226 11.259 8.520 3.085 1.00 0.00 EP
HETATM 1044 O HOH B 227 -9.884 -1.213 -0.616 1.00 0.00 O
HETATM 1045 H1 HOH B 227 -9.188 -0.589 -0.411 1.00 0.00 H
HETATM 1046 H2 HOH B 227 -10.262 -0.891 -1.434 1.00 0.00 H
HETATM 1047 OM HOH B 227 -9.850 -1.112 -0.682 1.00 0.00 EP
HETATM 1048 O HOH B 228 8.378 11.692 -1.989 1.00 0.00 O
HETATM 1049 H1 HOH B 228 8.944 12.299 -1.512 1.00 0.00 H
HETATM 1050 H2 HOH B 228 8.368 10.900 -1.451 1.00 0.00 H
HETATM 1051 OM HOH B 228 8.437 11.672 -1.881 1.00 0.00 EP
HETATM 1052 O HOH B 229 -11.044 -7.335 -3.659 1.00 0.00 O
HETATM 1053 H1 HOH B 229 -11.556 -7.826 -4.300 1.00 0.00 H
HETATM 1054 H2 HOH B 229 -10.535 -6.716 -4.182 1.00 0.00 H
HETATM 1055 OM HOH B 229 -11.044 -7.321 -3.783 1.00 0.00 EP
HETATM 1056 O HOH B 230 -5.508 -11.307 1.073 1.00 0.00 O
HETATM 1057 H1 HOH B 230 -4.589 -11.048 1.141 1.00 0.00 H
HETATM 1058 H2 HOH B 230 -5.756 -11.079 0.177 1.00 0.00 H
HETATM 1059 OM HOH B 230 -5.437 -11.255 0.984 1.00 0.00 EP
HETATM 1060 O HOH B 231 -0.313 -5.592 -10.654 1.00 0.00 O
HETATM 1061 H1 HOH B 231 -0.875 -4.830 -10.796 1.00 0.00 H
HETATM 1062 H2 HOH B 231 0.164 -5.696 -11.477 1.00 0.00 H
HETATM 1063 OM HOH B 231 -0.322 -5.522 -10.757 1.00 0.00 EP
HETATM 1064 O HOH B 232 -2.948 -7.606 5.676 1.00 0.00 O
HETATM 1065 H1 HOH B 232 -2.826 -7.004 6.411 1.00 0.00 H
HETATM 1066 H2 HOH B 232 -2.063 -7.888 5.447 1.00 0.00 H
HETATM 1067 OM HOH B 232 -2.841 -7.572 5.730 1.00 0.00 EP
HETATM 1068 O HOH B 233 6.023 -9.882 0.272 1.00 0.00 O
HETATM 1069 H1 HOH B 233 6.558 -10.142 1.022 1.00 0.00 H
HETATM 1070 H2 HOH B 233 5.994 -8.927 0.318 1.00 0.00 H
HETATM 1071 OM HOH B 233 6.077 -9.808 0.357 1.00 0.00 EP
HETATM 1072 O HOH B 234 -8.149 5.001 2.682 1.00 0.00 O
HETATM 1073 H1 HOH B 234 -8.997 5.317 2.369 1.00 0.00 H
HETATM 1074 H2 HOH B 234 -8.119 5.267 3.601 1.00 0.00 H
HETATM 1075 OM HOH B 234 -8.236 5.063 2.747 1.00 0.00 EP
HETATM 1076 O HOH B 235 -8.623 -6.715 9.883 1.00 0.00 O
HETATM 1077 H1 HOH B 235 -7.877 -6.572 9.300 1.00 0.00 H
HETATM 1078 H2 HOH B 235 -8.483 -6.104 10.606 1.00 0.00 H
HETATM 1079 OM HOH B 235 -8.529 -6.634 9.898 1.00 0.00 EP
HETATM 1080 O HOH B 236 7.465 -0.796 0.289 1.00 0.00 O
HETATM 1081 H1 HOH B 236 7.445 0.085 0.663 1.00 0.00 H
HETATM 1082 H2 HOH B 236 7.686 -0.661 -0.633 1.00 0.00 H
HETATM 1083 OM HOH B 236 7.486 -0.687 0.230 1.00 0.00 EP
HETATM 1084 O HOH B 237 -10.451 -3.897 -1.047 1.00 0.00 O
HETATM 1085 H1 HOH B 237 -9.788 -4.222 -1.656 1.00 0.00 H
HETATM 1086 H2 HOH B 237 -10.244 -2.969 -0.939 1.00 0.00 H
HETATM 1087 OM HOH B 237 -10.358 -3.833 -1.100 1.00 0.00 EP
HETATM 1088 O HOH B 238 -7.874 -3.726 5.996 1.00 0.00 O
HETATM 1089 H1 HOH B 238 -7.045 -3.814 6.466 1.00 0.00 H
HETATM 1090 H2 HOH B 238 -8.430 -3.215 6.584 1.00 0.00 H
HETATM 1091 OM HOH B 238 -7.845 -3.681 6.109 1.00 0.00 EP
HETATM 1092 O HOH B 239 -6.540 -9.077 -7.923 1.00 0.00 O
HETATM 1093 H1 HOH B 239 -6.345 -8.495 -7.188 1.00 0.00 H
HETATM 1094 H2 HOH B 239 -6.496 -9.958 -7.550 1.00 0.00 H
HETATM 1095 OM HOH B 239 -6.514 -9.109 -7.805 1.00 0.00 EP
HETATM 1096 O HOH B 240 7.274 -8.122 -3.870 1.00 0.00 O
HETATM 1097 H1 HOH B 240 7.025 -8.875 -3.335 1.00 0.00 H
HETATM 1098 H2 HOH B 240 7.182 -7.370 -3.284 1.00 0.00 H
HETATM 1099 OM HOH B 240 7.238 -8.122 -3.751 1.00 0.00 EP
HETATM 1100 O HOH B 241 9.083 -3.792 -2.774 1.00 0.00 O
HETATM 1101 H1 HOH B 241 8.329 -4.361 -2.623 1.00 0.00 H
HETATM 1102 H2 HOH B 241 8.774 -3.146 -3.410 1.00 0.00 H
HETATM 1103 OM HOH B 241 8.970 -3.784 -2.826 1.00 0.00 EP
HETATM 1104 O HOH B 242 6.797 -5.387 -5.343 1.00 0.00 O
HETATM 1105 H1 HOH B 242 6.697 -5.443 -4.393 1.00 0.00 H
HETATM 1106 H2 HOH B 242 7.546 -5.950 -5.539 1.00 0.00 H
HETATM 1107 OM HOH B 242 6.867 -5.453 -5.263 1.00 0.00 EP
HETATM 1108 O HOH B 243 -8.461 5.152 10.013 1.00 0.00 O
HETATM 1109 H1 HOH B 243 -9.372 5.056 9.737 1.00 0.00 H
HETATM 1110 H2 HOH B 243 -7.976 4.541 9.459 1.00 0.00 H
HETATM 1111 OM HOH B 243 -8.506 5.077 9.925 1.00 0.00 EP
HETATM 1112 O HOH B 244 0.392 -8.009 0.019 1.00 0.00 O
HETATM 1113 H1 HOH B 244 1.317 -7.767 -0.011 1.00 0.00 H
HETATM 1114 H2 HOH B 244 0.368 -8.804 0.551 1.00 0.00 H
HETATM 1115 OM HOH B 244 0.488 -8.068 0.073 1.00 0.00 EP
HETATM 1116 O HOH B 245 -8.029 -6.136 3.041 1.00 0.00 O
HETATM 1117 H1 HOH B 245 -8.345 -6.142 3.944 1.00 0.00 H
HETATM 1118 H2 HOH B 245 -8.676 -5.615 2.564 1.00 0.00 H
HETATM 1119 OM HOH B 245 -8.132 -6.081 3.086 1.00 0.00 EP
HETATM 1120 O HOH B 246 -10.619 7.204 -3.575 1.00 0.00 O
HETATM 1121 H1 HOH B 246 -10.585 6.734 -2.742 1.00 0.00 H
HETATM 1122 H2 HOH B 246 -11.530 7.128 -3.857 1.00 0.00 H
HETATM 1123 OM HOH B 246 -10.712 7.146 -3.516 1.00 0.00 EP
HETATM 1124 O HOH B 247 -1.002 4.761 8.125 1.00 0.00 O
HETATM 1125 H1 HOH B 247 -0.632 4.137 7.500 1.00 0.00 H
HETATM 1126 H2 HOH B 247 -1.911 4.481 8.235 1.00 0.00 H
HETATM 1127 OM HOH B 247 -1.059 4.664 8.070 1.00 0.00 EP
HETATM 1128 O HOH B 248 8.166 -5.326 2.907 1.00 0.00 O
HETATM 1129 H1 HOH B 248 7.237 -5.107 2.830 1.00 0.00 H
HETATM 1130 H2 HOH B 248 8.444 -5.513 2.011 1.00 0.00 H
HETATM 1131 OM HOH B 248 8.097 -5.322 2.804 1.00 0.00 EP
HETATM 1132 O HOH B 249 -8.632 -1.158 -11.307 1.00 0.00 O
HETATM 1133 H1 HOH B 249 -8.994 -0.545 -10.667 1.00 0.00 H
HETATM 1134 H2 HOH B 249 -8.209 -0.601 -11.960 1.00 0.00 H
HETATM 1135 OM HOH B 249 -8.625 -1.033 -11.308 1.00 0.00 EP
HETATM 1136 O HOH B 250 3.022 6.335 -10.623 1.00 0.00 O
HETATM 1137 H1 HOH B 250 3.040 5.486 -10.181 1.00 0.00 H
HETATM 1138 H2 HOH B 250 2.566 6.166 -11.447 1.00 0.00 H
HETATM 1139 OM HOH B 250 2.975 6.227 -10.664 1.00 0.00 EP
HETATM 1140 O HOH B 251 8.618 2.490 5.340 1.00 0.00 O
HETATM 1141 H1 HOH B 251 8.121 2.850 4.606 1.00 0.00 H
HETATM 1142 H2 HOH B 251 8.017 1.874 5.758 1.00 0.00 H
HETATM 1143 OM HOH B 251 8.501 2.462 5.306 1.00 0.00 EP
HETATM 1144 O HOH B 252 8.547 -11.294 5.129 1.00 0.00 O
HETATM 1145 H1 HOH B 252 7.605 -11.194 5.263 1.00 0.00 H
HETATM 1146 H2 HOH B 252 8.929 -10.505 5.513 1.00 0.00 H
HETATM 1147 OM HOH B 252 8.487 -11.199 5.184 1.00 0.00 EP
HETATM 1148 O HOH B 253 -4.446 6.003 -5.691 1.00 0.00 O
HETATM 1149 H1 HOH B 253 -4.404 5.145 -5.268 1.00 0.00 H
HETATM 1150 H2 HOH B 253 -4.704 5.814 -6.593 1.00 0.00 H
HETATM 1151 OM HOH B 253 -4.469 5.891 -5.742 1.00 0.00 EP
HETATM 1152 O HOH B 254 -11.838 0.602 -7.643 1.00 0.00 O
HETATM 1153 H1 HOH B 254 -11.647 1.495 -7.356 1.00 0.00 H
HETATM 1154 H2 HOH B 254 -12.775 0.608 -7.837 1.00 0.00 H
HETATM 1155 OM HOH B 254 -11.918 0.698 -7.633 1.00 0.00 EP
HETATM 1156 O HOH B 255 8.556 -2.996 -6.959 1.00 0.00 O
HETATM 1157 H1 HOH B 255 9.478 -2.746 -7.030 1.00 0.00 H
HETATM 1158 H2 HOH B 255 8.301 -2.722 -6.078 1.00 0.00 H
HETATM 1159 OM HOH B 255 8.627 -2.940 -6.873 1.00 0.00 EP
HETATM 1160 O HOH B 256 3.951 -9.618 -6.165 1.00 0.00 O
HETATM 1161 H1 HOH B 256 3.826 -9.864 -5.248 1.00 0.00 H
HETATM 1162 H2 HOH B 256 4.886 -9.428 -6.237 1.00 0.00 H
HETATM 1163 OM HOH B 256 4.037 -9.624 -6.075 1.00 0.00 EP
HETATM 1164 O HOH B 257 6.158 -3.235 0.381 1.00 0.00 O
HETATM 1165 H1 HOH B 257 6.470 -2.365 0.132 1.00 0.00 H
HETATM 1166 H2 HOH B 257 6.437 -3.805 -0.335 1.00 0.00 H
HETATM 1167 OM HOH B 257 6.221 -3.203 0.278 1.00 0.00 EP
HETATM 1168 O HOH B 258 8.868 5.743 2.357 1.00 0.00 O
HETATM 1169 H1 HOH B 258 9.258 6.187 3.109 1.00 0.00 H
HETATM 1170 H2 HOH B 258 8.267 5.104 2.741 1.00 0.00 H
HETATM 1171 OM HOH B 258 8.845 5.722 2.478 1.00 0.00 EP
HETATM 1172 O HOH B 259 -9.831 -0.519 -5.873 1.00 0.00 O
HETATM 1173 H1 HOH B 259 -10.515 -0.349 -6.520 1.00 0.00 H
HETATM 1174 H2 HOH B 259 -9.041 -0.670 -6.393 1.00 0.00 H
HETATM 1175 OM HOH B 259 -9.820 -0.517 -5.998 1.00 0.00 EP
HETATM 1176 O HOH B 260 4.931 -3.163 -3.087 1.00 0.00 O
HETATM 1177 H1 HOH B 260 5.443 -3.860 -2.676 1.00 0.00 H
HETATM 1178 H2 HOH B 260 4.888 -2.474 -2.424 1.00 0.00 H
HETATM 1179 OM HOH B 260 4.981 -3.164 -2.972 1.00 0.00 EP
HETATM 1180 O HOH B 261 3.116 -7.835 -0.092 1.00 0.00 O
HETATM 1181 H1 HOH B 261 3.960 -7.438 0.126 1.00 0.00 H
HETATM 1182 H2 HOH B 261 3.119 -8.672 0.371 1.00 0.00 H
HETATM 1183 OM HOH B 261 3.207 -7.882 -0.019 1.00 0.00 EP
HETATM 1184 O HOH B 262 7.624 -5.126 -8.559 1.00 0.00 O
HETATM 1185 H1 HOH B 262 7.986 -4.545 -7.889 1.00 0.00 H
HETATM 1186 H2 HOH B 262 7.319 -4.536 -9.249 1.00 0.00 H
HETATM 1187 OM HOH B 262 7.630 -5.001 -8.561 1.00 0.00 EP
HETATM 1188 O HOH B 263 8.353 -8.378 5.974 1.00 0.00 O
HETATM 1189 H1 HOH B 263 7.833 -8.222 5.185 1.00 0.00 H
HETATM 1190 H2 HOH B 263 8.721 -7.522 6.192 1.00 0.00 H
HETATM 1191 OM HOH B 263 8.337 -8.270 5.913 1.00 0.00 EP
HETATM 1192 O HOH B 264 9.264 0.962 -8.100 1.00 0.00 O
HETATM 1193 H1 HOH B 264 9.167 1.914 -8.125 1.00 0.00 H
HETATM 1194 H2 HOH B 264 8.585 0.636 -8.690 1.00 0.00 H
HETATM 1195 OM HOH B 264 9.181 1.029 -8.166 1.00 0.00 EP
HETATM 1196 O HOH B 265 -7.147 -2.654 10.089 1.00 0.00 O
HETATM 1197 H1 HOH B 265 -7.214 -1.756 10.414 1.00 0.00 H
HETATM 1198 H2 HOH B 265 -6.206 -2.825 10.048 1.00 0.00 H
HETATM 1199 OM HOH B 265 -7.054 -2.577 10.119 1.00 0.00 EP
HETATM 1200 O HOH B 266 -7.654 -4.856 11.650 1.00 0.00 O
HETATM 1201 H1 HOH B 266 -7.547 -4.072 11.113 1.00 0.00 H
HETATM 1202 H2 HOH B 266 -7.942 -4.527 12.501 1.00 0.00 H
HETATM 1203 OM HOH B 266 -7.673 -4.738 11.684 1.00 0.00 EP
HETATM 1204 O HOH B 267 5.783 5.279 -6.638 1.00 0.00 O
HETATM 1205 H1 HOH B 267 5.707 4.373 -6.936 1.00 0.00 H
HETATM 1206 H2 HOH B 267 5.655 5.803 -7.429 1.00 0.00 H
HETATM 1207 OM HOH B 267 5.761 5.238 -6.754 1.00 0.00 EP
HETATM 1208 O HOH B 268 7.138 -4.679 11.557 1.00 0.00 O
HETATM 1209 H1 HOH B 268 7.888 -5.023 11.073 1.00 0.00 H
HETATM 1210 H2 HOH B 268 6.408 -5.243 11.301 1.00 0.00 H
HETATM 1211 OM HOH B 268 7.140 -4.776 11.478 1.00 0.00 EP
HETATM 1212 O HOH B 269 -10.733 -7.122 -7.567 1.00 0.00 O
HETATM 1213 H1 HOH B 269 -11.149 -6.730 -8.335 1.00 0.00 H
HETATM 1214 H2 HOH B 269 -11.438 -7.599 -7.129 1.00 0.00 H
HETATM 1215 OM HOH B 269 -10.853 -7.131 -7.602 1.00 0.00 EP
HETATM 1216 O HOH B 270 4.904 -5.776 9.906 1.00 0.00 O
HETATM 1217 H1 HOH B 270 4.235 -6.356 9.543 1.00 0.00 H
HETATM 1218 H2 HOH B 270 5.691 -5.969 9.395 1.00 0.00 H
HETATM 1219 OM HOH B 270 4.917 -5.859 9.813 1.00 0.00 EP
HETATM 1220 O HOH B 271 7.237 -6.304 8.565 1.00 0.00 O
HETATM 1221 H1 HOH B 271 7.419 -7.237 8.675 1.00 0.00 H
HETATM 1222 H2 HOH B 271 8.014 -5.865 8.912 1.00 0.00 H
HETATM 1223 OM HOH B 271 7.339 -6.357 8.614 1.00 0.00 EP
HETATM 1224 O HOH B 272 6.725 -2.893 9.555 1.00 0.00 O
HETATM 1225 H1 HOH B 272 6.892 -3.407 10.345 1.00 0.00 H
HETATM 1226 H2 HOH B 272 5.784 -2.723 9.574 1.00 0.00 H
HETATM 1227 OM HOH B 272 6.643 -2.929 9.641 1.00 0.00 EP
HETATM 1228 O HOH B 273 10.017 -0.423 1.112 1.00 0.00 O
HETATM 1229 H1 HOH B 273 9.168 -0.736 0.800 1.00 0.00 H
HETATM 1230 H2 HOH B 273 9.903 0.522 1.211 1.00 0.00 H
HETATM 1231 OM HOH B 273 9.915 -0.356 1.089 1.00 0.00 EP
HETATM 1232 O HOH B 274 9.358 -4.990 9.770 1.00 0.00 O
HETATM 1233 H1 HOH B 274 9.398 -4.136 9.340 1.00 0.00 H
HETATM 1234 H2 HOH B 274 10.160 -5.033 10.292 1.00 0.00 H
HETATM 1235 OM HOH B 274 9.448 -4.904 9.780 1.00 0.00 EP
HETATM 1236 O HOH B 275 -9.974 -2.048 2.055 1.00 0.00 O
HETATM 1237 H1 HOH B 275 -10.686 -1.640 2.548 1.00 0.00 H
HETATM 1238 H2 HOH B 275 -10.063 -1.697 1.169 1.00 0.00 H
HETATM 1239 OM HOH B 275 -10.059 -1.967 2.013 1.00 0.00 EP
HETATM 1240 O HOH B 276 8.176 1.730 1.312 1.00 0.00 O
HETATM 1241 H1 HOH B 276 8.402 2.565 0.901 1.00 0.00 H
HETATM 1242 H2 HOH B 276 7.456 1.942 1.905 1.00 0.00 H
HETATM 1243 OM HOH B 276 8.124 1.842 1.331 1.00 0.00 EP
HETATM 1244 O HOH B 277 -9.805 3.600 5.524 1.00 0.00 O
HETATM 1245 H1 HOH B 277 -9.263 4.384 5.438 1.00 0.00 H
HETATM 1246 H2 HOH B 277 -10.340 3.589 4.731 1.00 0.00 H
HETATM 1247 OM HOH B 277 -9.804 3.682 5.431 1.00 0.00 EP
HETATM 1248 O HOH B 278 -8.244 1.851 6.875 1.00 0.00 O
HETATM 1249 H1 HOH B 278 -7.689 2.405 7.425 1.00 0.00 H
HETATM 1250 H2 HOH B 278 -8.802 2.467 6.400 1.00 0.00 H
HETATM 1251 OM HOH B 278 -8.244 1.976 6.883 1.00 0.00 EP
HETATM 1252 O HOH B 279 6.244 -3.121 6.810 1.00 0.00 O
HETATM 1253 H1 HOH B 279 5.596 -2.417 6.800 1.00 0.00 H
HETATM 1254 H2 HOH B 279 6.479 -3.218 7.733 1.00 0.00 H
HETATM 1255 OM HOH B 279 6.200 -3.056 6.907 1.00 0.00 EP
HETATM 1256 O HOH B 280 4.223 -7.971 3.240 1.00 0.00 O
HETATM 1257 H1 HOH B 280 4.255 -8.138 4.182 1.00 0.00 H
HETATM 1258 H2 HOH B 280 3.745 -7.145 3.159 1.00 0.00 H
HETATM 1259 OM HOH B 280 4.175 -7.900 3.332 1.00 0.00 EP
HETATM 1260 O HOH B 281 -5.052 -8.759 10.696 1.00 0.00 O
HETATM 1261 H1 HOH B 281 -4.364 -8.657 10.039 1.00 0.00 H
HETATM 1262 H2 HOH B 281 -4.595 -9.070 11.477 1.00 0.00 H
HETATM 1263 OM HOH B 281 -4.930 -8.781 10.709 1.00 0.00 EP
HETATM 1264 O HOH B 282 -11.410 2.411 8.395 1.00 0.00 O
HETATM 1265 H1 HOH B 282 -11.626 2.234 7.479 1.00 0.00 H
HETATM 1266 H2 HOH B 282 -10.849 1.681 8.655 1.00 0.00 H
HETATM 1267 OM HOH B 282 -11.373 2.314 8.325 1.00 0.00 EP
HETATM 1268 O HOH B 283 -9.507 0.440 8.798 1.00 0.00 O
HETATM 1269 H1 HOH B 283 -8.842 0.379 9.484 1.00 0.00 H
HETATM 1270 H2 HOH B 283 -9.078 0.921 8.090 1.00 0.00 H
HETATM 1271 OM HOH B 283 -9.390 0.485 8.796 1.00 0.00 EP
HETATM 1272 O HOH B 284 -8.514 -3.600 -10.104 1.00 0.00 O
HETATM 1273 H1 HOH B 284 -8.591 -2.746 -10.531 1.00 0.00 H
HETATM 1274 H2 HOH B 284 -7.805 -3.489 -9.471 1.00 0.00 H
HETATM 1275 OM HOH B 284 -8.447 -3.497 -10.082 1.00 0.00 EP
HETATM 1276 O HOH B 285 1.689 -3.754 7.946 1.00 0.00 O
HETATM 1277 H1 HOH B 285 1.588 -2.860 7.618 1.00 0.00 H
HETATM 1278 H2 HOH B 285 2.100 -4.229 7.224 1.00 0.00 H
HETATM 1279 OM HOH B 285 1.722 -3.709 7.834 1.00 0.00 EP
HETATM 1280 O HOH B 286 5.705 3.789 9.859 1.00 0.00 O
HETATM 1281 H1 HOH B 286 6.177 4.032 10.655 1.00 0.00 H
HETATM 1282 H2 HOH B 286 6.074 4.354 9.180 1.00 0.00 H
HETATM 1283 OM HOH B 286 5.795 3.875 9.871 1.00 0.00 EP
HETATM 1284 O HOH B 287 -7.541 -9.319 4.725 1.00 0.00 O
HETATM 1285 H1 HOH B 287 -7.161 -10.194 4.812 1.00 0.00 H
HETATM 1286 H2 HOH B 287 -8.285 -9.319 5.327 1.00 0.00 H
HETATM 1287 OM HOH B 287 -7.579 -9.413 4.798 1.00 0.00 EP
HETATM 1288 O HOH B 288 -8.778 -8.634 -5.881 1.00 0.00 O
HETATM 1289 H1 HOH B 288 -8.169 -8.991 -5.234 1.00 0.00 H
HETATM 1290 H2 HOH B 288 -8.969 -7.750 -5.568 1.00 0.00 H
HETATM 1291 OM HOH B 288 -8.733 -8.578 -5.779 1.00 0.00 EP
HETATM 1292 O HOH B 289 9.253 -2.505 8.563 1.00 0.00 O
HETATM 1293 H1 HOH B 289 9.594 -1.616 8.663 1.00 0.00 H
HETATM 1294 H2 HOH B 289 8.358 -2.458 8.900 1.00 0.00 H
HETATM 1295 OM HOH B 289 9.193 -2.405 8.609 1.00 0.00 EP
HETATM 1296 O HOH B 290 10.131 4.935 -6.372 1.00 0.00 O
HETATM 1297 H1 HOH B 290 9.592 4.419 -6.971 1.00 0.00 H
HETATM 1298 H2 HOH B 290 10.872 5.225 -6.906 1.00 0.00 H
HETATM 1299 OM HOH B 290 10.153 4.911 -6.493 1.00 0.00 EP
HETATM 1300 O HOH B 291 5.900 -10.637 5.037 1.00 0.00 O
HETATM 1301 H1 HOH B 291 6.074 -10.551 4.100 1.00 0.00 H
HETATM 1302 H2 HOH B 291 5.562 -9.780 5.298 1.00 0.00 H
HETATM 1303 OM HOH B 291 5.883 -10.536 4.965 1.00 0.00 EP
HETATM 1304 O HOH B 292 3.815 -10.003 -3.369 1.00 0.00 O
HETATM 1305 H1 HOH B 292 4.733 -10.193 -3.176 1.00 0.00 H
HETATM 1306 H2 HOH B 292 3.719 -9.069 -3.184 1.00 0.00 H
HETATM 1307 OM HOH B 292 3.903 -9.924 -3.329 1.00 0.00 EP
HETATM 1308 O HOH B 293 3.831 -7.337 -2.663 1.00 0.00 O
HETATM 1309 H1 HOH B 293 4.659 -6.867 -2.567 1.00 0.00 H
HETATM 1310 H2 HOH B 293 3.536 -7.490 -1.765 1.00 0.00 H
HETATM 1311 OM HOH B 293 3.888 -7.303 -2.557 1.00 0.00 EP
HETATM 1312 O HOH B 294 4.519 -11.549 7.171 1.00 0.00 O
HETATM 1313 H1 HOH B 294 3.893 -12.218 6.894 1.00 0.00 H
HETATM 1314 H2 HOH B 294 5.027 -11.354 6.384 1.00 0.00 H
HETATM 1315 OM HOH B 294 4.506 -11.600 7.058 1.00 0.00 EP
HETATM 1316 O HOH B 295 6.595 -9.150 -6.335 1.00 0.00 O
HETATM 1317 H1 HOH B 295 6.891 -8.685 -5.552 1.00 0.00 H
