From b3f230a9924a3dd0aded7d5ed2feaf59766b500c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Iv=C3=A1n=20Pulido?= <2949729+ijpulidos@users.noreply.github.com> Date: Mon, 19 Aug 2024 13:04:08 -0400 Subject: [PATCH] Add protein-ligand complex testing (#61) * reuse hybrid topology atom list. Optimization * Short protein-ligand complex test implemented. Marked as slow. --- feflow/tests/conftest.py | 52 +- feflow/tests/data/tyk2_lig_ejm_46.sdf | 206 + feflow/tests/data/tyk2_lig_ejm_54.sdf | 207 + feflow/tests/data/tyk2_protein.pdb | 4997 +++++++++++++++++++ feflow/tests/test_nonequilibrium_cycling.py | 36 +- feflow/utils/hybrid_topology.py | 9 +- 6 files changed, 5501 insertions(+), 6 deletions(-) create mode 100644 feflow/tests/data/tyk2_lig_ejm_46.sdf create mode 100644 feflow/tests/data/tyk2_lig_ejm_54.sdf create mode 100644 feflow/tests/data/tyk2_protein.pdb diff --git a/feflow/tests/conftest.py b/feflow/tests/conftest.py index 167c4d3..221eaea 100644 --- a/feflow/tests/conftest.py +++ b/feflow/tests/conftest.py @@ -50,7 +50,7 @@ def benzene_modifications(gufe_data_dir): # Components fixtures -@pytest.fixture +@pytest.fixture(scope="session") def solvent_comp(): yield gufe.SolventComponent(positive_ion="Na", negative_ion="Cl") @@ -65,6 +65,24 @@ def toluene(benzene_modifications): return gufe.SmallMoleculeComponent(benzene_modifications["toluene"]) +@pytest.fixture(scope="session") +def tyk2_protein(): + filepath = files("feflow.tests.data").joinpath("tyk2_protein.pdb") + return gufe.ProteinComponent.from_pdb_file(str(filepath)) + + +@pytest.fixture(scope="session") +def tyk2_ligand_ejm_54(): + filepath = files("feflow.tests.data").joinpath("tyk2_lig_ejm_54.sdf") + return gufe.SmallMoleculeComponent.from_sdf_file(str(filepath)) + + +@pytest.fixture(scope="session") +def tyk2_ligand_ejm_46(): + filepath = files("feflow.tests.data").joinpath("tyk2_lig_ejm_46.sdf") + return gufe.SmallMoleculeComponent.from_sdf_file(str(filepath)) + + # Systems fixtures @@ -88,6 +106,20 @@ def toluene_solvent_system(toluene, solvent_comp): return gufe.ChemicalSystem({"ligand": toluene, "solvent": solvent_comp}) +@pytest.fixture +def tyk2_lig_ejm_46_complex(tyk2_protein, tyk2_ligand_ejm_46, solvent_comp): + return gufe.ChemicalSystem( + {"protein": tyk2_protein, "ligand": tyk2_ligand_ejm_46, "solvent": solvent_comp} + ) + + +@pytest.fixture +def tyk2_lig_ejm_54_complex(tyk2_protein, tyk2_ligand_ejm_54, solvent_comp): + return gufe.ChemicalSystem( + {"protein": tyk2_protein, "ligand": tyk2_ligand_ejm_54, "solvent": solvent_comp} + ) + + # Settings fixtures @@ -103,6 +135,7 @@ def short_settings(): settings.integrator_settings.nonequilibrium_steps = 250 settings.work_save_frequency = 50 settings.traj_save_frequency = 250 + settings.num_cycles = 1 return settings @@ -218,3 +251,20 @@ def broken_mapping(benzene, toluene): componentA_to_componentB=broken_mapping, ) return broken_mapping_obj + + +@pytest.fixture +def mapping_tyk2_54_to_46(tyk2_ligand_ejm_54, tyk2_ligand_ejm_46): + """ + Mapping object from ligand ejm_54 to ejm_46 for the Tyk2 dataset. + + It generates the mapping on runtime using the Kartograf mapper. + """ + from kartograf import KartografAtomMapper + + atom_mapper = KartografAtomMapper() + mapping_obj = next( + atom_mapper.suggest_mappings(tyk2_ligand_ejm_54, tyk2_ligand_ejm_46) + ) + + return mapping_obj diff --git a/feflow/tests/data/tyk2_lig_ejm_46.sdf b/feflow/tests/data/tyk2_lig_ejm_46.sdf new file mode 100644 index 0000000..365ccf5 --- /dev/null +++ b/feflow/tests/data/tyk2_lig_ejm_46.sdf @@ -0,0 +1,206 @@ +lig_ejm_46 + 3D + Schrodinger Suite 2022-3. + 36 38 0 0 1 0 999 V2000 + -4.7641 -2.8360 -16.5091 H 0 0 0 0 0 0 + -5.3551 -3.6988 -16.2343 C 0 0 0 0 0 0 + -4.7691 -4.9763 -16.2133 C 0 0 0 0 0 0 + -5.5322 -6.1012 -15.8489 C 0 0 0 0 0 0 + -6.8971 -5.9556 -15.4808 C 0 0 0 0 0 0 + -7.4860 -4.6658 -15.5235 C 0 0 0 0 0 0 + -6.7149 -3.5494 -15.9013 C 0 0 0 0 0 0 + -7.1642 -2.5677 -15.9366 H 0 0 0 0 0 0 + -9.1609 -4.4168 -15.1573 Cl 0 0 0 0 0 0 + -7.7099 -7.1391 -15.0412 C 0 0 0 0 0 0 + -8.1270 -7.2082 -13.8848 O 0 0 0 0 0 0 + -7.9085 -8.0557 -16.0048 N 0 0 0 0 0 0 + -7.4364 -7.8700 -16.8774 H 0 0 0 0 0 0 + -8.7302 -9.2129 -16.0071 C 0 0 0 0 0 0 + -9.5845 -9.6010 -14.9550 C 0 0 0 0 0 0 + -10.3859 -10.7400 -15.1393 C 0 0 0 0 0 0 + -10.3615 -11.5002 -16.2562 N 0 0 0 0 0 0 + -9.5413 -11.1483 -17.2750 C 0 0 0 0 0 0 + -8.7209 -9.9970 -17.1753 C 0 0 0 0 0 0 + -8.0953 -9.6795 -17.9932 H 0 0 0 0 0 0 + -9.5567 -11.9338 -18.4642 N 0 0 0 0 0 0 + -10.3627 -12.5404 -18.5590 H 0 0 0 0 0 0 + -8.6358 -12.0325 -19.4477 C 0 0 0 0 0 0 + -7.5743 -11.4049 -19.4949 O 0 0 0 0 0 0 + -9.0140 -13.0112 -20.5101 C 0 0 0 0 0 0 + -8.6036 -12.7155 -21.9369 C 0 0 0 0 0 0 + -7.9023 -13.8059 -21.1663 C 0 0 0 0 0 0 + -8.1243 -14.8374 -21.4290 H 0 0 0 0 0 0 + -6.8721 -13.6163 -20.8685 H 0 0 0 0 0 0 + -8.0346 -11.8121 -22.1455 H 0 0 0 0 0 0 + -9.3177 -12.9952 -22.7091 H 0 0 0 0 0 0 + -9.9630 -13.5266 -20.3808 H 0 0 0 0 0 0 + -11.0715 -11.0494 -14.3644 H 0 0 0 0 0 0 + -9.6709 -9.0420 -14.0358 H 0 0 0 0 0 0 + -4.7565 -7.6418 -15.8644 Cl 0 0 0 0 0 0 + -3.7260 -5.0905 -16.4764 H 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 7 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 3 36 1 0 0 0 + 4 5 2 0 0 0 + 4 35 1 0 0 0 + 5 6 1 0 0 0 + 5 10 1 0 0 0 + 6 7 2 0 0 0 + 6 9 1 0 0 0 + 7 8 1 0 0 0 + 10 11 2 0 0 0 + 10 12 1 0 0 0 + 12 13 1 0 0 0 + 12 14 1 0 0 0 + 14 19 1 0 0 0 + 14 15 2 0 0 0 + 15 16 1 0 0 0 + 15 34 1 0 0 0 + 16 17 2 0 0 0 + 16 33 1 0 0 0 + 17 18 1 0 0 0 + 18 19 2 0 0 0 + 18 21 1 0 0 0 + 19 20 1 0 0 0 + 21 22 1 0 0 0 + 21 23 1 0 0 0 + 23 24 2 0 0 0 + 23 25 1 0 0 0 + 25 27 1 0 0 0 + 25 26 1 0 0 0 + 25 32 1 0 0 0 + 26 27 1 0 0 0 + 26 30 1 0 0 0 + 26 31 1 0 0 0 + 27 28 1 0 0 0 + 27 29 1 0 0 0 +M END +> +ligprep_tyk2.smi + +> +6 + +> +53161 + +> +0 + +> +Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW0NIXTNbQ0gyXVtDSDJdMw== + +> +J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic= + +> +1 + +> + 0.0034 + +> + 0.0000 + +> + 0.0034 + +> + -0.0000 + +> +0 + +> +0 + +> +0 + +> +S-OPLS + +> +49.5212 + +> +1 + +> +lig_ejm_46-1 + +> +glide-grid_TYK2-4GIH + +> +6 + +> +6 + +> +-9.61568735798166 + +> +-0.418073363390507 + +> +-1.1889450320591 + +> +-2.32516039339236 + +> +-9.61568735798166 + +> +-3.62915830081149 + +> +-0.57340247290156 + +> +-0 + +> +-2.28077531878579 + +> +-50.9746627807617 + +> +-8.24195003509521 + +> +0.65267437881954 + +> +0 + +> +-102.027343960114 + +> +-59.2166128158569 + +> +6.72696387482574e-07 + +> +1 + +> +2 + +> +-0 + +> +0.0499811632888399 + +> +snapped_core_restrain + +$$$$ diff --git a/feflow/tests/data/tyk2_lig_ejm_54.sdf b/feflow/tests/data/tyk2_lig_ejm_54.sdf new file mode 100644 index 0000000..3ca3168 --- /dev/null +++ b/feflow/tests/data/tyk2_lig_ejm_54.sdf @@ -0,0 +1,207 @@ +lig_ejm_54 + 3D + Schrodinger Suite 2022-3. + 37 38 0 0 1 0 999 V2000 + -4.7602 -2.7967 -16.4775 H 0 0 0 0 0 0 + -5.3578 -3.6575 -16.2147 C 0 0 0 0 0 0 + -6.7173 -3.5185 -15.8797 C 0 0 0 0 0 0 + -7.4848 -4.6454 -15.5162 C 0 0 0 0 0 0 + -6.8879 -5.9328 -15.4883 C 0 0 0 0 0 0 + -5.5234 -6.0640 -15.8525 C 0 0 0 0 0 0 + -4.7659 -4.9308 -16.2070 C 0 0 0 0 0 0 + -3.7225 -5.0393 -16.4690 H 0 0 0 0 0 0 + -4.7348 -7.5990 -15.8694 Cl 0 0 0 0 0 0 + -7.6913 -7.1293 -15.0548 C 0 0 0 0 0 0 + -8.1104 -7.2012 -13.9013 O 0 0 0 0 0 0 + -7.8794 -8.0487 -16.0173 N 0 0 0 0 0 0 + -7.3978 -7.8691 -16.8840 H 0 0 0 0 0 0 + -8.7120 -9.1989 -16.0189 C 0 0 0 0 0 0 + -9.5627 -9.5847 -14.9619 C 0 0 0 0 0 0 + -10.3712 -10.7186 -15.1360 C 0 0 0 0 0 0 + -10.3584 -11.4774 -16.2525 N 0 0 0 0 0 0 + -9.5337 -11.1357 -17.2710 C 0 0 0 0 0 0 + -8.7164 -9.9833 -17.1862 C 0 0 0 0 0 0 + -8.0973 -9.6795 -18.0140 H 0 0 0 0 0 0 + -9.5727 -11.9161 -18.4574 N 0 0 0 0 0 0 + -10.4238 -12.4536 -18.5581 H 0 0 0 0 0 0 + -8.6553 -12.0654 -19.4295 C 0 0 0 0 0 0 + -7.5631 -11.4966 -19.4761 O 0 0 0 0 0 0 + -9.0712 -12.9354 -20.3605 N 0 0 0 0 0 0 + -9.9907 -13.3459 -20.2634 H 0 0 0 0 0 0 + -8.2828 -13.3939 -21.4965 C 0 0 0 0 0 0 + -7.2137 -13.3284 -21.2864 H 0 0 0 0 0 0 + -8.5112 -14.4496 -21.6490 H 0 0 0 0 0 0 + -8.6211 -12.6043 -22.7645 C 0 0 0 0 0 0 + -8.0472 -12.9750 -23.6115 H 0 0 0 0 0 0 + -9.6763 -12.6979 -23.0198 H 0 0 0 0 0 0 + -8.3867 -11.5457 -22.6485 H 0 0 0 0 0 0 + -11.0527 -11.0293 -14.3556 H 0 0 0 0 0 0 + -9.6403 -9.0308 -14.0397 H 0 0 0 0 0 0 + -9.1623 -4.4118 -15.1498 Cl 0 0 0 0 0 0 + -7.1791 -2.5435 -15.9095 H 0 0 0 0 0 0 + 1 2 1 0 0 0 + 2 7 1 0 0 0 + 2 3 2 0 0 0 + 3 4 1 0 0 0 + 3 37 1 0 0 0 + 4 5 2 0 0 0 + 4 36 1 0 0 0 + 5 6 1 0 0 0 + 5 10 1 0 0 0 + 6 7 2 0 0 0 + 6 9 1 0 0 0 + 7 8 1 0 0 0 + 10 11 2 0 0 0 + 10 12 1 0 0 0 + 12 13 1 0 0 0 + 12 14 1 0 0 0 + 14 19 1 0 0 0 + 14 15 2 0 0 0 + 15 16 1 0 0 0 + 15 35 1 0 0 0 + 16 17 2 0 0 0 + 16 34 1 0 0 0 + 17 18 1 0 0 0 + 18 19 2 0 0 0 + 18 21 1 0 0 0 + 19 20 1 0 0 0 + 21 22 1 0 0 0 + 21 23 1 0 0 0 + 23 24 2 0 0 0 + 23 25 1 0 0 0 + 25 26 1 0 0 0 + 25 27 1 0 0 0 + 27 28 1 0 0 0 + 27 29 1 0 0 0 + 27 30 1 0 0 0 + 30 31 1 0 0 0 + 30 32 1 0 0 0 + 30 33 1 0 0 0 +M END +> +ligprep_tyk2.smi + +> +11 + +> +53161 + +> +0 + +> +Q2xjMVtjSF1bY0hdW2NIXWMoQ2wpYzFDKD1PKVtOSF1jMltjSF1bY0hdbmMoW2NIXTIpW05IXUMoPU8pW05IXVtDSDJdW0NIM10= + +> +J2VwaWtfcHl0aG9uJywgJy1waHQnLCAnMC4wJywgJy1waCcsICc3LjQnLCAnLXRuJywgJzgnLCAnLW1hJywgJzUwMCcsICctaW1hZScsICc8aW5maWxlLm1hZT4nLCAnLW9tYWUnLCAnPG91dGZpbGUubWFlPic= + +> +1 + +> + 0.0025 + +> + 0.0000 + +> + 0.0025 + +> + -0.0000 + +> +0 + +> +0 + +> +0 + +> +S-OPLS + +> +32.0222 + +> +1 + +> +lig_ejm_54-1 + +> +glide-grid_TYK2-4GIH + +> +11 + +> +7 + +> +-9.7861918078574 + +> +-0.425486600341626 + +> +-1.21002729181617 + +> +-2.36638991542119 + +> +-9.7861918078574 + +> +-3.51550880171102 + +> +-0.567459858271365 + +> +-0 + +> +-2.41531558627739 + +> +-50.5618667602539 + +> +-9.35098934173584 + +> +0.642834177675453 + +> +0 + +> +-92.9900782626753 + +> +-59.9128561019897 + +> +0.882002353668213 + +> +3 + +> +2 + +> +-0 + +> +0.0711874194366535 + +> +snapped_core_restrain + +$$$$ diff --git a/feflow/tests/data/tyk2_protein.pdb b/feflow/tests/data/tyk2_protein.pdb new file mode 100644 index 0000000..5be04e2 --- /dev/null +++ b/feflow/tests/data/tyk2_protein.pdb @@ -0,0 +1,4997 @@ +HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-AUG-12 4GIH +TITLE TYK2 (JH1) IN COMPLEX WITH +TITLE 2 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL) +TITLE 3 AMINO]PYRIDIN-4-YL}BENZAMIDE +EXPDTA X-RAY DIFFRACTION +REMARK 2 RESOLUTION. 2.00 ANGSTROMS +REMARK 3 R VALUE : 0.188000 +REMARK 3 FREE R VALUE : 0.217000 +REMARK 4 4GIH COMPLIES WITH FORMAT V. 3.30, +REMARK 200 TEMPERATURE (KELVIN) : 173.00 +REMARK 200 PH : 6.50 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 +REMARK 888 +REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) +SEQRES 1 A 290 ACE THR VAL PHE HIS LYS ARG TYR LEU LYS LYS ILE ARG +SEQRES 2 A 290 ASP LEU GLY GLU GLY HIS PHE GLY LYS VAL SER LEU TYR +SEQRES 3 A 290 CYS TYR ASP PRO THR ASN ASP GLY THR GLY GLU MET VAL +SEQRES 4 A 290 ALA VAL LYS ALA LEU LYS ALA ASP ALA GLY PRO GLN HIS +SEQRES 5 A 290 ARG SER GLY TRP LYS GLN GLU ILE ASP ILE LEU ARG THR +SEQRES 6 A 290 LEU TYR HIS GLU HIS ILE ILE LYS TYR LYS GLY CYS CYS +SEQRES 7 A 290 GLU ASP ALA GLY ALA ALA SER LEU GLN LEU VAL MET GLU +SEQRES 8 A 290 TYR VAL PRO LEU GLY SER LEU ARG ASP TYR LEU PRO ARG +SEQRES 9 A 290 HIS SER ILE GLY LEU ALA GLN LEU LEU LEU PHE ALA GLN +SEQRES 10 A 290 GLN ILE CYS GLU GLY MET ALA TYR LEU HIS ALA GLN HIS +SEQRES 11 A 290 TYR ILE HIS ARG ASN LEU ALA ALA ARG ASN VAL LEU LEU +SEQRES 12 A 290 ASP ASN ASP ARG LEU VAL LYS ILE GLY ASP PHE GLY LEU +SEQRES 13 A 290 ALA LYS ALA VAL PRO GLU GLY HIS GLU TYR TYR ARG VAL +SEQRES 14 A 290 ARG GLU ASP GLY ASP SER PRO VAL PHE TRP TYR ALA PRO +SEQRES 15 A 290 GLU CYS LEU LYS GLU TYR LYS PHE TYR TYR ALA SER ASP +SEQRES 16 A 290 VAL TRP SER PHE GLY VAL THR LEU TYR GLU LEU LEU THR +SEQRES 17 A 290 HIS CYS ASP SER SER GLN SER PRO PRO THR LYS PHE LEU +SEQRES 18 A 290 GLU LEU ILE GLY ILE ALA GLN GLY GLN MET THR VAL LEU +SEQRES 19 A 290 ARG LEU THR GLU LEU LEU GLU ARG GLY GLU ARG LEU PRO +SEQRES 20 A 290 ARG PRO ASP LYS CYS PRO ALA GLU VAL TYR HIS LEU MET +SEQRES 21 A 290 LYS ASN CYS TRP GLU THR GLU ALA SER PHE ARG PRO THR +SEQRES 22 A 290 PHE GLU ASN LEU ILE PRO ILE LEU LYS THR VAL HIS GLU +SEQRES 23 A 290 LYS TYR ARG NME +FORMUL 2 HOH *2(H2 0) +HELIX 1 1 HIS A 940 HIS A 940 1 +HELIX 2 2 ARG A 941 ARG A 941 1 +HELIX 3 3 SER A 942 SER A 942 1 +HELIX 4 4 GLY A 943 GLY A 943 1 +HELIX 5 5 TRP A 944 TRP A 944 1 +HELIX 6 6 LYS A 945 LYS A 945 1 +HELIX 7 7 GLN A 946 GLN A 946 1 +HELIX 8 8 GLU A 947 GLU A 947 1 +HELIX 9 9 ILE A 948 ILE A 948 1 +HELIX 10 10 ASP A 949 ASP A 949 1 +HELIX 11 11 ILE A 950 ILE A 950 1 +HELIX 12 12 LEU A 951 LEU A 951 1 +HELIX 13 13 ARG A 952 ARG A 952 1 +HELIX 14 14 THR A 953 THR A 953 1 +HELIX 15 15 LEU A 986 LEU A 986 1 +HELIX 16 16 ARG A 987 ARG A 987 1 +HELIX 17 17 ASP A 988 ASP A 988 1 +HELIX 18 18 TYR A 989 TYR A 989 1 +HELIX 19 19 LEU A 997 LEU A 997 1 +HELIX 20 20 ALA A 998 ALA A 998 1 +HELIX 21 21 GLN A 999 GLN A 999 1 +HELIX 22 22 LEU A 1000 LEU A 1000 1 +HELIX 23 23 LEU A 1001 LEU A 1001 1 +HELIX 24 24 LEU A 1002 LEU A 1002 1 +HELIX 25 25 PHE A 1003 PHE A 1003 1 +HELIX 26 26 ALA A 1004 ALA A 1004 1 +HELIX 27 27 GLN A 1005 GLN A 1005 1 +HELIX 28 28 GLN A 1006 GLN A 1006 1 +HELIX 29 29 ILE A 1007 ILE A 1007 1 +HELIX 30 30 CYS A 1008 CYS A 1008 1 +HELIX 31 31 GLU A 1009 GLU A 1009 1 +HELIX 32 32 GLY A 1010 GLY A 1010 1 +HELIX 33 33 MET A 1011 MET A 1011 1 +HELIX 34 34 ALA A 1012 ALA A 1012 1 +HELIX 35 35 TYR A 1013 TYR A 1013 1 +HELIX 36 36 LEU A 1014 LEU A 1014 1 +HELIX 37 37 HIS A 1015 HIS A 1015 1 +HELIX 38 38 ALA A 1016 ALA A 1016 1 +HELIX 39 39 TYR A 1080 TYR A 1080 1 +HELIX 40 40 ALA A 1081 ALA A 1081 1 +HELIX 41 41 SER A 1082 SER A 1082 1 +HELIX 42 42 ASP A 1083 ASP A 1083 1 +HELIX 43 43 VAL A 1084 VAL A 1084 1 +HELIX 44 44 TRP A 1085 TRP A 1085 1 +HELIX 45 45 SER A 1086 SER A 1086 1 +HELIX 46 46 PHE A 1087 PHE A 1087 1 +HELIX 47 47 GLY A 1088 GLY A 1088 1 +HELIX 48 48 VAL A 1089 VAL A 1089 1 +HELIX 49 49 THR A 1090 THR A 1090 1 +HELIX 50 50 LEU A 1091 LEU A 1091 1 +HELIX 51 51 TYR A 1092 TYR A 1092 1 +HELIX 52 52 GLU A 1093 GLU A 1093 1 +HELIX 53 53 LEU A 1094 LEU A 1094 1 +HELIX 54 54 LEU A 1095 LEU A 1095 1 +HELIX 55 55 LYS A 1107 LYS A 1107 1 +HELIX 56 56 PHE A 1108 PHE A 1108 1 +HELIX 57 57 LEU A 1109 LEU A 1109 1 +HELIX 58 58 GLU A 1110 GLU A 1110 1 +HELIX 59 59 LEU A 1111 LEU A 1111 1 +HELIX 60 60 ILE A 1112 ILE A 1112 1 +HELIX 61 61 THR A 1120 THR A 1120 1 +HELIX 62 62 VAL A 1121 VAL A 1121 1 +HELIX 63 63 LEU A 1122 LEU A 1122 1 +HELIX 64 64 ARG A 1123 ARG A 1123 1 +HELIX 65 65 LEU A 1124 LEU A 1124 1 +HELIX 66 66 THR A 1125 THR A 1125 1 +HELIX 67 67 GLU A 1126 GLU A 1126 1 +HELIX 68 68 LEU A 1127 LEU A 1127 1 +HELIX 69 69 LEU A 1128 LEU A 1128 1 +HELIX 70 70 GLU A 1129 GLU A 1129 1 +HELIX 71 71 GLU A 1143 GLU A 1143 1 +HELIX 72 72 VAL A 1144 VAL A 1144 1 +HELIX 73 73 TYR A 1145 TYR A 1145 1 +HELIX 74 74 HIS A 1146 HIS A 1146 1 +HELIX 75 75 LEU A 1147 LEU A 1147 1 +HELIX 76 76 MET A 1148 MET A 1148 1 +HELIX 77 77 LYS A 1149 LYS A 1149 1 +HELIX 78 78 ASN A 1150 ASN A 1150 1 +HELIX 79 79 CYS A 1151 CYS A 1151 1 +HELIX 80 80 PHE A 1162 PHE A 1162 1 +HELIX 81 81 GLU A 1163 GLU A 1163 1 +HELIX 82 82 ASN A 1164 ASN A 1164 1 +HELIX 83 83 LEU A 1165 LEU A 1165 1 +HELIX 84 84 ILE A 1166 ILE A 1166 1 +HELIX 85 85 PRO A 1167 PRO A 1167 1 +HELIX 86 86 ILE A 1168 ILE A 1168 1 +HELIX 87 87 LEU A 1169 LEU A 1169 1 +HELIX 88 88 LYS A 1170 LYS A 1170 1 +HELIX 89 89 THR A 1171 THR A 1171 1 +HELIX 90 90 VAL A 1172 VAL A 1172 1 +HELIX 91 91 HIS A 1173 HIS A 1173 1 +HELIX 92 92 GLU A 1174 GLU A 1174 1 +HELIX 93 93 LYS A 1175 LYS A 1175 1 +HELIX 94 94 TYR A 1176 TYR A 1176 1 +TURN 1 1 THR A 890 THR A 890 +TURN 2 2 VAL A 891 VAL A 891 +TURN 3 3 HIS A 893 HIS A 893 +TURN 4 4 LYS A 894 LYS A 894 +TURN 5 5 ARG A 895 ARG A 895 +TURN 6 6 TYR A 896 TYR A 896 +TURN 7 7 GLY A 906 GLY A 906 +TURN 8 8 HIS A 907 HIS A 907 +TURN 9 9 PHE A 908 PHE A 908 +TURN 10 10 GLY A 909 GLY A 909 +TURN 11 11 ASP A 917 ASP A 917 +TURN 12 12 PRO A 918 PRO A 918 +TURN 13 13 THR A 919 THR A 919 +TURN 14 14 ASN A 920 ASN A 920 +TURN 15 15 ASP A 921 ASP A 921 +TURN 16 16 GLY A 922 GLY A 922 +TURN 17 17 THR A 923 THR A 923 +TURN 18 18 GLY A 924 GLY A 924 +TURN 19 19 ALA A 931 ALA A 931 +TURN 20 20 LEU A 932 LEU A 932 +TURN 21 21 LYS A 933 LYS A 933 +TURN 22 22 ALA A 934 ALA A 934 +TURN 23 23 ASP A 935 ASP A 935 +TURN 24 24 ALA A 936 ALA A 936 +TURN 25 25 GLY A 937 GLY A 937 +TURN 26 26 PRO A 938 PRO A 938 +TURN 27 27 GLN A 939 GLN A 939 +TURN 28 28 LEU A 954 LEU A 954 +TURN 29 29 TYR A 955 TYR A 955 +TURN 30 30 HIS A 956 HIS A 956 +TURN 31 31 GLU A 957 GLU A 957 +TURN 32 32 HIS A 958 HIS A 958 +TURN 33 33 ILE A 959 ILE A 959 +TURN 34 34 ILE A 960 ILE A 960 +TURN 35 35 LYS A 961 LYS A 961 +TURN 36 36 ALA A 969 ALA A 969 +TURN 37 37 GLY A 970 GLY A 970 +TURN 38 38 ALA A 971 ALA A 971 +TURN 39 39 ALA A 972 ALA A 972 +TURN 40 40 TYR A 980 TYR A 980 +TURN 41 41 VAL A 981 VAL A 981 +TURN 42 42 PRO A 982 PRO A 982 +TURN 43 43 LEU A 983 LEU A 983 +TURN 44 44 LEU A 990 LEU A 990 +TURN 45 45 PRO A 991 PRO A 991 +TURN 46 46 ARG A 992 ARG A 992 +TURN 47 47 HIS A 993 HIS A 993 +TURN 48 48 SER A 994 SER A 994 +TURN 49 49 ILE A 995 ILE A 995 +TURN 50 50 GLY A 996 GLY A 996 +TURN 51 51 GLN A1017 GLN A1017 +TURN 52 52 HIS A1018 HIS A1018 +TURN 53 53 HIS A1021 HIS A1021 +TURN 54 54 ARG A1022 ARG A1022 +TURN 55 55 ASN A1023 ASN A1023 +TURN 56 56 LEU A1024 LEU A1024 +TURN 57 57 ALA A1025 ALA A1025 +TURN 58 58 ALA A1026 ALA A1026 +TURN 59 59 ARG A1027 ARG A1027 +TURN 60 60 ASN A1028 ASN A1028 +TURN 61 61 ASP A1034 ASP A1034 +TURN 62 62 ARG A1035 ARG A1035 +TURN 63 63 GLY A1040 GLY A1040 +TURN 64 64 ASP A1041 ASP A1041 +TURN 65 65 PHE A1042 PHE A1042 +TURN 66 66 GLY A1043 GLY A1043 +TURN 67 67 LEU A1044 LEU A1044 +TURN 68 68 ALA A1045 ALA A1045 +TURN 69 69 VAL A1048 VAL A1048 +TURN 70 70 PRO A1049 PRO A1049 +TURN 71 71 GLU A1050 GLU A1050 +TURN 72 72 GLY A1051 GLY A1051 +TURN 73 73 HIS A1052 HIS A1052 +TURN 74 74 GLU A1053 GLU A1053 +TURN 75 75 VAL A1057 VAL A1057 +TURN 76 76 ARG A1058 ARG A1058 +TURN 77 77 GLU A1059 GLU A1059 +TURN 78 78 ASP A1060 ASP A1060 +TURN 79 79 GLY A1061 GLY A1061 +TURN 80 80 ASP A1062 ASP A1062 +TURN 81 81 SER A1063 SER A1063 +TURN 82 82 PRO A1064 PRO A1064 +TURN 83 83 VAL A1065 VAL A1065 +TURN 84 84 PHE A1066 PHE A1066 +TURN 85 85 TRP A1067 TRP A1067 +TURN 86 86 TYR A1068 TYR A1068 +TURN 87 87 ALA A1069 ALA A1069 +TURN 88 88 PRO A1070 PRO A1070 +TURN 89 89 GLU A1071 GLU A1071 +TURN 90 90 CYS A1072 CYS A1072 +TURN 91 91 LEU A1073 LEU A1073 +TURN 92 92 LYS A1074 LYS A1074 +TURN 93 93 GLU A1075 GLU A1075 +TURN 94 94 TYR A1076 TYR A1076 +TURN 95 95 THR A1096 THR A1096 +TURN 96 96 HIS A1097 HIS A1097 +TURN 97 97 CYS A1098 CYS A1098 +TURN 98 98 ASP A1099 ASP A1099 +TURN 99 99 SER A1100 SER A1100 +TURN 100 100 SER A1101 SER A1101 +TURN 101 101 GLN A1102 GLN A1102 +TURN 102 102 SER A1103 SER A1103 +TURN 103 103 PRO A1104 PRO A1104 +TURN 104 104 PRO A1105 PRO A1105 +TURN 105 105 THR A1106 THR A1106 +TURN 106 106 GLY A1113 GLY A1113 +TURN 107 107 ILE A1114 ILE A1114 +TURN 108 108 ALA A1115 ALA A1115 +TURN 109 109 GLN A1116 GLN A1116 +TURN 110 110 GLY A1117 GLY A1117 +TURN 111 111 GLN A1118 GLN A1118 +TURN 112 112 MET A1119 MET A1119 +TURN 113 113 ARG A1130 ARG A1130 +TURN 114 114 GLY A1131 GLY A1131 +TURN 115 115 GLU A1132 GLU A1132 +TURN 116 116 ARG A1133 ARG A1133 +TURN 117 117 LEU A1134 LEU A1134 +TURN 118 118 PRO A1135 PRO A1135 +TURN 119 119 ARG A1136 ARG A1136 +TURN 120 120 PRO A1137 PRO A1137 +TURN 121 121 ASP A1138 ASP A1138 +TURN 122 122 LYS A1139 LYS A1139 +TURN 123 123 CYS A1140 CYS A1140 +TURN 124 124 PRO A1141 PRO A1141 +TURN 125 125 ALA A1142 ALA A1142 +TURN 126 126 TRP A1152 TRP A1152 +TURN 127 127 GLU A1153 GLU A1153 +TURN 128 128 THR A1154 THR A1154 +TURN 129 129 GLU A1155 GLU A1155 +TURN 130 130 ALA A1156 ALA A1156 +TURN 131 131 SER A1157 SER A1157 +TURN 132 132 PHE A1158 PHE A1158 +TURN 133 133 ARG A1159 ARG A1159 +TURN 134 134 PRO A1160 PRO A1160 +TURN 135 135 THR A1161 THR A1161 +TURN 136 136 ARG A1177 ARG A1177 +SHEET 1 1 1 PHE A 892 PHE A 892 0 +SHEET 1 2 1 LEU A 897 LEU A 897 0 +SHEET 1 3 1 LYS A 898 LYS A 898 0 +SHEET 1 4 1 LYS A 899 LYS A 899 0 +SHEET 1 5 1 ILE A 900 ILE A 900 0 +SHEET 1 6 1 ARG A 901 ARG A 901 0 +SHEET 1 7 1 ASP A 902 ASP A 902 0 +SHEET 1 8 1 LEU A 903 LEU A 903 0 +SHEET 1 9 1 GLY A 904 GLY A 904 0 +SHEET 1 10 1 GLU A 905 GLU A 905 0 +SHEET 1 11 1 LYS A 910 LYS A 910 0 +SHEET 1 12 1 VAL A 911 VAL A 911 0 +SHEET 1 13 1 SER A 912 SER A 912 0 +SHEET 1 14 1 LEU A 913 LEU A 913 0 +SHEET 1 15 1 TYR A 914 TYR A 914 0 +SHEET 1 16 1 CYS A 915 CYS A 915 0 +SHEET 1 17 1 TYR A 916 TYR A 916 0 +SHEET 1 18 1 GLU A 925 GLU A 925 0 +SHEET 1 19 1 MET A 926 MET A 926 0 +SHEET 1 20 1 VAL A 927 VAL A 927 0 +SHEET 1 21 1 ALA A 928 ALA A 928 0 +SHEET 1 22 1 VAL A 929 VAL A 929 0 +SHEET 1 23 1 LYS A 930 LYS A 930 0 +SHEET 1 24 1 TYR A 962 TYR A 962 0 +SHEET 1 25 1 LYS A 963 LYS A 963 0 +SHEET 1 26 1 GLY A 964 GLY A 964 0 +SHEET 1 27 1 CYS A 965 CYS A 965 0 +SHEET 1 28 1 CYS A 966 CYS A 966 0 +SHEET 1 29 1 GLU A 967 GLU A 967 0 +SHEET 1 30 1 ASP A 968 ASP A 968 0 +SHEET 1 31 1 SER A 973 SER A 973 0 +SHEET 1 32 1 LEU A 974 LEU A 974 0 +SHEET 1 33 1 GLN A 975 GLN A 975 0 +SHEET 1 34 1 LEU A 976 LEU A 976 0 +SHEET 1 35 1 VAL A 977 VAL A 977 0 +SHEET 1 36 1 MET A 978 MET A 978 0 +SHEET 1 37 1 GLU A 979 GLU A 979 0 +SHEET 1 38 1 GLY A 984 GLY A 984 0 +SHEET 1 39 1 SER A 985 SER A 985 0 +SHEET 1 40 1 TYR A1019 TYR A1019 0 +SHEET 1 41 1 ILE A1020 ILE A1020 0 +SHEET 1 42 1 VAL A1029 VAL A1029 0 +SHEET 1 43 1 LEU A1030 LEU A1030 0 +SHEET 1 44 1 LEU A1031 LEU A1031 0 +SHEET 1 45 1 ASP A1032 ASP A1032 0 +SHEET 1 46 1 ASN A1033 ASN A1033 0 +SHEET 1 47 1 LEU A1036 LEU A1036 0 +SHEET 1 48 1 VAL A1037 VAL A1037 0 +SHEET 1 49 1 LYS A1038 LYS A1038 0 +SHEET 1 50 1 ILE A1039 ILE A1039 0 +SHEET 1 51 1 LYS A1046 LYS A1046 0 +SHEET 1 52 1 ALA A1047 ALA A1047 0 +SHEET 1 53 1 TYR A1054 TYR A1054 0 +SHEET 1 54 1 TYR A1055 TYR A1055 0 +SHEET 1 55 1 ARG A1056 ARG A1056 0 +SHEET 1 56 1 LYS A1077 LYS A1077 0 +SHEET 1 57 1 PHE A1078 PHE A1078 0 +SHEET 1 58 1 TYR A1079 TYR A1079 0 +CRYST1 36.165 74.378 105.855 90.00 90.00 90.00 P 21 21 21 4 +HETATM 1 CH3 ACE A 889 -15.732 -12.861 4.218 1.00 0.00 C +HETATM 2 C ACE A 889 -15.276 -14.194 3.635 1.00 0.00 C +HETATM 3 O ACE A 889 -14.654 -14.989 4.340 1.00 0.00 O +HETATM 4 H1 ACE A 889 -16.009 -12.980 5.266 1.00 0.00 H +HETATM 5 H2 ACE A 889 -14.926 -12.130 4.156 1.00 0.00 H +HETATM 6 H3 ACE A 889 -16.597 -12.470 3.681 1.00 0.00 H +ATOM 7 N THR A 890 -15.597 -14.428 2.352 1.00 62.43 N +ATOM 8 CA THR A 890 -15.253 -15.635 1.596 1.00 60.76 C +ATOM 9 C THR A 890 -13.728 -15.808 1.437 1.00 61.63 C +ATOM 10 O THR A 890 -13.057 -14.866 1.010 1.00 59.62 O +ATOM 11 CB THR A 890 -15.877 -15.599 0.174 1.00 68.55 C +ATOM 12 OG1 THR A 890 -17.274 -15.403 0.277 1.00 68.98 O +ATOM 13 CG2 THR A 890 -15.641 -16.864 -0.673 1.00 67.10 C +ATOM 14 H THR A 890 -16.130 -13.740 1.841 1.00 62.43 H +ATOM 15 HA THR A 890 -15.657 -16.493 2.137 1.00 60.76 H +ATOM 16 HB THR A 890 -15.485 -14.740 -0.372 1.00 68.55 H +ATOM 17 HG1 THR A 890 -17.659 -15.483 -0.599 1.00 68.98 H +ATOM 18 HG21 THR A 890 -16.174 -16.812 -1.622 1.00 67.10 H +ATOM 19 HG22 THR A 890 -14.586 -17.005 -0.908 1.00 67.10 H +ATOM 20 HG23 THR A 890 -15.985 -17.757 -0.150 1.00 67.10 H +ATOM 21 N VAL A 891 -13.227 -17.004 1.791 1.00 57.37 N +ATOM 22 CA VAL A 891 -11.803 -17.336 1.789 1.00 55.39 C +ATOM 23 C VAL A 891 -11.483 -18.438 0.759 1.00 56.21 C +ATOM 24 O VAL A 891 -12.251 -19.388 0.600 1.00 57.24 O +ATOM 25 CB VAL A 891 -11.320 -17.760 3.208 1.00 60.85 C +ATOM 26 CG1 VAL A 891 -11.950 -19.062 3.744 1.00 62.96 C +ATOM 27 CG2 VAL A 891 -9.783 -17.836 3.315 1.00 59.88 C +ATOM 28 H VAL A 891 -13.848 -17.732 2.114 1.00 57.37 H +ATOM 29 HA VAL A 891 -11.234 -16.448 1.522 1.00 55.39 H +ATOM 30 HB VAL A 891 -11.633 -16.964 3.886 1.00 60.85 H +ATOM 31 HG11 VAL A 891 -11.669 -19.228 4.784 1.00 62.96 H +ATOM 32 HG12 VAL A 891 -13.039 -19.023 3.705 1.00 62.96 H +ATOM 33 HG13 VAL A 891 -11.625 -19.938 3.181 1.00 62.96 H +ATOM 34 HG21 VAL A 891 -9.471 -17.998 4.347 1.00 59.88 H +ATOM 35 HG22 VAL A 891 -9.371 -18.653 2.722 1.00 59.88 H +ATOM 36 HG23 VAL A 891 -9.317 -16.911 2.976 1.00 59.88 H +ATOM 37 N PHE A 892 -10.333 -18.266 0.092 1.00 49.19 N +ATOM 38 CA PHE A 892 -9.737 -19.177 -0.882 1.00 47.07 C +ATOM 39 C PHE A 892 -8.380 -19.651 -0.339 1.00 52.74 C +ATOM 40 O PHE A 892 -7.608 -18.823 0.145 1.00 53.11 O +ATOM 41 CB PHE A 892 -9.548 -18.421 -2.218 1.00 45.10 C +ATOM 42 CG PHE A 892 -10.811 -18.198 -3.035 1.00 44.18 C +ATOM 43 CD1 PHE A 892 -11.105 -19.046 -4.121 1.00 44.87 C +ATOM 44 CD2 PHE A 892 -11.759 -17.226 -2.652 1.00 45.07 C +ATOM 45 CE1 PHE A 892 -12.296 -18.906 -4.820 1.00 45.27 C +ATOM 46 CE2 PHE A 892 -12.948 -17.107 -3.359 1.00 46.87 C +ATOM 47 CZ PHE A 892 -13.217 -17.942 -4.436 1.00 44.38 C +ATOM 48 H PHE A 892 -9.787 -17.437 0.287 1.00 49.19 H +ATOM 49 HA PHE A 892 -10.372 -20.049 -1.045 1.00 47.07 H +ATOM 50 HB3 PHE A 892 -8.823 -18.940 -2.848 1.00 45.10 H +ATOM 51 HB2 PHE A 892 -9.118 -17.442 -2.013 1.00 45.10 H +ATOM 52 HD1 PHE A 892 -10.397 -19.800 -4.420 1.00 44.87 H +ATOM 53 HD2 PHE A 892 -11.571 -16.579 -1.808 1.00 45.07 H +ATOM 54 HE1 PHE A 892 -12.510 -19.556 -5.656 1.00 45.27 H +ATOM 55 HE2 PHE A 892 -13.676 -16.372 -3.060 1.00 46.87 H +ATOM 56 HZ PHE A 892 -14.150 -17.846 -4.972 1.00 44.38 H +ATOM 57 N HIS A 893 -8.098 -20.960 -0.436 1.00 50.80 N +ATOM 58 CA HIS A 893 -6.830 -21.547 0.015 1.00 51.86 C +ATOM 59 C HIS A 893 -5.856 -21.663 -1.167 1.00 53.50 C +ATOM 60 O HIS A 893 -6.231 -22.207 -2.207 1.00 52.26 O +ATOM 61 CB HIS A 893 -7.080 -22.919 0.673 1.00 55.68 C +ATOM 62 CG HIS A 893 -8.193 -22.952 1.693 1.00 61.81 C +ATOM 63 ND1 HIS A 893 -9.449 -23.503 1.418 1.00 65.50 N +ATOM 64 CD2 HIS A 893 -8.186 -22.487 2.991 1.00 65.19 C +ATOM 65 CE1 HIS A 893 -10.146 -23.337 2.535 1.00 67.02 C +ATOM 66 NE2 HIS A 893 -9.446 -22.742 3.502 1.00 67.16 N +ATOM 67 H HIS A 893 -8.771 -21.595 -0.841 1.00 50.80 H +ATOM 68 HA HIS A 893 -6.384 -20.905 0.779 1.00 51.86 H +ATOM 69 HB3 HIS A 893 -6.171 -23.240 1.179 1.00 55.68 H +ATOM 70 HB2 HIS A 893 -7.293 -23.672 -0.086 1.00 55.68 H +ATOM 71 HD2 HIS A 893 -7.414 -22.001 3.570 1.00 65.19 H +ATOM 72 HE1 HIS A 893 -11.172 -23.653 2.649 1.00 67.02 H +ATOM 73 HE2 HIS A 893 -9.778 -22.515 4.429 1.00 67.16 H +ATOM 74 N LYS A 894 -4.617 -21.164 -0.991 1.00 50.22 N +ATOM 75 CA LYS A 894 -3.605 -21.102 -2.056 1.00 49.02 C +ATOM 76 C LYS A 894 -3.096 -22.481 -2.531 1.00 53.09 C +ATOM 77 O LYS A 894 -2.652 -22.592 -3.673 1.00 51.68 O +ATOM 78 CB LYS A 894 -2.446 -20.167 -1.639 1.00 52.12 C +ATOM 79 CG LYS A 894 -1.602 -19.700 -2.842 1.00 67.25 C +ATOM 80 CD LYS A 894 -0.572 -18.609 -2.519 1.00 79.06 C +ATOM 81 CE LYS A 894 0.104 -18.102 -3.806 1.00 86.18 C +ATOM 82 NZ LYS A 894 1.179 -17.133 -3.536 1.00 95.28 N1+ +ATOM 83 H LYS A 894 -4.369 -20.732 -0.112 1.00 50.22 H +ATOM 84 HA LYS A 894 -4.098 -20.647 -2.917 1.00 49.02 H +ATOM 85 HB3 LYS A 894 -1.817 -20.640 -0.883 1.00 52.12 H +ATOM 86 HB2 LYS A 894 -2.858 -19.278 -1.165 1.00 52.12 H +ATOM 87 HG3 LYS A 894 -2.270 -19.333 -3.622 1.00 67.25 H +ATOM 88 HG2 LYS A 894 -1.073 -20.550 -3.274 1.00 67.25 H +ATOM 89 HD3 LYS A 894 0.174 -19.011 -1.832 1.00 79.06 H +ATOM 90 HD2 LYS A 894 -1.059 -17.784 -1.996 1.00 79.06 H +ATOM 91 HE3 LYS A 894 -0.634 -17.630 -4.458 1.00 86.18 H +ATOM 92 HE2 LYS A 894 0.533 -18.936 -4.361 1.00 86.18 H +ATOM 93 HZ1 LYS A 894 1.904 -17.574 -2.991 1.00 95.28 H +ATOM 94 HZ2 LYS A 894 1.567 -16.797 -4.405 1.00 95.28 H +ATOM 95 HZ3 LYS A 894 0.817 -16.347 -3.008 1.00 95.28 H +ATOM 96 N ARG A 895 -3.225 -23.513 -1.679 1.00 51.74 N +ATOM 97 CA ARG A 895 -2.945 -24.923 -1.981 1.00 52.94 C +ATOM 98 C ARG A 895 -3.830 -25.521 -3.100 1.00 55.31 C +ATOM 99 O ARG A 895 -3.429 -26.518 -3.700 1.00 55.61 O +ATOM 100 CB ARG A 895 -3.065 -25.740 -0.673 1.00 57.62 C +ATOM 101 CG ARG A 895 -4.465 -25.710 -0.027 1.00 70.70 C +ATOM 102 CD ARG A 895 -4.563 -26.513 1.278 1.00 85.20 C +ATOM 103 NE ARG A 895 -5.852 -26.272 1.954 1.00 97.62 N +ATOM 104 CZ ARG A 895 -6.489 -27.062 2.839 1.00116.87 C +ATOM 105 NH1 ARG A 895 -5.989 -28.241 3.242 1.00109.22 N +ATOM 106 NH2 ARG A 895 -7.664 -26.652 3.334 1.00103.80 N1+ +ATOM 107 H ARG A 895 -3.600 -23.330 -0.759 1.00 51.74 H +ATOM 108 HA ARG A 895 -1.910 -24.981 -2.324 1.00 52.94 H +ATOM 109 HB3 ARG A 895 -2.339 -25.356 0.045 1.00 57.62 H +ATOM 110 HB2 ARG A 895 -2.773 -26.775 -0.861 1.00 57.62 H +ATOM 111 HG3 ARG A 895 -5.144 -26.181 -0.737 1.00 70.70 H +ATOM 112 HG2 ARG A 895 -4.833 -24.694 0.101 1.00 70.70 H +ATOM 113 HD3 ARG A 895 -3.704 -26.359 1.932 1.00 85.20 H +ATOM 114 HD2 ARG A 895 -4.565 -27.568 1.003 1.00 85.20 H +ATOM 115 HE ARG A 895 -6.304 -25.406 1.702 1.00 97.62 H +ATOM 116 HH12 ARG A 895 -6.492 -28.816 3.903 1.00109.22 H +ATOM 117 HH11 ARG A 895 -5.102 -28.562 2.882 1.00109.22 H +ATOM 118 HH22 ARG A 895 -8.172 -27.228 3.989 1.00103.80 H +ATOM 119 HH21 ARG A 895 -8.068 -25.776 3.034 1.00103.80 H +ATOM 120 N TYR A 896 -5.001 -24.914 -3.356 1.00 49.98 N +ATOM 121 CA TYR A 896 -5.957 -25.336 -4.380 1.00 49.28 C +ATOM 122 C TYR A 896 -5.911 -24.458 -5.644 1.00 50.16 C +ATOM 123 O TYR A 896 -6.506 -24.854 -6.645 1.00 48.17 O +ATOM 124 CB TYR A 896 -7.373 -25.345 -3.772 1.00 51.36 C +ATOM 125 CG TYR A 896 -7.594 -26.245 -2.564 1.00 55.87 C +ATOM 126 CD1 TYR A 896 -7.000 -27.525 -2.485 1.00 59.63 C +ATOM 127 CD2 TYR A 896 -8.450 -25.816 -1.527 1.00 57.59 C +ATOM 128 CE1 TYR A 896 -7.271 -28.369 -1.391 1.00 63.33 C +ATOM 129 CE2 TYR A 896 -8.715 -26.657 -0.430 1.00 61.39 C +ATOM 130 CZ TYR A 896 -8.133 -27.937 -0.365 1.00 71.07 C +ATOM 131 OH TYR A 896 -8.409 -28.761 0.686 1.00 74.22 O +ATOM 132 H TYR A 896 -5.265 -24.098 -2.819 1.00 49.98 H +ATOM 133 HA TYR A 896 -5.725 -26.346 -4.716 1.00 49.28 H +ATOM 134 HB3 TYR A 896 -8.104 -25.636 -4.527 1.00 51.36 H +ATOM 135 HB2 TYR A 896 -7.628 -24.327 -3.483 1.00 51.36 H +ATOM 136 HD1 TYR A 896 -6.355 -27.887 -3.271 1.00 59.63 H +ATOM 137 HD2 TYR A 896 -8.919 -24.844 -1.575 1.00 57.59 H +ATOM 138 HE1 TYR A 896 -6.824 -29.351 -1.350 1.00 63.33 H +ATOM 139 HE2 TYR A 896 -9.378 -26.321 0.355 1.00 61.39 H +ATOM 140 HH TYR A 896 -8.011 -29.630 0.597 1.00 74.22 H +ATOM 141 N LEU A 897 -5.203 -23.315 -5.600 1.00 46.72 N +ATOM 142 CA LEU A 897 -5.006 -22.413 -6.735 1.00 44.74 C +ATOM 143 C LEU A 897 -3.856 -22.916 -7.627 1.00 48.16 C +ATOM 144 O LEU A 897 -2.690 -22.749 -7.267 1.00 48.59 O +ATOM 145 CB LEU A 897 -4.717 -20.985 -6.204 1.00 44.20 C +ATOM 146 CG LEU A 897 -5.926 -20.218 -5.624 1.00 48.88 C +ATOM 147 CD1 LEU A 897 -5.488 -18.975 -4.826 1.00 51.85 C +ATOM 148 CD2 LEU A 897 -6.961 -19.830 -6.699 1.00 47.58 C +ATOM 149 H LEU A 897 -4.713 -23.068 -4.752 1.00 46.72 H +ATOM 150 HA LEU A 897 -5.911 -22.397 -7.341 1.00 44.74 H +ATOM 151 HB3 LEU A 897 -4.298 -20.370 -6.995 1.00 44.20 H +ATOM 152 HB2 LEU A 897 -3.933 -21.049 -5.448 1.00 44.20 H +ATOM 153 HG LEU A 897 -6.408 -20.885 -4.910 1.00 48.88 H +ATOM 154 HD11 LEU A 897 -5.824 -19.063 -3.794 1.00 51.85 H +ATOM 155 HD12 LEU A 897 -4.405 -18.849 -4.811 1.00 51.85 H +ATOM 156 HD13 LEU A 897 -5.912 -18.052 -5.222 1.00 51.85 H +ATOM 157 HD21 LEU A 897 -7.930 -19.630 -6.243 1.00 47.58 H +ATOM 158 HD22 LEU A 897 -6.662 -18.930 -7.236 1.00 47.58 H +ATOM 159 HD23 LEU A 897 -7.112 -20.606 -7.447 1.00 47.58 H +ATOM 160 N LYS A 898 -4.212 -23.500 -8.785 1.00 44.15 N +ATOM 161 CA LYS A 898 -3.281 -23.916 -9.836 1.00 44.11 C +ATOM 162 C LYS A 898 -3.163 -22.788 -10.872 1.00 46.50 C +ATOM 163 O LYS A 898 -4.150 -22.501 -11.547 1.00 45.72 O +ATOM 164 CB LYS A 898 -3.795 -25.205 -10.520 1.00 48.28 C +ATOM 165 CG LYS A 898 -3.567 -26.517 -9.747 1.00 70.59 C +ATOM 166 CD LYS A 898 -4.431 -26.693 -8.488 1.00 82.83 C +ATOM 167 CE LYS A 898 -4.401 -28.143 -7.978 1.00 97.68 C +ATOM 168 NZ LYS A 898 -5.195 -28.319 -6.751 1.00107.26 N1+ +ATOM 169 H LYS A 898 -5.194 -23.613 -9.002 1.00 44.15 H +ATOM 170 HA LYS A 898 -2.295 -24.118 -9.411 1.00 44.11 H +ATOM 171 HB3 LYS A 898 -3.260 -25.323 -11.463 1.00 48.28 H +ATOM 172 HB2 LYS A 898 -4.846 -25.106 -10.796 1.00 48.28 H +ATOM 173 HG3 LYS A 898 -2.514 -26.604 -9.479 1.00 70.59 H +ATOM 174 HG2 LYS A 898 -3.768 -27.344 -10.428 1.00 70.59 H +ATOM 175 HD3 LYS A 898 -5.455 -26.383 -8.703 1.00 82.83 H +ATOM 176 HD2 LYS A 898 -4.062 -26.029 -7.706 1.00 82.83 H +ATOM 177 HE3 LYS A 898 -3.375 -28.449 -7.772 1.00 97.68 H +ATOM 178 HE2 LYS A 898 -4.793 -28.817 -8.740 1.00 97.68 H +ATOM 179 HZ1 LYS A 898 -4.831 -27.721 -6.023 1.00107.26 H +ATOM 180 HZ2 LYS A 898 -6.163 -28.083 -6.930 1.00107.26 H +ATOM 181 HZ3 LYS A 898 -5.142 -29.283 -6.452 1.00107.26 H +ATOM 182 N LYS A 899 -1.976 -22.168 -10.979 1.00 42.86 N +ATOM 183 CA LYS A 899 -1.715 -21.053 -11.896 1.00 42.35 C +ATOM 184 C LYS A 899 -1.710 -21.509 -13.364 1.00 45.75 C +ATOM 185 O LYS A 899 -1.010 -22.466 -13.695 1.00 46.24 O +ATOM 186 CB LYS A 899 -0.384 -20.377 -11.511 1.00 45.46 C +ATOM 187 CG LYS A 899 -0.120 -19.063 -12.268 1.00 54.73 C +ATOM 188 CD LYS A 899 1.112 -18.321 -11.738 1.00 64.90 C +ATOM 189 CE LYS A 899 1.421 -17.067 -12.567 1.00 74.92 C +ATOM 190 NZ LYS A 899 2.592 -16.340 -12.049 1.00 84.51 N1+ +ATOM 191 H LYS A 899 -1.202 -22.463 -10.401 1.00 42.86 H +ATOM 192 HA LYS A 899 -2.513 -20.321 -11.766 1.00 42.35 H +ATOM 193 HB3 LYS A 899 0.447 -21.067 -11.662 1.00 45.46 H +ATOM 194 HB2 LYS A 899 -0.395 -20.160 -10.444 1.00 45.46 H +ATOM 195 HG3 LYS A 899 -0.994 -18.415 -12.191 1.00 54.73 H +ATOM 196 HG2 LYS A 899 0.016 -19.269 -13.331 1.00 54.73 H +ATOM 197 HD3 LYS A 899 1.971 -18.995 -11.744 1.00 64.90 H +ATOM 198 HD2 LYS A 899 0.940 -18.044 -10.697 1.00 64.90 H +ATOM 199 HE3 LYS A 899 0.565 -16.394 -12.569 1.00 74.92 H +ATOM 200 HE2 LYS A 899 1.613 -17.340 -13.606 1.00 74.92 H +ATOM 201 HZ1 LYS A 899 2.751 -15.539 -12.648 1.00 84.51 H +ATOM 202 HZ2 LYS A 899 2.412 -16.031 -11.105 1.00 84.51 H +ATOM 203 HZ3 LYS A 899 3.403 -16.940 -12.068 1.00 84.51 H +ATOM 204 N ILE A 900 -2.476 -20.797 -14.206 1.00 41.32 N +ATOM 205 CA ILE A 900 -2.608 -21.077 -15.635 1.00 41.22 C +ATOM 206 C ILE A 900 -1.689 -20.144 -16.450 1.00 44.92 C +ATOM 207 O ILE A 900 -0.922 -20.643 -17.273 1.00 45.41 O +ATOM 208 CB ILE A 900 -4.082 -20.931 -16.132 1.00 44.36 C +ATOM 209 CG1 ILE A 900 -5.029 -21.869 -15.337 1.00 45.50 C +ATOM 210 CG2 ILE A 900 -4.227 -21.187 -17.653 1.00 46.17 C +ATOM 211 CD1 ILE A 900 -6.531 -21.662 -15.602 1.00 56.14 C +ATOM 212 H ILE A 900 -3.013 -20.014 -13.855 1.00 41.32 H +ATOM 213 HA ILE A 900 -2.297 -22.105 -15.838 1.00 41.22 H +ATOM 214 HB ILE A 900 -4.402 -19.907 -15.938 1.00 44.36 H +ATOM 215 HG13 ILE A 900 -4.872 -21.741 -14.266 1.00 45.50 H +ATOM 216 HG12 ILE A 900 -4.767 -22.907 -15.547 1.00 45.50 H +ATOM 217 HG21 ILE A 900 -5.260 -21.102 -17.987 1.00 46.17 H +ATOM 218 HG22 ILE A 900 -3.658 -20.477 -18.251 1.00 46.17 H +ATOM 219 HG23 ILE A 900 -3.883 -22.188 -17.914 1.00 46.17 H +ATOM 220 HD11 ILE A 900 -6.987 -22.573 -15.990 1.00 56.14 H +ATOM 221 HD12 ILE A 900 -7.058 -21.398 -14.686 1.00 56.14 H +ATOM 222 HD13 ILE A 900 -6.727 -20.869 -16.318 1.00 56.14 H +ATOM 223 N ARG A 901 -1.770 -18.823 -16.201 1.00 40.97 N +ATOM 224 CA ARG A 901 -0.997 -17.788 -16.897 1.00 41.13 C +ATOM 225 C ARG A 901 -1.152 -16.429 -16.196 1.00 44.46 C +ATOM 226 O ARG A 901 -2.030 -16.267 -15.350 1.00 43.07 O +ATOM 227 CB ARG A 901 -1.414 -17.690 -18.392 1.00 41.29 C +ATOM 228 CG ARG A 901 -2.892 -17.331 -18.653 1.00 52.38 C +ATOM 229 CD ARG A 901 -3.183 -17.150 -20.152 1.00 59.92 C +ATOM 230 NE ARG A 901 -4.626 -17.046 -20.437 1.00 68.07 N +ATOM 231 CZ ARG A 901 -5.470 -18.055 -20.730 1.00 83.41 C +ATOM 232 NH1 ARG A 901 -5.062 -19.332 -20.802 1.00 64.57 N +ATOM 233 NH2 ARG A 901 -6.759 -17.778 -20.957 1.00 77.22 N1+ +ATOM 234 H ARG A 901 -2.406 -18.486 -15.491 1.00 40.97 H +ATOM 235 HA ARG A 901 0.058 -18.063 -16.841 1.00 41.13 H +ATOM 236 HB3 ARG A 901 -1.193 -18.632 -18.895 1.00 41.29 H +ATOM 237 HB2 ARG A 901 -0.781 -16.955 -18.891 1.00 41.29 H +ATOM 238 HG3 ARG A 901 -3.068 -16.366 -18.177 1.00 52.38 H +ATOM 239 HG2 ARG A 901 -3.588 -18.026 -18.181 1.00 52.38 H +ATOM 240 HD3 ARG A 901 -2.657 -17.869 -20.781 1.00 59.92 H +ATOM 241 HD2 ARG A 901 -2.800 -16.171 -20.443 1.00 59.92 H +ATOM 242 HE ARG A 901 -5.007 -16.113 -20.378 1.00 68.07 H +ATOM 243 HH12 ARG A 901 -5.713 -20.071 -21.028 1.00 64.57 H +ATOM 244 HH11 ARG A 901 -4.092 -19.560 -20.641 1.00 64.57 H +ATOM 245 HH22 ARG A 901 -7.410 -18.517 -21.182 1.00 77.22 H +ATOM 246 HH21 ARG A 901 -7.102 -16.830 -20.895 1.00 77.22 H +ATOM 247 N ASP A 902 -0.323 -15.460 -16.614 1.00 41.92 N +ATOM 248 CA ASP A 902 -0.462 -14.037 -16.281 1.00 41.86 C +ATOM 249 C ASP A 902 -1.530 -13.384 -17.180 1.00 43.46 C +ATOM 250 O ASP A 902 -1.645 -13.762 -18.347 1.00 42.68 O +ATOM 251 CB ASP A 902 0.874 -13.259 -16.416 1.00 46.10 C +ATOM 252 CG ASP A 902 2.078 -13.818 -15.635 1.00 63.12 C +ATOM 253 OD1 ASP A 902 1.870 -14.513 -14.616 1.00 62.46 O +ATOM 254 OD2 ASP A 902 3.210 -13.412 -15.974 1.00 75.36 O1- +ATOM 255 H ASP A 902 0.377 -15.674 -17.309 1.00 41.92 H +ATOM 256 HA ASP A 902 -0.792 -13.955 -15.244 1.00 41.86 H +ATOM 257 HB3 ASP A 902 0.727 -12.230 -16.084 1.00 46.10 H +ATOM 258 HB2 ASP A 902 1.158 -13.213 -17.470 1.00 46.10 H +ATOM 259 N LEU A 903 -2.266 -12.402 -16.629 1.00 39.42 N +ATOM 260 CA LEU A 903 -3.266 -11.612 -17.361 1.00 38.97 C +ATOM 261 C LEU A 903 -2.800 -10.167 -17.624 1.00 45.51 C +ATOM 262 O LEU A 903 -3.368 -9.532 -18.512 