HETATM 1318 H2 HOH B 295 6.831 -8.572 -7.061 1.00 0.00 H
HETATM 1319 OM HOH B 295 6.652 -9.038 -6.329 1.00 0.00 EP
HETATM 1320 O HOH B 296 9.452 -0.916 3.752 1.00 0.00 O
HETATM 1321 H1 HOH B 296 9.724 -0.613 2.886 1.00 0.00 H
HETATM 1322 H2 HOH B 296 8.668 -0.404 3.950 1.00 0.00 H
HETATM 1323 OM HOH B 296 9.397 -0.829 3.681 1.00 0.00 EP
HETATM 1324 O HOH B 297 -9.442 7.025 7.598 1.00 0.00 O
HETATM 1325 H1 HOH B 297 -9.339 7.389 8.477 1.00 0.00 H
HETATM 1326 H2 HOH B 297 -10.080 6.320 7.704 1.00 0.00 H
HETATM 1327 OM HOH B 297 -9.499 6.989 7.703 1.00 0.00 EP
HETATM 1328 O HOH B 298 4.959 6.704 -4.455 1.00 0.00 O
HETATM 1329 H1 HOH B 298 4.024 6.908 -4.479 1.00 0.00 H
HETATM 1330 H2 HOH B 298 5.109 6.173 -5.237 1.00 0.00 H
HETATM 1331 OM HOH B 298 4.875 6.669 -4.541 1.00 0.00 EP
HETATM 1332 O HOH B 299 9.133 8.790 -6.043 1.00 0.00 O
HETATM 1333 H1 HOH B 299 8.227 8.666 -5.760 1.00 0.00 H
HETATM 1334 H2 HOH B 299 9.425 9.573 -5.575 1.00 0.00 H
HETATM 1335 OM HOH B 299 9.067 8.860 -5.963 1.00 0.00 EP
HETATM 1336 O HOH B 300 8.884 8.473 1.769 1.00 0.00 O
HETATM 1337 H1 HOH B 300 8.757 8.714 0.851 1.00 0.00 H
HETATM 1338 H2 HOH B 300 8.826 7.517 1.776 1.00 0.00 H
HETATM 1339 OM HOH B 300 8.864 8.396 1.672 1.00 0.00 EP
HETATM 1340 O HOH B 301 10.037 10.230 -3.825 1.00 0.00 O
HETATM 1341 H1 HOH B 301 9.799 9.414 -3.384 1.00 0.00 H
HETATM 1342 H2 HOH B 301 9.544 10.906 -3.361 1.00 0.00 H
HETATM 1343 OM HOH B 301 9.959 10.215 -3.728 1.00 0.00 EP
HETATM 1344 O HOH B 302 -6.780 9.305 9.569 1.00 0.00 O
HETATM 1345 H1 HOH B 302 -7.245 9.315 8.732 1.00 0.00 H
HETATM 1346 H2 HOH B 302 -6.877 10.195 9.908 1.00 0.00 H
HETATM 1347 OM HOH B 302 -6.840 9.401 9.516 1.00 0.00 EP
HETATM 1348 O HOH B 303 7.645 5.540 -2.103 1.00 0.00 O
HETATM 1349 H1 HOH B 303 6.708 5.591 -1.916 1.00 0.00 H
HETATM 1350 H2 HOH B 303 7.692 5.253 -3.016 1.00 0.00 H
HETATM 1351 OM HOH B 303 7.550 5.515 -2.181 1.00 0.00 EP
HETATM 1352 O HOH B 304 8.293 9.269 -0.751 1.00 0.00 O
HETATM 1353 H1 HOH B 304 7.387 8.980 -0.646 1.00 0.00 H
HETATM 1354 H2 HOH B 304 8.657 8.681 -1.413 1.00 0.00 H
HETATM 1355 OM HOH B 304 8.235 9.175 -0.810 1.00 0.00 EP
HETATM 1356 O HOH B 305 9.568 7.228 4.722 1.00 0.00 O
HETATM 1357 H1 HOH B 305 9.242 8.075 5.026 1.00 0.00 H
HETATM 1358 H2 HOH B 305 9.067 6.584 5.223 1.00 0.00 H
HETATM 1359 OM HOH B 305 9.480 7.249 4.808 1.00 0.00 EP
HETATM 1360 O HOH B 306 6.928 8.563 -4.396 1.00 0.00 O
HETATM 1361 H1 HOH B 306 6.244 7.904 -4.508 1.00 0.00 H
HETATM 1362 H2 HOH B 306 7.601 8.126 -3.874 1.00 0.00 H
HETATM 1363 OM HOH B 306 6.927 8.446 -4.353 1.00 0.00 EP
HETATM 1364 O HOH B 307 8.703 4.113 0.013 1.00 0.00 O
HETATM 1365 H1 HOH B 307 8.833 4.680 0.774 1.00 0.00 H
HETATM 1366 H2 HOH B 307 8.391 4.702 -0.674 1.00 0.00 H
HETATM 1367 OM HOH B 307 8.683 4.236 0.021 1.00 0.00 EP
HETATM 1368 O HOH B 308 4.835 8.871 5.234 1.00 0.00 O
HETATM 1369 H1 HOH B 308 4.353 8.148 4.834 1.00 0.00 H
HETATM 1370 H2 HOH B 308 5.532 9.070 4.608 1.00 0.00 H
HETATM 1371 OM HOH B 308 4.858 8.815 5.124 1.00 0.00 EP
HETATM 1372 O HOH B 309 -10.976 5.032 8.919 1.00 0.00 O
HETATM 1373 H1 HOH B 309 -11.121 4.111 8.702 1.00 0.00 H
HETATM 1374 H2 HOH B 309 -11.808 5.324 9.292 1.00 0.00 H
HETATM 1375 OM HOH B 309 -11.080 4.965 8.936 1.00 0.00 EP
HETATM 1376 O HOH B 310 -4.207 10.485 4.752 1.00 0.00 O
HETATM 1377 H1 HOH B 310 -4.165 11.365 5.127 1.00 0.00 H
HETATM 1378 H2 HOH B 310 -3.306 10.163 4.794 1.00 0.00 H
HETATM 1379 OM HOH B 310 -4.106 10.545 4.796 1.00 0.00 EP
HETATM 1380 O HOH B 311 3.263 10.639 -8.246 1.00 0.00 O
HETATM 1381 H1 HOH B 311 2.912 10.107 -8.961 1.00 0.00 H
HETATM 1382 H2 HOH B 311 3.050 10.146 -7.453 1.00 0.00 H
HETATM 1383 OM HOH B 311 3.203 10.529 -8.238 1.00 0.00 EP
HETATM 1384 O HOH B 312 3.036 -5.444 3.248 1.00 0.00 O
HETATM 1385 H1 HOH B 312 2.783 -5.296 4.160 1.00 0.00 H
HETATM 1386 H2 HOH B 312 2.392 -4.951 2.738 1.00 0.00 H
HETATM 1387 OM HOH B 312 2.940 -5.376 3.291 1.00 0.00 EP
HETATM 1388 O HOH B 313 9.073 7.693 -2.823 1.00 0.00 O
HETATM 1389 H1 HOH B 313 8.629 6.912 -2.493 1.00 0.00 H
HETATM 1390 H2 HOH B 313 9.727 7.357 -3.435 1.00 0.00 H
HETATM 1391 OM HOH B 313 9.095 7.574 -2.853 1.00 0.00 EP
HETATM 1392 O HOH B 314 5.704 8.444 -0.643 1.00 0.00 O
HETATM 1393 H1 HOH B 314 5.496 7.597 -1.037 1.00 0.00 H
HETATM 1394 H2 HOH B 314 5.557 9.078 -1.345 1.00 0.00 H
HETATM 1395 OM HOH B 314 5.666 8.422 -0.760 1.00 0.00 EP
HETATM 1396 O HOH B 315 -10.943 -11.069 -5.804 1.00 0.00 O
HETATM 1397 H1 HOH B 315 -11.335 -11.941 -5.767 1.00 0.00 H
HETATM 1398 H2 HOH B 315 -10.390 -11.021 -5.025 1.00 0.00 H
HETATM 1399 OM HOH B 315 -10.926 -11.157 -5.717 1.00 0.00 EP
HETATM 1400 O HOH B 316 3.682 -10.668 -8.686 1.00 0.00 O
HETATM 1401 H1 HOH B 316 3.783 -10.368 -7.782 1.00 0.00 H
HETATM 1402 H2 HOH B 316 3.480 -11.600 -8.608 1.00 0.00 H
HETATM 1403 OM HOH B 316 3.671 -10.735 -8.581 1.00 0.00 EP
HETATM 1404 O HOH B 317 9.475 8.162 -8.692 1.00 0.00 O
HETATM 1405 H1 HOH B 317 10.386 8.416 -8.836 1.00 0.00 H
HETATM 1406 H2 HOH B 317 9.312 8.365 -7.771 1.00 0.00 H
HETATM 1407 OM HOH B 317 9.555 8.211 -8.609 1.00 0.00 EP
HETATM 1408 O HOH B 318 -11.648 10.320 -5.382 1.00 0.00 O
HETATM 1409 H1 HOH B 318 -11.821 9.703 -6.093 1.00 0.00 H
HETATM 1410 H2 HOH B 318 -12.427 10.272 -4.828 1.00 0.00 H
HETATM 1411 OM HOH B 318 -11.749 10.249 -5.399 1.00 0.00 EP
HETATM 1412 O HOH B 319 5.535 6.614 -9.038 1.00 0.00 O
HETATM 1413 H1 HOH B 319 4.821 6.520 -9.669 1.00 0.00 H
HETATM 1414 H2 HOH B 319 5.861 7.503 -9.176 1.00 0.00 H
HETATM 1415 OM HOH B 319 5.493 6.699 -9.120 1.00 0.00 EP
HETATM 1416 O HOH B 320 6.625 9.362 7.274 1.00 0.00 O
HETATM 1417 H1 HOH B 320 6.227 9.257 8.138 1.00 0.00 H
HETATM 1418 H2 HOH B 320 5.939 9.097 6.660 1.00 0.00 H
HETATM 1419 OM HOH B 320 6.509 9.323 7.300 1.00 0.00 EP
HETATM 1420 O HOH B 321 7.684 -8.938 8.631 1.00 0.00 O
HETATM 1421 H1 HOH B 321 7.871 -8.965 7.692 1.00 0.00 H
HETATM 1422 H2 HOH B 321 6.792 -9.275 8.707 1.00 0.00 H
HETATM 1423 OM HOH B 321 7.609 -8.977 8.539 1.00 0.00 EP
HETATM 1424 O HOH B 322 -9.558 8.072 -11.023 1.00 0.00 O
HETATM 1425 H1 HOH B 322 -9.563 8.990 -10.751 1.00 0.00 H
HETATM 1426 H2 HOH B 322 -9.489 8.105 -11.977 1.00 0.00 H
HETATM 1427 OM HOH B 322 -9.551 8.174 -11.096 1.00 0.00 EP
HETATM 1428 O HOH B 323 6.314 -9.675 11.503 1.00 0.00 O
HETATM 1429 H1 HOH B 323 5.766 -9.730 10.720 1.00 0.00 H
HETATM 1430 H2 HOH B 323 7.211 -9.682 11.169 1.00 0.00 H
HETATM 1431 OM HOH B 323 6.351 -9.682 11.384 1.00 0.00 EP
HETATM 1432 O HOH B 324 10.842 7.030 -4.740 1.00 0.00 O
HETATM 1433 H1 HOH B 324 10.690 6.189 -5.170 1.00 0.00 H
HETATM 1434 H2 HOH B 324 10.400 7.669 -5.300 1.00 0.00 H
HETATM 1435 OM HOH B 324 10.779 7.009 -4.846 1.00 0.00 EP
HETATM 1436 O HOH B 325 8.575 9.885 5.456 1.00 0.00 O
HETATM 1437 H1 HOH B 325 8.017 9.759 6.224 1.00 0.00 H
HETATM 1438 H2 HOH B 325 8.734 10.829 5.428 1.00 0.00 H
HETATM 1439 OM HOH B 325 8.533 9.972 5.535 1.00 0.00 EP
HETATM 1440 O HOH B 326 9.377 -9.225 -7.262 1.00 0.00 O
HETATM 1441 H1 HOH B 326 8.939 -8.686 -7.921 1.00 0.00 H
HETATM 1442 H2 HOH B 326 8.668 -9.706 -6.835 1.00 0.00 H
HETATM 1443 OM HOH B 326 9.255 -9.219 -7.287 1.00 0.00 EP
HETATM 1444 O HOH B 327 -8.519 -9.036 7.370 1.00 0.00 O
HETATM 1445 H1 HOH B 327 -8.198 -9.248 8.246 1.00 0.00 H
HETATM 1446 H2 HOH B 327 -9.279 -8.474 7.522 1.00 0.00 H
HETATM 1447 OM HOH B 327 -8.566 -8.999 7.479 1.00 0.00 EP
HETATM 1448 O HOH B 328 -10.399 -5.952 -10.240 1.00 0.00 O
HETATM 1449 H1 HOH B 328 -10.384 -5.012 -10.416 1.00 0.00 H
HETATM 1450 H2 HOH B 328 -9.528 -6.145 -9.892 1.00 0.00 H
HETATM 1451 OM HOH B 328 -10.304 -5.872 -10.221 1.00 0.00 EP
TER 1452 HOH B 328
HETATM 1453 Na NA C 1 1.890 10.225 -1.030 1.00 0.00 Na
HETATM 1454 Na NA C 2 -6.298 -7.598 2.667 1.00 0.00 Na
HETATM 1455 Na NA C 3 -8.580 -8.752 0.050 1.00 0.00 Na
HETATM 1456 Na NA C 4 -4.766 8.110 9.595 1.00 0.00 Na
HETATM 1457 Na NA C 5 -6.672 -7.830 6.444 1.00 0.00 Na
HETATM 1458 Na NA C 6 3.494 -3.691 -4.871 1.00 0.00 Na
HETATM 1459 Na NA C 7 9.050 -3.228 3.597 1.00 0.00 Na
HETATM 1460 Na NA C 8 -8.970 -8.727 -8.217 1.00 0.00 Na
HETATM 1461 Cl CL C 9 1.681 1.786 8.787 1.00 0.00 Cl
HETATM 1462 Cl CL C 10 -3.849 4.249 9.189 1.00 0.00 Cl
HETATM 1463 Cl CL C 11 2.861 -7.733 8.355 1.00 0.00 Cl
HETATM 1464 Cl CL C 12 3.080 3.665 -9.112 1.00 0.00 Cl
HETATM 1465 Cl CL C 13 6.575 -5.587 -2.154 1.00 0.00 Cl
HETATM 1466 Cl CL C 14 -6.793 -9.728 -3.822 1.00 0.00 Cl
TER 1467 CL C 14
END
wrappers/python/tests/systems/test_charmm_peptide_5.pdb 0 → 100644
View file @ be646878
REMARK 1 CREATED WITH OPENMM 8.3, 2025-07-01
CRYST1 24.000 24.000 24.000 90.00 90.00 90.00 P 1 1
ATOM 1 N GLY A 1 -6.286 -1.896 3.998 1.00 0.00 N
ATOM 2 CA GLY A 1 -6.591 -1.285 2.662 1.00 0.00 C
ATOM 3 C GLY A 1 -5.431 -1.333 1.708 1.00 0.00 C
ATOM 4 O GLY A 1 -4.439 -1.988 1.994 1.00 0.00 O
ATOM 5 H GLY A 1 -5.604 -1.349 4.587 1.00 0.00 H
ATOM 6 H2 GLY A 1 -5.852 -2.854 3.933 1.00 0.00 H
ATOM 7 H3 GLY A 1 -7.179 -1.992 4.577 1.00 0.00 H
ATOM 8 HA2 GLY A 1 -7.396 -1.856 2.223 1.00 0.00 H
ATOM 9 HA3 GLY A 1 -6.843 -0.248 2.828 1.00 0.00 H
ATOM 10 N TYR A 2 -5.504 -0.668 0.537 1.00 0.00 N
ATOM 11 CA TYR A 2 -4.352 -0.545 -0.350 1.00 0.00 C
ATOM 12 C TYR A 2 -3.556 0.728 -0.025 1.00 0.00 C
ATOM 13 O TYR A 2 -4.072 1.846 -0.107 1.00 0.00 O
ATOM 14 CB TYR A 2 -4.794 -0.606 -1.840 1.00 0.00 C
ATOM 15 CG TYR A 2 -3.617 -0.538 -2.783 1.00 0.00 C
ATOM 16 CD1 TYR A 2 -2.954 -1.708 -3.195 1.00 0.00 C
ATOM 17 CD2 TYR A 2 -3.167 0.701 -3.264 1.00 0.00 C
ATOM 18 CE1 TYR A 2 -1.846 -1.633 -4.052 1.00 0.00 C
ATOM 19 CE2 TYR A 2 -2.054 0.782 -4.108 1.00 0.00 C
ATOM 20 CZ TYR A 2 -1.394 -0.386 -4.499 1.00 0.00 C
ATOM 21 OH TYR A 2 -0.278 -0.309 -5.350 1.00 0.00 O
ATOM 22 H TYR A 2 -6.361 -0.230 0.228 1.00 0.00 H
ATOM 23 HA TYR A 2 -3.683 -1.380 -0.185 1.00 0.00 H
ATOM 24 HB2 TYR A 2 -5.333 -1.560 -2.023 1.00 0.00 H
ATOM 25 HB3 TYR A 2 -5.489 0.232 -2.064 1.00 0.00 H
ATOM 26 HD1 TYR A 2 -3.291 -2.669 -2.835 1.00 0.00 H
ATOM 27 HD2 TYR A 2 -3.662 1.606 -2.951 1.00 0.00 H
ATOM 28 HE1 TYR A 2 -1.329 -2.532 -4.358 1.00 0.00 H
ATOM 29 HE2 TYR A 2 -1.706 1.746 -4.449 1.00 0.00 H
ATOM 30 HH TYR A 2 0.019 0.633 -5.381 1.00 0.00 H
ATOM 31 N ASP A 3 -2.274 0.577 0.365 1.00 0.00 N
ATOM 32 CA ASP A 3 -1.483 1.641 0.959 1.00 0.00 C
ATOM 33 C ASP A 3 -0.505 2.276 -0.054 1.00 0.00 C
ATOM 34 O ASP A 3 0.286 1.554 -0.669 1.00 0.00 O
ATOM 35 CB ASP A 3 -0.795 1.045 2.221 1.00 0.00 C
ATOM 36 CG ASP A 3 0.075 1.990 3.030 1.00 0.00 C
ATOM 37 OD1 ASP A 3 0.460 3.081 2.542 1.00 0.00 O
ATOM 38 OD2 ASP A 3 0.400 1.619 4.183 1.00 0.00 O
ATOM 39 H ASP A 3 -1.834 -0.325 0.347 1.00 0.00 H
ATOM 40 HA ASP A 3 -2.161 2.397 1.319 1.00 0.00 H
ATOM 41 HB2 ASP A 3 -1.587 0.660 2.898 1.00 0.00 H
ATOM 42 HB3 ASP A 3 -0.165 0.183 1.926 1.00 0.00 H
ATOM 43 N PRO A 4 -0.501 3.600 -0.293 1.00 0.00 N
ATOM 44 CA PRO A 4 0.437 4.238 -1.212 1.00 0.00 C
ATOM 45 C PRO A 4 1.840 4.426 -0.638 1.00 0.00 C
ATOM 46 O PRO A 4 2.662 5.064 -1.299 1.00 0.00 O
ATOM 47 CB PRO A 4 -0.251 5.590 -1.468 1.00 0.00 C
ATOM 48 CG PRO A 4 -0.868 5.949 -0.115 1.00 0.00 C
ATOM 49 CD PRO A 4 -1.339 4.587 0.402 1.00 0.00 C
ATOM 50 HA PRO A 4 0.535 3.636 -2.104 1.00 0.00 H
ATOM 51 HB2 PRO A 4 0.428 6.368 -1.865 1.00 0.00 H
ATOM 52 HB3 PRO A 4 -1.072 5.428 -2.205 1.00 0.00 H
ATOM 53 HG2 PRO A 4 -0.082 6.352 0.562 1.00 0.00 H
ATOM 54 HG3 PRO A 4 -1.697 6.679 -0.202 1.00 0.00 H
ATOM 55 HD2 PRO A 4 -1.215 4.515 1.504 1.00 0.00 H
ATOM 56 HD3 PRO A 4 -2.403 4.410 0.142 1.00 0.00 H
ATOM 57 N GLU A 5 2.179 3.896 0.552 1.00 0.00 N
ATOM 58 CA GLU A 5 3.550 3.880 1.035 1.00 0.00 C
ATOM 59 C GLU A 5 4.121 2.536 0.634 1.00 0.00 C
ATOM 60 O GLU A 5 5.025 2.441 -0.196 1.00 0.00 O
ATOM 61 CB GLU A 5 3.606 4.058 2.578 1.00 0.00 C
ATOM 62 CG GLU A 5 4.888 4.764 3.102 1.00 0.00 C
ATOM 63 CD GLU A 5 6.185 3.958 3.143 1.00 0.00 C
ATOM 64 OE1 GLU A 5 6.267 2.782 2.715 1.00 0.00 O
ATOM 65 OE2 GLU A 5 7.174 4.559 3.639 1.00 0.00 O
ATOM 66 H GLU A 5 1.482 3.485 1.164 1.00 0.00 H
ATOM 67 HA GLU A 5 4.136 4.653 0.558 1.00 0.00 H
ATOM 68 HB2 GLU A 5 2.757 4.737 2.830 1.00 0.00 H
ATOM 69 HB3 GLU A 5 3.413 3.121 3.141 1.00 0.00 H
ATOM 70 HG2 GLU A 5 5.082 5.674 2.496 1.00 0.00 H
ATOM 71 HG3 GLU A 5 4.693 5.080 4.151 1.00 0.00 H
ATOM 72 N THR A 6 3.553 1.438 1.172 1.00 0.00 N
ATOM 73 CA THR A 6 3.998 0.081 0.891 1.00 0.00 C
ATOM 74 C THR A 6 3.866 -0.292 -0.576 1.00 0.00 C
ATOM 75 O THR A 6 4.740 -0.951 -1.142 1.00 0.00 O
ATOM 76 CB THR A 6 3.303 -0.994 1.734 1.00 0.00 C
ATOM 77 OG1 THR A 6 1.921 -1.109 1.430 1.00 0.00 O
ATOM 78 CG2 THR A 6 3.405 -0.658 3.228 1.00 0.00 C
ATOM 79 H THR A 6 2.793 1.530 1.813 1.00 0.00 H
ATOM 80 HA THR A 6 5.050 0.048 1.132 1.00 0.00 H
ATOM 81 HB THR A 6 3.798 -1.980 1.556 1.00 0.00 H
ATOM 82 HG1 THR A 6 1.697 -2.048 1.569 1.00 0.00 H
ATOM 83 HG21 THR A 6 4.462 -0.524 3.530 1.00 0.00 H
ATOM 84 HG22 THR A 6 2.967 -1.477 3.837 1.00 0.00 H
ATOM 85 HG23 THR A 6 2.846 0.271 3.469 1.00 0.00 H
ATOM 86 N GLY A 7 2.753 0.119 -1.224 1.00 0.00 N
ATOM 87 CA GLY A 7 2.343 -0.349 -2.541 1.00 0.00 C
ATOM 88 C GLY A 7 1.801 -1.748 -2.464 1.00 0.00 C
ATOM 89 O GLY A 7 1.986 -2.555 -3.373 1.00 0.00 O
ATOM 90 H GLY A 7 2.089 0.693 -0.732 1.00 0.00 H
ATOM 91 HA2 GLY A 7 1.538 0.288 -2.881 1.00 0.00 H
ATOM 92 HA3 GLY A 7 3.197 -0.352 -3.205 1.00 0.00 H
ATOM 93 N THR A 8 1.163 -2.084 -1.332 1.00 0.00 N
ATOM 94 CA THR A 8 0.666 -3.416 -1.028 1.00 0.00 C
ATOM 95 C THR A 8 -0.718 -3.288 -0.459 1.00 0.00 C
ATOM 96 O THR A 8 -1.162 -2.226 -0.023 1.00 0.00 O
ATOM 97 CB THR A 8 1.508 -4.242 -0.020 1.00 0.00 C
ATOM 98 OG1 THR A 8 1.431 -3.825 1.348 1.00 0.00 O
ATOM 99 CG2 THR A 8 2.978 -4.229 -0.440 1.00 0.00 C
ATOM 100 H THR A 8 1.050 -1.399 -0.609 1.00 0.00 H
ATOM 101 HA THR A 8 0.581 -3.975 -1.949 1.00 0.00 H
ATOM 102 HB THR A 8 1.167 -5.301 -0.050 1.00 0.00 H
ATOM 103 HG1 THR A 8 0.574 -4.154 1.684 1.00 0.00 H
ATOM 104 HG21 THR A 8 3.088 -4.587 -1.484 1.00 0.00 H
ATOM 105 HG22 THR A 8 3.570 -4.892 0.225 1.00 0.00 H
ATOM 106 HG23 THR A 8 3.402 -3.207 -0.367 1.00 0.00 H
ATOM 107 N TRP A 9 -1.435 -4.423 -0.398 1.00 0.00 N
ATOM 108 CA TRP A 9 -2.504 -4.583 0.560 1.00 0.00 C
ATOM 109 C TRP A 9 -1.994 -4.600 1.998 1.00 0.00 C
ATOM 110 O TRP A 9 -0.909 -5.109 2.292 1.00 0.00 O
ATOM 111 CB TRP A 9 -3.327 -5.855 0.262 1.00 0.00 C
ATOM 112 CG TRP A 9 -4.066 -5.764 -1.034 1.00 0.00 C
ATOM 113 CD1 TRP A 9 -3.746 -6.357 -2.226 1.00 0.00 C
ATOM 114 CD2 TRP A 9 -5.244 -4.976 -1.269 1.00 0.00 C
ATOM 115 NE1 TRP A 9 -4.670 -5.993 -3.179 1.00 0.00 N
ATOM 116 CE2 TRP A 9 -5.584 -5.146 -2.629 1.00 0.00 C
ATOM 117 CE3 TRP A 9 -6.039 -4.168 -0.452 1.00 0.00 C
ATOM 118 CZ2 TRP A 9 -6.669 -4.499 -3.191 1.00 0.00 C
ATOM 119 CZ3 TRP A 9 -7.140 -3.522 -1.020 1.00 0.00 C
ATOM 120 CH2 TRP A 9 -7.445 -3.676 -2.370 1.00 0.00 C
ATOM 121 H TRP A 9 -1.121 -5.263 -0.837 1.00 0.00 H
ATOM 122 HA TRP A 9 -3.156 -3.722 0.476 1.00 0.00 H
ATOM 123 HB2 TRP A 9 -2.647 -6.735 0.241 1.00 0.00 H
ATOM 124 HB3 TRP A 9 -4.069 -6.022 1.072 1.00 0.00 H
ATOM 125 HD1 TRP A 9 -2.898 -7.015 -2.381 1.00 0.00 H
ATOM 126 HE1 TRP A 9 -4.828 -6.470 -4.039 1.00 0.00 H
ATOM 127 HE3 TRP A 9 -5.802 -4.032 0.592 1.00 0.00 H
ATOM 128 HZ2 TRP A 9 -6.902 -4.613 -4.238 1.00 0.00 H
ATOM 129 HZ3 TRP A 9 -7.758 -2.877 -0.408 1.00 0.00 H
ATOM 130 HH2 TRP A 9 -8.290 -3.149 -2.795 1.00 0.00 H
ATOM 131 N GLY A 10 -2.776 -4.031 2.919 1.00 0.00 N
ATOM 132 CA GLY A 10 -2.531 -4.015 4.345 1.00 0.00 C
ATOM 133 C GLY A 10 -3.866 -3.998 5.090 1.00 0.00 C
ATOM 134 O GLY A 10 -3.837 -3.788 6.329 1.00 0.00 O
ATOM 135 OXT GLY A 10 -4.949 -4.177 4.465 1.00 0.00 O
ATOM 136 H GLY A 10 -3.597 -3.527 2.642 1.00 0.00 H
ATOM 137 HA2 GLY A 10 -2.000 -4.907 4.645 1.00 0.00 H
ATOM 138 HA3 GLY A 10 -2.008 -3.097 4.579 1.00 0.00 H
TER 139 GLY A 10
HETATM 140 O HOH B 1 5.801 3.536 -7.223 1.00 0.00 O
HETATM 141 H1 HOH B 1 5.589 2.814 -6.632 1.00 0.00 H
HETATM 142 H2 HOH B 1 5.132 3.493 -7.906 1.00 0.00 H
HETATM 143 LP1 HOH B 1 6.440 3.452 -7.497 1.00 0.00 EP
HETATM 144 LP2 HOH B 1 5.771 4.149 -6.886 1.00 0.00 EP
HETATM 145 O HOH B 2 5.254 -9.417 9.199 1.00 0.00 O
HETATM 146 H1 HOH B 2 4.957 -10.210 8.752 1.00 0.00 H
HETATM 147 H2 HOH B 2 4.514 -8.813 9.134 1.00 0.00 H
HETATM 148 LP1 HOH B 2 5.818 -9.151 8.882 1.00 0.00 EP
HETATM 149 LP2 HOH B 2 5.404 -9.552 9.869 1.00 0.00 EP
HETATM 150 O HOH B 3 -5.979 6.425 9.959 1.00 0.00 O
HETATM 151 H1 HOH B 3 -6.851 6.155 9.671 1.00 0.00 H
HETATM 152 H2 HOH B 3 -5.450 5.629 9.905 1.00 0.00 H
HETATM 153 LP1 HOH B 3 -5.999 6.664 10.617 1.00 0.00 EP
HETATM 154 LP2 HOH B 3 -5.722 6.922 9.538 1.00 0.00 EP
HETATM 155 O HOH B 4 -11.933 -0.344 -2.385 1.00 0.00 O
HETATM 156 H1 HOH B 4 -11.728 0.575 -2.557 1.00 0.00 H
HETATM 157 H2 HOH B 4 -11.860 -0.769 -3.240 1.00 0.00 H
HETATM 158 LP1 HOH B 4 -12.582 -0.409 -2.131 1.00 0.00 EP
HETATM 159 LP2 HOH B 4 -11.476 -0.619 -1.932 1.00 0.00 EP
HETATM 160 O HOH B 5 5.513 6.360 -1.845 1.00 0.00 O
HETATM 161 H1 HOH B 5 4.837 5.729 -1.597 1.00 0.00 H
HETATM 162 H2 HOH B 5 5.318 6.576 -2.756 1.00 0.00 H
HETATM 163 LP1 HOH B 5 6.150 6.074 -1.789 1.00 0.00 EP
HETATM 164 LP2 HOH B 5 5.478 6.931 -1.442 1.00 0.00 EP
HETATM 165 O HOH B 6 7.766 -1.882 -4.856 1.00 0.00 O
HETATM 166 H1 HOH B 6 7.519 -1.032 -5.221 1.00 0.00 H
HETATM 167 H2 HOH B 6 8.097 -1.681 -3.981 1.00 0.00 H
HETATM 168 LP1 HOH B 6 8.264 -2.183 -5.246 1.00 0.00 EP
HETATM 169 LP2 HOH B 6 7.211 -2.306 -4.819 1.00 0.00 EP
HETATM 170 O HOH B 7 6.099 9.618 -9.718 1.00 0.00 O
HETATM 171 H1 HOH B 7 6.464 10.251 -9.100 1.00 0.00 H
HETATM 172 H2 HOH B 7 6.747 9.569 -10.421 1.00 0.00 H
HETATM 173 LP1 HOH B 7 5.483 9.840 -9.965 1.00 0.00 EP
HETATM 174 LP2 HOH B 7 6.018 8.993 -9.413 1.00 0.00 EP
HETATM 175 O HOH B 8 -9.207 8.908 -6.802 1.00 0.00 O
HETATM 176 H1 HOH B 8 -8.276 8.781 -6.615 1.00 0.00 H
HETATM 177 H2 HOH B 8 -9.630 8.124 -6.451 1.00 0.00 H
HETATM 178 LP1 HOH B 8 -9.316 8.960 -7.492 1.00 0.00 EP
HETATM 179 LP2 HOH B 8 -9.447 9.483 -6.483 1.00 0.00 EP
HETATM 180 O HOH B 9 0.740 2.388 -10.541 1.00 0.00 O
HETATM 181 H1 HOH B 9 0.958 2.042 -11.407 1.00 0.00 H
HETATM 182 H2 HOH B 9 1.385 3.078 -10.389 1.00 0.00 H
HETATM 183 LP1 HOH B 9 0.793 1.887 -10.054 1.00 0.00 EP
HETATM 184 LP2 HOH B 9 0.091 2.650 -10.536 1.00 0.00 EP
HETATM 185 O HOH B 10 4.699 9.280 1.687 1.00 0.00 O
HETATM 186 H1 HOH B 10 5.378 9.808 2.109 1.00 0.00 H
HETATM 187 H2 HOH B 10 5.109 8.963 0.882 1.00 0.00 H
HETATM 188 LP1 HOH B 10 4.137 9.671 1.541 1.00 0.00 EP
HETATM 189 LP2 HOH B 10 4.512 8.745 2.097 1.00 0.00 EP
HETATM 190 O HOH B 11 0.464 10.040 -3.067 1.00 0.00 O
HETATM 191 H1 HOH B 11 0.545 10.857 -3.561 1.00 0.00 H
HETATM 192 H2 HOH B 11 0.512 9.353 -3.731 1.00 0.00 H
HETATM 193 LP1 HOH B 11 -0.149 10.016 -2.730 1.00 0.00 EP
HETATM 194 LP2 HOH B 11 0.987 9.977 -2.607 1.00 0.00 EP
HETATM 195 O HOH B 12 -9.303 -5.439 -5.238 1.00 0.00 O
HETATM 196 H1 HOH B 12 -9.654 -5.993 -5.935 1.00 0.00 H
HETATM 197 H2 HOH B 12 -8.382 -5.315 -5.469 1.00 0.00 H
HETATM 198 LP1 HOH B 12 -9.361 -5.756 -4.617 1.00 0.00 EP
HETATM 199 LP2 HOH B 12 -9.638 -4.824 -5.218 1.00 0.00 EP
HETATM 200 O HOH B 13 -7.306 -11.452 4.205 1.00 0.00 O
HETATM 201 H1 HOH B 13 -8.069 -12.015 4.335 1.00 0.00 H
HETATM 202 H2 HOH B 13 -6.575 -11.948 4.574 1.00 0.00 H
HETATM 203 LP1 HOH B 13 -7.387 -10.843 4.542 1.00 0.00 EP
HETATM 204 LP2 HOH B 13 -7.202 -11.329 3.523 1.00 0.00 EP
HETATM 205 O HOH B 14 -0.429 -7.758 5.660 1.00 0.00 O
HETATM 206 H1 HOH B 14 0.118 -7.029 5.953 1.00 0.00 H
HETATM 207 H2 HOH B 14 -0.031 -8.532 6.057 1.00 0.00 H
HETATM 208 LP1 HOH B 14 -0.423 -7.807 4.961 1.00 0.00 EP
HETATM 209 LP2 HOH B 14 -1.088 -7.677 5.882 1.00 0.00 EP
HETATM 210 O HOH B 15 1.203 -10.313 -3.995 1.00 0.00 O
HETATM 211 H1 HOH B 15 2.117 -10.110 -3.796 1.00 0.00 H
HETATM 212 H2 HOH B 15 1.129 -10.188 -4.941 1.00 0.00 H
HETATM 213 LP1 HOH B 15 0.774 -9.878 -3.653 1.00 0.00 EP
HETATM 214 LP2 HOH B 15 1.053 -10.974 -3.820 1.00 0.00 EP
HETATM 215 O HOH B 16 -4.221 -5.699 -7.913 1.00 0.00 O
HETATM 216 H1 HOH B 16 -3.756 -4.893 -8.139 1.00 0.00 H
HETATM 217 H2 HOH B 16 -3.562 -6.242 -7.480 1.00 0.00 H
HETATM 218 LP1 HOH B 16 -4.462 -6.015 -8.489 1.00 0.00 EP
HETATM 219 LP2 HOH B 16 -4.754 -5.564 -7.480 1.00 0.00 EP
HETATM 220 O HOH B 17 -2.581 -10.192 0.642 1.00 0.00 O
HETATM 221 H1 HOH B 17 -2.578 -10.077 -0.308 1.00 0.00 H
HETATM 222 H2 HOH B 17 -1.658 -10.154 0.892 1.00 0.00 H
HETATM 223 LP1 HOH B 17 -2.859 -10.811 0.816 1.00 0.00 EP
HETATM 224 LP2 HOH B 17 -2.942 -9.679 0.953 1.00 0.00 EP
HETATM 225 O HOH B 18 6.709 -8.371 -7.887 1.00 0.00 O
HETATM 226 H1 HOH B 18 6.150 -8.497 -8.654 1.00 0.00 H
HETATM 227 H2 HOH B 18 7.076 -7.494 -7.999 1.00 0.00 H
HETATM 228 LP1 HOH B 18 7.217 -8.852 -7.869 1.00 0.00 EP
HETATM 229 LP2 HOH B 18 6.332 -8.408 -7.298 1.00 0.00 EP
HETATM 230 O HOH B 19 7.002 10.111 2.895 1.00 0.00 O
HETATM 231 H1 HOH B 19 7.183 9.928 3.817 1.00 0.00 H
HETATM 232 H2 HOH B 19 7.714 9.680 2.421 1.00 0.00 H
HETATM 233 LP1 HOH B 19 7.007 10.801 2.775 1.00 0.00 EP
HETATM 234 LP2 HOH B 19 6.383 9.845 2.706 1.00 0.00 EP
HETATM 235 O HOH B 20 -6.327 -7.447 0.602 1.00 0.00 O
HETATM 236 H1 HOH B 20 -6.442 -6.578 0.217 1.00 0.00 H
HETATM 237 H2 HOH B 20 -5.657 -7.863 0.059 1.00 0.00 H
HETATM 238 LP1 HOH B 20 -6.925 -7.809 0.577 1.00 0.00 EP
HETATM 239 LP2 HOH B 20 -6.111 -7.397 1.266 1.00 0.00 EP
HETATM 240 O HOH B 21 0.827 -6.395 10.754 1.00 0.00 O
HETATM 241 H1 HOH B 21 1.486 -6.557 11.429 1.00 0.00 H
HETATM 242 H2 HOH B 21 1.250 -6.659 9.937 1.00 0.00 H
HETATM 243 LP1 HOH B 21 0.654 -5.717 10.735 1.00 0.00 EP
HETATM 244 LP2 HOH B 21 0.253 -6.778 10.871 1.00 0.00 EP
HETATM 245 O HOH B 22 2.468 6.673 -3.823 1.00 0.00 O
HETATM 246 H1 HOH B 22 2.261 5.740 -3.871 1.00 0.00 H
HETATM 247 H2 HOH B 22 1.758 7.101 -4.301 1.00 0.00 H
HETATM 248 LP1 HOH B 22 3.085 6.806 -4.125 1.00 0.00 EP
HETATM 249 LP2 HOH B 22 2.482 6.889 -3.157 1.00 0.00 EP
HETATM 250 O HOH B 23 -6.392 2.121 -4.289 1.00 0.00 O
HETATM 251 H1 HOH B 23 -6.063 1.222 -4.307 1.00 0.00 H
HETATM 252 H2 HOH B 23 -7.106 2.102 -3.651 1.00 0.00 H
HETATM 253 LP1 HOH B 23 -6.629 2.311 -4.920 1.00 0.00 EP
HETATM 254 LP2 HOH B 23 -5.890 2.564 -4.085 1.00 0.00 EP
HETATM 255 O HOH B 24 -6.124 6.194 0.960 1.00 0.00 O
HETATM 256 H1 HOH B 24 -6.591 5.497 1.421 1.00 0.00 H
HETATM 257 H2 HOH B 24 -5.437 6.465 1.569 1.00 0.00 H
HETATM 258 LP1 HOH B 24 -6.554 6.728 0.818 1.00 0.00 EP
HETATM 259 LP2 HOH B 24 -5.845 5.954 0.365 1.00 0.00 EP
HETATM 260 O HOH B 25 2.214 5.239 -6.896 1.00 0.00 O
HETATM 261 H1 HOH B 25 2.562 4.799 -7.672 1.00 0.00 H
HETATM 262 H2 HOH B 25 2.621 4.784 -6.159 1.00 0.00 H
HETATM 263 LP1 HOH B 25 1.517 5.178 -6.869 1.00 0.00 EP
HETATM 264 LP2 HOH B 25 2.389 5.917 -6.896 1.00 0.00 EP
HETATM 265 O HOH B 26 -6.389 -11.379 -6.627 1.00 0.00 O
HETATM 266 H1 HOH B 26 -6.215 -12.311 -6.757 1.00 0.00 H
HETATM 267 H2 HOH B 26 -6.131 -11.211 -5.720 1.00 0.00 H
HETATM 268 LP1 HOH B 26 -7.069 -11.239 -6.720 1.00 0.00 EP
HETATM 269 LP2 HOH B 26 -6.008 -10.991 -7.068 1.00 0.00 EP
HETATM 270 O HOH B 27 -2.186 10.305 -5.614 1.00 0.00 O
HETATM 271 H1 HOH B 27 -2.214 9.708 -4.866 1.00 0.00 H
HETATM 272 H2 HOH B 27 -1.276 10.280 -5.908 1.00 0.00 H
HETATM 273 LP1 HOH B 27 -2.366 10.953 -5.421 1.00 0.00 EP
HETATM 274 LP2 HOH B 27 -2.616 10.085 -6.122 1.00 0.00 EP
HETATM 275 O HOH B 28 -0.629 -7.698 -5.587 1.00 0.00 O
HETATM 276 H1 HOH B 28 -0.713 -7.981 -4.677 1.00 0.00 H
HETATM 277 H2 HOH B 28 -0.018 -8.324 -5.977 1.00 0.00 H
HETATM 278 LP1 HOH B 28 -0.373 -7.048 -5.622 1.00 0.00 EP
HETATM 279 LP2 HOH B 28 -1.249 -7.723 -5.912 1.00 0.00 EP
HETATM 280 O HOH B 29 -7.881 -8.062 -1.834 1.00 0.00 O
HETATM 281 H1 HOH B 29 -7.413 -8.566 -2.499 1.00 0.00 H
HETATM 282 H2 HOH B 29 -8.632 -7.693 -2.299 1.00 0.00 H
HETATM 283 LP1 HOH B 29 -7.475 -7.554 -1.577 1.00 0.00 EP
HETATM 284 LP2 HOH B 29 -8.093 -8.478 -1.312 1.00 0.00 EP
HETATM 285 O HOH B 30 -0.083 -7.936 -9.304 1.00 0.00 O
HETATM 286 H1 HOH B 30 -0.262 -7.194 -9.880 1.00 0.00 H
HETATM 287 H2 HOH B 30 0.594 -8.437 -9.760 1.00 0.00 H
HETATM 288 LP1 HOH B 30 -0.659 -8.324 -9.213 1.00 0.00 EP
HETATM 289 LP2 HOH B 30 0.150 -7.716 -8.681 1.00 0.00 EP
HETATM 290 O HOH B 31 -8.465 -2.074 5.456 1.00 0.00 O
HETATM 291 H1 HOH B 31 -8.358 -2.591 6.254 1.00 0.00 H
HETATM 292 H2 HOH B 31 -8.748 -1.213 5.764 1.00 0.00 H
HETATM 293 LP1 HOH B 31 -8.951 -2.359 5.040 1.00 0.00 EP
HETATM 294 LP2 HOH B 31 -7.859 -2.025 5.109 1.00 0.00 EP
HETATM 295 O HOH B 32 0.598 -2.249 -9.226 1.00 0.00 O
HETATM 296 H1 HOH B 32 0.811 -3.134 -8.932 1.00 0.00 H
HETATM 297 H2 HOH B 32 1.433 -1.782 -9.207 1.00 0.00 H
HETATM 298 LP1 HOH B 32 0.137 -1.948 -8.792 1.00 0.00 EP
HETATM 299 LP2 HOH B 32 0.335 -2.259 -9.874 1.00 0.00 EP
HETATM 300 O HOH B 33 -2.926 0.219 -9.710 1.00 0.00 O
HETATM 301 H1 HOH B 33 -2.421 0.985 -9.987 1.00 0.00 H
HETATM 302 H2 HOH B 33 -2.358 -0.228 -9.082 1.00 0.00 H
HETATM 303 LP1 HOH B 33 -3.065 -0.195 -10.256 1.00 0.00 EP
HETATM 304 LP2 HOH B 33 -3.525 0.415 -9.406 1.00 0.00 EP
HETATM 305 O HOH B 34 2.823 7.901 -1.527 1.00 0.00 O
HETATM 306 H1 HOH B 34 2.726 7.468 -2.376 1.00 0.00 H
HETATM 307 H2 HOH B 34 2.700 7.201 -0.886 1.00 0.00 H
HETATM 308 LP1 HOH B 34 2.337 8.398 -1.446 1.00 0.00 EP
HETATM 309 LP2 HOH B 34 3.459 8.184 -1.465 1.00 0.00 EP
HETATM 310 O HOH B 35 8.523 -0.803 -2.439 1.00 0.00 O
HETATM 311 H1 HOH B 35 8.018 0.009 -2.388 1.00 0.00 H
HETATM 312 H2 HOH B 35 9.436 -0.522 -2.381 1.00 0.00 H
HETATM 313 LP1 HOH B 35 8.403 -1.131 -3.046 1.00 0.00 EP
HETATM 314 LP2 HOH B 35 8.361 -1.228 -1.908 1.00 0.00 EP
HETATM 315 O HOH B 36 -2.472 0.012 6.828 1.00 0.00 O
HETATM 316 H1 HOH B 36 -1.737 -0.136 6.233 1.00 0.00 H
HETATM 317 H2 HOH B 36 -2.124 -0.192 7.696 1.00 0.00 H
HETATM 318 LP1 HOH B 36 -3.007 -0.411 6.670 1.00 0.00 EP
HETATM 319 LP2 HOH B 36 -2.685 0.678 6.797 1.00 0.00 EP
HETATM 320 O HOH B 37 -3.385 -3.232 -8.772 1.00 0.00 O
HETATM 321 H1 HOH B 37 -2.945 -3.232 -9.623 1.00 0.00 H
HETATM 322 H2 HOH B 37 -2.896 -2.597 -8.249 1.00 0.00 H
HETATM 323 LP1 HOH B 37 -3.358 -3.867 -8.480 1.00 0.00 EP
HETATM 324 LP2 HOH B 37 -4.053 -3.034 -8.840 1.00 0.00 EP
HETATM 325 O HOH B 38 -7.039 2.024 11.168 1.00 0.00 O
HETATM 326 H1 HOH B 38 -7.564 2.217 11.944 1.00 0.00 H
HETATM 327 H2 HOH B 38 -6.133 2.082 11.471 1.00 0.00 H
HETATM 328 LP1 HOH B 38 -7.161 2.494 10.663 1.00 0.00 EP
HETATM 329 LP2 HOH B 38 -7.179 1.382 10.928 1.00 0.00 EP
HETATM 330 O HOH B 39 -8.895 2.395 1.201 1.00 0.00 O
HETATM 331 H1 HOH B 39 -8.245 2.987 1.579 1.00 0.00 H
HETATM 332 H2 HOH B 39 -9.554 2.292 1.889 1.00 0.00 H
HETATM 333 LP1 HOH B 39 -8.605 1.777 1.043 1.00 0.00 EP
HETATM 334 LP2 HOH B 39 -9.180 2.673 0.626 1.00 0.00 EP
HETATM 335 O HOH B 40 -2.690 -9.821 -2.025 1.00 0.00 O
HETATM 336 H1 HOH B 40 -1.967 -9.363 -2.454 1.00 0.00 H
HETATM 337 H2 HOH B 40 -2.959 -10.489 -2.656 1.00 0.00 H
HETATM 338 LP1 HOH B 40 -3.217 -9.381 -1.891 1.00 0.00 EP
HETATM 339 LP2 HOH B 40 -2.476 -10.117 -1.428 1.00 0.00 EP
HETATM 340 O HOH B 41 -6.143 -6.826 8.555 1.00 0.00 O
HETATM 341 H1 HOH B 41 -5.419 -7.220 9.042 1.00 0.00 H
HETATM 342 H2 HOH B 41 -5.904 -5.903 8.473 1.00 0.00 H
HETATM 343 LP1 HOH B 41 -6.744 -6.895 8.907 1.00 0.00 EP
HETATM 344 LP2 HOH B 41 -6.207 -7.122 7.924 1.00 0.00 EP
HETATM 345 O HOH B 42 3.654 -2.924 9.727 1.00 0.00 O
HETATM 346 H1 HOH B 42 2.808 -3.124 9.327 1.00 0.00 H
HETATM 347 H2 HOH B 42 4.049 -3.779 9.894 1.00 0.00 H
HETATM 348 LP1 HOH B 42 3.567 -2.570 10.325 1.00 0.00 EP
HETATM 349 LP2 HOH B 42 4.052 -2.549 9.290 1.00 0.00 EP
HETATM 350 O HOH B 43 4.059 -8.662 5.942 1.00 0.00 O
HETATM 351 H1 HOH B 43 4.848 -8.214 6.248 1.00 0.00 H
HETATM 352 H2 HOH B 43 3.438 -8.573 6.665 1.00 0.00 H
HETATM 353 LP1 HOH B 43 4.192 -9.336 5.812 1.00 0.00 EP
HETATM 354 LP2 HOH B 43 3.810 -8.357 5.364 1.00 0.00 EP
HETATM 355 O HOH B 44 8.723 -3.045 5.856 1.00 0.00 O
HETATM 356 H1 HOH B 44 7.822 -2.870 6.126 1.00 0.00 H
HETATM 357 H2 HOH B 44 9.260 -2.678 6.559 1.00 0.00 H
HETATM 358 LP1 HOH B 44 8.865 -2.730 5.247 1.00 0.00 EP
HETATM 359 LP2 HOH B 44 8.834 -3.733 5.795 1.00 0.00 EP
HETATM 360 O HOH B 45 -5.684 3.567 -9.908 1.00 0.00 O
HETATM 361 H1 HOH B 45 -5.561 2.729 -9.463 1.00 0.00 H
HETATM 362 H2 HOH B 45 -5.216 3.471 -10.737 1.00 0.00 H
HETATM 363 LP1 HOH B 45 -5.412 4.090 -9.529 1.00 0.00 EP
HETATM 364 LP2 HOH B 45 -6.364 3.690 -10.020 1.00 0.00 EP
HETATM 365 O HOH B 46 -2.900 -7.795 -6.866 1.00 0.00 O
HETATM 366 H1 HOH B 46 -2.072 -7.706 -6.394 1.00 0.00 H
HETATM 367 H2 HOH B 46 -2.743 -8.498 -7.496 1.00 0.00 H
HETATM 368 LP1 HOH B 46 -3.063 -7.199 -7.195 1.00 0.00 EP
HETATM 369 LP2 HOH B 46 -3.418 -7.968 -6.427 1.00 0.00 EP
HETATM 370 O HOH B 47 -0.509 -4.321 9.351 1.00 0.00 O
HETATM 371 H1 HOH B 47 0.208 -3.950 8.837 1.00 0.00 H
HETATM 372 H2 HOH B 47 -0.081 -4.918 9.965 1.00 0.00 H
HETATM 373 LP1 HOH B 47 -0.955 -4.669 8.938 1.00 0.00 EP
HETATM 374 LP2 HOH B 47 -0.854 -3.818 9.694 1.00 0.00 EP
HETATM 375 O HOH B 48 7.873 4.715 -4.486 1.00 0.00 O
HETATM 376 H1 HOH B 48 8.690 4.672 -4.984 1.00 0.00 H
HETATM 377 H2 HOH B 48 7.306 5.286 -5.004 1.00 0.00 H
HETATM 378 LP1 HOH B 48 7.984 4.987 -3.851 1.00 0.00 EP
HETATM 379 LP2 HOH B 48 7.590 4.078 -4.421 1.00 0.00 EP
HETATM 380 O HOH B 49 -8.047 0.314 -0.324 1.00 0.00 O
HETATM 381 H1 HOH B 49 -8.352 0.987 0.285 1.00 0.00 H
HETATM 382 H2 HOH B 49 -7.996 0.761 -1.169 1.00 0.00 H
HETATM 383 LP1 HOH B 49 -8.500 -0.218 -0.352 1.00 0.00 EP
HETATM 384 LP2 HOH B 49 -7.417 0.075 -0.133 1.00 0.00 EP
HETATM 385 O HOH B 50 -7.577 -10.947 -0.797 1.00 0.00 O
HETATM 386 H1 HOH B 50 -6.923 -10.822 -1.485 1.00 0.00 H
HETATM 387 H2 HOH B 50 -8.287 -11.424 -1.225 1.00 0.00 H
HETATM 388 LP1 HOH B 50 -7.804 -10.329 -0.556 1.00 0.00 EP
HETATM 389 LP2 HOH B 50 -7.311 -11.320 -0.268 1.00 0.00 EP
HETATM 390 O HOH B 51 -9.899 3.302 -1.042 1.00 0.00 O
HETATM 391 H1 HOH B 51 -9.628 3.019 -0.168 1.00 0.00 H
HETATM 392 H2 HOH B 51 -9.942 4.257 -0.981 1.00 0.00 H
HETATM 393 LP1 HOH B 51 -10.525 3.036 -1.206 1.00 0.00 EP
HETATM 394 LP2 HOH B 51 -9.429 3.106 -1.522 1.00 0.00 EP
HETATM 395 O HOH B 52 -4.170 3.078 -7.076 1.00 0.00 O
HETATM 396 H1 HOH B 52 -3.882 3.124 -6.164 1.00 0.00 H
HETATM 397 H2 HOH B 52 -3.502 3.560 -7.563 1.00 0.00 H
HETATM 398 LP1 HOH B 52 -4.797 3.379 -7.153 1.00 0.00 EP
HETATM 399 LP2 HOH B 52 -4.202 2.413 -7.292 1.00 0.00 EP
HETATM 400 O HOH B 53 -3.998 3.532 4.629 1.00 0.00 O
HETATM 401 H1 HOH B 53 -4.201 2.954 5.365 1.00 0.00 H
HETATM 402 H2 HOH B 53 -3.058 3.421 4.489 1.00 0.00 H
HETATM 403 LP1 HOH B 53 -4.148 4.197 4.789 1.00 0.00 EP
HETATM 404 LP2 HOH B 53 -4.358 3.343 4.059 1.00 0.00 EP
HETATM 405 O HOH B 54 -3.759 -8.381 2.305 1.00 0.00 O
HETATM 406 H1 HOH B 54 -3.494 -9.048 1.672 1.00 0.00 H
HETATM 407 H2 HOH B 54 -2.951 -8.152 2.764 1.00 0.00 H
HETATM 408 LP1 HOH B 54 -4.232 -8.638 2.752 1.00 0.00 EP
HETATM 409 LP2 HOH B 54 -4.025 -7.822 1.979 1.00 0.00 EP
HETATM 410 O HOH B 55 0.050 10.306 -7.119 1.00 0.00 O
HETATM 411 H1 HOH B 55 -0.004 9.724 -7.878 1.00 0.00 H
HETATM 412 H2 HOH B 55 0.138 11.182 -7.494 1.00 0.00 H
HETATM 413 LP1 HOH B 55 0.608 10.148 -6.726 1.00 0.00 EP
HETATM 414 LP2 HOH B 55 -0.530 10.259 -6.730 1.00 0.00 EP
HETATM 415 O HOH B 56 -8.188 8.904 6.730 1.00 0.00 O
HETATM 416 H1 HOH B 56 -7.579 8.815 5.997 1.00 0.00 H
HETATM 417 H2 HOH B 56 -8.738 8.122 6.680 1.00 0.00 H
HETATM 418 LP1 HOH B 56 -8.575 9.483 6.662 1.00 0.00 EP
HETATM 419 LP2 HOH B 56 -7.842 8.925 7.338 1.00 0.00 EP
HETATM 420 O HOH B 57 5.656 -3.334 -5.697 1.00 0.00 O