1.00 47.25 O +ATOM 263 CB LEU A 903 -4.613 -11.610 -16.597 1.00 37.74 C +ATOM 264 CG LEU A 903 -5.292 -12.992 -16.453 1.00 40.14 C +ATOM 265 CD1 LEU A 903 -6.584 -12.885 -15.612 1.00 39.42 C +ATOM 266 CD2 LEU A 903 -5.538 -13.684 -17.813 1.00 39.39 C +ATOM 267 H LEU A 903 -2.118 -12.145 -15.662 1.00 39.42 H +ATOM 268 HA LEU A 903 -3.431 -12.042 -18.349 1.00 38.97 H +ATOM 269 HB3 LEU A 903 -5.312 -10.940 -17.101 1.00 37.74 H +ATOM 270 HB2 LEU A 903 -4.456 -11.182 -15.606 1.00 37.74 H +ATOM 271 HG LEU A 903 -4.607 -13.628 -15.894 1.00 40.14 H +ATOM 272 HD11 LEU A 903 -7.469 -13.233 -16.144 1.00 39.42 H +ATOM 273 HD12 LEU A 903 -6.505 -13.478 -14.700 1.00 39.42 H +ATOM 274 HD13 LEU A 903 -6.792 -11.858 -15.309 1.00 39.42 H +ATOM 275 HD21 LEU A 903 -6.518 -14.157 -17.878 1.00 39.39 H +ATOM 276 HD22 LEU A 903 -5.473 -12.985 -18.647 1.00 39.39 H +ATOM 277 HD23 LEU A 903 -4.799 -14.467 -17.983 1.00 39.39 H +ATOM 278 N GLY A 904 -1.787 -9.678 -16.888 1.00 41.87 N +ATOM 279 CA GLY A 904 -1.233 -8.334 -17.056 1.00 43.49 C +ATOM 280 C GLY A 904 -1.001 -7.676 -15.691 1.00 48.38 C +ATOM 281 O GLY A 904 -1.021 -8.337 -14.652 1.00 47.59 O +ATOM 282 H GLY A 904 -1.378 -10.247 -16.161 1.00 41.87 H +ATOM 283 HA3 GLY A 904 -1.885 -7.692 -17.651 1.00 43.49 H +ATOM 284 HA2 GLY A 904 -0.281 -8.408 -17.583 1.00 43.49 H +ATOM 285 N GLU A 905 -0.748 -6.357 -15.725 1.00 46.73 N +ATOM 286 CA GLU A 905 -0.417 -5.525 -14.569 1.00 47.46 C +ATOM 287 C GLU A 905 -1.531 -4.504 -14.307 1.00 51.67 C +ATOM 288 O GLU A 905 -1.864 -3.725 -15.201 1.00 51.35 O +ATOM 289 CB GLU A 905 0.924 -4.797 -14.829 1.00 51.27 C +ATOM 290 CG GLU A 905 2.147 -5.728 -15.015 1.00 66.56 C +ATOM 291 CD GLU A 905 2.576 -6.521 -13.768 1.00 94.70 C +ATOM 292 OE1 GLU A 905 2.400 -6.007 -12.640 1.00 96.75 O +ATOM 293 OE2 GLU A 905 3.095 -7.642 -13.966 1.00 86.75 O1- +ATOM 294 H GLU A 905 -0.750 -5.878 -16.614 1.00 46.73 H +ATOM 295 HA GLU A 905 -0.307 -6.137 -13.676 1.00 47.46 H +ATOM 296 HB3 GLU A 905 1.120 -4.082 -14.028 1.00 51.27 H +ATOM 297 HB2 GLU A 905 0.830 -4.187 -15.730 1.00 51.27 H +ATOM 298 HG3 GLU A 905 3.002 -5.122 -15.318 1.00 66.56 H +ATOM 299 HG2 GLU A 905 1.966 -6.414 -15.843 1.00 66.56 H +ATOM 300 N GLY A 906 -2.041 -4.499 -13.065 1.00 48.81 N +ATOM 301 CA GLY A 906 -2.899 -3.442 -12.530 1.00 50.44 C +ATOM 302 C GLY A 906 -2.031 -2.432 -11.760 1.00 59.13 C +ATOM 303 O GLY A 906 -0.800 -2.482 -11.823 1.00 59.62 O +ATOM 304 H GLY A 906 -1.692 -5.168 -12.392 1.00 48.81 H +ATOM 305 HA3 GLY A 906 -3.633 -3.889 -11.863 1.00 50.44 H +ATOM 306 HA2 GLY A 906 -3.454 -2.930 -13.318 1.00 50.44 H +ATOM 307 N HIS A 907 -2.680 -1.495 -11.046 1.00 58.87 N +ATOM 308 CA HIS A 907 -2.017 -0.393 -10.336 1.00 61.58 C +ATOM 309 C HIS A 907 -1.029 -0.832 -9.231 1.00 65.75 C +ATOM 310 O HIS A 907 0.142 -0.460 -9.310 1.00 67.01 O +ATOM 311 CB HIS A 907 -3.060 0.621 -9.823 1.00 64.07 C +ATOM 312 CG HIS A 907 -2.450 1.857 -9.203 1.00 71.10 C +ATOM 313 ND1 HIS A 907 -2.397 2.065 -7.835 1.00 74.01 N +ATOM 314 CD2 HIS A 907 -1.835 2.954 -9.768 1.00 75.68 C +ATOM 315 CE1 HIS A 907 -1.760 3.221 -7.637 1.00 76.67 C +ATOM 316 NE2 HIS A 907 -1.387 3.815 -8.764 1.00 78.22 N +ATOM 317 H HIS A 907 -3.690 -1.460 -11.073 1.00 58.87 H +ATOM 318 HA HIS A 907 -1.423 0.130 -11.089 1.00 61.58 H +ATOM 319 HB3 HIS A 907 -3.718 0.147 -9.095 1.00 64.07 H +ATOM 320 HB2 HIS A 907 -3.699 0.944 -10.646 1.00 64.07 H +ATOM 321 HD1 HIS A 907 -2.772 1.461 -7.117 1.00 74.01 H +ATOM 322 HD2 HIS A 907 -1.663 3.181 -10.810 1.00 75.68 H +ATOM 323 HE1 HIS A 907 -1.572 3.635 -6.657 1.00 76.67 H +ATOM 324 N PHE A 908 -1.502 -1.601 -8.232 1.00 61.05 N +ATOM 325 CA PHE A 908 -0.677 -2.051 -7.099 1.00 61.65 C +ATOM 326 C PHE A 908 0.155 -3.319 -7.361 1.00 63.63 C +ATOM 327 O PHE A 908 1.046 -3.610 -6.561 1.00 65.29 O +ATOM 328 CB PHE A 908 -1.545 -2.204 -5.832 1.00 63.30 C +ATOM 329 CG PHE A 908 -2.048 -0.890 -5.260 1.00 67.27 C +ATOM 330 CD1 PHE A 908 -1.140 0.100 -4.825 1.00 73.63 C +ATOM 331 CD2 PHE A 908 -3.431 -0.640 -5.165 1.00 68.80 C +ATOM 332 CE1 PHE A 908 -1.613 1.313 -4.343 1.00 76.93 C +ATOM 333 CE2 PHE A 908 -3.882 0.569 -4.660 1.00 73.69 C +ATOM 334 CZ PHE A 908 -2.979 1.549 -4.269 1.00 75.01 C +ATOM 335 H PHE A 908 -2.476 -1.862 -8.213 1.00 61.05 H +ATOM 336 HA PHE A 908 0.064 -1.278 -6.891 1.00 61.65 H +ATOM 337 HB3 PHE A 908 -0.987 -2.705 -5.039 1.00 63.30 H +ATOM 338 HB2 PHE A 908 -2.395 -2.852 -6.049 1.00 63.30 H +ATOM 339 HD1 PHE A 908 -0.076 -0.078 -4.876 1.00 73.63 H +ATOM 340 HD2 PHE A 908 -4.144 -1.385 -5.476 1.00 68.80 H +ATOM 341 HE1 PHE A 908 -0.920 2.076 -4.024 1.00 76.93 H +ATOM 342 HE2 PHE A 908 -4.943 0.751 -4.574 1.00 73.69 H +ATOM 343 HZ PHE A 908 -3.344 2.494 -3.896 1.00 75.01 H +ATOM 344 N GLY A 909 -0.116 -4.035 -8.462 1.00 56.05 N +ATOM 345 CA GLY A 909 0.645 -5.223 -8.825 1.00 53.59 C +ATOM 346 C GLY A 909 -0.134 -6.075 -9.830 1.00 52.99 C +ATOM 347 O GLY A 909 -1.183 -5.682 -10.345 1.00 51.95 O +ATOM 348 H GLY A 909 -0.845 -3.743 -9.098 1.00 56.05 H +ATOM 349 HA3 GLY A 909 0.880 -5.822 -7.944 1.00 53.59 H +ATOM 350 HA2 GLY A 909 1.591 -4.918 -9.275 1.00 53.59 H +ATOM 351 N LYS A 910 0.447 -7.247 -10.121 1.00 47.39 N +ATOM 352 CA LYS A 910 0.039 -8.182 -11.165 1.00 44.86 C +ATOM 353 C LYS A 910 -1.304 -8.882 -10.911 1.00 43.37 C +ATOM 354 O LYS A 910 -1.657 -9.145 -9.763 1.00 42.02 O +ATOM 355 CB LYS A 910 1.171 -9.209 -11.373 1.00 48.19 C +ATOM 356 CG LYS A 910 1.460 -10.142 -10.177 1.00 70.18 C +ATOM 357 CD LYS A 910 2.694 -11.050 -10.350 1.00 80.07 C +ATOM 358 CE LYS A 910 2.503 -12.257 -11.291 1.00 90.27 C +ATOM 359 NZ LYS A 910 2.526 -11.895 -12.719 1.00 99.37 N1+ +ATOM 360 H LYS A 910 1.303 -7.491 -9.643 1.00 47.39 H +ATOM 361 HA LYS A 910 -0.056 -7.608 -12.085 1.00 44.86 H +ATOM 362 HB3 LYS A 910 2.086 -8.677 -11.629 1.00 48.19 H +ATOM 363 HB2 LYS A 910 0.912 -9.801 -12.249 1.00 48.19 H +ATOM 364 HG3 LYS A 910 0.592 -10.765 -9.968 1.00 70.18 H +ATOM 365 HG2 LYS A 910 1.608 -9.538 -9.281 1.00 70.18 H +ATOM 366 HD3 LYS A 910 2.978 -11.424 -9.366 1.00 80.07 H +ATOM 367 HD2 LYS A 910 3.543 -10.449 -10.681 1.00 80.07 H +ATOM 368 HE3 LYS A 910 1.575 -12.778 -11.056 1.00 90.27 H +ATOM 369 HE2 LYS A 910 3.311 -12.971 -11.128 1.00 90.27 H +ATOM 370 HZ1 LYS A 910 1.779 -11.245 -12.918 1.00 99.37 H +ATOM 371 HZ2 LYS A 910 3.409 -11.462 -12.952 1.00 99.37 H +ATOM 372 HZ3 LYS A 910 2.402 -12.723 -13.289 1.00 99.37 H +ATOM 373 N VAL A 911 -1.976 -9.222 -12.020 1.00 37.15 N +ATOM 374 CA VAL A 911 -3.146 -10.094 -12.073 1.00 34.94 C +ATOM 375 C VAL A 911 -2.741 -11.369 -12.833 1.00 36.97 C +ATOM 376 O VAL A 911 -2.039 -11.284 -13.843 1.00 35.74 O +ATOM 377 CB VAL A 911 -4.326 -9.439 -12.846 1.00 38.64 C +ATOM 378 CG1 VAL A 911 -5.610 -10.298 -12.853 1.00 37.50 C +ATOM 379 CG2 VAL A 911 -4.666 -8.035 -12.316 1.00 39.45 C +ATOM 380 H VAL A 911 -1.599 -8.959 -12.923 1.00 37.15 H +ATOM 381 HA VAL A 911 -3.475 -10.371 -11.075 1.00 34.94 H +ATOM 382 HB VAL A 911 -4.013 -9.321 -13.882 1.00 38.64 H +ATOM 383 HG11 VAL A 911 -6.415 -9.793 -13.387 1.00 37.50 H +ATOM 384 HG12 VAL A 911 -5.465 -11.260 -13.341 1.00 37.50 H +ATOM 385 HG13 VAL A 911 -5.959 -10.492 -11.838 1.00 37.50 H +ATOM 386 HG21 VAL A 911 -5.488 -7.590 -12.876 1.00 39.45 H +ATOM 387 HG22 VAL A 911 -4.969 -8.077 -11.273 1.00 39.45 H +ATOM 388 HG23 VAL A 911 -3.821 -7.349 -12.396 1.00 39.45 H +ATOM 389 N SER A 912 -3.196 -12.524 -12.329 1.00 32.82 N +ATOM 390 CA SER A 912 -2.925 -13.835 -12.909 1.00 32.44 C +ATOM 391 C SER A 912 -4.190 -14.691 -12.861 1.00 36.01 C +ATOM 392 O SER A 912 -4.954 -14.614 -11.900 1.00 34.87 O +ATOM 393 CB SER A 912 -1.784 -14.519 -12.135 1.00 36.04 C +ATOM 394 OG SER A 912 -0.553 -13.876 -12.384 1.00 45.71 O +ATOM 395 H SER A 912 -3.773 -12.521 -11.497 1.00 32.82 H +ATOM 396 HA SER A 912 -2.647 -13.734 -13.959 1.00 32.44 H +ATOM 397 HB3 SER A 912 -1.687 -15.565 -12.429 1.00 36.04 H +ATOM 398 HB2 SER A 912 -1.976 -14.501 -11.065 1.00 36.04 H +ATOM 399 HG SER A 912 -0.598 -13.000 -11.991 1.00 45.71 H +ATOM 400 N LEU A 913 -4.360 -15.519 -13.898 1.00 32.94 N +ATOM 401 CA LEU A 913 -5.422 -16.506 -14.014 1.00 32.73 C +ATOM 402 C LEU A 913 -5.004 -17.796 -13.293 1.00 36.98 C +ATOM 403 O LEU A 913 -3.925 -18.324 -13.563 1.00 35.71 O +ATOM 404 CB LEU A 913 -5.709 -16.726 -15.515 1.00 33.31 C +ATOM 405 CG LEU A 913 -6.771 -17.793 -15.855 1.00 38.67 C +ATOM 406 CD1 LEU A 913 -8.126 -17.523 -15.167 1.00 39.26 C +ATOM 407 CD2 LEU A 913 -6.898 -17.945 -17.386 1.00 40.96 C +ATOM 408 H LEU A 913 -3.651 -15.557 -14.619 1.00 32.94 H +ATOM 409 HA LEU A 913 -6.320 -16.103 -13.544 1.00 32.73 H +ATOM 410 HB3 LEU A 913 -4.776 -16.992 -16.017 1.00 33.31 H +ATOM 411 HB2 LEU A 913 -6.022 -15.779 -15.950 1.00 33.31 H +ATOM 412 HG LEU A 913 -6.413 -18.749 -15.478 1.00 38.67 H +ATOM 413 HD11 LEU A 913 -8.971 -17.674 -15.835 1.00 39.26 H +ATOM 414 HD12 LEU A 913 -8.272 -18.197 -14.323 1.00 39.26 H +ATOM 415 HD13 LEU A 913 -8.204 -16.504 -14.788 1.00 39.26 H +ATOM 416 HD21 LEU A 913 -6.660 -18.961 -17.701 1.00 40.96 H +ATOM 417 HD22 LEU A 913 -7.896 -17.718 -17.755 1.00 40.96 H +ATOM 418 HD23 LEU A 913 -6.215 -17.281 -17.916 1.00 40.96 H +ATOM 419 N TYR A 914 -5.890 -18.272 -12.410 1.00 34.34 N +ATOM 420 CA TYR A 914 -5.764 -19.523 -11.671 1.00 35.26 C +ATOM 421 C TYR A 914 -7.038 -20.353 -11.860 1.00 40.97 C +ATOM 422 O TYR A 914 -8.125 -19.791 -11.988 1.00 41.41 O +ATOM 423 CB TYR A 914 -5.587 -19.229 -10.166 1.00 36.25 C +ATOM 424 CG TYR A 914 -4.259 -18.631 -9.738 1.00 37.55 C +ATOM 425 CD1 TYR A 914 -3.251 -19.459 -9.208 1.00 41.10 C +ATOM 426 CD2 TYR A 914 -4.047 -17.241 -9.803 1.00 37.73 C +ATOM 427 CE1 TYR A 914 -2.054 -18.906 -8.719 1.00 42.72 C +ATOM 428 CE2 TYR A 914 -2.846 -16.684 -9.320 1.00 39.24 C +ATOM 429 CZ TYR A 914 -1.847 -17.516 -8.780 1.00 49.59 C +ATOM 430 OH TYR A 914 -0.685 -16.975 -8.313 1.00 54.45 O +ATOM 431 H TYR A 914 -6.753 -17.765 -12.252 1.00 34.34 H +ATOM 432 HA TYR A 914 -4.912 -20.095 -12.038 1.00 35.26 H +ATOM 433 HB3 TYR A 914 -5.706 -20.157 -9.602 1.00 36.25 H +ATOM 434 HB2 TYR A 914 -6.387 -18.577 -9.815 1.00 36.25 H +ATOM 435 HD1 TYR A 914 -3.404 -20.524 -9.148 1.00 41.10 H +ATOM 436 HD2 TYR A 914 -4.818 -16.599 -10.201 1.00 37.73 H +ATOM 437 HE1 TYR A 914 -1.299 -19.554 -8.298 1.00 42.72 H +ATOM 438 HE2 TYR A 914 -2.702 -15.615 -9.342 1.00 39.24 H +ATOM 439 HH TYR A 914 -0.088 -17.630 -7.946 1.00 54.45 H +ATOM 440 N CYS A 915 -6.876 -21.681 -11.795 1.00 39.05 N +ATOM 441 CA CYS A 915 -7.955 -22.650 -11.657 1.00 40.20 C +ATOM 442 C CYS A 915 -8.001 -23.056 -10.175 1.00 43.77 C +ATOM 443 O CYS A 915 -7.104 -23.766 -9.717 1.00 43.29 O +ATOM 444 CB CYS A 915 -7.744 -23.856 -12.599 1.00 41.99 C +ATOM 445 SG CYS A 915 -9.063 -25.096 -12.442 1.00 48.59 S +ATOM 446 H CYS A 915 -5.940 -22.055 -11.694 1.00 39.05 H +ATOM 447 HA CYS A 915 -8.909 -22.193 -11.926 1.00 40.20 H +ATOM 448 HB3 CYS A 915 -6.787 -24.341 -12.400 1.00 41.99 H +ATOM 449 HB2 CYS A 915 -7.716 -23.523 -13.636 1.00 41.99 H +ATOM 450 HG CYS A 915 -10.044 -24.339 -12.945 1.00 48.59 H +ATOM 451 N TYR A 916 -9.028 -22.577 -9.453 1.00 39.62 N +ATOM 452 CA TYR A 916 -9.291 -22.957 -8.067 1.00 39.96 C +ATOM 453 C TYR A 916 -9.987 -24.321 -8.049 1.00 45.20 C +ATOM 454 O TYR A 916 -11.145 -24.408 -8.455 1.00 45.42 O +ATOM 455 CB TYR A 916 -10.137 -21.882 -7.363 1.00 40.18 C +ATOM 456 CG TYR A 916 -10.347 -22.156 -5.882 1.00 41.11 C +ATOM 457 CD1 TYR A 916 -9.242 -22.127 -5.008 1.00 41.72 C +ATOM 458 CD2 TYR A 916 -11.630 -22.444 -5.369 1.00 43.06 C +ATOM 459 CE1 TYR A 916 -9.423 -22.327 -3.628 1.00 42.69 C +ATOM 460 CE2 TYR A 916 -11.806 -22.668 -3.988 1.00 44.62 C +ATOM 461 CZ TYR A 916 -10.702 -22.598 -3.115 1.00 47.56 C +ATOM 462 OH TYR A 916 -10.859 -22.789 -1.773 1.00 49.11 O +ATOM 463 H TYR A 916 -9.739 -22.015 -9.905 1.00 39.62 H +ATOM 464 HA TYR A 916 -8.337 -23.031 -7.542 1.00 39.96 H +ATOM 465 HB3 TYR A 916 -11.104 -21.770 -7.858 1.00 40.18 H +ATOM 466 HB2 TYR A 916 -9.648 -20.913 -7.453 1.00 40.18 H +ATOM 467 HD1 TYR A 916 -8.255 -21.941 -5.395 1.00 41.72 H +ATOM 468 HD2 TYR A 916 -12.482 -22.486 -6.031 1.00 43.06 H +ATOM 469 HE1 TYR A 916 -8.578 -22.276 -2.962 1.00 42.69 H +ATOM 470 HE2 TYR A 916 -12.792 -22.881 -3.603 1.00 44.62 H +ATOM 471 HH TYR A 916 -11.770 -22.950 -1.517 1.00 49.11 H +ATOM 472 N ASP A 917 -9.247 -25.349 -7.615 1.00 46.60 N +ATOM 473 CA ASP A 917 -9.568 -26.748 -7.872 1.00 48.33 C +ATOM 474 C ASP A 917 -9.324 -27.594 -6.600 1.00 54.57 C +ATOM 475 O ASP A 917 -8.292 -28.263 -6.524 1.00 54.85 O +ATOM 476 CB ASP A 917 -8.737 -27.204 -9.102 1.00 50.11 C +ATOM 477 CG ASP A 917 -8.952 -28.624 -9.637 1.00 62.07 C +ATOM 478 OD1 ASP A 917 -10.073 -29.159 -9.492 1.00 63.23 O +ATOM 479 OD2 ASP A 917 -8.017 -29.097 -10.318 1.00 69.60 O1- +ATOM 480 H ASP A 917 -8.308 -25.173 -7.279 1.00 46.60 H +ATOM 481 HA ASP A 917 -10.624 -26.849 -8.125 1.00 48.33 H +ATOM 482 HB3 ASP A 917 -7.678 -27.054 -8.891 1.00 50.11 H +ATOM 483 HB2 ASP A 917 -8.947 -26.523 -9.926 1.00 50.11 H +ATOM 484 N PRO A 918 -10.245 -27.540 -5.604 1.00 52.47 N +ATOM 485 CA PRO A 918 -10.099 -28.303 -4.347 1.00 54.47 C +ATOM 486 C PRO A 918 -10.105 -29.837 -4.474 1.00 61.35 C +ATOM 487 O PRO A 918 -9.384 -30.493 -3.723 1.00 62.40 O +ATOM 488 CB PRO A 918 -11.247 -27.801 -3.453 1.00 56.45 C +ATOM 489 CG PRO A 918 -11.627 -26.452 -4.035 1.00 58.90 C +ATOM 490 CD PRO A 918 -11.414 -26.661 -5.527 1.00 53.43 C +ATOM 491 HA PRO A 918 -9.153 -28.002 -3.907 1.00 54.47 H +ATOM 492 HB3 PRO A 918 -10.960 -27.730 -2.403 1.00 56.45 H +ATOM 493 HB2 PRO A 918 -12.107 -28.470 -3.514 1.00 56.45 H +ATOM 494 HG3 PRO A 918 -10.934 -25.691 -3.673 1.00 58.90 H +ATOM 495 HG2 PRO A 918 -12.639 -26.137 -3.781 1.00 58.90 H +ATOM 496 HD2 PRO A 918 -12.269 -27.172 -5.971 1.00 53.43 H +ATOM 497 HD3 PRO A 918 -11.302 -25.700 -6.020 1.00 53.43 H +ATOM 498 N THR A 919 -10.908 -30.371 -5.409 1.00 59.02 N +ATOM 499 CA THR A 919 -11.065 -31.811 -5.644 1.00 61.06 C +ATOM 500 C THR A 919 -9.980 -32.404 -6.577 1.00 66.39 C +ATOM 501 O THR A 919 -9.856 -33.628 -6.623 1.00 67.71 O +ATOM 502 CB THR A 919 -12.455 -32.117 -6.260 1.00 69.24 C +ATOM 503 OG1 THR A 919 -12.587 -31.517 -7.529 1.00 68.64 O +ATOM 504 CG2 THR A 919 -13.631 -31.649 -5.388 1.00 68.24 C +ATOM 505 H THR A 919 -11.469 -29.770 -5.995 1.00 59.02 H +ATOM 506 HA THR A 919 -10.996 -32.335 -4.689 1.00 61.06 H +ATOM 507 HB THR A 919 -12.555 -33.194 -6.402 1.00 69.24 H +ATOM 508 HG1 THR A 919 -13.273 -31.975 -8.026 1.00 68.64 H +ATOM 509 HG21 THR A 919 -14.585 -31.933 -5.834 1.00 68.24 H +ATOM 510 HG22 THR A 919 -13.586 -32.099 -4.396 1.00 68.24 H +ATOM 511 HG23 THR A 919 -13.638 -30.566 -5.263 1.00 68.24 H +ATOM 512 N ASN A 920 -9.199 -31.547 -7.263 1.00 62.42 N +ATOM 513 CA ASN A 920 -8.037 -31.889 -8.098 1.00 62.48 C +ATOM 514 C ASN A 920 -8.379 -32.622 -9.421 1.00 68.30 C +ATOM 515 O ASN A 920 -7.482 -33.228 -10.010 1.00 68.75 O +ATOM 516 CB ASN A 920 -6.959 -32.651 -7.265 1.00 64.50 C +ATOM 517 CG ASN A 920 -5.482 -32.368 -7.596 1.00 90.28 C +ATOM 518 OD1 ASN A 920 -4.607 -32.746 -6.820 1.00 80.74 O +ATOM 519 ND2 ASN A 920 -5.168 -31.727 -8.725 1.00 86.67 N +ATOM 520 H ASN A 920 -9.392 -30.558 -7.185 1.00 62.42 H +ATOM 521 HA ASN A 920 -7.612 -30.949 -8.439 1.00 62.48 H +ATOM 522 HB3 ASN A 920 -7.142 -33.726 -7.268 1.00 64.50 H +ATOM 523 HB2 ASN A 920 -7.055 -32.344 -6.223 1.00 64.50 H +ATOM 524 HD22 ASN A 920 -4.200 -31.566 -8.962 1.00 86.67 H +ATOM 525 HD21 ASN A 920 -5.889 -31.458 -9.381 1.00 86.67 H +ATOM 526 N ASP A 921 -9.639 -32.549 -9.886 1.00 65.11 N +ATOM 527 CA ASP A 921 -10.110 -33.208 -11.117 1.00 65.45 C +ATOM 528 C ASP A 921 -9.983 -32.327 -12.382 1.00 68.10 C +ATOM 529 O ASP A 921 -10.139 -32.854 -13.484 1.00 68.54 O +ATOM 530 CB ASP A 921 -11.543 -33.795 -10.974 1.00 68.72 C +ATOM 531 CG ASP A 921 -12.665 -32.865 -10.474 1.00 75.04 C +ATOM 532 OD1 ASP A 921 -12.514 -31.626 -10.552 1.00 72.94 O +ATOM 533 OD2 ASP A 921 -13.723 -33.416 -10.100 1.00 81.22 O1- +ATOM 534 H ASP A 921 -10.329 -32.006 -9.382 1.00 65.11 H +ATOM 535 HA ASP A 921 -9.466 -34.068 -11.303 1.00 65.45 H +ATOM 536 HB3 ASP A 921 -11.487 -34.634 -10.278 1.00 68.72 H +ATOM 537 HB2 ASP A 921 -11.863 -34.230 -11.922 1.00 68.72 H +ATOM 538 N GLY A 922 -9.707 -31.023 -12.215 1.00 62.38 N +ATOM 539 CA GLY A 922 -9.545 -30.058 -13.304 1.00 60.09 C +ATOM 540 C GLY A 922 -10.856 -29.341 -13.671 1.00 63.42 C +ATOM 541 O GLY A 922 -10.825 -28.489 -14.558 1.00 62.74 O +ATOM 542 H GLY A 922 -9.595 -30.661 -11.276 1.00 62.38 H +ATOM 543 HA3 GLY A 922 -9.136 -30.537 -14.195 1.00 60.09 H +ATOM 544 HA2 GLY A 922 -8.818 -29.307 -12.996 1.00 60.09 H +ATOM 545 N THR A 923 -11.987 -29.652 -13.010 1.00 59.47 N +ATOM 546 CA THR A 923 -13.299 -29.033 -13.254 1.00 58.79 C +ATOM 547 C THR A 923 -13.546 -27.762 -12.400 1.00 58.95 C +ATOM 548 O THR A 923 -14.641 -27.202 -12.468 1.00 58.00 O +ATOM 549 CB THR A 923 -14.468 -30.043 -13.042 1.00 71.45 C +ATOM 550 OG1 THR A 923 -14.839 -30.230 -11.688 1.00 74.26 O +ATOM 551 CG2 THR A 923 -14.243 -31.407 -13.717 1.00 71.82 C +ATOM 552 H THR A 923 -11.959 -30.349 -12.276 1.00 59.47 H +ATOM 553 HA THR A 923 -13.346 -28.712 -14.296 1.00 58.79 H +ATOM 554 HB THR A 923 -15.350 -29.613 -13.519 1.00 71.45 H +ATOM 555 HG1 THR A 923 -14.137 -30.721 -11.242 1.00 74.26 H +ATOM 556 HG21 THR A 923 -15.116 -32.050 -13.599 1.00 71.82 H +ATOM 557 HG22 THR A 923 -14.062 -31.288 -14.785 1.00 71.82 H +ATOM 558 HG23 THR A 923 -13.389 -31.937 -13.295 1.00 71.82 H +ATOM 559 N GLY A 924 -12.527 -27.319 -11.642 1.00 53.95 N +ATOM 560 CA GLY A 924 -12.552 -26.143 -10.772 1.00 52.08 C +ATOM 561 C GLY A 924 -12.757 -24.826 -11.542 1.00 53.45 C +ATOM 562 O GLY A 924 -12.444 -24.726 -12.730 1.00 52.18 O +ATOM 563 H GLY A 924 -11.664 -27.845 -11.653 1.00 53.95 H +ATOM 564 HA3 GLY A 924 -11.591 -26.106 -10.264 1.00 52.08 H +ATOM 565 HA2 GLY A 924 -13.322 -26.265 -10.009 1.00 52.08 H +ATOM 566 N GLU A 925 -13.268 -23.806 -10.832 1.00 49.00 N +ATOM 567 CA GLU A 925 -13.573 -22.475 -11.360 1.00 47.60 C +ATOM 568 C GLU A 925 -12.317 -21.670 -11.724 1.00 48.02 C +ATOM 569 O GLU A 925 -11.376 -21.610 -10.931 1.00 45.98 O +ATOM 570 CB GLU A 925 -14.413 -21.693 -10.324 1.00 49.51 C +ATOM 571 CG GLU A 925 -15.824 -22.271 -10.073 1.00 66.63 C +ATOM 572 CD GLU A 925 -16.772 -22.136 -11.273 1.00 94.52 C +ATOM 573 OE1 GLU A 925 -16.947 -20.990 -11.747 1.00 89.72 O +ATOM 574 OE2 GLU A 925 -17.317 -23.179 -11.694 1.00 93.17 O1- +ATOM 575 H GLU A 925 -13.474 -23.948 -9.854 1.00 49.00 H +ATOM 576 HA GLU A 925 -14.163 -22.607 -12.270 1.00 47.60 H +ATOM 577 HB3 GLU A 925 -14.488 -20.643 -10.615 1.00 49.51 H +ATOM 578 HB2 GLU A 925 -13.879 -21.684 -9.372 1.00 49.51 H +ATOM 579 HG3 GLU A 925 -16.278 -21.747 -9.232 1.00 66.63 H +ATOM 580 HG2 GLU A 925 -15.750 -23.315 -9.764 1.00 66.63 H +ATOM 581 N MET A 926 -12.367 -21.015 -12.895 1.00 43.85 N +ATOM 582 CA MET A 926 -11.372 -20.046 -13.346 1.00 42.46 C +ATOM 583 C MET A 926 -11.612 -18.699 -12.645 1.00 43.50 C +ATOM 584 O MET A 926 -12.732 -18.187 -12.673 1.00 43.72 O +ATOM 585 CB MET A 926 -11.438 -19.902 -14.881 1.00 44.66 C +ATOM 586 CG MET A 926 -11.094 -21.201 -15.631 1.00 50.18 C +ATOM 587 SD MET A 926 -11.216 -21.102 -17.439 1.00 55.18 S +ATOM 588 CE MET A 926 -9.741 -20.125 -17.822 1.00 50.66 C +ATOM 589 H MET A 926 -13.198 -21.090 -13.467 1.00 43.85 H +ATOM 590 HA MET A 926 -10.380 -20.417 -13.087 1.00 42.46 H +ATOM 591 HB3 MET A 926 -10.750 -19.118 -15.194 1.00 44.66 H +ATOM 592 HB2 MET A 926 -12.431 -19.564 -15.182 1.00 44.66 H +ATOM 593 HG3 MET A 926 -11.765 -22.000 -15.315 1.00 50.18 H +ATOM 594 HG2 MET A 926 -10.087 -21.528 -15.370 1.00 50.18 H +ATOM 595 HE1 MET A 926 -9.633 -20.010 -18.900 1.00 50.66 H +ATOM 596 HE2 MET A 926 -9.821 -19.135 -17.380 1.00 50.66 H +ATOM 597 HE3 MET A 926 -8.847 -20.612 -17.434 1.00 50.66 H +ATOM 598 N VAL A 927 -10.552 -18.164 -12.023 1.00 36.95 N +ATOM 599 CA VAL A 927 -10.572 -16.924 -11.250 1.00 34.96 C +ATOM 600 C VAL A 927 -9.333 -16.073 -11.577 1.00 36.30 C +ATOM 601 O VAL A 927 -8.234 -16.609 -11.722 1.00 35.86 O +ATOM 602 CB VAL A 927 -10.612 -17.193 -9.714 1.00 39.31 C +ATOM 603 CG1 VAL A 927 -11.995 -17.684 -9.256 1.00 40.52 C +ATOM 604 CG2 VAL A 927 -9.509 -18.133 -9.184 1.00 39.38 C +ATOM 605 H VAL A 927 -9.664 -18.650 -12.044 1.00 36.95 H +ATOM 606 HA VAL A 927 -11.451 -16.336 -11.525 1.00 34.96 H +ATOM 607 HB VAL A 927 -10.460 -16.235 -9.215 1.00 39.31 H +ATOM 608 HG11 VAL A 927 -12.040 -17.774 -8.170 1.00 40.52 H +ATOM 609 HG12 VAL A 927 -12.773 -16.984 -9.558 1.00 40.52 H +ATOM 610 HG13 VAL A 927 -12.237 -18.659 -9.680 1.00 40.52 H +ATOM 611 HG21 VAL A 927 -9.589 -18.254 -8.103 1.00 39.38 H +ATOM 612 HG22 VAL A 927 -9.578 -19.126 -9.628 1.00 39.38 H +ATOM 613 HG23 VAL A 927 -8.512 -17.747 -9.385 1.00 39.38 H +ATOM 614 N ALA A 928 -9.549 -14.753 -11.672 1.00 33.12 N +ATOM 615 CA ALA A 928 -8.508 -13.748 -11.859 1.00 33.29 C +ATOM 616 C ALA A 928 -8.089 -13.215 -10.483 1.00 37.02 C +ATOM 617 O ALA A 928 -8.824 -12.433 -9.881 1.00 37.68 O +ATOM 618 CB ALA A 928 -9.055 -12.630 -12.757 1.00 33.26 C +ATOM 619 H ALA A 928 -10.480 -14.392 -11.510 1.00 33.12 H +ATOM 620 HA ALA A 928 -7.642 -14.185 -12.359 1.00 33.29 H +ATOM 621 HB1 ALA A 928 -8.318 -11.839 -12.899 1.00 33.26 H +ATOM 622 HB2 ALA A 928 -9.309 -13.020 -13.743 1.00 33.26 H +ATOM 623 HB3 ALA A 928 -9.955 -12.176 -12.339 1.00 33.26 H +ATOM 624 N VAL A 929 -6.929 -13.679 -10.001 1.00 32.01 N +ATOM 625 CA VAL A 929 -6.386 -13.327 -8.695 1.00 31.43 C +ATOM 626 C VAL A 929 -5.339 -12.217 -8.878 1.00 34.06 C +ATOM 627 O VAL A 929 -4.323 -12.441 -9.538 1.00 33.04 O +ATOM 628 CB VAL A 929 -5.699 -14.544 -8.016 1.00 35.67 C +ATOM 629 CG1 VAL A 929 -5.129 -14.224 -6.622 1.00 35.66 C +ATOM 630 CG2 VAL A 929 -6.645 -15.752 -7.913 1.00 35.86 C +ATOM 631 H VAL A 929 -6.362 -14.298 -10.567 1.00 32.01 H +ATOM 632 HA VAL A 929 -7.179 -12.973 -8.036 1.00 31.43 H +ATOM 633 HB VAL A 929 -4.859 -14.852 -8.635 1.00 35.67 H +ATOM 634 HG11 VAL A 929 -4.713 -15.115 -6.149 1.00 35.66 H +ATOM 635 HG12 VAL A 929 -4.326 -13.488 -6.662 1.00 35.66 H +ATOM 636 HG13 VAL A 929 -5.911 -13.837 -5.969 1.00 35.66 H +ATOM 637 HG21 VAL A 929 -6.163 -16.588 -7.406 1.00 35.86 H +ATOM 638 HG22 VAL A 929 -7.547 -15.499 -7.359 1.00 35.86 H +ATOM 639 HG23 VAL A 929 -6.946 -16.107 -8.899 1.00 35.86 H +ATOM 640 N LYS A 930 -5.609 -11.051 -8.274 1.00 30.97 N +ATOM 641 CA LYS A 930 -4.688 -9.921 -8.225 1.00 30.96 C +ATOM 642 C LYS A 930 -3.874 -9.971 -6.926 1.00 37.68 C +ATOM 643 O LYS A 930 -4.422 -10.306 -5.877 1.00 36.55 O +ATOM 644 CB LYS A 930 -5.484 -8.615 -8.399 1.00 33.16 C +ATOM 645 CG LYS A 930 -4.604 -7.361 -8.542 1.00 48.15 C +ATOM 646 CD LYS A 930 -5.426 -6.117 -8.901 1.00 51.77 C +ATOM 647 CE LYS A 930 -4.540 -4.880 -9.101 1.00 60.76 C +ATOM 648 NZ LYS A 930 -5.340 -3.711 -9.495 1.00 63.79 N1+ +ATOM 649 H LYS A 930 -6.464 -10.952 -7.739 1.00 30.97 H +ATOM 650 HA LYS A 930 -3.992 -9.988 -9.055 1.00 30.96 H +ATOM 651 HB3 LYS A 930 -6.195 -8.485 -7.583 1.00 33.16 H +ATOM 652 HB2 LYS A 930 -6.086 -8.707 -9.303 1.00 33.16 H +ATOM 653 HG3 LYS A 930 -3.851 -7.530 -9.312 1.00 48.15 H +ATOM 654 HG2 LYS A 930 -4.047 -7.177 -7.625 1.00 48.15 H +ATOM 655 HD3 LYS A 930 -6.159 -5.930 -8.114 1.00 51.77 H +ATOM 656 HD2 LYS A 930 -5.999 -6.315 -9.809 1.00 51.77 H +ATOM 657 HE3 LYS A 930 -3.797 -5.073 -9.874 1.00 60.76 H +ATOM 658 HE2 LYS A 930 -3.997 -4.643 -8.187 1.00 60.76 H +ATOM 659 HZ1 LYS A 930 -6.018 -3.510 -8.767 1.00 63.79 H +ATOM 660 HZ2 LYS A 930 -4.749 -2.903 -9.619 1.00 63.79 H +ATOM 661 HZ3 LYS A 930 -5.834 -3.899 -10.355 1.00 63.79 H +ATOM 662 N ALA A 931 -2.581 -9.634 -7.031 1.00 37.96 N +ATOM 663 CA ALA A 931 -1.625 -9.678 -5.932 1.00 40.37 C +ATOM 664 C ALA A 931 -0.833 -8.370 -5.858 1.00 49.88 C +ATOM 665 O ALA A 931 -0.457 -7.813 -6.888 1.00 48.28 O +ATOM 666 CB ALA A 931 -0.679 -10.871 -6.147 1.00 41.64 C +ATOM 667 H ALA A 931 -2.209 -9.343 -7.927 1.00 37.96 H +ATOM 668 HA ALA A 931 -2.148 -9.815 -4.984 1.00 40.37 H +ATOM 669 HB1 ALA A 931 0.013 -10.978 -5.311 1.00 41.64 H +ATOM 670 HB2 ALA A 931 -1.236 -11.805 -6.230 1.00 41.64 H +ATOM 671 HB3 ALA A 931 -0.088 -10.756 -7.057 1.00 41.64 H +ATOM 672 N LEU A 932 -0.556 -7.951 -4.616 1.00 51.32 N +ATOM 673 CA LEU A 932 0.359 -6.873 -4.254 1.00 53.72 C +ATOM 674 C LEU A 932 1.772 -7.461 -4.132 1.00 62.30 C +ATOM 675 O LEU A 932 1.943 -8.491 -3.477 1.00 63.20 O +ATOM 676 CB LEU A 932 -0.193 -6.236 -2.954 1.00 54.88 C +ATOM 677 CG LEU A 932 0.655 -5.229 -2.141 1.00 61.02 C +ATOM 678 CD1 LEU A 932 1.599 -5.901 -1.126 1.00 63.21 C +ATOM 679 CD2 LEU A 932 1.335 -4.156 -3.008 1.00 63.43 C +ATOM 680 H LEU A 932 -0.891 -8.505 -3.837 1.00 51.32 H +ATOM 681 HA LEU A 932 0.356 -6.116 -5.041 1.00 53.72 H +ATOM 682 HB3 LEU A 932 -0.532 -7.018 -2.272 1.00 54.88 H +ATOM 683 HB2 LEU A 932 -1.093 -5.711 -3.263 1.00 54.88 H +ATOM 684 HG LEU A 932 -0.067 -4.683 -1.532 1.00 61.02 H +ATOM 685 HD11 LEU A 932 2.597 -5.468 -1.140 1.00 63.21 H +ATOM 686 HD12 LEU A 932 1.219 -5.782 -0.112 1.00 63.21 H +ATOM 687 HD13 LEU A 932 1.702 -6.973 -1.292 1.00 63.21 H +ATOM 688 HD21 LEU A 932 1.353 -3.194 -2.496 1.00 63.43 H +ATOM 689 HD22 LEU A 932 2.361 -4.427 -3.248 1.00 63.43 H +ATOM 690 HD23 LEU A 932 0.808 -4.010 -3.950 1.00 63.43 H +ATOM 691 N LYS A 933 2.749 -6.804 -4.780 1.00 61.35 N +ATOM 692 CA LYS A 933 4.152 -7.228 -4.813 1.00 63.52 C +ATOM 693 C LYS A 933 4.799 -7.207 -3.412 1.00 70.14 C +ATOM 694 O LYS A 933 4.523 -6.302 -2.626 1.00 70.50 O +ATOM 695 CB LYS A 933 4.919 -6.364 -5.842 1.00 66.45 C +ATOM 696 CG LYS A 933 5.125 -4.889 -5.450 1.00 83.56 C +ATOM 697 CD LYS A 933 5.907 -4.086 -6.495 1.00 96.14 C +ATOM 698 CE LYS A 933 6.270 -2.681 -5.983 1.00107.75 C +ATOM 699 NZ LYS A 933 7.223 -2.004 -6.878 1.00116.59 N1+ +ATOM 700 H LYS A 933 2.527 -5.963 -5.293 1.00 61.35 H +ATOM 701 HA LYS A 933 4.165 -8.259 -5.173 1.00 63.52 H +ATOM 702 HB3 LYS A 933 4.416 -6.421 -6.809 1.00 66.45 H +ATOM 703 HB2 LYS A 933 5.901 -6.813 -5.996 1.00 66.45 H +ATOM 704 HG3 LYS A 933 5.681 -4.841 -4.514 1.00 83.56 H +ATOM 705 HG2 LYS A 933 4.160 -4.412 -5.271 1.00 83.56 H +ATOM 706 HD3 LYS A 933 5.308 -4.002 -7.403 1.00 96.14 H +ATOM 707 HD2 LYS A 933 6.806 -4.636 -6.774 1.00 96.14 H +ATOM 708 HE3 LYS A 933 6.732 -2.747 -4.998 1.00107.75 H +ATOM 709 HE2 LYS A 933 5.373 -2.071 -5.876 1.00107.75 H +ATOM 710 HZ1 LYS A 933 8.072 -2.553 -6.918 1.00116.59 H +ATOM 711 HZ2 LYS A 933 6.828 -1.921 -7.804 1.00116.59 H +ATOM 712 HZ3 LYS A 933 7.438 -1.086 -6.515 1.00116.59 H +ATOM 713 N ALA A 934 5.650 -8.207 -3.131 1.00 68.33 N +ATOM 714 CA ALA A 934 6.300 -8.404 -1.829 1.00 69.84 C +ATOM 715 C ALA A 934 7.272 -7.283 -1.413 1.00 75.29 C +ATOM 716 O ALA A 934 7.441 -7.058 -0.215 1.00 75.68 O +ATOM 717 CB ALA A 934 7.018 -9.762 -1.833 1.00 71.23 C +ATOM 718 H ALA A 934 5.839 -8.910 -3.830 1.00 68.33 H +ATOM 719 HA ALA A 934 5.515 -8.438 -1.074 1.00 69.84 H +ATOM 720 HB1 ALA A 934 7.459 -9.979 -0.859 1.00 71.23 H +ATOM 721 HB2 ALA A 934 6.328 -10.573 -2.064 1.00 71.23 H +ATOM 722 HB3 ALA A 934 7.819 -9.788 -2.573 1.00 71.23 H +ATOM 723 N ASP A 935 7.872 -6.600 -2.401 1.00 72.17 N +ATOM 724 CA ASP A 935 8.845 -5.516 -2.229 1.00 73.50 C +ATOM 725 C ASP A 935 8.194 -4.134 -1.982 1.00 75.83 C +ATOM 726 O ASP A 935 8.931 -3.176 -1.750 1.00 76.32 O +ATOM 727 CB ASP A 935 9.855 -5.455 -3.408 1.00 76.23 C +ATOM 728 CG ASP A 935 9.244 -5.309 -4.813 1.00 89.05 C +ATOM 729 OD1 ASP A 935 8.651 -6.297 -5.302 1.00 88.80 O +ATOM 730 OD2 ASP A 935 9.280 -4.172 -5.334 1.00 97.21 O1- +ATOM 731 H ASP A 935 7.682 -6.853 -3.362 1.00 72.17 H +ATOM 732 HA ASP A 935 9.427 -5.736 -1.333 1.00 73.50 H +ATOM 733 HB3 ASP A 935 10.428 -6.384 -3.408 1.00 76.23 H +ATOM 734 HB2 ASP A 935 10.598 -4.674 -3.236 1.00 76.23 H +ATOM 735 N ALA A 936 6.852 -4.040 -2.036 1.00 70.25 N +ATOM 736 CA ALA A 936 6.085 -2.806 -1.843 1.00 69.55 C +ATOM 737 C ALA A 936 6.243 -2.189 -0.444 1.00 73.05 C +ATOM 738 O ALA A 936 6.304 -2.919 0.546 1.00 73.05 O +ATOM 739 CB ALA A 936 4.605 -3.099 -2.103 1.00 68.72 C +ATOM 740 H ALA A 936 6.310 -4.873 -2.220 1.00 70.25 H +ATOM 741 HA ALA A 936 6.430 -2.083 -2.585 1.00 69.55 H +ATOM 742 HB1 ALA A 936 3.987 -2.220 -1.936 1.00 68.72 H +ATOM 743 HB2 ALA A 936 4.443 -3.413 -3.131 1.00 68.72 H +ATOM 744 HB3 ALA A 936 4.235 -3.882 -1.442 1.00 68.72 H +ATOM 745 N GLY A 937 6.260 -0.847 -0.403 1.00 68.94 N +ATOM 746 CA GLY A 937 6.331 -0.059 0.826 1.00 69.45 C +ATOM 747 C GLY A 937 4.930 0.139 1.439 1.00 71.44 C +ATOM 748 O GLY A 937 3.929 -0.267 0.843 1.00 69.33 O +ATOM 749 H GLY A 937 6.184 -0.331 -1.268 1.00 68.94 H +ATOM 750 HA3 GLY A 937 6.768 0.910 0.590 1.00 69.45 H +ATOM 751 HA2 GLY A 937 6.991 -0.542 1.549 1.00 69.45 H +ATOM 752 N PRO A 938 4.845 0.770 2.632 1.00 68.74 N +ATOM 753 CA PRO A 938 3.587 0.922 3.393 1.00 68.21 C +ATOM 754 C PRO A 938 2.499 1.780 2.719 1.00 71.10 C +ATOM 755 O PRO A 938 1.319 1.548 2.980 1.00 70.04 O +ATOM 756 CB PRO A 938 4.044 1.513 4.737 1.00 71.88 C +ATOM 757 CG PRO A 938 5.339 2.242 4.417 1.00 77.34 C +ATOM 758 CD PRO A 938 5.975 1.354 3.354 1.00 72.04 C +ATOM 759 HA PRO A 938 3.161 -0.066 3.572 1.00 68.21 H +ATOM 760 HB3 PRO A 938 4.246 0.701 5.437 1.00 71.88 H +ATOM 761 HB2 PRO A 938 3.306 2.167 5.206 1.00 71.88 H +ATOM 762 HG3 PRO A 938 5.977 2.400 5.287 1.00 77.34 H +ATOM 763 HG2 PRO A 938 5.110 3.218 3.986 1.00 77.34 H +ATOM 764 HD2 PRO A 938 6.645 1.932 2.716 1.00 72.04 H +ATOM 765 HD3 PRO A 938 6.549 0.551 3.819 1.00 72.04 H +ATOM 766 N GLN A 939 2.903 2.720 1.847 1.00 67.61 N +ATOM 767 CA GLN A 939 2.019 3.561 1.038 1.00 66.36 C +ATOM 768 C GLN A 939 1.195 2.765 0.005 1.00 68.88 C +ATOM 769 O GLN A 939 0.014 3.062 -0.170 1.00 67.37 O +ATOM 770 CB GLN A 939 2.815 4.726 0.393 1.00 68.30 C +ATOM 771 CG GLN A 939 3.851 4.385 -0.711 1.00 77.62 C +ATOM 772 CD GLN A 939 5.119 3.670 -0.226 1.00 79.26 C +ATOM 773 OE1 GLN A 939 5.527 3.807 0.925 1.00 70.91 O +ATOM 774 NE2 GLN A 939 5.766 2.917 -1.116 1.00 67.19 N +ATOM 775 H GLN A 939 3.893 2.869 1.705 1.00 67.61 H +ATOM 776 HA GLN A 939 1.304 4.014 1.728 1.00 66.36 H +ATOM 777 HB3 GLN A 939 3.296 5.310 1.179 1.00 68.30 H +ATOM 778 HB2 GLN A 939 2.091 5.410 -0.052 1.00 68.30 H +ATOM 779 HG3 GLN A 939 4.179 5.317 -1.173 1.00 77.62 H +ATOM 780 HG2 GLN A 939 3.387 3.812 -1.514 1.00 77.62 H +ATOM 781 HE22 GLN A 939 6.628 2.460 -0.859 1.00 67.19 H +ATOM 782 HE21 GLN A 939 5.402 2.798 -2.052 1.00 67.19 H +ATOM 783 N HIS A 940 1.817 1.751 -0.623 1.00 64.95 N +ATOM 784 CA HIS A 940 1.162 0.847 -1.570 1.00 63.06 C +ATOM 785 C HIS A 940 0.321 -0.234 -0.874 1.00 62.55 C +ATOM 786 O HIS A 940 -0.685 -0.649 -1.442 1.00 60.85 O +ATOM 787 CB HIS A 940 2.209 0.197 -2.492 1.00 64.66 C +ATOM 788 CG HIS A 940 2.900 1.139 -3.446 1.00 69.42 C +ATOM 789 ND1 HIS A 940 4.277 1.379 -3.400 1.00 71.01 N +ATOM 790 CD2 HIS A 940 2.356 1.870 -4.481 1.00 73.12 C +ATOM 791 CE1 HIS A 940 4.507 2.230 -4.392 1.00 71.34 C +ATOM 792 NE2 HIS A 940 3.404 2.558 -5.065 1.00 72.94 N +ATOM 793 H HIS A 940 2.784 1.551 -0.412 1.00 64.95 H +ATOM 794 HA HIS A 940 0.479 1.428 -2.192 1.00 63.06 H +ATOM 795 HB3 HIS A 940 1.751 -0.593 -3.090 1.00 64.66 H +ATOM 796 HB2 HIS A 940 2.971 -0.282 -1.879 1.00 64.66 H +ATOM 797 HD2 HIS A 940 1.342 1.954 -4.844 1.00 73.12 H +ATOM 798 HE1 HIS A 940 5.487 2.619 -4.630 1.00 71.34 H +ATOM 799 HE2 HIS A 940 3.347 3.185 -5.856 1.00 72.94 H +ATOM 800 N ARG A 941 0.732 -0.659 0.333 1.00 57.11 N +ATOM 801 CA ARG A 941 0.034 -1.659 1.146 1.00 55.94 C +ATOM 802 C ARG A 941 -1.263 -1.121 1.771 1.00 58.15 C +ATOM 803 O ARG A 941 -2.238 -1.867 1.836 1.00 56.90 O +ATOM 804 CB ARG A 941 0.981 -2.187 2.237 1.00 56.27 C +ATOM 805 CG ARG A 941 2.137 -3.027 1.674 1.00 60.46 C +ATOM 806 CD ARG A 941 3.199 -3.354 2.732 1.00 68.18 C +ATOM 807 NE ARG A 941 4.149 -4.361 2.238 1.00 73.45 N +ATOM 808 CZ ARG A 941 4.008 -5.697 2.297 1.00 81.37 C +ATOM 809 NH1 ARG A 941 2.956 -6.282 2.891 1.00 62.04 N +ATOM 810 NH2 ARG A 941 4.946 -6.471 1.739 1.00 66.65 N1+ +ATOM 811 H ARG A 941 1.580 -0.276 0.726 1.00 57.11 H +ATOM 812 HA ARG A 941 -0.238 -2.497 0.500 1.00 55.94 H +ATOM 813 HB3 ARG A 941 0.424 -2.817 2.932 1.00 56.27 H +ATOM 814 HB2 ARG A 941 1.367 -1.356 2.827 1.00 56.27 H +ATOM 815 HG3 ARG A 941 2.620 -2.431 0.902 1.00 60.46 H +ATOM 816 HG2 ARG A 941 1.778 -3.920 1.164 1.00 60.46 H +ATOM 817 HD3 ARG A 941 2.776 -3.581 3.711 1.00 68.18 H +ATOM 818 HD2 ARG A 941 3.816 -2.466 2.872 1.00 68.18 H +ATOM 819 HE ARG A 941 4.953 -3.990 1.745 1.00 73.45 H +ATOM 820 HH12 ARG A 941 2.887 -7.292 2.919 1.00 62.04 H +ATOM 821 HH11 ARG A 941 2.241 -5.720 3.327 1.00 62.04 H +ATOM 822 HH22 ARG A 941 4.851 -7.477 1.775 1.00 66.65 H +ATOM 823 HH21 ARG A 941 5.749 -6.068 1.274 1.00 66.65 H +ATOM 824 N SER A 942 -1.262 0.153 2.201 1.00 54.55 N +ATOM 825 CA SER A 942 -2.440 0.844 2.733 1.00 53.96 C +ATOM 826 C SER A 942 -3.493 1.160 1.652 1.00 53.99 C +ATOM 827 O SER A 942 -4.686 1.093 1.946 1.00 53.04 O +ATOM 828 CB SER A 942 -1.995 2.093 3.524 1.00 59.58 C +ATOM 829 OG SER A 942 -1.468 3.111 2.696 1.00 72.10 O +ATOM 830 H SER A 942 -0.413 0.698 2.142 1.00 54.55 H +ATOM 831 HA SER A 942 -2.912 0.168 3.449 1.00 53.96 H +ATOM 832 HB3 SER A 942 -1.251 1.825 4.275 1.00 59.58 H +ATOM 833 HB2 SER A 942 -2.846 2.508 4.066 1.00 59.58 H +ATOM 834 HG SER A 942 -0.574 2.867 2.441 1.00 72.10 H +ATOM 835 N GLY A 943 -3.037 1.449 0.420 1.00 48.43 N +ATOM 836 CA GLY A 943 -3.903 1.679 -0.734 1.00 46.49 C +ATOM 837 C GLY A 943 -4.426 0.355 -1.311 1.00 48.75 C +ATOM 838 O GLY A 943 -5.539 0.329 -1.834 1.00 47.89 O +ATOM 839 H GLY A 943 -2.040 1.497 0.262 1.00 48.43 H +ATOM 840 HA3 GLY A 943 -3.328 2.200 -1.498 1.00 46.49 H +ATOM 841 HA2 GLY A 943 -4.739 2.327 -0.465 1.00 46.49 H +ATOM 842 N TRP A 944 -3.649 -0.738 -1.204 1.00 44.46 N +ATOM 843 CA TRP A 944 -4.034 -2.085 -1.626 1.00 42.89 C +ATOM 844 C TRP A 944 -5.178 -2.677 -0.789 1.00 46.22 C +ATOM 845 O TRP A 944 -6.101 -3.253 -1.364 1.00 45.15 O +ATOM 846 CB TRP A 944 -2.800 -3.006 -1.640 1.00 42.12 C +ATOM 847 CG TRP A 944 -3.082 -4.464 -1.833 1.00 42.65 C +ATOM 848 CD1 TRP A 944 -2.880 -5.436 -0.915 1.00 46.33 C +ATOM 849 CD2 TRP A 944 -3.685 -5.118 -2.988 1.00 41.21 C +ATOM 850 NE1 TRP A 944 -3.277 -6.647 -1.438 1.00 45.34 N +ATOM 851 CE2 TRP A 944 -3.781 -6.514 -2.714 1.00 45.67 C +ATOM 852 CE3 TRP A 944 -4.164 -4.673 -4.242 1.00 41.70 C +ATOM 853 CZ2 TRP A 944 -4.300 -7.428 -3.645 1.00 44.10 C +ATOM 854 CZ3 TRP A 944 -4.694 -5.579 -5.179 1.00 42.27 C +ATOM 855 CH2 TRP A 944 -4.752 -6.953 -4.886 1.00 43.10 C +ATOM 856 H TRP A 944 -2.725 -0.649 -0.804 1.00 44.46 H +ATOM 857 HA TRP A 944 -4.406 -2.021 -2.650 1.00 42.89 H +ATOM 858 HB3 TRP A 944 -2.249 -2.899 -0.706 1.00 42.12 H +ATOM 859 HB2 TRP A 944 -2.119 -2.692 -2.432 1.00 42.12 H +ATOM 860 HD1 TRP A 944 -2.462 -5.275 0.068 1.00 46.33 H +ATOM 861 HE1 TRP A 944 -3.218 -7.522 -0.932 1.00 45.34 H +ATOM 862 HE3 TRP A 944 -4.124 -3.622 -4.485 1.00 41.70 H +ATOM 863 HZ2 TRP A 944 -4.349 -8.480 -3.412 1.00 44.10 H +ATOM 864 HZ3 TRP A 944 -5.056 -5.218 -6.128 1.00 42.27 H +ATOM 865 HH2 TRP A 944 -5.143 -7.642 -5.614 1.00 43.10 H +ATOM 866 N LYS A 945 -5.112 -2.490 0.541 1.00 43.92 N +ATOM 867 CA LYS A 945 -6.197 -2.824 1.465 1.00 44.34 C +ATOM 868 C LYS A 945 -7.481 -2.043 1.153 1.00 46.56 C +ATOM 869 O LYS A 945 -8.560 -2.622 1.241 1.00 45.36 O +ATOM 870 CB LYS A 945 -5.756 -2.571 2.918 1.00 49.05 C +ATOM 871 CG LYS A 945 -4.731 -3.590 3.439 1.00 67.10 C +ATOM 872 CD LYS A 945 -4.307 -3.287 4.888 1.00 82.17 C +ATOM 873 CE LYS A 945 -3.211 -4.220 5.430 1.00 95.75 C +ATOM 874 NZ LYS A 945 -1.898 -3.958 4.812 1.00106.63 N1+ +ATOM 875 H LYS A 945 -4.311 -2.021 0.940 1.00 43.92 H +ATOM 876 HA LYS A 945 -6.419 -3.887 1.346 1.00 44.34 H +ATOM 877 HB3 LYS A 945 -6.628 -2.620 3.573 1.00 49.05 H +ATOM 878 HB2 LYS A 945 -5.363 -1.557 3.015 1.00 49.05 H +ATOM 879 HG3 LYS A 945 -3.864 -3.609 2.782 1.00 67.10 H +ATOM 880 HG2 LYS A 945 -5.163 -4.591 3.392 1.00 67.10 H +ATOM 881 HD3 LYS A 945 -5.183 -3.375 5.531 1.00 82.17 H +ATOM 882 HD2 LYS A 945 -3.989 -2.247 4.969 1.00 82.17 H +ATOM 883 HE3 LYS A 945 -3.486 -5.263 5.275 1.00 95.75 H +ATOM 884 HE2 LYS A 945 -3.108 -4.075 6.506 1.00 95.75 H +ATOM 885 HZ1 LYS A 945 -1.963 -4.103 3.814 1.00106.63 H +ATOM 886 HZ2 LYS A 945 -1.628 -3.002 4.994 1.00106.63 H +ATOM 887 HZ3 LYS A 945 -1.210 -4.584 5.204 1.00106.63 H +ATOM 888 N GLN A 946 -7.334 -0.770 0.744 1.00 43.11 N +ATOM 889 CA GLN A 946 -8.443 0.097 0.367 1.00 42.59 C +ATOM 890 C GLN A 946 -9.110 -0.331 -0.958 1.00 44.21 C +ATOM 891 O GLN A 946 -10.329 -0.210 -1.043 1.00 44.62 O +ATOM 892 CB GLN A 946 -7.963 1.560 0.340 1.00 44.07 C +ATOM 893 CG GLN A 946 -9.129 2.569 0.397 1.00 72.22 C +ATOM 894 CD GLN A 946 -8.728 4.040 0.278 1.00 92.80 C +ATOM 895 OE1 GLN A 946 -9.604 4.893 0.167 1.00 86.97 O +ATOM 896 NE2 GLN A 946 -7.430 4.360 0.300 1.00 85.94 N +ATOM 897 H GLN A 946 -6.409 -0.369 0.682 1.00 43.11 H +ATOM 898 HA GLN A 946 -9.195 0.009 1.155 1.00 42.59 H +ATOM 899 HB3 GLN A 946 -7.357 1.732 -0.550 1.00 44.07 H +ATOM 900 HB2 GLN A 946 -7.311 1.735 1.197 1.00 44.07 H +ATOM 901 HG3 GLN A 946 -9.675 2.442 1.333 1.00 72.22 H +ATOM 902 HG2 GLN A 946 -9.840 2.363 -0.401 1.00 72.22 H +ATOM 903 HE22 GLN A 946 -7.135 5.320 0.215 1.00 85.94 H +ATOM 904 HE21 GLN A 946 -6.734 3.635 0.399 1.00 85.94 H +ATOM 905 N GLU A 947 -8.348 -0.879 -1.930 1.00 38.42 N +ATOM 906 CA GLU A 947 -8.906 -1.503 -3.139 1.00 36.42 C +ATOM 907 C GLU A 947 -9.780 -2.727 -2.818 1.00 41.24 C +ATOM 908 O GLU A 947 -10.874 -2.842 -3.371 1.00 41.44 O +ATOM 909 CB GLU A 947 -7.811 -1.841 -4.185 1.00 36.47 C +ATOM 910 CG GLU A 947 -8.353 -2.649 -5.399 1.00 37.83 C +ATOM 911 CD GLU A 947 -7.388 -2.932 -6.555 1.00 51.81 C +ATOM 912 OE1 GLU A 947 -6.166 -2.717 -6.403 1.00 50.51 O +ATOM 913 OE2 GLU A 947 -7.901 -3.378 -7.606 1.00 44.67 O1- +ATOM 914 H GLU A 947 -7.345 -0.929 -1.815 1.00 38.42 H +ATOM 915 HA GLU A 947 -9.563 -0.762 -3.600 1.00 36.42 H +ATOM 916 HB3 GLU A 947 -6.998 -2.389 -3.709 1.00 36.47 H +ATOM 917 HB2 GLU A 947 -7.376 -0.906 -4.536 1.00 36.47 H +ATOM 918 HG3 GLU A 947 -9.229 -2.139 -5.800 1.00 37.83 H +ATOM 919 HG2 GLU A 947 -8.698 -3.629 -5.069 1.00 37.83 H +ATOM 920 N ILE A 948 -9.276 -3.603 -1.931 1.00 37.07 N +ATOM 921 CA ILE A 948 -9.968 -4.803 -1.460 1.00 37.44 C +ATOM 922 C ILE A 948 -11.283 -4.466 -0.726 1.00 42.50 C +ATOM 923 O ILE A 948 -12.287 -5.123 -0.994 1.00 40.78 O +ATOM 924 CB ILE A 948 -9.051 -5.686 -0.556 1.00 40.85 C +ATOM 925 CG1 ILE A 948 -7.886 -6.291 -1.374 1.00 40.33 C +ATOM 926 CG2 ILE A 948 -9.790 -6.809 0.209 1.00 41.59 C +ATOM 927 CD1 ILE A 948 -6.668 -6.695 -0.528 1.00 45.34 C +ATOM 928 H ILE A 948 -8.360 -3.433 -1.536 1.00 37.07 H +ATOM 929 HA ILE A 948 -10.230 -5.388 -2.344 1.00 37.44 H +ATOM 930 HB ILE A 948 -8.605 -5.031 0.193 1.00 40.85 H +ATOM 931 HG13 ILE A 948 -7.540 -5.580 -2.125 1.00 40.33 H +ATOM 932 HG12 ILE A 948 -8.246 -7.153 -1.934 1.00 40.33 H +ATOM 933 HG21 ILE A 948 -9.101 -7.453 0.753 1.00 41.59 H +ATOM 934 HG22 ILE A 948 -10.483 -6.412 0.949 1.00 41.59 H +ATOM 935 HG23 ILE A 948 -10.359 -7.439 -0.475 1.00 41.59 H +ATOM 936 HD11 ILE A 948 -6.200 -7.595 -0.927 1.00 45.34 H +ATOM 937 HD12 ILE A 948 -5.919 -5.904 -0.531 1.00 45.34 H +ATOM 938 HD13 ILE A 948 -6.924 -6.890 0.512 1.00 45.34 H +ATOM 939 N ASP A 949 -11.262 -3.424 0.126 1.00 41.37 N +ATOM 940 CA ASP A 949 -12.435 -2.864 0.808 1.00 43.58 C +ATOM 941 C ASP A 949 -13.474 -2.292 -0.173 1.00 46.27 C +ATOM 942 O ASP A 949 -14.651 -2.616 -0.033 1.00 45.58 O +ATOM 943 CB ASP A 949 -12.087 -1.787 1.872 1.00 47.36 C +ATOM 944 CG ASP A 949 -11.141 -2.208 3.012 1.00 66.46 C +ATOM 945 OD1 ASP A 949 -11.036 -3.423 3.293 1.00 66.64 O +ATOM 946 OD2 ASP A 949 -10.620 -1.284 3.674 1.00 76.34 O1- +ATOM 947 H ASP A 949 -10.383 -2.959 0.312 1.00 41.37 H +ATOM 948 HA ASP A 949 -12.922 -3.695 1.323 1.00 43.58 H +ATOM 949 HB3 ASP A 949 -13.007 -1.429 2.337 1.00 47.36 H +ATOM 950 HB2 ASP A 949 -11.634 -0.929 1.372 1.00 47.36 H +ATOM 951 N ILE A 950 -13.024 -1.479 -1.147 1.00 42.07 N +ATOM 952 CA ILE A 950 -13.869 -0.855 -2.172 1.00 41.21 C +ATOM 953 C ILE A 950 -14.586 -1.882 -3.069 1.00 44.57 C +ATOM 954 O ILE A 950 -15.800 -1.782 -3.226 1.00 44.89 O +ATOM 955 CB ILE A 950 -13.077 0.177 -3.042 1.00 43.50 C +ATOM 956 CG1 ILE A 950 -12.782 1.451 -2.217 1.00 44.25 C +ATOM 957 CG2 ILE A 950 -13.744 0.575 -4.384 1.00 43.82 C +ATOM 958 CD1 ILE A 950 -11.746 2.391 -2.852 1.00 47.81 C +ATOM 959 H ILE A 950 -12.039 -1.252 -1.188 1.00 42.07 H +ATOM 960 HA ILE A 950 -14.650 -0.307 -1.640 1.00 41.21 H +ATOM 961 HB ILE A 950 -12.117 -0.278 -3.290 1.00 43.50 H +ATOM 962 HG13 ILE A 950 -12.448 1.192 -1.213 1.00 44.25 H +ATOM 963 HG12 ILE A 950 -13.710 1.998 -2.074 1.00 44.25 H +ATOM 964 HG21 ILE A 950 -13.173 1.340 -4.908 1.00 43.82 H +ATOM 965 HG22 ILE A 950 -13.811 -0.265 -5.075 1.00 43.82 H +ATOM 966 HG23 ILE A 950 -14.750 0.966 -4.225 1.00 43.82 H +ATOM 967 HD11 ILE A 950 -11.285 3.033 -2.102 1.00 47.81 H +ATOM 968 HD12 ILE A 950 -10.949 1.836 -3.348 1.00 47.81 H +ATOM 969 HD13 ILE A 950 -12.212 3.044 -3.590 1.00 47.81 H +ATOM 970 N LEU A 951 -13.844 -2.860 -3.612 1.00 41.27 N +ATOM 971 CA LEU A 951 -14.390 -3.889 -4.501 1.00 41.85 C +ATOM 972 C LEU A 951 -15.311 -4.898 -3.782 1.00 47.62 C +ATOM 973 O LEU A 951 -16.230 -5.416 -4.415 1.00 47.54 O +ATOM 974 CB LEU A 951 -13.222 -4.560 -5.261 1.00 41.42 C +ATOM 975 CG LEU A 951 -13.629 -5.508 -6.414 1.00 46.53 C +ATOM 976 CD1 LEU A 951 -14.442 -4.782 -7.511 1.00 46.18 C +ATOM 977 CD2 LEU A 951 -12.393 -6.227 -6.987 1.00 49.35 C +ATOM 978 H LEU A 951 -12.847 -2.893 -3.439 1.00 41.27 H +ATOM 979 HA LEU A 951 -15.014 -3.368 -5.228 1.00 41.85 H +ATOM 980 HB3 LEU A 951 -12.606 -5.108 -4.545 1.00 41.42 H +ATOM 981 HB2 LEU A 951 -12.574 -3.781 -5.670 1.00 41.42 H +ATOM 982 HG LEU A 951 -14.268 -6.292 -6.011 1.00 46.53 H +ATOM 983 HD11 LEU A 951 -14.066 -4.968 -8.516 1.00 46.18 H +ATOM 984 HD12 LEU A 951 -15.484 -5.105 -7.495 1.00 46.18 H +ATOM 985 HD13 LEU A 951 -14.438 -3.700 -7.381 1.00 46.18 H +ATOM 986 HD21 LEU A 951 -12.435 -6.350 -8.069 1.00 49.35 H +ATOM 987 HD22 LEU A 951 -11.476 -5.685 -6.762 1.00 49.35 H +ATOM 988 HD23 LEU A 951 -12.296 -7.224 -6.556 1.00 49.35 H +ATOM 989 N ARG A 952 -15.083 -5.119 -2.475 1.00 45.43 N +ATOM 990 CA ARG A 952 -15.910 -5.961 -1.608 1.00 47.25 C +ATOM 991 C ARG A 952 -17.297 -5.358 -1.297 1.00 52.09 C +ATOM 992 O ARG A 952 -18.247 -6.130 -1.161 1.00 53.68 O +ATOM 993 CB ARG A 952 -15.093 -6.319 -0.345 1.00 49.60 C +ATOM 994 CG ARG A 952 -15.848 -7.067 0.773 1.00 64.86 C +ATOM 995 CD ARG A 952 -14.945 -7.821 1.768 1.00 76.56 C +ATOM 996 NE ARG A 952 -13.891 -6.983 2.376 1.00 87.65 N +ATOM 997 CZ ARG A 952 -12.724 -7.401 2.906 1.00104.51 C +ATOM 998 NH1 ARG A 952 -12.356 -8.692 2.909 1.00 93.37 N +ATOM 999 NH2 ARG A 952 -11.896 -6.504 3.452 1.00 92.17 N1+ +ATOM 1000 H ARG A 952 -14.304 -4.656 -2.027 1.00 45.43 H +ATOM 1001 HA ARG A 952 -16.098 -6.894 -2.142 1.00 47.25 H +ATOM 1002 HB3 ARG A 952 -14.699 -5.399 0.087 1.00 49.60 H +ATOM 1003 HB2 ARG A 952 -14.228 -6.908 -0.651 1.00 49.60 H +ATOM 1004 HG3 ARG A 952 -16.424 -7.837 0.258 1.00 64.86 H +ATOM 1005 HG2 ARG A 952 -16.583 -6.447 1.288 1.00 64.86 H +ATOM 1006 HD3 ARG A 952 -14.599 -8.767 1.359 1.00 76.56 H +ATOM 1007 HD2 ARG A 952 -15.568 -8.084 2.623 1.00 76.56 H +ATOM 1008 HE ARG A 952 -14.092 -5.993 2.404 1.00 87.65 H +ATOM 1009 HH12 ARG A 952 -11.480 -8.978 3.318 1.00 93.37 H +ATOM 1010 HH11 ARG A 952 -12.954 -9.383 2.479 1.00 93.37 H +ATOM 1011 HH22 ARG A 952 -12.102 -5.512 3.427 1.00 92.17 H +ATOM 1012 HH21 ARG A 952 -11.019 -6.796 3.860 1.00 92.17 H +ATOM 1013 N THR A 953 -17.405 -4.019 -1.209 1.00 47.85 N +ATOM 1014 CA THR A 953 -18.677 -3.318 -0.985 1.00 48.24 C +ATOM 1015 C THR A 953 -19.466 -3.056 -2.288 1.00 50.96 C +ATOM 1016 O THR A 953 -20.682 -2.879 -2.203 1.00 52.21 O +ATOM 1017 CB THR A 953 -18.474 -1.956 -0.266 1.00 56.81 C +ATOM 1018 OG1 THR A 953 -17.730 -1.036 -1.044 1.00 60.06 O +ATOM 1019 CG2 THR A 953 -17.848 -2.084 1.131 1.00 56.45 C +ATOM 1020 H THR A 953 -16.589 -3.433 -1.325 1.00 47.85 H +ATOM 1021 HA THR A 953 -19.311 -3.935 -0.343 1.00 48.24 H +ATOM 1022 HB THR A 953 -19.454 -1.495 -0.125 1.00 56.81 H +ATOM 1023 HG1 THR A 953 -17.586 -0.234 -0.533 1.00 60.06 H +ATOM 1024 HG21 THR A 953 -17.701 -1.106 1.590 1.00 56.45 H +ATOM 1025 HG22 THR A 953 -18.495 -2.661 1.791 1.00 56.45 H +ATOM 1026 HG23 THR A 953 -16.885 -2.588 1.104 1.00 56.45 H +ATOM 1027 N LEU A 954 -18.797 -3.055 -3.456 1.00 45.03 N +ATOM 1028 CA LEU A 954 -19.439 -2.881 -4.761 1.00 43.59 C +ATOM 1029 C LEU A 954 -20.044 -4.203 -5.262 1.00 47.51 C +ATOM 1030 O LEU A 954 -19.404 -5.251 -5.158 1.00 46.90 O +ATOM 1031 CB LEU A 954 -18.413 -2.345 -5.784 1.00 41.91 C +ATOM 1032 CG LEU A 954 -17.940 -0.893 -5.550 1.00 44.98 C +ATOM 1033 CD1 LEU A 954 -16.671 -0.602 -6.363 1.00 43.77 C +ATOM 1034 CD2 LEU A 954 -19.028 0.159 -5.826 1.00 45.62 C +ATOM 1035 H LEU A 954 -17.797 -3.200 -3.460 1.00 45.03 H +ATOM 1036 HA LEU A 954 -20.249 -2.160 -4.656 1.00 43.59 H +ATOM 1037 HB3 LEU A 954 -18.826 -2.409 -6.793 1.00 41.91 H +ATOM 1038 HB2 LEU A 954 -17.547 -3.010 -5.781 1.00 41.91 H +ATOM 1039 HG LEU A 954 -17.682 -0.790 -4.498 1.00 44.98 H +ATOM 1040 HD11 LEU A 954 -16.360 0.436 -6.252 1.00 43.77 H +ATOM 1041 HD12 LEU A 954 -15.840 -1.224 -6.032 1.00 43.77 H +ATOM 1042 HD13 LEU A 954 -16.825 -0.798 -7.424 1.00 43.77 H +ATOM 1043 HD21 LEU A 954 -18.860 1.052 -5.225 1.00 45.62 H +ATOM 1044 HD22 LEU A 954 -19.039 0.461 -6.873 1.00 45.62 H +ATOM 1045 HD23 LEU A 954 -20.025 -0.194 -5.579 1.00 45.62 H +ATOM 1046 N TYR A 955 -21.256 -4.109 -5.829 1.00 44.63 N +ATOM 1047 CA TYR A 955 -21.980 -5.223 -6.430 1.00 45.07 C +ATOM 1048 C TYR A 955 -22.878 -4.673 -7.547 1.00 45.96 C +ATOM 1049 O TYR A 955 -23.872 -4.007 -7.256 1.00 46.41 O +ATOM 1050 CB TYR A 955 -22.763 -5.996 -5.344 1.00 49.65 C +ATOM 1051 CG TYR A 955 -23.411 -7.283 -5.828 1.00 54.91 C +ATOM 1052 CD1 TYR A 955 -22.687 -8.493 -5.779 1.00 57.41 C +ATOM 1053 CD2 TYR A 955 -24.729 -7.278 -6.332 1.00 57.57 C +ATOM 1054 CE1 TYR A 955 -23.276 -9.690 -6.230 1.00 59.75 C +ATOM 1055 CE2 TYR A 955 -25.315 -8.474 -6.792 1.00 60.10 C +ATOM 1056 CZ TYR A 955 -24.590 -9.680 -6.740 1.00 68.68 C +ATOM 1057 OH TYR A 955 -25.162 -10.838 -7.182 1.00 72.06 O +ATOM 1058 H TYR A 955 -21.730 -3.215 -5.853 1.00 44.63 H +ATOM 1059 HA TYR A 955 -21.260 -5.910 -6.880 1.00 45.07 H +ATOM 1060 HB3 TYR A 955 -23.525 -5.357 -4.895 1.00 49.65 H +ATOM 1061 HB2 TYR A 955 -22.088 -6.259 -4.528 1.00 49.65 H +ATOM 1062 HD1 TYR A 955 -21.676 -8.505 -5.398 1.00 57.41 H +ATOM 1063 HD2 TYR A 955 -25.291 -6.357 -6.374 1.00 57.57 H +ATOM 1064 HE1 TYR A 955 -22.715 -10.611 -6.186 1.00 59.75 H +ATOM 1065 HE2 TYR A 955 -26.323 -8.463 -7.181 1.00 60.10 H +ATOM 1066 HH TYR A 955 -24.592 -11.603 -7.083 1.00 72.06 H +ATOM 1067 N HIS A 956 -22.503 -4.959 -8.803 1.00 39.68 N +ATOM 1068 CA HIS A 956 -23.214 -4.526 -10.006 1.00 38.26 C +ATOM 1069 C HIS A 956 -22.881 -5.467 -11.171 1.00 41.07 C +ATOM 1070 O HIS A 956 -21.788 -6.034 -11.207 1.00 39.48 O +ATOM 1071 CB HIS A 956 -22.830 -3.065 -10.334 1.00 37.69 C +ATOM 1072 CG HIS A 956 -23.823 -2.334 -11.199 1.00 40.30 C +ATOM 1073 ND1 HIS A 956 -23.673 -2.217 -12.584 1.00 40.74 N +ATOM 1074 CD2 HIS A 956 -24.986 -1.693 -10.822 1.00 42.24 C +ATOM 1075 CE1 HIS A 956 -24.729 -1.521 -12.983 1.00 40.29 C +ATOM 1076 NE2 HIS A 956 -25.539 -1.181 -11.982 1.00 41.53 N +ATOM 1077 H HIS A 956 -21.671 -5.515 -8.961 1.00 39.68 H +ATOM 1078 HA HIS A 956 -24.285 -4.588 -9.803 1.00 38.26 H +ATOM 1079 HB3 HIS A 956 -21.848 -3.018 -10.807 1.00 37.69 H +ATOM 1080 HB2 HIS A 956 -22.740 -2.493 -9.414 1.00 37.69 H +ATOM 1081 HD2 HIS A 956 -25.444 -1.565 -9.853 1.00 42.24 H +ATOM 1082 HE1 HIS A 956 -24.911 -1.249 -14.010 1.00 40.29 H +ATOM 1083 HE2 HIS A 956 -26.396 -0.652 -12.059 1.00 41.53 H +ATOM 1084 N GLU A 957 -23.816 -5.578 -12.130 1.00 37.79 N +ATOM 1085 CA GLU A 957 -23.647 -6.353 -13.363 1.00 37.07 C +ATOM 1086 C GLU A 957 -22.575 -5.797 -14.324 1.00 38.36 C +ATOM 1087 O GLU A 957 -22.065 -6.566 -15.140 1.00 38.29 O +ATOM 1088 CB GLU A 957 -25.002 -6.521 -14.084 1.00 39.83 C +ATOM 1089 CG GLU A 957 -25.758 -5.201 -14.383 1.00 51.33 C +ATOM 1090 CD GLU A 957 -26.961 -5.326 -15.337 1.00 75.08 C +ATOM 1091 OE1 GLU A 957 -27.734 -4.343 -15.384 1.00 76.02 O +ATOM 1092 OE2 GLU A 957 -27.101 -6.369 -16.016 1.00 61.54 O1- +ATOM 1093 H GLU A 957 -24.685 -5.071 -12.043 1.00 37.79 H +ATOM 1094 HA GLU A 957 -23.310 -7.350 -13.072 1.00 37.07 H +ATOM 1095 HB3 GLU A 957 -25.643 -7.179 -13.495 1.00 39.83 H +ATOM 1096 HB2 GLU A 957 -24.817 -7.057 -15.016 1.00 39.83 H +ATOM 1097 HG3 GLU A 957 -25.074 -4.476 -14.820 1.00 51.33 H +ATOM 1098 HG2 GLU A 957 -26.103 -4.761 -13.446 1.00 51.33 H +ATOM 1099 N HIS A 958 -22.251 -4.497 -14.202 1.00 33.06 N +ATOM 1100 CA HIS A 958 -21.248 -3.795 -15.007 1.00 30.23 C +ATOM 1101 C HIS A 958 -20.035 -3.354 -14.172 1.00 34.52 C +ATOM 1102 O HIS A 958 -19.356 -2.397 -14.543 1.00 33.24 O +ATOM 1103 CB HIS A 958 -21.902 -2.634 -15.784 1.00 29.49 C +ATOM 1104 CG HIS A 958 -23.101 -3.035 -16.607 1.00 32.84 C +ATOM 1105 ND1 HIS A 958 -23.102 -4.140 -17.441 1.00 34.50 N +ATOM 1106 CD2 HIS A 958 -24.371 -2.512 -16.690 1.00 35.61 C +ATOM 1107 CE1 HIS A 958 -24.330 -4.251 -17.949 1.00 34.74 C +ATOM 1108 NE2 HIS A 958 -25.150 -3.291 -17.543 1.00 35.88 N +ATOM 1109 H HIS A 958 -22.732 -3.932 -13.515 1.00 33.06 H +ATOM 1110 HA HIS A 958 -20.843 -4.487 -15.744 1.00 30.23 H +ATOM 1111 HB3 HIS A 958 -21.173 -2.190 -16.463 1.00 29.49 H +ATOM 1112 HB2 HIS A 958 -22.209 -1.845 -15.097 1.00 29.49 H +ATOM 1113 HD1 HIS A 958 -22.316 -4.751 -17.619 1.00 34.50 H +ATOM 1114 HD2 HIS A 958 -24.792 -1.657 -16.189 1.00 35.61 H +ATOM 1115 HE1 HIS A 958 -24.629 -5.033 -18.632 1.00 34.74 H +ATOM 1116 N ILE A 959 -19.748 -4.104 -13.099 1.00 33.55 N +ATOM 1117 CA ILE A 959 -18.501 -4.070 -12.338 1.00 33.44 C +ATOM 1118 C ILE A 959 -18.043 -5.531 -12.151 1.00 38.25 C +ATOM 1119 O ILE A 959 -18.890 -6.408 -11.969 1.00 38.75 O +ATOM 1120 CB ILE A 959 -18.682 -3.354 -10.957 1.00 37.20 C +ATOM 1121 CG1 ILE A 959 -18.889 -1.832 -11.169 1.00 36.98 C +ATOM 1122 CG2 ILE A 959 -17.533 -3.599 -9.952 1.00 38.30 C +ATOM 1123 CD1 ILE A 959 -19.214 -1.037 -9.897 1.00 43.20 C +ATOM 1124 H ILE A 959 -20.370 -4.864 -12.857 1.00 33.55 H +ATOM 1125 HA ILE A 959 -17.735 -3.550 -12.912 1.00 33.44 H +ATOM 1126 HB ILE A 959 -19.591 -3.744 -10.497 1.00 37.20 H +ATOM 1127 HG13 ILE A 959 -19.697 -1.658 -11.879 1.00 36.98 H +ATOM 1128 HG12 ILE A 959 -17.996 -1.407 -11.627 1.00 36.98 H +ATOM 1129 HG21 ILE A 959 -17.652 -3.020 -9.037 1.00 38.30 H +ATOM 1130 HG22 ILE A 959 -17.485 -4.639 -9.634 1.00 38.30 H +ATOM 1131 HG23 ILE A 959 -16.569 -3.339 -10.386 1.00 38.30 H +ATOM 1132 HD11 ILE A 959 -19.708 -0.099 -10.152 1.00 43.20 H +ATOM 1133 HD12 ILE A 959 -19.873 -1.596 -9.232 1.00 43.20 H +ATOM 1134 HD13 ILE A 959 -18.310 -0.782 -9.345 1.00 43.20 H +ATOM 1135 N ILE A 960 -16.718 -5.772 -12.203 1.00 34.04 N +ATOM 1136 CA ILE A 960 -16.106 -7.087 -11.974 1.00 34.30 C +ATOM 1137 C ILE A 960 -16.407 -7.597 -10.547 1.00 39.83 C +ATOM 1138 O ILE A 960 -16.175 -6.875 -9.576 1.00 39.81 O +ATOM 1139 CB ILE A 960 -14.565 -7.080 -12.229 1.00 35.69 C +ATOM 1140 CG1 ILE A 960 -13.989 -8.518 -12.265 1.00 36.05 C +ATOM 1141 CG2 ILE A 960 -13.760 -6.195 -11.249 1.00 35.48 C +ATOM 1142 CD1 ILE A 960 -12.573 -8.639 -12.854 1.00 37.96 C +ATOM 1143 H ILE A 960 -16.078 -5.006 -12.373 1.00 34.04 H +ATOM 1144 HA ILE A 960 -16.564 -7.769 -12.694 1.00 34.30 H +ATOM 1145 HB ILE A 960 -14.426 -6.656 -13.225 1.00 35.69 H +ATOM 1146 HG13 ILE A 960 -14.651 -9.150 -12.857 1.00 36.05 H +ATOM 1147 HG12 ILE A 960 -13.996 -8.948 -11.263 1.00 36.05 H +ATOM 1148 HG21 ILE A 960 -12.740 -6.036 -11.596 1.00 35.48 H +ATOM 1149 HG22 ILE A 960 -14.216 -5.213 -11.131 1.00 35.48 H +ATOM 1150 HG23 ILE A 960 -13.684 -6.649 -10.261 1.00 35.48 H +ATOM 1151 HD11 ILE A 960 -11.939 -9.262 -12.223 1.00 37.96 H +ATOM 1152 HD12 ILE A 960 -12.601 -9.102 -13.839 1.00 37.96 H +ATOM 1153 HD13 ILE A 960 -12.075 -7.677 -12.968 1.00 37.96 H +ATOM 1154 N LYS A 961 -16.985 -8.803 -10.455 1.00 38.47 N +ATOM 1155 CA LYS A 961 -17.509 -9.333 -9.201 1.00 40.15 C +ATOM 1156 C LYS A 961 -16.382 -9.868 -8.306 1.00 44.21 C +ATOM 1157 O LYS A 961 -15.551 -10.659 -8.757 1.00 42.58 O +ATOM 1158 CB LYS A 961 -18.572 -10.415 -9.475 1.00 43.99 C +ATOM 1159 CG LYS A 961 -19.529 -10.613 -8.282 1.00 65.82 C +ATOM 1160 CD LYS A 961 -20.373 -11.892 -8.363 1.00 82.27 C +ATOM 1161 CE LYS A 961 -19.586 -13.144 -7.940 1.00 98.09 C +ATOM 1162 NZ LYS A 961 -20.437 -14.346 -7.953 1.00108.33 N1+ +ATOM 1163 H LYS A 961 -17.162 -9.351 -11.289 1.00 38.47 H +ATOM 1164 HA LYS A 961 -18.007 -8.515 -8.676 1.00 40.15 H +ATOM 1165 HB3 LYS A 961 -18.087 -11.350 -9.755 1.00 43.99 H +ATOM 1166 HB2 LYS A 961 -19.180 -10.126 -10.333 1.00 43.99 H +ATOM 1167 HG3 LYS A 961 -20.200 -9.754 -8.235 1.00 65.82 H +ATOM 1168 HG2 LYS A 961 -18.984 -10.607 -7.338 1.00 65.82 H +ATOM 1169 HD3 LYS A 961 -20.744 -12.013 -9.382 1.00 82.27 H +ATOM 1170 HD2 LYS A 961 -21.255 -11.771 -7.732 1.00 82.27 H +ATOM 1171 HE3 LYS A 961 -19.189 -13.016 -6.932 1.00 98.09 H +ATOM 1172 HE2 LYS A 961 -18.734 -13.309 -8.600 1.00 98.09 H +ATOM 1173 HZ1 LYS A 961 -20.781 -14.504 -8.890 1.00108.33 H +ATOM 1174 HZ2 LYS A 961 -19.898 -15.146 -7.651 1.00108.33 H +ATOM 1175 HZ3 LYS A 961 -21.218 -14.215 -7.326 1.00108.33 H +ATOM 1176 N TYR A 962 -16.429 -9.442 -7.036 1.00 42.43 N +ATOM 1177 CA TYR A 962 -15.611 -9.940 -5.938 1.00 43.53 C +ATOM 1178 C TYR A 962 -16.005 -11.389 -5.596 1.00 47.09 C +ATOM 1179 O TYR A 962 -17.144 -11.624 -5.191 1.00 48.07 O +ATOM 1180 CB TYR A 962 -15.810 -8.977 -4.746 1.00 46.00 C +ATOM 1181 CG TYR A 962 -15.059 -9.322 -3.474 1.00 48.99 C +ATOM 1182 CD1 TYR A 962 -13.701 -8.970 -3.344 1.00 50.72 C +ATOM 1183 CD2 TYR A 962 -15.717 -9.979 -2.412 1.00 51.43 C +ATOM 1184 CE1 TYR A 962 -12.998 -9.289 -2.166 1.00 52.08 C +ATOM 1185 CE2 TYR A 962 -15.015 -10.294 -1.234 1.00 53.15 C +ATOM 1186 CZ TYR A 962 -13.652 -9.960 -1.116 1.00 59.98 C +ATOM 1187 OH TYR A 962 -12.962 -10.301 0.010 1.00 63.78 O +ATOM 1188 H TYR A 962 -17.143 -8.777 -6.774 1.00 42.43 H +ATOM 1189 HA TYR A 962 -14.563 -9.908 -6.243 1.00 43.53 H +ATOM 1190 HB3 TYR A 962 -16.872 -8.900 -4.504 1.00 46.00 H +ATOM 1191 HB2 TYR A 962 -15.510 -7.972 -5.043 1.00 46.00 H +ATOM 1192 HD1 TYR A 962 -13.200 -8.455 -4.150 1.00 50.72 H +ATOM 1193 HD2 TYR A 962 -16.759 -10.248 -2.503 1.00 51.43 H +ATOM 1194 HE1 TYR A 962 -11.956 -9.026 -2.073 1.00 52.08 H +ATOM 1195 HE2 TYR A 962 -15.520 -10.808 -0.429 1.00 53.15 H +ATOM 1196 HH TYR A 962 -12.022 -10.110 -0.061 1.00 63.78 H +ATOM 1197 N LYS A 963 -15.059 -12.325 -5.770 1.00 42.37 N +ATOM 1198 CA LYS A 963 -15.207 -13.725 -5.363 1.00 42.56 C +ATOM 1199 C LYS A 963 -14.896 -13.911 -3.868 1.00 48.47 C +ATOM 1200 O LYS A 963 -15.621 -14.644 -3.197 1.00 50.00 O +ATOM 1201 CB LYS A 963 -14.278 -14.612 -6.217 1.00 43.06 C +ATOM 1202 CG LYS A 963 -14.768 -14.924 -7.643 1.00 48.30 C +ATOM 1203 CD LYS A 963 -15.649 -16.181 -7.740 1.00 61.25 C +ATOM 1204 CE LYS A 963 -15.981 -16.553 -9.198 1.00 72.82 C +ATOM 1205 NZ LYS A 963 -16.609 -17.883 -9.309 1.00 84.70 N1+ +ATOM 1206 H LYS A 963 -14.147 -12.057 -6.113 1.00 42.37 H +ATOM 1207 HA LYS A 963 -16.237 -14.042 -5.537 1.00 42.56 H +ATOM 1208 HB3 LYS A 963 -14.089 -15.559 -5.714 1.00 43.06 H +ATOM 1209 HB2 LYS A 963 -13.307 -14.128 -6.275 1.00 43.06 H +ATOM 1210 HG3 LYS A 963 -13.891 -15.082 -8.269 1.00 48.30 H +ATOM 1211 HG2 LYS A 963 -15.290 -14.063 -8.063 1.00 48.30 H +ATOM 1212 HD3 LYS A 963 -16.571 -16.021 -7.177 1.00 61.25 H +ATOM 1213 HD2 LYS A 963 -15.134 -17.013 -7.256 1.00 61.25 H +ATOM 1214 HE3 LYS A 963 -15.072 -16.570 -9.801 1.00 72.82 H +ATOM 1215 HE2 LYS A 963 -16.637 -15.803 -9.640 1.00 72.82 H +ATOM 1216 HZ1 LYS A 963 -17.477 -17.900 -8.792 1.00 84.70 H +ATOM 1217 HZ2 LYS A 963 -16.794 -18.093 -10.280 1.00 84.70 H +ATOM 1218 HZ3 LYS A 963 -15.985 -18.585 -8.937 1.00 84.70 H +ATOM 1219 N GLY A 964 -13.829 -13.257 -3.383 1.00 44.37 N +ATOM 1220 CA GLY A 964 -13.323 -13.424 -2.026 1.00 45.35 C +ATOM 1221 C GLY A 964 -11.877 -12.921 -1.975 1.00 49.58 C +ATOM 1222 O GLY A 964 -11.437 -12.154 -2.833 1.00 45.71 O +ATOM 1223 H GLY A 964 -13.284 -12.662 -3.993 1.00 44.37 H +ATOM 1224 HA3 GLY A 964 -13.347 -14.476 -1.735 1.00 45.35 H +ATOM 1225 HA2 GLY A 964 -13.938 -12.872 -1.317 1.00 45.35 H +ATOM 1226 N CYS A 965 -11.142 -13.354 -0.942 1.00 49.54 N +ATOM 1227 CA CYS A 965 -9.711 -13.102 -0.775 1.00 51.02 C +ATOM 1228 C CYS A 965 -8.996 -14.422 -0.467 1.00 57.60 C +ATOM 1229 O CYS A 965 -9.612 -15.356 0.041 1.00 57.77 O +ATOM 1230 CB CYS A 965 -9.422 -12.067 0.332 1.00 52.68 C +ATOM 1231 SG CYS A 965 -9.636 -10.386 -0.310 1.00 55.96 S +ATOM 1232 H CYS A 965 -11.563 -13.968 -0.256 1.00 49.54 H +ATOM 1233 HA CYS A 965 -9.296 -12.746 -1.718 1.00 51.02 H +ATOM 1234 HB3 CYS A 965 -8.392 -12.140 0.685 1.00 52.68 H +ATOM 1235 HB2 CYS A 965 -10.067 -12.220 1.198 1.00 52.68 H +ATOM 1236 HG CYS A 965 -8.583 -10.420 -1.134 1.00 55.96 H +ATOM 1237 N CYS A 966 -7.692 -14.456 -0.772 1.00 56.83 N +ATOM 1238 CA CYS A 966 -6.805 -15.580 -0.502 1.00 59.37 C +ATOM 1239 C CYS A 966 -5.683 -15.108 0.432 1.00 64.61 C +ATOM 1240 O CYS A 966 -5.062 -14.082 0.156 1.00 62.66 O +ATOM 1241 CB CYS A 966 -6.272 -16.191 -1.819 1.00 59.95 C +ATOM 1242 SG CYS A 966 -5.029 -17.485 -1.550 1.00 65.77 S +ATOM 1243 H CYS A 966 -7.258 -13.640 -1.184 1.00 56.83 H +ATOM 1244 HA CYS A 966 -7.354 -16.357 0.027 1.00 59.37 H +ATOM 1245 HB3 CYS A 966 -5.831 -15.424 -2.450 1.00 59.95 H +ATOM 1246 HB2 CYS A 966 -7.087 -16.620 -2.398 1.00 59.95 H +ATOM 1247 HG CYS A 966 -5.857 -18.345 -0.948 1.00 65.77 H +ATOM 1248 N GLU A 967 -5.426 -15.892 1.494 1.00 64.28 N +ATOM 1249 CA GLU A 967 -4.283 -15.721 2.391 1.00 65.86 C +ATOM 1250 C GLU A 967 -2.975 -15.999 1.629 1.00 70.57 C +ATOM 1251 O GLU A 967 -2.751 -17.136 1.211 1.00 70.73 O +ATOM 1252 CB GLU A 967 -4.428 -16.676 3.598 1.00 69.10 C +ATOM 1253 CG GLU A 967 -3.295 -16.538 4.658 1.00 81.26 C +ATOM 1254 CD GLU A 967 -2.826 -17.831 5.353 1.00 98.19 C +ATOM 1255 OE1 GLU A 967 -1.801 -17.730 6.063 1.00 78.88 O +ATOM 1256 OE2 GLU A 967 -3.464 -18.894 5.180 1.00 93.22 O1- +ATOM 1257 H GLU A 967 -5.982 -16.721 1.646 1.00 64.28 H +ATOM 1258 HA GLU A 967 -4.283 -14.692 2.759 1.00 65.86 H +ATOM 1259 HB3 GLU A 967 -4.499 -17.693 3.209 1.00 69.10 H +ATOM 1260 HB2 GLU A 967 -5.384 -16.491 4.089 1.00 69.10 H +ATOM 1261 HG3 GLU A 967 -3.630 -15.847 5.432 1.00 81.26 H +ATOM 1262 HG2 GLU A 967 -2.410 -16.068 4.229 1.00 81.26 H +ATOM 1263 N ASP A 968 -2.144 -14.957 1.484 1.00 66.99 N +ATOM 1264 CA ASP A 968 -0.817 -15.059 0.892 1.00 67.07 C +ATOM 1265 C ASP A 968 0.184 -15.081 2.058 1.00 72.70 C +ATOM 1266 O ASP A 968 0.386 -14.057 2.713 1.00 72.95 O +ATOM 1267 CB ASP A 968 -0.559 -13.895 -0.103 1.00 67.90 C +ATOM 1268 CG ASP A 968 0.534 -14.114 -1.165 1.00 83.41 C +ATOM 1269 OD1 ASP A 968 1.215 -15.164 -1.136 1.00 85.94 O +ATOM 1270 OD2 ASP A 968 0.685 -13.199 -2.003 1.00 90.83 O1- +ATOM 1271 H ASP A 968 -2.392 -14.050 1.856 1.00 66.99 H +ATOM 1272 HA ASP A 968 -0.740 -16.001 0.345 1.00 67.07 H +ATOM 1273 HB3 ASP A 968 -0.315 -12.979 0.435 1.00 67.90 H +ATOM 1274 HB2 ASP A 968 -1.495 -13.671 -0.612 1.00 67.90 H +ATOM 1275 N ALA A 969 0.771 -16.267 2.298 1.00 69.93 N +ATOM 1276 CA ALA A 969 1.805 -16.494 3.312 1.00 70.98 C +ATOM 1277 C ALA A 969 3.136 -15.798 2.970 1.00 74.28 C +ATOM 1278 O ALA A 969 3.801 -15.299 3.878 1.00 74.55 O +ATOM 1279 CB ALA A 969 2.001 -18.004 3.502 1.00 72.54 C +ATOM 1280 H ALA A 969 0.522 -17.064 1.732 1.00 69.93 H +ATOM 1281 HA ALA A 969 1.445 -16.080 4.256 1.00 70.98 H +ATOM 1282 HB1 ALA A 969 2.755 -18.212 4.263 1.00 72.54 H +ATOM 1283 HB2 ALA A 969 1.074 -18.479 3.825 1.00 72.54 H +ATOM 1284 HB3 ALA A 969 2.319 -18.488 2.577 1.00 72.54 H +ATOM 1285 N GLY A 970 3.456 -15.719 1.666 1.00 69.45 N +ATOM 1286 CA GLY A 970 4.487 -14.836 1.124 1.00 69.02 C +ATOM 1287 C GLY A 970 3.896 -13.424 0.996 1.00 72.14 C +ATOM 1288 O GLY A 970 2.683 -13.260 0.898 1.00 71.87 O +ATOM 1289 H GLY A 970 2.832 -16.139 0.991 1.00 69.45 H +ATOM 1290 HA3 GLY A 970 4.783 -15.193 0.138 1.00 69.02 H +ATOM 1291 HA2 GLY A 970 5.376 -14.832 1.758 1.00 69.02 H +ATOM 1292 N ALA A 971 4.755 -12.392 1.022 1.00 67.87 N +ATOM 1293 CA ALA A 971 4.402 -10.963 0.976 1.00 66.36 C +ATOM 1294 C ALA A 971 3.646 -10.418 2.210 1.00 68.68 C +ATOM 1295 O ALA A 971 3.609 -9.200 2.357 1.00 67.93 O +ATOM 1296 CB ALA A 971 3.638 -10.614 -0.322 1.00 65.39 C +ATOM 1297 H ALA A 971 5.742 -12.588 1.108 1.00 67.87 H +ATOM 1298 HA ALA A 971 5.355 -10.434 0.945 1.00 66.36 H +ATOM 1299 HB1 ALA A 971 3.530 -9.535 -0.440 1.00 65.39 H +ATOM 1300 HB2 ALA A 971 4.163 -10.985 -1.202 1.00 65.39 H +ATOM 1301 HB3 ALA A 971 2.632 -11.034 -0.341 1.00 65.39 H +ATOM 1302 N ALA A 972 3.073 -11.288 3.066 1.00 64.62 N +ATOM 1303 CA ALA A 972 2.295 -10.978 4.273 1.00 64.42 C +ATOM 1304 C ALA A 972 1.103 -10.044 3.981 1.00 65.37 C +ATOM 1305 O ALA A 972 1.060 -8.918 4.481 1.00 65.17 O +ATOM 1306 CB ALA A 972 3.226 -10.439 5.378 1.00 66.93 C +ATOM 1307 H ALA A 972 3.135 -12.273 2.846 1.00 64.62 H +ATOM 1308 HA ALA A 972 1.877 -11.923 4.622 1.00 64.42 H +ATOM 1309 HB1 ALA A 972 2.680 -10.272 6.307 1.00 66.93 H +ATOM 1310 HB2 ALA A 972 4.023 -11.151 5.596 1.00 66.93 H +ATOM 1311 HB3 ALA A 972 3.695 -9.496 5.096 1.00 66.93 H +ATOM 1312 N SER A 973 0.185 -10.520 3.126 1.00 59.44 N +ATOM 1313 CA SER A 973 -0.931 -9.739 2.590 1.00 57.90 C +ATOM 1314 C SER A 973 -2.074 -10.654 2.116 1.00 59.01 C +ATOM 1315 O SER A 973 -1.920 -11.875 2.084 1.00 59.49 O +ATOM 1316 CB SER A 973 -0.402 -8.797 1.477 1.00 60.76 C +ATOM 1317 OG SER A 973 0.029 -9.507 0.331 1.00 68.97 O +ATOM 1318 H SER A 973 0.269 -11.464 2.772 1.00 59.44 H +ATOM 1319 HA SER A 973 -1.338 -9.129 3.398 1.00 57.90 H +ATOM 1320 HB3 SER A 973 0.422 -8.181 1.838 1.00 60.76 H +ATOM 1321 HB2 SER A 973 -1.185 -8.104 1.166 1.00 60.76 H +ATOM 1322 HG SER A 973 0.797 -10.034 0.570 1.00 68.97 H +ATOM 1323 N LEU A 974 -3.203 -10.032 1.742 1.00 52.28 N +ATOM 1324 CA LEU A 974 -4.301 -10.696 1.040 1.00 50.34 C +ATOM 1325 C LEU A 974 -4.107 -10.531 -0.470 1.00 50.70 C +ATOM 1326 O LEU A 974 -3.777 -9.435 -0.921 1.00 49.90 O +ATOM 1327 CB LEU A 974 -5.651 -10.057 1.441 1.00 50.33 C +ATOM 1328 CG LEU A 974 -6.130 -10.387 2.870 1.00 55.89 C +ATOM 1329 CD1 LEU A 974 -7.386 -9.562 3.226 1.00 55.99 C +ATOM 1330 CD2 LEU A 974 -6.346 -11.902 3.083 1.00 57.89 C +ATOM 1331 H LEU A 974 -3.268 -9.027 1.809 1.00 52.28 H +ATOM 1332 HA LEU A 974 -4.315 -11.760 1.277 1.00 50.34 H +ATOM 1333 HB3 LEU A 974 -6.428 -10.379 0.745 1.00 50.33 H +ATOM 1334 HB2 LEU A 974 -5.579 -8.975 1.321 1.00 50.33 H +ATOM 1335 HG LEU A 974 -5.344 -10.071 3.558 1.00 55.89 H +ATOM 1336 HD11 LEU A 974 -7.235 -9.008 4.153 1.00 55.99 H +ATOM 1337 HD12 LEU A 974 -7.631 -8.832 2.454 1.00 55.99 H +ATOM 1338 HD13 LEU A 974 -8.273 -10.181 3.360 1.00 55.99 H +ATOM 1339 HD21 LEU A 974 -7.269 -12.127 3.616 1.00 57.89 H +ATOM 1340 HD22 LEU A 974 -6.384 -12.448 2.140 1.00 57.89 H +ATOM 1341 HD23 LEU A 974 -5.531 -12.327 3.669 1.00 57.89 H +ATOM 1342 N GLN A 975 -4.397 -11.600 -1.221 1.00 44.54 N +ATOM 1343 CA GLN A 975 -4.655 -11.543 -2.657 1.00 42.17 C +ATOM 1344 C GLN A 975 -6.158 -11.326 -2.883 1.00 43.56 C +ATOM 1345 O GLN A 975 -6.970 -11.925 -2.179 1.00 42.93 O +ATOM 1346 CB GLN A 975 -4.189 -12.848 -3.318 1.00 43.83 C +ATOM 1347 CG GLN A 975 -2.664 -12.968 -3.441 1.00 59.19 C +ATOM 1348 CD GLN A 975 -2.250 -14.348 -3.952 1.00 77.91 C +ATOM 1349 OE1 GLN A 975 -1.887 -14.506 -5.115 1.00 74.64 O +ATOM 1350 NE2 GLN A 975 -2.322 -15.360 -3.083 1.00 71.32 N +ATOM 1351 H GLN A 975 -4.644 -12.471 -0.766 1.00 44.54 H +ATOM 1352 HA GLN A 975 -4.103 -10.718 -3.108 1.00 42.17 H +ATOM 1353 HB3 GLN A 975 -4.619 -12.914 -4.315 1.00 43.83 H +ATOM 1354 HB2 GLN A 975 -4.585 -13.690 -2.755 1.00 43.83 H +ATOM 1355 HG3 GLN A 975 -2.188 -12.782 -2.481 1.00 59.19 H +ATOM 1356 HG2 GLN A 975 -2.285 -12.203 -4.117 1.00 59.19 H +ATOM 1357 HE22 GLN A 975 -2.093 -16.297 -3.376 1.00 71.32 H +ATOM 1358 HE21 GLN A 975 -2.625 -15.197 -2.133 1.00 71.32 H +ATOM 1359 N LEU A 976 -6.491 -10.482 -3.867 1.00 37.72 N +ATOM 1360 CA LEU A 976 -7.852 -10.128 -4.254 1.00 36.76 C +ATOM 1361 C LEU A 976 -8.329 -11.092 -5.349 1.00 38.66 C +ATOM 1362 O LEU A 976 -7.954 -10.920 -6.510 1.00 37.25 O +ATOM 1363 CB LEU A 976 -7.834 -8.653 -4.716 1.00 36.56 C +ATOM 1364 CG LEU A 976 -9.166 -8.061 -5.224 1.00 41.61 C +ATOM 1365 CD1 LEU A 976 -10.299 -8.193 -4.189 1.00 43.42 C +ATOM 1366 CD2 LEU A 976 -8.963 -6.603 -5.692 1.00 42.85 C +ATOM 1367 H LEU A 976 -5.756 -10.081 -4.436 1.00 37.72 H +ATOM 1368 HA LEU A 976 -8.514 -10.217 -3.390 1.00 36.76 H +ATOM 1369 HB3 LEU A 976 -7.107 -8.557 -5.519 1.00 36.56 H +ATOM 1370 HB2 LEU A 976 -7.456 -8.034 -3.902 1.00 36.56 H +ATOM 1371 HG LEU A 976 -9.473 -8.622 -6.106 1.00 41.61 H +ATOM 1372 HD11 LEU A 976 -10.947 -7.318 -4.156 1.00 43.42 H +ATOM 1373 HD12 LEU A 976 -10.926 -9.051 -4.432 1.00 43.42 H +ATOM 1374 HD13 LEU A 976 -9.915 -8.345 -3.181 1.00 43.42 H +ATOM 1375 HD21 LEU A 976 -9.584 -5.894 -5.144 1.00 42.85 H +ATOM 1376 HD22 LEU A 976 -7.931 -6.271 -5.572 1.00 42.85 H +ATOM 1377 HD23 LEU A 976 -9.206 -6.499 -6.750 1.00 42.85 H +ATOM 1378 N VAL A 977 -9.138 -12.089 -4.958 1.00 35.03 N +ATOM 1379 CA VAL A 977 -9.724 -13.057 -5.883 1.00 34.91 C +ATOM 1380 C VAL A 977 -10.996 -12.446 -6.501 1.00 38.85 C +ATOM 1381 O VAL A 977 -11.900 -12.026 -5.777 1.00 39.08 O +ATOM 1382 CB VAL A 977 -10.087 -14.404 -5.192 1.00 39.71 C +ATOM 1383 CG1 VAL A 977 -10.566 -15.482 -6.190 1.00 39.45 C +ATOM 1384 CG2 VAL A 977 -8.902 -14.966 -4.383 1.00 39.89 C +ATOM 1385 H VAL A 977 -9.430 -12.158 -3.993 1.00 35.03 H +ATOM 1386 HA VAL A 977 -9.008 -13.276 -6.676 1.00 34.91 H +ATOM 1387 HB VAL A 977 -10.904 -14.236 -4.489 1.00 39.71 H +ATOM 1388 HG11 VAL A 977 -10.844 -16.399 -5.671 1.00 39.45 H +ATOM 1389 HG12 VAL A 977 -11.431 -15.171 -6.772 1.00 39.45 H +ATOM 1390 HG13 VAL A 977 -9.781 -15.736 -6.900 1.00 39.45 H +ATOM 1391 HG21 VAL A 977 -9.154 -15.924 -3.930 1.00 39.89 H +ATOM 1392 HG22 VAL A 977 -8.025 -15.118 -5.013 1.00 39.89 H +ATOM 1393 HG23 VAL A 977 -8.613 -14.298 -3.573 1.00 39.89 H +ATOM 1394 N MET A 978 -11.018 -12.399 -7.838 1.00 34.03 N +ATOM 1395 CA MET A 978 -12.116 -11.894 -8.659 1.00 34.32 C +ATOM 1396 C MET A 978 -12.540 -12.991 -9.642 1.00 36.69 C +ATOM 1397 O MET A 978 -11.821 -13.977 -9.818 1.00 35.63 O +ATOM 1398 CB MET A 978 -11.649 -10.646 -9.444 1.00 36.81 C +ATOM 1399 CG MET A 978 -11.004 -9.540 -8.591 1.00 41.50 C +ATOM 1400 SD MET A 978 -10.346 -8.138 -9.537 1.00 45.78 S +ATOM 1401 CE MET A 978 -8.928 -8.929 -10.347 1.00 42.96 C +ATOM 1402 H MET A 978 -10.223 -12.747 -8.359 1.00 34.03 H +ATOM 1403 HA MET A 978 -12.975 -11.632 -8.039 1.00 34.32 H +ATOM 1404 HB3 MET A 978 -12.505 -10.218 -9.965 1.00 36.81 H +ATOM 1405 HB2 MET A 978 -10.954 -10.945 -10.228 1.00 36.81 H +ATOM 1406 HG3 MET A 978 -10.178 -9.937 -8.001 1.00 41.50 H +ATOM 1407 HG2 MET A 978 -11.737 -9.160 -7.880 1.00 41.50 H +ATOM 1408 HE1 MET A 978 -8.302 -8.176 -10.828 1.00 42.96 H +ATOM 1409 HE2 MET A 978 -8.324 -9.468 -9.617 1.00 42.96 H +ATOM 1410 HE3 MET A 978 -9.259 -9.632 -11.111 1.00 42.96 H +ATOM 1411 N GLU A 979 -13.693 -12.790 -10.299 1.00 33.63 N +ATOM 1412 CA GLU A 979 -14.130 -13.636 -11.410 1.00 33.95 C +ATOM 1413 C GLU A 979 -13.221 -13.446 -12.639 1.00 35.56 C +ATOM 1414 O GLU A 979 -12.738 -12.338 -12.885 1.00 32.73 O +ATOM 1415 CB GLU A 979 -15.609 -13.338 -11.739 1.00 36.17 C +ATOM 1416 CG GLU A 979 -15.894 -11.923 -12.303 1.00 42.68 C +ATOM 1417 CD GLU A 979 -17.361 -11.629 -12.647 1.00 58.73 C +ATOM 1418 OE1 GLU A 979 -18.205 -12.552 -12.608 1.00 57.48 O +ATOM 1419 OE2 GLU A 979 -17.624 -10.443 -12.936 1.00 43.43 O1- +ATOM 1420 H GLU A 979 -14.249 -11.967 -10.111 1.00 33.63 H +ATOM 1421 HA GLU A 979 -14.062 -14.677 -11.086 1.00 33.95 H +ATOM 1422 HB3 GLU A 979 -16.207 -13.493 -10.839 1.00 36.17 H +ATOM 1423 HB2 GLU A 979 -15.955 -14.086 -12.454 1.00 36.17 H +ATOM 1424 HG3 GLU A 979 -15.327 -11.765 -13.220 1.00 42.68 H +ATOM 1425 HG2 GLU A 979 -15.548 -11.173 -11.592 1.00 42.68 H +ATOM 1426 N TYR A 980 -13.041 -14.533 -13.403 1.00 33.04 N +ATOM 1427 CA TYR A 980 -12.430 -14.495 -14.727 1.00 34.05 C +ATOM 1428 C TYR A 980 -13.478 -14.021 -15.747 1.00 39.90 C +ATOM 1429 O TYR A 980 -14.466 -14.722 -15.961 1.00 41.17 O +ATOM 1430 CB TYR A 980 -11.863 -15.890 -15.056 1.00 36.60 C +ATOM 1431 CG TYR A 980 -11.327 -16.057 -16.466 1.00 38.89 C +ATOM 1432 CD1 TYR A 980 -10.177 -15.349 -16.872 1.00 40.20 C +ATOM 1433 CD2 TYR A 980 -11.976 -16.920 -17.373 1.00 40.57 C +ATOM 1434 CE1 TYR A 980 -9.670 -15.518 -18.174 1.00 41.79 C +ATOM 1435 CE2 TYR A 980 -11.474 -17.080 -18.678 1.00 41.35 C +ATOM 1436 CZ TYR A 980 -10.320 -16.380 -19.078 1.00 46.65 C +ATOM 1437 OH TYR A 980 -9.833 -16.537 -20.343 1.00 46.21 O +ATOM 1438 H TYR A 980 -13.466 -15.409 -13.137 1.00 33.04 H +ATOM 1439 HA TYR A 980 -11.594 -13.793 -14.715 1.00 34.05 H +ATOM 1440 HB3 TYR A 980 -12.636 -16.643 -14.895 1.00 36.60 H +ATOM 1441 HB2 TYR A 980 -11.061 -16.132 -14.357 1.00 36.60 H +ATOM 1442 HD1 TYR A 980 -9.674 -14.686 -16.183 1.00 40.20 H +ATOM 1443 HD2 TYR A 980 -12.862 -17.462 -17.074 1.00 40.57 H +ATOM 1444 HE1 TYR A 980 -8.779 -14.987 -18.474 1.00 41.79 H +ATOM 1445 HE2 TYR A 980 -11.979 -17.741 -19.368 1.00 41.35 H +ATOM 1446 HH TYR A 980 -10.413 -17.057 -20.904 1.00 46.21 H +ATOM 1447 N VAL A 981 -13.239 -12.838 -16.332 1.00 35.70 N +ATOM 1448 CA VAL A 981 -14.101 -12.197 -17.324 1.00 35.13 C +ATOM 1449 C VAL A 981 -13.574 -12.604 -18.730 1.00 39.95 C +ATOM 1450 O VAL A 981 -12.505 -12.118 -19.104 1.00 40.49 O +ATOM 1451 CB VAL A 981 -14.058 -10.653 -17.132 1.00 37.53 C +ATOM 1452 CG1 VAL A 981 -14.857 -9.893 -18.198 1.00 37.76 C +ATOM 1453 CG2 VAL A 981 -14.580 -10.246 -15.740 1.00 36.89 C +ATOM 1454 H VAL A 981 -12.399 -12.331 -16.095 1.00 35.70 H +ATOM 1455 HA VAL A 981 -15.137 -12.483 -17.158 1.00 35.13 H +ATOM 1456 HB VAL A 981 -13.023 -10.311 -17.191 1.00 37.53 H +ATOM 1457 HG11 VAL A 981 -15.021 -8.853 -17.920 1.00 37.76 H +ATOM 1458 HG12 VAL A 981 -14.325 -9.893 -19.146 1.00 37.76 H +ATOM 1459 HG13 VAL A 981 -15.840 -10.338 -18.340 1.00 37.76 H +ATOM 1460 HG21 VAL A 981 -14.546 -9.164 -15.603 1.00 36.89 H +ATOM 1461 HG22 VAL A 981 -15.613 -10.564 -15.595 1.00 36.89 H +ATOM 1462 HG23 VAL A 981 -13.983 -10.687 -14.943 1.00 36.89 H +ATOM 1463 N PRO A 982 -14.236 -13.576 -19.417 1.00 37.29 N +ATOM 1464 CA PRO A 982 -13.585 -14.423 -20.446 1.00 36.67 C +ATOM 1465 C PRO A 982 -12.860 -13.783 -21.643 1.00 38.06 C +ATOM 1466 O PRO A 982 -11.839 -14.335 -22.052 1.00 37.41 O +ATOM 1467 CB PRO A 982 -14.700 -15.361 -20.931 1.00 39.18 C +ATOM 1468 CG PRO A 982 -15.601 -15.507 -19.725 1.00 44.96 C +ATOM 1469 CD PRO A 982 -15.570 -14.115 -19.112 1.00 40.09 C +ATOM 1470 HA PRO A 982 -12.851 -15.018 -19.904 1.00 36.67 H +ATOM 1471 HB3 PRO A 982 -14.321 -16.321 -21.282 1.00 39.18 H +ATOM 1472 HB2 PRO A 982 -15.262 -14.904 -21.747 1.00 39.18 H +ATOM 1473 HG3 PRO A 982 -15.162 -16.222 -19.027 1.00 44.96 H +ATOM 1474 HG2 PRO A 982 -16.608 -15.847 -19.972 1.00 44.96 H +ATOM 1475 HD2 PRO A 982 -16.316 -13.482 -19.589 1.00 40.09 H +ATOM 1476 HD3 PRO A 982 -15.827 -14.197 -18.060 1.00 40.09 H +ATOM 1477 N LEU A 983 -13.388 -12.681 -22.203 1.00 33.36 N +ATOM 1478 CA LEU A 983 -12.843 -12.062 -23.422 1.00 31.91 C +ATOM 1479 C LEU A 983 -11.814 -10.946 -23.143 1.00 34.62 C +ATOM 1480 O LEU A 983 -11.249 -10.418 -24.102 1.00 34.03 O +ATOM 1481 CB LEU A 983 -13.998 -11.589 -24.338 1.00 31.79 C +ATOM 1482 CG LEU A 983 -14.914 -12.723 -24.853 1.00 36.75 C +ATOM 1483 CD1 LEU A 983 -16.132 -12.153 -25.597 1.00 37.07 C +ATOM 1484 CD2 LEU A 983 -14.167 -13.751 -25.725 1.00 39.07 C +ATOM 1485 H LEU A 983 -14.225 -12.261 -21.822 1.00 33.36 H +ATOM 1486 HA LEU A 983 -12.282 -12.812 -23.980 1.00 31.91 H +ATOM 1487 HB3 LEU A 983 -13.592 -11.060 -25.201 1.00 31.79 H +ATOM 1488 HB2 LEU A 983 -14.603 -10.854 -23.814 1.00 31.79 H +ATOM 1489 HG LEU A 983 -15.313 -13.249 -23.984 1.00 36.75 H +ATOM 1490 HD11 LEU A 983 -16.925 -12.897 -25.665 1.00 37.07 H +ATOM 1491 HD12 LEU A 983 -16.543 -11.286 -25.082 1.00 37.07 H +ATOM 1492 HD13 LEU A 983 -15.876 -11.849 -26.612 1.00 37.07 H +ATOM 1493 HD21 LEU A 983 -14.717 -13.993 -26.635 1.00 39.07 H +ATOM 1494 HD22 LEU A 983 -13.185 -13.392 -26.034 1.00 39.07 H +ATOM 1495 HD23 LEU A 983 -14.020 -14.684 -25.179 1.00 39.07 H +ATOM 1496 N GLY A 984 -11.546 -10.637 -21.860 1.00 30.54 N +ATOM 1497 CA GLY A 984 -10.516 -9.689 -21.423 1.00 29.44 C +ATOM 1498 C GLY A 984 -10.876 -8.236 -21.754 1.00 30.46 C +ATOM 1499 O GLY A 984 -12.021 -7.930 -22.079 1.00 29.51 O +ATOM 1500 H GLY A 984 -12.055 -11.118 -21.131 1.00 30.54 H +ATOM 1501 HA3 GLY A 984 -9.560 -9.942 -21.881 1.00 29.44 H +ATOM 1502 HA2 GLY A 984 -10.394 -9.779 -20.344 1.00 29.44 H +ATOM 1503 N SER A 985 -9.886 -7.333 -21.635 1.00 25.72 N +ATOM 1504 CA SER A 985 -10.049 -5.891 -21.853 1.00 25.55 C +ATOM 1505 C SER A 985 -10.459 -5.532 -23.291 1.00 28.85 C +ATOM 1506 O SER A 985 -10.042 -6.208 -24.232 1.00 26.31 O +ATOM 1507 CB SER A 985 -8.790 -5.131 -21.383 1.00 29.24 C +ATOM 1508 OG SER A 985 -7.732 -5.139 -22.321 1.00 35.45 O +ATOM 1509 H SER A 985 -8.961 -7.643 -21.363 1.00 25.72 H +ATOM 1510 HA SER A 985 -10.850 -5.575 -21.193 1.00 25.55 H +ATOM 1511 HB3 SER A 985 -8.433 -5.515 -20.426 1.00 29.24 H +ATOM 1512 HB2 SER A 985 -9.055 -4.087 -21.216 1.00 29.24 H +ATOM 1513 HG SER A 985 -7.282 -5.989 -22.278 1.00 35.45 H +ATOM 1514 N LEU A 986 -11.228 -4.439 -23.428 1.00 27.52 N +ATOM 1515 CA LEU A 986 -11.598 -3.840 -24.714 1.00 27.90 C +ATOM 1516 C LEU A 986 -10.386 -3.309 -25.502 1.00 31.20 C +ATOM 1517 O LEU A 986 -10.448 -3.286 -26.730 1.00 30.54 O +ATOM 1518 CB LEU A 986 -12.637 -2.718 -24.487 1.00 27.75 C +ATOM 1519 CG LEU A 986 -14.060 -3.219 -24.159 1.00 32.92 C +ATOM 1520 CD1 LEU A 986 -14.973 -2.037 -23.797 1.00 33.36 C +ATOM 1521 CD2 LEU A 986 -14.679 -4.057 -25.297 1.00 36.70 C +ATOM 1522 H LEU A 986 -11.540 -3.944 -22.602 1.00 27.52 H +ATOM 1523 HA LEU A 986 -12.046 -4.621 -25.327 1.00 27.90 H +ATOM 1524 HB3 LEU A 986 -12.702 -2.085 -25.373 1.00 27.75 H +ATOM 1525 HB2 LEU A 986 -12.282 -2.062 -23.691 1.00 27.75 H +ATOM 1526 HG LEU A 986 -13.994 -3.851 -23.272 1.00 32.92 H +ATOM 1527 HD11 LEU A 986 -15.739 -2.343 -23.090 1.00 33.36 H +ATOM 1528 HD12 LEU A 986 -14.419 -1.222 -23.332 1.00 33.36 H +ATOM 1529 HD13 LEU A 986 -15.484 -1.636 -24.673 1.00 33.36 H +ATOM 1530 HD21 LEU A 986 -15.742 -3.854 -25.423 1.00 36.70 H +ATOM 1531 HD22 LEU A 986 -14.198 -3.861 -26.254 1.00 36.70 H +ATOM 1532 HD23 LEU A 986 -14.579 -5.123 -25.096 1.00 36.70 H +ATOM 1533 N ARG A 987 -9.299 -2.939 -24.799 1.00 29.06 N +ATOM 1534 CA ARG A 987 -8.031 -2.534 -25.405 1.00 29.96 C +ATOM 1535 C ARG A 987 -7.305 -3.677 -26.136 1.00 34.81 C +ATOM 1536 O ARG A 987 -6.700 -3.423 -27.176 1.00 34.10 O +ATOM 1537 CB ARG A 987 -7.144 -1.844 -24.353 1.00 32.11 C +ATOM 1538 CG ARG A 987 -5.886 -1.185 -24.945 1.00 46.98 C +ATOM 1539 CD ARG A 987 -5.087 -0.402 -23.897 1.00 59.29 C +ATOM 1540 NE ARG A 987 -3.815 0.102 -24.438 1.00 65.62 N +ATOM 1541 CZ ARG A 987 -2.644 -0.558 -24.501 1.00 80.85 C +ATOM 1542 NH1 ARG A 987 -1.580 0.060 -25.029 1.00 71.30 N +ATOM 1543 NH2 ARG A 987 -2.503 -1.814 -24.049 1.00 64.23 N1+ +ATOM 1544 H