HETATM 421 H1 HOH B 57 6.325 -2.936 -5.139 1.00 0.00 H
HETATM 422 H2 HOH B 57 6.018 -4.188 -5.934 1.00 0.00 H
HETATM 423 LP1 HOH B 57 5.547 -2.945 -6.268 1.00 0.00 EP
HETATM 424 LP2 HOH B 57 5.055 -3.409 -5.347 1.00 0.00 EP
HETATM 425 O HOH B 58 -6.857 3.469 -6.574 1.00 0.00 O
HETATM 426 H1 HOH B 58 -6.007 3.487 -7.014 1.00 0.00 H
HETATM 427 H2 HOH B 58 -6.721 2.903 -5.814 1.00 0.00 H
HETATM 428 LP1 HOH B 58 -7.349 3.204 -6.995 1.00 0.00 EP
HETATM 429 LP2 HOH B 58 -7.045 4.113 -6.372 1.00 0.00 EP
HETATM 430 O HOH B 59 2.942 -0.794 -8.771 1.00 0.00 O
HETATM 431 H1 HOH B 59 3.609 -1.020 -8.122 1.00 0.00 H
HETATM 432 H2 HOH B 59 2.436 -0.092 -8.361 1.00 0.00 H
HETATM 433 LP1 HOH B 59 2.534 -1.345 -8.909 1.00 0.00 EP
HETATM 434 LP2 HOH B 59 3.240 -0.570 -9.364 1.00 0.00 EP
HETATM 435 O HOH B 60 -2.954 7.453 10.052 1.00 0.00 O
HETATM 436 H1 HOH B 60 -3.085 6.629 10.522 1.00 0.00 H
HETATM 437 H2 HOH B 60 -2.141 7.325 9.564 1.00 0.00 H
HETATM 438 LP1 HOH B 60 -2.893 7.986 10.501 1.00 0.00 EP
HETATM 439 LP2 HOH B 60 -3.488 7.576 9.616 1.00 0.00 EP
HETATM 440 O HOH B 61 -2.732 7.151 -8.583 1.00 0.00 O
HETATM 441 H1 HOH B 61 -3.535 6.658 -8.753 1.00 0.00 H
HETATM 442 H2 HOH B 61 -3.026 7.939 -8.126 1.00 0.00 H
HETATM 443 LP1 HOH B 61 -2.412 7.317 -9.183 1.00 0.00 EP
HETATM 444 LP2 HOH B 61 -2.295 6.780 -8.180 1.00 0.00 EP
HETATM 445 O HOH B 62 1.104 -9.467 -6.517 1.00 0.00 O
HETATM 446 H1 HOH B 62 1.859 -9.062 -6.944 1.00 0.00 H
HETATM 447 H2 HOH B 62 0.770 -10.092 -7.161 1.00 0.00 H
HETATM 448 LP1 HOH B 62 0.619 -8.986 -6.364 1.00 0.00 EP
HETATM 449 LP2 HOH B 62 1.299 -9.796 -5.931 1.00 0.00 EP
HETATM 450 O HOH B 63 -3.609 4.037 -2.023 1.00 0.00 O
HETATM 451 H1 HOH B 63 -4.187 4.756 -1.766 1.00 0.00 H
HETATM 452 H2 HOH B 63 -3.772 3.354 -1.373 1.00 0.00 H
HETATM 453 LP1 HOH B 63 -2.939 4.240 -2.006 1.00 0.00 EP
HETATM 454 LP2 HOH B 63 -3.768 3.810 -2.666 1.00 0.00 EP
HETATM 455 O HOH B 64 -1.653 -3.102 -10.856 1.00 0.00 O
HETATM 456 H1 HOH B 64 -1.888 -2.772 -11.724 1.00 0.00 H
HETATM 457 H2 HOH B 64 -0.955 -2.519 -10.558 1.00 0.00 H
HETATM 458 LP1 HOH B 64 -1.423 -3.762 -10.897 1.00 0.00 EP
HETATM 459 LP2 HOH B 64 -2.202 -3.072 -10.423 1.00 0.00 EP
HETATM 460 O HOH B 65 1.364 7.819 7.001 1.00 0.00 O
HETATM 461 H1 HOH B 65 0.602 7.446 7.444 1.00 0.00 H
HETATM 462 H2 HOH B 65 1.193 7.677 6.070 1.00 0.00 H
HETATM 463 LP1 HOH B 65 1.950 7.490 7.198 1.00 0.00 EP
HETATM 464 LP2 HOH B 65 1.422 8.502 7.141 1.00 0.00 EP
HETATM 465 O HOH B 66 2.810 -5.564 -4.563 1.00 0.00 O
HETATM 466 H1 HOH B 66 3.333 -5.973 -5.253 1.00 0.00 H
HETATM 467 H2 HOH B 66 2.961 -6.112 -3.792 1.00 0.00 H
HETATM 468 LP1 HOH B 66 2.132 -5.561 -4.735 1.00 0.00 EP
HETATM 469 LP2 HOH B 66 3.024 -4.908 -4.446 1.00 0.00 EP
HETATM 470 O HOH B 67 -8.559 -11.980 -3.138 1.00 0.00 O
HETATM 471 H1 HOH B 67 -8.401 -12.919 -3.238 1.00 0.00 H
HETATM 472 H2 HOH B 67 -7.736 -11.569 -3.402 1.00 0.00 H
HETATM 473 LP1 HOH B 67 -8.711 -11.825 -2.472 1.00 0.00 EP
HETATM 474 LP2 HOH B 67 -9.083 -11.772 -3.552 1.00 0.00 EP
HETATM 475 O HOH B 68 -8.467 1.830 -2.642 1.00 0.00 O
HETATM 476 H1 HOH B 68 -9.139 1.520 -3.250 1.00 0.00 H
HETATM 477 H2 HOH B 68 -8.911 2.491 -2.111 1.00 0.00 H
HETATM 478 LP1 HOH B 68 -7.930 2.113 -2.991 1.00 0.00 EP
HETATM 479 LP2 HOH B 68 -8.235 1.305 -2.242 1.00 0.00 EP
HETATM 480 O HOH B 69 -6.312 0.459 7.372 1.00 0.00 O
HETATM 481 H1 HOH B 69 -5.740 1.214 7.235 1.00 0.00 H
HETATM 482 H2 HOH B 69 -5.805 -0.287 7.052 1.00 0.00 H
HETATM 483 LP1 HOH B 69 -6.906 0.529 7.008 1.00 0.00 EP
HETATM 484 LP2 HOH B 69 -6.463 0.383 8.051 1.00 0.00 EP
HETATM 485 O HOH B 70 -6.709 -9.946 1.989 1.00 0.00 O
HETATM 486 H1 HOH B 70 -7.101 -10.517 2.651 1.00 0.00 H
HETATM 487 H2 HOH B 70 -6.029 -10.483 1.582 1.00 0.00 H
HETATM 488 LP1 HOH B 70 -6.431 -9.377 2.287 1.00 0.00 EP
HETATM 489 LP2 HOH B 70 -7.187 -9.752 1.516 1.00 0.00 EP
HETATM 490 O HOH B 71 6.414 -10.302 2.994 1.00 0.00 O
HETATM 491 H1 HOH B 71 7.251 -10.703 3.229 1.00 0.00 H
HETATM 492 H2 HOH B 71 6.528 -9.373 3.192 1.00 0.00 H
HETATM 493 LP1 HOH B 71 5.894 -10.574 3.375 1.00 0.00 EP
HETATM 494 LP2 HOH B 71 6.278 -10.395 2.314 1.00 0.00 EP
HETATM 495 O HOH B 72 -0.316 4.563 -6.362 1.00 0.00 O
HETATM 496 H1 HOH B 72 -0.674 5.201 -5.745 1.00 0.00 H
HETATM 497 H2 HOH B 72 0.522 4.937 -6.635 1.00 0.00 H
HETATM 498 LP1 HOH B 72 -0.742 4.484 -6.912 1.00 0.00 EP
HETATM 499 LP2 HOH B 72 -0.220 3.944 -6.050 1.00 0.00 EP
HETATM 500 O HOH B 73 -8.246 4.102 -10.099 1.00 0.00 O
HETATM 501 H1 HOH B 73 -7.307 3.918 -10.085 1.00 0.00 H
HETATM 502 H2 HOH B 73 -8.303 5.057 -10.133 1.00 0.00 H
HETATM 503 LP1 HOH B 73 -8.555 3.855 -9.522 1.00 0.00 EP
HETATM 504 LP2 HOH B 73 -8.545 3.816 -10.664 1.00 0.00 EP
HETATM 505 O HOH B 74 -5.048 -9.138 -0.972 1.00 0.00 O
HETATM 506 H1 HOH B 74 -4.121 -9.117 -1.211 1.00 0.00 H
HETATM 507 H2 HOH B 74 -5.508 -9.251 -1.804 1.00 0.00 H
HETATM 508 LP1 HOH B 74 -5.237 -8.538 -0.664 1.00 0.00 EP
HETATM 509 LP2 HOH B 74 -5.180 -9.673 -0.541 1.00 0.00 EP
HETATM 510 O HOH B 75 0.322 3.366 6.116 1.00 0.00 O
HETATM 511 H1 HOH B 75 1.036 3.062 6.676 1.00 0.00 H
HETATM 512 H2 HOH B 75 0.213 2.671 5.466 1.00 0.00 H
HETATM 513 LP1 HOH B 75 0.490 3.970 5.806 1.00 0.00 EP
HETATM 514 LP2 HOH B 75 -0.265 3.450 6.488 1.00 0.00 EP
HETATM 515 O HOH B 76 2.776 -7.168 -11.594 1.00 0.00 O
HETATM 516 H1 HOH B 76 2.873 -6.715 -10.757 1.00 0.00 H
HETATM 517 H2 HOH B 76 3.629 -7.075 -12.018 1.00 0.00 H
HETATM 518 LP1 HOH B 76 2.274 -6.870 -11.981 1.00 0.00 EP
HETATM 519 LP2 HOH B 76 2.622 -7.844 -11.493 1.00 0.00 EP
HETATM 520 O HOH B 77 -6.917 -0.544 -8.412 1.00 0.00 O
HETATM 521 H1 HOH B 77 -7.376 -0.249 -7.626 1.00 0.00 H
HETATM 522 H2 HOH B 77 -6.254 0.128 -8.570 1.00 0.00 H
HETATM 523 LP1 HOH B 77 -7.359 -0.589 -8.954 1.00 0.00 EP
HETATM 524 LP2 HOH B 77 -6.617 -1.167 -8.304 1.00 0.00 EP
HETATM 525 O HOH B 78 6.839 0.459 3.803 1.00 0.00 O
HETATM 526 H1 HOH B 78 6.627 1.244 3.297 1.00 0.00 H
HETATM 527 H2 HOH B 78 6.458 0.620 4.666 1.00 0.00 H
HETATM 528 LP1 HOH B 78 7.532 0.375 3.849 1.00 0.00 EP
HETATM 529 LP2 HOH B 78 6.554 -0.109 3.509 1.00 0.00 EP
HETATM 530 O HOH B 79 -1.523 -1.315 -7.944 1.00 0.00 O
HETATM 531 H1 HOH B 79 -1.264 -1.054 -7.060 1.00 0.00 H
HETATM 532 H2 HOH B 79 -0.711 -1.613 -8.354 1.00 0.00 H
HETATM 533 LP1 HOH B 79 -1.791 -0.771 -8.293 1.00 0.00 EP
HETATM 534 LP2 HOH B 79 -1.993 -1.833 -7.921 1.00 0.00 EP
HETATM 535 O HOH B 80 3.996 8.019 3.922 1.00 0.00 O
HETATM 536 H1 HOH B 80 4.681 7.385 4.135 1.00 0.00 H
HETATM 537 H2 HOH B 80 4.199 8.301 3.030 1.00 0.00 H
HETATM 538 LP1 HOH B 80 4.015 8.562 4.364 1.00 0.00 EP
HETATM 539 LP2 HOH B 80 3.364 7.719 3.949 1.00 0.00 EP
HETATM 540 O HOH B 81 -4.987 -7.734 -5.271 1.00 0.00 O
HETATM 541 H1 HOH B 81 -5.006 -8.556 -4.781 1.00 0.00 H
HETATM 542 H2 HOH B 81 -4.218 -7.809 -5.836 1.00 0.00 H
HETATM 543 LP1 HOH B 81 -4.923 -7.189 -4.837 1.00 0.00 EP
HETATM 544 LP2 HOH B 81 -5.568 -7.660 -5.654 1.00 0.00 EP
HETATM 545 O HOH B 82 8.233 3.743 -8.237 1.00 0.00 O
HETATM 546 H1 HOH B 82 8.124 4.267 -9.031 1.00 0.00 H
HETATM 547 H2 HOH B 82 7.349 3.661 -7.880 1.00 0.00 H
HETATM 548 LP1 HOH B 82 8.655 4.068 -7.783 1.00 0.00 EP
HETATM 549 LP2 HOH B 82 8.497 3.113 -8.391 1.00 0.00 EP
HETATM 550 O HOH B 83 5.303 -1.174 -7.329 1.00 0.00 O
HETATM 551 H1 HOH B 83 5.627 -0.543 -6.686 1.00 0.00 H
HETATM 552 H2 HOH B 83 5.376 -2.022 -6.891 1.00 0.00 H
HETATM 553 LP1 HOH B 83 5.695 -1.160 -7.908 1.00 0.00 EP
HETATM 554 LP2 HOH B 83 4.637 -1.038 -7.494 1.00 0.00 EP
HETATM 555 O HOH B 84 -5.443 5.867 -1.568 1.00 0.00 O
HETATM 556 H1 HOH B 84 -5.657 5.976 -0.641 1.00 0.00 H
HETATM 557 H2 HOH B 84 -6.239 5.503 -1.956 1.00 0.00 H
HETATM 558 LP1 HOH B 84 -4.905 5.426 -1.647 1.00 0.00 EP
HETATM 559 LP2 HOH B 84 -5.285 6.483 -1.860 1.00 0.00 EP
HETATM 560 O HOH B 85 -5.335 10.056 2.205 1.00 0.00 O
HETATM 561 H1 HOH B 85 -5.056 10.351 3.072 1.00 0.00 H
HETATM 562 H2 HOH B 85 -5.167 10.804 1.632 1.00 0.00 H
HETATM 563 LP1 HOH B 85 -6.015 9.893 2.206 1.00 0.00 EP
HETATM 564 LP2 HOH B 85 -4.962 9.500 2.001 1.00 0.00 EP
HETATM 565 O HOH B 86 -5.091 1.252 -8.748 1.00 0.00 O
HETATM 566 H1 HOH B 86 -4.691 1.647 -7.973 1.00 0.00 H
HETATM 567 H2 HOH B 86 -4.368 0.806 -9.190 1.00 0.00 H
HETATM 568 LP1 HOH B 86 -5.368 1.744 -9.161 1.00 0.00 EP
HETATM 569 LP2 HOH B 86 -5.588 0.795 -8.564 1.00 0.00 EP
HETATM 570 O HOH B 87 4.476 -6.393 -6.319 1.00 0.00 O
HETATM 571 H1 HOH B 87 5.357 -6.481 -5.956 1.00 0.00 H
HETATM 572 H2 HOH B 87 4.289 -7.248 -6.706 1.00 0.00 H
HETATM 573 LP1 HOH B 87 4.458 -5.891 -6.807 1.00 0.00 EP
HETATM 574 LP2 HOH B 87 4.015 -6.244 -5.814 1.00 0.00 EP
HETATM 575 O HOH B 88 4.292 -1.083 7.818 1.00 0.00 O
HETATM 576 H1 HOH B 88 4.095 -1.651 8.564 1.00 0.00 H
HETATM 577 H2 HOH B 88 4.432 -0.219 8.205 1.00 0.00 H
HETATM 578 LP1 HOH B 88 3.755 -1.070 7.369 1.00 0.00 EP
HETATM 579 LP2 HOH B 88 4.868 -1.302 7.487 1.00 0.00 EP
HETATM 580 O HOH B 89 2.895 -5.159 6.464 1.00 0.00 O
HETATM 581 H1 HOH B 89 3.841 -5.038 6.543 1.00 0.00 H
HETATM 582 H2 HOH B 89 2.714 -5.959 6.959 1.00 0.00 H
HETATM 583 LP1 HOH B 89 2.710 -5.237 5.794 1.00 0.00 EP
HETATM 584 LP2 HOH B 89 2.552 -4.615 6.740 1.00 0.00 EP
HETATM 585 O HOH B 90 -6.139 -3.066 -8.599 1.00 0.00 O
HETATM 586 H1 HOH B 90 -5.208 -3.084 -8.820 1.00 0.00 H
HETATM 587 H2 HOH B 90 -6.340 -2.138 -8.482 1.00 0.00 H
HETATM 588 LP1 HOH B 90 -6.261 -3.422 -8.009 1.00 0.00 EP
HETATM 589 LP2 HOH B 90 -6.522 -3.339 -9.119 1.00 0.00 EP
HETATM 590 O HOH B 91 -5.543 -4.326 8.171 1.00 0.00 O
HETATM 591 H1 HOH B 91 -5.168 -3.905 8.944 1.00 0.00 H
HETATM 592 H2 HOH B 91 -4.905 -4.165 7.476 1.00 0.00 H
HETATM 593 LP1 HOH B 91 -6.162 -4.041 8.010 1.00 0.00 EP
HETATM 594 LP2 HOH B 91 -5.624 -5.013 8.279 1.00 0.00 EP
HETATM 595 O HOH B 92 -6.607 -4.945 -6.785 1.00 0.00 O
HETATM 596 H1 HOH B 92 -6.521 -4.101 -7.229 1.00 0.00 H
HETATM 597 H2 HOH B 92 -5.718 -5.299 -6.768 1.00 0.00 H
HETATM 598 LP1 HOH B 92 -7.035 -5.369 -7.141 1.00 0.00 EP
HETATM 599 LP2 HOH B 92 -6.852 -4.859 -6.135 1.00 0.00 EP
HETATM 600 O HOH B 93 7.005 7.200 10.234 1.00 0.00 O
HETATM 601 H1 HOH B 93 6.420 7.919 9.995 1.00 0.00 H
HETATM 602 H2 HOH B 93 7.060 6.662 9.444 1.00 0.00 H
HETATM 603 LP1 HOH B 93 6.739 6.832 10.767 1.00 0.00 EP
HETATM 604 LP2 HOH B 93 7.637 7.444 10.412 1.00 0.00 EP
HETATM 605 O HOH B 94 6.461 1.093 6.399 1.00 0.00 O
HETATM 606 H1 HOH B 94 6.755 0.409 7.000 1.00 0.00 H
HETATM 607 H2 HOH B 94 5.723 1.506 6.848 1.00 0.00 H
HETATM 608 LP1 HOH B 94 6.255 0.815 5.790 1.00 0.00 EP
HETATM 609 LP2 HOH B 94 6.971 1.558 6.283 1.00 0.00 EP
HETATM 610 O HOH B 95 4.779 1.561 8.483 1.00 0.00 O
HETATM 611 H1 HOH B 95 5.068 2.224 9.110 1.00 0.00 H
HETATM 612 H2 HOH B 95 3.833 1.690 8.417 1.00 0.00 H
HETATM 613 LP1 HOH B 95 4.925 0.918 8.717 1.00 0.00 EP
HETATM 614 LP2 HOH B 95 5.086 1.658 7.861 1.00 0.00 EP
HETATM 615 O HOH B 96 3.225 -8.315 -7.781 1.00 0.00 O
HETATM 616 H1 HOH B 96 3.650 -8.925 -8.384 1.00 0.00 H
HETATM 617 H2 HOH B 96 3.025 -7.548 -8.317 1.00 0.00 H
HETATM 618 LP1 HOH B 96 3.655 -8.145 -7.257 1.00 0.00 EP
HETATM 619 LP2 HOH B 96 2.638 -8.595 -7.521 1.00 0.00 EP
HETATM 620 O HOH B 97 -1.349 -0.181 9.264 1.00 0.00 O
HETATM 621 H1 HOH B 97 -0.420 0.036 9.187 1.00 0.00 H
HETATM 622 H2 HOH B 97 -1.725 0.547 9.758 1.00 0.00 H
HETATM 623 LP1 HOH B 97 -1.434 -0.785 9.608 1.00 0.00 EP
HETATM 624 LP2 HOH B 97 -1.645 -0.230 8.631 1.00 0.00 EP
HETATM 625 O HOH B 98 5.522 -5.011 6.579 1.00 0.00 O
HETATM 626 H1 HOH B 98 5.939 -5.417 7.339 1.00 0.00 H
HETATM 627 H2 HOH B 98 5.819 -4.101 6.600 1.00 0.00 H
HETATM 628 LP1 HOH B 98 4.824 -5.044 6.632 1.00 0.00 EP
HETATM 629 LP2 HOH B 98 5.726 -5.324 5.988 1.00 0.00 EP
HETATM 630 O HOH B 99 0.154 5.174 4.070 1.00 0.00 O
HETATM 631 H1 HOH B 99 0.326 4.498 3.414 1.00 0.00 H
HETATM 632 H2 HOH B 99 0.196 4.712 4.907 1.00 0.00 H
HETATM 633 LP1 HOH B 99 -0.480 5.455 3.974 1.00 0.00 EP
HETATM 634 LP2 HOH B 99 0.639 5.677 4.040 1.00 0.00 EP
HETATM 635 O HOH B 100 7.066 -2.020 2.774 1.00 0.00 O
HETATM 636 H1 HOH B 100 6.805 -1.193 3.180 1.00 0.00 H
HETATM 637 H2 HOH B 100 7.018 -1.851 1.833 1.00 0.00 H
HETATM 638 LP1 HOH B 100 6.628 -2.534 2.956 1.00 0.00 EP
HETATM 639 LP2 HOH B 100 7.718 -2.192 2.961 1.00 0.00 EP
HETATM 640 O HOH B 101 -6.898 9.775 -9.609 1.00 0.00 O
HETATM 641 H1 HOH B 101 -6.662 9.957 -8.699 1.00 0.00 H
HETATM 642 H2 HOH B 101 -7.846 9.903 -9.641 1.00 0.00 H
HETATM 643 LP1 HOH B 101 -6.732 9.117 -9.781 1.00 0.00 EP
HETATM 644 LP2 HOH B 101 -6.574 10.219 -10.042 1.00 0.00 EP
HETATM 645 O HOH B 102 -11.056 5.508 -9.714 1.00 0.00 O
HETATM 646 H1 HOH B 102 -10.400 6.138 -10.012 1.00 0.00 H
HETATM 647 H2 HOH B 102 -10.826 4.692 -10.158 1.00 0.00 H
HETATM 648 LP1 HOH B 102 -11.699 5.716 -9.896 1.00 0.00 EP
HETATM 649 LP2 HOH B 102 -11.025 5.429 -9.019 1.00 0.00 EP
HETATM 650 O HOH B 103 -5.253 -5.669 11.601 1.00 0.00 O
HETATM 651 H1 HOH B 103 -5.156 -6.160 12.417 1.00 0.00 H
HETATM 652 H2 HOH B 103 -6.186 -5.460 11.556 1.00 0.00 H
HETATM 653 LP1 HOH B 103 -5.061 -6.060 11.053 1.00 0.00 EP
HETATM 654 LP2 HOH B 103 -4.869 -5.084 11.616 1.00 0.00 EP
HETATM 655 O HOH B 104 -10.075 0.017 -8.099 1.00 0.00 O
HETATM 656 H1 HOH B 104 -11.021 0.154 -8.039 1.00 0.00 H
HETATM 657 H2 HOH B 104 -9.705 0.900 -8.110 1.00 0.00 H
HETATM 658 LP1 HOH B 104 -9.911 -0.327 -8.686 1.00 0.00 EP
HETATM 659 LP2 HOH B 104 -9.842 -0.341 -7.545 1.00 0.00 EP
HETATM 660 O HOH B 105 6.293 -7.750 3.605 1.00 0.00 O
HETATM 661 H1 HOH B 105 6.573 -6.994 3.088 1.00 0.00 H
HETATM 662 H2 HOH B 105 5.336 -7.716 3.581 1.00 0.00 H
HETATM 663 LP1 HOH B 105 6.526 -7.699 4.263 1.00 0.00 EP
HETATM 664 LP2 HOH B 105 6.527 -8.345 3.320 1.00 0.00 EP
HETATM 665 O HOH B 106 -2.048 -2.493 10.538 1.00 0.00 O
HETATM 666 H1 HOH B 106 -1.497 -3.124 10.076 1.00 0.00 H
HETATM 667 H2 HOH B 106 -1.827 -1.648 10.146 1.00 0.00 H
HETATM 668 LP1 HOH B 106 -1.904 -2.493 11.223 1.00 0.00 EP
HETATM 669 LP2 HOH B 106 -2.726 -2.640 10.443 1.00 0.00 EP
HETATM 670 O HOH B 107 -9.324 -5.176 1.094 1.00 0.00 O
HETATM 671 H1 HOH B 107 -9.694 -4.414 1.539 1.00 0.00 H
HETATM 672 H2 HOH B 107 -9.459 -4.999 0.163 1.00 0.00 H
HETATM 673 LP1 HOH B 107 -9.657 -5.761 1.285 1.00 0.00 EP
HETATM 674 LP2 HOH B 107 -8.641 -5.239 1.237 1.00 0.00 EP
HETATM 675 O HOH B 108 -2.095 -9.470 -8.835 1.00 0.00 O
HETATM 676 H1 HOH B 108 -2.596 -9.457 -9.650 1.00 0.00 H
HETATM 677 H2 HOH B 108 -1.359 -8.880 -8.997 1.00 0.00 H
HETATM 678 LP1 HOH B 108 -1.867 -10.117 -8.695 1.00 0.00 EP
HETATM 679 LP2 HOH B 108 -2.484 -9.240 -8.301 1.00 0.00 EP
HETATM 680 O HOH B 109 -1.307 -8.043 10.933 1.00 0.00 O
HETATM 681 H1 HOH B 109 -0.692 -7.312 10.993 1.00 0.00 H
HETATM 682 H2 HOH B 109 -0.772 -8.784 10.647 1.00 0.00 H
HETATM 683 LP1 HOH B 109 -1.810 -7.906 10.466 1.00 0.00 EP
HETATM 684 LP2 HOH B 109 -1.597 -8.174 11.557 1.00 0.00 EP
HETATM 685 O HOH B 110 -7.404 -9.960 9.729 1.00 0.00 O
HETATM 686 H1 HOH B 110 -6.569 -9.607 10.037 1.00 0.00 H
HETATM 687 H2 HOH B 110 -8.011 -9.809 10.454 1.00 0.00 H
HETATM 688 LP1 HOH B 110 -7.348 -10.644 9.592 1.00 0.00 EP
HETATM 689 LP2 HOH B 110 -7.617 -9.623 9.153 1.00 0.00 EP
HETATM 690 O HOH B 111 -4.324 3.817 -4.527 1.00 0.00 O
HETATM 691 H1 HOH B 111 -5.112 3.319 -4.310 1.00 0.00 H
HETATM 692 H2 HOH B 111 -3.856 3.900 -3.697 1.00 0.00 H
HETATM 693 LP1 HOH B 111 -4.492 4.448 -4.781 1.00 0.00 EP
HETATM 694 LP2 HOH B 111 -3.935 3.473 -4.997 1.00 0.00 EP
HETATM 695 O HOH B 112 -0.411 -0.590 5.330 1.00 0.00 O
HETATM 696 H1 HOH B 112 0.357 -0.823 5.851 1.00 0.00 H
HETATM 697 H2 HOH B 112 -0.125 0.155 4.801 1.00 0.00 H
HETATM 698 LP1 HOH B 112 -0.946 -0.408 5.744 1.00 0.00 EP
HETATM 699 LP2 HOH B 112 -0.604 -1.124 4.920 1.00 0.00 EP
HETATM 700 O HOH B 113 -4.610 -3.271 10.375 1.00 0.00 O
HETATM 701 H1 HOH B 113 -4.599 -3.989 11.008 1.00 0.00 H
HETATM 702 H2 HOH B 113 -3.735 -2.887 10.432 1.00 0.00 H
HETATM 703 LP1 HOH B 113 -5.098 -2.798 10.544 1.00 0.00 EP
HETATM 704 LP2 HOH B 113 -4.733 -3.512 9.729 1.00 0.00 EP
HETATM 705 O HOH B 114 1.554 1.388 -8.115 1.00 0.00 O
HETATM 706 H1 HOH B 114 2.236 2.022 -8.338 1.00 0.00 H
HETATM 707 H2 HOH B 114 0.921 1.454 -8.830 1.00 0.00 H
HETATM 708 LP1 HOH B 114 1.255 1.552 -7.504 1.00 0.00 EP
HETATM 709 LP2 HOH B 114 1.820 0.741 -8.078 1.00 0.00 EP
HETATM 710 O HOH B 115 -4.695 -1.230 6.100 1.00 0.00 O
HETATM 711 H1 HOH B 115 -3.872 -0.750 6.195 1.00 0.00 H
HETATM 712 H2 HOH B 115 -4.475 -2.132 6.336 1.00 0.00 H
HETATM 713 LP1 HOH B 115 -4.926 -1.197 5.440 1.00 0.00 EP
HETATM 714 LP2 HOH B 115 -5.183 -0.973 6.531 1.00 0.00 EP
HETATM 715 O HOH B 116 -4.589 2.744 11.855 1.00 0.00 O
HETATM 716 H1 HOH B 116 -4.334 3.330 11.142 1.00 0.00 H
HETATM 717 H2 HOH B 116 -3.830 2.175 11.981 1.00 0.00 H
HETATM 718 LP1 HOH B 116 -5.152 2.368 11.676 1.00 0.00 EP
HETATM 719 LP2 HOH B 116 -4.726 3.107 12.437 1.00 0.00 EP
HETATM 720 O HOH B 117 6.840 -3.545 -9.304 1.00 0.00 O
HETATM 721 H1 HOH B 117 7.343 -3.093 -8.627 1.00 0.00 H
HETATM 722 H2 HOH B 117 7.068 -3.091 -10.116 1.00 0.00 H
HETATM 723 LP1 HOH B 117 6.154 -3.495 -9.177 1.00 0.00 EP
HETATM 724 LP2 HOH B 117 7.022 -4.220 -9.339 1.00 0.00 EP
HETATM 725 O HOH B 118 -7.748 5.673 -5.304 1.00 0.00 O
HETATM 726 H1 HOH B 118 -7.192 6.433 -5.479 1.00 0.00 H
HETATM 727 H2 HOH B 118 -7.419 4.995 -5.894 1.00 0.00 H
HETATM 728 LP1 HOH B 118 -8.418 5.819 -5.444 1.00 0.00 EP
HETATM 729 LP2 HOH B 118 -7.687 5.471 -4.637 1.00 0.00 EP
HETATM 730 O HOH B 119 -5.092 -6.838 4.844 1.00 0.00 O
HETATM 731 H1 HOH B 119 -5.082 -5.887 4.733 1.00 0.00 H
HETATM 732 H2 HOH B 119 -4.214 -7.052 5.159 1.00 0.00 H
HETATM 733 LP1 HOH B 119 -5.220 -7.156 4.234 1.00 0.00 EP
HETATM 734 LP2 HOH B 119 -5.576 -7.027 5.313 1.00 0.00 EP
HETATM 735 O HOH B 120 2.503 3.864 -4.552 1.00 0.00 O
HETATM 736 H1 HOH B 120 1.870 3.160 -4.697 1.00 0.00 H
HETATM 737 H2 HOH B 120 3.231 3.442 -4.095 1.00 0.00 H
HETATM 738 LP1 HOH B 120 2.223 4.370 -4.157 1.00 0.00 EP
HETATM 739 LP2 HOH B 120 2.716 4.134 -5.161 1.00 0.00 EP
HETATM 740 O HOH B 121 2.531 -9.404 1.640 1.00 0.00 O
HETATM 741 H1 HOH B 121 3.025 -10.223 1.657 1.00 0.00 H
HETATM 742 H2 HOH B 121 2.898 -8.887 2.357 1.00 0.00 H
HETATM 743 LP1 HOH B 121 1.849 -9.524 1.745 1.00 0.00 EP
HETATM 744 LP2 HOH B 121 2.618 -9.075 1.028 1.00 0.00 EP
HETATM 745 O HOH B 122 -7.746 -0.003 9.621 1.00 0.00 O
HETATM 746 H1 HOH B 122 -7.519 0.651 10.282 1.00 0.00 H
HETATM 747 H2 HOH B 122 -7.166 0.188 8.884 1.00 0.00 H
HETATM 748 LP1 HOH B 122 -8.417 0.059 9.431 1.00 0.00 EP
HETATM 749 LP2 HOH B 122 -7.632 -0.650 9.864 1.00 0.00 EP
HETATM 750 O HOH B 123 3.061 11.541 -2.591 1.00 0.00 O
HETATM 751 H1 HOH B 123 3.994 11.327 -2.583 1.00 0.00 H
HETATM 752 H2 HOH B 123 3.034 12.497 -2.545 1.00 0.00 H
HETATM 753 LP1 HOH B 123 2.737 11.258 -2.039 1.00 0.00 EP
HETATM 754 LP2 HOH B 123 2.760 11.313 -3.181 1.00 0.00 EP
HETATM 755 O HOH B 124 5.943 5.508 11.923 1.00 0.00 O
HETATM 756 H1 HOH B 124 6.596 5.325 12.599 1.00 0.00 H
HETATM 757 H2 HOH B 124 6.331 6.210 11.399 1.00 0.00 H
HETATM 758 LP1 HOH B 124 5.341 5.719 12.211 1.00 0.00 EP
HETATM 759 LP2 HOH B 124 5.828 4.941 11.530 1.00 0.00 EP
HETATM 760 O HOH B 125 -1.899 2.625 -10.253 1.00 0.00 O
HETATM 761 H1 HOH B 125 -0.963 2.644 -10.454 1.00 0.00 H
HETATM 762 H2 HOH B 125 -2.005 3.259 -9.544 1.00 0.00 H
HETATM 763 LP1 HOH B 125 -2.094 1.986 -10.045 1.00 0.00 EP
HETATM 764 LP2 HOH B 125 -2.276 2.813 -10.812 1.00 0.00 EP
HETATM 765 O HOH B 126 -7.957 -3.576 7.592 1.00 0.00 O
HETATM 766 H1 HOH B 126 -8.292 -3.250 8.427 1.00 0.00 H
HETATM 767 H2 HOH B 126 -7.025 -3.729 7.751 1.00 0.00 H
HETATM 768 LP1 HOH B 126 -8.046 -3.100 7.086 1.00 0.00 EP
HETATM 769 LP2 HOH B 126 -8.278 -4.171 7.412 1.00 0.00 EP
HETATM 770 O HOH B 127 2.389 8.360 -9.381 1.00 0.00 O
HETATM 771 H1 HOH B 127 1.442 8.327 -9.520 1.00 0.00 H
HETATM 772 H2 HOH B 127 2.735 7.644 -9.914 1.00 0.00 H
HETATM 773 LP1 HOH B 127 2.543 8.262 -8.705 1.00 0.00 EP
HETATM 774 LP2 HOH B 127 2.649 8.974 -9.593 1.00 0.00 EP
HETATM 775 O HOH B 128 2.860 4.671 9.136 1.00 0.00 O
HETATM 776 H1 HOH B 128 3.685 4.346 9.497 1.00 0.00 H
HETATM 777 H2 HOH B 128 2.431 3.893 8.780 1.00 0.00 H
HETATM 778 LP1 HOH B 128 2.979 5.141 8.632 1.00 0.00 EP
HETATM 779 LP2 HOH B 128 2.469 4.961 9.638 1.00 0.00 EP
HETATM 780 O HOH B 129 1.705 -9.429 -10.578 1.00 0.00 O
HETATM 781 H1 HOH B 129 2.346 -9.929 -10.072 1.00 0.00 H
HETATM 782 H2 HOH B 129 2.230 -8.802 -11.076 1.00 0.00 H
HETATM 783 LP1 HOH B 129 1.260 -9.097 -10.153 1.00 0.00 EP
HETATM 784 LP2 HOH B 129 1.347 -9.849 -11.008 1.00 0.00 EP
HETATM 785 O HOH B 130 -10.167 -7.390 7.927 1.00 0.00 O
HETATM 786 H1 HOH B 130 -11.008 -7.619 8.323 1.00 0.00 H
HETATM 787 H2 HOH B 130 -9.677 -6.967 8.632 1.00 0.00 H
HETATM 788 LP1 HOH B 130 -10.259 -6.950 7.391 1.00 0.00 EP
HETATM 789 LP2 HOH B 130 -9.835 -7.964 7.704 1.00 0.00 EP
HETATM 790 O HOH B 131 1.415 7.478 4.359 1.00 0.00 O
HETATM 791 H1 HOH B 131 1.147 6.583 4.153 1.00 0.00 H
HETATM 792 H2 HOH B 131 2.361 7.485 4.215 1.00 0.00 H
HETATM 793 LP1 HOH B 131 1.265 7.635 5.024 1.00 0.00 EP
HETATM 794 LP2 HOH B 131 1.097 7.935 3.934 1.00 0.00 EP
HETATM 795 O HOH B 132 -11.397 -7.187 -0.982 1.00 0.00 O
HETATM 796 H1 HOH B 132 -10.900 -7.071 -1.792 1.00 0.00 H
HETATM 797 H2 HOH B 132 -11.825 -6.343 -0.840 1.00 0.00 H
HETATM 798 LP1 HOH B 132 -10.969 -7.341 -0.450 1.00 0.00 EP
HETATM 799 LP2 HOH B 132 -11.871 -7.697 -1.055 1.00 0.00 EP
HETATM 800 O HOH B 133 -2.097 8.444 7.155 1.00 0.00 O
HETATM 801 H1 HOH B 133 -1.340 8.072 7.608 1.00 0.00 H
HETATM 802 H2 HOH B 133 -2.734 7.730 7.125 1.00 0.00 H
HETATM 803 LP1 HOH B 133 -1.923 8.648 6.508 1.00 0.00 EP
HETATM 804 LP2 HOH B 133 -2.355 8.990 7.510 1.00 0.00 EP
HETATM 805 O HOH B 134 -9.473 6.028 -1.226 1.00 0.00 O
HETATM 806 H1 HOH B 134 -9.070 6.684 -0.657 1.00 0.00 H
HETATM 807 H2 HOH B 134 -8.747 5.681 -1.744 1.00 0.00 H
HETATM 808 LP1 HOH B 134 -9.954 6.322 -1.641 1.00 0.00 EP
HETATM 809 LP2 HOH B 134 -9.771 5.521 -0.847 1.00 0.00 EP
HETATM 810 O HOH B 135 0.669 2.092 -5.743 1.00 0.00 O
HETATM 811 H1 HOH B 135 1.053 1.887 -6.596 1.00 0.00 H
HETATM 812 H2 HOH B 135 0.092 2.837 -5.913 1.00 0.00 H
HETATM 813 LP1 HOH B 135 1.167 2.265 -5.283 1.00 0.00 EP
HETATM 814 LP2 HOH B 135 0.304 1.547 -5.499 1.00 0.00 EP
HETATM 815 O HOH B 136 -9.778 -7.871 0.980 1.00 0.00 O
HETATM 816 H1 HOH B 136 -10.466 -7.800 0.318 1.00 0.00 H
HETATM 817 H2 HOH B 136 -9.644 -6.973 1.284 1.00 0.00 H
HETATM 818 LP1 HOH B 136 -9.190 -8.127 0.699 1.00 0.00 EP
HETATM 819 LP2 HOH B 136 -9.984 -8.283 1.507 1.00 0.00 EP
HETATM 820 O HOH B 137 -0.606 6.803 8.766 1.00 0.00 O
HETATM 821 H1 HOH B 137 -0.756 5.898 8.494 1.00 0.00 H
HETATM 822 H2 HOH B 137 0.031 6.737 9.478 1.00 0.00 H
HETATM 823 LP1 HOH B 137 -1.200 7.095 8.993 1.00 0.00 EP
HETATM 824 LP2 HOH B 137 -0.347 7.181 8.237 1.00 0.00 EP
HETATM 825 O HOH B 138 0.836 -4.802 -8.454 1.00 0.00 O
HETATM 826 H1 HOH B 138 0.145 -5.181 -8.998 1.00 0.00 H
HETATM 827 H2 HOH B 138 0.576 -5.011 -7.557 1.00 0.00 H
HETATM 828 LP1 HOH B 138 0.872 -4.110 -8.547 1.00 0.00 EP
HETATM 829 LP2 HOH B 138 1.456 -5.090 -8.606 1.00 0.00 EP
HETATM 830 O HOH B 139 -1.713 6.757 -5.349 1.00 0.00 O
HETATM 831 H1 HOH B 139 -2.540 6.607 -5.807 1.00 0.00 H
HETATM 832 H2 HOH B 139 -1.964 7.205 -4.541 1.00 0.00 H
HETATM 833 LP1 HOH B 139 -1.287 7.159 -5.733 1.00 0.00 EP
HETATM 834 LP2 HOH B 139 -1.396 6.149 -5.207 1.00 0.00 EP
HETATM 835 O HOH B 140 0.397 -5.290 -5.894 1.00 0.00 O
HETATM 836 H1 HOH B 140 1.181 -5.360 -5.349 1.00 0.00 H
HETATM 837 H2 HOH B 140 -0.055 -6.125 -5.773 1.00 0.00 H
HETATM 838 LP1 HOH B 140 0.571 -5.199 -6.566 1.00 0.00 EP
HETATM 839 LP2 HOH B 140 -0.005 -4.758 -5.683 1.00 0.00 EP
HETATM 840 O HOH B 141 -12.240 8.818 -6.421 1.00 0.00 O
HETATM 841 H1 HOH B 141 -11.623 8.093 -6.511 1.00 0.00 H
HETATM 842 H2 HOH B 141 -13.051 8.407 -6.121 1.00 0.00 H
HETATM 843 LP1 HOH B 141 -12.338 9.138 -7.036 1.00 0.00 EP
HETATM 844 LP2 HOH B 141 -12.010 9.282 -5.950 1.00 0.00 EP
HETATM 845 O HOH B 142 5.163 8.668 8.989 1.00 0.00 O
HETATM 846 H1 HOH B 142 4.562 9.275 9.421 1.00 0.00 H
HETATM 847 H2 HOH B 142 4.598 7.980 8.637 1.00 0.00 H
HETATM 848 LP1 HOH B 142 5.619 8.403 9.449 1.00 0.00 EP
HETATM 849 LP2 HOH B 142 5.511 8.989 8.474 1.00 0.00 EP
HETATM 850 O HOH B 143 -6.487 8.454 4.809 1.00 0.00 O
HETATM 851 H1 HOH B 143 -5.752 9.067 4.819 1.00 0.00 H
HETATM 852 H2 HOH B 143 -6.080 7.591 4.878 1.00 0.00 H
HETATM 853 LP1 HOH B 143 -6.847 8.511 4.212 1.00 0.00 EP
HETATM 854 LP2 HOH B 143 -6.914 8.570 5.351 1.00 0.00 EP
HETATM 855 O HOH B 144 -6.878 8.306 -5.098 1.00 0.00 O
HETATM 856 H1 HOH B 144 -6.142 8.215 -4.492 1.00 0.00 H
HETATM 857 H2 HOH B 144 -7.584 8.671 -4.565 1.00 0.00 H
HETATM 858 LP1 HOH B 144 -7.061 7.682 -5.358 1.00 0.00 EP
HETATM 859 LP2 HOH B 144 -6.714 8.739 -5.622 1.00 0.00 EP
HETATM 860 O HOH B 145 -10.171 6.668 -5.685 1.00 0.00 O
HETATM 861 H1 HOH B 145 -10.504 6.795 -4.797 1.00 0.00 H
HETATM 862 H2 HOH B 145 -9.353 6.183 -5.568 1.00 0.00 H
HETATM 863 LP1 HOH B 145 -10.051 7.284 -5.995 1.00 0.00 EP
HETATM 864 LP2 HOH B 145 -10.624 6.298 -6.069 1.00 0.00 EP
HETATM 865 O HOH B 146 -5.011 5.785 -8.573 1.00 0.00 O
HETATM 866 H1 HOH B 146 -5.655 6.342 -9.011 1.00 0.00 H
HETATM 867 H2 HOH B 146 -5.118 4.927 -8.983 1.00 0.00 H
HETATM 868 LP1 HOH B 146 -5.142 5.749 -7.886 1.00 0.00 EP
HETATM 869 LP2 HOH B 146 -4.363 6.029 -8.675 1.00 0.00 EP
HETATM 870 O HOH B 147 3.703 6.800 7.766 1.00 0.00 O
HETATM 871 H1 HOH B 147 3.407 6.025 8.244 1.00 0.00 H
HETATM 872 H2 HOH B 147 2.899 7.193 7.426 1.00 0.00 H
HETATM 873 LP1 HOH B 147 4.131 6.619 7.242 1.00 0.00 EP
HETATM 874 LP2 HOH B 147 4.033 7.244 8.195 1.00 0.00 EP
HETATM 875 O HOH B 148 -3.568 9.537 -7.635 1.00 0.00 O
HETATM 876 H1 HOH B 148 -3.319 10.193 -8.286 1.00 0.00 H
HETATM 877 H2 HOH B 148 -3.086 9.787 -6.846 1.00 0.00 H
HETATM 878 LP1 HOH B 148 -3.383 8.896 -7.845 1.00 0.00 EP
HETATM 879 LP2 HOH B 148 -4.258 9.554 -7.519 1.00 0.00 EP
HETATM 880 O HOH B 149 -2.106 9.348 4.666 1.00 0.00 O
HETATM 881 H1 HOH B 149 -1.895 9.104 5.567 1.00 0.00 H
HETATM 882 H2 HOH B 149 -1.989 8.541 4.165 1.00 0.00 H
HETATM 883 LP1 HOH B 149 -1.671 9.847 4.437 1.00 0.00 EP
HETATM 884 LP2 HOH B 149 -2.766 9.575 4.619 1.00 0.00 EP
HETATM 885 O HOH B 150 -8.037 7.781 0.152 1.00 0.00 O
HETATM 886 H1 HOH B 150 -8.379 8.205 0.938 1.00 0.00 H
HETATM 887 H2 HOH B 150 -7.276 7.287 0.457 1.00 0.00 H
HETATM 888 LP1 HOH B 150 -7.847 8.258 -0.324 1.00 0.00 EP
HETATM 889 LP2 HOH B 150 -8.515 7.351 -0.126 1.00 0.00 EP
HETATM 890 O HOH B 151 -8.975 2.588 -7.973 1.00 0.00 O
HETATM 891 H1 HOH B 151 -8.915 3.098 -8.782 1.00 0.00 H
HETATM 892 H2 HOH B 151 -8.195 2.834 -7.476 1.00 0.00 H
HETATM 893 LP1 HOH B 151 -8.974 1.902 -8.113 1.00 0.00 EP
HETATM 894 LP2 HOH B 151 -9.556 2.753 -7.620 1.00 0.00 EP
HETATM 895 O HOH B 152 -7.616 4.960 -2.757 1.00 0.00 O
HETATM 896 H1 HOH B 152 -7.662 5.269 -3.662 1.00 0.00 H
HETATM 897 H2 HOH B 152 -7.706 4.009 -2.823 1.00 0.00 H
HETATM 898 LP1 HOH B 152 -8.136 5.232 -2.376 1.00 0.00 EP
HETATM 899 LP2 HOH B 152 -7.001 5.131 -2.469 1.00 0.00 EP
HETATM 900 O HOH B 153 -11.741 5.115 -7.142 1.00 0.00 O
HETATM 901 H1 HOH B 153 -11.218 5.751 -6.654 1.00 0.00 H
HETATM 902 H2 HOH B 153 -11.535 5.289 -8.061 1.00 0.00 H
HETATM 903 LP1 HOH B 153 -12.424 5.209 -7.020 1.00 0.00 EP
HETATM 904 LP2 HOH B 153 -11.561 4.461 -6.969 1.00 0.00 EP
HETATM 905 O HOH B 154 -0.612 -8.661 -3.092 1.00 0.00 O
HETATM 906 H1 HOH B 154 0.070 -9.309 -3.269 1.00 0.00 H
HETATM 907 H2 HOH B 154 -0.254 -8.121 -2.388 1.00 0.00 H
HETATM 908 LP1 HOH B 154 -1.204 -8.974 -2.888 1.00 0.00 EP
HETATM 909 LP2 HOH B 154 -0.738 -8.273 -3.661 1.00 0.00 EP
HETATM 910 O HOH B 155 -0.337 8.550 -9.264 1.00 0.00 O
HETATM 911 H1 HOH B 155 -0.869 7.814 -8.961 1.00 0.00 H
HETATM 912 H2 HOH B 155 -0.764 8.837 -10.072 1.00 0.00 H
HETATM 913 LP1 HOH B 155 0.320 8.344 -9.391 1.00 0.00 EP
HETATM 914 LP2 HOH B 155 -0.334 9.064 -8.790 1.00 0.00 EP
HETATM 915 O HOH B 156 -11.159 2.661 -6.495 1.00 0.00 O
HETATM 916 H1 HOH B 156 -11.481 3.555 -6.604 1.00 0.00 H
HETATM 917 H2 HOH B 156 -10.371 2.622 -7.037 1.00 0.00 H
HETATM 918 LP1 HOH B 156 -11.635 2.198 -6.717 1.00 0.00 EP
HETATM 919 LP2 HOH B 156 -11.005 2.533 -5.824 1.00 0.00 EP
HETATM 920 O HOH B 157 -4.207 2.053 6.807 1.00 0.00 O
HETATM 921 H1 HOH B 157 -4.052 2.641 7.546 1.00 0.00 H
HETATM 922 H2 HOH B 157 -3.483 1.427 6.843 1.00 0.00 H
HETATM 923 LP1 HOH B 157 -4.198 2.406 6.203 1.00 0.00 EP
HETATM 924 LP2 HOH B 157 -4.821 1.724 6.877 1.00 0.00 EP
HETATM 925 O HOH B 158 -7.217 9.429 -1.735 1.00 0.00 O
HETATM 926 H1 HOH B 158 -7.529 8.915 -0.990 1.00 0.00 H
HETATM 927 H2 HOH B 158 -7.953 9.434 -2.347 1.00 0.00 H
HETATM 928 LP1 HOH B 158 -6.656 9.128 -2.026 1.00 0.00 EP
HETATM 929 LP2 HOH B 158 -7.057 10.080 -1.537 1.00 0.00 EP
HETATM 930 O HOH B 159 -7.830 9.088 2.567 1.00 0.00 O
HETATM 931 H1 HOH B 159 -7.063 9.563 2.247 1.00 0.00 H
HETATM 932 H2 HOH B 159 -7.539 8.687 3.386 1.00 0.00 H
HETATM 933 LP1 HOH B 159 -8.028 8.598 2.108 1.00 0.00 EP
HETATM 934 LP2 HOH B 159 -8.362 9.528 2.683 1.00 0.00 EP
HETATM 935 O HOH B 160 5.162 -8.995 -9.997 1.00 0.00 O
HETATM 936 H1 HOH B 160 5.599 -9.179 -10.829 1.00 0.00 H
HETATM 937 H2 HOH B 160 4.709 -9.809 -9.779 1.00 0.00 H
HETATM 938 LP1 HOH B 160 4.706 -8.469 -10.069 1.00 0.00 EP
HETATM 939 LP2 HOH B 160 5.630 -8.832 -9.503 1.00 0.00 EP
HETATM 940 O HOH B 161 -10.717 3.238 3.091 1.00 0.00 O
HETATM 941 H1 HOH B 161 -11.628 3.033 3.300 1.00 0.00 H
HETATM 942 H2 HOH B 161 -10.739 4.147 2.790 1.00 0.00 H
HETATM 943 LP1 HOH B 161 -10.477 2.816 2.587 1.00 0.00 EP
HETATM 944 LP2 HOH B 161 -10.312 3.176 3.659 1.00 0.00 EP
HETATM 945 O HOH B 162 -1.237 -7.712 3.119 1.00 0.00 O
HETATM 946 H1 HOH B 162 -0.923 -7.838 4.014 1.00 0.00 H
HETATM 947 H2 HOH B 162 -1.098 -6.781 2.944 1.00 0.00 H
HETATM 948 LP1 HOH B 162 -1.917 -7.874 3.070 1.00 0.00 EP
HETATM 949 LP2 HOH B 162 -0.871 -8.105 2.670 1.00 0.00 EP
HETATM 950 O HOH B 163 -7.708 4.961 4.893 1.00 0.00 O
HETATM 951 H1 HOH B 163 -8.265 5.519 5.435 1.00 0.00 H
HETATM 952 H2 HOH B 163 -6.815 5.227 5.113 1.00 0.00 H
HETATM 953 LP1 HOH B 163 -7.837 5.067 4.213 1.00 0.00 EP
HETATM 954 LP2 HOH B 163 -7.810 4.286 5.047 1.00 0.00 EP
HETATM 955 O HOH B 164 -9.123 9.216 -3.696 1.00 0.00 O
HETATM 956 H1 HOH B 164 -9.681 8.487 -3.426 1.00 0.00 H
HETATM 957 H2 HOH B 164 -9.723 9.839 -4.106 1.00 0.00 H
HETATM 958 LP1 HOH B 164 -8.639 9.001 -4.153 1.00 0.00 EP
HETATM 959 LP2 HOH B 164 -8.808 9.505 -3.141 1.00 0.00 EP
HETATM 960 O HOH B 165 2.030 10.326 7.335 1.00 0.00 O
HETATM 961 H1 HOH B 165 2.704 10.344 6.655 1.00 0.00 H
HETATM 962 H2 HOH B 165 1.671 9.440 7.293 1.00 0.00 H
HETATM 963 LP1 HOH B 165 1.533 10.801 7.202 1.00 0.00 EP
HETATM 964 LP2 HOH B 165 2.310 10.451 7.964 1.00 0.00 EP
HETATM 965 O HOH B 166 -5.208 8.159 -2.965 1.00 0.00 O
HETATM 966 H1 HOH B 166 -5.726 8.738 -2.405 1.00 0.00 H
HETATM 967 H2 HOH B 166 -5.199 7.321 -2.502 1.00 0.00 H
HETATM 968 LP1 HOH B 166 -4.558 8.406 -3.043 1.00 0.00 EP
HETATM 969 LP2 HOH B 166 -5.508 8.090 -3.594 1.00 0.00 EP
HETATM 970 O HOH B 167 -2.151 4.340 -8.209 1.00 0.00 O
HETATM 971 H1 HOH B 167 -2.279 5.260 -8.441 1.00 0.00 H
HETATM 972 H2 HOH B 167 -1.418 4.348 -7.594 1.00 0.00 H
HETATM 973 LP1 HOH B 167 -1.994 3.962 -8.777 1.00 0.00 EP
HETATM 974 LP2 HOH B 167 -2.726 4.079 -7.906 1.00 0.00 EP
HETATM 975 O HOH B 168 0.023 -11.181 -8.274 1.00 0.00 O
HETATM 976 H1 HOH B 168 -0.869 -10.849 -8.384 1.00 0.00 H
HETATM 977 H2 HOH B 168 0.409 -11.124 -9.148 1.00 0.00 H
HETATM 978 LP1 HOH B 168 0.014 -11.844 -8.050 1.00 0.00 EP