ARG A 987 -9.322 -2.985 -23.790 1.00 29.06 H +ATOM 1545 HA ARG A 987 -8.274 -1.789 -26.153 1.00 29.96 H +ATOM 1546 HB3 ARG A 987 -6.854 -2.564 -23.587 1.00 32.11 H +ATOM 1547 HB2 ARG A 987 -7.727 -1.075 -23.848 1.00 32.11 H +ATOM 1548 HG3 ARG A 987 -6.246 -0.472 -25.688 1.00 46.98 H +ATOM 1549 HG2 ARG A 987 -5.247 -1.885 -25.485 1.00 46.98 H +ATOM 1550 HD3 ARG A 987 -4.975 -0.950 -22.962 1.00 59.29 H +ATOM 1551 HD2 ARG A 987 -5.647 0.501 -23.661 1.00 59.29 H +ATOM 1552 HE ARG A 987 -3.863 1.026 -24.844 1.00 65.62 H +ATOM 1553 HH12 ARG A 987 -0.689 -0.418 -25.076 1.00 71.30 H +ATOM 1554 HH11 ARG A 987 -1.659 0.996 -25.400 1.00 71.30 H +ATOM 1555 HH22 ARG A 987 -1.604 -2.276 -24.094 1.00 64.23 H +ATOM 1556 HH21 ARG A 987 -3.304 -2.326 -23.705 1.00 64.23 H +ATOM 1557 N ASP A 988 -7.402 -4.903 -25.597 1.00 32.33 N +ATOM 1558 CA ASP A 988 -6.834 -6.117 -26.190 1.00 32.03 C +ATOM 1559 C ASP A 988 -7.784 -6.764 -27.211 1.00 34.79 C +ATOM 1560 O ASP A 988 -7.300 -7.367 -28.168 1.00 33.45 O +ATOM 1561 CB ASP A 988 -6.426 -7.165 -25.122 1.00 34.09 C +ATOM 1562 CG ASP A 988 -5.434 -6.685 -24.045 1.00 50.64 C +ATOM 1563 OD1 ASP A 988 -4.634 -5.762 -24.323 1.00 52.94 O +ATOM 1564 OD2 ASP A 988 -5.411 -7.344 -22.982 1.00 55.56 O1- +ATOM 1565 H ASP A 988 -7.904 -5.025 -24.728 1.00 32.33 H +ATOM 1566 HA ASP A 988 -5.932 -5.841 -26.740 1.00 32.03 H +ATOM 1567 HB3 ASP A 988 -5.979 -8.033 -25.609 1.00 34.09 H +ATOM 1568 HB2 ASP A 988 -7.325 -7.517 -24.611 1.00 34.09 H +ATOM 1569 N TYR A 989 -9.105 -6.643 -26.997 1.00 30.87 N +ATOM 1570 CA TYR A 989 -10.126 -7.300 -27.808 1.00 30.93 C +ATOM 1571 C TYR A 989 -10.392 -6.578 -29.141 1.00 31.61 C +ATOM 1572 O TYR A 989 -10.306 -7.225 -30.184 1.00 30.88 O +ATOM 1573 CB TYR A 989 -11.405 -7.491 -26.966 1.00 32.58 C +ATOM 1574 CG TYR A 989 -12.504 -8.294 -27.641 1.00 35.88 C +ATOM 1575 CD1 TYR A 989 -12.527 -9.699 -27.524 1.00 38.76 C +ATOM 1576 CD2 TYR A 989 -13.507 -7.639 -28.383 1.00 37.33 C +ATOM 1577 CE1 TYR A 989 -13.550 -10.444 -28.141 1.00 41.81 C +ATOM 1578 CE2 TYR A 989 -14.528 -8.383 -29.004 1.00 39.43 C +ATOM 1579 CZ TYR A 989 -14.552 -9.787 -28.882 1.00 47.08 C +ATOM 1580 OH TYR A 989 -15.543 -10.509 -29.480 1.00 54.57 O +ATOM 1581 H TYR A 989 -9.431 -6.155 -26.173 1.00 30.87 H +ATOM 1582 HA TYR A 989 -9.762 -8.301 -28.051 1.00 30.93 H +ATOM 1583 HB3 TYR A 989 -11.809 -6.523 -26.670 1.00 32.58 H +ATOM 1584 HB2 TYR A 989 -11.153 -8.001 -26.035 1.00 32.58 H +ATOM 1585 HD1 TYR A 989 -11.762 -10.210 -26.956 1.00 38.76 H +ATOM 1586 HD2 TYR A 989 -13.492 -6.565 -28.479 1.00 37.33 H +ATOM 1587 HE1 TYR A 989 -13.564 -11.520 -28.047 1.00 41.81 H +ATOM 1588 HE2 TYR A 989 -15.288 -7.871 -29.571 1.00 39.43 H +ATOM 1589 HH TYR A 989 -16.172 -9.966 -29.959 1.00 54.57 H +ATOM 1590 N LEU A 990 -10.714 -5.271 -29.094 1.00 26.64 N +ATOM 1591 CA LEU A 990 -11.173 -4.497 -30.256 1.00 26.55 C +ATOM 1592 C LEU A 990 -10.206 -4.345 -31.458 1.00 32.26 C +ATOM 1593 O LEU A 990 -10.721 -4.284 -32.575 1.00 32.40 O +ATOM 1594 CB LEU A 990 -11.722 -3.113 -29.835 1.00 25.29 C +ATOM 1595 CG LEU A 990 -12.966 -3.133 -28.922 1.00 28.64 C +ATOM 1596 CD1 LEU A 990 -13.275 -1.717 -28.403 1.00 28.39 C +ATOM 1597 CD2 LEU A 990 -14.198 -3.748 -29.615 1.00 27.70 C +ATOM 1598 H LEU A 990 -10.722 -4.786 -28.206 1.00 26.64 H +ATOM 1599 HA LEU A 990 -12.012 -5.070 -30.653 1.00 26.55 H +ATOM 1600 HB3 LEU A 990 -11.972 -2.536 -30.727 1.00 25.29 H +ATOM 1601 HB2 LEU A 990 -10.926 -2.557 -29.339 1.00 25.29 H +ATOM 1602 HG LEU A 990 -12.740 -3.751 -28.053 1.00 28.64 H +ATOM 1603 HD11 LEU A 990 -14.298 -1.629 -28.037 1.00 28.39 H +ATOM 1604 HD12 LEU A 990 -12.614 -1.456 -27.579 1.00 28.39 H +ATOM 1605 HD13 LEU A 990 -13.137 -0.966 -29.181 1.00 28.39 H +ATOM 1606 HD21 LEU A 990 -15.053 -3.075 -29.613 1.00 27.70 H +ATOM 1607 HD22 LEU A 990 -14.007 -4.000 -30.658 1.00 27.70 H +ATOM 1608 HD23 LEU A 990 -14.515 -4.658 -29.108 1.00 27.70 H +ATOM 1609 N PRO A 991 -8.861 -4.356 -31.276 1.00 29.17 N +ATOM 1610 CA PRO A 991 -7.921 -4.370 -32.418 1.00 30.32 C +ATOM 1611 C PRO A 991 -7.930 -5.651 -33.277 1.00 37.04 C +ATOM 1612 O PRO A 991 -7.518 -5.583 -34.433 1.00 39.83 O +ATOM 1613 CB PRO A 991 -6.542 -4.131 -31.778 1.00 31.53 C +ATOM 1614 CG PRO A 991 -6.847 -3.431 -30.468 1.00 34.07 C +ATOM 1615 CD PRO A 991 -8.141 -4.101 -30.029 1.00 29.12 C +ATOM 1616 HA PRO A 991 -8.165 -3.517 -33.053 1.00 30.32 H +ATOM 1617 HB3 PRO A 991 -5.882 -3.542 -32.415 1.00 31.53 H +ATOM 1618 HB2 PRO A 991 -6.041 -5.078 -31.569 1.00 31.53 H +ATOM 1619 HG3 PRO A 991 -7.029 -2.372 -30.654 1.00 34.07 H +ATOM 1620 HG2 PRO A 991 -6.040 -3.512 -29.739 1.00 34.07 H +ATOM 1621 HD2 PRO A 991 -7.920 -5.053 -29.550 1.00 29.12 H +ATOM 1622 HD3 PRO A 991 -8.689 -3.477 -29.324 1.00 29.12 H +ATOM 1623 N ARG A 992 -8.393 -6.776 -32.704 1.00 33.12 N +ATOM 1624 CA ARG A 992 -8.484 -8.080 -33.367 1.00 35.22 C +ATOM 1625 C ARG A 992 -9.932 -8.473 -33.715 1.00 42.35 C +ATOM 1626 O ARG A 992 -10.108 -9.451 -34.442 1.00 43.35 O +ATOM 1627 CB ARG A 992 -7.844 -9.145 -32.449 1.00 36.79 C +ATOM 1628 CG ARG A 992 -6.319 -8.989 -32.271 1.00 49.00 C +ATOM 1629 CD ARG A 992 -5.892 -8.579 -30.852 1.00 65.39 C +ATOM 1630 NE ARG A 992 -4.426 -8.624 -30.703 1.00 83.52 N +ATOM 1631 CZ ARG A 992 -3.694 -8.253 -29.634 1.00101.34 C +ATOM 1632 NH1 ARG A 992 -4.252 -7.758 -28.520 1.00 87.97 N +ATOM 1633 NH2 ARG A 992 -2.362 -8.383 -29.686 1.00 90.05 N1+ +ATOM 1634 H ARG A 992 -8.718 -6.745 -31.748 1.00 33.12 H +ATOM 1635 HA ARG A 992 -7.937 -8.070 -34.311 1.00 35.22 H +ATOM 1636 HB3 ARG A 992 -8.019 -10.135 -32.874 1.00 36.79 H +ATOM 1637 HB2 ARG A 992 -8.347 -9.156 -31.481 1.00 36.79 H +ATOM 1638 HG3 ARG A 992 -5.984 -8.211 -32.959 1.00 49.00 H +ATOM 1639 HG2 ARG A 992 -5.795 -9.891 -32.591 1.00 49.00 H +ATOM 1640 HD3 ARG A 992 -6.405 -9.162 -30.086 1.00 65.39 H +ATOM 1641 HD2 ARG A 992 -6.173 -7.536 -30.702 1.00 65.39 H +ATOM 1642 HE ARG A 992 -3.930 -8.982 -31.506 1.00 83.52 H +ATOM 1643 HH12 ARG A 992 -3.685 -7.485 -27.730 1.00 87.97 H +ATOM 1644 HH11 ARG A 992 -5.258 -7.657 -28.465 1.00 87.97 H +ATOM 1645 HH22 ARG A 992 -1.792 -8.114 -28.898 1.00 90.05 H +ATOM 1646 HH21 ARG A 992 -1.915 -8.753 -30.512 1.00 90.05 H +ATOM 1647 N HIS A 993 -10.932 -7.735 -33.203 1.00 39.31 N +ATOM 1648 CA HIS A 993 -12.354 -8.027 -33.380 1.00 40.02 C +ATOM 1649 C HIS A 993 -13.077 -6.733 -33.769 1.00 44.39 C +ATOM 1650 O HIS A 993 -13.261 -5.861 -32.921 1.00 42.90 O +ATOM 1651 CB HIS A 993 -12.939 -8.635 -32.086 1.00 40.24 C +ATOM 1652 CG HIS A 993 -12.283 -9.912 -31.615 1.00 43.95 C +ATOM 1653 ND1 HIS A 993 -11.177 -9.920 -30.785 1.00 44.82 N +ATOM 1654 CD2 HIS A 993 -12.590 -11.239 -31.827 1.00 46.86 C +ATOM 1655 CE1 HIS A 993 -10.860 -11.194 -30.550 1.00 45.15 C +ATOM 1656 NE2 HIS A 993 -11.676 -12.052 -31.151 1.00 46.64 N +ATOM 1657 H HIS A 993 -10.715 -6.931 -32.630 1.00 39.31 H +ATOM 1658 HA HIS A 993 -12.499 -8.751 -34.185 1.00 40.02 H +ATOM 1659 HB3 HIS A 993 -14.003 -8.834 -32.218 1.00 40.24 H +ATOM 1660 HB2 HIS A 993 -12.867 -7.911 -31.273 1.00 40.24 H +ATOM 1661 HD1 HIS A 993 -10.700 -9.100 -30.428 1.00 44.82 H +ATOM 1662 HD2 HIS A 993 -13.392 -11.668 -32.409 1.00 46.86 H +ATOM 1663 HE1 HIS A 993 -10.029 -11.498 -29.930 1.00 45.15 H +ATOM 1664 N SER A 994 -13.469 -6.637 -35.050 1.00 43.61 N +ATOM 1665 CA SER A 994 -14.216 -5.517 -35.622 1.00 44.09 C +ATOM 1666 C SER A 994 -15.692 -5.529 -35.171 1.00 48.55 C +ATOM 1667 O SER A 994 -16.531 -6.169 -35.806 1.00 49.91 O +ATOM 1668 CB SER A 994 -14.025 -5.525 -37.157 1.00 50.40 C +ATOM 1669 OG SER A 994 -14.546 -6.689 -37.773 1.00 64.99 O +ATOM 1670 H SER A 994 -13.274 -7.396 -35.688 1.00 43.61 H +ATOM 1671 HA SER A 994 -13.766 -4.592 -35.256 1.00 44.09 H +ATOM 1672 HB3 SER A 994 -12.967 -5.443 -37.407 1.00 50.40 H +ATOM 1673 HB2 SER A 994 -14.515 -4.656 -37.598 1.00 50.40 H +ATOM 1674 HG SER A 994 -15.491 -6.725 -37.595 1.00 64.99 H +ATOM 1675 N ILE A 995 -15.968 -4.829 -34.059 1.00 42.04 N +ATOM 1676 CA ILE A 995 -17.297 -4.716 -33.460 1.00 40.91 C +ATOM 1677 C ILE A 995 -18.068 -3.524 -34.065 1.00 43.90 C +ATOM 1678 O ILE A 995 -17.487 -2.458 -34.267 1.00 43.46 O +ATOM 1679 CB ILE A 995 -17.190 -4.557 -31.912 1.00 42.36 C +ATOM 1680 CG1 ILE A 995 -16.542 -5.795 -31.244 1.00 42.65 C +ATOM 1681 CG2 ILE A 995 -18.522 -4.231 -31.212 1.00 41.71 C +ATOM 1682 CD1 ILE A 995 -17.248 -7.138 -31.504 1.00 43.19 C +ATOM 1683 H ILE A 995 -15.221 -4.351 -33.577 1.00 42.04 H +ATOM 1684 HA ILE A 995 -17.863 -5.621 -33.683 1.00 40.91 H +ATOM 1685 HB ILE A 995 -16.523 -3.717 -31.712 1.00 42.36 H +ATOM 1686 HG13 ILE A 995 -16.477 -5.632 -30.168 1.00 42.65 H +ATOM 1687 HG12 ILE A 995 -15.509 -5.883 -31.577 1.00 42.65 H +ATOM 1688 HG21 ILE A 995 -18.425 -4.265 -30.128 1.00 41.71 H +ATOM 1689 HG22 ILE A 995 -18.885 -3.237 -31.458 1.00 41.71 H +ATOM 1690 HG23 ILE A 995 -19.291 -4.943 -31.502 1.00 41.71 H +ATOM 1691 HD11 ILE A 995 -16.665 -7.755 -32.189 1.00 43.19 H +ATOM 1692 HD12 ILE A 995 -17.371 -7.700 -30.579 1.00 43.19 H +ATOM 1693 HD13 ILE A 995 -18.240 -7.017 -31.937 1.00 43.19 H +ATOM 1694 N GLY A 996 -19.367 -3.741 -34.340 1.00 39.60 N +ATOM 1695 CA GLY A 996 -20.266 -2.770 -34.968 1.00 39.64 C +ATOM 1696 C GLY A 996 -20.586 -1.587 -34.042 1.00 40.81 C +ATOM 1697 O GLY A 996 -20.512 -1.702 -32.819 1.00 40.20 O +ATOM 1698 H GLY A 996 -19.762 -4.647 -34.131 1.00 39.60 H +ATOM 1699 HA3 GLY A 996 -21.197 -3.274 -35.230 1.00 39.64 H +ATOM 1700 HA2 GLY A 996 -19.822 -2.411 -35.899 1.00 39.64 H +ATOM 1701 N LEU A 997 -20.971 -0.455 -34.657 1.00 36.29 N +ATOM 1702 CA LEU A 997 -21.246 0.842 -34.027 1.00 34.21 C +ATOM 1703 C LEU A 997 -22.253 0.794 -32.862 1.00 36.59 C +ATOM 1704 O LEU A 997 -21.971 1.364 -31.810 1.00 34.53 O +ATOM 1705 CB LEU A 997 -21.668 1.839 -35.136 1.00 34.53 C +ATOM 1706 CG LEU A 997 -22.085 3.257 -34.679 1.00 38.00 C +ATOM 1707 CD1 LEU A 997 -21.003 3.953 -33.830 1.00 36.32 C +ATOM 1708 CD2 LEU A 997 -22.516 4.117 -35.882 1.00 39.98 C +ATOM 1709 H LEU A 997 -21.022 -0.454 -35.665 1.00 36.29 H +ATOM 1710 HA LEU A 997 -20.296 1.180 -33.607 1.00 34.21 H +ATOM 1711 HB3 LEU A 997 -22.498 1.403 -35.694 1.00 34.53 H +ATOM 1712 HB2 LEU A 997 -20.848 1.931 -35.850 1.00 34.53 H +ATOM 1713 HG LEU A 997 -22.979 3.156 -34.066 1.00 38.00 H +ATOM 1714 HD11 LEU A 997 -20.907 5.011 -34.068 1.00 36.32 H +ATOM 1715 HD12 LEU A 997 -21.240 3.892 -32.768 1.00 36.32 H +ATOM 1716 HD13 LEU A 997 -20.023 3.501 -33.975 1.00 36.32 H +ATOM 1717 HD21 LEU A 997 -23.382 4.730 -35.631 1.00 39.98 H +ATOM 1718 HD22 LEU A 997 -21.722 4.787 -36.212 1.00 39.98 H +ATOM 1719 HD23 LEU A 997 -22.792 3.508 -36.743 1.00 39.98 H +ATOM 1720 N ALA A 998 -23.385 0.097 -33.056 1.00 34.25 N +ATOM 1721 CA ALA A 998 -24.436 -0.068 -32.048 1.00 34.26 C +ATOM 1722 C ALA A 998 -23.978 -0.828 -30.795 1.00 36.18 C +ATOM 1723 O ALA A 998 -24.412 -0.489 -29.697 1.00 35.22 O +ATOM 1724 CB ALA A 998 -25.620 -0.800 -32.683 1.00 36.52 C +ATOM 1725 H ALA A 998 -23.545 -0.352 -33.946 1.00 34.25 H +ATOM 1726 HA ALA A 998 -24.766 0.928 -31.746 1.00 34.26 H +ATOM 1727 HB1 ALA A 998 -26.494 -0.773 -32.032 1.00 36.52 H +ATOM 1728 HB2 ALA A 998 -25.891 -0.332 -33.625 1.00 36.52 H +ATOM 1729 HB3 ALA A 998 -25.390 -1.845 -32.895 1.00 36.52 H +ATOM 1730 N GLN A 999 -23.104 -1.828 -30.986 1.00 32.90 N +ATOM 1731 CA GLN A 999 -22.554 -2.672 -29.930 1.00 31.66 C +ATOM 1732 C GLN A 999 -21.449 -1.961 -29.118 1.00 31.83 C +ATOM 1733 O GLN A 999 -21.312 -2.260 -27.934 1.00 31.42 O +ATOM 1734 CB GLN A 999 -22.123 -4.001 -30.581 1.00 33.78 C +ATOM 1735 CG GLN A 999 -21.631 -5.094 -29.613 1.00 53.37 C +ATOM 1736 CD GLN A 999 -21.398 -6.430 -30.329 1.00 79.04 C +ATOM 1737 OE1 GLN A 999 -22.196 -6.847 -31.167 1.00 77.41 O +ATOM 1738 NE2 GLN A 999 -20.311 -7.123 -29.988 1.00 70.04 N +ATOM 1739 H GLN A 999 -22.774 -2.022 -31.921 1.00 32.90 H +ATOM 1740 HA GLN A 999 -23.363 -2.901 -29.234 1.00 31.66 H +ATOM 1741 HB3 GLN A 999 -21.362 -3.808 -31.337 1.00 33.78 H +ATOM 1742 HB2 GLN A 999 -22.986 -4.387 -31.127 1.00 33.78 H +ATOM 1743 HG3 GLN A 999 -22.370 -5.254 -28.827 1.00 53.37 H +ATOM 1744 HG2 GLN A 999 -20.713 -4.776 -29.118 1.00 53.37 H +ATOM 1745 HE22 GLN A 999 -20.124 -8.015 -30.423 1.00 70.04 H +ATOM 1746 HE21 GLN A 999 -19.688 -6.775 -29.275 1.00 70.04 H +ATOM 1747 N LEU A1000 -20.745 -0.987 -29.728 1.00 27.73 N +ATOM 1748 CA LEU A1000 -19.837 -0.058 -29.039 1.00 27.15 C +ATOM 1749 C LEU A1000 -20.602 0.962 -28.173 1.00 30.03 C +ATOM 1750 O LEU A1000 -20.128 1.298 -27.089 1.00 28.40 O +ATOM 1751 CB LEU A1000 -18.941 0.687 -30.057 1.00 27.39 C +ATOM 1752 CG LEU A1000 -17.983 -0.213 -30.868 1.00 31.72 C +ATOM 1753 CD1 LEU A1000 -17.356 0.561 -32.047 1.00 31.24 C +ATOM 1754 CD2 LEU A1000 -16.931 -0.905 -29.974 1.00 32.46 C +ATOM 1755 H LEU A1000 -20.898 -0.808 -30.711 1.00 27.73 H +ATOM 1756 HA LEU A1000 -19.203 -0.639 -28.368 1.00 27.15 H +ATOM 1757 HB3 LEU A1000 -18.349 1.446 -29.542 1.00 27.39 H +ATOM 1758 HB2 LEU A1000 -19.579 1.236 -30.750 1.00 27.39 H +ATOM 1759 HG LEU A1000 -18.575 -1.004 -31.319 1.00 31.72 H +ATOM 1760 HD11 LEU A1000 -16.276 0.440 -32.110 1.00 31.24 H +ATOM 1761 HD12 LEU A1000 -17.766 0.211 -32.995 1.00 31.24 H +ATOM 1762 HD13 LEU A1000 -17.553 1.632 -31.987 1.00 31.24 H +ATOM 1763 HD21 LEU A1000 -15.915 -0.808 -30.355 1.00 32.46 H +ATOM 1764 HD22 LEU A1000 -16.927 -0.508 -28.959 1.00 32.46 H +ATOM 1765 HD23 LEU A1000 -17.143 -1.971 -29.895 1.00 32.46 H +ATOM 1766 N LEU A1001 -21.777 1.412 -28.649 1.00 27.18 N +ATOM 1767 CA LEU A1001 -22.686 2.307 -27.925 1.00 26.38 C +ATOM 1768 C LEU A1001 -23.438 1.597 -26.784 1.00 30.80 C +ATOM 1769 O LEU A1001 -23.825 2.267 -25.828 1.00 31.19 O +ATOM 1770 CB LEU A1001 -23.676 2.954 -28.917 1.00 26.55 C +ATOM 1771 CG LEU A1001 -23.013 3.926 -29.918 1.00 30.43 C +ATOM 1772 CD1 LEU A1001 -23.952 4.207 -31.106 1.00 31.54 C +ATOM 1773 CD2 LEU A1001 -22.506 5.215 -29.233 1.00 29.53 C +ATOM 1774 H LEU A1001 -22.089 1.106 -29.561 1.00 27.18 H +ATOM 1775 HA LEU A1001 -22.089 3.096 -27.466 1.00 26.38 H +ATOM 1776 HB3 LEU A1001 -24.463 3.486 -28.377 1.00 26.55 H +ATOM 1777 HB2 LEU A1001 -24.185 2.161 -29.465 1.00 26.55 H +ATOM 1778 HG LEU A1001 -22.132 3.441 -30.337 1.00 30.43 H +ATOM 1779 HD11 LEU A1001 -23.983 5.260 -31.385 1.00 31.54 H +ATOM 1780 HD12 LEU A1001 -23.629 3.658 -31.987 1.00 31.54 H +ATOM 1781 HD13 LEU A1001 -24.976 3.893 -30.899 1.00 31.54 H +ATOM 1782 HD21 LEU A1001 -22.841 6.124 -29.733 1.00 29.53 H +ATOM 1783 HD22 LEU A1001 -22.836 5.285 -28.197 1.00 29.53 H +ATOM 1784 HD23 LEU A1001 -21.416 5.244 -29.226 1.00 29.53 H +ATOM 1785 N LEU A1002 -23.591 0.263 -26.876 1.00 28.48 N +ATOM 1786 CA LEU A1002 -24.093 -0.583 -25.794 1.00 29.15 C +ATOM 1787 C LEU A1002 -23.051 -0.738 -24.674 1.00 32.78 C +ATOM 1788 O LEU A1002 -23.434 -0.689 -23.510 1.00 33.09 O +ATOM 1789 CB LEU A1002 -24.539 -1.949 -26.358 1.00 30.13 C +ATOM 1790 CG LEU A1002 -25.242 -2.886 -25.347 1.00 35.32 C +ATOM 1791 CD1 LEU A1002 -26.517 -2.256 -24.743 1.00 35.94 C +ATOM 1792 CD2 LEU A1002 -25.516 -4.263 -25.983 1.00 37.39 C +ATOM 1793 H LEU A1002 -23.275 -0.216 -27.707 1.00 28.48 H +ATOM 1794 HA LEU A1002 -24.965 -0.081 -25.371 1.00 29.15 H +ATOM 1795 HB3 LEU A1002 -23.668 -2.461 -26.767 1.00 30.13 H +ATOM 1796 HB2 LEU A1002 -25.205 -1.783 -27.204 1.00 30.13 H +ATOM 1797 HG LEU A1002 -24.552 -3.073 -24.523 1.00 35.32 H +ATOM 1798 HD11 LEU A1002 -27.342 -2.964 -24.668 1.00 35.94 H +ATOM 1799 HD12 LEU A1002 -26.322 -1.889 -23.735 1.00 35.94 H +ATOM 1800 HD13 LEU A1002 -26.876 -1.412 -25.332 1.00 35.94 H +ATOM 1801 HD21 LEU A1002 -25.099 -5.062 -25.370 1.00 37.39 H +ATOM 1802 HD22 LEU A1002 -26.580 -4.467 -26.107 1.00 37.39 H +ATOM 1803 HD23 LEU A1002 -25.064 -4.344 -26.972 1.00 37.39 H +ATOM 1804 N PHE A1003 -21.759 -0.868 -25.028 1.00 28.23 N +ATOM 1805 CA PHE A1003 -20.655 -0.875 -24.062 1.00 28.18 C +ATOM 1806 C PHE A1003 -20.511 0.476 -23.342 1.00 29.97 C +ATOM 1807 O PHE A1003 -20.259 0.479 -22.141 1.00 28.15 O +ATOM 1808 CB PHE A1003 -19.325 -1.258 -24.746 1.00 29.26 C +ATOM 1809 CG PHE A1003 -19.279 -2.592 -25.474 1.00 30.64 C +ATOM 1810 CD1 PHE A1003 -20.025 -3.708 -25.030 1.00 35.83 C +ATOM 1811 CD2 PHE A1003 -18.351 -2.769 -26.524 1.00 32.41 C +ATOM 1812 CE1 PHE A1003 -19.912 -4.923 -25.689 1.00 37.36 C +ATOM 1813 CE2 PHE A1003 -18.249 -3.994 -27.166 1.00 35.63 C +ATOM 1814 CZ PHE A1003 -19.041 -5.060 -26.763 1.00 35.58 C +ATOM 1815 H PHE A1003 -21.505 -0.929 -26.005 1.00 28.23 H +ATOM 1816 HA PHE A1003 -20.880 -1.619 -23.295 1.00 28.18 H +ATOM 1817 HB3 PHE A1003 -18.523 -1.259 -24.006 1.00 29.26 H +ATOM 1818 HB2 PHE A1003 -19.059 -0.483 -25.466 1.00 29.26 H +ATOM 1819 HD1 PHE A1003 -20.700 -3.633 -24.191 1.00 35.83 H +ATOM 1820 HD2 PHE A1003 -17.725 -1.947 -26.840 1.00 32.41 H +ATOM 1821 HE1 PHE A1003 -20.497 -5.766 -25.354 1.00 37.36 H +ATOM 1822 HE2 PHE A1003 -17.547 -4.117 -27.977 1.00 35.63 H +ATOM 1823 HZ PHE A1003 -18.959 -6.011 -27.269 1.00 35.58 H +ATOM 1824 N ALA A1004 -20.731 1.584 -24.072 1.00 26.49 N +ATOM 1825 CA ALA A1004 -20.755 2.950 -23.546 1.00 26.36 C +ATOM 1826 C ALA A1004 -21.889 3.188 -22.534 1.00 28.13 C +ATOM 1827 O ALA A1004 -21.646 3.813 -21.503 1.00 27.39 O +ATOM 1828 CB ALA A1004 -20.866 3.934 -24.717 1.00 27.23 C +ATOM 1829 H ALA A1004 -20.921 1.490 -25.061 1.00 26.49 H +ATOM 1830 HA ALA A1004 -19.802 3.121 -23.044 1.00 26.36 H +ATOM 1831 HB1 ALA A1004 -20.669 4.955 -24.388 1.00 27.23 H +ATOM 1832 HB2 ALA A1004 -20.149 3.690 -25.500 1.00 27.23 H +ATOM 1833 HB3 ALA A1004 -21.858 3.924 -25.167 1.00 27.23 H +ATOM 1834 N GLN A1005 -23.086 2.653 -22.836 1.00 24.98 N +ATOM 1835 CA GLN A1005 -24.260 2.646 -21.962 1.00 26.13 C +ATOM 1836 C GLN A1005 -24.000 1.861 -20.664 1.00 30.14 C +ATOM 1837 O GLN A1005 -24.277 2.381 -19.588 1.00 29.23 O +ATOM 1838 CB GLN A1005 -25.457 2.061 -22.743 1.00 27.37 C +ATOM 1839 CG GLN A1005 -26.795 2.043 -21.977 1.00 34.59 C +ATOM 1840 CD GLN A1005 -27.754 1.004 -22.560 1.00 45.52 C +ATOM 1841 OE1 GLN A1005 -28.047 1.022 -23.754 1.00 37.97 O +ATOM 1842 NE2 GLN A1005 -28.257 0.103 -21.715 1.00 40.39 N +ATOM 1843 H GLN A1005 -23.197 2.173 -23.719 1.00 24.98 H +ATOM 1844 HA GLN A1005 -24.491 3.679 -21.697 1.00 26.13 H +ATOM 1845 HB3 GLN A1005 -25.207 1.045 -23.045 1.00 27.37 H +ATOM 1846 HB2 GLN A1005 -25.597 2.607 -23.676 1.00 27.37 H +ATOM 1847 HG3 GLN A1005 -27.254 3.031 -22.015 1.00 34.59 H +ATOM 1848 HG2 GLN A1005 -26.655 1.816 -20.921 1.00 34.59 H +ATOM 1849 HE22 GLN A1005 -28.891 -0.608 -22.048 1.00 40.39 H +ATOM 1850 HE21 GLN A1005 -27.972 0.095 -20.742 1.00 40.39 H +ATOM 1851 N GLN A1006 -23.463 0.637 -20.801 1.00 27.56 N +ATOM 1852 CA GLN A1006 -23.149 -0.280 -19.705 1.00 27.14 C +ATOM 1853 C GLN A1006 -22.047 0.229 -18.763 1.00 28.50 C +ATOM 1854 O GLN A1006 -22.162 0.026 -17.555 1.00 29.35 O +ATOM 1855 CB GLN A1006 -22.827 -1.668 -20.285 1.00 28.20 C +ATOM 1856 CG GLN A1006 -24.079 -2.365 -20.858 1.00 30.44 C +ATOM 1857 CD GLN A1006 -23.782 -3.708 -21.527 1.00 43.69 C +ATOM 1858 OE1 GLN A1006 -22.651 -3.996 -21.917 1.00 40.01 O +ATOM 1859 NE2 GLN A1006 -24.818 -4.532 -21.686 1.00 39.19 N +ATOM 1860 H GLN A1006 -23.282 0.283 -21.732 1.00 27.56 H +ATOM 1861 HA GLN A1006 -24.051 -0.376 -19.098 1.00 27.14 H +ATOM 1862 HB3 GLN A1006 -22.390 -2.304 -19.514 1.00 28.20 H +ATOM 1863 HB2 GLN A1006 -22.065 -1.565 -21.060 1.00 28.20 H +ATOM 1864 HG3 GLN A1006 -24.582 -1.732 -21.586 1.00 30.44 H +ATOM 1865 HG2 GLN A1006 -24.811 -2.514 -20.067 1.00 30.44 H +ATOM 1866 HE22 GLN A1006 -24.692 -5.427 -22.143 1.00 39.19 H +ATOM 1867 HE21 GLN A1006 -25.736 -4.267 -21.356 1.00 39.19 H +ATOM 1868 N ILE A1007 -21.046 0.945 -19.310 1.00 24.53 N +ATOM 1869 CA ILE A1007 -20.058 1.701 -18.535 1.00 23.52 C +ATOM 1870 C ILE A1007 -20.726 2.820 -17.711 1.00 26.94 C +ATOM 1871 O ILE A1007 -20.409 2.944 -16.533 1.00 25.88 O +ATOM 1872 CB ILE A1007 -18.926 2.306 -19.426 1.00 26.23 C +ATOM 1873 CG1 ILE A1007 -18.019 1.193 -20.000 1.00 26.44 C +ATOM 1874 CG2 ILE A1007 -18.037 3.371 -18.740 1.00 26.63 C +ATOM 1875 CD1 ILE A1007 -17.292 1.594 -21.295 1.00 29.19 C +ATOM 1876 H ILE A1007 -21.001 1.051 -20.315 1.00 24.53 H +ATOM 1877 HA ILE A1007 -19.596 1.006 -17.831 1.00 23.52 H +ATOM 1878 HB ILE A1007 -19.417 2.795 -20.269 1.00 26.23 H +ATOM 1879 HG13 ILE A1007 -18.602 0.298 -20.198 1.00 26.44 H +ATOM 1880 HG12 ILE A1007 -17.290 0.891 -19.247 1.00 26.44 H +ATOM 1881 HG21 ILE A1007 -17.213 3.674 -19.386 1.00 26.63 H +ATOM 1882 HG22 ILE A1007 -18.587 4.279 -18.493 1.00 26.63 H +ATOM 1883 HG23 ILE A1007 -17.601 2.982 -17.819 1.00 26.63 H +ATOM 1884 HD11 ILE A1007 -17.110 0.724 -21.926 1.00 29.19 H +ATOM 1885 HD12 ILE A1007 -17.870 2.304 -21.886 1.00 29.19 H +ATOM 1886 HD13 ILE A1007 -16.329 2.054 -21.079 1.00 29.19 H +ATOM 1887 N CYS A1008 -21.668 3.569 -18.315 1.00 24.96 N +ATOM 1888 CA CYS A1008 -22.410 4.640 -17.643 1.00 26.23 C +ATOM 1889 C CYS A1008 -23.338 4.140 -16.522 1.00 28.78 C +ATOM 1890 O CYS A1008 -23.478 4.846 -15.526 1.00 27.82 O +ATOM 1891 CB CYS A1008 -23.199 5.532 -18.621 1.00 27.44 C +ATOM 1892 SG CYS A1008 -22.051 6.468 -19.659 1.00 31.30 S +ATOM 1893 H CYS A1008 -21.895 3.404 -19.286 1.00 24.96 H +ATOM 1894 HA CYS A1008 -21.660 5.257 -17.153 1.00 26.23 H +ATOM 1895 HB3 CYS A1008 -23.812 6.254 -18.081 1.00 27.44 H +ATOM 1896 HB2 CYS A1008 -23.867 4.949 -19.254 1.00 27.44 H +ATOM 1897 HG CYS A1008 -21.637 5.425 -20.388 1.00 31.30 H +ATOM 1898 N GLU A1009 -23.920 2.938 -16.675 1.00 27.13 N +ATOM 1899 CA GLU A1009 -24.733 2.268 -15.657 1.00 27.79 C +ATOM 1900 C GLU A1009 -23.912 1.783 -14.445 1.00 31.65 C +ATOM 1901 O GLU A1009 -24.399 1.889 -13.319 1.00 32.67 O +ATOM 1902 CB GLU A1009 -25.543 1.123 -16.306 1.00 29.33 C +ATOM 1903 CG GLU A1009 -26.670 1.630 -17.233 1.00 35.16 C +ATOM 1904 CD GLU A1009 -27.452 0.517 -17.939 1.00 58.21 C +ATOM 1905 OE1 GLU A1009 -26.841 -0.181 -18.778 1.00 48.70 O +ATOM 1906 OE2 GLU A1009 -28.669 0.409 -17.672 1.00 60.77 O1- +ATOM 1907 H GLU A1009 -23.784 2.431 -17.540 1.00 27.13 H +ATOM 1908 HA GLU A1009 -25.446 2.996 -15.268 1.00 27.79 H +ATOM 1909 HB3 GLU A1009 -25.971 0.479 -15.537 1.00 29.33 H +ATOM 1910 HB2 GLU A1009 -24.863 0.498 -16.884 1.00 29.33 H +ATOM 1911 HG3 GLU A1009 -26.258 2.273 -18.007 1.00 35.16 H +ATOM 1912 HG2 GLU A1009 -27.358 2.252 -16.659 1.00 35.16 H +ATOM 1913 N GLY A1010 -22.678 1.302 -14.684 1.00 27.84 N +ATOM 1914 CA GLY A1010 -21.757 0.860 -13.634 1.00 27.29 C +ATOM 1915 C GLY A1010 -21.100 2.051 -12.916 1.00 30.56 C +ATOM 1916 O GLY A1010 -20.877 1.977 -11.709 1.00 30.70 O +ATOM 1917 H GLY A1010 -22.350 1.239 -15.639 1.00 27.84 H +ATOM 1918 HA3 GLY A1010 -20.981 0.244 -14.087 1.00 27.29 H +ATOM 1919 HA2 GLY A1010 -22.276 0.232 -12.908 1.00 27.29 H +ATOM 1920 N MET A1011 -20.818 3.147 -13.644 1.00 27.80 N +ATOM 1921 CA MET A1011 -20.246 4.387 -13.112 1.00 26.42 C +ATOM 1922 C MET A1011 -21.264 5.246 -12.341 1.00 31.30 C +ATOM 1923 O MET A1011 -20.866 5.900 -11.379 1.00 31.07 O +ATOM 1924 CB MET A1011 -19.609 5.206 -14.252 1.00 27.40 C +ATOM 1925 CG MET A1011 -18.282 4.647 -14.803 1.00 29.13 C +ATOM 1926 SD MET A1011 -16.903 4.468 -13.634 1.00 32.16 S +ATOM 1927 CE MET A1011 -16.935 6.101 -12.864 1.00 29.76 C +ATOM 1928 H MET A1011 -21.000 3.137 -14.639 1.00 27.80 H +ATOM 1929 HA MET A1011 -19.465 4.122 -12.399 1.00 26.42 H +ATOM 1930 HB3 MET A1011 -19.439 6.229 -13.920 1.00 27.40 H +ATOM 1931 HB2 MET A1011 -20.323 5.296 -15.072 1.00 27.40 H +ATOM 1932 HG3 MET A1011 -17.947 5.292 -15.614 1.00 29.13 H +ATOM 1933 HG2 MET A1011 -18.438 3.669 -15.249 1.00 29.13 H +ATOM 1934 HE1 MET A1011 -16.007 6.289 -12.329 1.00 29.76 H +ATOM 1935 HE2 MET A1011 -17.067 6.868 -13.624 1.00 29.76 H +ATOM 1936 HE3 MET A1011 -17.760 6.167 -12.156 1.00 29.76 H +ATOM 1937 N ALA A1012 -22.550 5.215 -12.739 1.00 27.75 N +ATOM 1938 CA ALA A1012 -23.648 5.853 -12.006 1.00 28.69 C +ATOM 1939 C ALA A1012 -23.910 5.181 -10.651 1.00 34.11 C +ATOM 1940 O ALA A1012 -24.159 5.887 -9.675 1.00 34.50 O +ATOM 1941 CB ALA A1012 -24.928 5.851 -12.850 1.00 29.26 C +ATOM 1942 H ALA A1012 -22.809 4.689 -13.563 1.00 27.75 H +ATOM 1943 HA ALA A1012 -23.371 6.892 -11.815 1.00 28.69 H +ATOM 1944 HB1 ALA A1012 -25.772 6.255 -12.290 1.00 29.26 H +ATOM 1945 HB2 ALA A1012 -24.814 6.467 -13.739 1.00 29.26 H +ATOM 1946 HB3 ALA A1012 -25.195 4.842 -13.168 1.00 29.26 H +ATOM 1947 N TYR A1013 -23.798 3.840 -10.611 1.00 31.58 N +ATOM 1948 CA TYR A1013 -23.827 3.053 -9.380 1.00 32.97 C +ATOM 1949 C TYR A1013 -22.640 3.371 -8.452 1.00 36.19 C +ATOM 1950 O TYR A1013 -22.866 3.557 -7.260 1.00 37.27 O +ATOM 1951 CB TYR A1013 -23.945 1.548 -9.711 1.00 34.46 C +ATOM 1952 CG TYR A1013 -23.718 0.625 -8.524 1.00 37.28 C +ATOM 1953 CD1 TYR A1013 -24.724 0.455 -7.550 1.00 41.29 C +ATOM 1954 CD2 TYR A1013 -22.473 -0.014 -8.360 1.00 37.10 C +ATOM 1955 CE1 TYR A1013 -24.474 -0.330 -6.408 1.00 41.87 C +ATOM 1956 CE2 TYR A1013 -22.228 -0.809 -7.225 1.00 38.57 C +ATOM 1957 CZ TYR A1013 -23.222 -0.953 -6.240 1.00 45.11 C +ATOM 1958 OH TYR A1013 -22.967 -1.691 -5.121 1.00 46.37 O +ATOM 1959 H TYR A1013 -23.608 3.331 -11.463 1.00 31.58 H +ATOM 1960 HA TYR A1013 -24.737 3.335 -8.846 1.00 32.97 H +ATOM 1961 HB3 TYR A1013 -23.222 1.285 -10.484 1.00 34.46 H +ATOM 1962 HB2 TYR A1013 -24.924 1.341 -10.144 1.00 34.46 H +ATOM 1963 HD1 TYR A1013 -25.678 0.949 -7.665 1.00 41.29 H +ATOM 1964 HD2 TYR A1013 -21.701 0.117 -9.101 1.00 37.10 H +ATOM 1965 HE1 TYR A1013 -25.242 -0.441 -5.657 1.00 41.87 H +ATOM 1966 HE2 TYR A1013 -21.274 -1.301 -7.114 1.00 38.57 H +ATOM 1967 HH TYR A1013 -23.707 -1.720 -4.509 1.00 46.37 H +ATOM 1968 N LEU A1014 -21.418 3.454 -9.010 1.00 29.93 N +ATOM 1969 CA LEU A1014 -20.185 3.776 -8.283 1.00 29.88 C +ATOM 1970 C LEU A1014 -20.253 5.139 -7.564 1.00 33.60 C +ATOM 1971 O LEU A1014 -19.828 5.237 -6.413 1.00 34.49 O +ATOM 1972 CB LEU A1014 -18.993 3.704 -9.268 1.00 29.28 C +ATOM 1973 CG LEU A1014 -17.594 3.877 -8.637 1.00 33.67 C +ATOM 1974 CD1 LEU A1014 -17.231 2.683 -7.740 1.00 34.68 C +ATOM 1975 CD2 LEU A1014 -16.520 4.112 -9.712 1.00 34.91 C +ATOM 1976 H LEU A1014 -21.314 3.276 -10.000 1.00 29.93 H +ATOM 1977 HA LEU A1014 -20.058 3.004 -7.523 1.00 29.88 H +ATOM 1978 HB3 LEU A1014 -19.127 4.478 -10.024 1.00 29.28 H +ATOM 1979 HB2 LEU A1014 -19.021 2.757 -9.810 1.00 29.28 H +ATOM 1980 HG LEU A1014 -17.589 4.772 -8.018 1.00 33.67 H +ATOM 1981 HD11 LEU A1014 -16.172 2.680 -7.479 1.00 34.68 H +ATOM 1982 HD12 LEU A1014 -17.791 2.707 -6.807 1.00 34.68 H +ATOM 1983 HD13 LEU A1014 -17.457 1.738 -8.233 1.00 34.68 H +ATOM 1984 HD21 LEU A1014 -15.641 3.483 -9.571 1.00 34.91 H +ATOM 1985 HD22 LEU A1014 -16.897 3.912 -10.714 1.00 34.91 H +ATOM 1986 HD23 LEU A1014 -16.182 5.149 -9.692 1.00 34.91 H +ATOM 1987 N HIS A1015 -20.827 6.143 -8.248 1.00 30.39 N +ATOM 1988 CA HIS A1015 -21.031 7.501 -7.741 1.00 30.40 C +ATOM 1989 C HIS A1015 -22.165 7.606 -6.710 1.00 37.10 C +ATOM 1990 O HIS A1015 -22.065 8.442 -5.812 1.00 37.94 O +ATOM 1991 CB HIS A1015 -21.278 8.449 -8.927 1.00 29.83 C +ATOM 1992 CG HIS A1015 -20.090 8.679 -9.827 1.00 31.72 C +ATOM 1993 ND1 HIS A1015 -20.081 9.704 -10.775 1.00 32.83 N +ATOM 1994 CD2 HIS A1015 -18.884 8.009 -9.891 1.00 32.40 C +ATOM 1995 CE1 HIS A1015 -18.891 9.622 -11.349 1.00 31.99 C +ATOM 1996 NE2 HIS A1015 -18.136 8.645 -10.858 1.00 31.94 N +ATOM 1997 H HIS A1015 -21.146 5.973 -9.192 1.00 30.39 H +ATOM 1998 HA HIS A1015 -20.120 7.823 -7.232 1.00 30.40 H +ATOM 1999 HB3 HIS A1015 -21.602 9.425 -8.563 1.00 29.83 H +ATOM 2000 HB2 HIS A1015 -22.092 8.068 -9.545 1.00 29.83 H +ATOM 2001 HD2 HIS A1015 -18.502 7.162 -9.341 1.00 32.40 H +ATOM 2002 HE1 HIS A1015 -18.579 10.265 -12.152 1.00 31.99 H +ATOM 2003 HE2 HIS A1015 -17.182 8.429 -11.127 1.00 31.94 H +ATOM 2004 N ALA A1016 -23.190 6.741 -6.824 1.00 34.33 N +ATOM 2005 CA ALA A1016 -24.267 6.595 -5.841 1.00 35.70 C +ATOM 2006 C ALA A1016 -23.801 5.921 -4.536 1.00 40.39 C +ATOM 2007 O ALA A1016 -24.346 6.233 -3.479 1.00 42.00 O +ATOM 2008 CB ALA A1016 -25.434 5.825 -6.476 1.00 36.70 C +ATOM 2009 H ALA A1016 -23.209 6.096 -7.602 1.00 34.33 H +ATOM 2010 HA ALA A1016 -24.627 7.594 -5.586 1.00 35.70 H +ATOM 2011 HB1 ALA A1016 -26.271 5.737 -5.782 1.00 36.70 H +ATOM 2012 HB2 ALA A1016 -25.803 6.336 -7.366 1.00 36.70 H +ATOM 2013 HB3 ALA A1016 -25.143 4.816 -6.770 1.00 36.70 H +ATOM 2014 N GLN A1017 -22.767 5.063 -4.626 1.00 37.13 N +ATOM 2015 CA GLN A1017 -22.025 4.502 -3.492 1.00 37.34 C +ATOM 2016 C GLN A1017 -20.950 5.464 -2.933 1.00 40.83 C +ATOM 2017 O GLN A1017 -20.252 5.093 -1.990 1.00 41.85 O +ATOM 2018 CB GLN A1017 -21.404 3.143 -3.909 1.00 37.57 C +ATOM 2019 CG GLN A1017 -22.404 2.021 -4.263 1.00 50.69 C +ATOM 2020 CD GLN A1017 -23.424 1.726 -3.164 1.00 63.42 C +ATOM 2021 OE1 GLN A1017 -23.054 1.402 -2.039 1.00 61.45 O +ATOM 2022 NE2 GLN A1017 -24.714 1.821 -3.490 1.00 53.50 N +ATOM 2023 H GLN A1017 -22.399 4.842 -5.542 1.00 37.13 H +ATOM 2024 HA GLN A1017 -22.720 4.334 -2.669 1.00 37.34 H +ATOM 2025 HB3 GLN A1017 -20.764 2.775 -3.106 1.00 37.57 H +ATOM 2026 HB2 GLN A1017 -20.745 3.294 -4.764 1.00 37.57 H +ATOM 2027 HG3 GLN A1017 -21.855 1.102 -4.472 1.00 50.69 H +ATOM 2028 HG2 GLN A1017 -22.936 2.263 -5.178 1.00 50.69 H +ATOM 2029 HE22 GLN A1017 -25.424 1.636 -2.796 1.00 53.50 H +ATOM 2030 HE21 GLN A1017 -24.988 2.094 -4.423 1.00 53.50 H +ATOM 2031 N HIS A1018 -20.848 6.678 -3.506 1.00 43.65 N +ATOM 2032 CA HIS A1018 -19.961 7.779 -3.121 1.00 42.72 C +ATOM 2033 C HIS A1018 -18.462 7.498 -3.335 1.00 42.39 C +ATOM 2034 O HIS A1018 -17.635 7.945 -2.541 1.00 42.28 O +ATOM 2035 CB HIS A1018 -20.305 8.328 -1.715 1.00 46.64 C +ATOM 2036 CG HIS A1018 -21.668 8.967 -1.627 1.00 52.37 C +ATOM 2037 ND1 HIS A1018 -21.918 10.258 -2.062 1.00 54.35 N +ATOM 2038 CD2 HIS A1018 -22.868 8.502 -1.136 1.00 56.51 C +ATOM 2039 CE1 HIS A1018 -23.208 10.508 -1.829 1.00 55.92 C +ATOM 2040 NE2 HIS A1018 -23.848 9.488 -1.270 1.00 57.64 N +ATOM 2041 H HIS A1018 -21.476 6.893 -4.269 1.00 43.65 H +ATOM 2042 HA HIS A1018 -20.187 8.568 -3.836 1.00 42.72 H +ATOM 2043 HB3 HIS A1018 -19.590 9.093 -1.418 1.00 46.64 H +ATOM 2044 HB2 HIS A1018 -20.233 7.546 -0.960 1.00 46.64 H +ATOM 2045 HD1 HIS A1018 -21.251 10.902 -2.469 1.00 54.35 H +ATOM 2046 HD2 HIS A1018 -23.101 7.539 -0.705 1.00 56.51 H +ATOM 2047 HE1 HIS A1018 -23.682 11.449 -2.069 1.00 55.92 H +ATOM 2048 N TYR A1019 -18.143 6.799 -4.435 1.00 35.47 N +ATOM 2049 CA TYR A1019 -16.778 6.548 -4.893 1.00 33.30 C +ATOM 2050 C TYR A1019 -16.547 7.208 -6.261 1.00 34.14 C +ATOM 2051 O TYR A1019 -17.477 7.333 -7.055 1.00 33.14 O +ATOM 2052 CB TYR A1019 -16.541 5.029 -5.016 1.00 34.28 C +ATOM 2053 CG TYR A1019 -16.655 4.219 -3.737 1.00 38.78 C +ATOM 2054 CD1 TYR A1019 -15.679 4.343 -2.728 1.00 41.85 C +ATOM 2055 CD2 TYR A1019 -17.719 3.310 -3.565 1.00 40.74 C +ATOM 2056 CE1 TYR A1019 -15.775 3.578 -1.550 1.00 44.99 C +ATOM 2057 CE2 TYR A1019 -17.803 2.527 -2.397 1.00 43.80 C +ATOM 2058 CZ TYR A1019 -16.830 2.660 -1.388 1.00 51.67 C +ATOM 2059 OH TYR A1019 -16.905 1.896 -0.259 1.00 54.79 O +ATOM 2060 H TYR A1019 -18.877 6.456 -5.041 1.00 35.47 H +ATOM 2061 HA TYR A1019 -16.062 6.962 -4.186 1.00 33.30 H +ATOM 2062 HB3 TYR A1019 -15.546 4.842 -5.425 1.00 34.28 H +ATOM 2063 HB2 TYR A1019 -17.242 4.622 -5.740 1.00 34.28 H +ATOM 2064 HD1 TYR A1019 -14.849 5.018 -2.862 1.00 41.85 H +ATOM 2065 HD2 TYR A1019 -18.467 3.204 -4.334 1.00 40.74 H +ATOM 2066 HE1 TYR A1019 -15.020 3.679 -0.784 1.00 44.99 H +ATOM 2067 HE2 TYR A1019 -18.613 1.822 -2.279 1.00 43.80 H +ATOM 2068 HH TYR A1019 -16.208 2.090 0.372 1.00 54.79 H +ATOM 2069 N ILE A1020 -15.278 7.546 -6.519 1.00 29.77 N +ATOM 2070 CA ILE A1020 -14.725 7.909 -7.826 1.00 28.07 C +ATOM 2071 C ILE A1020 -13.739 6.808 -8.264 1.00 32.77 C +ATOM 2072 O ILE A1020 -13.136 6.167 -7.402 1.00 34.18 O +ATOM 2073 CB ILE A1020 -13.969 9.271 -7.765 1.00 30.74 C +ATOM 2074 CG1 ILE A1020 -12.971 9.371 -6.579 1.00 31.83 C +ATOM 2075 CG2 ILE A1020 -14.985 10.428 -7.776 1.00 31.74 C +ATOM 2076 CD1 ILE A1020 -12.098 10.628 -6.551 1.00 34.37 C +ATOM 2077 H ILE A1020 -14.587 7.409 -5.792 1.00 29.77 H +ATOM 2078 HA ILE A1020 -15.525 7.963 -8.567 1.00 28.07 H +ATOM 2079 HB ILE A1020 -13.384 9.371 -8.681 1.00 30.74 H +ATOM 2080 HG13 ILE A1020 -12.303 8.511 -6.574 1.00 31.83 H +ATOM 2081 HG12 ILE A1020 -13.513 9.327 -5.639 1.00 31.83 H +ATOM 2082 HG21 ILE A1020 -14.500 11.403 -7.805 1.00 31.74 H +ATOM 2083 HG22 ILE A1020 -15.629 10.370 -8.655 1.00 31.74 H +ATOM 2084 HG23 ILE A1020 -15.631 10.399 -6.899 1.00 31.74 H +ATOM 2085 HD11 ILE A1020 -11.383 10.572 -5.731 1.00 34.37 H +ATOM 2086 HD12 ILE A1020 -11.528 10.724 -7.470 1.00 34.37 H +ATOM 2087 HD13 ILE A1020 -12.687 11.534 -6.412 1.00 34.37 H +ATOM 2088 N HIS A1021 -13.615 6.586 -9.584 1.00 29.57 N +ATOM 2089 CA HIS A1021 -12.789 5.519 -10.159 1.00 28.01 C +ATOM 2090 C HIS A1021 -11.325 5.941 -10.350 1.00 30.31 C +ATOM 2091 O HIS A1021 -10.439 5.176 -9.977 1.00 28.41 O +ATOM 2092 CB HIS A1021 -13.408 5.026 -11.483 1.00 27.19 C +ATOM 2093 CG HIS A1021 -12.865 3.702 -11.963 1.00 29.30 C +ATOM 2094 ND1 HIS A1021 -11.689 3.600 -12.708 1.00 30.35 N +ATOM 2095 CD2 HIS A1021 -13.372 2.436 -11.765 1.00 30.30 C +ATOM 2096 CE1 HIS A1021 -11.528 2.303 -12.926 1.00 29.49 C +ATOM 2097 NE2 HIS A1021 -12.492 1.563 -12.380 1.00 29.77 N +ATOM 2098 H HIS A1021 -14.127 7.166 -10.239 1.00 29.57 H +ATOM 2099 HA HIS A1021 -12.807 4.674 -9.466 1.00 28.01 H +ATOM 2100 HB3 HIS A1021 -13.281 5.766 -12.275 1.00 27.19 H +ATOM 2101 HB2 HIS A1021 -14.480 4.899 -11.363 1.00 27.19 H +ATOM 2102 HD2 HIS A1021 -14.257 2.098 -11.249 1.00 30.30 H +ATOM 2103 HE1 HIS A1021 -10.699 1.885 -13.478 1.00 29.49 H +ATOM 2104 HE2 HIS A1021 -12.556 0.555 -12.415 1.00 29.77 H +ATOM 2105 N ARG A1022 -11.098 7.129 -10.941 1.00 26.88 N +ATOM 2106 CA ARG A1022 -9.786 7.728 -11.236 1.00 26.62 C +ATOM 2107 C ARG A1022 -8.910 6.986 -12.274 1.00 29.84 C +ATOM 2108 O ARG A1022 -7.772 7.406 -12.481 1.00 30.79 O +ATOM 2109 CB ARG A1022 -8.983 8.005 -9.943 1.00 26.30 C +ATOM 2110 CG ARG A1022 -9.681 8.927 -8.922 1.00 34.16 C +ATOM 2111 CD ARG A1022 -8.869 9.218 -7.642 1.00 40.37 C +ATOM 2112 NE ARG A1022 -7.497 9.677 -7.934 1.00 53.37 N +ATOM 2113 CZ ARG A1022 -6.339 9.257 -7.389 1.00 66.01 C +ATOM 2114 NH1 ARG A1022 -6.295 8.374 -6.380 1.00 50.08 N +ATOM 2115 NH2 ARG A1022 -5.188 9.728 -7.884 1.00 58.24 N1+ +ATOM 2116 H ARG A1022 -11.897 7.674 -11.242 1.00 26.88 H +ATOM 2117 HA ARG A1022 -10.005 8.689 -11.696 1.00 26.62 H +ATOM 2118 HB3 ARG A1022 -8.042 8.474 -10.228 1.00 26.30 H +ATOM 2119 HB2 ARG A1022 -8.704 7.067 -9.470 1.00 26.30 H +ATOM 2120 HG3 ARG A1022 -10.573 8.388 -8.600 1.00 34.16 H +ATOM 2121 HG2 ARG A1022 -10.042 9.846 -9.375 1.00 34.16 H +ATOM 2122 HD3 ARG A1022 -8.961 8.430 -6.897 1.00 40.37 H +ATOM 2123 HD2 ARG A1022 -9.306 10.100 -7.175 1.00 40.37 H +ATOM 2124 HE ARG A1022 -7.435 10.345 -8.690 1.00 53.37 H +ATOM 2125 HH12 ARG A1022 -5.412 8.059 -6.008 1.00 50.08 H +ATOM 2126 HH11 ARG A1022 -7.151 7.943 -6.061 1.00 50.08 H +ATOM 2127 HH22 ARG A1022 -4.302 9.408 -7.521 1.00 58.24 H +ATOM 2128 HH21 ARG A1022 -5.192 10.362 -8.671 1.00 58.24 H +ATOM 2129 N ASN A1023 -9.426 5.933 -12.929 1.00 25.28 N +ATOM 2130 CA ASN A1023 -8.676 5.139 -13.906 1.00 24.95 C +ATOM 2131 C ASN A1023 -9.606 4.578 -14.997 1.00 27.49 C +ATOM 2132 O ASN A1023 -9.399 3.452 -15.443 1.00 27.32 O +ATOM 2133 CB ASN A1023 -7.876 4.024 -13.172 1.00 27.86 C +ATOM 2134 CG ASN A1023 -6.623 3.507 -13.895 1.00 46.94 C +ATOM 2135 OD1 ASN A1023 -6.226 4.007 -14.945 1.00 37.71 O +ATOM 2136 ND2 ASN A1023 -5.995 2.476 -13.325 1.00 47.99 N +ATOM 2137 H ASN A1023 -10.369 5.627 -12.734 1.00 25.28 H +ATOM 2138 HA ASN A1023 -7.998 5.774 -14.478 1.00 24.95 H +ATOM 2139 HB3 ASN A1023 -8.526 3.188 -12.912 1.00 27.86 H +ATOM 2140 HB2 ASN A1023 -7.510 4.415 -12.225 1.00 27.86 H +ATOM 2141 HD22 ASN A1023 -5.174 2.080 -13.759 1.00 47.99 H +ATOM 2142 HD21 ASN A1023 -6.349 2.063 -12.474 1.00 47.99 H +ATOM 2143 N LEU A1024 -10.638 5.337 -15.402 1.00 23.70 N +ATOM 2144 CA LEU A1024 -11.607 4.888 -16.402 1.00 23.85 C +ATOM 2145 C LEU A1024 -11.010 5.011 -17.818 1.00 29.77 C +ATOM 2146 O LEU A1024 -10.776 6.121 -18.295 1.00 30.30 O +ATOM 2147 CB LEU A1024 -12.937 5.645 -16.204 1.00 23.60 C +ATOM 2148 CG LEU A1024 -14.121 5.127 -17.049 1.00 28.86 C +ATOM 2149 CD1 LEU A1024 -14.496 3.663 -16.728 1.00 29.18 C +ATOM 2150 CD2 LEU A1024 -15.331 6.053 -16.873 1.00 32.57 C +ATOM 2151 H LEU A1024 -10.775 6.263 -15.014 1.00 23.70 H +ATOM 2152 HA LEU A1024 -11.807 3.832 -16.209 1.00 23.85 H +ATOM 2153 HB3 LEU A1024 -12.781 6.701 -16.416 1.00 23.60 H +ATOM 2154 HB2 LEU A1024 -13.218 5.597 -15.151 1.00 23.60 H +ATOM 2155 HG LEU A1024 -13.844 5.175 -18.102 1.00 28.86 H +ATOM 2156 HD11 LEU A1024 -15.563 3.544 -16.539 1.00 29.18 H +ATOM 2157 HD12 LEU A1024 -14.239 3.005 -17.558 1.00 29.18 H +ATOM 2158 HD13 LEU A1024 -13.984 3.290 -15.841 1.00 29.18 H +ATOM 2159 HD21 LEU A1024 -16.208 5.667 -17.393 1.00 32.57 H +ATOM 2160 HD22 LEU A1024 -15.589 6.176 -15.821 1.00 32.57 H +ATOM 2161 HD23 LEU A1024 -15.117 7.044 -17.269 1.00 32.57 H +ATOM 2162 N ALA A1025 -10.753 3.847 -18.432 1.00 25.59 N +ATOM 2163 CA ALA A1025 -10.110 3.677 -19.735 1.00 24.45 C +ATOM 2164 C ALA A1025 -10.485 2.297 -20.301 1.00 24.35 C +ATOM 2165 O ALA A1025 -10.935 1.437 -19.542 1.00 23.60 O +ATOM 2166 CB ALA A1025 -8.589 3.821 -19.572 1.00 25.60 C +ATOM 2167 H ALA A1025 -10.996 2.984 -17.966 1.00 25.59 H +ATOM 2168 HA ALA A1025 -10.463 4.444 -20.425 1.00 24.45 H +ATOM 2169 HB1 ALA A1025 -8.106 3.875 -20.545 1.00 25.60 H +ATOM 2170 HB2 ALA A1025 -8.325 4.734 -19.036 1.00 25.60 H +ATOM 2171 HB3 ALA A1025 -8.156 2.979 -19.033 1.00 25.60 H +ATOM 2172 N ALA A1026 -10.279 2.090 -21.614 1.00 21.93 N +ATOM 2173 CA ALA A1026 -10.592 0.832 -22.313 1.00 22.59 C +ATOM 2174 C ALA A1026 -9.770 -0.391 -21.853 1.00 27.08 C +ATOM 2175 O ALA A1026 -10.254 -1.515 -21.983 1.00 26.36 O +ATOM 2176 CB ALA A1026 -10.448 1.041 -23.824 1.00 24.44 C +ATOM 2177 H ALA A1026 -9.903 2.836 -22.187 1.00 21.93 H +ATOM 2178 HA ALA A1026 -11.640 0.605 -22.111 1.00 22.59 H +ATOM 2179 HB1 ALA A1026 -10.740 0.144 -24.372 1.00 24.44 H +ATOM 2180 HB2 ALA A1026 -11.086 1.855 -24.170 1.00 24.44 H +ATOM 2181 HB3 ALA A1026 -9.420 1.279 -24.102 1.00 24.44 H +ATOM 2182 N ARG A1027 -8.571 -0.153 -21.289 1.00 25.25 N +ATOM 2183 CA ARG A1027 -7.742 -1.138 -20.582 1.00 25.45 C +ATOM 2184 C ARG A1027 -8.429 -1.703 -19.324 1.00 28.29 C +ATOM 2185 O ARG A1027 -8.246 -2.876 -18.998 1.00 27.42 O +ATOM 2186 CB ARG A1027 -6.412 -0.445 -20.204 1.00 27.95 C +ATOM 2187 CG ARG A1027 -5.398 -1.307 -19.418 1.00 42.70 C +ATOM 2188 CD ARG A1027 -4.136 -0.534 -18.994 1.00 56.67 C +ATOM 2189 NE ARG A1027 -3.254 -0.207 -20.133 1.00 69.04 N +ATOM 2190 CZ ARG A1027 -2.490 0.890 -20.306 1.00 82.45 C +ATOM 2191 NH1 ARG A1027 -1.728 0.976 -21.403 1.00 58.12 N +ATOM 2192 NH2 ARG A1027 -2.459 1.900 -19.422 1.00 78.84 N1+ +ATOM 2193 H ARG A1027 -8.231 0.799 -21.264 1.00 25.25 H +ATOM 2194 HA ARG A1027 -7.533 -1.966 -21.261 1.00 25.45 H +ATOM 2195 HB3 ARG A1027 -6.641 0.439 -19.605 1.00 27.95 H +ATOM 2196 HB2 ARG A1027 -5.939 -0.068 -21.108 1.00 27.95 H +ATOM 2197 HG3 ARG A1027 -5.110 -2.131 -20.072 1.00 42.70 H +ATOM 2198 HG2 ARG A1027 -5.829 -1.774 -18.533 1.00 42.70 H +ATOM 2199 HD3 ARG A1027 -3.599 -1.050 -18.197 1.00 56.67 H +ATOM 2200 HD2 ARG A1027 -4.475 0.408 -18.564 1.00 56.67 H +ATOM 2201 HE ARG A1027 -3.200 -0.927 -20.839 1.00 69.04 H +ATOM 2202 HH12 ARG A1027 -1.140 1.783 -21.554 1.00 58.12 H +ATOM 2203 HH11 ARG A1027 -1.724 0.229 -22.083 1.00 58.12 H +ATOM 2204 HH22 ARG A1027 -1.876 2.709 -19.577 1.00 78.84 H +ATOM 2205 HH21 ARG A1027 -3.018 1.846 -18.582 1.00 78.84 H +ATOM 2206 N ASN A1028 -9.183 -0.832 -18.640 1.00 25.48 N +ATOM 2207 CA ASN A1028 -9.817 -1.069 -17.344 1.00 25.69 C +ATOM 2208 C ASN A1028 -11.308 -1.430 -17.486 1.00 31.11 C +ATOM 2209 O ASN A1028 -11.981 -1.539 -16.464 1.00 31.65 O +ATOM 2210 CB ASN A1028 -9.606 0.183 -16.457 1.00 25.12 C +ATOM 2211 CG ASN A1028 -8.121 0.492 -16.223 1.00 40.47 C +ATOM 2212 OD1 ASN A1028 -7.429 -0.258 -15.546 1.00 35.79 O +ATOM 2213 ND2 ASN A1028 -7.614 1.589 -16.784 1.00 30.20 N +ATOM 2214 H ASN A1028 -9.310 0.097 -19.016 1.00 25.48 H +ATOM 2215 HA ASN A1028 -9.340 -1.919 -16.854 1.00 25.69 H +ATOM 2216 HB3 ASN A1028 -10.060 0.035 -15.477 1.00 25.12 H +ATOM 2217 HB2 ASN A1028 -10.102 1.051 -16.894 1.00 25.12 H +ATOM 2218 HD22 ASN A1028 -6.648 1.838 -16.627 1.00 30.20 H +ATOM 2219 HD21 ASN A1028 -8.211 2.227 -17.289 1.00 30.20 H +ATOM 2220 N VAL A1029 -11.798 -1.634 -18.722 1.00 26.95 N +ATOM 2221 CA VAL A1029 -13.137 -2.148 -19.002 1.00 26.70 C +ATOM 2222 C VAL A1029 -12.981 -3.497 -19.724 1.00 31.33 C +ATOM 2223 O VAL A1029 -12.359 -3.563 -20.784 1.00 31.48 O +ATOM 2224 CB VAL A1029 -13.977 -1.177 -19.877 1.00 30.65 C +ATOM 2225 CG1 VAL A1029 -15.345 -1.763 -20.277 1.00 31.45 C +ATOM 2226 CG2 VAL A1029 -14.210 0.161 -19.151 1.00 29.49 C +ATOM 2227 H VAL A1029 -11.191 -1.521 -19.521 1.00 26.95 H +ATOM 2228 HA VAL A1029 -13.685 -2.315 -18.073 1.00 26.70 H +ATOM 2229 HB VAL A1029 -13.421 -0.962 -20.792 1.00 30.65 H +ATOM 2230 HG11 VAL A1029 -15.933 -1.046 -20.849 1.00 31.45 H +ATOM 2231 HG12 VAL A1029 -15.249 -2.656 -20.890 1.00 31.45 H +ATOM 2232 HG13 VAL A1029 -15.920 -2.034 -19.392 1.00 31.45 H +ATOM 2233 HG21 VAL A1029 -14.742 0.866 -19.787 1.00 29.49 H +ATOM 2234 HG22 VAL A1029 -14.798 0.020 -18.244 1.00 29.49 H +ATOM 2235 HG23 VAL A1029 -13.276 0.637 -18.861 1.00 29.49 H +ATOM 2236 N LEU A1030 -13.546 -4.536 -19.098 1.00 29.26 N +ATOM 2237 CA LEU A1030 -13.436 -5.943 -19.459 1.00 29.87 C +ATOM 2238 C LEU A1030 -14.734 -6.418 -20.127 1.00 34.28 C +ATOM 2239 O LEU A1030 -15.816 -5.980 -19.744 1.00 33.78 O +ATOM 2240 CB LEU A1030 -13.148 -6.758 -18.176 1.00 30.51 C +ATOM 2241 CG LEU A1030 -11.951 -6.266 -17.329 1.00 34.35 C +ATOM 2242 CD1 LEU A1030 -11.872 -7.047 -16.005 1.00 34.54 C +ATOM 2243 CD2 LEU A1030 -10.623 -6.313 -18.110 1.00 35.67 C +ATOM 2244 H LEU A1030 -14.086 -4.359 -18.259 1.00 29.26 H +ATOM 2245 HA LEU A1030 -12.621 -6.087 -20.160 1.00 29.87 H +ATOM 2246 HB3 LEU A1030 -12.979 -7.800 -18.451 1.00 30.51 H +ATOM 2247 HB2 LEU A1030 -14.036 -6.746 -17.542 1.00 30.51 H +ATOM 2248 HG LEU A1030 -12.117 -5.226 -17.045 1.00 34.35 H +ATOM 2249 HD11 LEU A1030 -10.872 -7.030 -15.574 1.00 34.54 H +ATOM 2250 HD12 LEU A1030 -12.543 -6.611 -15.265 1.00 34.54 H +ATOM 2251 HD13 LEU A1030 -12.159 -8.091 -16.136 1.00 34.54 H +ATOM 2252 HD21 LEU A1030 -9.806 -6.731 -17.525 1.00 35.67 H +ATOM 2253 HD22 LEU A1030 -10.705 -6.922 -19.009 1.00 35.67 H +ATOM 2254 HD23 LEU A1030 -10.318 -5.312 -18.416 1.00 35.67 H +ATOM 2255 N LEU A1031 -14.594 -7.316 -21.109 1.00 30.49 N +ATOM 2256 CA LEU A1031 -15.677 -7.861 -21.919 1.00 32.51 C +ATOM 2257 C LEU A1031 -15.990 -9.288 -21.446 1.00 35.33 C +ATOM 2258 O LEU A1031 -15.112 -10.149 -21.506 1.00 35.33 O +ATOM 2259 CB LEU A1031 -15.207 -7.837 -23.390 1.00 33.91 C +ATOM 2260 CG LEU A1031 -16.300 -8.165 -24.428 1.00 41.72 C +ATOM 2261 CD1 LEU A1031 -17.356 -7.057 -24.515 1.00 42.04 C +ATOM 2262 CD2 LEU A1031 -15.694 -8.428 -25.814 1.00 45.52 C +ATOM 2263 H LEU A1031 -13.666 -7.633 -21.362 1.00 30.49 H +ATOM 2264 HA LEU A1031 -16.569 -7.239 -21.820 1.00 32.51 H +ATOM 2265 HB3 LEU A1031 -14.372 -8.530 -23.503 1.00 33.91 H +ATOM 2266 HB2 LEU A1031 -14.790 -6.856 -23.620 1.00 33.91 H +ATOM 2267 HG LEU A1031 -16.798 -9.086 -24.124 1.00 41.72 H +ATOM 2268 HD11 LEU A1031 -17.955 -7.171 -25.417 1.00 42.04 H +ATOM 2269 HD12 LEU A1031 -18.043 -7.098 -23.674 1.00 42.04 H +ATOM 2270 HD13 LEU A1031 -16.904 -6.066 -24.534 1.00 42.04 H +ATOM 2271 HD21 LEU A1031 -16.150 -9.298 -26.285 1.00 45.52 H +ATOM 2272 HD22 LEU A1031 -15.842 -7.583 -26.487 1.00 45.52 H +ATOM 2273 HD23 LEU A1031 -14.622 -8.613 -25.760 1.00 45.52 H +ATOM 2274 N ASP A1032 -17.228 -9.514 -20.982 1.00 33.70 N +ATOM 2275 CA ASP A1032 -17.709 -10.826 -20.541 1.00 35.49 C +ATOM 2276 C ASP A1032 -18.164 -11.660 -21.752 1.00 42.98 C +ATOM 2277 O ASP A1032 -17.723 -12.797 -21.919 1.00 43.01 O +ATOM 2278 CB ASP A1032 -18.819 -10.678 -19.473 1.00 38.24 C +ATOM 2279 CG ASP A1032 -19.217 -11.988 -18.778 1.00 57.45 C +ATOM 2280 OD1 ASP A1032 -20.169 -12.637 -19.267 1.00 62.50 O +ATOM 2281 OD2 ASP A1032 -18.464 -12.390 -17.864 1.00 62.05 O1- +ATOM 2282 H ASP A1032 -17.906 -8.763 -20.973 1.00 33.70 H +ATOM 2283 HA ASP A1032 -16.876 -11.357 -20.081 1.00 35.49 H +ATOM 2284 HB3 ASP A1032 -19.699 -10.215 -19.919 1.00 38.24 H +ATOM 2285 HB2 ASP A1032 -18.494 -9.964 -18.715 1.00 38.24 H +ATOM 2286 N ASN A1033 -19.010 -11.038 -22.584 1.00 43.24 N +ATOM 2287 CA ASN A1033 -19.497 -11.544 -23.865 1.00 46.44 C +ATOM 2288 C ASN A1033 -19.762 -10.349 -24.795 1.00 51.69 C +ATOM 2289 O ASN A1033 -19.558 -9.204 -24.393 1.00 49.09 O +ATOM 2290 CB ASN A1033 -20.705 -12.501 -23.670 1.00 48.31 C +ATOM 2291 CG ASN A1033 -21.949 -11.872 -23.030 1.00 66.28 C +ATOM 2292 OD1 ASN A1033 -22.672 -11.112 -23.673 1.00 59.86 O +ATOM 2293 ND2 ASN A1033 -22.216 -12.201 -21.765 1.00 59.92 N +ATOM 2294 H ASN A1033 -19.290 -10.090 -22.372 1.00 43.24 H +ATOM 2295 HA ASN A1033 -18.695 -12.118 -24.328 1.00 46.44 H +ATOM 2296 HB3 ASN A1033 -20.392 -13.356 -23.068 1.00 48.31 H +ATOM 2297 HB2 ASN A1033 -21.003 -12.919 -24.632 1.00 48.31 H +ATOM 2298 HD22 ASN A1033 -23.031 -11.823 -21.306 1.00 59.92 H +ATOM 2299 HD21 ASN A1033 -21.587 -12.794 -21.239 1.00 59.92 H +ATOM 2300 N ASP A1034 -20.221 -10.630 -26.026 1.00 52.34 N +ATOM 2301 CA ASP A1034 -20.534 -9.638 -27.066 1.00 53.71 C +ATOM 2302 C ASP A1034 -21.498 -8.509 -26.638 1.00 56.50 C +ATOM 2303 O ASP A1034 -21.382 -7.409 -27.172 1.00 55.06 O +ATOM 2304 CB ASP A1034 -20.993 -10.260 -28.421 1.00 59.25 C +ATOM 2305 CG ASP A1034 -21.928 -11.488 -28.397 1.00 77.62 C +ATOM 2306 OD1 ASP A1034 -22.642 -11.701 -27.391 1.00 79.51 O +ATOM 2307 OD2 ASP A1034 -22.012 -12.132 -29.466 1.00 88.40 O1- +ATOM 2308 H ASP A1034 -20.404 -11.591 -26.277 1.00 52.34 H +ATOM 2309 HA ASP A1034 -19.581 -9.145 -27.267 1.00 53.71 H +ATOM 2310 HB3 ASP A1034 -20.101 -10.523 -28.992 1.00 59.25 H +ATOM 2311 HB2 ASP A1034 -21.502 -9.504 -29.021 1.00 59.25 H +ATOM 2312 N ARG A1035 -22.409 -8.787 -25.690 1.00 52.42 N +ATOM 2313 CA ARG A1035 -23.441 -7.861 -25.218 1.00 52.12 C +ATOM 2314 C ARG A1035 -23.328 -7.544 -23.710 1.00 53.91 C +ATOM 2315 O ARG A1035 -24.309 -7.055 -23.149 1.00 54.42 O +ATOM 2316 CB ARG A1035 -24.837 -8.437 -25.576 1.00 56.06 C +ATOM 2317 CG ARG A1035 -25.108 -8.714 -27.070 1.00 68.03 C +ATOM 2318 CD ARG A1035 -24.828 -7.517 -27.996 1.00 74.26 C +ATOM 2319 NE ARG A1035 -25.335 -7.729 -29.362 1.00 83.22 N +ATOM 2320 CZ ARG A1035 -26.539 -7.369 -29.847 1.00103.41 C +ATOM 2321 NH1 ARG A1035 -27.457 -6.739 -29.096 1.00 95.23 N +ATOM 2322 NH2 ARG A1035 -26.830 -7.652 -31.123 1.00 92.56 N1+ +ATOM 2323 H ARG A1035 -22.437 -9.717 -25.293 1.00 52.42 H +ATOM 2324 HA ARG A1035 -23.335 -6.896 -25.716 1.00 52.12 H +ATOM 2325 HB3 ARG A1035 -25.612 -7.749 -25.234 1.00 56.06 H +ATOM 2326 HB2 ARG A1035 -24.997 -9.361 -25.018 1.00 56.06 H +ATOM 2327 HG3 ARG A1035 -26.107 -9.122 -27.229 1.00 68.03 H +ATOM 2328 HG2 ARG A1035 -24.424 -9.514 -27.354 1.00 68.03 H +ATOM 2329 HD3 ARG A1035 -23.754 -7.453 -28.158 1.00 74.26 H +ATOM 2330 HD2 ARG A1035 -25.119 -6.565 -27.557 1.00 74.26 H +ATOM 2331 HE ARG A1035 -24.703 -8.223 -29.976 1.00 83.22 H +ATOM 2332 HH12 ARG A1035 -28.355 -6.483 -29.479 1.00 95.23 H +ATOM 2333 HH11 ARG A1035 -27.253 -6.528 -28.129 1.00 95.23 H +ATOM 2334 HH22 ARG A1035 -27.726 -7.401 -31.514 1.00 92.56 H +ATOM 2335 HH21 ARG A1035 -26.153 -8.124 -31.705 1.00 92.56 H +ATOM 2336 N LEU A1036 -22.168 -7.794 -23.070 1.00 47.46 N +ATOM 2337 CA LEU A1036 -21.963 -7.530 -21.640 1.00 44.95 C +ATOM 2338 C LEU A1036 -20.532 -7.050 -21.367 1.00 44.87 C +ATOM 2339 O LEU A1036 -19.578 -7.736 -21.731 1.00 44.01 O +ATOM 2340 CB LEU A1036 -22.332 -8.786 -20.814 1.00 46.48 C +ATOM 2341 CG LEU A1036 -22.174 -8.675 -19.276 1.00 50.35 C +ATOM 2342 CD1 LEU A1036 -22.966 -7.498 -18.672 1.00 50.69 C +ATOM 2343 CD2 LEU A1036 -22.525 -10.014 -18.595 1.00 54.50 C +ATOM 2344 H LEU A1036 -21.384 -8.186 -23.574 1.00 47.46 H +ATOM 2345 HA LEU A1036 -22.628 -6.719 -21.340 1.00 44.95 H +ATOM 2346 HB3 LEU A1036 -21.709 -9.609 -21.162 1.00 46.48 H +ATOM 2347 HB2 LEU A1036 -23.360 -9.070 -21.043 1.00 46.48 H +ATOM 2348 HG LEU A1036 -21.121 -8.491 -19.058 1.00 50.35 H +ATOM 2349 HD11 LEU A1036 -23.465 -7.756 -17.738 1.00 50.69 H +ATOM 2350 HD12 LEU A1036 -22.298 -6.667 -18.450 1.00 50.69 H +ATOM 2351 HD13 LEU A1036 -23.735 -7.132 -19.353 1.00 50.69 H +ATOM 2352 HD21 LEU A1036 -21.717 -10.344 -17.943 1.00 54.50 H +ATOM 2353 HD22 LEU A1036 -23.428 -9.954 -17.988 1.00 54.50 H +ATOM 2354 HD23 LEU A1036 -22.689 -10.811 -19.319 1.00 54.50 H +ATOM 2355 N VAL A1037 -20.435 -5.900 -20.682 1.00 38.25 N +ATOM 2356 CA VAL A1037 -19.194 -5.221 -20.316 1.00 36.27 C +ATOM 2357 C VAL A1037 -19.177 -4.931 -18.801 1.00 39.75 C +ATOM 2358 O VAL A1037 -20.235 -4.704 -18.213 1.00 42.27 O +ATOM 2359 CB VAL A1037 -19.040 -3.916 -21.169 1.00 39.78 C +ATOM 2360 CG1 VAL A1037 -18.996 -2.560 -20.436 1.00 38.54 C +ATOM 2361 CG2 VAL A1037 -17.853 -4.045 -22.131 1.00 38.84 C +ATOM 2362 H VAL A1037 -21.281 -5.417 -20.416 1.00 38.25 H +ATOM 2363 HA VAL A1037 -18.354 -5.889 -20.516 1.00 36.27 H +ATOM 2364 HB VAL A1037 -19.915 -3.841 -21.816 1.00 39.78 H +ATOM 2365 HG11 VAL A1037 -18.905 -1.748 -21.157 1.00 38.54 H +ATOM 2366 HG12 VAL A1037 -19.908 -2.380 -19.867 1.00 38.54 H +ATOM 2367 HG13 VAL A1037 -18.151 -2.488 -19.754 1.00 38.54 H +ATOM 2368 HG21 VAL A1037 -17.787 -3.179 -22.786 1.00 38.84 H +ATOM 2369 HG22 VAL A1037 -16.910 -4.145 -21.595 1.00 38.84 H +ATOM 2370 HG23 VAL A1037 -17.970 -4.920 -22.767 1.00 38.84 H +ATOM 2371 N LYS A1038 -17.973 -4.970 -18.206 1.00 33.36 N +ATOM 2372 CA LYS A1038 -17.714 -4.870 -16.768 1.00 33.06 C +ATOM 2373 C LYS A1038 -16.486 -3.993 -16.493 1.00 35.92 C +ATOM 2374 O LYS A1038 -15.441 -4.213 -17.097 1.00 35.20 O +ATOM 2375 CB LYS A1038 -17.475 -6.283 -16.197 1.00 36.83 C +ATOM 2376 CG LYS A1038 -18.744 -7.139 -16.085 1.00 43.54 C +ATOM 2377 CD LYS A1038 -18.416 -8.601 -15.754 1.00 43.25 C +ATOM 2378 CE LYS A1038 -19.659 -9.477 -15.519 1.00 48.33 C +ATOM 2379 NZ LYS A1038 -20.309 -9.187 -14.229 1.00 58.37 N1+ +ATOM 2380 H LYS A1038 -17.155 -5.165 -18.773 1.00 33.36 H +ATOM 2381 HA LYS A1038 -18.573 -4.421 -16.275 1.00 33.06 H +ATOM 2382 HB3 LYS A1038 -17.044 -6.209 -15.197 1.00 36.83 H +ATOM 2383 HB2 LYS A1038 -16.729 -6.798 -16.805 1.00 36.83 H +ATOM 2384 HG3 LYS A1038 -19.314 -7.112 -17.013 1.00 43.54 H +ATOM 2385 HG2 LYS A1038 -19.385 -6.707 -15.316 1.00 43.54 H +ATOM 2386 HD3 LYS A1038 -17.749 -8.636 -14.893 1.00 43.25 H +ATOM 2387 HD2 LYS A1038 -17.843 -9.029 -16.578 1.00 43.25 H +ATOM 2388 HE3 LYS A1038 -19.373 -10.530 -15.521 1.00 48.33 H +ATOM 2389 HE2 LYS A1038 -20.377 -9.339 -16.327 1.00 48.33 H +ATOM 2390 HZ1 LYS A1038 -20.572 -8.212 -14.193 1.00 58.37 H +ATOM 2391 HZ2 LYS A1038 -21.135 -9.761 -14.133 1.00 58.37 H +ATOM 2392 HZ3 LYS A1038 -19.658 -9.396 -13.483 1.00 58.37 H +ATOM 2393 N ILE A1039 -16.611 -3.053 -15.546 1.00 32.33 N +ATOM 2394 CA ILE A1039 -15.529 -2.170 -15.100 1.00 30.26 C +ATOM 2395 C ILE A1039 -14.622 -2.906 -14.087 1.00 36.96 C +ATOM 2396 O ILE A1039 -15.136 -3.503 -13.141 1.00 36.41 O +ATOM 2397 CB ILE A1039 -16.113 -0.894 -14.424 1.00 32.08 C +ATOM 2398 CG1 ILE A1039 -17.001 -0.081 -15.398 1.00 32.40 C +ATOM 2399 CG2 ILE A1039 -15.053 0.035 -13.791 1.00 30.46 C +ATOM 2400 CD1 ILE A1039 -18.035 0.795 -14.680 1.00 32.90 C +ATOM 2401 H ILE A1039 -17.503 -2.922 -15.087 1.00 32.33 H +ATOM 2402 HA ILE A1039 -14.934 -1.865 -15.964 1.00 30.26 H +ATOM 2403 HB ILE A1039 -16.755 -1.236 -13.612 1.00 32.08 H +ATOM 2404 HG13 ILE A1039 -17.549 -0.736 -16.074 1.00 32.40 H +ATOM 2405 HG12 ILE A1039 -16.376 0.539 -16.043 1.00 32.40 H +ATOM 2406 HG21 ILE A1039 -15.511 0.925 -13.361 1.00 30.46 H +ATOM 2407 HG22 ILE A1039 -14.506 -0.448 -12.982 1.00 30.46 H +ATOM 2408 HG23 ILE A1039 -14.325 0.366 -14.533 1.00 30.46 H +ATOM 2409 HD11 ILE A1039 -18.794 1.146 -15.378 1.00 32.90 H +ATOM 2410 HD12 ILE A1039 -18.547 0.245 -13.890 1.00 32.90 H +ATOM 2411 HD13 ILE A1039 -17.570 1.668 -14.227 1.00 32.90 H +ATOM 2412 N GLY A1040 -13.299 -2.832 -14.297 1.00 34.99 N +ATOM 2413 CA GLY A1040 -12.279 -3.441 -13.444 1.00 35.46 C +ATOM 2414 C GLY A1040 -11.235 -2.399 -13.018 1.00 40.57 C +ATOM 2415 O GLY A1040 -11.291 -1.237 -13.425 1.00 40.24 O +ATOM 2416 H GLY A1040 -12.953 -2.301 -15.088 1.00 34.99 H +ATOM 2417 HA3 GLY A1040 -11.793 -4.245 -13.996 1.00 35.46 H +ATOM 2418 HA2 GLY A1040 -12.711 -3.879 -12.545 1.00 35.46 H +ATOM 2419 N ASP A1041 -10.281 -2.857 -12.183 1.00 37.60 N +ATOM 2420 CA ASP A1041 -9.156 -2.128 -11.575 1.00 37.19 C +ATOM 2421 C ASP A1041 -9.647 -0.930 -10.739 1.00 39.90 C +ATOM 2422 O ASP A1041 -9.838 0.158 -11.279 1.00 40.83 O +ATOM 2423 CB ASP A1041 -8.045 -1.755 -12.602 1.00 38.16 C +ATOM 2424 CG ASP A1041 -6.684 -1.252 -12.060 1.00 45.68 C +ATOM 2425 OD1 ASP A1041 -5.771 -1.092 -12.899 1.00 47.53 O +ATOM 2426 OD2 ASP A1041 -6.537 -1.022 -10.838 1.00 46.86 O1- +ATOM 2427 H ASP A1041 -10.328 -3.831 -11.919 1.00 37.60 H +ATOM 2428 HA ASP A1041 -8.711 -2.844 -10.881 1.00 37.19 H +ATOM 2429 HB3 ASP A1041 -8.439 -1.004 -13.286 1.00 38.16 H +ATOM 2430 HB2 ASP A1041 -7.850 -2.625 -13.230 1.00 38.16 H +ATOM 2431 N PHE A1042 -9.815 -1.168 -9.430 1.00 32.99 N +ATOM 2432 CA PHE A1042 -10.209 -0.173 -8.429 1.00 32.48 C +ATOM 2433 C PHE A1042 -9.008 0.266 -7.562 1.00 35.62 C +ATOM 2434 O PHE A1042 -9.202 0.707 -6.430 1.00 35.44 O +ATOM 2435 CB PHE A1042 -11.403 -0.721 -7.611 1.00 35.36 C +ATOM 2436 CG PHE A1042 -12.699 -0.811 -8.402 1.00 36.03 C +ATOM 2437 CD1 PHE A1042 -13.585 0.286 -8.444 1.00 39.47 C +ATOM 2438 CD2 PHE A1042 -12.942 -1.915 -9.249 1.00 37.32 C +ATOM 2439 CE1 PHE A1042 -14.709 0.241 -9.258 1.00 39.56 C +ATOM 2440 CE2 PHE A1042 -14.064 -1.934 -10.065 1.00 40.21 C +ATOM 2441 CZ PHE A1042 -14.948 -0.863 -10.064 1.00 38.02 C +ATOM 2442 H PHE A1042 -9.602 -2.087 -9.065 1.00 32.99 H +ATOM 2443 HA PHE A1042 -10.553 0.738 -8.922 1.00 32.48 H +ATOM 2444 HB3 PHE A1042 -11.593 -0.103 -6.733 1.00 35.36 H +ATOM 2445 HB2 PHE A1042 -11.163 -1.715 -7.230 1.00 35.36 H +ATOM 2446 HD1 PHE A1042 -13.398 1.163 -7.841 1.00 39.47 H +ATOM 2447 HD2 PHE A1042 -12.252 -2.746 -9.271 1.00 37.32 H +ATOM 2448 HE1 PHE A1042 -15.394 1.075 -9.279 1.00 39.56 H +ATOM 2449 HE2 PHE A1042 -14.245 -2.783 -10.706 1.00 40.21 H +ATOM 2450 HZ PHE A1042 -15.819 -0.885 -10.703 1.00 38.02 H +ATOM 2451 N GLY A1043 -7.784 0.142 -8.108 1.00 33.72 N +ATOM 2452 CA GLY A1043 -6.521 0.435 -7.427 1.00 35.61 C +ATOM 2453 C GLY A1043 -6.198 1.933 -7.365 1.00 40.83 C +ATOM 2454 O GLY A1043 -5.284 2.317 -6.639 1.00 42.94 O +ATOM 2455 H GLY A1043 -7.704 -0.230 -9.047 1.00 33.72 H +ATOM 2456 HA3 GLY A1043 -5.718 -0.084 -7.948 1.00 35.61 H +ATOM 2457 HA2 GLY A1043 -6.540 0.043 -6.412 1.00 35.61 H +ATOM 2458 N LEU A1044 -6.945 2.778 -8.088 1.00 35.95 N +ATOM 2459 CA LEU A1044 -6.861 4.233 -8.006 1.00 35.55 C +ATOM 2460 C LEU A1044 -8.171 4.829 -7.458 1.00 38.20 C +ATOM 2461 O LEU A1044 -8.212 6.033 -7.219 1.00 37.43 O +ATOM 2462 CB LEU A1044 -6.469 4.775 -9.406 1.00 34.71 C +ATOM 2463 CG LEU A1044 -5.531 6.004 -9.408 1.00 41.15 C +ATOM 2464 CD1 LEU A1044 -4.249 5.779 -8.578 1.00 45.80 C +ATOM 2465 CD2 LEU A1044 -5.188 6.427 -10.852 1.00 40.55 C +ATOM 2466 H LEU A1044 -7.658 2.413 -8.706 1.00 35.95 H +ATOM 2467 HA LEU A1044 -6.105 4.519 -7.276 1.00 35.55 H +ATOM 2468 HB3 LEU A1044 -7.369 4.997 -9.980 1.00 34.71 H +ATOM 2469 HB2 LEU A1044 -5.959 3.988 -9.965 1.00 34.71 H +ATOM 2470 HG LEU A1044 -6.080 6.829 -8.955 1.00 41.15 H +ATOM 2471 HD11 LEU A1044 -3.350 6.151 -9.067 1.00 45.80 H +ATOM 2472 HD12 LEU A1044 -4.316 6.290 -7.618 1.00 45.80 H +ATOM 2473 HD13 LEU A1044 -4.084 4.721 -8.374 1.00 45.80 H +ATOM 2474 HD21 LEU A1044 -5.412 7.480 -11.005 1.00 40.55 H +ATOM 2475 HD22 LEU A1044 -4.137 6.284 -11.101 1.00 40.55 H +ATOM 2476 HD23 LEU A1044 -5.757 5.864 -11.592 1.00 40.55 H +ATOM 2477 N ALA A1045 -9.201 3.990 -7.232 1.00 34.45 N +ATOM 2478 CA ALA A1045 -10.504 4.387 -6.704 1.00 35.33 C +ATOM 2479 C ALA A1045 -10.430 4.893 -5.256 1.00 41.48 C +ATOM 2480 O ALA A1045 -9.604 4.418 -4.473 1.00 41.92 O +ATOM 2481 CB ALA A1045 -11.487 3.214 -6.830 1.00 35.84 C +ATOM 2482 H ALA A1045 -9.084 3.005 -7.423 1.00 34.45 H +ATOM 2483 HA ALA A1045 -10.850 5.203 -7.335 1.00 35.33 H +ATOM 2484 HB1 ALA A1045 -12.498 3.516 -6.557 1.00 35.84 H +ATOM 2485 HB2 ALA A1045 -11.523 2.843 -7.855 1.00 35.84 H +ATOM 2486 HB3 ALA A1045 -11.207 2.384 -6.181 1.00 35.84 H +ATOM 2487 N LYS A1046 -11.300 5.861 -4.945 1.00 39.67 N +ATOM 2488 CA LYS A1046 -11.318 6.591 -3.682 1.00 41.51 C +ATOM 2489 C LYS A1046 -12.750 6.934 -3.276 1.00 46.70 C +ATOM 2490 O LYS A1046 -13.567 7.254 -4.135 1.00 45.21 O +ATOM 2491 CB LYS A1046 -10.476 7.879 -3.839 1.00 43.95 C +ATOM 2492 CG LYS A1046 -8.988 7.717 -3.485 1.00 52.94 C +ATOM 2493 CD LYS A1046 -8.690 7.354 -2.016 1.00 61.30 C +ATOM 2494 CE LYS A1046 -9.523 8.140 -0.980 1.00 72.46 C +ATOM 2495 NZ LYS A1046 -9.058 7.923 0.399 1.00 80.50 N1+ +ATOM 2496 H LYS A1046 -11.971 6.165 -5.639 1.00 39.67 H +ATOM 2497 HA LYS A1046 -10.904 5.956 -2.897 1.00 41.51 H +ATOM 2498 HB3 LYS A1046 -10.879 8.677 -3.214 1.00 43.95 H +ATOM 2499 HB2 LYS A1046 -10.573 8.265 -4.855 1.00 43.95 H +ATOM 2500 HG3 LYS A1046 -8.477 8.644 -3.729 1.00 52.94 H +ATOM 2501 HG2 LYS A1046 -8.538 6.968 -4.136 1.00 52.94 H +ATOM 2502 HD3 LYS A1046 -7.629 7.535 -1.837 1.00 61.30 H +ATOM 2503 HD2 LYS A1046 -8.829 6.282 -1.883 1.00 61.30 H +ATOM 2504 HE3 LYS A1046 -10.570 7.846 -1.027 1.00 72.46 H +ATOM 2505 HE2 LYS A1046 -9.486 9.205 -1.193 1.00 72.46 H +ATOM 2506 HZ1 LYS A1046 -8.097 8.222 0.487 1.00 80.50 H +ATOM 2507 HZ2 LYS A1046 -9.636 8.452 1.037 1.00 80.50 H +ATOM 2508 HZ3 LYS A1046 -9.133 6.938 0.619 1.00 80.50 H +ATOM 2509 N ALA A1047 -12.999 6.921 -1.957 1.00 45.97 N +ATOM 2510 CA ALA A1047 -14.212 7.457 -1.347 1.00 47.89 C +ATOM 2511 C ALA A1047 -14.167 8.991 -1.315 1.00 53.43 C +ATOM 2512 O ALA A1047 -13.153 9.562 -0.907 1.00 53.75 O +ATOM 2513 CB ALA A1047 -14.352 6.891 0.073 1.00 51.21 C +ATOM 2514 H ALA A1047 -12.278 6.625 -1.316 1.00 45.97 H +ATOM 2515 HA ALA A1047 -15.077 7.135 -1.930 1.00 47.89 H +ATOM 2516 HB1 ALA A1047 -15.270 7.242 0.546 1.00 51.21 H +ATOM 2517 HB2 ALA A1047 -14.389 5.802 0.060 1.00 51.21 H +ATOM 2518 HB3 ALA A1047 -13.516 7.185 0.710 1.00 51.21 H +ATOM 2519 N VAL A1048 -15.284 9.612 -1.717 1.00 51.14 N +ATOM 2520 CA VAL A1048 -15.527 11.048 -1.616 1.00 52.52 C +ATOM 2521 C VAL A1048 -16.589 11.227 -0.506 1.00 61.61 C +ATOM 2522 O VAL A1048 -17.713 10.757 -0.701 1.00 62.08 O +ATOM 2523 CB VAL A1048 -16.107 11.604 -2.950 1.00 54.59 C +ATOM 2524 CG1 VAL A1048 -16.533 13.087 -2.879 1.00 55.28 C +ATOM 2525 CG2 VAL A1048 -15.123 11.416 -4.115 1.00 51.78 C +ATOM 2526 H VAL A1048 -16.073 9.059 -2.028 1.00 51.14 H +ATOM 2527 HA VAL A1048 -14.604 11.590 -1.418 1.00 52.52 H +ATOM 2528 HB VAL A1048 -16.991 11.024 -3.210 1.00 54.59 H +ATOM 2529 HG11 VAL A1048 -16.863 13.451 -3.853 1.00 55.28 H +ATOM 2530 HG12 VAL A1048 -17.363 13.245 -2.193 1.00 55.28 H +ATOM 2531 HG13 VAL A1048 -15.707 13.722 -2.554 1.00 55.28 H +ATOM 2532 HG21 VAL A1048 -15.510 11.856 -5.034 1.00 51.78 H +ATOM 2533 HG22 VAL A1048 -14.159 11.881 -3.905 1.00 51.78 H +ATOM 2534 HG23 VAL A1048 -14.954 10.358 -4.308 1.00 51.78 H +ATOM 2535 N PRO A1049 -16.231 11.864 0.638 1.00 62.00 N +ATOM 2536 CA PRO A1049 -17.181 12.175 1.733 1.00 66.09 C +ATOM 2537 C PRO A1049 -18.456 12.902 1.274 1.00 73.83 C +ATOM 2538 O PRO A1049 -18.378 13.726 0.366 1.00 71.64 O +ATOM 2539 CB PRO A1049 -16.359 13.057 2.687 1.00 69.51 C +ATOM 2540 CG PRO A1049 -14.919 12.642 2.455 1.00 71.48 C +ATOM 2541 CD PRO A1049 -14.886 12.345 0.963 1.00 63.48 C +ATOM 2542 HA PRO A1049 -17.437 11.234 2.224 1.00 66.09 H +ATOM 2543 HB3 PRO A1049 -16.659 12.943 3.729 1.00 69.51 H +ATOM 2544 HB2 PRO A1049 -16.470 14.109 2.427 1.00 69.51 H +ATOM 2545 HG3 PRO A1049 -14.713 11.728 3.013 1.00 71.48 H +ATOM 2546 HG2 PRO A1049 -14.194 13.397 2.762 1.00 71.48 H +ATOM 2547 HD2 PRO A1049 -14.689 13.254 0.393 1.00 63.48 H +ATOM 2548 HD3 PRO A1049 -14.104 11.617 0.743 1.00 63.48 H +ATOM 2549 N GLU A1050 -19.599 12.565 1.891 1.00 75.69 N +ATOM 2550 CA GLU A1050 -20.944 13.042 1.544 1.00 77.51 C +ATOM 2551 C GLU A1050 -21.136 14.576 1.529 1.00 84.15 C +ATOM 2552 O GLU A1050 -21.985 15.055 0.778 1.00 83.15 O +ATOM 2553 CB GLU A1050 -22.005 12.335 2.423 1.00 82.22 C +ATOM 2554 CG GLU A1050 -21.882 12.524 3.960 1.00 97.93 C +ATOM 2555 CD GLU A1050 -20.911 11.595 4.717 1.00120.70 C +ATOM 2556 OE1 GLU A1050 -20.353 10.656 4.106 1.00108.26 O +ATOM 2557 OE2 GLU A1050 -20.740 11.849 5.929 1.00119.67 O1- +ATOM 2558 H GLU A1050 -19.576 11.868 2.628 1.00 75.69 H +ATOM 2559 HA GLU A1050 -21.123 12.708 0.521 1.00 77.51 H +ATOM 2560 HB3 GLU A1050 -22.046 11.276 2.164 1.00 82.22 H +ATOM 2561 HB2 GLU A1050 -22.986 12.711 2.130 1.00 82.22 H +ATOM 2562 HG3 GLU A1050 -22.868 12.357 4.395 1.00 97.93 H +ATOM 2563 HG2 GLU A1050 -21.636 13.561 4.192 1.00 97.93 H +ATOM 2564 N GLY A1051 -20.338 15.313 2.322 1.00 83.36 N +ATOM 2565 CA GLY A1051 -20.348 16.778 2.372 1.00 84.58 C +ATOM 2566 C GLY A1051 -19.398 17.418 1.341 1.00 86.36 C +ATOM 2567 O GLY A1051 -19.389 18.642 1.226 1.00 86.86 O +ATOM 2568 H GLY A1051 -19.671 14.838 2.912 1.00 83.36 H +ATOM 2569 HA3 GLY A1051 -20.034 17.087 3.369 1.00 84.58 H +ATOM 2570 HA2 GLY A1051 -21.358 17.167 2.228 1.00 84.58 H +ATOM 2571 N HIS A1052 -18.601 16.614 0.616 1.00 79.97 N +ATOM 2572 CA HIS A1052 -17.628 17.042 -0.391 1.00 76.91 C +ATOM 2573 C HIS A1052 -18.092 16.594 -1.786 1.00 76.64 C +ATOM 2574 O HIS A1052 -18.785 15.584 -1.911 1.00 75.70 O +ATOM 2575 CB HIS A1052 -16.249 16.407 -0.085 1.00 77.26 C +ATOM 2576 CG HIS A1052 -15.565 16.849 1.190 1.00 83.91 C +ATOM 2577 ND1 HIS A1052 -16.149 16.768 2.443 1.00 88.78 N +ATOM 2578 CD2 HIS A1052 -14.311 17.376 1.409 1.00 86.52 C +ATOM 2579 CE1 HIS A1052 -15.262 17.223 3.330 1.00 90.57 C +ATOM 2580 NE2 HIS A1052 -14.121 17.610 2.773 1.00 89.68 N +ATOM 2581 H HIS A1052 -18.690 15.611 0.721 1.00 79.97 H +ATOM 2582 HA HIS A1052 -17.522 18.128 -0.395 1.00 76.91 H +ATOM 2583 HB3 HIS A1052 -15.562 16.629 -0.903 1.00 77.26 H +ATOM 2584 HB2 HIS A1052 -16.328 15.320 -0.059 1.00 77.26 H +ATOM 2585 HD1 HIS A1052 -17.079 16.432 2.646 1.00 88.78 H +ATOM 2586 HD2 HIS A1052 -13.532 17.597 0.693 1.00 86.52 H +ATOM 2587 HE1 HIS A1052 -15.452 17.274 4.392 1.00 90.57 H +ATOM 2588 N GLU A1053 -17.658 17.339 -2.813 1.00 70.38 N +ATOM 2589 CA GLU A1053 -17.883 17.025 -4.226 1.00 67.41 C +ATOM 2590 C GLU A1053 -16.584 16.601 -4.944 1.00 65.39 C +ATOM 2591 O GLU A1053 -16.666 16.250 -6.120 1.00 62.86 O +ATOM 2592 CB GLU A1053 -18.591 18.216 -4.922 1.00 69.51 C +ATOM 2593 CG GLU A1053 -17.775 19.516 -5.126 1.00 81.78 C +ATOM 2594 CD GLU A1053 -17.769 20.453 -3.910 1.00109.48 C +ATOM 2595 OE1 GLU A1053 -16.887 20.272 -3.041 1.00107.26 O +ATOM 2596 OE2 GLU A1053 -18.636 21.354 -3.877 1.00107.68 O1- +ATOM 2597 H GLU A1053 -17.140 18.190 -2.633 1.00 70.38 H +ATOM 2598 HA GLU A1053 -18.555 16.169 -4.309 1.00 67.41 H +ATOM 2599 HB3 GLU A1053 -19.511 18.445 -4.382 1.00 69.51 H +ATOM 2600 HB2 GLU A1053 -18.930 17.878 -5.902 1.00 69.51 H +ATOM 2601 HG3 GLU A1053 -18.202 20.060 -5.971 1.00 81.78 H +ATOM 2602 HG2 GLU A1053 -16.755 19.292 -5.427 1.00 81.78 H +ATOM 2603 N TYR A1054 -15.431 16.625 -4.247 1.00 59.91 N +ATOM 2604 CA TYR A1054 -14.128 16.234 -4.789 1.00 57.06 C +ATOM 2605 C TYR A1054 -13.226 15.604 -3.716 1.00 59.88 C +ATOM 2606 O TYR A1054 -13.479 15.736 -2.518 1.00 61.73 O +ATOM 2607 CB TYR A1054 -13.441 17.443 -5.478 1.00 57.75 C +ATOM 2608 CG TYR A1054 -12.907 18.541 -4.566 1.00 61.72 C +ATOM 2609 CD1 TYR A1054 -13.738 19.620 -4.204 1.00 65.51 C +ATOM 2610 CD2 TYR A1054 -11.584 18.494 -4.074 1.00 63.03 C +ATOM 2611 CE1 TYR A1054 -13.269 20.628 -3.341 1.00 68.28 C +ATOM 2612 CE2 TYR A1054 -11.115 19.497 -3.203 1.00 66.37 C +ATOM 2613 CZ TYR A1054 -11.956 20.565 -2.836 1.00 76.35 C +ATOM 2614 OH TYR A1054 -11.496 21.540 -1.999 1.00 81.80 O +ATOM 2615 H TYR A1054 -15.436 16.914 -3.280 1.00 59.91 H +ATOM 2616 HA TYR A1054 -14.296 15.455 -5.533 1.00 57.06 H +ATOM 2617 HB3 TYR A1054 -14.123 17.885 -6.199 1.00 57.75 H +ATOM 2618 HB2 TYR A1054 -12.600 17.084 -6.073 1.00 57.75 H +ATOM 2619 HD1 TYR A1054 -14.743 19.674 -4.588 1.00 65.51 H +ATOM 2620 HD2 TYR A1054 -10.929 17.683 -4.354 1.00 63.03 H +ATOM 2621 HE1 TYR A1054 -13.924 21.442 -3.068 1.00 68.28 H +ATOM 2622 HE2 TYR A1054 -10.109 19.449 -2.819 1.00 66.37 H +ATOM 2623 HH TYR A1054 -12.170 22.190 -1.786 1.00 81.80 H +ATOM 2624 N TYR A1055 -12.153 14.972 -4.210 1.00 53.09 N +ATOM 2625 CA TYR A1055 -11.010 14.469 -3.457 1.00 53.10 C +ATOM 2626 C TYR A1055 -9.730 15.055 -4.077 1.00 56.32 C +ATOM 2627 O TYR A1055 -9.577 14.991 -5.297 1.00 53.18 O +ATOM 2628 CB TYR A1055 -11.034 12.923 -3.511 1.00 53.04 C +ATOM 2629 CG TYR A1055 -9.744 12.229 -3.105 1.00 55.26 C +ATOM 2630 CD1 TYR A1055 -9.401 12.120 -1.742 1.00 59.33 C +ATOM 2631 CD2 TYR A1055 -8.866 11.729 -4.091 1.00 54.82 C +ATOM 2632 CE1 TYR A1055 -8.185 11.515 -1.367 1.00 60.69 C +ATOM 2633 CE2 TYR A1055 -7.649 11.129 -3.715 1.00 56.92 C +ATOM 2634 CZ TYR A1055 -7.314 11.009 -2.352 1.00 68.28 C +ATOM 2635 OH TYR A1055 -6.149 10.402 -1.984 1.00 72.13 O +ATOM 2636 H TYR A1055 -12.061 14.899 -5.215 1.00 53.09 H +ATOM 2637 HA TYR A1055 -11.073 14.790 -2.414 1.00 53.10 H +ATOM 2638 HB3 TYR A1055 -11.261 12.611 -4.531 1.00 53.04 H +ATOM 2639 HB2 TYR A1055 -11.854 12.542 -2.901 1.00 53.04 H +ATOM 2640 HD1 TYR A1055 -10.063 12.510 -0.983 1.00 59.33 H +ATOM 2641 HD2 TYR A1055 -9.113 11.822 -5.138 1.00 54.82 H +ATOM 2642 HE1 TYR A1055 -7.925 11.436 -0.322 1.00 60.69 H +ATOM 2643 HE2 TYR A1055 -6.981 10.755 -4.477 1.00 56.92 H +ATOM 2644 HH TYR A1055 -5.606 10.149 -2.733 1.00 72.13 H +ATOM 2645 N ARG A1056 -8.820 15.578 -3.233 1.00 56.46 N +ATOM 2646 CA ARG A1056 -7.493 16.028 -3.664 1.00 57.19 C +ATOM 2647 C ARG A1056 -6.569 14.826 -3.910 1.00 61.89 C +ATOM 2648 O ARG A1056 -6.399 13.995 -3.018 1.00 62.29 O +ATOM 2649 CB ARG A1056 -6.857 16.978 -2.622 1.00 60.29 C +ATOM 2650 CG ARG A1056 -6.973 18.463 -3.000 1.00 71.82 C +ATOM 2651 CD ARG A1056 -6.155 19.356 -2.054 1.00 85.08 C +ATOM 2652 NE ARG A1056 -6.332 20.793 -2.325 1.00 93.43 N +ATOM 2653 CZ ARG A1056 -7.278 21.608 -1.823 1.00108.81 C +ATOM 2654 NH1 ARG A1056 -8.248 21.161 -1.012 1.00 96.57 N +ATOM 2655 NH2 ARG A1056 -7.244 22.909 -2.140 1.00 96.30 N1+ +ATOM 2656 H ARG A1056 -8.997 15.584 -2.239 1.00 56.46 H +ATOM 2657 HA ARG A1056 -7.616 16.566 -4.600 1.00 57.19 H +ATOM 2658 HB3 ARG A1056 -5.789 16.767 -2.529 1.00 60.29 H +ATOM 2659 HB2 ARG A1056 -7.270 16.795 -1.630 1.00 60.29 H +ATOM 2660 HG3 ARG A1056 -8.004 18.796 -3.104 1.00 71.82 H +ATOM 2661 HG2 ARG A1056 -6.529 18.553 -3.992 1.00 71.82 H +ATOM 2662 HD3 ARG A1056 -5.100 19.187 -2.272 1.00 85.08 H +ATOM 2663 HD2 ARG A1056 -6.284 19.091 -1.004 1.00 85.08 H +ATOM 2664 HE ARG A1056 -5.655 21.189 -2.963 1.00 93.43 H +ATOM 2665 HH12 ARG A1056 -8.964 21.783 -0.663 1.00 96.57 H +ATOM 2666 HH11 ARG A1056 -8.277 20.185 -0.753 1.00 96.57 H +ATOM 2667 HH22 ARG A1056 -7.927 23.545 -1.753 1.00 96.30 H +ATOM 2668 HH21 ARG A1056 -6.494 23.276 -2.708 1.00 96.30 H +ATOM 2669 N VAL A1057 -5.964 14.798 -5.106 1.00 58.85 N +ATOM 2670 CA VAL A1057 -5.007 13.783 -5.542 1.00 59.44 C +ATOM 2671 C VAL A1057 -3.562 14.286 -5.358 1.00 68.20 C +ATOM 2672 O VAL A1057 -3.337 15.487 -5.204 1.00 69.34 O +ATOM 2673 CB VAL A1057 -5.230 13.408 -7.039 1.00 60.80 C +ATOM 2674 CG1 VAL A1057 -6.688 12.986 -7.286 1.00 59.13 C +ATOM 2675 CG2 VAL A1057 -4.792 14.450 -8.089 1.00 60.31 C +ATOM 2676 H VAL A1057 -6.130 15.554 -5.759 1.00 58.85 H +ATOM 2677 HA VAL A1057 -5.129 12.879 -4.942 1.00 59.44 H +ATOM 2678 HB VAL A1057 -4.625 12.522 -7.230 1.00 60.80 H +ATOM 2679 HG11 VAL A1057 -6.827 12.616 -8.302 1.00 59.13 H +ATOM 2680 HG12 VAL A1057 -6.989 12.198 -6.596 1.00 59.13 H +ATOM 2681 HG13 VAL A1057 -7.372 13.823 -7.144 1.00 59.13 H +ATOM 2682 HG21 VAL A1057 -5.000 14.095 -9.099 1.00 60.31 H +ATOM 2683 HG22 VAL A1057 -5.329 15.385 -7.961 1.00 60.31 H +ATOM 2684 HG23 VAL A1057 -3.724 14.664 -8.049 1.00 60.31 H +ATOM 2685 N ARG A1058 -2.611 13.340 -5.386 1.00 67.56 N +ATOM 2686 CA ARG A1058 -1.177 13.612 -5.288 1.00 70.37 C +ATOM 2687 C ARG A1058 -0.543 13.791 -6.676 1.00 74.80 C +ATOM 2688 O ARG A1058 -1.076 13.300 -7.673 1.00 72.29 O +ATOM 2689 CB ARG A1058 -0.479 12.448 -4.551 1.00 73.21 C +ATOM 2690 CG ARG A1058 -1.089 12.101 -3.184 1.00 89.24 C +ATOM 2691 CD ARG A1058 -0.241 11.070 -2.421 1.00105.70 C +ATOM 2692 NE ARG A1058 -0.968 10.502 -1.272 1.00119.40 N +ATOM 2693 CZ ARG A1058 -1.743 9.400 -1.279 1.00134.49 C +ATOM 2694 NH1 ARG A1058 -1.925 8.658 -2.382 1.00120.12 N +ATOM 2695 NH2 ARG A1058 -2.354 9.027 -0.148 1.00122.85 N1+ +ATOM 2696 H ARG A1058 -2.868 12.377 -5.539 1.00 67.56 H +ATOM 2697 HA ARG A1058 -1.018 14.526 -4.711 1.00 70.37 H +ATOM 2698 HB3 ARG A1058 0.578 12.688 -4.420 1.00 73.21 H +ATOM 2699 HB2 ARG A1058 -0.507 11.554 -5.177 1.00 73.21 H +ATOM 2700 HG3 ARG A1058 -2.134 11.793 -3.252 1.00 89.24 H +ATOM 2701 HG2 ARG A1058 -1.084 13.029 -2.610 1.00 89.24 H +ATOM 2702 HD3 ARG A1058 0.588 11.605 -1.956 1.00105.70 H +ATOM 2703 HD2 ARG A1058 0.217 10.325 -3.072 1.00105.70 H +ATOM 2704 HE ARG A1058 -0.893 11.026 -0.412 1.00119.40 H +ATOM 2705 HH12 ARG A1058 -2.491 7.818 -2.349 1.00120.12 H +ATOM 2706 HH11 ARG A1058 -1.459 8.910 -3.242 1.00120.12 H +ATOM 2707 HH22 ARG A1058 -2.931 8.198 -0.132 1.00122.85 H +ATOM 2708 HH21 ARG A1058 -2.234 9.562 0.700 1.00122.85 H +ATOM 2709 N GLU A1059 0.628 14.446 -6.686 1.00 74.50 N +ATOM 2710 CA GLU A1059 1.549 14.511 -7.820 1.00 74.23 C +ATOM 2711 C GLU A1059 2.244 13.144 -7.957 1.00 77.46 C +ATOM 2712 O GLU A1059 3.046 12.789 -7.092 1.00 79.77 O +ATOM 2713 CB GLU A1059 2.560 15.653 -7.577 1.00 78.25 C +ATOM 2714 CG GLU A1059 1.892 17.042 -7.423 1.00 89.76 C +ATOM 2715 CD GLU A1059 2.831 18.197 -7.039 1.00113.50 C +ATOM 2716 OE1 GLU A1059 4.068 18.005 -7.030 1.00107.60 O +ATOM 2717 OE2 GLU A1059 2.280 19.281 -6.747 1.00107.56 O1- +ATOM 2718 H GLU A1059 0.988 14.825 -5.822 1.00 74.50 H +ATOM 2719 HA GLU A1059 0.986 14.729 -8.730 1.00 74.23 H +ATOM 2720 HB3 GLU A1059 3.269 15.684 -8.405 1.00 78.25 H +ATOM 2721 HB2 GLU A1059 3.148 15.433 -6.683 1.00 78.25 H +ATOM 2722 HG3 GLU A1059 1.105 17.001 -6.669 1.00 89.76 H +ATOM 2723 HG2 GLU A1059 1.401 17.302 -8.360 1.00 89.76 H +ATOM 2724 N ASP A1060 1.863 12.381 -8.994 1.00 70.23 N +ATOM 2725 CA ASP A1060 2.185 10.959 -9.123 1.00 68.85 C +ATOM 2726 C ASP A1060 2.436 10.612 -10.602 1.00 68.50 C +ATOM 2727 O ASP A1060 1.727 11.115 -11.475 1.00 66.16 O +ATOM 2728 CB ASP A1060 1.080 10.106 -8.446 1.00 69.42 C +ATOM 2729 CG ASP A1060 1.258 8.586 -8.543 1.00 81.45 C +ATOM 2730 OD1 ASP A1060 0.559 7.983 -9.387 1.00 81.04 O +ATOM 2731 OD2 ASP A1060 2.179 8.077 -7.867 1.00 89.83 O1- +ATOM 2732 H ASP A1060 1.207 12.743 -9.671 1.00 70.23 H +ATOM 2733 HA ASP A1060 3.123 10.765 -8.598 1.00 68.85 H +ATOM 2734 HB3 ASP A1060 0.101 10.394 -8.832 1.00 69.42 H +ATOM 2735 HB2 ASP A1060 1.038 10.369 -7.387 1.00 69.42 H +ATOM 2736 N GLY A1061 3.449 9.764 -10.849 1.00 63.47 N +ATOM 2737 CA GLY A1061 3.926 9.419 -12.190 1.00 61.92 C +ATOM 2738 C GLY A1061 3.069 8.349 -12.886 1.00 61.80 C +ATOM 2739 O GLY A1061 3.082 8.291 -14.114 1.00 61.49 O +ATOM 2740 H GLY A1061 3.956 9.366 -10.070 1.00 63.47 H +ATOM 2741 HA3 GLY A1061 4.945 9.042 -12.107 1.00 61.92 H +ATOM 2742 HA2 GLY A1061 3.972 10.313 -12.814 1.00 61.92 H +ATOM 2743 N ASP A1062 2.325 7.524 -12.126 1.00 55.28 N +ATOM 2744 CA ASP A1062 1.442 6.464 -12.636 1.00 52.23 C +ATOM 2745 C ASP A1062 0.004 6.947 -12.919 1.00 50.35 C +ATOM 2746 O ASP A1062 -0.815 6.141 -13.363 1.00 49.00 O +ATOM 2747 CB ASP A1062 1.434 5.201 -11.736 1.00 54.90 C +ATOM 2748 CG ASP A1062 2.831 4.607 -11.498 1.00 73.36 C +ATOM 2749 OD1 ASP A1062 3.333 3.948 -12.436 1.00 75.14 O +ATOM 2750 OD2 ASP A1062 3.434 4.928 -10.449 1.00 82.10 O1- +ATOM 2751 H ASP A1062 2.350 7.618 -11.119 1.00 55.28 H +ATOM 2752 HA ASP A1062 1.827 6.142 -13.606 1.00 52.23 H +ATOM 2753 HB3 ASP A1062 0.812 4.422 -12.180 1.00 54.90 H +ATOM 2754 HB2 ASP A1062 0.987 5.438 -10.768 1.00 54.90 H +ATOM 2755 N SER A1063 -0.281 8.242 -12.691 1.00 43.08 N +ATOM 2756 CA SER A1063 -1.561 8.892 -12.987 1.00 39.71 C +ATOM 2757 C SER A1063 -1.834 8.910 -14.512 1.00 36.74 C +ATOM 2758 O SER A1063 -0.950 9.351 -15.250 1.00 35.65 O +ATOM 2759 CB SER A1063 -1.491 10.338 -12.459 1.00 44.05 C +ATOM 2760 OG SER A1063 -1.613 10.353 -11.052 1.00 56.19 O +ATOM 2761 H SER A1063 0.446 8.839 -12.324 1.00 43.08 H +ATOM 2762 HA SER A1063 -2.332 8.355 -12.439 1.00 39.71 H +ATOM 2763 HB3 SER A1063 -2.315 10.931 -12.860 1.00 44.05 H +ATOM 2764 HB2 SER A1063 -0.570 10.836 -12.765 1.00 44.05 H +ATOM 2765 HG SER A1063 -0.858 9.891 -10.676 1.00 56.19 H +ATOM 2766 N PRO A1064 -3.015 8.426 -14.970 1.00 30.99 N +ATOM 2767 CA PRO A1064 -3.378 8.425 -16.402 1.00 29.59 C +ATOM 2768 C PRO A1064 -3.800 9.827 -16.898 1.00 32.01 C +ATOM 2769 O PRO A1064 -4.988 10.093 -17.078 1.00 29.67 O +ATOM 2770 CB PRO A1064 -4.497 7.370 -16.469 1.00 29.56 C +ATOM 2771 CG PRO A1064 -5.201 7.486 -15.127 1.00 33.51 C +ATOM 2772 CD PRO A1064 -4.061 7.793 -14.161 1.00 30.17 C +ATOM 2773 HA PRO A1064 -2.539 8.089 -17.015 1.00 29.59 H +ATOM 2774 HB3 PRO A1064 -4.050 6.379 -16.559 1.00 29.56 H +ATOM 2775 HB2 PRO A1064 -5.178 7.491 -17.312 1.00 29.56 H +ATOM 2776 HG3 PRO A1064 -5.769 6.600 -14.852 1.00 33.51 H +ATOM 2777 HG2 PRO A1064 -5.894 8.325 -15.161 1.00 33.51 H +ATOM 2778 HD2 PRO A1064 -4.404 8.427 -13.343 1.00 30.17 H +ATOM 2779 HD3 PRO A1064 -3.670 6.865 -13.739 1.00 30.17 H +ATOM 2780 N VAL A1065 -2.800 10.705 -17.088 1.00 29.66 N +ATOM 2781 CA VAL A1065 -2.951 12.127 -17.410 1.00 29.04 C +ATOM 2782 C VAL A1065 -3.639 12.430 -18.758 1.00 30.30 C +ATOM 2783 O VAL A1065 -4.307 13.458 -18.859 1.00 30.19 O +ATOM 2784 CB VAL A1065 -1.583 12.864 -17.373 1.00 34.62 C +ATOM 2785 CG1 VAL A1065 -1.026 12.925 -15.939 1.00 34.92 C +ATOM 2786 CG2 VAL A1065 -0.534 12.320 -18.364 1.00 35.44 C +ATOM 2787 H VAL A1065 -1.854 10.404 -16.898 1.00 29.66 H +ATOM 2788 HA VAL A1065 -3.579 12.552 -16.626 1.00 29.04 H +ATOM 2789 HB VAL A1065 -1.750 13.900 -17.667 1.00 34.62 H +ATOM 2790 HG11 VAL A1065 -0.087 13.474 -15.899 1.00 34.92 H +ATOM 2791 HG12 VAL A1065 -1.725 13.423 -15.267 1.00 34.92 H +ATOM 2792 HG13 VAL A1065 -0.833 11.932 -15.538 1.00 34.92 H +ATOM 2793 HG21 VAL A1065 0.408 12.861 -18.269 1.00 35.44 H +ATOM 2794 HG22 VAL A1065 -0.323 11.265 -18.188 1.00 35.44 H +ATOM 2795 HG23 VAL A1065 -0.857 12.430 -19.399 1.00 35.44 H +ATOM 2796 N PHE A1066 -3.516 11.523 -19.742 1.00 25.62 N +ATOM 2797 CA PHE A1066 -4.162 11.634 -21.055 1.00 24.82 C +ATOM 2798 C PHE A1066 -5.663 11.264 -21.049 1.00 26.45 C +ATOM 2799 O PHE A1066 -6.334 11.496 -22.053 1.00 25.78 O +ATOM 2800 CB PHE A1066 -3.362 10.816 -22.089 1.00 26.47 C +ATOM 2801 CG PHE A1066 -1.927 11.285 -22.278 1.00 27.98 C +ATOM 2802 CD1 PHE A1066 -1.658 12.556 -22.830 1.00 31.46 C +ATOM 2803 CD2 PHE A1066 -0.846 10.491 -21.838 1.00 29.97 C +ATOM 2804 CE1 PHE A1066 -0.348 12.995 -22.971 1.00 33.77 C +ATOM 2805 CE2 PHE A1066 0.458 10.945 -21.994 1.00 33.43 C +ATOM 2806 CZ PHE A1066 0.705 12.190 -22.560 1.00 32.31 C +ATOM 2807 H PHE A1066 -2.954 10.698 -19.588 1.00 25.62 H +ATOM 2808 HA PHE A1066 -4.122 12.680 -21.365 1.00 24.82 H +ATOM 2809 HB3 PHE A1066 -3.857 10.859 -23.059 1.00 26.47 H +ATOM 2810 HB2 PHE A1066 -3.356 9.763 -21.809 1.00 26.47 H +ATOM 2811 HD1 PHE A1066 -2.468 13.198 -23.139 1.00 31.46 H +ATOM 2812 HD2 PHE A1066 -1.026 9.526 -21.388 1.00 29.97 H +ATOM 2813 HE1 PHE A1066 -0.148 13.967 -23.400 1.00 33.77 H +ATOM 2814 HE2 PHE A1066 1.283 10.330 -21.668 1.00 33.43 H +ATOM 2815 HZ PHE A1066 1.722 12.536 -22.673 1.00 32.31 H +ATOM 2816 N TRP A1067 -6.162 10.741 -19.915 1.00 22.72 N +ATOM 2817 CA TRP A1067 -7.578 10.512 -19.621 1.00 23.65 C +ATOM 2818 C TRP A1067 -8.135 11.538 -18.616 1.00 26.48 C +ATOM 2819 O TRP A1067 -9.316 11.442 -18.291 1.00 25.01 O +ATOM 2820 CB TRP A1067 -7.777 9.072 -19.090 1.00 21.85 C +ATOM 2821 CG TRP A1067 -7.577 7.977 -20.094 1.00 23.25 C +ATOM 2822 CD1 TRP A1067 -8.574 7.326 -20.734 1.00 25.76 C +ATOM 2823 CD2 TRP A1067 -6.332 7.436 -20.635 1.00 23.75 C +ATOM 2824 NE1 TRP A1067 -8.037 6.437 -21.639 1.00 25.21 N +ATOM 2825 CE2 TRP A1067 -6.660 6.462 -21.626 1.00 27.61 C +ATOM 2826 CE3 TRP A1067 -4.956 7.669 -20.401 1.00 25.53 C +ATOM 2827 CZ2 TRP A1067 -5.679 5.765 -22.352 1.00 27.61 C +ATOM 2828 CZ3 TRP A1067 -3.962 6.972 -21.119 1.00 27.51 C +ATOM 2829 CH2 TRP A1067 -4.322 6.021 -22.093 1.00 28.26 C +ATOM 2830 H TRP A1067 -5.533 10.572 -19.142 1.00 22.72 H +ATOM 2831 HA TRP A1067 -8.180 10.622 -20.523 1.00 23.65 H +ATOM 2832 HB3 TRP A1067 -8.788 8.950 -18.697 1.00 21.85 H +ATOM 2833 HB2 TRP A1067 -7.111 8.888 -18.247 1.00 21.85 H +ATOM 2834 HD1 TRP A1067 -9.628 7.499 -20.567 1.00 25.76 H +ATOM 2835 HE1 TRP A1067 -8.605 5.842 -22.237 1.00 25.21 H +ATOM 2836 HE3 TRP A1067 -4.660 8.394 -19.658 1.00 25.53 H +ATOM 2837 HZ2 TRP A1067 -5.960 5.042 -23.101 1.00 27.61 H +ATOM 2838 HZ3 TRP A1067 -2.919 7.171 -20.920 1.00 27.51 H +ATOM 2839 HH2 TRP A1067 -3.558 5.491 -22.641 1.00 28.26 H +ATOM 2840 N TYR A1068 -7.303 12.473 -18.120 1.00 25.06 N +ATOM 2841 CA TYR A1068 -7.669 13.415 -17.059 1.00 24.40 C +ATOM 2842 C TYR A1068 -8.104 14.786 -17.589 1.00 29.09 C +ATOM 2843 O TYR A1068 -7.555 15.289 -18.569 1.00 29.03 O +ATOM 2844 CB TYR A1068 -6.502 13.556 -16.058 1.00 25.40 C +ATOM 2845 CG TYR A1068 -6.394 12.514 -14.949 1.00 26.29 C +ATOM 2846 CD1 TYR A1068 -7.155 11.321 -14.956 1.00 27.65 C +ATOM 2847 CD2 TYR A1068 -5.534 12.771 -13.860 1.00 27.90 C +ATOM 2848 CE1 TYR A1068 -7.082 10.425 -13.876 1.00 28.32 C +ATOM 2849 CE2 TYR A1068 -5.456 11.869 -12.781 1.00 27.93 C +ATOM 2850 CZ TYR A1068 -6.241 10.701 -12.783 1.00 32.15 C +ATOM 2851 OH TYR A1068 -6.191 9.841 -11.727 1.00 34.10 O +ATOM 2852 H TYR A1068 -6.349 12.525 -18.451 1.00 25.06 H +ATOM 2853 HA TYR A1068 -8.523 13.010 -16.526 1.00 24.40 H +ATOM 2854 HB3 TYR A1068 -6.603 14.507 -15.535 1.00 25.40 H +ATOM 2855 HB2 TYR A1068 -5.556 13.631 -16.587 1.00 25.40 H +ATOM 2856 HD1 TYR A1068 -7.815 11.075 -15.772 1.00 27.65 H +ATOM 2857 HD2 TYR A1068 -4.943 13.676 -13.839 1.00 27.90 H +ATOM 2858 HE1 TYR A1068 -7.687 9.531 -13.893 1.00 28.32 H +ATOM 2859 HE2 TYR A1068 -4.804 12.083 -11.947 1.00 27.93 H +ATOM 2860 HH TYR A1068 -6.701 9.039 -11.886 1.00 34.10 H +ATOM 2861 N ALA A1069 -9.073 15.367 -16.861 1.00 26.27 N +ATOM 2862 CA ALA A1069 -9.620 16.709 -17.045 1.00 27.33 C +ATOM 2863 C ALA A1069 -8.660 17.812 -16.541 1.00 31.87 C +ATOM 2864 O ALA A1069 -7.783 17.503 -15.733 1.00 30.37 O +ATOM 2865 CB ALA A1069 -10.957 16.764 -16.293 1.00 27.85 C +ATOM 2866 H ALA A1069 -9.458 14.852 -16.078 1.00 26.27 H +ATOM 2867 HA ALA A1069 -9.792 16.825 -18.112 1.00 27.33 H +ATOM 2868 HB1 ALA A1069 -11.430 17.741 -16.370 1.00 27.85 H +ATOM 2869 HB2 ALA A1069 -11.663 16.034 -16.681 1.00 27.85 H +ATOM 2870 HB3 ALA A1069 -10.814 16.540 -15.236 1.00 27.85 H +ATOM 2871 N PRO A1070 -8.838 19.079 -16.995 1.00 28.98 N +ATOM 2872 CA PRO A1070 -7.907 20.184 -16.674 1.00 30.25 C +ATOM 2873 C PRO A1070 -7.698 20.512 -15.183 1.00 34.14 C +ATOM 2874 O PRO A1070 -6.575 20.850 -14.818 1.00 33.30 O +ATOM 2875 CB PRO A1070 -8.462 21.393 -17.448 1.00 33.24 C +ATOM 2876 CG PRO A1070 -9.273 20.784 -18.577 1.00 37.12 C +ATOM 2877 CD PRO A1070 -9.861 19.535 -17.939 1.00 31.16 C +ATOM 2878 HA PRO A1070 -6.942 19.910 -17.105 1.00 30.25 H +ATOM 2879 HB3 PRO A1070 -7.676 22.052 -17.818 1.00 33.24 H +ATOM 2880 HB2 PRO A1070 -9.120 21.992 -16.817 1.00 33.24 H +ATOM 2881 HG3 PRO A1070 -8.600 20.493 -19.383 1.00 37.12 H +ATOM 2882 HG2 PRO A1070 -10.024 21.457 -18.989 1.00 37.12 H +ATOM 2883 HD2 PRO A1070 -10.770 19.781 -17.388 1.00 31.16 H +ATOM 2884 HD3 PRO A1070 -10.114 18.816 -18.713 1.00 31.16 H +ATOM 2885 N GLU A1071 -8.746 20.388 -14.347 1.00 30.48 N +ATOM 2886 CA GLU A1071 -8.678 20.628 -12.899 1.00 31.43 C +ATOM 2887 C GLU A1071 -8.020 19.474 -12.112 1.00 36.54 C +ATOM 2888 O GLU A1071 -7.615 19.701 -10.974 1.00 37.63 O +ATOM 2889 CB GLU A1071 -10.071 21.014 -12.340 1.00 32.56 C +ATOM 2890 CG GLU A1071 -11.119 19.889 -12.156 1.00 35.76 C +ATOM 2891 CD GLU A1071 -11.657 19.230 -13.433 1.00 37.74 C +ATOM 2892 OE1 GLU A1071 -11.781 19.913 -14.474 1.00 31.58 O +ATOM 2893 OE2 GLU A1071 -11.970 18.026 -13.339 1.00 25.56 O1- +ATOM 2894 H GLU A1071 -9.652 20.116 -14.708 1.00 30.48 H +ATOM 2895 HA GLU A1071 -8.038 21.501 -12.750 1.00 31.43 H +ATOM 2896 HB3 GLU A1071 -10.494 21.816 -12.943 1.00 32.56 H +ATOM 2897 HB2 GLU A1071 -9.918 21.472 -11.362 1.00 32.56 H +ATOM 2898 HG3 GLU A1071 -11.984 20.314 -11.646 1.00 35.76 H +ATOM 2899 HG2 GLU A1071 -10.731 19.126 -11.478 1.00 35.76 H +ATOM 2900 N CYS A1072 -7.889 18.283 -12.721 1.00 32.49 N +ATOM 2901 CA CYS A1072 -7.131 17.154 -12.168 1.00 32.58 C +ATOM 2902 C CYS A1072 -5.623 17.317 -12.425 1.00 37.39 C +ATOM 2903 O CYS A1072 -4.824 16.850 -11.615 1.00 38.08 O +ATOM 2904 CB CYS A1072 -7.584 15.806 -12.755 1.00 31.25 C +ATOM 2905 SG CYS A1072 -9.349 15.552 -12.465 1.00 34.42 S +ATOM 2906 H CYS A1072 -8.262 18.155 -13.652 1.00 32.49 H +ATOM 2907 HA CYS A1072 -7.284 17.120 -11.088 1.00 32.58 H +ATOM 2908 HB3 CYS A1072 -7.035 14.979 -12.302 1.00 31.25 H +ATOM 2909 HB2 CYS A1072 -7.403 15.762 -13.828 1.00 31.25 H +ATOM 2910 HG CYS A1072 -9.288 15.632 -11.133 1.00 34.42 H +ATOM 2911 N LEU A1073 -5.271 17.969 -13.546 1.00 33.94 N +ATOM 2912 CA LEU A1073 -3.897 18.226 -13.974 1.00 35.43 C +ATOM 2913 C LEU A1073 -3.299 19.481 -13.312 1.00 43.48 C +ATOM 2914 O LEU A1073 -2.091 19.511 -13.081 1.00 44.33 O +ATOM 2915 CB LEU A1073 -3.876 18.408 -15.508 1.00 35.06 C +ATOM 2916 CG LEU A1073 -4.351 17.195 -16.340 1.00 37.87 C +ATOM 2917 CD1 LEU A1073 -4.507 17.583 -17.823 1.00 38.52 C +ATOM 2918 CD2 LEU A1073 -3.457 15.955 -16.159 1.00 39.19 C +ATOM 2919 H LEU A1073 -5.994 18.308 -14.164 1.00 33.94 H +ATOM 2920 HA LEU A1073 -3.270 17.375 -13.702 1.00 35.43 H +ATOM 2921 HB3 LEU A1073 -2.863 18.662 -15.825 1.00 35.06 H +ATOM 2922 HB2 LEU A1073 -4.491 19.273 -15.761 1.00 35.06 H +ATOM 2923 HG LEU A1073 -5.344 16.921 -15.992 1.00 37.87 H +ATOM 2924 HD11 LEU A1073 -5.315 17.019 -18.290 1.00 38.52 H +ATOM 2925 HD12 LEU A1073 -4.739 18.641 -17.949 1.00 38.52 H +ATOM 2926 HD13 LEU A1073 -3.595 17.393 -18.385 1.00 38.52 H +ATOM 2927 HD21 LEU A1073 -3.171 15.527 -17.118 1.00 39.19 H +ATOM 2928 HD22 LEU A1073 -2.540 16.176 -15.615 1.00 39.19 H +ATOM 2929 HD23 LEU A1073 -3.979 15.177 -15.603 1.00 39.19 H +ATOM 2930 N LYS A1074 -4.143 20.500 -13.067 1.00 42.49 N +ATOM 2931 CA LYS A1074 -3.734 21.840 -12.645 1.00 45.58 C +ATOM 2932 C LYS A1074 -3.938 22.043 -11.136 1.00 51.72 C +ATOM 2933 O LYS A1074 -2.977 22.369 -10.442 1.00 52.85 O +ATOM 2934 CB LYS A1074 -4.520 22.874 -13.483 1.00 49.18 C +ATOM 2935 CG LYS A1074 -4.061 24.333 -13.297 1.00 71.38 C +ATOM 2936 CD LYS A1074 -4.733 25.352 -14.242 1.00 85.44 C +ATOM 2937 CE LYS A1074 -6.194 25.715 -13.898 1.00 97.19 C +ATOM 2938 NZ LYS A1074 -7.178 24.738 -14.403 1.00104.18 N1+ +ATOM 2939 H LYS A1074 -5.117 20.395 -13.315 1.00 42.49 H +ATOM 2940 HA LYS A1074 -2.673 21.983 -12.854 1.00 45.58 H +ATOM 2941 HB3 LYS A1074 -5.582 22.784 -13.261 1.00 49.18 H +ATOM 2942 HB2 LYS A1074 -4.408 22.616 -14.535 1.00 49.18 H +ATOM 2943 HG3 LYS A1074 -2.984 24.376 -13.459 1.00 71.38 H +ATOM 2944 HG2 LYS A1074 -4.217 24.648 -12.264 1.00 71.38 H +ATOM 2945 HD3 LYS A1074 -4.666 24.998 -15.272 1.00 85.44 H +ATOM 2946 HD2 LYS A1074 -4.142 26.268 -14.221 1.00 85.44 H +ATOM 2947 HE3 LYS A1074 -6.441 26.675 -14.352 1.00 97.19 H +ATOM 2948 HE2 LYS A1074 -6.315 25.838 -12.821 1.00 97.19 H +ATOM 2949 HZ1 LYS A1074 -7.139 24.709 -15.415 1.00104.18 H +ATOM 2950 HZ2 LYS A1074 -6.978 23.821 -14.032 1.00104.18 H +ATOM 2951 HZ3 LYS A1074 -8.108 25.021 -14.127 1.00104.18 H +ATOM 2952 N GLU A1075 -5.185 21.864 -10.666 1.00 48.00 N +ATOM 2953 CA GLU A1075 -5.589 22.078 -9.273 1.00 49.76 C +ATOM 2954 C GLU A1075 -5.474 20.825 -8.391 1.00 53.28 C +ATOM 2955 O GLU A1075 -5.567 20.956 -7.170 1.00 53.10 O +ATOM 2956 CB GLU A1075 -7.031 22.640 -9.249 1.00 51.48 C +ATOM 2957 CG GLU A1075 -7.126 24.123 -9.673 1.00 66.34 C +ATOM 2958 CD GLU A1075 -6.548 25.138 -8.670 1.00 98.88 C +ATOM 2959 OE1 GLU A1075 -6.399 24.796 -7.474 1.00 95.63 O +ATOM 2960 OE2 GLU A1075 -6.275 26.271 -9.122 1.00 98.68 O1- +ATOM 2961 H GLU A1075 -5.919 21.581 -11.298 1.00 48.00 H +ATOM 2962 HA GLU A1075 -4.922 22.813 -8.820 1.00 49.76 H +ATOM 2963 HB3 GLU A1075 -7.497 22.494 -8.274 1.00 51.48 H +ATOM 2964 HB2 GLU A1075 -7.651 22.063 -9.934 1.00 51.48 H +ATOM 2965 HG3 GLU A1075 -8.176 24.377 -9.823 1.00 66.34 H +ATOM 2966 HG2 GLU A1075 -6.645 24.256 -10.644 1.00 66.34 H +ATOM 2967 N TYR A1076 -5.286 19.648 -9.015 1.00 50.13 N +ATOM 2968 CA TYR A1076 -5.192 18.331 -8.379 1.00 50.19 C +ATOM 2969 C TYR A1076 -6.454 17.958 -7.578 1.00 52.11 C +ATOM 2970 O TYR A1076 -6.336 17.368 -6.508 1.00 53.52 O +ATOM 2971 CB TYR A1076 -3.883 18.203 -7.559 1.00 54.13 C +ATOM 2972 CG TYR A1076 -2.622 18.455 -8.365 1.00 57.78 C +ATOM 2973 CD1 TYR A1076 -1.916 19.668 -8.221 1.00 62.12 C +ATOM 2974 CD2 TYR A1076 -2.165 17.484 -9.279 1.00 57.80 C +ATOM 2975 CE1 TYR A1076 -0.763 19.910 -8.991 1.00 64.82 C +ATOM 2976 CE2 TYR A1076 -1.013 17.727 -10.051 1.00 59.85 C +ATOM 2977 CZ TYR A1076 -0.313 18.941 -9.909 1.00 71.28 C +ATOM 2978 OH TYR A1076 0.803 19.180 -10.657 1.00 75.29 O +ATOM 2979 H TYR A1076 -5.216 19.646 -10.023 1.00 50.13 H +ATOM 2980 HA TYR A1076 -5.143 17.606 -9.189 1.00 50.19 H +ATOM 2981 HB3 TYR A1076 -3.802 17.200 -7.142 1.00 54.13 H +ATOM 2982 HB2 TYR A1076 -3.899 18.878 -6.703 1.00 54.13 H +ATOM 2983 HD1 TYR A1076 -2.263 20.422 -7.529 1.00 62.12 H +ATOM 2984 HD2 TYR A1076 -2.703 16.555 -9.399 1.00 57.80 H +ATOM 2985 HE1 TYR A1076 -0.228 20.842 -8.881 1.00 64.82 H +ATOM 2986 HE2 TYR A1076 -0.674 16.981 -10.755 1.00 59.85 H +ATOM 2987 HH TYR A1076 1.023 18.456 -11.247 1.00 75.29 H +ATOM 2988 N LYS A1077 -7.633 18.303 -8.120 1.00 44.81 N +ATOM 2989 CA LYS A1077 -8.943 17.969 -7.564 1.00 43.60 C +ATOM 2990 C LYS A1077 -9.653 17.022 -8.533 1.00 41.76 C +ATOM 2991 O LYS A1077 -9.719 17.323 -9.725 1.00 38.21 O +ATOM 2992 CB LYS A1077 -9.781 19.250 -7.394 1.00 46.62 C +ATOM 2993 CG LYS A1077 -9.229 20.227 -6.348 1.00 58.33 C +ATOM 2994 CD LYS A1077 -10.183 21.415 -6.132 1.00 67.59 C +ATOM 2995 CE LYS A1077 -9.691 22.437 -5.095 1.00 79.50 C +ATOM 2996 NZ LYS A1077 -8.544 23.223 -5.586 1.00 87.69 N1+ +ATOM 2997 H LYS A1077 -7.646 18.785 -9.009 1.00 44.81 H +ATOM 2998 HA LYS A1077 -8.847 17.481 -6.593 1.00 43.60 H +ATOM 2999 HB3 LYS A1077 -10.792 18.968 -7.093 1.00 46.62 H +ATOM 3000 HB2 LYS A1077 -9.877 19.763 -8.352 1.00 46.62 H +ATOM 3001 HG3 LYS A1077 -8.251 20.586 -6.668 1.00 58.33 H +ATOM 3002 HG2 LYS A1077 -9.071 19.704 -5.404 1.00 58.33 H +ATOM 3003 HD3 LYS A1077 -11.153 21.034 -5.808 1.00 67.59 H +ATOM 3004 HD2 LYS A1077 -10.373 21.911 -7.085 1.00 67.59 H +ATOM 3005 HE3 LYS A1077 -9.419 21.937 -4.165 1.00 79.50 H +ATOM 3006 HE2 LYS A1077 -10.497 23.132 -4.858 1.00 79.50 H +ATOM 3007 HZ1 LYS A1077 -8.800 23.716 -6.430 1.00 87.69 H +ATOM 3008 HZ2 LYS A1077 -8.261 23.896 -4.890 1.00 87.69 H +ATOM 3009 HZ3 LYS A1077 -7.768 22.610 -5.793 1.00 87.69 H +ATOM 3010 N PHE A1078 -10.189 15.916 -7.998 1.00 36.93 N +ATOM 3011 CA PHE A1078 -10.906 14.908 -8.767 1.00 34.49 C +ATOM 3012 C PHE A1078 -12.348 14.856 -8.243 1.00 39.60 C +ATOM 3013 O PHE A1078 -12.591 14.358 -7.144 1.00 40.48 O +ATOM 3014 CB PHE A1078 -10.169 13.558 -8.637 1.00 35.26 C +ATOM 3015 CG PHE A1078 -10.493 12.597 -9.762 1.00 34.98 C +ATOM 3016 CD1 PHE A1078 -9.608 12.458 -10.852 1.00 36.30 C +ATOM 3017 CD2 PHE A1078 -11.754 11.971 -9.820 1.00 35.94 C +ATOM 3018 CE1 PHE A1078 -9.975 11.695 -11.950 1.00 35.94 C +ATOM 3019 CE2 PHE A1078 -12.099 11.211 -10.923 1.00 37.30 C +ATOM 3020 CZ PHE A1078 -11.220 11.082 -11.990 1.00 34.53 C +ATOM 3021 H PHE A1078 -10.087 15.731 -7.008 1.00 36.93 H +ATOM 3022 HA PHE A1078 -10.925 15.177 -9.825 1.00 34.49 H +ATOM 3023 HB3 PHE A1078 -10.387 13.080 -7.681 1.00 35.26 H +ATOM 3024 HB2 PHE A1078 -9.093 13.726 -8.646 1.00 35.26 H +ATOM 3025 HD1 PHE A1078 -8.650 12.958 -10.847 1.00 36.30 H +ATOM 3026 HD2 PHE A1078 -12.469 12.100 -9.023 1.00 35.94 H +ATOM 3027 HE1 PHE A1078 -9.301 11.595 -12.787 1.00 35.94 H +ATOM 3028 HE2 PHE A1078 -13.074 10.756 -10.953 1.00 37.30 H +ATOM 3029 HZ PHE A1078 -11.506 10.510 -12.860 1.00 34.53 H +ATOM 3030 N TYR A1079 -13.265 15.380 -9.067 1.00 35.49 N +ATOM 3031 CA TYR A1079 -14.712 15.425 -8.861 1.00 35.71 C +ATOM 3032 C TYR A1079 -15.384 14.140 -9.384 1.00 36.13 C +ATOM 3033 O TYR A1079 -14.722 13.297 -9.988 1.00 33.76 O +ATOM 3034 CB TYR A1079 -15.265 16.668 -9.605 1.00 37.14 C +ATOM 3035 CG TYR A1079 -14.767 18.014 -9.097 1.00 41.82 C +ATOM 3036 CD1 TYR A1079 -15.588 18.802 -8.262 1.00 45.55 C +ATOM 3037 CD2 TYR A1079 -13.486 18.488 -9.457 1.00 42.95 C +ATOM 3038 CE1 TYR A1079 -15.123 20.038 -7.770 1.00 48.19 C +ATOM 3039 CE2 TYR A1079 -13.019 19.719 -8.957 1.00 44.97 C +ATOM 3040 CZ TYR A1079 -13.833 20.491 -8.107 1.00 54.63 C +ATOM 3041 OH TYR A1079 -13.371 21.675 -7.611 1.00 58.40 O +ATOM 3042 H TYR A1079 -12.957 15.727 -9.967 1.00 35.49 H +ATOM 3043 HA TYR A1079 -14.920 15.514 -7.797 1.00 35.71 H +ATOM 3044 HB3 TYR A1079 -16.354 16.683 -9.545 1.00 37.14 H +ATOM 3045 HB2 TYR A1079 -15.035 16.600 -10.670 1.00 37.14 H +ATOM 3046 HD1 TYR A1079 -16.573 18.456 -7.983 1.00 45.55 H +ATOM 3047 HD2 TYR A1079 -12.851 17.907 -10.110 1.00 42.95 H +ATOM 3048 HE1 TYR A1079 -15.755 20.630 -7.125 1.00 48.19 H +ATOM 3049 HE2 TYR A1079 -12.034 20.069 -9.227 1.00 44.97 H +ATOM 3050 HH TYR A1079 -14.013 22.122 -7.054 1.00 58.40 H +ATOM 3051 N TYR A1080 -16.711 14.029 -9.206 1.00 32.40 N +ATOM 3052 CA TYR A1080 -17.529 13.044 -9.929 1.00 30.87 C +ATOM 3053 C TYR A1080 -17.574 13.332 -11.443 1.00 32.51 C +ATOM 3054 O TYR A1080 -17.491 12.397 -12.236 1.00 30.72 O +ATOM 3055 CB TYR A1080 -18.952 13.003 -9.343 1.00 32.98 C +ATOM 3056 CG TYR A1080 -19.039 12.486 -7.919 1.00 35.85 C +ATOM 3057 CD1 TYR A1080 -18.706 11.144 -7.634 1.00 37.45 C +ATOM 3058 CD2 TYR A1080 -19.471 13.335 -6.879 1.00 38.07 C +ATOM 3059 CE1 TYR A1080 -18.825 10.648 -6.322 1.00 40.49 C +ATOM 3060 CE2 TYR A1080 -19.588 12.839 -5.567 1.00 40.41 C +ATOM 3061 CZ TYR A1080 -19.274 11.494 -5.291 1.00 44.30 C +ATOM 3062 OH TYR A1080 -19.405 11.013 -4.024 1.00 44.69 O +ATOM 3063 H TYR A1080 -17.210 14.719 -8.662 1.00 32.40 H +ATOM 3064 HA TYR A1080 -17.073 12.061 -9.798 1.00 30.87 H +ATOM 3065 HB3 TYR A1080 -19.580 12.352 -9.953 1.00 32.98 H +ATOM 3066 HB2 TYR A1080 -19.408 13.992 -9.401 1.00 32.98 H +ATOM 3067 HD1 TYR A1080 -18.365 10.488 -8.420 1.00 37.45 H +ATOM 3068 HD2 TYR A1080 -19.724 14.365 -7.083 1.00 38.07 H +ATOM 3069 HE1 TYR A1080 -18.579 9.617 -6.113 1.00 40.49 H +ATOM 3070 HE2 TYR A1080 -19.926 13.490 -4.774 1.00 40.41 H +ATOM 3071 HH TYR A1080 -19.110 10.104 -3.937 1.00 44.69 H +ATOM 3072 N ALA A1081 -17.619 14.623 -11.815 1.00 29.56 N +ATOM 3073 CA ALA A1081 -17.528 15.096 -13.196 1.00 27.95 C +ATOM 3074 C ALA A1081 -16.188 14.774 -13.886 1.00 27.99 C +ATOM 3075 O ALA A1081 -16.144 14.763 -15.112 1.00 26.14 O +ATOM 3076 CB ALA A1081 -17.792 16.608 -13.213 1.00 28.95 C +ATOM 3077 H ALA A1081 -17.680 15.338 -11.106 1.00 29.56 H +ATOM 3078 HA ALA A1081 -18.318 14.606 -13.768 1.00 27.95 H +ATOM 3079 HB1 ALA A1081 -17.810 16.997 -14.232 1.00 28.95 H +ATOM 3080 HB2 ALA A1081 -18.757 16.841 -12.763 1.00 28.95 H +ATOM 3081 HB3 ALA A1081 -17.029 17.156 -12.659 1.00 28.95 H +ATOM 3082 N SER A1082 -15.118 14.521 -13.114 1.00 25.39 N +ATOM 3083 CA SER A1082 -13.793 14.175 -13.634 1.00 24.95 C +ATOM 3084 C SER A1082 -13.761 12.774 -14.278 1.00 27.35 C +ATOM 3085 O SER A1082 -13.076 12.600 -15.285 1.00 26.99 O +ATOM 3086 CB SER A1082 -12.771 14.284 -12.496 1.00 28.68 C +ATOM 3087 OG SER A1082 -12.742 15.589 -11.958 1.00 33.92 O +ATOM 3088 H SER A1082 -15.206 14.540 -12.108 1.00 25.39 H +ATOM 3089 HA SER A1082 -13.522 14.898 -14.406 1.00 24.95 H +ATOM 3090 HB3 SER A1082 -11.774 14.031 -12.844 1.00 28.68 H +ATOM 3091 HB2 SER A1082 -13.004 13.589 -11.699 1.00 28.68 H +ATOM 3092 HG SER A1082 -12.341 16.193 -12.596 1.00 33.92 H +ATOM 3093 N ASP A1083 -14.547 11.823 -13.740 1.00 23.13 N +ATOM 3094 CA ASP A1083 -14.801 10.516 -14.358 1.00 22.18 C +ATOM 3095 C ASP A1083 -15.621 10.597 -15.657 1.00 25.02 C +ATOM 3096 O ASP A1083 -15.451 9.717 -16.496 1.00 23.63 O +ATOM 3097 CB ASP A1083 -15.485 9.520 -13.393 1.00 24.19 C +ATOM 3098 CG ASP A1083 -14.607 8.951 -12.272 1.00 28.00 C +ATOM 3099 OD1 ASP A1083 -13.441 8.595 -12.548 1.00 27.87 O +ATOM 3100 OD2 ASP A1083 -15.161 8.727 -11.177 1.00 31.18 O1- +ATOM 3101 H ASP A1083 -15.087 12.032 -12.912 1.00 23.13 H +ATOM 3102 HA ASP A1083 -13.830 10.111 -14.648 1.00 22.18 H +ATOM 3103 HB3 ASP A1083 -15.882 8.674 -13.951 1.00 24.19 H +ATOM 3104 HB2 ASP A1083 -16.340 10.019 -12.936 1.00 24.19 H +ATOM 3105 N VAL A1084 -16.472 11.629 -15.824 1.00 23.20 N +ATOM 3106 CA VAL A1084 -17.230 11.864 -17.061 1.00 22.46 C +ATOM 3107 C VAL A1084 -16.304 12.246 -18.235 1.00 25.25 C +ATOM 3108 O VAL A1084 -16.537 11.767 -19.345 1.00 23.49 O +ATOM 3109 CB VAL A1084 -18.326 12.956 -16.899 1.00 25.40 C +ATOM 3110 CG1 VAL A1084 -19.030 13.368 -18.211 1.00 24.52 C +ATOM 3111 CG2 VAL A1084 -19.367 12.540 -15.842 1.00 25.38 C +ATOM 3112 H VAL A1084 -16.573 12.320 -15.095 1.00 23.20 H +ATOM 3113 HA VAL A1084 -17.732 10.931 -17.323 1.00 22.46 H +ATOM 3114 HB VAL A1084 -17.854 13.862 -16.534 1.00 25.40 H +ATOM 3115 HG11 VAL A1084 -19.754 14.158 -18.030 1.00 24.52 H +ATOM 3116 HG12 VAL A1084 -18.343 13.782 -18.947 1.00 24.52 H +ATOM 3117 HG13 VAL A1084 -19.551 12.528 -18.670 1.00 24.52 H +ATOM 3118 HG21 VAL A1084 -20.060 13.354 -15.634 1.00 25.38 H +ATOM 3119 HG22 VAL A1084 -19.950 11.679 -16.173 1.00 25.38 H +ATOM 3120 HG23 VAL A1084 -18.899 12.280 -14.892 1.00 25.38 H +ATOM 3121 N TRP A1085 -15.248 13.038 -17.962 1.00 23.54 N +ATOM 3122 CA TRP A1085 -14.170 13.324 -18.914 1.00 23.20 C +ATOM 3123 C TRP A1085 -13.433 12.047 -19.335 1.00 25.99 C +ATOM 3124 O TRP A1085 -13.230 11.842 -20.531 1.00 26.38 O +ATOM 3125 CB TRP A1085 -13.211 14.394 -18.346 1.00 22.62 C +ATOM 3126 CG TRP A1085 -12.091 14.851 -19.246 1.00 22.84 C +ATOM 3127 CD1 TRP A1085 -11.037 14.099 -19.640 1.00 25.30 C +ATOM 3128 CD2 TRP A1085 -11.897 16.153 -19.882 1.00 22.79 C +ATOM 3129 NE1 TRP A1085 -10.244 14.812 -20.508 1.00 24.54 N +ATOM 3130 CE2 TRP A1085 -10.726 16.086 -20.698 1.00 26.50 C +ATOM 3131 CE3 TRP A1085 -12.581 17.390 -19.855 1.00 24.28 C +ATOM 3132 CZ2 TRP A1085 -10.282 17.172 -21.467 1.00 26.19 C +ATOM 3133 CZ3 TRP A1085 -12.134 18.493 -20.612 1.00 25.94 C +ATOM 3134 CH2 TRP A1085 -10.989 18.385 -21.423 1.00 26.22 C +ATOM 3135 H TRP A1085 -15.123 13.393 -17.024 1.00 23.54 H +ATOM 3136 HA TRP A1085 -14.619 13.725 -19.819 1.00 23.20 H +ATOM 3137 HB3 TRP A1085 -12.760 14.034 -17.421 1.00 22.62 H +ATOM 3138 HB2 TRP A1085 -13.789 15.277 -18.071 1.00 22.62 H +ATOM 3139 HD1 TRP A1085 -10.868 13.079 -19.336 1.00 25.30 H +ATOM 3140 HE1 TRP A1085 -9.406 14.429 -20.924 1.00 24.54 H +ATOM 3141 HE3 TRP A1085 -13.466 17.489 -19.248 1.00 24.28 H +ATOM 3142 HZ2 TRP A1085 -9.401 17.070 -22.079 1.00 26.19 H +ATOM 3143 HZ3 TRP A1085 -12.672 19.427 -20.573 1.00 25.94 H +ATOM 3144 HH2 TRP A1085 -10.652 19.231 -22.001 1.00 26.22 H +ATOM 3145 N SER A1086 -13.079 11.209 -18.347 1.00 23.27 N +ATOM 3146 CA SER A1086 -12.407 9.928 -18.550 1.00 22.29 C +ATOM 3147 C SER A1086 -13.270 8.924 -19.338 1.00 25.76 C +ATOM 3148 O SER A1086 -12.706 8.162 -20.119 1.00 25.35 O +ATOM 3149 CB SER A1086 -11.989 9.349 -17.189 1.00 24.31 C +ATOM 3150 OG SER A1086 -11.166 10.252 -16.476 1.00 27.11 O +ATOM 3151 H SER A1086 -13.267 11.460 -17.386 1.00 23.27 H +ATOM 3152 HA SER A1086 -11.506 10.115 -19.138 1.00 22.29 H +ATOM 3153 HB3 SER A1086 -11.427 8.427 -17.330 1.00 24.31 H +ATOM 3154 HB2 SER A1086 -12.859 9.106 -16.580 1.00 24.31 H +ATOM 3155 HG SER A1086 -10.432 10.513 -17.045 1.00 27.11 H +ATOM 3156 N PHE A1087 -14.608 8.987 -19.178 1.00 22.49 N +ATOM 3157 CA PHE A1087 -15.587 8.284 -20.009 1.00 21.87 C +ATOM 3158 C PHE A1087 -15.611 8.758 -21.470 1.00 26.76 C +ATOM 3159 O PHE A1087 -15.767 7.919 -22.352 1.00 27.22 O +ATOM 3160 CB PHE A1087 -16.997 8.277 -19.363 1.00 24.21 C +ATOM 3161 CG PHE A1087 -18.139 7.909 -20.302 1.00 25.86 C +ATOM 3162 CD1 PHE A1087 -18.283 6.574 -20.739 1.00 28.01 C +ATOM 3163 CD2 PHE A1087 -18.906 8.919 -20.923 1.00 26.70 C +ATOM 3164 CE1 PHE A1087 -19.176 6.268 -21.756 1.00 28.28 C +ATOM 3165 CE2 PHE A1087 -19.800 8.591 -21.933 1.00 28.37 C +ATOM 3166 CZ PHE A1087 -19.926 7.273 -22.354 1.00 26.26 C +ATOM 3167 H PHE A1087 -14.990 9.621 -18.488 1.00 22.49 H +ATOM 3168 HA PHE A1087 -15.269 7.240 -20.041 1.00 21.87 H +ATOM 3169 HB3 PHE A1087 -17.217 9.240 -18.905 1.00 24.21 H +ATOM 3170 HB2 PHE A1087 -17.006 7.553 -18.552 1.00 24.21 H +ATOM 3171 HD1 PHE A1087 -17.667 5.797 -20.315 1.00 28.01 H +ATOM 3172 HD2 PHE A1087 -18.776 9.952 -20.635 1.00 26.70 H +ATOM 3173 HE1 PHE A1087 -19.273 5.248 -22.095 1.00 28.28 H +ATOM 3174 HE2 PHE A1087 -20.382 9.367 -22.408 1.00 28.37 H +ATOM 3175 HZ PHE A1087 -20.610 7.032 -23.154 1.00 26.26 H +ATOM 3176 N GLY A1088 -15.450 10.070 -21.709 1.00 25.20 N +ATOM 3177 CA GLY A1088 -15.385 10.645 -23.053 1.00 24.53 C +ATOM 3178 C GLY A1088 -14.131 10.156 -23.796 1.00 25.56 C +ATOM 3179 O GLY A1088 -14.205 9.891 -24.994 1.00 24.64 O +ATOM 3180 H GLY A1088 -15.345 10.707 -20.930 1.00 25.20 H +ATOM 3181 HA3 GLY A1088 -15.359 11.732 -22.975 1.00 24.53 H +ATOM 3182 HA2 GLY A1088 -16.283 10.384 -23.615 1.00 24.53 H +ATOM 3183 N VAL A1089 -13.001 9.999 -23.080 1.00 22.27 N +ATOM 3184 CA VAL A1089 -11.755 9.447 -23.616 1.00 21.54 C +ATOM 3185 C VAL A1089 -11.816 7.906 -23.762 1.00 25.32 C +ATOM 3186 O VAL A1089 -11.212 7.381 -24.695 1.00 25.91 O +ATOM 3187 CB VAL A1089 -10.513 9.858 -22.769 1.00 24.92 C +ATOM 3188 CG1 VAL A1089 -9.183 9.337 -23.345 1.00 24.42 C +ATOM 3189 CG2 VAL A1089 -10.398 11.388 -22.628 1.00 24.24 C +ATOM 3190 H VAL A1089 -13.002 10.231 -22.095 1.00 22.27 H +ATOM 3191 HA VAL A1089 -11.608 9.856 -24.615 1.00 21.54 H +ATOM 3192 HB VAL A1089 -10.623 9.444 -21.765 1.00 24.92 H +ATOM 3193 HG11 VAL A1089 -8.331 9.673 -22.754 1.00 24.42 H +ATOM 3194 HG12 VAL A1089 -9.137 8.251 -23.366 1.00 24.42 H +ATOM 3195 HG13 VAL A1089 -9.036 9.694 -24.364 1.00 24.42 H +ATOM 3196 HG21 VAL A1089 -9.485 11.676 -22.108 1.00 24.24 H +ATOM 3197 HG22 VAL A1089 -10.385 11.875 -23.603 1.00 24.24 H +ATOM 3198 HG23 VAL A1089 -11.223 11.805 -22.057 1.00 24.24 H +ATOM 3199 N THR A1090 -12.593 7.214 -22.906 1.00 22.27 N +ATOM 3200 CA THR A1090 -12.893 5.783 -23.050 1.00 21.73 C +ATOM 3201 C THR A1090 -13.783 5.509 -24.277 1.00 24.89 C +ATOM 3202 O THR A1090 -13.476 4.596 -25.036 1.00 24.37 O +ATOM 3203 CB THR A1090 -13.613 5.183 -21.810 1.00 26.43 C +ATOM 3204 OG1 THR A1090 -12.827 5.391 -20.661 1.00 23.21 O +ATOM 3205 CG2 THR A1090 -13.896 3.670 -21.886 1.00 26.50 C +ATOM 3206 H THR A1090 -13.057 7.698 -22.150 1.00 22.27 H +ATOM 3207 HA THR A1090 -11.949 5.252 -23.188 1.00 21.73 H +ATOM 3208 HB THR A1090 -14.559 5.696 -21.645 1.00 26.43 H +ATOM 3209 HG1 THR A1090 -12.719 6.338 -20.518 1.00 23.21 H +ATOM 3210 HG21 THR A1090 -14.264 3.296 -20.930 1.00 26.50 H +ATOM 3211 HG22 THR A1090 -14.650 3.431 -22.636 1.00 26.50 H +ATOM 3212 HG23 THR A1090 -12.992 3.112 -22.132 1.00 26.50 H +ATOM 3213 N LEU A1091 -14.829 6.332 -24.467 1.00 21.38 N +ATOM 3214 CA LEU A1091 -15.745 6.320 -25.609 1.00 21.26 C +ATOM 3215 C LEU A1091 -15.020 6.599 -26.937 1.00 25.55 C +ATOM 3216 O LEU A1091 -15.332 5.948 -27.932 1.00 24.92 O +ATOM 3217 CB LEU A1091 -16.892 7.325 -25.339 1.00 21.18 C +ATOM 3218 CG LEU A1091 -18.034 7.349 -26.382 1.00 26.34 C +ATOM 3219 CD1 LEU A1091 -18.730 5.979 -26.497 1.00 27.66 C +ATOM 3220 CD2 LEU A1091 -19.033 8.487 -26.080 1.00 28.91 C +ATOM 3221 H LEU A1091 -15.019 7.045 -23.773 1.00 21.38 H +ATOM 3222 HA LEU A1091 -16.162 5.313 -25.666 1.00 21.26 H +ATOM 3223 HB3 LEU A1091 -16.466 8.326 -25.257 1.00 21.18 H +ATOM 3224 HB2 LEU A1091 -17.330 7.110 -24.363 1.00 21.18 H +ATOM 3225 HG LEU A1091 -17.602 7.577 -27.356 1.00 26.34 H +ATOM 3226 HD11 LEU A1091 -19.813 6.060 -26.590 1.00 27.66 H +ATOM 3227 HD12 LEU A1091 -18.377 5.432 -27.370 1.00 27.66 H +ATOM 3228 HD13 LEU A1091 -18.523 5.355 -25.628 1.00 27.66 H +ATOM 3229 HD21 LEU A1091 -19.140 9.146 -26.942 1.00 28.91 H +ATOM 3230 HD22 LEU A1091 -20.028 8.121 -25.826 1.00 28.91 H +ATOM 3231 HD23 LEU A1091 -18.708 9.107 -25.243 1.00 28.91 H +ATOM 3232 N TYR A1092 -14.024 7.504 -26.907 1.00 23.80 N +ATOM 3233 CA TYR A1092 -13.089 7.753 -28.003 1.00 23.59 C +ATOM 3234 C TYR A1092 -12.306 6.489 -28.397 1.00 28.07 C +ATOM 3235 O TYR A1092 -12.282 6.162 -29.582 1.00 28.26 O +ATOM 3236 CB TYR A1092 -12.168 8.941 -27.648 1.00 24.03 C +ATOM 3237 CG TYR A1092 -11.025 9.192 -28.616 1.00 25.49 C +ATOM 3238 CD1 TYR A1092 -11.287 9.696 -29.905 1.00 27.64 C +ATOM 3239 CD2 TYR A1092 -9.702 8.876 -28.243 1.00 25.28 C +ATOM 3240 CE1 TYR A1092 -10.233 9.864 -30.822 1.00 27.61 C +ATOM 3241 CE2 TYR A1092 -8.647 9.062 -29.155 1.00 25.84 C +ATOM 3242 CZ TYR A1092 -8.915 9.554 -30.448 1.00 31.24 C +ATOM 3243 OH TYR A1092 -7.909 9.719 -31.350 1.00 30.99 O +ATOM 3244 H TYR A1092 -13.848 8.011 -26.050 1.00 23.80 H +ATOM 3245 HA TYR A1092 -13.688 8.047 -28.868 1.00 23.59 H +ATOM 3246 HB3 TYR A1092 -11.730 8.777 -26.669 1.00 24.03 H +ATOM 3247 HB2 TYR A1092 -12.754 9.851 -27.542 1.00 24.03 H +ATOM 3248 HD1 TYR A1092 -12.297 9.924 -30.208 1.00 27.64 H +ATOM 3249 HD2 TYR A1092 -9.495 8.481 -27.260 1.00 25.28 H +ATOM 3250 HE1 TYR A1092 -10.434 10.207 -31.825 1.00 27.61 H +ATOM 3251 HE2 TYR A1092 -7.637 8.820 -28.857 1.00 25.84 H +ATOM 3252 HH TYR A1092 -7.096 9.292 -31.059 1.00 30.99 H +ATOM 3253 N GLU A1093 -11.739 5.775 -27.406 1.00 24.82 N +ATOM 3254 CA GLU A1093 -11.058 4.494 -27.611 1.00 23.87 C +ATOM 3255 C GLU A1093 -11.946 3.400 -28.227 1.00 29.02 C +ATOM 3256 O GLU A1093 -11.450 2.684 -29.091 1.00 29.63 O +ATOM 3257 CB GLU A1093 -10.397 3.986 -26.317 1.00 24.44 C +ATOM 3258 CG GLU A1093 -9.179 4.808 -25.867 1.00 27.04 C +ATOM 3259 CD GLU A1093 -8.561 4.212 -24.600 1.00 39.48 C +ATOM 3260 OE1 GLU A1093 -9.168 4.384 -23.519 1.00 26.77 O +ATOM 3261 OE2 GLU A1093 -7.496 3.567 -24.730 1.00 32.38 O1- +ATOM 3262 H GLU A1093 -11.802 6.100 -26.450 1.00 24.82 H +ATOM 3263 HA GLU A1093 -10.254 4.683 -28.324 1.00 23.87 H +ATOM 3264 HB3 GLU A1093 -10.085 2.949 -26.449 1.00 24.44 H +ATOM 3265 HB2 GLU A1093 -11.128 3.966 -25.513 1.00 24.44 H +ATOM 3266 HG3 GLU A1093 -9.451 5.846 -25.683 1.00 27.04 H +ATOM 3267 HG2 GLU A1093 -8.438 4.829 -26.667 1.00 27.04 H +ATOM 3268 N LEU A1094 -13.229 3.304 -27.826 1.00 26.56 N +ATOM 3269 CA LEU A1094 -14.162 2.314 -28.382 1.00 27.12 C +ATOM 3270 C LEU A1094 -14.446 2.543 -29.878 1.00 29.23 C +ATOM 3271 O LEU A1094 -14.456 1.573 -30.634 1.00 30.58 O +ATOM 3272 CB LEU A1094 -15.493 2.254 -27.592 1.00 27.75 C +ATOM 3273 CG LEU A1094 -15.398 2.011 -26.068 1.00 33.45 C +ATOM 3274 CD1 LEU A1094 -16.771 1.648 -25.465 1.00 34.25 C +ATOM 3275 CD2 LEU A1094 -14.313 1.001 -25.656 1.00 37.20 C +ATOM 3276 H LEU A1094 -13.583 3.919 -27.106 1.00 26.56 H +ATOM 3277 HA LEU A1094 -13.679 1.339 -28.302 1.00 27.12 H +ATOM 3278 HB3 LEU A1094 -16.088 1.450 -28.026 1.00 27.75 H +ATOM 3279 HB2 LEU A1094 -16.069 3.165 -27.760 1.00 27.75 H +ATOM 3280 HG LEU A1094 -15.130 2.961 -25.620 1.00 33.45 H +ATOM 3281 HD11 LEU A1094 -17.030 2.324 -24.649 1.00 34.25 H +ATOM 3282 HD12 LEU A1094 -17.573 1.715 -26.201 1.00 34.25 H +ATOM 3283 HD13 LEU A1094 -16.787 0.634 -25.065 1.00 34.25 H +ATOM 3284 HD21 LEU A1094 -14.453 0.677 -24.626 1.00 37.20 H +ATOM 3285 HD22 LEU A1094 -14.323 0.116 -26.291 1.00 37.20 H +ATOM 3286 HD23 LEU A1094 -13.318 1.445 -25.708 1.00 37.20 H +ATOM 3287 N LEU A1095 -14.634 3.815 -30.277 1.00 26.35 N +ATOM 3288 CA LEU A1095 -14.922 4.222 -31.655 1.00 28.85 C +ATOM 3289 C LEU A1095 -13.691 4.141 -32.587 1.00 32.34 C +ATOM 3290 O LEU A1095 -13.884 3.924 -33.783 1.00 33.48 O +ATOM 3291 CB LEU A1095 -15.551 5.639 -31.667 1.00 29.95 C +ATOM 3292 CG LEU A1095 -17.086 5.741 -31.465 1.00 37.01 C +ATOM 3293 CD1 LEU A1095 -17.894 4.984 -32.537 1.00 41.99 C +ATOM 3294 CD2 LEU A1095 -17.578 5.411 -30.046 1.00 37.43 C +ATOM 3295 H LEU A1095 -14.600 4.558 -29.591 1.00 26.35 H +ATOM 3296 HA LEU A1095 -15.647 3.513 -32.057 1.00 28.85 H +ATOM 3297 HB3 LEU A1095 -15.348 6.103 -32.633 1.00 29.95 H +ATOM 3298 HB2 LEU A1095 -15.044 6.272 -30.937 1.00 29.95 H +ATOM 3299 HG LEU A1095 -17.324 6.795 -31.611 1.00 37.01 H +ATOM 3300 HD11 LEU A1095 -18.607 5.649 -33.025 1.00 41.99 H +ATOM 3301 HD12 LEU A1095 -17.259 4.570 -33.315 1.00 41.99 H +ATOM 3302 HD13 LEU A1095 -18.455 4.148 -32.117 1.00 41.99 H +ATOM 3303 HD21 LEU A1095 -18.592 5.010 -30.043 1.00 37.43 H +ATOM 3304 HD22 LEU A1095 -16.952 4.683 -29.540 1.00 37.43 H +ATOM 3305 HD23 LEU A1095 -17.598 6.316 -29.439 1.00 37.43 H +ATOM 3306 N THR A1096 -12.463 4.270 -32.048 1.00 28.49 N +ATOM 3307 CA THR A1096 -11.211 4.010 -32.781 1.00 28.46 C +ATOM 3308 C THR A1096 -10.827 2.509 -32.803 1.00 34.09 C +ATOM 3309 O THR A1096 -9.838 2.164 -33.450 1.00 34.31 O +ATOM 3310 CB THR A1096 -10.004 4.801 -32.195 1.00 31.93 C +ATOM 3311 OG1 THR A1096 -9.625 4.359 -30.905 1.00 28.23 O +ATOM 3312 CG2 THR A1096 -10.195 6.324 -32.179 1.00 33.74 C +ATOM 3313 H THR A1096 -12.372 4.473 -31.062 1.00 28.49 H +ATOM 3314 HA THR A1096 -11.332 4.328 -33.817 1.00 28.46 H +ATOM 3315 HB THR A1096 -9.137 4.612 -32.829 1.00 31.93 H +ATOM 3316 HG1 THR A1096 -10.293 4.649 -30.278 1.00 28.23 H +ATOM 3317 HG21 THR A1096 -9.347 6.825 -31.713 1.00 33.74 H +ATOM 3318 HG22 THR A1096 -10.293 6.715 -33.189 1.00 33.74 H +ATOM 3319 HG23 THR A1096 -11.087 6.621 -31.639 1.00 33.74 H +ATOM 3320 N HIS A1097 -11.594 1.653 -32.095 1.00 31.69 N +ATOM 3321 CA HIS A1097 -11.361 0.215 -31.891 1.00 31.97 C +ATOM 3322 C HIS A1097 -10.047 -0.093 -31.148 1.00 33.69 C +ATOM 3323 O HIS A1097 -9.450 -1.149 -31.353 1.00 33.12 O +ATOM 3324 CB HIS A1097 -11.530 -0.589 -33.202 1.00 35.14 C +ATOM 3325 CG HIS A1097 -12.916 -0.517 -33.787 1.00 40.55 C +ATOM 3326 ND1 HIS A1097 -13.343 0.536 -34.604 1.00 43.74 N +ATOM 3327 CD2 HIS A1097 -13.957 -1.407 -33.625 1.00 43.94 C +ATOM 3328 CE1 HIS A1097 -14.606 0.250 -34.893 1.00 44.01 C +ATOM 3329 NE2 HIS A1097 -15.020 -0.891 -34.343 1.00 44.57 N +ATOM 3330 H HIS A1097 -12.398 2.025 -31.609 1.00 31.69 H +ATOM 3331 HA HIS A1097 -12.148 -0.111 -31.211 1.00 31.97 H +ATOM 3332 HB3 HIS A1097 -11.315 -1.644 -33.032 1.00 35.14 H +ATOM 3333 HB2 HIS A1097 -10.816 -0.259 -33.956 1.00 35.14 H +ATOM 3334 HD2 HIS A1097 -14.025 -2.330 -33.068 1.00 43.94 H +ATOM 3335 HE1 HIS A1097 -15.232 0.879 -35.509 1.00 44.01 H +ATOM 3336 HE2 HIS A1097 -15.943 -1.300 -34.424 1.00 44.57 H +ATOM 3337 N CYS A1098 -9.635 0.849 -30.284 1.00 28.70 N +ATOM 3338 CA CYS A1098 -8.459 0.818 -29.414 1.00 27.70 C +ATOM 3339 C CYS A1098 -7.134 0.705 -30.195 1.00 30.22 C +ATOM 3340 O CYS A1098 -6.174 0.118 -29.693 1.00 27.75 O +ATOM 3341 CB CYS A1098 -8.584 -0.241 -28.302 1.00 27.86 C +ATOM 3342 SG CYS A1098 -10.045 0.106 -27.282 1.00 31.27 S +ATOM 3343 H CYS A1098 -10.217 1.669 -30.171 1.00 28.70 H +ATOM 3344 HA CYS A1098 -8.425 1.797 -28.932 1.00 27.70 H +ATOM 3345 HB3 CYS A1098 -7.706 -0.221 -27.657 1.00 27.86 H +ATOM 3346 HB2 CYS A1098 -8.662 -1.246 -28.714 1.00 27.86 H +ATOM 3347 HG CYS A1098 -10.024 -1.048 -26.609 1.00 31.27 H +ATOM 3348 N ASP A1099 -7.110 1.288 -31.408 1.00 28.20 N +ATOM 3349 CA ASP A1099 -5.946 1.390 -32.287 1.00 29.09 C +ATOM 3350 C ASP A1099 -4.855 2.230 -31.596 1.00 32.04 C +ATOM 3351 O ASP A1099 -5.133 3.351 -31.171 1.00 29.80 O +ATOM 3352 CB ASP A1099 -6.375 1.947 -33.672 1.00 31.01 C +ATOM 3353 CG ASP A1099 -5.315 2.085 -34.784 1.00 42.86 C +ATOM 3354 OD1 ASP A1099 -4.156 1.646 -34.609 1.00 44.82 O +ATOM 3355 OD2 ASP A1099 -5.707 2.610 -35.848 1.00 55.40 O1- +ATOM 3356 H ASP A1099 -7.951 1.733 -31.748 1.00 28.20 H +ATOM 3357 HA ASP A1099 -5.569 0.376 -32.435 1.00 29.09 H +ATOM 3358 HB3 ASP A1099 -6.858 2.915 -33.531 1.00 31.01 H +ATOM 3359 HB2 ASP A1099 -7.165 1.304 -34.061 1.00 31.01 H +ATOM 3360 N SER A1100 -3.647 1.652 -31.489 1.00 30.26 N +ATOM 3361 CA SER A1100 -2.479 2.243 -30.836 1.00 30.30 C +ATOM 3362 C SER A1100 -1.982 3.548 -31.488 1.00 34.31 C +ATOM 3363 O SER A1100 -1.508 4.423 -30.764 1.00 34.07 O +ATOM 3364 CB SER A1100 -1.374 1.174 -30.714 1.00 35.14 C +ATOM 3365 OG SER A1100 -0.815 0.834 -31.968 1.00 49.21 O +ATOM 3366 H SER A1100 -3.503 0.740 -31.898 1.00 30.26 H +ATOM 3367 HA SER A1100 -2.789 2.491 -29.821 1.00 30.30 H +ATOM 3368 HB3 SER A1100 -1.763 0.273 -30.240 1.00 35.14 H +ATOM 3369 HB2 SER A1100 -0.571 1.541 -30.074 1.00 35.14 H +ATOM 3370 HG SER A1100 -0.132 0.172 -31.833 1.00 49.21 H +ATOM 3371 N SER A1101 -2.147 3.682 -32.817 1.00 31.40 N +ATOM 3372 CA SER A1101 -1.847 4.906 -33.565 1.00 31.93 C +ATOM 3373 C SER A1101 -2.856 6.044 -33.304 1.00 35.91 C +ATOM 3374 O SER A1101 -2.488 7.208 -33.459 1.00 36.89 O +ATOM 3375 CB SER A1101 -1.696 4.569 -35.065 1.00 36.50 C +ATOM 3376 OG SER A1101 -2.933 4.379 -35.727 1.00 42.36 O +ATOM 3377 H SER A1101 -2.551 2.919 -33.345 1.00 31.40 H +ATOM 3378 HA SER A1101 -0.872 5.256 -33.221 1.00 31.93 H +ATOM 3379 HB3 SER A1101 -1.077 3.681 -35.202 1.00 36.50 H +ATOM 3380 HB2 SER A1101 -1.179 5.386 -35.571 1.00 36.50 H +ATOM 3381 HG SER A1101 -3.301 3.523 -35.478 1.00 42.36 H +ATOM 3382 N GLN A1102 -4.087 5.691 -32.898 1.00 29.85 N +ATOM 3383 CA GLN A1102 -5.165 6.622 -32.564 0.61 28.09 C +ATOM 3384 C GLN A1102 -5.327 6.837 -31.047 1.00 29.55 C +ATOM 3385 O GLN A1102 -6.203 7.611 -30.667 1.00 27.73 O +ATOM 3386 CB GLN A1102 -6.487 6.126 -33.188 0.61 29.07 C +ATOM 3387 CG GLN A1102 -6.468 6.068 -34.727 0.61 37.94 C +ATOM 3388 CD GLN A1102 -7.858 5.791 -35.304 0.61 47.98 C +ATOM 3389 OE1 GLN A1102 -8.732 6.654 -35.260 0.61 45.96 O +ATOM 3390 NE2 GLN A1102 -8.071 4.595 -35.854 0.61 43.70 N +ATOM 3391 H GLN A1102 -4.306 4.710 -32.787 1.00 29.85 H +ATOM 3392 HA GLN A1102 -4.955 7.599 -32.993 0.61 28.09 H +ATOM 3393 HB3 GLN A1102 -7.295 6.791 -32.880 0.61 29.07 H +ATOM 3394 HB2 GLN A1102 -6.737 5.143 -32.787 0.61 29.07 H +ATOM 3395 HG3 GLN A1102 -5.758 5.318 -35.076 0.61 37.94 H +ATOM 3396 HG2 GLN A1102 -6.126 7.023 -35.128 0.61 37.94 H +ATOM 3397 HE22 GLN A1102 -8.974 4.369 -36.245 0.61 43.70 H +ATOM 3398 HE21 GLN A1102 -7.328 3.905 -35.887 0.61 43.70 H +ATOM 3399 N SER A1103 -4.518 6.171 -30.202 1.00 26.76 N +ATOM 3400 CA SER A1103 -4.648 6.194 -28.739 1.00 25.27 C +ATOM 3401 C SER A1103 -4.433 7.600 -28.120 1.00 28.60 C +ATOM 3402 O SER A1103 -3.688 8.389 -28.705 1.00 28.62 O +ATOM 3403 CB SER A1103 -3.712 5.128 -28.130 1.00 27.32 C +ATOM 3404 OG SER A1103 -2.350 5.513 -28.131 1.00 35.29 O +ATOM 3405 H SER A1103 -3.813 5.553 -30.579 1.00 26.76 H +ATOM 3406 HA SER A1103 -5.670 5.864 -28.566 1.00 25.27 H +ATOM 3407 HB3 SER A1103 -3.821 4.181 -28.657 1.00 27.32 H +ATOM 3408 HB2 SER A1103 -3.998 4.933 -27.097 1.00 27.32 H +ATOM 3409 HG SER A1103 -1.997 5.423 -29.023 1.00 35.29 H +ATOM 3410 N PRO A1104 -5.061 7.895 -26.952 1.00 25.17 N +ATOM 3411 CA PRO A1104 -4.928 9.211 -26.291 1.00 24.67 C +ATOM 3412 C PRO A1104 -3.499 9.730 -26.009 1.00 26.87 C +ATOM 3413 O PRO A1104 -3.267 10.899 -26.315 1.00 25.99 O +ATOM 3414 CB PRO A1104 -5.798 9.114 -25.024 1.00 26.01 C +ATOM 3415 CG PRO A1104 -6.779 7.993 -25.321 1.00 29.46 C +ATOM 3416 CD PRO A1104 -6.010 7.045 -26.228 1.00 25.85 C +ATOM 3417 HA PRO A1104 -5.406 9.919 -26.966 1.00 24.67 H +ATOM 3418 HB3 PRO A1104 -6.310 10.051 -24.801 1.00 26.01 H +ATOM 3419 HB2 PRO A1104 -5.209 8.866 -24.141 1.00 26.01 H +ATOM 3420 HG3 PRO A1104 -7.626 8.401 -25.874 1.00 29.46 H +ATOM 3421 HG2 PRO A1104 -7.167 7.504 -24.428 1.00 29.46 H +ATOM 3422 HD2 PRO A1104 -5.461 6.308 -25.641 1.00 25.85 H +ATOM 3423 HD3 PRO A1104 -6.715 6.516 -26.867 1.00 25.85 H +ATOM 3424 N PRO A1105 -2.545 8.888 -25.533 1.00 24.58 N +ATOM 3425 CA PRO A1105 -1.135 9.301 -25.392 1.00 24.76 C +ATOM 3426 C PRO A1105 -0.448 9.701 -26.706 1.00 29.78 C +ATOM 3427 O PRO A1105 0.227 10.725 -26.721 1.00 30.24 O +ATOM 3428 CB PRO A1105 -0.441 8.101 -24.723 1.00 25.88 C +ATOM 3429 CG PRO A1105 -1.565 7.346 -24.039 1.00 29.87 C +ATOM 3430 CD PRO A1105 -2.729 7.539 -24.998 1.00 25.57 C +ATOM 3431 HA PRO A1105 -1.112 10.152 -24.711 1.00 24.76 H +ATOM 3432 HB3 PRO A1105 0.337 8.404 -24.023 1.00 25.88 H +ATOM 3433 HB2 PRO A1105 0.022 7.450 -25.467 1.00 25.88 H +ATOM 3434 HG3 PRO A1105 -1.797 7.826 -23.087 1.00 29.87 H +ATOM 3435 HG2 PRO A1105 -1.331 6.300 -23.843 1.00 29.87 H +ATOM 3436 HD2 PRO A1105 -2.664 6.822 -25.815 1.00 25.57 H +ATOM 3437 HD3 PRO A1105 -3.674 7.384 -24.485 1.00 25.57 H +ATOM 3438 N THR A1106 -0.655 8.915 -27.778 1.00 26.99 N +ATOM 3439 CA THR A1106 -0.082 9.159 -29.105 1.00 27.47 C +ATOM 3440 C THR A1106 -0.556 10.486 -29.725 1.00 31.84 C +ATOM 3441 O THR A1106 0.285 11.272 -30.156 1.00 32.09 O +ATOM 3442 CB THR A1106 -0.412 8.001 -30.088 1.00 33.90 C +ATOM 3443 OG1 THR A1106 0.170 6.812 -29.592 1.00 35.61 O +ATOM 3444 CG2 THR A1106 0.078 8.195 -31.536 1.00 32.59 C +ATOM 3445 H THR A1106 -1.227 8.087 -27.693 1.00 26.99 H +ATOM 3446 HA THR A1106 1.002 9.216 -28.987 1.00 27.47 H +ATOM 3447 HB THR A1106 -1.489 7.834 -30.114 1.00 33.90 H +ATOM 3448 HG1 THR A1106 1.120 6.857 -29.724 1.00 35.61 H +ATOM 3449 HG21 THR A1106 -0.041 7.280 -32.115 1.00 32.59 H +ATOM 3450 HG22 THR A1106 -0.487 8.971 -32.053 1.00 32.59 H +ATOM 3451 HG23 THR A1106 1.132 8.471 -31.567 1.00 32.59 H +ATOM 3452 N LYS A1107 -1.878 10.725 -29.722 1.00 27.48 N +ATOM 3453 CA LYS A1107 -2.497 11.898 -30.339 1.00 28.03 C +ATOM 3454 C LYS A1107 -2.258 13.209 -29.570 1.00 32.41 C +ATOM 3455 O LYS A1107 -2.159 14.251 -30.216 1.00 32.90 O +ATOM 3456 CB LYS A1107 -4.000 11.628 -30.554 1.00 29.00 C +ATOM 3457 CG LYS A1107 -4.312 10.420 -31.464 1.00 40.91 C +ATOM 3458 CD LYS A1107 -3.769 10.491 -32.902 1.00 47.46 C +ATOM 3459 CE LYS A1107 -4.438 11.569 -33.767 1.00 56.00 C +ATOM 3460 NZ LYS A1107 -3.872 11.592 -35.127 1.00 65.65 N1+ +ATOM 3461 H LYS A1107 -2.508 10.041 -29.325 1.00 27.48 H +ATOM 3462 HA LYS A1107 -2.032 12.042 -31.315 1.00 28.03 H +ATOM 3463 HB3 LYS A1107 -4.482 12.518 -30.961 1.00 29.00 H +ATOM 3464 HB2 LYS A1107 -4.466 11.454 -29.584 1.00 29.00 H +ATOM 3465 HG3 LYS A1107 -5.390 10.282 -31.503 1.00 40.91 H +ATOM 3466 HG2 LYS A1107 -3.923 9.513 -31.005 1.00 40.91 H +ATOM 3467 HD3 LYS A1107 -3.915 9.522 -33.375 1.00 47.46 H +ATOM 3468 HD2 LYS A1107 -2.688 10.629 -32.885 1.00 47.46 H +ATOM 3469 HE3 LYS A1107 -4.311 12.555 -33.322 1.00 56.00 H +ATOM 3470 HE2 LYS A1107 -5.511 11.382 -33.836 1.00 56.00 H +ATOM 3471 HZ1 LYS A1107 -2.883 11.805 -35.063 1.00 65.65 H +ATOM 3472 HZ2 LYS A1107 -3.989 10.690 -35.564 1.00 65.65 H +ATOM 3473 HZ3 LYS A1107 -4.332 12.302 -35.678 1.00 65.65 H +ATOM 3474 N PHE A1108 -2.126 13.149 -28.232 1.00 27.91 N +ATOM 3475 CA PHE A1108 -1.750 14.306 -27.413 1.00 26.74 C +ATOM 3476 C PHE A1108 -0.247 14.636 -27.462 1.00 30.76 C +ATOM 3477 O PHE A1108 0.088 15.817 -27.413 1.00 31.53 O +ATOM 3478 CB PHE A1108 -2.260 14.152 -25.963 1.00 27.18 C +ATOM 3479 CG PHE A1108 -3.748 14.410 -25.747 1.00 27.38 C +ATOM 3480 CD1 PHE A1108 -4.338 15.620 -26.175 1.00 29.59 C +ATOM 3481 CD2 PHE A1108 -4.535 13.501 -25.006 1.00 28.32 C +ATOM 3482 CE1 PHE A1108 -5.676 15.880 -25.906 1.00 30.31 C +ATOM 3483 CE2 PHE A1108 -5.869 13.780 -24.743 1.00 29.39 C +ATOM 3484 CZ PHE A1108 -6.436 14.965 -25.191 1.00 28.52 C +ATOM 3485 H PHE A1108 -2.238 12.267 -27.750 1.00 27.91 H +ATOM 3486 HA PHE A1108 -2.236 15.184 -27.840 1.00 26.74 H +ATOM 3487 HB3 PHE A1108 -1.723 14.828 -25.296 1.00 27.18 H +ATOM 3488 HB2 PHE A1108 -2.018 13.146 -25.617 1.00 27.18 H +ATOM 3489 HD1 PHE A1108 -3.755 16.359 -26.705 1.00 29.59 H +ATOM 3490 HD2 PHE A1108 -4.109 12.585 -24.631 1.00 28.32 H +ATOM 3491 HE1 PHE A1108 -6.124 16.803 -26.244 1.00 30.31 H +ATOM 3492 HE2 PHE A1108 -6.467 13.076 -24.184 1.00 29.39 H +ATOM 3493 HZ PHE A1108 -7.475 15.177 -24.981 1.00 28.52 H +ATOM 3494 N LEU A1109 0.631 13.624 -27.601 1.00 27.77 N +ATOM 3495 CA LEU A1109 2.081 13.818 -27.752 1.00 28.51 C +ATOM 3496 C LEU A1109 2.498 14.277 -29.163 1.00 34.25 C +ATOM 3497 O LEU A1109 3.593 14.819 -29.298 1.00 34.88 O +ATOM 3498 CB LEU A1109 2.843 12.549 -27.313 1.00 28.11 C +ATOM 3499 CG LEU A1109 2.825 12.312 -25.783 1.00 32.10 C +ATOM 3500 CD1 LEU A1109 3.321 10.894 -25.429 1.00 30.45 C +ATOM 3501 CD2 LEU A1109 3.585 13.410 -25.007 1.00 36.17 C +ATOM 3502 H LEU A1109 0.302 12.667 -27.623 1.00 27.77 H +ATOM 3503 HA LEU A1109 2.379 14.630 -27.088 1.00 28.51 H +ATOM 3504 HB3 LEU A1109 3.884 12.603 -27.637 1.00 28.11 H +ATOM 3505 HB2 LEU A1109 2.420 11.690 -27.837 1.00 28.11 H +ATOM 3506 HG LEU A1109 1.787 12.362 -25.453 1.00 32.10 H +ATOM 3507 HD11 LEU A1109 2.577 10.365 -24.832 1.00 30.45 H +ATOM 3508 HD12 LEU A1109 3.502 10.290 -26.318 1.00 30.45 H +ATOM 3509 HD13 LEU A1109 4.250 10.899 -24.859 1.00 30.45 H +ATOM 3510 HD21 LEU A1109 4.237 13.010 -24.231 1.00 36.17 H +ATOM 3511 HD22 LEU A1109 4.208 14.015 -25.665 1.00 36.17 H +ATOM 3512 HD23 LEU A1109 2.885 14.084 -24.514 1.00 36.17 H +ATOM 3513 N GLU A1110 1.616 14.123 -30.168 1.00 32.96 N +ATOM 3514 CA GLU A1110 1.739 14.772 -31.479 1.00 35.44 C +ATOM 3515 C GLU A1110 1.522 16.296 -31.405 1.00 38.81 C +ATOM 3516 O GLU A1110 2.192 17.025 -32.134 1.00 38.69 O +ATOM 3517 CB GLU A1110 0.750 14.135 -32.476 1.00 36.99 C +ATOM 3518 CG GLU A1110 1.192 12.746 -32.992 1.00 47.30 C +ATOM 3519 CD GLU A1110 0.134 11.978 -33.804 1.00 70.21 C +ATOM 3520 OE1 GLU A1110 -0.946 12.542 -34.093 1.00 64.58 O +ATOM 3521 OE2 GLU A1110 0.425 10.808 -34.133 1.00 65.32 O1- +ATOM 3522 H GLU A1110 0.753 13.625 -29.999 1.00 32.96 H +ATOM 3523 HA GLU A1110 2.753 14.610 -31.851 1.00 35.44 H +ATOM 3524 HB3 GLU A1110 0.592 14.799 -33.328 1.00 36.99 H +ATOM 3525 HB2 GLU A1110 -0.218 14.044 -31.985 1.00 36.99 H +ATOM 3526 HG3 GLU A1110 1.516 12.123 -32.161 1.00 47.30 H +ATOM 3527 HG2 GLU A1110 2.074 12.871 -33.623 1.00 47.30 H +ATOM 3528 N LEU A1111 0.611 16.743 -30.521 1.00 35.92 N +ATOM 3529 CA LEU A1111 0.303 18.157 -30.284 1.00 37.14 C +ATOM 3530 C LEU A1111 1.353 18.842 -29.390 1.00 40.62 C +ATOM 3531 O LEU A1111 1.683 20.001 -29.637 1.00 41.55 O +ATOM 3532 CB LEU A1111 -1.100 18.286 -29.644 1.00 36.92 C +ATOM 3533 CG LEU A1111 -2.273 17.800 -30.526 1.00 41.87 C +ATOM 3534 CD1 LEU A1111 -3.578 17.699 -29.705 1.00 41.05 C +ATOM 3535 CD2 LEU A1111 -2.441 18.655 -31.800 1.00 44.81 C +ATOM 3536 H LEU A1111 0.101 16.078 -29.957 1.00 35.92 H +ATOM 3537 HA LEU A1111 0.303 18.678 -31.243 1.00 37.14 H +ATOM 3538 HB3 LEU A1111 -1.284 19.325 -29.367 1.00 36.92 H +ATOM 3539 HB2 LEU A1111 -1.107 17.730 -28.706 1.00 36.92 H +ATOM 3540 HG LEU A1111 -2.042 16.787 -30.853 1.00 41.87 H +ATOM 3541 HD11 LEU A1111 -3.994 16.692 -29.761 1.00 41.05 H +ATOM 3542 HD12 LEU A1111 -3.415 17.916 -28.649 1.00 41.05 H +ATOM 3543 HD13 LEU A1111 -4.350 18.389 -30.046 1.00 41.05 H +ATOM 3544 HD21 LEU A1111 -3.472 18.962 -31.972 1.00 44.81 H +ATOM 3545 HD22 LEU A1111 -1.844 19.567 -31.762 1.00 44.81 H +ATOM 3546 HD23 LEU A1111 -2.125 18.096 -32.681 1.00 44.81 H +ATOM 3547 N ILE A1112 1.842 18.123 -28.365 1.00 34.80 N +ATOM 3548 CA ILE A1112 2.766 18.631 -27.346 1.00 34.93 C +ATOM 3549 C ILE A1112 4.239 18.587 -27.796 1.00 40.11 C +ATOM 3550 O ILE A1112 4.997 19.487 -27.436 1.00 41.74 O +ATOM 3551 CB ILE A1112 2.615 17.815 -26.022 1.00 36.99 C +ATOM 3552 CG1 ILE A1112 1.228 18.054 -25.388 1.00 35.84 C +ATOM 3553 CG2 ILE A1112 3.708 18.043 -24.954 1.00 37.00 C +ATOM 3554 CD1 ILE A1112 0.808 16.954 -24.405 1.00 35.00 C +ATOM 3555 H ILE A1112 1.498 17.183 -28.219 1.00 34.80 H +ATOM 3556 HA ILE A1112 2.515 19.672 -27.134 1.00 34.93 H +ATOM 3557 HB ILE A1112 2.669 16.761 -26.295 1.00 36.99 H +ATOM 3558 HG13 ILE A1112 0.463 18.116 -26.161 1.00 35.84 H +ATOM 3559 HG12 ILE A1112 1.214 19.021 -24.886 1.00 35.84 H +ATOM 3560 HG21 ILE A1112 3.493 17.501 -24.034 1.00 37.00 H +ATOM 3561 HG22 ILE A1112 4.688 17.703 -25.282 1.00 37.00 H +ATOM 3562 HG23 ILE A1112 3.793 19.097 -24.703 1.00 37.00 H +ATOM 3563 HD11 ILE A1112 -0.276 16.927 -24.307 1.00 35.00 H +ATOM 3564 HD12 ILE A1112 1.129 15.966 -24.736 1.00 35.00 H +ATOM 3565 HD13 ILE A1112 1.229 17.129 -23.417 1.00 35.00 H +ATOM 3566 N GLY A1113 4.617 17.533 -28.538 1.00 36.74 N +ATOM 3567 CA GLY A1113 6.008 17.156 -28.789 1.00 38.59 C +ATOM 3568 C GLY A1113 6.471 16.166 -27.705 1.00 41.94 C +ATOM 3569 O GLY A1113 5.731 15.850 -26.773 1.00 39.30 O +ATOM 3570 H GLY A1113 3.920 16.853 -28.811 1.00 36.74 H +ATOM 3571 HA3 GLY A1113 6.666 18.027 -28.805 1.00 38.59 H +ATOM 3572 HA2 GLY A1113 6.071 16.679 -29.767 1.00 38.59 H +ATOM 3573 N ILE A1114 7.709 15.666 -27.843 1.00 41.30 N +ATOM 3574 CA ILE A1114 8.312 14.672 -26.942 1.00 41.02 C +ATOM 3575 C ILE A1114 9.614 15.169 -26.271 1.00 47.14 C +ATOM 3576 O ILE A1114 10.237 14.399 -25.539 1.00 48.03 O +ATOM 3577 CB ILE A1114 8.584 13.328 -27.683 1.00 43.24 C +ATOM 3578 CG1 ILE A1114 9.561 13.449 -28.880 1.00 44.89 C +ATOM 3579 CG2 ILE A1114 7.262 12.648 -28.090 1.00 42.60 C +ATOM 3580 CD1 ILE A1114 10.065 12.096 -29.404 1.00 50.07 C +ATOM 3581 H ILE A1114 8.272 15.944 -28.634 1.00 41.30 H +ATOM 3582 HA ILE A1114 7.638 14.455 -26.112 1.00 41.02 H +ATOM 3583 HB ILE A1114 9.048 12.650 -26.965 1.00 43.24 H +ATOM 3584 HG13 ILE A1114 10.432 14.045 -28.610 1.00 44.89 H +ATOM 3585 HG12 ILE A1114 9.076 13.988 -29.694 1.00 44.89 H +ATOM 3586 HG21 ILE A1114 7.430 11.643 -28.479 1.00 42.60 H +ATOM 3587 HG22 ILE A1114 6.590 12.552 -27.236 1.00 42.60 H +ATOM 3588 HG23 ILE A1114 6.736 13.215 -28.859 1.00 42.60 H +ATOM 3589 HD11 ILE A1114 10.959 12.228 -30.015 1.00 50.07 H +ATOM 3590 HD12 ILE A1114 10.321 11.421 -28.587 1.00 50.07 H +ATOM 3591 HD13 ILE A1114 9.313 11.607 -30.023 1.00 50.07 H +ATOM 3592 N ALA A1115 9.989 16.439 -26.500 1.00 42.26 N +ATOM 3593 CA ALA A1115 11.195 17.068 -25.962 1.00 43.31 C +ATOM 3594 C ALA A1115 10.831 18.402 -25.292 1.00 48.36 C +ATOM 3595 O ALA A1115 11.298 19.457 -25.721 1.00 49.43 O +ATOM 3596 CB ALA A1115 12.224 17.216 -27.097 1.00 45.24 C +ATOM 3597 H ALA A1115 9.413 17.027 -27.087 1.00 42.26 H +ATOM 3598 HA ALA A1115 11.641 16.446 -25.184 1.00 43.31 H +ATOM 3599 HB1 ALA A1115 13.146 17.676 -26.740 1.00 45.24 H +ATOM 3600 HB2 ALA A1115 12.487 16.242 -27.512 1.00 45.24 H +ATOM 3601 HB3 ALA A1115 11.838 17.828 -27.913 1.00 45.24 H +ATOM 3602 N GLN A1116 9.982 18.318 -24.254 1.00 44.35 N +ATOM 3603 CA GLN A1116 9.446 19.464 -23.510 1.00 44.30 C +ATOM 3604 C GLN A1116 9.922 19.492 -22.044 1.00 49.79 C +ATOM 3605 O GLN A1116 9.462 20.350 -21.290 1.00 49.85 O +ATOM 3606 CB GLN A1116 7.900 19.439 -23.588 1.00 44.27 C +ATOM 3607 CG GLN A1116 7.303 19.433 -25.014 1.00 53.29 C +ATOM 3608 CD GLN A1116 7.840 20.521 -25.949 1.00 72.09 C +ATOM 3609 OE1 GLN A1116 8.267 20.225 -27.063 1.00 65.48 O +ATOM 3610 NE2 GLN A1116 7.826 21.781 -25.511 1.00 65.05 N +ATOM 3611 H GLN A1116 9.653 17.409 -23.956 1.00 44.35 H +ATOM 3612 HA GLN A1116 9.805 20.398 -23.943 1.00 44.30 H +ATOM 3613 HB3 GLN A1116 7.497 20.301 -23.054 1.00 44.27 H +ATOM 3614 HB2 GLN A1116 7.522 18.568 -23.052 1.00 44.27 H +ATOM 3615 HG3 GLN A1116 6.221 19.530 -24.953 1.00 53.29 H +ATOM 3616 HG2 GLN A1116 7.485 18.463 -25.480 1.00 53.29 H +ATOM 3617 HE22 GLN A1116 8.175 22.521 -26.103 1.00 65.05 H +ATOM 3618 HE21 GLN A1116 7.469 22.004 -24.594 1.00 65.05 H +ATOM 3619 N GLY A1117 10.831 18.577 -21.659 1.00 46.41 N +ATOM 3620 CA GLY A1117 11.361 18.464 -20.301 1.00 44.66 C +ATOM 3621 C GLY A1117 10.271 17.937 -19.360 1.00 42.63 C +ATOM 3622 O GLY A1117 9.603 16.949 -19.668 1.00 37.23 O +ATOM 3623 H GLY A1117 11.162 17.905 -22.336 1.00 46.41 H +ATOM 3624 HA3 GLY A1117 11.740 19.430 -19.963 1.00 44.66 H +ATOM 3625 HA2 GLY A1117 12.199 17.767 -20.302 1.00 44.66 H +ATOM 3626 N GLN A1118 10.110 18.612 -18.211 1.00 39.82 N +ATOM 3627 CA GLN A1118 9.091 18.337 -17.193 1.00 38.37 C +ATOM 3628 C GLN A1118 7.692 18.895 -17.536 1.00 40.30 C +ATOM 3629 O GLN A1118 6.770 18.682 -16.750 1.00 41.07 O +ATOM 3630 CB GLN A1118 9.576 18.911 -15.842 1.00 41.27 C +ATOM 3631 CG GLN A1118 10.829 18.211 -15.282 1.00 52.25 C +ATOM 3632 CD GLN A1118 11.327 18.881 -14.000 1.00 66.80 C +ATOM 3633 OE1 GLN A1118 11.668 20.062 -14.007 1.00 64.29 O +ATOM 3634 NE2 GLN A1118 11.392 18.129 -12.900 1.00 50.92 N +ATOM 3635 H GLN A1118 10.696 19.418 -18.030 1.00 39.82 H +ATOM 3636 HA GLN A1118 8.987 17.257 -17.084 1.00 38.37 H +ATOM 3637 HB3 GLN A1118 8.783 18.826 -15.097 1.00 41.27 H +ATOM 3638 HB2 GLN A1118 9.761 19.980 -15.954 1.00 41.27 H +ATOM 3639 HG3 GLN A1118 11.642 18.246 -16.008 1.00 52.25 H +ATOM 3640 HG2 GLN A1118 10.618 17.156 -15.100 1.00 52.25 H +ATOM 3641 HE22 GLN A1118 11.726 18.530 -12.036 1.00 50.92 H +ATOM 3642 HE21 GLN A1118 11.110 17.160 -12.920 1.00 50.92 H +ATOM 3643 N MET A1119 7.551 19.616 -18.663 1.00 34.93 N +ATOM 3644 CA MET A1119 6.360 20.395 -19.015 1.00 34.58 C +ATOM 3645 C MET A1119 5.308 19.638 -19.851 1.00 34.58 C +ATOM 3646 O MET A1119 4.460 20.305 -20.440 1.00 34.71 O +ATOM 3647 CB MET A1119 6.782 21.709 -19.716 1.00 38.63 C +ATOM 3648 CG MET A1119 7.814 22.543 -18.945 1.00 44.95 C +ATOM 3649 SD MET A1119 8.155 24.143 -19.723 1.00 52.97 S +ATOM 3650 CE MET A1119 9.327 24.815 -18.517 1.00 51.70 C +ATOM 3651 H MET A1119 8.347 19.731 -19.276 1.00 34.93 H +ATOM 3652 HA MET A1119 5.856 20.686 -18.093 1.00 34.58 H +ATOM 3653 HB3 MET A1119 5.904 22.336 -19.879 1.00 38.63 H +ATOM 3654 HB2 MET A1119 7.173 21.487 -20.709 1.00 38.63 H +ATOM 3655 HG3 MET A1119 8.758 22.003 -18.860 1.00 44.95 H +ATOM 3656 HG2 MET A1119 7.459 22.724 -17.930 1.00 44.95 H +ATOM 3657 HE1 MET A1119 9.657 25.807 -18.826 1.00 51.70 H +ATOM 3658 HE2 MET A1119 8.860 24.897 -17.535 1.00 51.70 H +ATOM 3659 HE3 MET A1119 10.201 24.169 -18.434 1.00 51.70 H +ATOM 3660 N THR A1120 5.336 18.294 -19.903 1.00 29.62 N +ATOM 3661 CA THR A1120 4.363 17.497 -20.670 1.00 28.01 C +ATOM 3662 C THR A1120 2.905 17.673 -20.187 1.00 30.48 C +ATOM 3663 O THR A1120 2.028 17.901 -21.019 1.00 31.09 O +ATOM 3664 CB THR A1120 4.691 15.980 -20.660 1.00 32.05 C +ATOM 3665 OG1 THR A1120 6.025 15.785 -21.086 1.00 33.94 O +ATOM 3666 CG2 THR A1120 3.783 15.116 -21.560 1.00 34.10 C +ATOM 3667 H THR A1120 6.053 17.779 -19.411 1.00 29.62 H +ATOM 3668 HA THR A1120 4.411 17.844 -21.704 1.00 28.01 H +ATOM 3669 HB THR A1120 4.624 15.597 -19.641 1.00 32.05 H +ATOM 3670 HG1 THR A1120 6.069 15.932 -22.038 1.00 33.94 H +ATOM 3671 HG21 THR A1120 4.128 14.082 -21.588 1.00 34.10 H +ATOM 3672 HG22 THR A1120 2.752 15.096 -21.205 1.00 34.10 H +ATOM 3673 HG23 THR A1120 3.774 15.488 -22.585 1.00 34.10 H +ATOM 3674 N VAL A1121 2.686 17.612 -18.860 1.00 28.98 N +ATOM 3675 CA VAL A1121 1.380 17.810 -18.223 1.00 29.28 C +ATOM 3676 C VAL A1121 0.908 19.278 -18.255 1.00 34.54 C +ATOM 3677 O VAL A1121 -0.290 19.509 -18.419 1.00 33.68 O +ATOM 3678 CB VAL A1121 1.376 17.274 -16.760 1.00 33.58 C +ATOM 3679 CG1 VAL A1121 0.173 17.705 -15.891 1.00 33.26 C +ATOM 3680 CG2 VAL A1121 1.474 15.739 -16.759 1.00 32.88 C +ATOM 3681 H VAL A1121 3.458 17.417 -18.235 1.00 28.98 H +ATOM 3682 HA VAL A1121 0.651 17.227 -18.789 1.00 29.28 H +ATOM 3683 HB VAL A1121 2.272 17.645 -16.261 1.00 33.58 H +ATOM 3684 HG11 VAL A1121 0.165 17.181 -14.935 1.00 33.26 H +ATOM 3685 HG12 VAL A1121 0.191 18.770 -15.661 1.00 33.26 H +ATOM 3686 HG13 VAL A1121 -0.768 17.486 -16.396 1.00 33.26 H +ATOM 3687 HG21 VAL A1121 1.524 15.346 -15.744 1.00 32.88 H +ATOM 3688 HG22 VAL A1121 0.608 15.294 -17.250 1.00 32.88 H +ATOM 3689 HG23 VAL A1121 2.363 15.388 -17.284 1.00 32.88 H +ATOM 3690 N LEU A1122 1.847 20.236 -18.148 1.00 32.43 N +ATOM 3691 CA LEU A1122 1.598 21.673 -18.297 1.00 33.01 C +ATOM 3692 C LEU A1122 1.099 22.029 -19.707 1.00 36.61 C +ATOM 3693 O LEU A1122 0.150 22.796 -19.831 1.00 35.87 O +ATOM 3694 CB LEU A1122 2.884 22.451 -17.918 1.00 35.17 C +ATOM 3695 CG LEU A1122 2.849 23.988 -18.113 1.00 42.10 C +ATOM 3696 CD1 LEU A1122 1.722 24.660 -17.299 1.00 43.87 C +ATOM 3697 CD2 LEU A1122 4.234 24.610 -17.830 1.00 45.28 C +ATOM 3698 H LEU A1122 2.806 19.967 -17.976 1.00 32.43 H +ATOM 3699 HA LEU A1122 0.810 21.940 -17.590 1.00 33.01 H +ATOM 3700 HB3 LEU A1122 3.711 22.054 -18.507 1.00 35.17 H +ATOM 3701 HB2 LEU A1122 3.132 22.235 -16.878 1.00 35.17 H +ATOM 3702 HG LEU A1122 2.651 24.192 -19.166 1.00 42.10 H +ATOM 3703 HD11 LEU A1122 2.052 25.565 -16.789 1.00 43.87 H +ATOM 3704 HD12 LEU A1122 0.899 24.950 -17.953 1.00 43.87 H +ATOM 3705 HD13 LEU A1122 1.312 23.996 -16.538 1.00 43.87 H +ATOM 3706 HD21 LEU A1122 4.570 25.206 -18.680 1.00 45.28 H +ATOM 3707 HD22 LEU A1122 4.233 25.262 -16.957 1.00 45.28 H +ATOM 3708 HD23 LEU A1122 4.996 23.850 -17.653 1.00 45.28 H +ATOM 3709 N ARG A1123 1.731 21.443 -20.734 1.00 32.17 N +ATOM 3710 CA ARG A1123 1.421 21.686 -22.141 1.00 32.60 C +ATOM 3711 C ARG A1123 0.151 20.951 -22.609 1.00 33.95 C +ATOM 3712 O ARG A1123 -0.540 21.458 -23.492 1.00 32.13 O +ATOM 3713 CB ARG A1123 2.672 21.336 -22.961 1.00 37.04 C +ATOM 3714 CG ARG A1123 2.787 22.077 -24.308 1.00 59.77 C +ATOM 3715 CD ARG A1123 4.239 22.189 -24.819 1.00 74.58 C +ATOM 3716 NE ARG A1123 5.079 23.031 -23.939 1.00 91.08 N +ATOM 3717 CZ ARG A1123 5.246 24.366 -23.975 1.00107.84 C +ATOM 3718 NH1 ARG A1123 4.699 25.129 -24.932 1.00 95.16 N +ATOM 3719 NH2 ARG A1123 5.981 24.949 -23.019 1.00 96.44 N1+ +ATOM 3720 H ARG A1123 2.510 20.825 -20.549 1.00 32.17 H +ATOM 3721 HA ARG A1123 1.245 22.758 -22.236 1.00 32.60 H +ATOM 3722 HB3 ARG A1123 2.752 20.257 -23.093 1.00 37.04 H +ATOM 3723 HB2 ARG A1123 3.534 21.616 -22.360 1.00 37.04 H +ATOM 3724 HG3 ARG A1123 2.433 23.093 -24.130 1.00 59.77 H +ATOM 3725 HG2 ARG A1123 2.123 21.671 -25.072 1.00 59.77 H +ATOM 3726 HD3 ARG A1123 4.292 22.456 -25.875 1.00 74.58 H +ATOM 3727 HD2 ARG A1123 4.696 21.205 -24.744 1.00 74.58 H +ATOM 3728 HE ARG A1123 5.481 22.539 -23.154 1.00 91.08 H +ATOM 3729 HH12 ARG A1123 4.829 26.130 -24.932 1.00 95.16 H +ATOM 3730 HH11 ARG A1123 4.128 24.701 -25.646 1.00 95.16 H +ATOM 3731 HH22 ARG A1123 6.104 25.952 -23.010 1.00 96.44 H +ATOM 3732 HH21 ARG A1123 6.392 24.401 -22.277 1.00 96.44 H +ATOM 3733 N LEU A1124 -0.163 19.816 -21.955 1.00 29.63 N +ATOM 3734 CA LEU A1124 -1.446 19.118 -22.039 1.00 27.63 C +ATOM 3735 C LEU A1124 -2.583 19.955 -21.427 1.00 32.17 C +ATOM 3736 O LEU A1124 -3.643 20.041 -22.037 1.00 30.80 O +ATOM 3737 CB LEU A1124 -1.322 17.725 -21.380 1.00 26.83 C +ATOM 3738 CG LEU A1124 -2.600 16.852 -21.366 1.00 30.02 C +ATOM 3739 CD1 LEU A1124 -3.150 16.573 -22.783 1.00 28.94 C +ATOM 3740 CD2 LEU A1124 -2.354 15.557 -20.565 1.00 30.63 C +ATOM 3741 H LEU A1124 0.486 19.454 -21.270 1.00 29.63 H +ATOM 3742 HA LEU A1124 -1.672 18.973 -23.094 1.00 27.63 H +ATOM 3743 HB3 LEU A1124 -0.996 17.859 -20.350 1.00 26.83 H +ATOM 3744 HB2 LEU A1124 -0.524 17.166 -21.867 1.00 26.83 H +ATOM 3745 HG LEU A1124 -3.376 17.393 -20.825 1.00 30.02 H +ATOM 3746 HD11 LEU A1124 -3.515 15.553 -22.901 1.00 28.94 H +ATOM 3747 HD12 LEU A1124 -3.985 17.234 -23.014 1.00 28.94 H +ATOM 3748 HD13 LEU A1124 -2.398 16.733 -23.554 1.00 28.94 H +ATOM 3749 HD21 LEU A1124 -2.581 14.655 -21.130 1.00 30.63 H +ATOM 3750 HD22 LEU A1124 -1.320 15.467 -20.230 1.00 30.63 H +ATOM 3751 HD23 LEU A1124 -2.977 15.537 -19.672 1.00 30.63 H +ATOM 3752 N THR A1125 -2.341 20.590 -20.267 1.00 30.97 N +ATOM 3753 CA THR A1125 -3.293 21.503 -19.628 1.00 31.58 C +ATOM 3754 C THR A1125 -3.563 22.748 -20.495 1.00 35.29 C +ATOM 3755 O THR A1125 -4.727 23.088 -20.683 1.00 34.46 O +ATOM 3756 CB THR A1125 -2.815 21.967 -18.225 1.00 40.93 C +ATOM 3757 OG1 THR A1125 -2.653 20.835 -17.397 1.00 39.64 O +ATOM 3758 CG2 THR A1125 -3.752 22.944 -17.489 1.00 41.19 C +ATOM 3759 H THR A1125 -1.447 20.475 -19.810 1.00 30.97 H +ATOM 3760 HA THR A1125 -4.237 20.966 -19.507 1.00 31.58 H +ATOM 3761 HB THR A1125 -1.837 22.438 -18.306 1.00 40.93 H +ATOM 3762 HG1 THR A1125 -1.970 20.273 -17.779 1.00 39.64 H +ATOM 3763 HG21 THR A1125 -3.354 23.183 -16.503 1.00 41.19 H +ATOM 3764 HG22 THR A1125 -3.863 23.891 -18.017 1.00 41.19 H +ATOM 3765 HG23 THR A1125 -4.747 22.516 -17.355 1.00 41.19 H +ATOM 3766 N GLU A1126 -2.501 23.354 -21.055 1.00 33.17 N +ATOM 3767 CA GLU A1126 -2.566 24.520 -21.937 1.00 34.02 C +ATOM 3768 C GLU A1126 -3.390 24.304 -23.217 1.00 37.28 C +ATOM 3769 O GLU A1126 -4.219 25.161 -23.514 1.00 35.08 O +ATOM 3770 CB GLU A1126 -1.145 25.022 -22.260 1.00 36.83 C +ATOM 3771 CG GLU A1126 -0.478 25.766 -21.079 1.00 44.51 C +ATOM 3772 CD GLU A1126 1.013 26.106 -21.258 1.00 58.80 C +ATOM 3773 OE1 GLU A1126 1.542 26.769 -20.340 1.00 49.54 O +ATOM 3774 OE2 GLU A1126 1.614 25.715 -22.285 1.00 45.75 O1- +ATOM 3775 H GLU A1126 -1.571 23.011 -20.849 1.00 33.17 H +ATOM 3776 HA GLU A1126 -3.073 25.308 -21.376 1.00 34.02 H +ATOM 3777 HB3 GLU A1126 -1.164 25.684 -23.125 1.00 36.83 H +ATOM 3778 HB2 GLU A1126 -0.538 24.166 -22.553 1.00 36.83 H +ATOM 3779 HG3 GLU A1126 -0.586 25.189 -20.161 1.00 44.51 H +ATOM 3780 HG2 GLU A1126 -1.018 26.697 -20.904 1.00 44.51 H +ATOM 3781 N LEU A1127 -3.195 23.176 -23.930 1.00 34.11 N +ATOM 3782 CA LEU A1127 -3.971 22.859 -25.137 1.00 33.79 C +ATOM 3783 C LEU A1127 -5.452 22.557 -24.844 1.00 35.23 C +ATOM 3784 O LEU A1127 -6.301 22.939 -25.648 1.00 34.81 O +ATOM 3785 CB LEU A1127 -3.249 21.803 -26.014 1.00 33.69 C +ATOM 3786 CG LEU A1127 -3.258 20.319 -25.569 1.00 37.11 C +ATOM 3787 CD1 LEU A1127 -4.523 19.548 -25.994 1.00 35.27 C +ATOM 3788 CD2 LEU A1127 -2.011 19.576 -26.090 1.00 40.08 C +ATOM 3789 H LEU A1127 -2.497 22.503 -23.642 1.00 34.11 H +ATOM 3790 HA LEU A1127 -3.976 23.772 -25.737 1.00 33.79 H +ATOM 3791 HB3 LEU A1127 -2.214 22.134 -26.097 1.00 33.69 H +ATOM 3792 HB2 LEU A1127 -3.640 21.855 -27.029 1.00 33.69 H +ATOM 3793 HG LEU A1127 -3.207 20.304 -24.484 1.00 37.11 H +ATOM 3794 HD11 LEU A1127 -4.539 18.563 -25.527 1.00 35.27 H +ATOM 3795 HD12 LEU A1127 -5.448 20.040 -25.708 1.00 35.27 H +ATOM 3796 HD13 LEU A1127 -4.555 19.405 -27.074 1.00 35.27 H +ATOM 3797 HD21 LEU A1127 -2.255 18.606 -26.523 1.00 40.08 H +ATOM 3798 HD22 LEU A1127 -1.477 20.139 -26.856 1.00 40.08 H +ATOM 3799 HD23 LEU A1127 -1.309 19.395 -25.278 1.00 40.08 H +ATOM 3800 N LEU A1128 -5.743 21.935 -23.686 1.00 30.68 N +ATOM 3801 CA LEU A1128 -7.111 21.678 -23.226 1.00 29.82 C +ATOM 3802 C LEU A1128 -7.847 22.967 -22.795 1.00 37.95 C +ATOM 3803 O LEU A1128 -9.062 23.043 -22.974 1.00 37.53 O +ATOM 3804 CB LEU A1128 -7.117 20.628 -22.093 1.00 28.63 C +ATOM 3805 CG LEU A1128 -6.674 19.203 -22.508 1.00 31.65 C +ATOM 3806 CD1 LEU A1128 -6.485 18.311 -21.264 1.00 31.42 C +ATOM 3807 CD2 LEU A1128 -7.591 18.536 -23.546 1.00 31.56 C +ATOM 3808 H LEU A1128 -4.998 21.646 -23.067 1.00 30.68 H +ATOM 3809 HA LEU A1128 -7.653 21.266 -24.075 1.00 29.82 H +ATOM 3810 HB3 LEU A1128 -8.120 20.560 -21.670 1.00 28.63 H +ATOM 3811 HB2 LEU A1128 -6.477 20.990 -21.287 1.00 28.63 H +ATOM 3812 HG LEU A1128 -5.705 19.280 -22.993 1.00 31.65 H +ATOM 3813 HD11 LEU A1128 -5.690 17.585 -21.423 1.00 31.42 H +ATOM 3814 HD12 LEU A1128 -6.218 18.891 -20.380 1.00 31.42 H +ATOM 3815 HD13 LEU A1128 -7.389 17.754 -21.021 1.00 31.42 H +ATOM 3816 HD21 LEU A1128 -7.666 17.461 -23.387 1.00 31.56 H +ATOM 3817 HD22 LEU A1128 -8.598 18.949 -23.530 1.00 31.56 H +ATOM 3818 HD23 LEU A1128 -7.190 18.666 -24.551 1.00 31.56 H +ATOM 3819 N GLU A1129 -7.111 23.970 -22.287 1.00 37.30 N +ATOM 3820 CA GLU A1129 -7.635 25.303 -21.970 1.00 38.66 C +ATOM 3821 C GLU A1129 -7.913 26.163 -23.221 1.00 42.10 C +ATOM 3822 O GLU A1129 -8.814 26.998 -23.164 1.00 42.78 O +ATOM 3823 CB GLU A1129 -6.689 26.015 -20.977 1.00 41.41 C +ATOM 3824 CG GLU A1129 -6.651 25.380 -19.562 1.00 54.54 C +ATOM 3825 CD GLU A1129 -7.828 25.690 -18.623 1.00 90.90 C +ATOM 3826 OE1 GLU A1129 -8.701 26.512 -18.980 1.00 94.26 O +ATOM 3827 OE2 GLU A1129 -7.829 25.084 -17.528 1.00 91.13 O1- +ATOM 3828 H GLU A1129 -6.121 23.834 -22.132 1.00 37.30 H +ATOM 3829 HA GLU A1129 -8.598 25.171 -21.473 1.00 38.66 H +ATOM 3830 HB3 GLU A1129 -6.930 27.078 -20.910 1.00 41.41 H +ATOM 3831 HB2 GLU A1129 -5.677 25.987 -21.380 1.00 41.41 H +ATOM 3832 HG3 GLU A1129 -5.737 25.701 -19.061 1.00 54.54 H +ATOM 3833 HG2 GLU A1129 -6.588 24.297 -19.642 1.00 54.54 H +ATOM 3834 N ARG A1130 -7.197 25.913 -24.338 1.00 37.87 N +ATOM 3835 CA ARG A1130 -7.488 26.505 -25.654 1.00 37.84 C +ATOM 3836 C ARG A1130 -8.679 25.846 -26.380 1.00 41.63 C +ATOM 3837 O ARG A1130 -9.123 26.396 -27.388 1.00 42.60 O +ATOM 3838 CB ARG A1130 -6.245 26.462 -26.568 1.00 37.09 C +ATOM 3839 CG ARG A1130 -5.079 27.349 -26.098 1.00 43.14 C +ATOM 3840 CD ARG A1130 -3.989 27.550 -27.169 1.00 47.74 C +ATOM 3841 NE ARG A1130 -3.251 26.315 -27.492 1.00 51.85 N +ATOM 3842 CZ ARG A1130 -2.136 25.843 -26.909 1.00 60.61 C +ATOM 3843 NH1 ARG A1130 -1.551 26.467 -25.877 1.00 54.41 N +ATOM 3844 NH2 ARG A1130 -1.591 24.716 -27.381 1.00 41.74 N1+ +ATOM 3845 H ARG A1130 -6.457 25.226 -24.309 1.00 37.87 H +ATOM 3846 HA ARG A1130 -7.759 27.552 -25.510 1.00 37.84 H +ATOM 3847 HB3 ARG A1130 -6.529 26.801 -27.565 1.00 37.09 H +ATOM 3848 HB2 ARG A1130 -5.907 25.432 -26.692 1.00 37.09 H +ATOM 3849 HG3 ARG A1130 -4.631 26.862 -25.236 1.00 43.14 H +ATOM 3850 HG2 ARG A1130 -5.421 28.318 -25.734 1.00 43.14 H +ATOM 3851 HD3 ARG A1130 -3.337 28.392 -26.934 1.00 47.74 H +ATOM 3852 HD2 ARG A1130 -4.479 27.819 -28.105 1.00 47.74 H +ATOM 3853 HE ARG A1130 -3.654 25.755 -28.237 1.00 51.85 H +ATOM 3854 HH12 ARG A1130 -0.700 26.096 -25.473 1.00 54.41 H +ATOM 3855 HH11 ARG A1130 -1.958 27.309 -25.499 1.00 54.41 H +ATOM 3856 HH22 ARG A1130 -0.746 24.342 -26.971 1.00 41.74 H +ATOM 3857 HH21 ARG A1130 -2.025 24.233 -28.159 1.00 41.74 H +ATOM 3858 N GLY A1131 -9.182 24.706 -25.877 1.00 36.22 N +ATOM 3859 CA GLY A1131 -10.334 24.012 -26.448 1.00 35.40 C +ATOM 3860 C GLY A1131 -9.934 22.919 -27.454 1.00 37.10 C +ATOM 3861 O GLY A1131 -10.828 22.362 -28.092 1.00 36.00 O +ATOM 3862 H GLY A1131 -8.774 24.316 -25.039 1.00 36.22 H +ATOM 3863 HA3 GLY A1131 -11.019 24.712 -26.930 1.00 35.40 H +ATOM 3864 HA2 GLY A1131 -10.895 23.555 -25.634 1.00 35.40 H +ATOM 3865 N GLU A1132 -8.634 22.588 -27.593 1.00 32.13 N +ATOM 3866 CA GLU A1132 -8.152 21.484 -28.432 1.00 31.71 C +ATOM 3867 C GLU A1132 -8.485 20.127 -27.792 1.00 33.67 C +ATOM 3868 O GLU A1132 -8.215 19.932 -26.607 1.00 31.64 O +ATOM 3869 CB GLU A1132 -6.631 21.578 -28.673 1.00 33.82 C +ATOM 3870 CG GLU A1132 -6.147 22.930 -29.242 1.00 48.90 C +ATOM 3871 CD GLU A1132 -4.648 22.987 -29.588 1.00 65.96 C +ATOM 3872 OE1 GLU A1132 -4.020 21.920 -29.774 1.00 51.67 O +ATOM 3873 OE2 GLU A1132 -4.138 24.126 -29.661 1.00 68.15 O1- +ATOM 3874 H GLU A1132 -7.932 23.064 -27.043 1.00 32.13 H +ATOM 3875 HA GLU A1132 -8.650 21.555 -29.401 1.00 31.71 H +ATOM 3876 HB3 GLU A1132 -6.358 20.778 -29.363 1.00 33.82 H +ATOM 3877 HB2 GLU A1132 -6.092 21.366 -27.750 1.00 33.82 H +ATOM 3878 HG3 GLU A1132 -6.370 23.725 -28.528 1.00 48.90 H +ATOM 3879 HG2 GLU A1132 -6.708 23.164 -30.148 1.00 48.90 H +ATOM 3880 N ARG A1133 -9.057 19.223 -28.597 1.00 30.19 N +ATOM 3881 CA ARG A1133 -9.473 17.883 -28.189 1.00 28.71 C +ATOM 3882 C ARG A1133 -8.893 16.828 -29.135 1.00 31.32 C +ATOM 3883 O ARG A1133 -8.379 17.155 -30.206 1.00 31.52 O +ATOM 3884 CB ARG A1133 -11.020 17.801 -28.214 1.00 28.69 C +ATOM 3885 CG ARG A1133 -11.752 18.739 -27.243 1.00 29.69 C +ATOM 3886 CD ARG A1133 -11.467 18.447 -25.762 1.00 29.80 C +ATOM 3887 NE ARG A1133 -12.104 19.440 -24.888 1.00 30.88 N +ATOM 3888 CZ ARG A1133 -11.563 20.555 -24.375 1.00 38.38 C +ATOM 3889 NH1 ARG A1133 -10.304 20.910 -24.630 1.00 29.25 N +ATOM 3890 NH2 ARG A1133 -12.300 21.334 -23.580 1.00 30.33 N1+ +ATOM 3891 H ARG A1133 -9.206 19.449 -29.570 1.00 30.19 H +ATOM 3892 HA ARG A1133 -9.096 17.644 -27.194 1.00 28.71 H +ATOM 3893 HB3 ARG A1133 -11.338 16.783 -27.988 1.00 28.69 H +ATOM 3894 HB2 ARG A1133 -11.379 18.000 -29.226 1.00 28.69 H +ATOM 3895 HG3 ARG A1133 -12.811 18.534 -27.405 1.00 29.69 H +ATOM 3896 HG2 ARG A1133 -11.617 19.793 -27.488 1.00 29.69 H +ATOM 3897 HD3 ARG A1133 -10.416 18.278 -25.534 1.00 29.80 H +ATOM 3898 HD2 ARG A1133 -11.971 17.516 -25.507 1.00 29.80 H +ATOM 3899 HE ARG A1133 -13.080 19.267 -24.675 1.00 30.88 H +ATOM 3900 HH12 ARG A1133 -9.910 21.733 -24.190 1.00 29.25 H +ATOM 3901 HH11 ARG A1133 -9.729 20.358 -25.254 1.00 29.25 H +ATOM 3902 HH22 ARG A1133 -11.914 22.164 -23.147 1.00 30.33 H +ATOM 3903 HH21 ARG A1133 -13.242 21.051 -23.343 1.00 30.33 H +ATOM 3904 N LEU A1134 -9.066 15.559 -28.729 1.00 26.90 N +ATOM 3905 CA LEU A1134 -8.920 14.377 -29.578 1.00 26.48 C +ATOM 3906 C LEU A1134 -9.922 14.452 -30.755 1.00 31.07 C +ATOM 3907 O LEU A1134 -11.084 14.798 -30.519 1.00 29.22 O +ATOM 3908 CB LEU A1134 -9.227 13.131 -28.716 1.00 25.80 C +ATOM 3909 CG LEU A1134 -8.150 12.780 -27.669 1.00 28.43 C +ATOM 3910 CD1 LEU A1134 -8.687 11.804 -26.598 1.00 27.29 C +ATOM 3911 CD2 LEU A1134 -6.849 12.276 -28.328 1.00 31.24 C +ATOM 3912 H LEU A1134 -9.480 15.389 -27.824 1.00 26.90 H +ATOM 3913 HA LEU A1134 -7.887 14.366 -29.920 1.00 26.48 H +ATOM 3914 HB3 LEU A1134 -9.381 12.261 -29.356 1.00 25.80 H +ATOM 3915 HB2 LEU A1134 -10.176 13.294 -28.210 1.00 25.80 H +ATOM 3916 HG LEU A1134 -7.905 13.704 -27.146 1.00 28.43 H +ATOM 3917 HD11 LEU A1134 -8.685 12.274 -25.614 1.00 27.29 H +ATOM 3918 HD12 LEU A1134 -9.712 11.493 -26.801 1.00 27.29 H +ATOM 3919 HD13 LEU A1134 -8.090 10.896 -26.515 1.00 27.29 H +ATOM 3920 HD21 LEU A1134 -5.979 12.788 -27.916 1.00 31.24 H +ATOM 3921 HD22 LEU A1134 -6.702 11.207 -28.187 1.00 31.24 H +ATOM 3922 HD23 LEU A1134 -6.840 12.434 -29.405 1.00 31.24 H +ATOM 3923 N PRO A1135 -9.461 14.169 -31.996 1.00 29.27 N +ATOM 3924 CA PRO A1135 -10.301 14.292 -33.205 1.00 29.71 C +ATOM 3925 C PRO A1135 -11.454 13.274 -33.250 1.00 33.63 C +ATOM 3926 O PRO A1135 -11.470 12.330 -32.463 1.00 33.51 O +ATOM 3927 CB PRO A1135 -9.297 14.071 -34.350 1.00 32.38 C +ATOM 3928 CG PRO A1135 -8.239 13.155 -33.758 1.00 35.83 C +ATOM 3929 CD PRO A1135 -8.131 13.647 -32.322 1.00 30.45 C +ATOM 3930 HA PRO A1135 -10.724 15.296 -33.270 1.00 29.71 H +ATOM 3931 HB3 PRO A1135 -8.843 15.026 -34.619 1.00 32.38 H +ATOM 3932 HB2 PRO A1135 -9.741 13.657 -35.256 1.00 32.38 H +ATOM 3933 HG3 PRO A1135 -7.292 13.176 -34.297 1.00 35.83 H +ATOM 3934 HG2 PRO A1135 -8.608 12.128 -33.763 1.00 35.83 H +ATOM 3935 HD2 PRO A1135 -7.817 12.838 -31.661 1.00 30.45 H +ATOM 3936 HD3 PRO A1135 -7.405 14.459 -32.250 1.00 30.45 H +ATOM 3937 N ARG A1136 -12.403 13.485 -34.175 1.00 30.63 N +ATOM 3938 CA ARG A1136 -13.489 12.542 -34.449 1.00 30.68 C +ATOM 3939 C ARG A1136 -12.918 11.260 -35.101 1.00 36.51 C +ATOM 3940 O ARG A1136 -12.334 11.380 -36.180 1.00 36.37 O +ATOM 3941 CB ARG A1136 -14.520 13.239 -35.363 1.00 28.69 C +ATOM 3942 CG ARG A1136 -15.767 12.376 -35.663 1.00 33.51 C +ATOM 3943 CD ARG A1136 -16.813 13.052 -36.569 1.00 37.56 C +ATOM 3944 NE ARG A1136 -16.331 13.225 -37.953 1.00 52.22 N +ATOM 3945 CZ ARG A1136 -16.259 12.292 -38.924 1.00 71.16 C +ATOM 3946 NH1 ARG A1136 -15.719 12.622 -40.102 1.00 60.58 N +ATOM 3947 NH2 ARG A1136 -16.705 11.039 -38.758 1.00 53.25 N1+ +ATOM 3948 H ARG A1136 -12.337 14.282 -34.790 1.00 30.63 H +ATOM 3949 HA ARG A1136 -13.993 12.326 -33.513 1.00 30.68 H +ATOM 3950 HB3 ARG A1136 -14.041 13.534 -36.298 1.00 28.69 H +ATOM 3951 HB2 ARG A1136 -14.844 14.166 -34.889 1.00 28.69 H +ATOM 3952 HG3 ARG A1136 -16.235 11.998 -34.754 1.00 33.51 H +ATOM 3953 HG2 ARG A1136 -15.415 11.487 -36.185 1.00 33.51 H +ATOM 3954 HD3 ARG A1136 -16.962 14.070 -36.209 1.00 37.56 H +ATOM 3955 HD2 ARG A1136 -17.790 12.574 -36.506 1.00 37.56 H +ATOM 3956 HE ARG A1136 -15.958 14.141 -38.160 1.00 52.22 H +ATOM 3957 HH12 ARG A1136 -15.643 11.928 -40.833 1.00 60.58 H +ATOM 3958 HH11 ARG A1136 -15.369 13.555 -40.267 1.00 60.58 H +ATOM 3959 HH22 ARG A1136 -16.616 10.365 -39.509 1.00 53.25 H +ATOM 3960 HH21 ARG A1136 -17.156 10.764 -37.894 1.00 53.25 H +ATOM 3961 N PRO A1137 -13.090 10.072 -34.466 1.00 34.19 N +ATOM 3962 CA PRO A1137 -12.755 8.775 -35.097 1.00 34.79 C +ATOM 3963 C PRO A1137 -13.489 8.552 -36.430 1.00 39.69 C +ATOM 3964 O PRO A1137 -14.627 9.001 -36.574 1.00 37.63 O +ATOM 3965 CB PRO A1137 -13.184 7.726 -34.056 1.00 35.61 C +ATOM 3966 CG PRO A1137 -13.216 8.472 -32.737 1.00 38.50 C +ATOM 3967 CD PRO A1137 -13.669 9.865 -33.137 1.00 34.62 C +ATOM 3968 HA PRO A1137 -11.673 8.740 -35.241 1.00 34.79 H +ATOM 3969 HB3 PRO A1137 -12.515 6.866 -34.029 1.00 35.61 H +ATOM 3970 HB2 PRO A1137 -14.179 7.341 -34.276 1.00 35.61 H +ATOM 3971 HG3 PRO A1137 -12.203 8.527 -32.343 1.00 38.50 H +ATOM 3972 HG2 PRO A1137 -13.845 8.010 -31.977 1.00 38.50 H +ATOM 3973 HD2 PRO A1137 -14.756 9.915 -33.210 1.00 34.62 H +ATOM 3974 HD3 PRO A1137 -13.341 10.587 -32.392 1.00 34.62 H +ATOM 3975 N ASP A1138 -12.831 7.871 -37.382 1.00 39.28 N +ATOM 3976 CA ASP A1138 -13.412 7.551 -38.689 1.00 41.69 C +ATOM 3977 C ASP A1138 -14.671 6.672 -38.524 1.00 47.14 C +ATOM 3978 O ASP A1138 -14.596 5.641 -37.857 1.00 46.83 O +ATOM 3979 CB ASP A1138 -12.379 6.878 -39.627 1.00 45.59 C +ATOM 3980 CG ASP A1138 -12.841 6.659 -41.081 1.00 68.02 C +ATOM 3981 OD1 ASP A1138 -13.561 7.534 -41.617 1.00 70.17 O +ATOM 3982 OD2 ASP A1138 -12.370 5.669 -41.680 1.00 78.75 O1- +ATOM 3983 H ASP A1138 -11.901 7.518 -37.202 1.00 39.28 H +ATOM 3984 HA ASP A1138 -13.707 8.507 -39.129 1.00 41.69 H +ATOM 3985 HB3 ASP A1138 -12.061 5.928 -39.191 1.00 45.59 H +ATOM 3986 HB2 ASP A1138 -11.474 7.487 -39.657 1.00 45.59 H +ATOM 3987 N LYS A1139 -15.787 7.121 -39.122 1.00 45.46 N +ATOM 3988 CA LYS A1139 -17.125 6.513 -39.096 1.00 46.10 C +ATOM 3989 C LYS A1139 -17.896 6.707 -37.769 1.00 48.03 C +ATOM 3990 O LYS A1139 -18.998 6.171 -37.652 1.00 49.27 O +ATOM 3991 CB LYS A1139 -17.111 5.032 -39.572 1.00 50.14 C +ATOM 3992 CG LYS A1139 -16.473 4.800 -40.960 1.00 69.71 C +ATOM 3993 CD LYS A1139 -17.327 5.276 -42.154 1.00 83.93 C +ATOM 3994 CE LYS A1139 -18.387 4.261 -42.620 1.00 98.25 C +ATOM 3995 NZ LYS A1139 -17.787 3.120 -43.339 1.00107.70 N1+ +ATOM 3996 H LYS A1139 -15.721 7.971 -39.667 1.00 45.46 H +ATOM 3997 HA LYS A1139 -17.700 7.085 -39.823 1.00 46.10 H +ATOM 3998 HB3 LYS A1139 -18.125 4.631 -39.581 1.00 50.14 H +ATOM 3999 HB2 LYS A1139 -16.577 4.421 -38.844 1.00 50.14 H +ATOM 4000 HG3 LYS A1139 -16.242 3.740 -41.065 1.00 69.71 H +ATOM 4001 HG2 LYS A1139 -15.504 5.294 -41.008 1.00 69.71 H +ATOM 4002 HD3 LYS A1139 -16.668 5.542 -42.983 1.00 83.93 H +ATOM 4003 HD2 LYS A1139 -17.835 6.204 -41.894 1.00 83.93 H +ATOM 4004 HE3 LYS A1139 -19.086 4.750 -43.300 1.00 98.25 H +ATOM 4005 HE2 LYS A1139 -18.972 3.894 -41.776 1.00 98.25 H +ATOM 4006 HZ1 LYS A1139 -17.150 2.633 -42.725 1.00107.70 H +ATOM 4007 HZ2 LYS A1139 -18.514 2.488 -43.641 1.00107.70 H +ATOM 4008 HZ3 LYS A1139 -17.280 3.459 -44.144 1.00107.70 H +ATOM 4009 N CYS A1140 -17.360 7.506 -36.824 1.00 40.64 N +ATOM 4010 CA CYS A1140 -18.073 7.971 -35.628 1.00 37.44 C +ATOM 4011 C CYS A1140 -19.107 9.036 -36.059 1.00 40.28 C +ATOM 4012 O CYS A1140 -18.681 10.031 -36.649 1.00 40.75 O +ATOM 4013 CB CYS A1140 -17.092 8.570 -34.594 1.00 35.57 C +ATOM 4014 SG CYS A1140 -17.925 9.228 -33.115 1.00 37.88 S +ATOM 4015 H CYS A1140 -16.443 7.905 -36.975 1.00 40.64 H +ATOM 4016 HA CYS A1140 -18.529 7.103 -35.156 1.00 37.44 H +ATOM 4017 HB3 CYS A1140 -16.523 9.390 -35.028 1.00 35.57 H +ATOM 4018 HB2 CYS A1140 -16.379 7.811 -34.276 1.00 35.57 H +ATOM 4019 HG CYS A1140 -18.566 10.224 -33.737 1.00 37.88 H +ATOM 4020 N PRO A1141 -20.417 8.841 -35.769 1.00 34.69 N +ATOM 4021 CA PRO A1141 -21.453 9.864 -36.018 1.00 34.83 C +ATOM 4022 C PRO A1141 -21.139 11.231 -35.386 1.00 36.98 C +ATOM 4023 O PRO A1141 -20.591 11.277 -34.284 1.00 34.16 O +ATOM 4024 CB PRO A1141 -22.730 9.258 -35.415 1.00 36.57 C +ATOM 4025 CG PRO A1141 -22.492 7.760 -35.407 1.00 40.74 C +ATOM 4026 CD PRO A1141 -20.997 7.650 -35.152 1.00 36.09 C +ATOM 4027 HA PRO A1141 -21.564 9.961 -37.100 1.00 34.83 H +ATOM 4028 HB3 PRO A1141 -23.617 9.531 -35.987 1.00 36.57 H +ATOM 4029 HB2 PRO A1141 -22.882 9.605 -34.393 1.00 36.57 H +ATOM 4030 HG3 PRO A1141 -22.723 7.355 -36.393 1.00 40.74 H +ATOM 4031 HG2 PRO A1141 -23.096 7.225 -34.674 1.00 40.74 H +ATOM 4032 HD2 PRO A1141 -20.781 7.660 -34.082 1.00 36.09 H +ATOM 4033 HD3 PRO A1141 -20.615 6.725 -35.579 1.00 36.09 H +ATOM 4034 N ALA A1142 -21.474 12.311 -36.111 1.00 34.46 N +ATOM 4035 CA ALA A1142 -21.226 13.695 -35.699 1.00 34.01 C +ATOM 4036 C ALA A1142 -21.857 14.069 -34.348 1.00 35.94 C +ATOM 4037 O ALA A1142 -21.196 14.734 -33.555 1.00 33.77 O +ATOM 4038 CB ALA A1142 -21.703 14.649 -36.804 1.00 35.94 C +ATOM 4039 H ALA A1142 -21.912 12.188 -37.012 1.00 34.46 H +ATOM 4040 HA ALA A1142 -20.145 13.811 -35.599 1.00 34.01 H +ATOM 4041 HB1 ALA A1142 -21.520 15.689 -36.532 1.00 35.94 H +ATOM 4042 HB2 ALA A1142 -21.176 14.459 -37.740 1.00 35.94 H +ATOM 4043 HB3 ALA A1142 -22.771 14.539 -36.995 1.00 35.94 H +ATOM 4044 N GLU A1143 -23.088 13.595 -34.093 1.00 34.04 N +ATOM 4045 CA GLU A1143 -23.826 13.837 -32.852 1.00 34.34 C +ATOM 4046 C GLU A1143 -23.310 13.001 -31.661 1.00 35.13 C +ATOM 4047 O GLU A1143 -23.388 13.473 -30.527 1.00 31.94 O +ATOM 4048 CB GLU A1143 -25.328 13.641 -33.137 1.00 37.10 C +ATOM 4049 CG GLU A1143 -26.262 14.065 -31.981 1.00 51.53 C +ATOM 4050 CD GLU A1143 -27.757 14.104 -32.344 1.00 70.35 C +ATOM 4051 OE1 GLU A1143 -28.164 13.416 -33.308 1.00 77.38 O +ATOM 4052 OE2 GLU A1143 -28.485 14.832 -31.633 1.00 51.45 O1- +ATOM 4053 H GLU A1143 -23.565 13.046 -34.794 1.00 34.04 H +ATOM 4054 HA GLU A1143 -23.684 14.887 -32.589 1.00 34.34 H +ATOM 4055 HB3 GLU A1143 -25.512 12.595 -33.389 1.00 37.10 H +ATOM 4056 HB2 GLU A1143 -25.589 14.215 -34.028 1.00 37.10 H +ATOM 4057 HG3 GLU A1143 -25.961 15.052 -31.624 1.00 51.53 H +ATOM 4058 HG2 GLU A1143 -26.144 13.384 -31.137 1.00 51.53 H +ATOM 4059 N VAL A1144 -22.737 11.812 -31.934 1.00 32.23 N +ATOM 4060 CA VAL A1144 -22.015 10.995 -30.949 1.00 30.46 C +ATOM 4061 C VAL A1144 -20.657 11.629 -30.571 1.00 31.37 C +ATOM 4062 O VAL A1144 -20.254 11.523 -29.412 1.00 28.93 O +ATOM 4063 CB VAL A1144 -21.803 9.533 -31.453 1.00 34.90 C +ATOM 4064 CG1 VAL A1144 -20.854 8.663 -30.597 1.00 34.06 C +ATOM 4065 CG2 VAL A1144 -23.153 8.806 -31.595 1.00 35.48 C +ATOM 4066 H VAL A1144 -22.694 11.492 -32.890 1.00 32.23 H +ATOM 4067 HA VAL A1144 -22.619 10.953 -30.041 1.00 30.46 H +ATOM 4068 HB VAL A1144 -21.363 9.579 -32.449 1.00 34.90 H +ATOM 4069 HG11 VAL A1144 -20.832 7.635 -30.960 1.00 34.06 H +ATOM 4070 HG12 VAL A1144 -19.825 9.021 -30.626 1.00 34.06 H +ATOM 4071 HG13 VAL A1144 -21.172 8.637 -29.555 1.00 34.06 H +ATOM 4072 HG21 VAL A1144 -23.024 7.801 -31.997 1.00 35.48 H +ATOM 4073 HG22 VAL A1144 -23.651 8.715 -30.630 1.00 35.48 H +ATOM 4074 HG23 VAL A1144 -23.833 9.335 -32.263 1.00 35.48 H +ATOM 4075 N TYR A1145 -20.011 12.324 -31.527 1.00 28.72 N +ATOM 4076 CA TYR A1145 -18.811 13.128 -31.294 1.00 28.17 C +ATOM 4077 C TYR A1145 -19.098 14.406 -30.480 1.00 32.85 C +ATOM 4078 O TYR A1145 -18.252 14.792 -29.676 1.00 32.29 O +ATOM 4079 CB TYR A1145 -18.105 13.433 -32.635 1.00 29.44 C +ATOM 4080 CG TYR A1145 -16.803 14.203 -32.490 1.00 31.74 C +ATOM 4081 CD1 TYR A1145 -15.715 13.593 -31.838 1.00 33.16 C +ATOM 4082 CD2 TYR A1145 -16.678 15.527 -32.960 1.00 33.69 C +ATOM 4083 CE1 TYR A1145 -14.525 14.307 -31.605 1.00 33.08 C +ATOM 4084 CE2 TYR A1145 -15.473 16.232 -32.762 1.00 34.55 C +ATOM 4085 CZ TYR A1145 -14.402 15.629 -32.072 1.00 36.66 C +ATOM 4086 OH TYR A1145 -13.246 16.322 -31.859 1.00 35.20 O +ATOM 4087 H TYR A1145 -20.395 12.351 -32.462 1.00 28.72 H +ATOM 4088 HA TYR A1145 -18.130 12.515 -30.701 1.00 28.17 H +ATOM 4089 HB3 TYR A1145 -18.769 13.983 -33.300 1.00 29.44 H +ATOM 4090 HB2 TYR A1145 -17.886 12.495 -33.145 1.00 29.44 H +ATOM 4091 HD1 TYR A1145 -15.805 12.568 -31.518 1.00 33.16 H +ATOM 4092 HD2 TYR A1145 -17.504 16.007 -33.463 1.00 33.69 H +ATOM 4093 HE1 TYR A1145 -13.705 13.829 -31.089 1.00 33.08 H +ATOM 4094 HE2 TYR A1145 -15.379 17.245 -33.125 1.00 34.55 H +ATOM 4095 HH TYR A1145 -12.579 15.810 -31.389 1.00 35.20 H +ATOM 4096 N HIS A1146 -20.285 15.014 -30.664 1.00 31.34 N +ATOM 4097 CA HIS A1146 -20.745 16.171 -29.888 1.00 31.80 C +ATOM 4098 C HIS A1146 -21.118 15.816 -28.439 1.00 32.90 C +ATOM 4099 O HIS A1146 -20.906 16.649 -27.560 1.00 31.97 O +ATOM 4100 CB HIS A1146 -21.912 16.882 -30.602 1.00 33.81 C +ATOM 4101 CG HIS A1146 -21.607 17.404 -31.987 1.00 37.86 C +ATOM 4102 ND1 HIS A1146 -22.587 17.500 -32.980 1.00 40.76 N +ATOM 4103 CD2 HIS A1146 -20.407 17.852 -32.505 1.00 39.65 C +ATOM 4104 CE1 HIS A1146 -21.953 17.977 -34.043 1.00 40.91 C +ATOM 4105 NE2 HIS A1146 -20.658 18.204 -33.819 1.00 40.63 N +ATOM 4106 H HIS A1146 -20.926 14.656 -31.360 1.00 31.34 H +ATOM 4107 HA HIS A1146 -19.916 16.879 -29.830 1.00 31.80 H +ATOM 4108 HB3 HIS A1146 -22.249 17.730 -30.004 1.00 33.81 H +ATOM 4109 HB2 HIS A1146 -22.764 16.206 -30.675 1.00 33.81 H +ATOM 4110 HD2 HIS A1146 -19.426 17.934 -32.062 1.00 39.65 H +ATOM 4111 HE1 HIS A1146 -22.437 18.162 -34.990 1.00 40.91 H +ATOM 4112 HE2 HIS A1146 -19.991 18.567 -34.485 1.00 40.63 H +ATOM 4113 N LEU A1147 -21.600 14.581 -28.204 1.00 29.07 N +ATOM 4114 CA LEU A1147 -21.774 13.987 -26.874 1.00 28.56 C +ATOM 4115 C LEU A1147 -20.424 13.781 -26.162 1.00 31.25 C +ATOM 4116 O LEU A1147 -20.339 14.007 -24.956 1.00 29.28 O +ATOM 4117 CB LEU A1147 -22.608 12.686 -27.012 1.00 29.23 C +ATOM 4118 CG LEU A1147 -22.821 11.839 -25.727 1.00 34.50 C +ATOM 4119 CD1 LEU A1147 -24.102 10.991 -25.829 1.00 34.68 C +ATOM 4120 CD2 LEU A1147 -21.617 10.939 -25.363 1.00 36.84 C +ATOM 4121 H LEU A1147 -21.785 13.969 -28.987 1.00 29.07 H +ATOM 4122 HA LEU A1147 -22.354 14.689 -26.271 1.00 28.56 H +ATOM 4123 HB3 LEU A1147 -22.193 12.047 -27.789 1.00 29.23 H +ATOM 4124 HB2 LEU A1147 -23.580 12.997 -27.397 1.00 29.23 H +ATOM 4125 HG LEU A1147 -22.982 12.537 -24.905 1.00 34.50 H +ATOM 4126 HD11 LEU A1147 -24.535 10.835 -24.840 1.00 34.68 H +ATOM 4127 HD12 LEU A1147 -24.865 11.464 -26.446 1.00 34.68 H +ATOM 4128 HD13 LEU A1147 -23.907 10.011 -26.263 1.00 34.68 H +ATOM 4129 HD21 LEU A1147 -21.910 9.906 -25.171 1.00 36.84 H +ATOM 4130 HD22 LEU A1147 -20.869 10.914 -26.155 1.00 36.84 H +ATOM 4131 HD23 LEU A1147 -21.126 11.296 -24.458 1.00 36.84 H +ATOM 4132 N MET A1148 -19.398 13.382 -26.931 1.00 29.35 N +ATOM 4133 CA MET A1148 -18.023 13.178 -26.481 1.00 30.67 C +ATOM 4134 C MET A1148 -17.324 14.499 -26.106 1.00 31.09 C +ATOM 4135 O MET A1148 -16.609 14.527 -25.108 1.00 28.70 O +ATOM 4136 CB MET A1148 -17.263 12.408 -27.584 1.00 34.60 C +ATOM 4137 CG MET A1148 -16.422 11.229 -27.075 1.00 40.60 C +ATOM 4138 SD MET A1148 -16.088 9.986 -28.353 1.00 46.94 S +ATOM 4139 CE MET A1148 -14.956 10.907 -29.417 1.00 42.17 C +ATOM 4140 H MET A1148 -19.568 13.205 -27.912 1.00 29.35 H +ATOM 4141 HA MET A1148 -18.079 12.561 -25.582 1.00 30.67 H +ATOM 4142 HB3 MET A1148 -16.621 13.093 -28.141 1.00 34.60 H +ATOM 4143 HB2 MET A1148 -17.962 12.020 -28.323 1.00 34.60 H +ATOM 4144 HG3 MET A1148 -16.944 10.714 -26.269 1.00 40.60 H +ATOM 4145 HG2 MET A1148 -15.481 11.587 -26.658 1.00 40.60 H +ATOM 4146 HE1 MET A1148 -14.845 10.406 -30.378 1.00 42.17 H +ATOM 4147 HE2 MET A1148 -15.325 11.915 -29.578 1.00 42.17 H +ATOM 4148 HE3 MET A1148 -13.979 10.989 -28.953 1.00 42.17 H +ATOM 4149 N LYS A1149 -17.582 15.573 -26.876 1.00 27.88 N +ATOM 4150 CA LYS A1149 -17.130 16.935 -26.580 1.00 27.39 C +ATOM 4151 C LYS A1149 -17.905 17.607 -25.433 1.00 30.73 C +ATOM 4152 O LYS A1149 -17.326 18.465 -24.768 1.00 30.19 O +ATOM 4153 CB LYS A1149 -17.162 17.805 -27.853 1.00 30.13 C +ATOM 4154 CG LYS A1149 -16.053 17.452 -28.862 1.00 40.57 C +ATOM 4155 CD LYS A1149 -15.841 18.515 -29.953 1.00 49.92 C +ATOM 4156 CE LYS A1149 -15.134 19.786 -29.445 1.00 55.31 C +ATOM 4157 NZ LYS A1149 -14.832 20.722 -30.541 1.00 61.18 N1+ +ATOM 4158 H LYS A1149 -18.155 15.461 -27.702 1.00 27.88 H +ATOM 4159 HA LYS A1149 -16.093 16.870 -26.251 1.00 27.39 H +ATOM 4160 HB3 LYS A1149 -17.030 18.845 -27.556 1.00 30.13 H +ATOM 4161 HB2 LYS A1149 -18.142 17.757 -28.328 1.00 30.13 H +ATOM 4162 HG3 LYS A1149 -16.291 16.501 -29.338 1.00 40.57 H +ATOM 4163 HG2 LYS A1149 -15.109 17.292 -28.343 1.00 40.57 H +ATOM 4164 HD3 LYS A1149 -16.806 18.775 -30.392 1.00 49.92 H +ATOM 4165 HD2 LYS A1149 -15.252 18.074 -30.755 1.00 49.92 H +ATOM 4166 HE3 LYS A1149 -14.195 19.523 -28.961 1.00 55.31 H +ATOM 4167 HE2 LYS A1149 -15.743 20.306 -28.706 1.00 55.31 H +ATOM 4168 HZ1 LYS A1149 -14.350 21.529 -30.170 1.00 61.18 H +ATOM 4169 HZ2 LYS A1149 -14.244 20.266 -31.224 1.00 61.18 H +ATOM 4170 HZ3 LYS A1149 -15.692 21.018 -30.980 1.00 61.18 H +ATOM 4171 N ASN A1150 -19.163 17.196 -25.190 1.00 27.52 N +ATOM 4172 CA ASN A1150 -19.949 17.609 -24.024 1.00 27.53 C +ATOM 4173 C ASN A1150 -19.480 16.886 -22.743 1.00 29.61 C +ATOM 4174 O ASN A1150 -19.524 17.482 -21.669 1.00 29.79 O +ATOM 4175 CB ASN A1150 -21.455 17.407 -24.311 1.00 28.97 C +ATOM 4176 CG ASN A1150 -22.392 17.990 -23.243 1.00 41.34 C +ATOM 4177 OD1 ASN A1150 -23.281 17.293 -22.759 1.00 34.75 O +ATOM 4178 ND2 ASN A1150 -22.208 19.260 -22.873 1.00 35.14 N +ATOM 4179 H ASN A1150 -19.595 16.518 -25.803 1.00 27.52 H +ATOM 4180 HA ASN A1150 -19.776 18.674 -23.872 1.00 27.53 H +ATOM 4181 HB3 ASN A1150 -21.676 16.347 -24.441 1.00 28.97 H +ATOM 4182 HB2 ASN A1150 -21.712 17.892 -25.254 1.00 28.97 H +ATOM 4183 HD22 ASN A1150 -22.797 19.667 -22.161 1.00 35.14 H +ATOM 4184 HD21 ASN A1150 -21.474 19.824 -23.284 1.00 35.14 H +ATOM 4185 N CYS A1151 -18.962 15.654 -22.885 1.00 24.02 N +ATOM 4186 CA CYS A1151 -18.211 14.952 -21.843 1.00 24.87 C +ATOM 4187 C CYS A1151 -16.829 15.586 -21.591 1.00 28.35 C +ATOM 4188 O CYS A1151 -16.266 15.336 -20.531 1.00 26.56 O +ATOM 4189 CB CYS A1151 -18.053 13.451 -22.154 1.00 25.12 C +ATOM 4190 SG CYS A1151 -19.653 12.615 -22.009 1.00 29.56 S +ATOM 4191 H CYS A1151 -18.988 15.208 -23.792 1.00 24.02 H +ATOM 4192 HA CYS A1151 -18.766 15.045 -20.909 1.00 24.87 H +ATOM 4193 HB3 CYS A1151 -17.363 12.975 -21.458 1.00 25.12 H +ATOM 4194 HB2 CYS A1151 -17.655 13.284 -23.153 1.00 25.12 H +ATOM 4195 HG CYS A1151 -20.206 13.197 -23.079 1.00 29.56 H +ATOM 4196 N TRP A1152 -16.324 16.405 -22.531 1.00 24.56 N +ATOM 4197 CA TRP A1152 -15.055 17.120 -22.426 1.00 24.31 C +ATOM 4198 C TRP A1152 -15.242 18.648 -22.343 1.00 28.86 C +ATOM 4199 O TRP A1152 -14.438 19.367 -22.931 1.00 29.11 O +ATOM 4200 CB TRP A1152 -14.133 16.771 -23.615 1.00 23.52 C +ATOM 4201 CG TRP A1152 -13.751 15.354 -23.892 1.00 23.91 C +ATOM 4202 CD1 TRP A1152 -13.461 14.406 -22.974 1.00 26.64 C +ATOM 4203 CD2 TRP A1152 -13.455 14.762 -25.193 1.00 24.07 C +ATOM 4204 NE1 TRP A1152 -13.022 13.270 -23.619 1.00 25.72 N +ATOM 4205 CE2 TRP A1152 -12.998 13.427 -24.990 1.00 26.84 C +ATOM 4206 CE3 TRP A1152 -13.518 15.223 -26.530 1.00 25.78 C +ATOM 4207 CZ2 TRP A1152 -12.627 12.593 -26.059 1.00 25.92 C +ATOM 4208 CZ3 TRP A1152 -13.164 14.392 -27.611 1.00 27.26 C +ATOM 4209 CH2 TRP A1152 -12.719 13.078 -27.375 1.00 27.17 C +ATOM 4210 H TRP A1152 -16.854 16.570 -23.375 1.00 24.56 H +ATOM 4211 HA TRP A1152 -14.544 16.820 -21.513 1.00 24.31 H +ATOM 4212 HB3 TRP A1152 -13.179 17.274 -23.470 1.00 23.52 H +ATOM 4213 HB2 TRP A1152 -14.561 17.173 -24.533 1.00 23.52 H +ATOM 4214 HD1 TRP A1152 -13.541 14.539 -21.905 1.00 26.64 H +ATOM 4215 HE1 TRP A1152 -12.742 12.439 -23.115 1.00 25.72 H +ATOM 4216 HE3 TRP A1152 -13.847 16.232 -26.724 1.00 25.78 H +ATOM 4217 HZ2 TRP A1152 -12.271 11.592 -25.875 1.00 25.92 H +ATOM 4218 HZ3 TRP A1152 -13.224 14.768 -28.622 1.00 27.26 H +ATOM 4219 HH2 TRP A1152 -12.429 12.450 -28.204 1.00 27.17 H +ATOM 4220 N GLU A1153 -16.246 19.168 -21.617 1.00 25.75 N +ATOM 4221 CA GLU A1153 -16.296 20.609 -21.312 1.00 26.82 C +ATOM 4222 C GLU A1153 -15.182 20.967 -20.316 1.00 30.62 C +ATOM 4223 O GLU A1153 -14.998 20.223 -19.354 1.00 26.79 O +ATOM 4224 CB GLU A1153 -17.677 21.013 -20.754 1.00 28.38 C +ATOM 4225 CG GLU A1153 -18.851 20.778 -21.729 1.00 35.13 C +ATOM 4226 CD GLU A1153 -19.019 21.791 -22.872 1.00 54.88 C +ATOM 4227 OE1 GLU A1153 -18.289 22.809 -22.904 1.00 51.30 O +ATOM 4228 OE2 GLU A1153 -19.904 21.522 -23.714 1.00 50.04 O1- +ATOM 4229 H GLU A1153 -16.923 18.572 -21.163 1.00 25.75 H +ATOM 4230 HA GLU A1153 -16.127 21.169 -22.234 1.00 26.82 H +ATOM 4231 HB3 GLU A1153 -17.654 22.057 -20.439 1.00 28.38 H +ATOM 4232 HB2 GLU A1153 -17.877 20.469 -19.835 1.00 28.38 H +ATOM 4233 HG3 GLU A1153 -19.783 20.752 -21.166 1.00 35.13 H +ATOM 4234 HG2 GLU A1153 -18.747 19.794 -22.176 1.00 35.13 H +ATOM 4235 N THR A1154 -14.461 22.078 -20.558 1.00 30.88 N +ATOM 4236 CA THR A1154 -13.407 22.588 -19.666 1.00 31.88 C +ATOM 4237 C THR A1154 -13.958 22.921 -18.266 1.00 35.93 C +ATOM 4238 O THR A1154 -13.336 22.557 -17.269 1.00 35.75 O +ATOM 4239 CB THR A1154 -12.729 23.871 -20.227 1.00 43.66 C +ATOM 4240 OG1 THR A1154 -12.128 23.591 -21.474 1.00 44.97 O +ATOM 4241 CG2 THR A1154 -11.644 24.510 -19.337 1.00 43.44 C +ATOM 4242 H THR A1154 -14.677 22.654 -21.360 1.00 30.88 H +ATOM 4243 HA THR A1154 -12.650 21.808 -19.559 1.00 31.88 H +ATOM 4244 HB THR A1154 -13.497 24.624 -20.416 1.00 43.66 H +ATOM 4245 HG1 THR A1154 -11.564 24.333 -21.708 1.00 44.97 H +ATOM 4246 HG21 THR A1154 -11.164 25.344 -19.848 1.00 43.44 H +ATOM 4247 HG22 THR A1154 -12.053 24.908 -18.408 1.00 43.44 H +ATOM 4248 HG23 THR A1154 -10.866 23.792 -19.078 1.00 43.44 H +ATOM 4249 N GLU A1155 -15.151 23.538 -18.239 1.00 34.13 N +ATOM 4250 CA GLU A1155 -15.947 23.780 -17.043 1.00 35.75 C +ATOM 4251 C GLU A1155 -16.609 22.461 -16.603 1.00 37.89 C +ATOM 4252 O GLU A1155 -17.338 21.854 -17.390 1.00 35.58 O +ATOM 4253 CB GLU A1155 -16.986 24.869 -17.390 1.00 38.82 C +ATOM 4254 CG GLU A1155 -17.759 25.463 -16.192 1.00 56.26 C +ATOM 4255 CD GLU A1155 -17.027 26.559 -15.396 1.00 89.36 C +ATOM 4256 OE1 GLU A1155 -15.794 26.714 -15.553 1.00 94.02 O +ATOM 4257 OE2 GLU A1155 -17.732 27.243 -14.623 1.00 89.74 O1- +ATOM 4258 H GLU A1155 -15.595 23.783 -19.114 1.00 34.13 H +ATOM 4259 HA GLU A1155 -15.285 24.141 -16.255 1.00 35.75 H +ATOM 4260 HB3 GLU A1155 -17.714 24.442 -18.079 1.00 38.82 H +ATOM 4261 HB2 GLU A1155 -16.513 25.671 -17.959 1.00 38.82 H +ATOM 4262 HG3 GLU A1155 -18.060 24.672 -15.505 1.00 56.26 H +ATOM 4263 HG2 GLU A1155 -18.686 25.895 -16.569 1.00 56.26 H +ATOM 4264 N ALA A1156 -16.323 22.039 -15.361 1.00 35.19 N +ATOM 4265 CA ALA A1156 -16.768 20.764 -14.791 1.00 35.22 C +ATOM 4266 C ALA A1156 -18.290 20.628 -14.624 1.00 38.77 C +ATOM 4267 O ALA A1156 -18.808 19.521 -14.768 1.00 37.90 O +ATOM 4268 CB ALA A1156 -16.050 20.537 -13.452 1.00 36.33 C +ATOM 4269 H ALA A1156 -15.714 22.596 -14.779 1.00 35.19 H +ATOM 4270 HA ALA A1156 -16.460 19.979 -15.480 1.00 35.22 H +ATOM 4271 HB1 ALA A1156 -16.336 19.585 -13.003 1.00 36.33 H +ATOM 4272 HB2 ALA A1156 -14.968 20.521 -13.586 1.00 36.33 H +ATOM 4273 HB3 ALA A1156 -16.283 21.324 -12.734 1.00 36.33 H +ATOM 4274 N SER A1157 -18.973 21.752 -14.350 1.00 35.61 N +ATOM 4275 CA SER A1157 -20.425 21.838 -14.187 1.00 35.08 C +ATOM 4276 C SER A1157 -21.220 21.658 -15.496 1.00 37.46 C +ATOM 4277 O SER A1157 -22.380 21.252 -15.426 1.00 37.36 O +ATOM 4278 CB SER A1157 -20.758 23.166 -13.474 1.00 40.33 C +ATOM 4279 OG SER A1157 -20.526 24.290 -14.302 1.00 48.92 O +ATOM 4280 H SER A1157 -18.473 22.627 -14.268 1.00 35.61 H +ATOM 4281 HA SER A1157 -20.722 21.028 -13.518 1.00 35.08 H +ATOM 4282 HB3 SER A1157 -20.175 23.270 -12.559 1.00 40.33 H +ATOM 4283 HB2 SER A1157 -21.808 23.175 -13.177 1.00 40.33 H +ATOM 4284 HG SER A1157 -20.663 25.089 -13.787 1.00 48.92 H +ATOM 4285 N PHE A1158 -20.594 21.943 -16.652 1.00 32.83 N +ATOM 4286 CA PHE A1158 -21.211 21.817 -17.977 1.00 32.10 C +ATOM 4287 C PHE A1158 -21.235 20.368 -18.506 1.00 33.92 C +ATOM 4288 O PHE A1158 -21.989 20.095 -19.440 1.00 31.85 O +ATOM 4289 CB PHE A1158 -20.492 22.746 -18.982 1.00 33.90 C +ATOM 4290 CG PHE A1158 -20.572 24.255 -18.779 1.00 37.34 C +ATOM 4291 CD1 PHE A1158 -21.350 24.854 -17.761 1.00 41.32 C +ATOM 4292 CD2 PHE A1158 -19.860 25.088 -19.667 1.00 39.43 C +ATOM 4293 CE1 PHE A1158 -21.376 26.237 -17.629 1.00 43.51 C +ATOM 4294 CE2 PHE A1158 -19.899 26.468 -19.518 1.00 43.26 C +ATOM 4295 CZ PHE A1158 -20.651 27.039 -18.500 1.00 42.52 C +ATOM 4296 H PHE A1158 -19.640 22.276 -16.633 1.00 32.83 H +ATOM 4297 HA PHE A1158 -22.254 22.132 -17.914 1.00 32.10 H +ATOM 4298 HB3 PHE A1158 -20.865 22.551 -19.989 1.00 33.90 H +ATOM 4299 HB2 PHE A1158 -19.434 22.486 -19.005 1.00 33.90 H +ATOM 4300 HD1 PHE A1158 -21.924 24.259 -17.068 1.00 41.32 H +ATOM 4301 HD2 PHE A1158 -19.272 24.652 -20.462 1.00 39.43 H +ATOM 4302 HE1 PHE A1158 -21.961 26.689 -16.842 1.00 43.51 H +ATOM 4303 HE2 PHE A1158 -19.341 27.098 -20.195 1.00 43.26 H +ATOM 4304 HZ PHE A1158 -20.675 28.113 -18.387 1.00 42.52 H +ATOM 4305 N ARG A1159 -20.427 19.471 -17.910 1.00 27.94 N +ATOM 4306 CA ARG A1159 -20.374 18.048 -18.252 1.00 27.11 C +ATOM 4307 C ARG A1159 -21.594 17.292 -17.675 1.00 29.97 C +ATOM 4308 O ARG A1159 -21.952 17.544 -16.523 1.00 28.45 O +ATOM 4309 CB ARG A1159 -19.051 17.442 -17.730 1.00 27.28 C +ATOM 4310 CG ARG A1159 -17.798 18.119 -18.323 1.00 37.58 C +ATOM 4311 CD ARG A1159 -16.482 17.351 -18.117 1.00 43.51 C +ATOM 4312 NE ARG A1159 -16.002 17.327 -16.729 1.00 43.50 N +ATOM 4313 CZ ARG A1159 -14.958 17.974 -16.179 1.00 45.54 C +ATOM 4314 NH1 ARG A1159 -14.215 18.876 -16.833 1.00 36.88 N +ATOM 4315 NH2 ARG A1159 -14.641 17.690 -14.916 1.00 30.01 N1+ +ATOM 4316 H ARG A1159 -19.846 19.768 -17.138 1.00 27.94 H +ATOM 4317 HA ARG A1159 -20.362 18.001 -19.337 1.00 27.11 H +ATOM 4318 HB3 ARG A1159 -19.028 16.386 -17.997 1.00 27.28 H +ATOM 4319 HB2 ARG A1159 -19.015 17.480 -16.640 1.00 27.28 H +ATOM 4320 HG3 ARG A1159 -17.708 19.088 -17.830 1.00 37.58 H +ATOM 4321 HG2 ARG A1159 -17.924 18.323 -19.385 1.00 37.58 H +ATOM 4322 HD3 ARG A1159 -15.725 17.616 -18.853 1.00 43.51 H +ATOM 4323 HD2 ARG A1159 -16.695 16.297 -18.284 1.00 43.51 H +ATOM 4324 HE ARG A1159 -16.486 16.664 -16.140 1.00 43.50 H +ATOM 4325 HH12 ARG A1159 -13.441 19.331 -16.367 1.00 36.88 H +ATOM 4326 HH11 ARG A1159 -14.469 19.165 -17.771 1.00 36.88 H +ATOM 4327 HH22 ARG A1159 -13.824 18.111 -14.482 1.00 30.01 H +ATOM 4328 HH21 ARG A1159 -15.165 17.001 -14.399 1.00 30.01 H +ATOM 4329 N PRO A1160 -22.221 16.392 -18.470 1.00 26.80 N +ATOM 4330 CA PRO A1160 -23.397 15.617 -18.029 1.00 26.98 C +ATOM 4331 C PRO A1160 -23.014 14.521 -17.020 1.00 32.02 C +ATOM 4332 O PRO A1160 -22.022 13.831 -17.238 1.00 31.35 O +ATOM 4333 CB PRO A1160 -23.923 15.012 -19.343 1.00 28.34 C +ATOM 4334 CG PRO A1160 -22.686 14.822 -20.207 1.00 31.76 C +ATOM 4335 CD PRO A1160 -21.819 16.017 -19.828 1.00 27.47 C +ATOM 4336 HA PRO A1160 -24.153 16.271 -17.589 1.00 26.98 H +ATOM 4337 HB3 PRO A1160 -24.596 15.724 -19.822 1.00 28.34 H +ATOM 4338 HB2 PRO A1160 -24.478 14.083 -19.208 1.00 28.34 H +ATOM 4339 HG3 PRO A1160 -22.903 14.769 -21.274 1.00 31.76 H +ATOM 4340 HG2 PRO A1160 -22.180 13.897 -19.926 1.00 31.76 H +ATOM 4341 HD2 PRO A1160 -20.761 15.764 -19.895 1.00 27.47 H +ATOM 4342 HD3 PRO A1160 -22.020 16.858 -20.489 1.00 27.47 H +ATOM 4343 N THR A1161 -23.814 14.345 -15.957 1.00 29.10 N +ATOM 4344 CA THR A1161 -23.652 13.240 -15.002 1.00 28.91 C +ATOM 4345 C THR A1161 -23.861 11.864 -15.675 1.00 29.63 C +ATOM 4346 O THR A1161 -24.483 11.791 -16.736 1.00 26.66 O +ATOM 4347 CB THR A1161 -24.629 13.371 -13.794 1.00 34.86 C +ATOM 4348 OG1 THR A1161 -25.931 12.861 -14.023 1.00 34.53 O +ATOM 4349 CG2 THR A1161 -24.712 14.783 -13.194 1.00 35.90 C +ATOM 4350 H THR A1161 -24.640 14.917 -15.842 1.00 29.10 H +ATOM 4351 HA THR A1161 -22.629 13.277 -14.622 1.00 28.91 H +ATOM 4352 HB THR A1161 -24.231 12.737 -13.003 1.00 34.86 H +ATOM 4353 HG1 THR A1161 -26.500 13.136 -13.300 1.00 34.53 H +ATOM 4354 HG21 THR A1161 -25.309 14.789 -12.282 1.00 35.90 H +ATOM 4355 HG22 THR A1161 -23.720 15.157 -12.941 1.00 35.90 H +ATOM 4356 HG23 THR A1161 -25.167 15.490 -13.887 1.00 35.90 H +ATOM 4357 N PHE A1162 -23.360 10.790 -15.043 1.00 26.26 N +ATOM 4358 CA PHE A1162 -23.567 9.421 -15.523 1.00 25.89 C +ATOM 4359 C PHE A1162 -25.039 8.973 -15.581 1.00 30.07 C +ATOM 4360 O PHE A1162 -25.374 8.179 -16.456 1.00 29.53 O +ATOM 4361 CB PHE A1162 -22.695 8.428 -14.737 1.00 27.11 C +ATOM 4362 CG PHE A1162 -21.246 8.403 -15.177 1.00 25.98 C +ATOM 4363 CD1 PHE A1162 -20.908 7.834 -16.419 1.00 26.41 C +ATOM 4364 CD2 PHE A1162 -20.244 9.037 -14.422 1.00 27.86 C +ATOM 4365 CE1 PHE A1162 -19.588 7.803 -16.839 1.00 26.21 C +ATOM 4366 CE2 PHE A1162 -18.927 9.006 -14.859 1.00 29.34 C +ATOM 4367 CZ PHE A1162 -18.598 8.372 -16.051 1.00 25.75 C +ATOM 4368 H PHE A1162 -22.848 10.901 -14.177 1.00 26.26 H +ATOM 4369 HA PHE A1162 -23.227 9.402 -16.560 1.00 25.89 H +ATOM 4370 HB3 PHE A1162 -23.071 7.415 -14.876 1.00 27.11 H +ATOM 4371 HB2 PHE A1162 -22.752 8.625 -13.665 1.00 27.11 H +ATOM 4372 HD1 PHE A1162 -21.686 7.418 -17.035 1.00 26.41 H +ATOM 4373 HD2 PHE A1162 -20.500 9.535 -13.501 1.00 27.86 H +ATOM 4374 HE1 PHE A1162 -19.337 7.332 -17.777 1.00 26.21 H +ATOM 4375 HE2 PHE A1162 -18.155 9.478 -14.274 1.00 29.34 H +ATOM 4376 HZ PHE A1162 -17.571 8.335 -16.375 1.00 25.75 H +ATOM 4377 N GLU A1163 -25.894 9.534 -14.707 1.00 27.87 N +ATOM 4378 CA GLU A1163 -27.346 9.350 -14.739 1.00 28.69 C +ATOM 4379 C GLU A1163 -28.038 10.077 -15.908 1.00 33.26 C +ATOM 4380 O GLU A1163 -29.085 9.602 -16.347 1.00 32.51 O +ATOM 4381 CB GLU A1163 -27.962 9.764 -13.390 1.00 31.37 C +ATOM 4382 CG GLU A1163 -27.490 8.882 -12.211 1.00 44.54 C +ATOM 4383 CD GLU A1163 -28.127 9.201 -10.847 1.00 68.84 C +ATOM 4384 OE1 GLU A1163 -28.908 10.174 -10.748 1.00 67.02 O +ATOM 4385 OE2 GLU A1163 -27.806 8.447 -9.902 1.00 62.94 O1- +ATOM 4386 H GLU A1163 -25.547 10.194 -14.026 1.00 27.87 H +ATOM 4387 HA GLU A1163 -27.542 8.285 -14.875 1.00 28.69 H +ATOM 4388 HB3 GLU A1163 -29.050 9.721 -13.462 1.00 31.37 H +ATOM 4389 HB2 GLU A1163 -27.714 10.807 -13.186 1.00 31.37 H +ATOM 4390 HG3 GLU A1163 -26.408 8.962 -12.102 1.00 44.54 H +ATOM 4391 HG2 GLU A1163 -27.698 7.837 -12.445 1.00 44.54 H +ATOM 4392 N ASN A1164 -27.449 11.179 -16.409 1.00 30.86 N +ATOM 4393 CA ASN A1164 -27.908 11.875 -17.620 1.00 30.74 C +ATOM 4394 C ASN A1164 -27.516 11.113 -18.898 1.00 32.00 C +ATOM 4395 O ASN A1164 -28.287 11.126 -19.856 1.00 31.36 O +ATOM 4396 CB ASN A1164 -27.348 13.320 -17.705 1.00 30.05 C +ATOM 4397 CG ASN A1164 -27.652 14.240 -16.517 1.00 41.44 C +ATOM 4398 OD1 ASN A1164 -26.817 15.065 -16.152 1.00 30.45 O +ATOM 4399 ND2 ASN A1164 -28.841 14.131 -15.920 1.00 30.02 N +ATOM 4400 H ASN A1164 -26.595 11.524 -15.991 1.00 30.86 H +ATOM 4401 HA ASN A1164 -28.998 11.928 -17.609 1.00 30.74 H +ATOM 4402 HB3 ASN A1164 -27.742 13.810 -18.597 1.00 30.05 H +ATOM 4403 HB2 ASN A1164 -26.267 13.293 -17.837 1.00 30.05 H +ATOM 4404 HD22 ASN A1164 -29.069 14.730 -15.140 1.00 30.02 H +ATOM 4405 HD21 ASN A1164 -29.517 13.450 -16.236 1.00 30.02 H +ATOM 4406 N LEU A1165 -26.337 10.468 -18.889 1.00 27.37 N +ATOM 4407 CA LEU A1165 -25.768 9.744 -20.027 1.00 26.17 C +ATOM 4408 C LEU A1165 -26.479 8.418 -20.351 1.00 30.32 C +ATOM 4409 O LEU A1165 -26.493 8.045 -21.521 1.00 29.57 O +ATOM 4410 CB LEU A1165 -24.263 9.504 -19.775 1.00 24.98 C +ATOM 4411 CG LEU A1165 -23.389 10.772 -19.906 1.00 27.47 C +ATOM 4412 CD1 LEU A1165 -21.997 10.566 -19.268 1.00 26.17 C +ATOM 4413 CD2 LEU A1165 -23.311 11.258 -21.373 1.00 28.90 C +ATOM 4414 H LEU A1165 -25.757 10.519 -18.062 1.00 27.37 H +ATOM 4415 HA LEU A1165 -25.881 10.377 -20.909 1.00 26.17 H +ATOM 4416 HB3 LEU A1165 -23.878 8.755 -20.467 1.00 24.98 H +ATOM 4417 HB2 LEU A1165 -24.142 9.070 -18.782 1.00 24.98 H +ATOM 4418 HG LEU A1165 -23.869 11.566 -19.334 1.00 27.47 H +ATOM 4419 HD11 LEU A1165 -21.177 10.767 -19.956 1.00 26.17 H +ATOM 4420 HD12 LEU A1165 -21.865 11.231 -18.414 1.00 26.17 H +ATOM 4421 HD13 LEU A1165 -21.858 9.548 -18.902 1.00 26.17 H +ATOM 4422 HD21 LEU A1165 -22.290 11.333 -21.743 1.00 28.90 H +ATOM 4423 HD22 LEU A1165 -23.836 10.591 -22.057 1.00 28.90 H +ATOM 4424 HD23 LEU A1165 -23.764 12.244 -21.476 1.00 28.90 H +ATOM 4425 N ILE A1166 -27.052 7.739 -19.342 1.00 27.97 N +ATOM 4426 CA ILE A1166 -27.752 6.454 -19.486 1.00 28.85 C +ATOM 4427 C ILE A1166 -28.955 6.469 -20.465 1.00 33.75 C +ATOM 4428 O ILE A1166 -28.913 5.685 -21.413 1.00 32.47 O +ATOM 4429 CB ILE A1166 -28.157 5.861 -18.100 1.00 32.86 C +ATOM 4430 CG1 ILE A1166 -26.903 5.393 -17.337 1.00 32.40 C +ATOM 4431 CG2 ILE A1166 -29.187 4.708 -18.134 1.00 34.79 C +ATOM 4432 CD1 ILE A1166 -27.110 5.273 -15.822 1.00 41.27 C +ATOM 4433 H ILE A1166 -26.987 8.106 -18.402 1.00 27.97 H +ATOM 4434 HA ILE A1166 -27.019 5.770 -19.919 1.00 28.85 H +ATOM 4435 HB ILE A1166 -28.593 6.670 -17.515 1.00 32.86 H +ATOM 4436 HG13 ILE A1166 -26.074 6.072 -17.516 1.00 32.40 H +ATOM 4437 HG12 ILE A1166 -26.563 4.442 -17.740 1.00 32.40 H +ATOM 4438 HG21 ILE A1166 -29.378 4.317 -17.135 1.00 34.79 H +ATOM 4439 HG22 ILE A1166 -30.154 5.020 -18.527 1.00 34.79 H +ATOM 4440 HG23 ILE A1166 -28.822 3.881 -18.743 1.00 34.79 H +ATOM 4441 HD11 ILE A1166 -26.159 5.378 -15.306 1.00 41.27 H +ATOM 4442 HD12 ILE A1166 -27.777 6.044 -15.439 1.00 41.27 H +ATOM 4443 HD13 ILE A1166 -27.529 4.306 -15.548 1.00 41.27 H +ATOM 4444 N PRO A1167 -29.977 7.345 -20.278 1.00 32.13 N +ATOM 4445 CA PRO A1167 -31.120 7.422 -21.211 1.00 32.58 C +ATOM 4446 C PRO A1167 -30.770 7.948 -22.617 1.00 34.66 C +ATOM 4447 O PRO A1167 -31.437 7.557 -23.575 1.00 34.80 O +ATOM 4448 CB PRO A1167 -32.132 8.328 -20.492 1.00 35.43 C +ATOM 4449 CG PRO A1167 -31.283 9.200 -19.584 1.00 39.58 C +ATOM 4450 CD PRO A1167 -30.181 8.247 -19.143 1.00 34.49 C +ATOM 4451 HA PRO A1167 -31.559 6.430 -21.330 1.00 32.58 H +ATOM 4452 HB3 PRO A1167 -32.801 7.713 -19.887 1.00 35.43 H +ATOM 4453 HB2 PRO A1167 -32.756 8.917 -21.167 1.00 35.43 H +ATOM 4454 HG3 PRO A1167 -31.837 9.635 -18.752 1.00 39.58 H +ATOM 4455 HG2 PRO A1167 -30.851 10.017 -20.164 1.00 39.58 H +ATOM 4456 HD2 PRO A1167 -29.294 8.802 -18.851 1.00 34.49 H +ATOM 4457 HD3 PRO A1167 -30.518 7.664 -18.286 1.00 34.49 H +ATOM 4458 N ILE A1168 -29.721 8.784 -22.721 1.00 31.51 N +ATOM 4459 CA ILE A1168 -29.197 9.291 -23.990 1.00 32.13 C +ATOM 4460 C ILE A1168 -28.511 8.173 -24.804 1.00 34.20 C +ATOM 4461 O ILE A1168 -28.800 8.046 -25.991 1.00 33.26 O +ATOM 4462 CB ILE A1168 -28.206 10.479 -23.784 1.00 35.61 C +ATOM 4463 CG1 ILE A1168 -28.912 11.681 -23.112 1.00 36.57 C +ATOM 4464 CG2 ILE A1168 -27.513 10.947 -25.085 1.00 37.22 C +ATOM 4465 CD1 ILE A1168 -27.951 12.768 -22.603 1.00 41.21 C +ATOM 4466 H ILE A1168 -29.223 9.068 -21.889 1.00 31.51 H +ATOM 4467 HA ILE A1168 -30.042 9.657 -24.577 1.00 32.13 H +ATOM 4468 HB ILE A1168 -27.424 10.141 -23.102 1.00 35.61 H +ATOM 4469 HG13 ILE A1168 -29.516 11.348 -22.268 1.00 36.57 H +ATOM 4470 HG12 ILE A1168 -29.617 12.126 -23.815 1.00 36.57 H +ATOM 4471 HG21 ILE A1168 -26.866 11.805 -24.906 1.00 37.22 H +ATOM 4472 HG22 ILE A1168 -26.882 10.174 -25.523 1.00 37.22 H +ATOM 4473 HG23 ILE A1168 -28.246 11.241 -25.836 1.00 37.22 H +ATOM 4474 HD11 ILE A1168 -28.388 13.310 -21.764 1.00 41.21 H +ATOM 4475 HD12 ILE A1168 -27.006 12.345 -22.261 1.00 41.21 H +ATOM 4476 HD13 ILE A1168 -27.730 13.496 -23.383 1.00 41.21 H +ATOM 4477 N LEU A1169 -27.657 7.367 -24.148 1.00 29.74 N +ATOM 4478 CA LEU A1169 -26.953 6.231 -24.752 1.00 29.80 C +ATOM 4479 C LEU A1169 -27.868 5.035 -25.075 1.00 35.11 C +ATOM 4480 O LEU A1169 -27.541 4.291 -25.998 1.00 36.14 O +ATOM 4481 CB LEU A1169 -25.764 5.817 -23.863 1.00 29.09 C +ATOM 4482 CG LEU A1169 -24.570 6.797 -23.947 1.00 32.75 C +ATOM 4483 CD1 LEU A1169 -23.576 6.567 -22.797 1.00 32.66 C +ATOM 4484 CD2 LEU A1169 -23.872 6.754 -25.325 1.00 36.03 C +ATOM 4485 H LEU A1169 -27.459 7.539 -23.171 1.00 29.74 H +ATOM 4486 HA LEU A1169 -26.553 6.569 -25.706 1.00 29.80 H +ATOM 4487 HB3 LEU A1169 -25.403 4.828 -24.147 1.00 29.09 H +ATOM 4488 HB2 LEU A1169 -26.113 5.716 -22.834 1.00 29.09 H +ATOM 4489 HG LEU A1169 -24.962 7.806 -23.809 1.00 32.75 H +ATOM 4490 HD11 LEU A1169 -23.204 7.517 -22.414 1.00 32.66 H +ATOM 4491 HD12 LEU A1169 -24.032 6.040 -21.959 1.00 32.66 H +ATOM 4492 HD13 LEU A1169 -22.715 5.980 -23.111 1.00 32.66 H +ATOM 4493 HD21 LEU A1169 -22.786 6.700 -25.243 1.00 36.03 H +ATOM 4494 HD22 LEU A1169 -24.191 5.896 -25.919 1.00 36.03 H +ATOM 4495 HD23 LEU A1169 -24.104 7.649 -25.902 1.00 36.03 H +ATOM 4496 N LYS A1170 -29.006 4.898 -24.370 1.00 32.29 N +ATOM 4497 CA LYS A1170 -30.090 3.969 -24.711 1.00 33.11 C +ATOM 4498 C LYS A1170 -30.806 4.351 -26.018 1.00 37.39 C +ATOM 4499 O LYS A1170 -31.069 3.467 -26.832 1.00 37.67 O +ATOM 4500 CB LYS A1170 -31.093 3.872 -23.540 1.00 37.22 C +ATOM 4501 CG LYS A1170 -30.590 2.975 -22.401 1.00 43.25 C +ATOM 4502 CD LYS A1170 -31.470 2.998 -21.144 1.00 49.41 C +ATOM 4503 CE LYS A1170 -30.974 1.985 -20.097 1.00 57.38 C +ATOM 4504 NZ LYS A1170 -31.740 2.055 -18.841 1.00 64.71 N1+ +ATOM 4505 H LYS A1170 -29.184 5.523 -23.595 1.00 32.29 H +ATOM 4506 HA LYS A1170 -29.644 2.984 -24.863 1.00 33.11 H +ATOM 4507 HB3 LYS A1170 -32.034 3.447 -23.892 1.00 37.22 H +ATOM 4508 HB2 LYS A1170 -31.334 4.868 -23.169 1.00 37.22 H +ATOM 4509 HG3 LYS A1170 -29.577 3.265 -22.127 1.00 43.25 H +ATOM 4510 HG2 LYS A1170 -30.528 1.952 -22.771 1.00 43.25 H +ATOM 4511 HD3 LYS A1170 -32.504 2.781 -21.417 1.00 49.41 H +ATOM 4512 HD2 LYS A1170 -31.462 4.005 -20.723 1.00 49.41 H +ATOM 4513 HE3 LYS A1170 -29.922 2.162 -19.870 1.00 57.38 H +ATOM 4514 HE2 LYS A1170 -31.042 0.971 -20.491 1.00 57.38 H +ATOM 4515 HZ1 LYS A1170 -32.711 1.842 -19.019 1.00 64.71 H +ATOM 4516 HZ2 LYS A1170 -31.359 1.382 -18.189 1.00 64.71 H +ATOM 4517 HZ3 LYS A1170 -31.661 2.981 -18.446 1.00 64.71 H +ATOM 4518 N THR A1171 -31.080 5.655 -26.201 1.00 34.80 N +ATOM 4519 CA THR A1171 -31.719 6.212 -27.397 1.00 35.33 C +ATOM 4520 C THR A1171 -30.788 6.195 -28.628 1.00 39.05 C +ATOM 4521 O THR A1171 -31.253 5.919 -29.734 1.00 39.67 O +ATOM 4522 CB THR A1171 -32.191 7.672 -27.151 1.00 44.81 C +ATOM 4523 OG1 THR A1171 -33.101 7.689 -26.068 1.00 44.59 O +ATOM 4524 CG2 THR A1171 -32.883 8.357 -28.345 1.00 42.98 C +ATOM 4525 H THR A1171 -30.820 6.319 -25.485 1.00 34.80 H +ATOM 4526 HA THR A1171 -32.595 5.603 -27.627 1.00 35.33 H +ATOM 4527 HB THR A1171 -31.339 8.285 -26.854 1.00 44.81 H +ATOM 4528 HG1 THR A1171 -32.626 7.474 -25.260 1.00 44.59 H +ATOM 4529 HG21 THR A1171 -33.280 9.332 -28.059 1.00 42.98 H +ATOM 4530 HG22 THR A1171 -32.195 8.528 -29.174 1.00 42.98 H +ATOM 4531 HG23 THR A1171 -33.714 7.757 -28.717 1.00 42.98 H +ATOM 4532 N VAL A1172 -29.488 6.450 -28.405 1.00 34.64 N +ATOM 4533 CA VAL A1172 -28.428 6.379 -29.411 1.00 35.04 C +ATOM 4534 C VAL A1172 -28.131 4.928 -29.852 1.00 37.21 C +ATOM 4535 O VAL A1172 -27.946 4.703 -31.046 1.00 35.63 O +ATOM 4536 CB VAL A1172 -27.143 7.095 -28.894 1.00 39.11 C +ATOM 4537 CG1 VAL A1172 -25.816 6.711 -29.572 1.00 39.01 C +ATOM 4538 CG2 VAL A1172 -27.317 8.624 -28.944 1.00 39.06 C +ATOM 4539 H VAL A1172 -29.190 6.697 -27.470 1.00 34.64 H +ATOM 4540 HA VAL A1172 -28.779 6.913 -30.296 1.00 35.04 H +ATOM 4541 HB VAL A1172 -27.028 6.831 -27.845 1.00 39.11 H +ATOM 4542 HG11 VAL A1172 -24.998 7.328 -29.201 1.00 39.01 H +ATOM 4543 HG12 VAL A1172 -25.545 5.679 -29.353 1.00 39.01 H +ATOM 4544 HG13 VAL A1172 -25.866 6.836 -30.653 1.00 39.01 H +ATOM 4545 HG21 VAL A1172 -26.471 9.134 -28.481 1.00 39.06 H +ATOM 4546 HG22 VAL A1172 -27.395 8.979 -29.973 1.00 39.06 H +ATOM 4547 HG23 VAL A1172 -28.216 8.947 -28.419 1.00 39.06 H +ATOM 4548 N HIS A1173 -28.162 3.964 -28.912 1.00 33.86 N +ATOM 4549 CA HIS A1173 -28.085 2.526 -29.202 1.00 34.98 C +ATOM 4550 C HIS A1173 -29.269 2.038 -30.064 1.00 39.49 C +ATOM 4551 O HIS A1173 -29.039 1.312 -31.030 1.00 38.50 O +ATOM 4552 CB HIS A1173 -27.958 1.728 -27.884 1.00 35.81 C +ATOM 4553 CG HIS A1173 -28.057 0.227 -28.027 1.00 39.76 C +ATOM 4554 ND1 HIS A1173 -27.140 -0.524 -28.739 1.00 41.19 N +ATOM 4555 CD2 HIS A1173 -28.997 -0.673 -27.574 1.00 42.70 C +ATOM 4556 CE1 HIS A1173 -27.550 -1.794 -28.700 1.00 41.61 C +ATOM 4557 NE2 HIS A1173 -28.672 -1.960 -28.011 1.00 43.01 N +ATOM 4558 H HIS A1173 -28.301 4.214 -27.942 1.00 33.86 H +ATOM 4559 HA HIS A1173 -27.175 2.355 -29.781 1.00 34.98 H +ATOM 4560 HB3 HIS A1173 -28.731 2.043 -27.182 1.00 35.81 H +ATOM 4561 HB2 HIS A1173 -27.004 1.956 -27.407 1.00 35.81 H +ATOM 4562 HD1 HIS A1173 -26.297 -0.188 -29.189 1.00 41.19 H +ATOM 4563 HD2 HIS A1173 -29.883 -0.493 -26.984 1.00 42.70 H +ATOM 4564 HE1 HIS A1173 -27.015 -2.605 -29.172 1.00 41.61 H +ATOM 4565 N GLU A1174 -30.492 2.486 -29.721 1.00 37.68 N +ATOM 4566 CA GLU A1174 -31.734 2.245 -30.465 1.00 39.70 C +ATOM 4567 C GLU A1174 -31.714 2.755 -31.917 1.00 42.94 C +ATOM 4568 O GLU A1174 -32.288 2.096 -32.783 1.00 44.72 O +ATOM 4569 CB GLU A1174 -32.928 2.853 -29.690 1.00 42.32 C +ATOM 4570 CG GLU A1174 -33.590 1.874 -28.695 1.00 60.01 C +ATOM 4571 CD GLU A1174 -34.476 0.787 -29.333 1.00 92.87 C +ATOM 4572 OE1 GLU A1174 -34.823 0.901 -30.531 1.00 94.43 O +ATOM 4573 OE2 GLU A1174 -34.787 -0.181 -28.607 1.00 90.73 O1- +ATOM 4574 H GLU A1174 -30.587 3.064 -28.897 1.00 37.68 H +ATOM 4575 HA GLU A1174 -31.865 1.164 -30.520 1.00 39.70 H +ATOM 4576 HB3 GLU A1174 -33.678 3.270 -30.365 1.00 42.32 H +ATOM 4577 HB2 GLU A1174 -32.584 3.713 -29.118 1.00 42.32 H +ATOM 4578 HG3 GLU A1174 -34.218 2.444 -28.008 1.00 60.01 H +ATOM 4579 HG2 GLU A1174 -32.821 1.404 -28.079 1.00 60.01 H +ATOM 4580 N LYS A1175 -31.049 3.898 -32.157 1.00 37.93 N +ATOM 4581 CA LYS A1175 -30.916 4.516 -33.475 1.00 37.53 C +ATOM 4582 C LYS A1175 -30.057 3.689 -34.451 1.00 41.18 C +ATOM 4583 O LYS A1175 -30.457 3.538 -35.605 1.00 39.68 O +ATOM 4584 CB LYS A1175 -30.394 5.962 -33.306 1.00 38.66 C +ATOM 4585 CG LYS A1175 -30.164 6.728 -34.623 1.00 48.52 C +ATOM 4586 CD LYS A1175 -29.752 8.193 -34.396 1.00 57.93 C +ATOM 4587 CE LYS A1175 -29.430 8.957 -35.694 1.00 71.38 C +ATOM 4588 NZ LYS A1175 -30.616 9.158 -36.546 1.00 86.87 N1+ +ATOM 4589 H LYS A1175 -30.614 4.388 -31.387 1.00 37.93 H +ATOM 4590 HA LYS A1175 -31.919 4.581 -33.901 1.00 37.53 H +ATOM 4591 HB3 LYS A1175 -29.457 5.952 -32.748 1.00 38.66 H +ATOM 4592 HB2 LYS A1175 -31.102 6.518 -32.690 1.00 38.66 H +ATOM 4593 HG3 LYS A1175 -31.073 6.679 -35.224 1.00 48.52 H +ATOM 4594 HG2 LYS A1175 -29.381 6.240 -35.205 1.00 48.52 H +ATOM 4595 HD3 LYS A1175 -28.873 8.216 -33.751 1.00 57.93 H +ATOM 4596 HD2 LYS A1175 -30.535 8.714 -33.842 1.00 57.93 H +ATOM 4597 HE3 LYS A1175 -28.670 8.427 -36.268 1.00 71.38 H +ATOM 4598 HE2 LYS A1175 -29.017 9.937 -35.450 1.00 71.38 H +ATOM 4599 HZ1 LYS A1175 -31.314 9.681 -36.036 1.00 86.87 H +ATOM 4600 HZ2 LYS A1175 -30.354 9.669 -37.377 1.00 86.87 H +ATOM 4601 HZ3 LYS A1175 -30.995 8.259 -36.810 1.00 86.87 H +ATOM 4602 N TYR A1176 -28.899 3.197 -33.979 1.00 37.88 N +ATOM 4603 CA TYR A1176 -27.885 2.563 -34.828 1.00 38.84 C +ATOM 4604 C TYR A1176 -27.953 1.027 -34.871 1.00 43.27 C +ATOM 4605 O TYR A1176 -27.270 0.452 -35.720 1.00 45.60 O +ATOM 4606 CB TYR A1176 -26.485 3.078 -34.423 1.00 39.66 C +ATOM 4607 CG TYR A1176 -26.296 4.566 -34.678 1.00 42.14 C +ATOM 4608 CD1 TYR A1176 -26.318 5.066 -35.998 1.00 44.87 C +ATOM 4609 CD2 TYR A1176 -26.135 5.463 -33.603 1.00 42.46 C +ATOM 4610 CE1 TYR A1176 -26.218 6.451 -36.234 1.00 44.19 C +ATOM 4611 CE2 TYR A1176 -26.041 6.848 -33.836 1.00 43.50 C +ATOM 4612 CZ TYR A1176 -26.095 7.343 -35.152 1.00 49.64 C +ATOM 4613 OH TYR A1176 -26.038 8.687 -35.378 1.00 54.89 O +ATOM 4614 H TYR A1176 -28.644 3.357 -33.015 1.00 37.88 H +ATOM 4615 HA TYR A1176 -28.048 2.875 -35.861 1.00 38.84 H +ATOM 4616 HB3 TYR A1176 -25.711 2.557 -34.990 1.00 39.66 H +ATOM 4617 HB2 TYR A1176 -26.289 2.852 -33.373 1.00 39.66 H +ATOM 4618 HD1 TYR A1176 -26.433 4.390 -36.832 1.00 44.87 H +ATOM 4619 HD2 TYR A1176 -26.099 5.095 -32.593 1.00 42.46 H +ATOM 4620 HE1 TYR A1176 -26.253 6.827 -37.246 1.00 44.19 H +ATOM 4621 HE2 TYR A1176 -25.937 7.526 -33.001 1.00 43.50 H +ATOM 4622 HH TYR A1176 -25.948 9.201 -34.572 1.00 54.89 H +ATOM 4623 N ARG A1177 -28.762 0.377 -34.010 1.00 37.76 N +ATOM 4624 CA ARG A1177 -28.970 -1.079 -34.048 1.00 53.07 C +ATOM 4625 C ARG A1177 -29.859 -1.518 -35.231 1.00 74.57 C +ATOM 4626 O ARG A1177 -30.571 -0.696 -35.809 1.00 46.90 O +ATOM 4627 CB ARG A1177 -29.511 -1.584 -32.688 1.00 52.87 C +ATOM 4628 CG ARG A1177 -30.992 -1.278 -32.399 1.00 64.39 C +ATOM 4629 CD ARG A1177 -31.506 -1.984 -31.134 1.00 74.69 C +ATOM 4630 NE ARG A1177 -32.971 -1.892 -31.019 1.00 82.78 N +ATOM 4631 CZ ARG A1177 -33.898 -2.624 -31.666 1.00 98.29 C +ATOM 4632 NH1 ARG A1177 -33.573 -3.609 -32.517 1.00 84.15 N +ATOM 4633 NH2 ARG A1177 -35.190 -2.348 -31.453 1.00 87.75 N1+ +ATOM 4634 H ARG A1177 -29.298 0.897 -33.330 1.00 37.76 H +ATOM 4635 HA ARG A1177 -27.992 -1.543 -34.191 1.00 53.07 H +ATOM 4636 HB3 ARG A1177 -28.890 -1.210 -31.874 1.00 52.87 H +ATOM 4637 HB2 ARG A1177 -29.385 -2.667 -32.665 1.00 52.87 H +ATOM 4638 HG3 ARG A1177 -31.654 -1.468 -33.244 1.00 64.39 H +ATOM 4639 HG2 ARG A1177 -31.036 -0.203 -32.231 1.00 64.39 H +ATOM 4640 HD3 ARG A1177 -31.144 -1.423 -30.271 1.00 74.69 H +ATOM 4641 HD2 ARG A1177 -31.122 -2.997 -31.017 1.00 74.69 H +ATOM 4642 HE ARG A1177 -33.313 -1.142 -30.430 1.00 82.78 H +ATOM 4643 HH12 ARG A1177 -34.291 -4.134 -32.995 1.00 84.15 H +ATOM 4644 HH11 ARG A1177 -32.602 -3.818 -32.693 1.00 84.15 H +ATOM 4645 HH22 ARG A1177 -35.920 -2.866 -31.920 1.00 87.75 H +ATOM 4646 HH21 ARG A1177 -35.440 -1.582 -30.838 1.00 87.75 H +HETATM 4647 N NME A1178 -29.823 -2.825 -35.529 1.00 0.00 N +HETATM 4648 C NME A1178 -30.631 -3.440 -36.574 1.00 0.00 C +HETATM 4649 H NME A1178 -29.221 -3.437 -34.999 1.00 0.00 H +HETATM 4650 H1 NME A1178 -30.866 -2.747 -37.383 1.00 0.00 H +HETATM 4651 H2 NME A1178 -30.094 -4.284 -37.007 1.00 0.00 H +HETATM 4652 H3 NME A1178 -31.567 -3.811 -36.156 1.00 0.00 H +TER 4653 NME A1178 +HETATM 4654 O HOH A1318 -4.518 -0.052 -15.607 1.00 36.69 O +HETATM 4655 H1 HOH A1318 -5.515 -0.144 -15.528 1.00 36.69 H +HETATM 4656 H2 HOH A1318 -4.107 -0.409 -14.766 1.00 36.69 H +HETATM 4657 O HOH A1325 -7.204 -8.554 -20.752 1.00 38.47 O +HETATM 4658 H1 HOH A1325 -7.019 -9.479 -20.412 1.00 38.47 H +HETATM 4659 H2 HOH A1325 -6.471 -8.283 -21.383 1.00 38.47 H +CONECT 4654 4655 4656 +CONECT 4655 4654 +CONECT 4656 4654 +CONECT 4657 4658 4659 +CONECT 4658 4657 +CONECT 4659 4657 +END diff --git a/feflow/tests/test_nonequilibrium_cycling.py b/feflow/tests/test_nonequilibrium_cycling.py index 1e95a36..9154a35 100644 --- a/feflow/tests/test_nonequilibrium_cycling.py +++ b/feflow/tests/test_nonequilibrium_cycling.py @@ -372,7 +372,41 @@ def test_create_execute_gather_toluene_to_toluene( pass # TODO: We could also generate a plot with the forward and reverse works and visually check the results. - # TODO: Potentially setup (not run) a protein-ligand system + + @pytest.mark.slow + def test_tyk2_complex( + self, + protocol_short, + tyk2_lig_ejm_54_complex, + tyk2_lig_ejm_46_complex, + mapping_tyk2_54_to_46, + tmpdir, + ): + """ + Run the protocol with single transformation between ligands ejm_54 and ejm_46 + from the tyk2 dataset. + """ + dag = protocol_short.create( + stateA=tyk2_lig_ejm_54_complex, + stateB=tyk2_lig_ejm_46_complex, + name="Short protein-ligand complex transformation", + mapping=mapping_tyk2_54_to_46, + ) + + with tmpdir.as_cwd(): + shared = Path("shared") + shared.mkdir() + scratch = Path("scratch") + scratch.mkdir() + + dagresult = execute_DAG( + dag, + shared_basedir=shared, + scratch_basedir=scratch, + ) + + # Check that the dag was executed correctly + assert dagresult.ok(), f"DAG was not executed correctly." @pytest.mark.parametrize("method, backend", partial_charges_config()) def test_partial_charge_assignation( diff --git a/feflow/utils/hybrid_topology.py b/feflow/utils/hybrid_topology.py index 6696e01..188125d 100644 --- a/feflow/utils/hybrid_topology.py +++ b/feflow/utils/hybrid_topology.py @@ -2728,14 +2728,15 @@ def _create_hybrid_topology(self): hybrid_atom = hybrid_top.addAtom(at.name, at.element, hybrid_residue, at.id) # Next we deal with bonds + hybrid_top_atom_list = list(hybrid_top.atoms()) # First we add in all the old topology bonds for bond in self._old_topology.bonds(): at1 = self.old_to_hybrid_atom_map[bond.atom1.index] at2 = self.old_to_hybrid_atom_map[bond.atom2.index] hybrid_top.addBond( - list(hybrid_top.atoms())[at1], - list(hybrid_top.atoms())[at2], + hybrid_top_atom_list[at1], + hybrid_top_atom_list[at2], bond.type, bond.order, ) @@ -2749,8 +2750,8 @@ def _create_hybrid_topology(self): at2 in self._atom_classes["unique_new_atoms"] ): hybrid_top.addBond( - list(hybrid_top.atoms())[at1], - list(hybrid_top.atoms())[at2], + hybrid_top_atom_list[at1], + hybrid_top_atom_list[at2], bond.type, bond.order, )