HETATM 979 LP2 HOH B 168 0.379 -10.785 -7.820 1.00 0.00 EP
HETATM 980 O HOH B 169 -8.826 -10.564 -7.170 1.00 0.00 O
HETATM 981 H1 HOH B 169 -7.985 -10.976 -6.973 1.00 0.00 H
HETATM 982 H2 HOH B 169 -9.383 -10.787 -6.424 1.00 0.00 H
HETATM 983 LP1 HOH B 169 -9.094 -10.819 -7.764 1.00 0.00 EP
HETATM 984 LP2 HOH B 169 -8.754 -9.870 -7.226 1.00 0.00 EP
HETATM 985 O HOH B 170 -2.608 8.581 -3.583 1.00 0.00 O
HETATM 986 H1 HOH B 170 -3.553 8.497 -3.453 1.00 0.00 H
HETATM 987 H2 HOH B 170 -2.264 8.790 -2.714 1.00 0.00 H
HETATM 988 LP1 HOH B 170 -2.466 9.096 -4.036 1.00 0.00 EP
HETATM 989 LP2 HOH B 170 -2.337 7.981 -3.819 1.00 0.00 EP
HETATM 990 O HOH B 171 -4.376 7.246 2.719 1.00 0.00 O
HETATM 991 H1 HOH B 171 -3.425 7.138 2.684 1.00 0.00 H
HETATM 992 H2 HOH B 171 -4.517 8.179 2.559 1.00 0.00 H
HETATM 993 LP1 HOH B 171 -4.623 7.062 3.347 1.00 0.00 EP
HETATM 994 LP2 HOH B 171 -4.687 6.860 2.224 1.00 0.00 EP
HETATM 995 O HOH B 172 -0.140 -9.078 1.158 1.00 0.00 O
HETATM 996 H1 HOH B 172 0.735 -9.379 1.403 1.00 0.00 H
HETATM 997 H2 HOH B 172 -0.462 -8.618 1.933 1.00 0.00 H
HETATM 998 LP1 HOH B 172 -0.554 -9.621 1.002 1.00 0.00 EP
HETATM 999 LP2 HOH B 172 -0.107 -8.645 0.609 1.00 0.00 EP
HETATM 1000 O HOH B 173 2.248 10.174 0.842 1.00 0.00 O
HETATM 1001 H1 HOH B 173 1.626 9.782 1.455 1.00 0.00 H
HETATM 1002 H2 HOH B 173 3.108 9.942 1.193 1.00 0.00 H
HETATM 1003 LP1 HOH B 173 2.169 10.869 0.820 1.00 0.00 EP
HETATM 1004 LP2 HOH B 173 2.163 9.909 0.200 1.00 0.00 EP
HETATM 1005 O HOH B 174 -4.916 -12.143 6.929 1.00 0.00 O
HETATM 1006 H1 HOH B 174 -4.367 -12.621 7.551 1.00 0.00 H
HETATM 1007 H2 HOH B 174 -5.785 -12.139 7.331 1.00 0.00 H
HETATM 1008 LP1 HOH B 174 -4.931 -12.469 6.310 1.00 0.00 EP
HETATM 1009 LP2 HOH B 174 -4.681 -11.489 6.843 1.00 0.00 EP
HETATM 1010 O HOH B 175 4.740 0.692 -10.381 1.00 0.00 O
HETATM 1011 H1 HOH B 175 4.489 1.594 -10.183 1.00 0.00 H
HETATM 1012 H2 HOH B 175 4.009 0.163 -10.061 1.00 0.00 H
HETATM 1013 LP1 HOH B 175 5.333 0.521 -10.049 1.00 0.00 EP
HETATM 1014 LP2 HOH B 175 4.825 0.604 -11.070 1.00 0.00 EP
HETATM 1015 O HOH B 176 -2.241 1.963 10.514 1.00 0.00 O
HETATM 1016 H1 HOH B 176 -1.483 2.440 10.854 1.00 0.00 H
HETATM 1017 H2 HOH B 176 -2.670 2.583 9.925 1.00 0.00 H
HETATM 1018 LP1 HOH B 176 -2.671 1.778 11.035 1.00 0.00 EP
HETATM 1019 LP2 HOH B 176 -2.037 1.391 10.166 1.00 0.00 EP
HETATM 1020 O HOH B 177 6.623 2.401 -4.225 1.00 0.00 O
HETATM 1021 H1 HOH B 177 7.111 3.219 -4.320 1.00 0.00 H
HETATM 1022 H2 HOH B 177 6.804 2.116 -3.329 1.00 0.00 H
HETATM 1023 LP1 HOH B 177 6.847 1.924 -4.686 1.00 0.00 EP
HETATM 1024 LP2 HOH B 177 5.938 2.509 -4.317 1.00 0.00 EP
HETATM 1025 O HOH B 178 -5.090 5.904 4.963 1.00 0.00 O
HETATM 1026 H1 HOH B 178 -4.835 6.362 4.162 1.00 0.00 H
HETATM 1027 H2 HOH B 178 -4.680 5.043 4.888 1.00 0.00 H
HETATM 1028 LP1 HOH B 178 -5.786 5.844 5.003 1.00 0.00 EP
HETATM 1029 LP2 HOH B 178 -4.853 6.243 5.528 1.00 0.00 EP
HETATM 1030 O HOH B 179 -4.980 -7.123 -9.990 1.00 0.00 O
HETATM 1031 H1 HOH B 179 -4.693 -6.554 -9.276 1.00 0.00 H
HETATM 1032 H2 HOH B 179 -5.495 -7.807 -9.561 1.00 0.00 H
HETATM 1033 LP1 HOH B 179 -4.430 -7.399 -10.323 1.00 0.00 EP
HETATM 1034 LP2 HOH B 179 -5.374 -6.767 -10.447 1.00 0.00 EP
HETATM 1035 O HOH B 180 7.081 1.423 -1.754 1.00 0.00 O
HETATM 1036 H1 HOH B 180 6.178 1.346 -1.447 1.00 0.00 H
HETATM 1037 H2 HOH B 180 7.538 1.873 -1.044 1.00 0.00 H
HETATM 1038 LP1 HOH B 180 7.111 1.797 -2.345 1.00 0.00 EP
HETATM 1039 LP2 HOH B 180 7.359 0.790 -1.865 1.00 0.00 EP
HETATM 1040 O HOH B 181 -10.302 5.623 1.778 1.00 0.00 O
HETATM 1041 H1 HOH B 181 -10.446 6.534 2.035 1.00 0.00 H
HETATM 1042 H2 HOH B 181 -10.593 5.582 0.867 1.00 0.00 H
HETATM 1043 LP1 HOH B 181 -10.680 5.191 2.178 1.00 0.00 EP
HETATM 1044 LP2 HOH B 181 -9.624 5.456 1.829 1.00 0.00 EP
HETATM 1045 O HOH B 182 0.447 9.150 2.581 1.00 0.00 O
HETATM 1046 H1 HOH B 182 -0.005 9.844 3.061 1.00 0.00 H
HETATM 1047 H2 HOH B 182 0.825 8.594 3.263 1.00 0.00 H
HETATM 1048 LP1 HOH B 182 0.949 9.418 2.174 1.00 0.00 EP
HETATM 1049 LP2 HOH B 182 -0.004 8.787 2.188 1.00 0.00 EP
HETATM 1050 O HOH B 183 0.669 8.201 -4.982 1.00 0.00 O
HETATM 1051 H1 HOH B 183 1.208 8.485 -5.720 1.00 0.00 H
HETATM 1052 H2 HOH B 183 -0.134 7.871 -5.385 1.00 0.00 H
HETATM 1053 LP1 HOH B 183 0.529 8.739 -4.556 1.00 0.00 EP
HETATM 1054 LP2 HOH B 183 0.991 7.695 -4.621 1.00 0.00 EP
HETATM 1055 O HOH B 184 -7.852 -6.374 -8.528 1.00 0.00 O
HETATM 1056 H1 HOH B 184 -7.194 -6.321 -9.222 1.00 0.00 H
HETATM 1057 H2 HOH B 184 -7.496 -5.839 -7.819 1.00 0.00 H
HETATM 1058 LP1 HOH B 184 -7.937 -7.037 -8.319 1.00 0.00 EP
HETATM 1059 LP2 HOH B 184 -8.465 -6.118 -8.748 1.00 0.00 EP
HETATM 1060 O HOH B 185 6.924 11.239 -7.793 1.00 0.00 O
HETATM 1061 H1 HOH B 185 6.137 11.592 -7.379 1.00 0.00 H
HETATM 1062 H2 HOH B 185 7.495 11.999 -7.910 1.00 0.00 H
HETATM 1063 LP1 HOH B 185 6.769 10.949 -8.411 1.00 0.00 EP
HETATM 1064 LP2 HOH B 185 7.228 10.762 -7.381 1.00 0.00 EP
HETATM 1065 O HOH B 186 -11.299 -8.726 -4.820 1.00 0.00 O
HETATM 1066 H1 HOH B 186 -10.925 -9.606 -4.869 1.00 0.00 H
HETATM 1067 H2 HOH B 186 -12.211 -8.867 -4.567 1.00 0.00 H
HETATM 1068 LP1 HOH B 186 -11.261 -8.406 -5.441 1.00 0.00 EP
HETATM 1069 LP2 HOH B 186 -10.966 -8.342 -4.339 1.00 0.00 EP
HETATM 1070 O HOH B 187 3.464 10.626 9.525 1.00 0.00 O
HETATM 1071 H1 HOH B 187 2.762 10.510 8.886 1.00 0.00 H
HETATM 1072 H2 HOH B 187 3.924 11.414 9.236 1.00 0.00 H
HETATM 1073 LP1 HOH B 187 3.895 10.074 9.524 1.00 0.00 EP
HETATM 1074 LP2 HOH B 187 3.202 10.716 10.168 1.00 0.00 EP
HETATM 1075 O HOH B 188 -7.122 3.499 8.978 1.00 0.00 O
HETATM 1076 H1 HOH B 188 -7.179 2.944 9.756 1.00 0.00 H
HETATM 1077 H2 HOH B 188 -6.183 3.633 8.847 1.00 0.00 H
HETATM 1078 LP1 HOH B 188 -7.446 4.110 9.086 1.00 0.00 EP
HETATM 1079 LP2 HOH B 188 -7.406 3.179 8.424 1.00 0.00 EP
HETATM 1080 O HOH B 189 0.025 3.432 10.460 1.00 0.00 O
HETATM 1081 H1 HOH B 189 0.707 2.828 10.165 1.00 0.00 H
HETATM 1082 H2 HOH B 189 -0.340 3.795 9.653 1.00 0.00 H
HETATM 1083 LP1 HOH B 189 0.299 3.939 10.857 1.00 0.00 EP
HETATM 1084 LP2 HOH B 189 -0.467 3.091 10.822 1.00 0.00 EP
HETATM 1085 O HOH B 190 1.055 5.976 10.642 1.00 0.00 O
HETATM 1086 H1 HOH B 190 0.664 5.185 11.013 1.00 0.00 H
HETATM 1087 H2 HOH B 190 1.856 5.671 10.216 1.00 0.00 H
HETATM 1088 LP1 HOH B 190 1.204 6.439 11.146 1.00 0.00 EP
HETATM 1089 LP2 HOH B 190 0.624 6.270 10.176 1.00 0.00 EP
HETATM 1090 O HOH B 191 -6.560 7.214 -10.141 1.00 0.00 O
HETATM 1091 H1 HOH B 191 -7.493 7.050 -10.281 1.00 0.00 H
HETATM 1092 H2 HOH B 191 -6.500 8.160 -10.011 1.00 0.00 H
HETATM 1093 LP1 HOH B 191 -6.187 7.017 -10.699 1.00 0.00 EP
HETATM 1094 LP2 HOH B 191 -6.332 6.872 -9.574 1.00 0.00 EP
HETATM 1095 O HOH B 192 -1.663 7.140 3.211 1.00 0.00 O
HETATM 1096 H1 HOH B 192 -1.263 6.370 3.614 1.00 0.00 H
HETATM 1097 H2 HOH B 192 -1.029 7.423 2.552 1.00 0.00 H
HETATM 1098 LP1 HOH B 192 -1.767 7.643 3.687 1.00 0.00 EP
HETATM 1099 LP2 HOH B 192 -2.273 6.973 2.911 1.00 0.00 EP
HETATM 1100 O HOH B 193 -3.460 -7.613 9.452 1.00 0.00 O
HETATM 1101 H1 HOH B 193 -3.339 -6.708 9.164 1.00 0.00 H
HETATM 1102 H2 HOH B 193 -2.675 -7.809 9.964 1.00 0.00 H
HETATM 1103 LP1 HOH B 193 -3.510 -8.043 8.902 1.00 0.00 EP
HETATM 1104 LP2 HOH B 193 -4.034 -7.672 9.847 1.00 0.00 EP
HETATM 1105 O HOH B 194 -6.084 9.972 -7.049 1.00 0.00 O
HETATM 1106 H1 HOH B 194 -5.175 9.730 -7.226 1.00 0.00 H
HETATM 1107 H2 HOH B 194 -6.366 9.362 -6.368 1.00 0.00 H
HETATM 1108 LP1 HOH B 194 -6.476 9.899 -7.624 1.00 0.00 EP
HETATM 1109 LP2 HOH B 194 -6.124 10.633 -6.821 1.00 0.00 EP
HETATM 1110 O HOH B 195 -9.557 9.507 -9.320 1.00 0.00 O
HETATM 1111 H1 HOH B 195 -9.528 9.277 -8.391 1.00 0.00 H
HETATM 1112 H2 HOH B 195 -10.283 10.126 -9.392 1.00 0.00 H
HETATM 1113 LP1 HOH B 195 -9.676 8.939 -9.711 1.00 0.00 EP
HETATM 1114 LP2 HOH B 195 -8.956 9.806 -9.520 1.00 0.00 EP
HETATM 1115 O HOH B 196 -8.846 7.738 10.734 1.00 0.00 O
HETATM 1116 H1 HOH B 196 -8.771 6.961 10.180 1.00 0.00 H
HETATM 1117 H2 HOH B 196 -8.087 8.273 10.500 1.00 0.00 H
HETATM 1118 LP1 HOH B 196 -8.824 7.562 11.411 1.00 0.00 EP
HETATM 1119 LP2 HOH B 196 -9.441 8.081 10.601 1.00 0.00 EP
HETATM 1120 O HOH B 197 0.690 -9.628 10.046 1.00 0.00 O
HETATM 1121 H1 HOH B 197 1.080 -10.224 10.684 1.00 0.00 H
HETATM 1122 H2 HOH B 197 1.399 -9.029 9.812 1.00 0.00 H
HETATM 1123 LP1 HOH B 197 0.154 -9.278 10.330 1.00 0.00 EP
HETATM 1124 LP2 HOH B 197 0.467 -9.979 9.483 1.00 0.00 EP
HETATM 1125 O HOH B 198 -4.180 6.799 7.330 1.00 0.00 O
HETATM 1126 H1 HOH B 198 -4.596 6.569 6.500 1.00 0.00 H
HETATM 1127 H2 HOH B 198 -4.047 5.961 7.773 1.00 0.00 H
HETATM 1128 LP1 HOH B 198 -4.596 7.216 7.708 1.00 0.00 EP
HETATM 1129 LP2 HOH B 198 -3.568 7.120 7.219 1.00 0.00 EP
HETATM 1130 O HOH B 199 6.458 5.713 8.080 1.00 0.00 O
HETATM 1131 H1 HOH B 199 7.076 5.538 7.371 1.00 0.00 H
HETATM 1132 H2 HOH B 199 5.704 6.114 7.647 1.00 0.00 H
HETATM 1133 LP1 HOH B 199 6.737 6.153 8.548 1.00 0.00 EP
HETATM 1134 LP2 HOH B 199 6.273 5.119 8.399 1.00 0.00 EP
HETATM 1135 O HOH B 200 0.855 -9.564 7.067 1.00 0.00 O
HETATM 1136 H1 HOH B 200 0.389 -10.067 7.735 1.00 0.00 H
HETATM 1137 H2 HOH B 200 1.488 -9.040 7.558 1.00 0.00 H
HETATM 1138 LP1 HOH B 200 0.412 -9.151 6.715 1.00 0.00 EP
HETATM 1139 LP2 HOH B 200 1.182 -9.991 6.619 1.00 0.00 EP
HETATM 1140 O HOH B 201 -3.622 10.068 8.553 1.00 0.00 O
HETATM 1141 H1 HOH B 201 -2.942 9.678 8.002 1.00 0.00 H
HETATM 1142 H2 HOH B 201 -3.144 10.451 9.288 1.00 0.00 H
HETATM 1143 LP1 HOH B 201 -4.070 9.578 8.776 1.00 0.00 EP
HETATM 1144 LP2 HOH B 201 -3.972 10.561 8.201 1.00 0.00 EP
HETATM 1145 O HOH B 202 4.214 -3.703 -8.962 1.00 0.00 O
HETATM 1146 H1 HOH B 202 5.170 -3.662 -8.968 1.00 0.00 H
HETATM 1147 H2 HOH B 202 3.943 -3.070 -9.628 1.00 0.00 H
HETATM 1148 LP1 HOH B 202 3.962 -3.524 -8.334 1.00 0.00 EP
HETATM 1149 LP2 HOH B 202 3.992 -4.346 -9.128 1.00 0.00 EP
HETATM 1150 O HOH B 203 2.662 7.867 -6.795 1.00 0.00 O
HETATM 1151 H1 HOH B 203 2.663 8.176 -7.700 1.00 0.00 H
HETATM 1152 H2 HOH B 203 2.569 6.916 -6.866 1.00 0.00 H
HETATM 1153 LP1 HOH B 203 2.124 8.141 -6.440 1.00 0.00 EP
HETATM 1154 LP2 HOH B 203 3.262 8.034 -6.475 1.00 0.00 EP
HETATM 1155 O HOH B 204 -3.171 -8.754 -11.188 1.00 0.00 O
HETATM 1156 H1 HOH B 204 -2.481 -8.407 -11.754 1.00 0.00 H
HETATM 1157 H2 HOH B 204 -3.665 -7.982 -10.911 1.00 0.00 H
HETATM 1158 LP1 HOH B 204 -2.895 -9.082 -10.634 1.00 0.00 EP
HETATM 1159 LP2 HOH B 204 -3.582 -9.197 -11.541 1.00 0.00 EP
HETATM 1160 O HOH B 205 -7.161 -12.216 8.340 1.00 0.00 O
HETATM 1161 H1 HOH B 205 -7.184 -11.482 8.954 1.00 0.00 H
HETATM 1162 H2 HOH B 205 -7.994 -12.163 7.871 1.00 0.00 H
HETATM 1163 LP1 HOH B 205 -7.109 -12.824 8.683 1.00 0.00 EP
HETATM 1164 LP2 HOH B 205 -6.624 -12.152 7.896 1.00 0.00 EP
HETATM 1165 O HOH B 206 5.708 -5.236 2.462 1.00 0.00 O
HETATM 1166 H1 HOH B 206 5.734 -4.520 1.827 1.00 0.00 H
HETATM 1167 H2 HOH B 206 4.931 -5.058 2.992 1.00 0.00 H
HETATM 1168 LP1 HOH B 206 6.284 -5.236 2.859 1.00 0.00 EP
HETATM 1169 LP2 HOH B 206 5.649 -5.853 2.136 1.00 0.00 EP
HETATM 1170 O HOH B 207 10.572 -2.513 1.849 1.00 0.00 O
HETATM 1171 H1 HOH B 207 10.450 -1.647 1.459 1.00 0.00 H
HETATM 1172 H2 HOH B 207 10.578 -3.113 1.103 1.00 0.00 H
HETATM 1173 LP1 HOH B 207 10.045 -2.665 2.284 1.00 0.00 EP
HETATM 1174 LP2 HOH B 207 11.179 -2.544 2.196 1.00 0.00 EP
HETATM 1175 O HOH B 208 10.753 -4.084 -0.334 1.00 0.00 O
HETATM 1176 H1 HOH B 208 10.255 -3.845 -1.116 1.00 0.00 H
HETATM 1177 H2 HOH B 208 11.656 -4.164 -0.641 1.00 0.00 H
HETATM 1178 LP1 HOH B 208 10.526 -4.692 -0.072 1.00 0.00 EP
HETATM 1179 LP2 HOH B 208 10.701 -3.586 0.155 1.00 0.00 EP
HETATM 1180 O HOH B 209 -9.521 -7.325 4.640 1.00 0.00 O
HETATM 1181 H1 HOH B 209 -9.265 -6.800 5.398 1.00 0.00 H
HETATM 1182 H2 HOH B 209 -10.461 -7.467 4.752 1.00 0.00 H
HETATM 1183 LP1 HOH B 209 -9.177 -7.935 4.634 1.00 0.00 EP
HETATM 1184 LP2 HOH B 209 -9.392 -6.980 4.044 1.00 0.00 EP
HETATM 1185 O HOH B 210 6.954 -0.397 -9.293 1.00 0.00 O
HETATM 1186 H1 HOH B 210 6.359 0.081 -9.870 1.00 0.00 H
HETATM 1187 H2 HOH B 210 6.387 -0.770 -8.619 1.00 0.00 H
HETATM 1188 LP1 HOH B 210 7.424 0.037 -9.009 1.00 0.00 EP
HETATM 1189 LP2 HOH B 210 7.287 -0.903 -9.644 1.00 0.00 EP
HETATM 1190 O HOH B 211 5.354 -7.177 0.571 1.00 0.00 O
HETATM 1191 H1 HOH B 211 5.853 -6.783 -0.144 1.00 0.00 H
HETATM 1192 H2 HOH B 211 5.538 -6.621 1.328 1.00 0.00 H
HETATM 1193 LP1 HOH B 211 5.567 -7.834 0.688 1.00 0.00 EP
HETATM 1194 LP2 HOH B 211 4.669 -7.177 0.425 1.00 0.00 EP
HETATM 1195 O HOH B 212 2.969 -6.084 -9.221 1.00 0.00 O
HETATM 1196 H1 HOH B 212 2.170 -5.631 -8.952 1.00 0.00 H
HETATM 1197 H2 HOH B 212 3.664 -5.437 -9.102 1.00 0.00 H
HETATM 1198 LP1 HOH B 212 2.927 -6.282 -9.892 1.00 0.00 EP
HETATM 1199 LP2 HOH B 212 3.082 -6.646 -8.819 1.00 0.00 EP
HETATM 1200 O HOH B 213 -10.621 8.214 2.058 1.00 0.00 O
HETATM 1201 H1 HOH B 213 -11.409 8.494 2.521 1.00 0.00 H
HETATM 1202 H2 HOH B 213 -9.916 8.732 2.446 1.00 0.00 H
HETATM 1203 LP1 HOH B 213 -10.676 8.346 1.372 1.00 0.00 EP
HETATM 1204 LP2 HOH B 213 -10.507 7.530 2.155 1.00 0.00 EP
HETATM 1205 O HOH B 214 1.637 -0.976 7.001 1.00 0.00 O
HETATM 1206 H1 HOH B 214 1.483 -0.228 7.578 1.00 0.00 H
HETATM 1207 H2 HOH B 214 2.560 -0.906 6.757 1.00 0.00 H
HETATM 1208 LP1 HOH B 214 1.228 -0.940 6.434 1.00 0.00 EP
HETATM 1209 LP2 HOH B 214 1.515 -1.578 7.338 1.00 0.00 EP
HETATM 1210 O HOH B 215 5.531 10.882 -2.367 1.00 0.00 O
HETATM 1211 H1 HOH B 215 6.076 11.647 -2.185 1.00 0.00 H
HETATM 1212 H2 HOH B 215 5.928 10.484 -3.142 1.00 0.00 H
HETATM 1213 LP1 HOH B 215 4.871 11.075 -2.499 1.00 0.00 EP
HETATM 1214 LP2 HOH B 215 5.541 10.437 -1.827 1.00 0.00 EP
HETATM 1215 O HOH B 216 2.797 -3.183 -6.749 1.00 0.00 O
HETATM 1216 H1 HOH B 216 3.387 -3.393 -7.473 1.00 0.00 H
HETATM 1217 H2 HOH B 216 1.979 -3.629 -6.969 1.00 0.00 H
HETATM 1218 LP1 HOH B 216 2.698 -2.492 -6.703 1.00 0.00 EP
HETATM 1219 LP2 HOH B 216 3.054 -3.423 -6.144 1.00 0.00 EP
HETATM 1220 O HOH B 217 -4.887 -9.268 7.088 1.00 0.00 O
HETATM 1221 H1 HOH B 217 -4.030 -8.844 7.030 1.00 0.00 H
HETATM 1222 H2 HOH B 217 -4.723 -10.176 6.832 1.00 0.00 H
HETATM 1223 LP1 HOH B 217 -5.342 -8.966 6.650 1.00 0.00 EP
HETATM 1224 LP2 HOH B 217 -5.135 -9.237 7.742 1.00 0.00 EP
HETATM 1225 O HOH B 218 -2.556 -5.441 8.038 1.00 0.00 O
HETATM 1226 H1 HOH B 218 -2.959 -4.712 7.566 1.00 0.00 H
HETATM 1227 H2 HOH B 218 -1.773 -5.063 8.438 1.00 0.00 H
HETATM 1228 LP1 HOH B 218 -2.384 -5.957 7.597 1.00 0.00 EP
HETATM 1229 LP2 HOH B 218 -2.990 -5.688 8.528 1.00 0.00 EP
HETATM 1230 O HOH B 219 8.065 5.255 6.017 1.00 0.00 O
HETATM 1231 H1 HOH B 219 7.572 5.150 5.202 1.00 0.00 H
HETATM 1232 H2 HOH B 219 8.492 4.408 6.149 1.00 0.00 H
HETATM 1233 LP1 HOH B 219 7.634 5.401 6.549 1.00 0.00 EP
HETATM 1234 LP2 HOH B 219 8.540 5.765 5.955 1.00 0.00 EP
HETATM 1235 O HOH B 220 -9.809 -8.469 -9.645 1.00 0.00 O
HETATM 1236 H1 HOH B 220 -10.160 -7.594 -9.810 1.00 0.00 H
HETATM 1237 H2 HOH B 220 -9.487 -8.763 -10.497 1.00 0.00 H
HETATM 1238 LP1 HOH B 220 -10.311 -8.897 -9.410 1.00 0.00 EP
HETATM 1239 LP2 HOH B 220 -9.287 -8.443 -9.179 1.00 0.00 EP
HETATM 1240 O HOH B 221 7.043 0.399 -5.881 1.00 0.00 O
HETATM 1241 H1 HOH B 221 6.890 1.141 -5.295 1.00 0.00 H
HETATM 1242 H2 HOH B 221 7.683 0.722 -6.515 1.00 0.00 H
HETATM 1243 LP1 HOH B 221 6.450 0.211 -6.202 1.00 0.00 EP
HETATM 1244 LP2 HOH B 221 7.300 -0.147 -5.526 1.00 0.00 EP
HETATM 1245 O HOH B 222 -10.571 1.382 -4.187 1.00 0.00 O
HETATM 1246 H1 HOH B 222 -10.769 2.033 -4.860 1.00 0.00 H
HETATM 1247 H2 HOH B 222 -10.722 0.540 -4.617 1.00 0.00 H
HETATM 1248 LP1 HOH B 222 -10.997 1.458 -3.636 1.00 0.00 EP
HETATM 1249 LP2 HOH B 222 -9.906 1.437 -3.977 1.00 0.00 EP
HETATM 1250 O HOH B 223 7.643 5.719 -9.947 1.00 0.00 O
HETATM 1251 H1 HOH B 223 6.961 6.171 -9.450 1.00 0.00 H
HETATM 1252 H2 HOH B 223 8.331 6.375 -10.061 1.00 0.00 H
HETATM 1253 LP1 HOH B 223 7.398 5.506 -10.567 1.00 0.00 EP
HETATM 1254 LP2 HOH B 223 7.885 5.168 -9.590 1.00 0.00 EP
HETATM 1255 O HOH B 224 6.964 -10.975 -1.704 1.00 0.00 O
HETATM 1256 H1 HOH B 224 6.546 -10.602 -0.928 1.00 0.00 H
HETATM 1257 H2 HOH B 224 7.806 -11.303 -1.388 1.00 0.00 H
HETATM 1258 LP1 HOH B 224 7.058 -10.484 -2.194 1.00 0.00 EP
HETATM 1259 LP2 HOH B 224 6.578 -11.496 -1.966 1.00 0.00 EP
HETATM 1260 O HOH B 225 8.892 -5.830 0.639 1.00 0.00 O
HETATM 1261 H1 HOH B 225 9.659 -5.380 0.284 1.00 0.00 H
HETATM 1262 H2 HOH B 225 8.267 -5.846 -0.086 1.00 0.00 H
HETATM 1263 LP1 HOH B 225 8.629 -5.478 1.184 1.00 0.00 EP
HETATM 1264 LP2 HOH B 225 9.056 -6.480 0.839 1.00 0.00 EP
HETATM 1265 O HOH B 226 11.199 8.911 3.355 1.00 0.00 O
HETATM 1266 H1 HOH B 226 10.906 8.278 4.010 1.00 0.00 H
HETATM 1267 H2 HOH B 226 10.456 9.001 2.758 1.00 0.00 H
HETATM 1268 LP1 HOH B 226 11.762 8.672 3.014 1.00 0.00 EP
HETATM 1269 LP2 HOH B 226 11.352 9.525 3.655 1.00 0.00 EP
HETATM 1270 O HOH B 227 -10.194 -1.510 -0.627 1.00 0.00 O
HETATM 1271 H1 HOH B 227 -9.422 -0.945 -0.626 1.00 0.00 H
HETATM 1272 H2 HOH B 227 -10.855 -1.012 -1.108 1.00 0.00 H
HETATM 1273 LP1 HOH B 227 -10.408 -1.637 0.028 1.00 0.00 EP
HETATM 1274 LP2 HOH B 227 -10.058 -2.116 -0.949 1.00 0.00 EP
HETATM 1275 O HOH B 228 9.173 11.689 -0.983 1.00 0.00 O
HETATM 1276 H1 HOH B 228 9.692 11.951 -0.223 1.00 0.00 H
HETATM 1277 H2 HOH B 228 8.842 10.819 -0.759 1.00 0.00 H
HETATM 1278 LP1 HOH B 228 9.572 11.661 -1.558 1.00 0.00 EP
HETATM 1279 LP2 HOH B 228 8.644 12.135 -1.088 1.00 0.00 EP
HETATM 1280 O HOH B 229 -9.913 -7.086 -3.218 1.00 0.00 O
HETATM 1281 H1 HOH B 229 -10.359 -7.710 -3.790 1.00 0.00 H
HETATM 1282 H2 HOH B 229 -9.643 -6.376 -3.801 1.00 0.00 H
HETATM 1283 LP1 HOH B 229 -9.356 -7.383 -2.915 1.00 0.00 EP
HETATM 1284 LP2 HOH B 229 -10.348 -6.848 -2.724 1.00 0.00 EP
HETATM 1285 O HOH B 230 -4.918 -11.596 0.948 1.00 0.00 O
HETATM 1286 H1 HOH B 230 -4.022 -11.261 0.967 1.00 0.00 H
HETATM 1287 H2 HOH B 230 -5.147 -11.615 0.019 1.00 0.00 H
HETATM 1288 LP1 HOH B 230 -5.349 -11.171 1.300 1.00 0.00 EP
HETATM 1289 LP2 HOH B 230 -4.948 -12.238 1.223 1.00 0.00 EP
HETATM 1290 O HOH B 231 -0.598 -5.536 -10.703 1.00 0.00 O
HETATM 1291 H1 HOH B 231 -1.153 -4.759 -10.763 1.00 0.00 H
HETATM 1292 H2 HOH B 231 -0.095 -5.535 -11.517 1.00 0.00 H
HETATM 1293 LP1 HOH B 231 -0.987 -6.116 -10.653 1.00 0.00 EP
HETATM 1294 LP2 HOH B 231 -0.172 -5.493 -10.149 1.00 0.00 EP
HETATM 1295 O HOH B 232 -2.953 -7.478 6.312 1.00 0.00 O
HETATM 1296 H1 HOH B 232 -2.839 -6.807 6.985 1.00 0.00 H
HETATM 1297 H2 HOH B 232 -2.064 -7.669 6.011 1.00 0.00 H
HETATM 1298 LP1 HOH B 232 -3.346 -7.237 5.786 1.00 0.00 EP
HETATM 1299 LP2 HOH B 232 -3.250 -8.051 6.583 1.00 0.00 EP
HETATM 1300 O HOH B 233 5.673 -9.949 0.437 1.00 0.00 O
HETATM 1301 H1 HOH B 233 5.959 -10.235 1.305 1.00 0.00 H
HETATM 1302 H2 HOH B 233 5.630 -8.995 0.501 1.00 0.00 H
HETATM 1303 LP1 HOH B 233 5.044 -10.215 0.283 1.00 0.00 EP
HETATM 1304 LP2 HOH B 233 6.135 -10.143 -0.052 1.00 0.00 EP
HETATM 1305 O HOH B 234 -7.879 4.694 2.249 1.00 0.00 O
HETATM 1306 H1 HOH B 234 -8.719 5.111 2.056 1.00 0.00 H
HETATM 1307 H2 HOH B 234 -7.791 4.762 3.200 1.00 0.00 H
HETATM 1308 LP1 HOH B 234 -7.356 5.031 1.928 1.00 0.00 EP
HETATM 1309 LP2 HOH B 234 -7.884 4.024 2.049 1.00 0.00 EP
HETATM 1310 O HOH B 235 -8.470 -6.902 9.919 1.00 0.00 O
HETATM 1311 H1 HOH B 235 -7.619 -6.935 9.483 1.00 0.00 H
HETATM 1312 H2 HOH B 235 -8.401 -6.164 10.525 1.00 0.00 H
HETATM 1313 LP1 HOH B 235 -8.593 -7.497 10.267 1.00 0.00 EP
HETATM 1314 LP2 HOH B 235 -8.982 -6.793 9.455 1.00 0.00 EP
HETATM 1315 O HOH B 236 7.288 -1.409 -0.129 1.00 0.00 O
HETATM 1316 H1 HOH B 236 6.499 -0.936 -0.393 1.00 0.00 H
HETATM 1317 H2 HOH B 236 7.820 -1.452 -0.923 1.00 0.00 H
HETATM 1318 LP1 HOH B 236 7.128 -2.052 0.097 1.00 0.00 EP
HETATM 1319 LP2 HOH B 236 7.627 -1.062 0.377 1.00 0.00 EP
HETATM 1320 O HOH B 237 -10.612 -4.129 -1.177 1.00 0.00 O
HETATM 1321 H1 HOH B 237 -10.373 -4.327 -2.083 1.00 0.00 H
HETATM 1322 H2 HOH B 237 -10.371 -3.210 -1.061 1.00 0.00 H
HETATM 1323 LP1 HOH B 237 -10.255 -4.536 -0.733 1.00 0.00 EP
HETATM 1324 LP2 HOH B 237 -11.299 -4.220 -1.077 1.00 0.00 EP
HETATM 1325 O HOH B 238 -7.763 -5.846 6.076 1.00 0.00 O
HETATM 1326 H1 HOH B 238 -7.334 -5.287 5.428 1.00 0.00 H
HETATM 1327 H2 HOH B 238 -8.009 -5.249 6.783 1.00 0.00 H
HETATM 1328 LP1 HOH B 238 -7.322 -6.337 6.309 1.00 0.00 EP
HETATM 1329 LP2 HOH B 238 -8.330 -6.152 5.802 1.00 0.00 EP
HETATM 1330 O HOH B 239 -6.223 -8.892 -8.068 1.00 0.00 O
HETATM 1331 H1 HOH B 239 -5.723 -8.567 -7.320 1.00 0.00 H
HETATM 1332 H2 HOH B 239 -6.085 -9.839 -8.056 1.00 0.00 H
HETATM 1333 LP1 HOH B 239 -5.984 -8.615 -8.665 1.00 0.00 EP
HETATM 1334 LP2 HOH B 239 -6.903 -8.740 -7.996 1.00 0.00 EP
HETATM 1335 O HOH B 240 7.276 -9.065 -3.563 1.00 0.00 O
HETATM 1336 H1 HOH B 240 7.195 -9.812 -2.970 1.00 0.00 H
HETATM 1337 H2 HOH B 240 7.091 -8.302 -3.015 1.00 0.00 H
HETATM 1338 LP1 HOH B 240 6.812 -9.112 -4.085 1.00 0.00 EP
HETATM 1339 LP2 HOH B 240 7.923 -9.028 -3.828 1.00 0.00 EP
HETATM 1340 O HOH B 241 9.164 -3.769 -2.419 1.00 0.00 O
HETATM 1341 H1 HOH B 241 8.462 -4.417 -2.364 1.00 0.00 H
HETATM 1342 H2 HOH B 241 8.710 -2.935 -2.545 1.00 0.00 H
HETATM 1343 LP1 HOH B 241 9.585 -3.905 -2.961 1.00 0.00 EP
HETATM 1344 LP2 HOH B 241 9.539 -3.759 -1.828 1.00 0.00 EP
HETATM 1345 O HOH B 242 6.795 -5.869 -5.030 1.00 0.00 O
HETATM 1346 H1 HOH B 242 6.693 -5.822 -4.079 1.00 0.00 H
HETATM 1347 H2 HOH B 242 7.652 -6.274 -5.160 1.00 0.00 H
HETATM 1348 LP1 HOH B 242 6.779 -5.228 -5.312 1.00 0.00 EP
HETATM 1349 LP2 HOH B 242 6.289 -6.261 -5.314 1.00 0.00 EP
HETATM 1350 O HOH B 243 -8.699 5.565 9.045 1.00 0.00 O
HETATM 1351 H1 HOH B 243 -9.576 5.214 9.202 1.00 0.00 H
HETATM 1352 H2 HOH B 243 -8.126 4.799 9.064 1.00 0.00 H
HETATM 1353 LP1 HOH B 243 -8.521 6.019 9.548 1.00 0.00 EP
HETATM 1354 LP2 HOH B 243 -8.667 5.883 8.422 1.00 0.00 EP
HETATM 1355 O HOH B 244 0.118 -7.392 -0.889 1.00 0.00 O
HETATM 1356 H1 HOH B 244 1.057 -7.240 -0.776 1.00 0.00 H
HETATM 1357 H2 HOH B 244 -0.115 -7.990 -0.180 1.00 0.00 H
HETATM 1358 LP1 HOH B 244 -0.011 -7.684 -1.512 1.00 0.00 EP
HETATM 1359 LP2 HOH B 244 -0.238 -6.792 -0.834 1.00 0.00 EP
HETATM 1360 O HOH B 245 -7.630 -6.247 2.982 1.00 0.00 O
HETATM 1361 H1 HOH B 245 -8.404 -6.543 3.461 1.00 0.00 H
HETATM 1362 H2 HOH B 245 -7.980 -5.824 2.198 1.00 0.00 H
HETATM 1363 LP1 HOH B 245 -7.224 -6.791 2.810 1.00 0.00 EP
HETATM 1364 LP2 HOH B 245 -7.260 -5.792 3.365 1.00 0.00 EP
HETATM 1365 O HOH B 246 -10.805 7.249 -3.138 1.00 0.00 O
HETATM 1366 H1 HOH B 246 -10.462 6.710 -2.425 1.00 0.00 H
HETATM 1367 H2 HOH B 246 -11.705 7.445 -2.878 1.00 0.00 H
HETATM 1368 LP1 HOH B 246 -10.792 6.896 -3.742 1.00 0.00 EP
HETATM 1369 LP2 HOH B 246 -10.432 7.838 -3.203 1.00 0.00 EP
HETATM 1370 O HOH B 247 -1.031 4.308 8.226 1.00 0.00 O
HETATM 1371 H1 HOH B 247 -0.678 3.897 7.437 1.00 0.00 H
HETATM 1372 H2 HOH B 247 -1.967 4.109 8.202 1.00 0.00 H
HETATM 1373 LP1 HOH B 247 -0.924 5.000 8.213 1.00 0.00 EP
HETATM 1374 LP2 HOH B 247 -0.735 4.038 8.800 1.00 0.00 EP
HETATM 1375 O HOH B 248 8.352 -4.852 3.061 1.00 0.00 O
HETATM 1376 H1 HOH B 248 7.400 -4.945 3.102 1.00 0.00 H
HETATM 1377 H2 HOH B 248 8.591 -5.207 2.205 1.00 0.00 H
HETATM 1378 LP1 HOH B 248 8.658 -5.216 3.575 1.00 0.00 EP
HETATM 1379 LP2 HOH B 248 8.536 -4.178 3.110 1.00 0.00 EP
HETATM 1380 O HOH B 249 -8.824 -1.211 -10.134 1.00 0.00 O
HETATM 1381 H1 HOH B 249 -9.522 -0.897 -9.560 1.00 0.00 H
HETATM 1382 H2 HOH B 249 -8.018 -0.884 -9.734 1.00 0.00 H
HETATM 1383 LP1 HOH B 249 -8.901 -0.953 -10.781 1.00 0.00 EP
HETATM 1384 LP2 HOH B 249 -8.821 -1.910 -10.161 1.00 0.00 EP
HETATM 1385 O HOH B 250 3.905 6.239 -10.347 1.00 0.00 O
HETATM 1386 H1 HOH B 250 3.621 5.370 -10.063 1.00 0.00 H
HETATM 1387 H2 HOH B 250 4.377 6.081 -11.164 1.00 0.00 H
HETATM 1388 LP1 HOH B 250 4.326 6.530 -9.870 1.00 0.00 EP
HETATM 1389 LP2 HOH B 250 3.353 6.656 -10.456 1.00 0.00 EP
HETATM 1390 O HOH B 251 8.395 2.672 5.375 1.00 0.00 O
HETATM 1391 H1 HOH B 251 8.019 2.938 4.536 1.00 0.00 H
HETATM 1392 H2 HOH B 251 7.725 2.115 5.772 1.00 0.00 H
HETATM 1393 LP1 HOH B 251 8.523 3.231 5.777 1.00 0.00 EP
HETATM 1394 LP2 HOH B 251 8.988 2.314 5.277 1.00 0.00 EP
HETATM 1395 O HOH B 252 8.688 -10.431 4.523 1.00 0.00 O
HETATM 1396 H1 HOH B 252 8.757 -11.086 5.218 1.00 0.00 H
HETATM 1397 H2 HOH B 252 8.531 -9.608 4.985 1.00 0.00 H
HETATM 1398 LP1 HOH B 252 8.155 -10.580 4.094 1.00 0.00 EP
HETATM 1399 LP2 HOH B 252 9.282 -10.398 4.154 1.00 0.00 EP
HETATM 1400 O HOH B 253 -4.298 6.144 -5.923 1.00 0.00 O
HETATM 1401 H1 HOH B 253 -4.407 5.322 -5.444 1.00 0.00 H
HETATM 1402 H2 HOH B 253 -4.613 5.950 -6.806 1.00 0.00 H
HETATM 1403 LP1 HOH B 253 -3.625 6.335 -5.937 1.00 0.00 EP
HETATM 1404 LP2 HOH B 253 -4.679 6.653 -5.631 1.00 0.00 EP
HETATM 1405 O HOH B 254 -12.671 0.537 -7.207 1.00 0.00 O
HETATM 1406 H1 HOH B 254 -12.391 1.414 -6.946 1.00 0.00 H
HETATM 1407 H2 HOH B 254 -13.584 0.645 -7.473 1.00 0.00 H
HETATM 1408 LP1 HOH B 254 -12.621 0.091 -6.670 1.00 0.00 EP
HETATM 1409 LP2 HOH B 254 -12.284 0.302 -7.741 1.00 0.00 EP
HETATM 1410 O HOH B 255 8.539 -3.335 -7.072 1.00 0.00 O
HETATM 1411 H1 HOH B 255 9.446 -3.073 -7.230 1.00 0.00 H
HETATM 1412 H2 HOH B 255 8.305 -2.905 -6.250 1.00 0.00 H
HETATM 1413 LP1 HOH B 255 8.490 -4.031 -7.010 1.00 0.00 EP
HETATM 1414 LP2 HOH B 255 8.124 -3.117 -7.592 1.00 0.00 EP
HETATM 1415 O HOH B 256 4.773 -11.615 -6.746 1.00 0.00 O
HETATM 1416 H1 HOH B 256 4.283 -12.119 -6.096 1.00 0.00 H
HETATM 1417 H2 HOH B 256 5.060 -10.832 -6.276 1.00 0.00 H
HETATM 1418 LP1 HOH B 256 4.363 -11.443 -7.287 1.00 0.00 EP
HETATM 1419 LP2 HOH B 256 5.324 -11.980 -6.978 1.00 0.00 EP
HETATM 1420 O HOH B 257 5.955 -3.656 0.377 1.00 0.00 O
HETATM 1421 H1 HOH B 257 6.587 -2.942 0.290 1.00 0.00 H
HETATM 1422 H2 HOH B 257 6.185 -4.266 -0.325 1.00 0.00 H
HETATM 1423 LP1 HOH B 257 5.301 -3.419 0.294 1.00 0.00 EP
HETATM 1424 LP2 HOH B 257 6.014 -3.964 1.002 1.00 0.00 EP
HETATM 1425 O HOH B 258 8.827 6.100 2.316 1.00 0.00 O
HETATM 1426 H1 HOH B 258 9.418 6.173 3.066 1.00 0.00 H
HETATM 1427 H2 HOH B 258 8.076 5.610 2.650 1.00 0.00 H
HETATM 1428 LP1 HOH B 258 9.135 5.753 1.792 1.00 0.00 EP
HETATM 1429 LP2 HOH B 258 8.631 6.733 2.093 1.00 0.00 EP
HETATM 1430 O HOH B 259 -11.478 -0.853 -5.236 1.00 0.00 O
HETATM 1431 H1 HOH B 259 -12.089 -0.526 -5.896 1.00 0.00 H
HETATM 1432 H2 HOH B 259 -10.941 -1.493 -5.703 1.00 0.00 H
HETATM 1433 LP1 HOH B 259 -11.823 -1.158 -4.708 1.00 0.00 EP
HETATM 1434 LP2 HOH B 259 -11.082 -0.333 -4.986 1.00 0.00 EP
HETATM 1435 O HOH B 260 5.037 -3.095 -2.913 1.00 0.00 O
HETATM 1436 H1 HOH B 260 5.433 -3.854 -2.486 1.00 0.00 H
HETATM 1437 H2 HOH B 260 4.826 -2.498 -2.195 1.00 0.00 H
HETATM 1438 LP1 HOH B 260 4.457 -3.280 -3.259 1.00 0.00 EP
HETATM 1439 LP2 HOH B 260 5.489 -2.797 -3.357 1.00 0.00 EP
HETATM 1440 O HOH B 261 2.848 -7.556 -0.240 1.00 0.00 O
HETATM 1441 H1 HOH B 261 3.632 -7.217 0.191 1.00 0.00 H
HETATM 1442 H2 HOH B 261 2.681 -8.394 0.190 1.00 0.00 H
HETATM 1443 LP1 HOH B 261 2.962 -7.648 -0.925 1.00 0.00 EP
HETATM 1444 LP2 HOH B 261 2.307 -7.120 -0.151 1.00 0.00 EP
HETATM 1445 O HOH B 262 7.804 -5.907 -8.277 1.00 0.00 O
HETATM 1446 H1 HOH B 262 8.065 -5.330 -7.559 1.00 0.00 H
HETATM 1447 H2 HOH B 262 7.347 -5.333 -8.892 1.00 0.00 H
HETATM 1448 LP1 HOH B 262 7.378 -6.412 -8.047 1.00 0.00 EP
HETATM 1449 LP2 HOH B 262 8.366 -6.195 -8.580 1.00 0.00 EP
HETATM 1450 O HOH B 263 7.905 -8.153 5.684 1.00 0.00 O
HETATM 1451 H1 HOH B 263 7.190 -7.944 5.082 1.00 0.00 H
HETATM 1452 H2 HOH B 263 8.486 -7.394 5.638 1.00 0.00 H
HETATM 1453 LP1 HOH B 263 8.239 -8.733 5.479 1.00 0.00 EP
HETATM 1454 LP2 HOH B 263 7.662 -8.240 6.334 1.00 0.00 EP
HETATM 1455 O HOH B 264 8.727 1.091 -7.845 1.00 0.00 O
HETATM 1456 H1 HOH B 264 8.668 1.998 -8.147 1.00 0.00 H
HETATM 1457 H2 HOH B 264 8.295 0.582 -8.532 1.00 0.00 H
HETATM 1458 LP1 HOH B 264 8.396 1.012 -7.234 1.00 0.00 EP
HETATM 1459 LP2 HOH B 264 9.395 0.896 -7.776 1.00 0.00 EP
HETATM 1460 O HOH B 265 -7.317 -2.586 10.086 1.00 0.00 O
HETATM 1461 H1 HOH B 265 -7.589 -1.670 10.147 1.00 0.00 H
HETATM 1462 H2 HOH B 265 -6.366 -2.561 10.189 1.00 0.00 H
HETATM 1463 LP1 HOH B 265 -7.491 -2.855 9.463 1.00 0.00 EP
HETATM 1464 LP2 HOH B 265 -7.611 -2.966 10.594 1.00 0.00 EP
HETATM 1465 O HOH B 266 -7.753 -4.813 11.484 1.00 0.00 O
HETATM 1466 H1 HOH B 266 -7.728 -4.005 10.972 1.00 0.00 H
HETATM 1467 H2 HOH B 266 -8.070 -4.541 12.346 1.00 0.00 H
HETATM 1468 LP1 HOH B 266 -7.114 -5.095 11.533 1.00 0.00 EP
HETATM 1469 LP2 HOH B 266 -8.190 -5.276 11.194 1.00 0.00 EP
HETATM 1470 O HOH B 267 6.125 5.973 -6.340 1.00 0.00 O
HETATM 1471 H1 HOH B 267 5.893 5.082 -6.603 1.00 0.00 H
HETATM 1472 H2 HOH B 267 6.027 6.493 -7.138 1.00 0.00 H
HETATM 1473 LP1 HOH B 267 6.785 5.998 -6.108 1.00 0.00 EP
HETATM 1474 LP2 HOH B 267 5.693 6.203 -5.840 1.00 0.00 EP
HETATM 1475 O HOH B 268 6.879 -3.565 11.391 1.00 0.00 O
HETATM 1476 H1 HOH B 268 7.595 -4.113 11.069 1.00 0.00 H
HETATM 1477 H2 HOH B 268 6.105 -4.126 11.338 1.00 0.00 H
HETATM 1478 LP1 HOH B 268 6.801 -2.998 10.988 1.00 0.00 EP
HETATM 1479 LP2 HOH B 268 6.996 -3.367 12.052 1.00 0.00 EP
HETATM 1480 O HOH B 269 -10.360 -7.288 -6.872 1.00 0.00 O
HETATM 1481 H1 HOH B 269 -11.022 -7.025 -7.513 1.00 0.00 H
HETATM 1482 H2 HOH B 269 -10.841 -7.815 -6.234 1.00 0.00 H
HETATM 1483 LP1 HOH B 269 -10.076 -6.726 -6.566 1.00 0.00 EP
HETATM 1484 LP2 HOH B 269 -9.857 -7.667 -7.177 1.00 0.00 EP
HETATM 1485 O HOH B 270 4.533 -5.447 10.101 1.00 0.00 O
HETATM 1486 H1 HOH B 270 3.905 -6.051 9.705 1.00 0.00 H
HETATM 1487 H2 HOH B 270 5.357 -5.626 9.649 1.00 0.00 H
HETATM 1488 LP1 HOH B 270 4.595 -5.570 10.788 1.00 0.00 EP
HETATM 1489 LP2 HOH B 270 4.334 -4.783 10.000 1.00 0.00 EP
HETATM 1490 O HOH B 271 6.757 -5.858 8.748 1.00 0.00 O
HETATM 1491 H1 HOH B 271 7.062 -6.762 8.673 1.00 0.00 H
HETATM 1492 H2 HOH B 271 7.527 -5.368 9.036 1.00 0.00 H
HETATM 1493 LP1 HOH B 271 6.242 -5.809 9.220 1.00 0.00 EP
HETATM 1494 LP2 HOH B 271 6.530 -5.621 8.130 1.00 0.00 EP
HETATM 1495 O HOH B 272 6.996 -1.656 9.553 1.00 0.00 O
HETATM 1496 H1 HOH B 272 6.886 -2.277 10.274 1.00 0.00 H
HETATM 1497 H2 HOH B 272 6.537 -0.868 9.844 1.00 0.00 H
HETATM 1498 LP1 HOH B 272 6.710 -1.906 8.966 1.00 0.00 EP
HETATM 1499 LP2 HOH B 272 7.674 -1.521 9.444 1.00 0.00 EP
HETATM 1500 O HOH B 273 9.221 -0.015 1.189 1.00 0.00 O
HETATM 1501 H1 HOH B 273 8.458 -0.477 0.841 1.00 0.00 H
HETATM 1502 H2 HOH B 273 9.048 0.908 1.002 1.00 0.00 H
HETATM 1503 LP1 HOH B 273 9.806 -0.227 0.869 1.00 0.00 EP
HETATM 1504 LP2 HOH B 273 9.280 -0.121 1.878 1.00 0.00 EP
HETATM 1505 O HOH B 274 8.851 -4.576 9.733 1.00 0.00 O
HETATM 1506 H1 HOH B 274 9.126 -3.805 9.237 1.00 0.00 H
HETATM 1507 H2 HOH B 274 9.663 -5.054 9.903 1.00 0.00 H
HETATM 1508 LP1 HOH B 274 8.408 -4.967 9.358 1.00 0.00 EP
HETATM 1509 LP2 HOH B 274 8.545 -4.387 10.334 1.00 0.00 EP
HETATM 1510 O HOH B 275 -10.174 -2.723 1.810 1.00 0.00 O
HETATM 1511 H1 HOH B 275 -10.980 -2.596 2.310 1.00 0.00 H
HETATM 1512 H2 HOH B 275 -10.312 -2.227 1.002 1.00 0.00 H
HETATM 1513 LP1 HOH B 275 -10.073 -3.401 1.670 1.00 0.00 EP
HETATM 1514 LP2 HOH B 275 -9.623 -2.473 2.162 1.00 0.00 EP
HETATM 1515 O HOH B 276 8.073 2.320 0.578 1.00 0.00 O
HETATM 1516 H1 HOH B 276 8.570 3.133 0.491 1.00 0.00 H
HETATM 1517 H2 HOH B 276 7.395 2.520 1.223 1.00 0.00 H
HETATM 1518 LP1 HOH B 276 8.485 1.801 0.804 1.00 0.00 EP
HETATM 1519 LP2 HOH B 276 7.786 2.139 -0.035 1.00 0.00 EP
HETATM 1520 O HOH B 277 -8.592 2.385 4.554 1.00 0.00 O
HETATM 1521 H1 HOH B 277 -8.159 3.186 4.849 1.00 0.00 H
HETATM 1522 H2 HOH B 277 -9.416 2.685 4.170 1.00 0.00 H
HETATM 1523 LP1 HOH B 277 -8.712 1.956 5.093 1.00 0.00 EP
HETATM 1524 LP2 HOH B 277 -8.202 2.055 4.075 1.00 0.00 EP
HETATM 1525 O HOH B 278 -8.705 0.417 6.326 1.00 0.00 O
HETATM 1526 H1 HOH B 278 -7.837 0.541 6.710 1.00 0.00 H
HETATM 1527 H2 HOH B 278 -8.793 1.132 5.695 1.00 0.00 H
HETATM 1528 LP1 HOH B 278 -9.202 0.459 6.817 1.00 0.00 EP
HETATM 1529 LP2 HOH B 278 -8.747 -0.203 6.004 1.00 0.00 EP
HETATM 1530 O HOH B 279 6.372 -2.552 7.072 1.00 0.00 O
HETATM 1531 H1 HOH B 279 5.650 -1.943 6.919 1.00 0.00 H
HETATM 1532 H2 HOH B 279 6.611 -2.415 7.989 1.00 0.00 H
HETATM 1533 LP1 HOH B 279 6.912 -2.406 6.652 1.00 0.00 EP
HETATM 1534 LP2 HOH B 279 6.166 -3.213 6.967 1.00 0.00 EP
HETATM 1535 O HOH B 280 3.629 -7.797 3.480 1.00 0.00 O
HETATM 1536 H1 HOH B 280 3.501 -8.080 4.386 1.00 0.00 H
HETATM 1537 H2 HOH B 280 3.290 -6.903 3.458 1.00 0.00 H
HETATM 1538 LP1 HOH B 280 3.273 -8.208 3.040 1.00 0.00 EP
HETATM 1539 LP2 HOH B 280 4.309 -7.808 3.312 1.00 0.00 EP
HETATM 1540 O HOH B 281 -5.358 -8.814 10.973 1.00 0.00 O
HETATM 1541 H1 HOH B 281 -4.775 -8.288 10.425 1.00 0.00 H
HETATM 1542 H2 HOH B 281 -4.776 -9.247 11.597 1.00 0.00 H
HETATM 1543 LP1 HOH B 281 -5.702 -9.286 10.586 1.00 0.00 EP
HETATM 1544 LP2 HOH B 281 -5.819 -8.406 11.306 1.00 0.00 EP
HETATM 1545 O HOH B 282 -11.893 2.202 9.021 1.00 0.00 O
HETATM 1546 H1 HOH B 282 -12.542 1.962 8.360 1.00 0.00 H
HETATM 1547 H2 HOH B 282 -11.210 1.537 8.941 1.00 0.00 H
HETATM 1548 LP1 HOH B 282 -12.177 2.190 9.661 1.00 0.00 EP
HETATM 1549 LP2 HOH B 282 -11.634 2.840 8.893 1.00 0.00 EP
HETATM 1550 O HOH B 283 -10.210 0.239 8.514 1.00 0.00 O
HETATM 1551 H1 HOH B 283 -9.465 0.114 9.102 1.00 0.00 H
HETATM 1552 H2 HOH B 283 -9.818 0.318 7.644 1.00 0.00 H
HETATM 1553 LP1 HOH B 283 -10.561 0.821 8.680 1.00 0.00 EP
HETATM 1554 LP2 HOH B 283 -10.642 -0.311 8.541 1.00 0.00 EP
HETATM 1555 O HOH B 284 -8.311 -3.778 -10.168 1.00 0.00 O
HETATM 1556 H1 HOH B 284 -8.639 -2.883 -10.257 1.00 0.00 H
HETATM 1557 H2 HOH B 284 -7.508 -3.688 -9.654 1.00 0.00 H
HETATM 1558 LP1 HOH B 284 -8.173 -4.054 -10.796 1.00 0.00 EP
HETATM 1559 LP2 HOH B 284 -8.776 -4.179 -9.833 1.00 0.00 EP
HETATM 1560 O HOH B 285 1.601 -3.391 8.088 1.00 0.00 O
HETATM 1561 H1 HOH B 285 1.473 -2.532 7.686 1.00 0.00 H
HETATM 1562 H2 HOH B 285 1.951 -3.937 7.384 1.00 0.00 H
HETATM 1563 LP1 HOH B 285 0.993 -3.649 8.321 1.00 0.00 EP
HETATM 1564 LP2 HOH B 285 2.056 -3.351 8.619 1.00 0.00 EP
HETATM 1565 O HOH B 286 5.290 3.942 9.788 1.00 0.00 O
HETATM 1566 H1 HOH B 286 5.538 4.220 10.670 1.00 0.00 H
HETATM 1567 H2 HOH B 286 5.849 4.458 9.208 1.00 0.00 H
HETATM 1568 LP1 HOH B 286 4.614 4.079 9.667 1.00 0.00 EP
HETATM 1569 LP2 HOH B 286 5.409 3.258 9.702 1.00 0.00 EP
HETATM 1570 O HOH B 287 -7.293 -8.797 4.599 1.00 0.00 O
HETATM 1571 H1 HOH B 287 -7.346 -9.752 4.638 1.00 0.00 H
HETATM 1572 H2 HOH B 287 -8.204 -8.508 4.548 1.00 0.00 H
HETATM 1573 LP1 HOH B 287 -6.936 -8.592 4.033 1.00 0.00 EP
HETATM 1574 LP2 HOH B 287 -6.985 -8.542 5.174 1.00 0.00 EP
HETATM 1575 O HOH B 288 -7.660 -8.035 -5.611 1.00 0.00 O
HETATM 1576 H1 HOH B 288 -7.605 -8.793 -5.029 1.00 0.00 H
HETATM 1577 H2 HOH B 288 -6.785 -7.648 -5.585 1.00 0.00 H
HETATM 1578 LP1 HOH B 288 -8.139 -7.580 -5.380 1.00 0.00 EP
HETATM 1579 LP2 HOH B 288 -7.823 -8.234 -6.262 1.00 0.00 EP
HETATM 1580 O HOH B 289 9.419 -2.261 8.477 1.00 0.00 O
HETATM 1581 H1 HOH B 289 10.151 -1.696 8.722 1.00 0.00 H
HETATM 1582 H2 HOH B 289 8.645 -1.810 8.814 1.00 0.00 H
HETATM 1583 LP1 HOH B 289 9.485 -2.893 8.770 1.00 0.00 EP
HETATM 1584 LP2 HOH B 289 9.382 -2.329 7.781 1.00 0.00 EP
HETATM 1585 O HOH B 290 9.684 5.071 -6.463 1.00 0.00 O
HETATM 1586 H1 HOH B 290 9.210 4.633 -7.170 1.00 0.00 H
HETATM 1587 H2 HOH B 290 10.607 4.976 -6.699 1.00 0.00 H
HETATM 1588 LP1 HOH B 290 9.553 4.763 -5.849 1.00 0.00 EP
HETATM 1589 LP2 HOH B 290 9.506 5.747 -6.428 1.00 0.00 EP
HETATM 1590 O HOH B 291 4.594 -11.139 4.809 1.00 0.00 O
HETATM 1591 H1 HOH B 291 5.207 -10.946 4.100 1.00 0.00 H
HETATM 1592 H2 HOH B 291 4.324 -10.280 5.134 1.00 0.00 H
HETATM 1593 LP1 HOH B 291 4.908 -11.508 5.314 1.00 0.00 EP
HETATM 1594 LP2 HOH B 291 4.042 -11.497 4.568 1.00 0.00 EP
HETATM 1595 O HOH B 292 3.694 -9.635 -3.632 1.00 0.00 O
HETATM 1596 H1 HOH B 292 4.224 -9.602 -4.428 1.00 0.00 H
HETATM 1597 H2 HOH B 292 3.763 -8.756 -3.261 1.00 0.00 H
HETATM 1598 LP1 HOH B 292 3.946 -10.112 -3.186 1.00 0.00 EP
HETATM 1599 LP2 HOH B 292 3.028 -9.787 -3.785 1.00 0.00 EP
HETATM 1600 O HOH B 293 3.826 -7.169 -2.670 1.00 0.00 O
HETATM 1601 H1 HOH B 293 4.687 -6.811 -2.452 1.00 0.00 H
HETATM 1602 H2 HOH B 293 3.395 -7.288 -1.825 1.00 0.00 H
HETATM 1603 LP1 HOH B 293 3.890 -7.781 -3.004 1.00 0.00 EP
HETATM 1604 LP2 HOH B 293 3.467 -6.721 -3.071 1.00 0.00 EP
HETATM 1605 O HOH B 294 4.452 -11.509 7.810 1.00 0.00 O
HETATM 1606 H1 HOH B 294 3.762 -11.361 7.163 1.00 0.00 H
HETATM 1607 H2 HOH B 294 5.156 -11.931 7.317 1.00 0.00 H
HETATM 1608 LP1 HOH B 294 4.224 -11.927 8.323 1.00 0.00 EP
HETATM 1609 LP2 HOH B 294 4.670 -10.902 8.082 1.00 0.00 EP
HETATM 1610 O HOH B 295 5.604 -9.379 -5.607 1.00 0.00 O
HETATM 1611 H1 HOH B 295 6.297 -9.329 -4.949 1.00 0.00 H
HETATM 1612 H2 HOH B 295 5.939 -8.875 -6.348 1.00 0.00 H
HETATM 1613 LP1 HOH B 295 5.011 -9.097 -5.364 1.00 0.00 EP
HETATM 1614 LP2 HOH B 295 5.486 -10.044 -5.792 1.00 0.00 EP
HETATM 1615 O HOH B 296 9.375 -0.524 3.794 1.00 0.00 O
HETATM 1616 H1 HOH B 296 9.537 -0.192 2.911 1.00 0.00 H
HETATM 1617 H2 HOH B 296 8.610 -0.036 4.098 1.00 0.00 H
HETATM 1618 LP1 HOH B 296 9.926 -0.404 4.209 1.00 0.00 EP
HETATM 1619 LP2 HOH B 296 9.240 -1.211 3.779 1.00 0.00 EP
HETATM 1620 O HOH B 297 -9.170 6.429 6.614 1.00 0.00 O
HETATM 1621 H1 HOH B 297 -8.924 6.134 7.490 1.00 0.00 H
HETATM 1622 H2 HOH B 297 -10.109 6.255 6.556 1.00 0.00 H
HETATM 1623 LP1 HOH B 297 -8.821 6.069 6.125 1.00 0.00 EP
HETATM 1624 LP2 HOH B 297 -9.040 7.113 6.537 1.00 0.00 EP
HETATM 1625 O HOH B 298 5.046 7.168 -4.285 1.00 0.00 O
HETATM 1626 H1 HOH B 298 4.093 7.195 -4.373 1.00 0.00 H
HETATM 1627 H2 HOH B 298 5.343 6.670 -5.047 1.00 0.00 H
HETATM 1628 LP1 HOH B 298 5.230 6.846 -3.692 1.00 0.00 EP
HETATM 1629 LP2 HOH B 298 5.313 7.815 -4.293 1.00 0.00 EP
HETATM 1630 O HOH B 299 7.781 8.770 -7.171 1.00 0.00 O
HETATM 1631 H1 HOH B 299 6.901 8.412 -7.056 1.00 0.00 H
HETATM 1632 H2 HOH B 299 7.664 9.718 -7.115 1.00 0.00 H
HETATM 1633 LP1 HOH B 299 8.042 8.589 -7.795 1.00 0.00 EP
HETATM 1634 LP2 HOH B 299 8.208 8.543 -6.665 1.00 0.00 EP
HETATM 1635 O HOH B 300 8.975 8.701 1.855 1.00 0.00 O
HETATM 1636 H1 HOH B 300 8.978 8.839 0.908 1.00 0.00 H
HETATM 1637 H2 HOH B 300 8.791 7.768 1.961 1.00 0.00 H
HETATM 1638 LP1 HOH B 300 8.478 9.088 2.160 1.00 0.00 EP
HETATM 1639 LP2 HOH B 300 9.598 8.863 2.130 1.00 0.00 EP
HETATM 1640 O HOH B 301 10.217 10.696 -3.350 1.00 0.00 O
HETATM 1641 H1 HOH B 301 9.691 9.903 -3.251 1.00 0.00 H
HETATM 1642 H2 HOH B 301 9.985 11.234 -2.593 1.00 0.00 H
HETATM 1643 LP1 HOH B 301 10.057 11.026 -3.946 1.00 0.00 EP
HETATM 1644 LP2 HOH B 301 10.900 10.543 -3.344 1.00 0.00 EP
HETATM 1645 O HOH B 302 -6.924 9.198 8.989 1.00 0.00 O
HETATM 1646 H1 HOH B 302 -7.427 8.994 8.201 1.00 0.00 H
HETATM 1647 H2 HOH B 302 -6.931 10.154 9.038 1.00 0.00 H
HETATM 1648 LP1 HOH B 302 -6.269 8.958 8.934 1.00 0.00 EP
HETATM 1649 LP2 HOH B 302 -7.228 8.919 9.555 1.00 0.00 EP
HETATM 1650 O HOH B 303 8.112 5.832 -2.041 1.00 0.00 O
HETATM 1651 H1 HOH B 303 7.191 5.937 -1.801 1.00 0.00 H
HETATM 1652 H2 HOH B 303 8.100 5.230 -2.784 1.00 0.00 H
HETATM 1653 LP1 HOH B 303 8.477 5.560 -1.508 1.00 0.00 EP
HETATM 1654 LP2 HOH B 303 8.391 6.447 -2.225 1.00 0.00 EP
HETATM 1655 O HOH B 304 8.412 9.210 -0.653 1.00 0.00 O
HETATM 1656 H1 HOH B 304 7.467 9.072 -0.601 1.00 0.00 H
HETATM 1657 H2 HOH B 304 8.684 8.721 -1.429 1.00 0.00 H
HETATM 1658 LP1 HOH B 304 8.731 8.963 -0.081 1.00 0.00 EP
HETATM 1659 LP2 HOH B 304 8.559 9.891 -0.726 1.00 0.00 EP
HETATM 1660 O HOH B 305 9.488 7.210 4.816 1.00 0.00 O
HETATM 1661 H1 HOH B 305 8.876 7.934 4.947 1.00 0.00 H
HETATM 1662 H2 HOH B 305 9.204 6.540 5.438 1.00 0.00 H
HETATM 1663 LP1 HOH B 305 10.144 7.413 4.953 1.00 0.00 EP
HETATM 1664 LP2 HOH B 305 9.451 6.970 4.160 1.00 0.00 EP
HETATM 1665 O HOH B 306 6.558 9.346 -4.200 1.00 0.00 O
HETATM 1666 H1 HOH B 306 5.938 8.621 -4.283 1.00 0.00 H
HETATM 1667 H2 HOH B 306 7.356 8.942 -3.861 1.00 0.00 H
HETATM 1668 LP1 HOH B 306 6.316 9.828 -3.754 1.00 0.00 EP
HETATM 1669 LP2 HOH B 306 6.676 9.643 -4.823 1.00 0.00 EP
HETATM 1670 O HOH B 307 9.334 4.619 0.135 1.00 0.00 O
HETATM 1671 H1 HOH B 307 9.245 5.214 0.880 1.00 0.00 H
HETATM 1672 H2 HOH B 307 8.963 5.103 -0.603 1.00 0.00 H
HETATM 1673 LP1 HOH B 307 8.978 4.027 0.248 1.00 0.00 EP
HETATM 1674 LP2 HOH B 307 10.007 4.468 0.018 1.00 0.00 EP
HETATM 1675 O HOH B 308 3.996 10.167 5.550 1.00 0.00 O
HETATM 1676 H1 HOH B 308 3.936 9.424 4.950 1.00 0.00 H
HETATM 1677 H2 HOH B 308 4.067 10.932 4.979 1.00 0.00 H
HETATM 1678 LP1 HOH B 308 4.562 10.110 5.958 1.00 0.00 EP
HETATM 1679 LP2 HOH B 308 3.423 10.209 5.950 1.00 0.00 EP
HETATM 1680 O HOH B 309 -11.194 4.735 8.944 1.00 0.00 O
HETATM 1681 H1 HOH B 309 -11.360 3.793 8.920 1.00 0.00 H
HETATM 1682 H2 HOH B 309 -11.846 5.077 9.557 1.00 0.00 H
HETATM 1683 LP1 HOH B 309 -11.279 5.018 8.310 1.00 0.00 EP
HETATM 1684 LP2 HOH B 309 -10.546 4.866 9.174 1.00 0.00 EP
HETATM 1685 O HOH B 310 -4.581 10.299 4.752 1.00 0.00 O
HETATM 1686 H1 HOH B 310 -4.630 10.954 5.448 1.00 0.00 H
HETATM 1687 H2 HOH B 310 -3.661 10.035 4.736 1.00 0.00 H
HETATM 1688 LP1 HOH B 310 -4.769 10.577 4.137 1.00 0.00 EP
HETATM 1689 LP2 HOH B 310 -4.993 9.752 4.897 1.00 0.00 EP
HETATM 1690 O HOH B 311 3.647 10.593 -10.165 1.00 0.00 O
HETATM 1691 H1 HOH B 311 3.095 9.880 -9.844 1.00 0.00 H
HETATM 1692 H2 HOH B 311 4.535 10.237 -10.147 1.00 0.00 H
HETATM 1693 LP1 HOH B 311 3.597 11.153 -9.748 1.00 0.00 EP
HETATM 1694 LP2 HOH B 311 3.466 10.772 -10.817 1.00 0.00 EP
HETATM 1695 O HOH B 312 3.172 -5.171 3.642 1.00 0.00 O
HETATM 1696 H1 HOH B 312 2.999 -4.958 4.559 1.00 0.00 H
HETATM 1697 H2 HOH B 312 2.525 -4.665 3.152 1.00 0.00 H
HETATM 1698 LP1 HOH B 312 3.088 -5.857 3.528 1.00 0.00 EP
HETATM 1699 LP2 HOH B 312 3.822 -4.983 3.463 1.00 0.00 EP
HETATM 1700 O HOH B 313 8.763 8.119 -3.235 1.00 0.00 O
HETATM 1701 H1 HOH B 313 8.628 7.286 -2.782 1.00 0.00 H
HETATM 1702 H2 HOH B 313 9.196 7.879 -4.054 1.00 0.00 H
HETATM 1703 LP1 HOH B 313 9.170 8.544 -2.855 1.00 0.00 EP
HETATM 1704 LP2 HOH B 313 8.151 8.434 -3.361 1.00 0.00 EP
HETATM 1705 O HOH B 314 5.829 8.761 -0.651 1.00 0.00 O
HETATM 1706 H1 HOH B 314 5.598 7.920 -1.046 1.00 0.00 H
HETATM 1707 H2 HOH B 314 5.482 9.414 -1.258 1.00 0.00 H
HETATM 1708 LP1 HOH B 314 6.523 8.824 -0.590 1.00 0.00 EP
HETATM 1709 LP2 HOH B 314 5.532 8.827 -0.020 1.00 0.00 EP
HETATM 1710 O HOH B 315 -10.228 -11.120 -4.980 1.00 0.00 O
HETATM 1711 H1 HOH B 315 -10.790 -11.892 -5.041 1.00 0.00 H
HETATM 1712 H2 HOH B 315 -9.649 -11.303 -4.240 1.00 0.00 H
HETATM 1713 LP1 HOH B 315 -10.609 -10.546 -4.860 1.00 0.00 EP
HETATM 1714 LP2 HOH B 315 -9.859 -11.036 -5.569 1.00 0.00 EP
HETATM 1715 O HOH B 316 3.640 -10.980 -9.123 1.00 0.00 O
HETATM 1716 H1 HOH B 316 3.913 -11.198 -8.232 1.00 0.00 H
HETATM 1717 H2 HOH B 316 3.607 -11.822 -9.577 1.00 0.00 H
HETATM 1718 LP1 HOH B 316 4.105 -10.553 -9.426 1.00 0.00 EP
HETATM 1719 LP2 HOH B 316 3.010 -10.675 -9.121 1.00 0.00 EP
HETATM 1720 O HOH B 317 8.875 8.116 -9.498 1.00 0.00 O
HETATM 1721 H1 HOH B 317 9.806 8.306 -9.386 1.00 0.00 H
HETATM 1722 H2 HOH B 317 8.480 8.346 -8.657 1.00 0.00 H
HETATM 1723 LP1 HOH B 317 8.776 7.437 -9.639 1.00 0.00 EP
HETATM 1724 LP2 HOH B 317 8.603 8.503 -10.013 1.00 0.00 EP
HETATM 1725 O HOH B 318 -11.368 10.527 -4.615 1.00 0.00 O
HETATM 1726 H1 HOH B 318 -11.661 10.010 -5.365 1.00 0.00 H
HETATM 1727 H2 HOH B 318 -12.139 10.592 -4.052 1.00 0.00 H
HETATM 1728 LP1 HOH B 318 -11.157 11.162 -4.819 1.00 0.00 EP
HETATM 1729 LP2 HOH B 318 -10.845 10.203 -4.281 1.00 0.00 EP
HETATM 1730 O HOH B 319 5.782 7.153 -8.766 1.00 0.00 O
HETATM 1731 H1 HOH B 319 4.979 6.850 -9.190 1.00 0.00 H
HETATM 1732 H2 HOH B 319 5.856 8.072 -9.019 1.00 0.00 H
HETATM 1733 LP1 HOH B 319 6.334 6.788 -8.993 1.00 0.00 EP
HETATM 1734 LP2 HOH B 319 5.732 7.091 -8.070 1.00 0.00 EP
HETATM 1735 O HOH B 320 6.173 10.085 7.013 1.00 0.00 O
HETATM 1736 H1 HOH B 320 5.982 9.548 7.782 1.00 0.00 H
HETATM 1737 H2 HOH B 320 5.360 10.079 6.508 1.00 0.00 H
HETATM 1738 LP1 HOH B 320 6.697 9.806 6.641 1.00 0.00 EP
HETATM 1739 LP2 HOH B 320 6.343 10.737 7.202 1.00 0.00 EP
HETATM 1740 O HOH B 321 7.501 -8.299 8.363 1.00 0.00 O
HETATM 1741 H1 HOH B 321 7.598 -8.449 7.423 1.00 0.00 H
HETATM 1742 H2 HOH B 321 6.750 -8.837 8.615 1.00 0.00 H
HETATM 1743 LP1 HOH B 321 7.376 -7.623 8.494 1.00 0.00 EP
HETATM 1744 LP2 HOH B 321 8.076 -8.501 8.706 1.00 0.00 EP
HETATM 1745 O HOH B 322 -9.183 7.197 -10.649 1.00 0.00 O
HETATM 1746 H1 HOH B 322 -9.430 8.041 -10.271 1.00 0.00 H
HETATM 1747 H2 HOH B 322 -9.173 7.351 -11.594 1.00 0.00 H
HETATM 1748 LP1 HOH B 322 -9.653 6.705 -10.484 1.00 0.00 EP
HETATM 1749 LP2 HOH B 322 -8.550 7.000 -10.424 1.00 0.00 EP
HETATM 1750 O HOH B 323 6.194 -9.845 11.670 1.00 0.00 O
HETATM 1751 H1 HOH B 323 5.740 -9.705 10.839 1.00 0.00 H
HETATM 1752 H2 HOH B 323 7.117 -9.687 11.468 1.00 0.00 H
HETATM 1753 LP1 HOH B 323 6.100 -10.501 11.895 1.00 0.00 EP
HETATM 1754 LP2 HOH B 323 5.967 -9.396 12.156 1.00 0.00 EP
HETATM 1755 O HOH B 324 9.566 7.596 -5.685 1.00 0.00 O
HETATM 1756 H1 HOH B 324 9.518 6.691 -5.991 1.00 0.00 H
HETATM 1757 H2 HOH B 324 8.889 8.054 -6.184 1.00 0.00 H
HETATM 1758 LP1 HOH B 324 10.197 7.869 -5.817 1.00 0.00 EP
HETATM 1759 LP2 HOH B 324 9.435 7.633 -4.998 1.00 0.00 EP
HETATM 1760 O HOH B 325 8.036 9.453 5.290 1.00 0.00 O
HETATM 1761 H1 HOH B 325 7.384 9.523 5.987 1.00 0.00 H
HETATM 1762 H2 HOH B 325 8.720 10.074 5.537 1.00 0.00 H
HETATM 1763 LP1 HOH B 325 7.756 9.626 4.672 1.00 0.00 EP
HETATM 1764 LP2 HOH B 325 8.293 8.803 5.255 1.00 0.00 EP
HETATM 1765 O HOH B 326 8.316 -10.500 -7.906 1.00 0.00 O
HETATM 1766 H1 HOH B 326 7.761 -9.721 -7.945 1.00 0.00 H
HETATM 1767 H2 HOH B 326 8.892 -10.346 -7.156 1.00 0.00 H
HETATM 1768 LP1 HOH B 326 8.689 -10.568 -8.494 1.00 0.00 EP
HETATM 1769 LP2 HOH B 326 7.929 -11.075 -7.806 1.00 0.00 EP
HETATM 1770 O HOH B 327 -8.154 -9.039 7.371 1.00 0.00 O
HETATM 1771 H1 HOH B 327 -7.898 -9.343 8.242 1.00 0.00 H
HETATM 1772 H2 HOH B 327 -8.973 -8.563 7.515 1.00 0.00 H
HETATM 1773 LP1 HOH B 327 -8.256 -9.581 6.940 1.00 0.00 EP
HETATM 1774 LP2 HOH B 327 -7.666 -8.615 7.103 1.00 0.00 EP
HETATM 1775 O HOH B 328 -10.252 -5.795 -9.481 1.00 0.00 O
HETATM 1776 H1 HOH B 328 -10.218 -5.008 -10.025 1.00 0.00 H
HETATM 1777 H2 HOH B 328 -9.398 -5.824 -9.048 1.00 0.00 H
HETATM 1778 LP1 HOH B 328 -10.348 -6.365 -9.876 1.00 0.00 EP
HETATM 1779 LP2 HOH B 328 -10.767 -5.748 -9.010 1.00 0.00 EP
TER 1780 HOH B 328
HETATM 1781 Na NA C 1 1.968 9.986 -1.390 1.00 0.00 Na
HETATM 1782 Na NA C 2 -5.965 -7.867 2.917 1.00 0.00 Na
HETATM 1783 Na NA C 3 -7.977 -8.998 0.259 1.00 0.00 Na
HETATM 1784 Na NA C 4 -4.898 8.187 9.077 1.00 0.00 Na
HETATM 1785 Na NA C 5 -6.503 -7.754 6.490 1.00 0.00 Na
HETATM 1786 Na NA C 6 3.617 -3.455 -4.677 1.00 0.00 Na
HETATM 1787 Na NA C 7 9.065 -2.767 3.619 1.00 0.00 Na
HETATM 1788 Na NA C 8 -8.524 -8.403 -7.725 1.00 0.00 Na
HETATM 1789 Cl CL C 9 1.679 1.733 8.540 1.00 0.00 Cl
HETATM 1790 Cl CL C 10 -4.027 4.212 9.047 1.00 0.00 Cl
HETATM 1791 Cl CL C 11 2.743 -7.604 8.563 1.00 0.00 Cl
HETATM 1792 Cl CL C 12 3.455 3.453 -9.133 1.00 0.00 Cl
HETATM 1793 Cl CL C 13 6.638 -5.663 -1.890 1.00 0.00 Cl
HETATM 1794 Cl CL C 14 -6.207 -10.120 -3.654 1.00 0.00 Cl
TER 1795 CL C 14
END
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