From 634ec6002447c538c08492c9385e094d92b652a6 Mon Sep 17 00:00:00 2001 From: IAlibay Date: Thu, 27 Apr 2023 17:15:19 +0100 Subject: [PATCH 1/2] change casing and switch to tyk2 from p38 --- .../molecules/rbfe/p38_old_ligands.sdf | 5215 --------------- .../molecules/rbfe/p38_old_protein.pdb | 5635 ----------------- .../OpenFE_run_easy_rbfe.sh | 2 +- .../OpenFE_run_easy_rhfe.sh | 2 +- .../cli-tutorial.md | 0 easy_campaign/molecules/rbfe/tyk2_ligands.sdf | 1048 +++ easy_campaign/molecules/rbfe/tyk2_protein.pdb | 5265 +++++++++++++++ .../molecules/rhfe/benzenes_RHFE.sdf | 0 ...pplyingProtocolToNetworkQuickrunDemo.ipynb | 0 ...OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb | 0 {openmm-rbfe => openmm_rbfe}/__init__.py | 0 .../assets/RBFE_workflow.drawio.pdf | Bin .../benchmark_demo.ipynb | 0 .../inputs/181L_mod.pdb | 0 .../inputs/181L_mod_capped.pdb | 0 .../inputs/181L_mod_capped_protonated.pdb | 0 .../inputs/Jnk1_ligands.sdf | 0 {openmm-rbfe => openmm_rbfe}/inputs/README.md | 0 .../inputs/anisole.sdf | 0 .../inputs/benzaldehyde.sdf | 0 .../inputs/benzene.pdb | 0 .../inputs/benzene.sdf | 0 .../inputs/benzonitrile.sdf | 0 .../inputs/ligands.sdf | 0 .../inputs/morphine.sdf | 0 .../inputs/oxycodone.sdf | 0 .../inputs/phenol.pdb | 0 .../inputs/phenol.sdf | 0 .../inputs/styrene.sdf | 0 .../inputs/toluene.sdf | 0 30 files changed, 6315 insertions(+), 10852 deletions(-) delete mode 100644 easyCampaign/molecules/rbfe/p38_old_ligands.sdf delete mode 100644 easyCampaign/molecules/rbfe/p38_old_protein.pdb rename {easyCampaign => easy_campaign}/OpenFE_run_easy_rbfe.sh (87%) rename {easyCampaign => easy_campaign}/OpenFE_run_easy_rhfe.sh (93%) rename {easyCampaign => easy_campaign}/cli-tutorial.md (100%) create mode 100644 easy_campaign/molecules/rbfe/tyk2_ligands.sdf create mode 100644 easy_campaign/molecules/rbfe/tyk2_protein.pdb rename {easyCampaign => easy_campaign}/molecules/rhfe/benzenes_RHFE.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/ApplyingProtocolToNetworkQuickrunDemo.ipynb (100%) rename {openmm-rbfe => openmm_rbfe}/OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb (100%) rename {openmm-rbfe => openmm_rbfe}/__init__.py (100%) rename {openmm-rbfe => openmm_rbfe}/assets/RBFE_workflow.drawio.pdf (100%) rename {openmm-rbfe => openmm_rbfe}/benchmark_demo.ipynb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/181L_mod.pdb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/181L_mod_capped.pdb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/181L_mod_capped_protonated.pdb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/Jnk1_ligands.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/README.md (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/anisole.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/benzaldehyde.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/benzene.pdb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/benzene.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/benzonitrile.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/ligands.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/morphine.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/oxycodone.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/phenol.pdb (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/phenol.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/styrene.sdf (100%) rename {openmm-rbfe => openmm_rbfe}/inputs/toluene.sdf (100%) diff --git a/easyCampaign/molecules/rbfe/p38_old_ligands.sdf b/easyCampaign/molecules/rbfe/p38_old_ligands.sdf deleted file mode 100644 index 4ef3e93..0000000 --- a/easyCampaign/molecules/rbfe/p38_old_ligands.sdf +++ /dev/null @@ -1,5215 +0,0 @@ -lig_p38a_2aa - 3D - Structure written by MMmdl. - 43 45 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.5600 35.4400 24.3600 H 0 0 0 0 0 0 - 32.6800 34.4500 23.2000 H 0 0 0 0 0 0 - 34.2900 33.9900 23.7600 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.1200 38.7100 26.0600 C 0 0 0 0 0 0 - 33.9800 38.9300 27.3200 C 0 0 0 0 0 0 - 31.6700 39.1100 26.3500 C 0 0 0 0 0 0 - 33.1600 37.6600 25.7700 H 0 0 0 0 0 0 - 33.4700 38.1400 28.3800 O 0 0 0 0 0 0 - 35.0100 38.6400 27.1200 H 0 0 0 0 0 0 - 33.9400 39.9800 27.6100 H 0 0 0 0 0 0 - 31.1600 38.3200 27.4000 O 0 0 0 0 0 0 - 31.6300 40.1600 26.6400 H 0 0 0 0 0 0 - 31.0600 38.9600 25.4600 H 0 0 0 0 0 0 - 34.0000 38.2700 29.1600 H 0 0 0 0 0 0 - 30.2500 38.5700 27.5800 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.5000 17.4700 C 0 0 0 0 0 0 - 37.5200 36.5300 18.3300 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3900 36.6700 17.1600 C 0 0 0 0 0 0 - 35.9300 37.6400 16.3000 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1000 37.8300 17.5900 H 0 0 0 0 0 0 - 38.2700 36.0100 19.2900 F 0 0 0 0 0 0 - 34.3400 36.3500 17.0400 H 0 0 0 0 0 0 - 35.3000 38.0800 15.5000 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 32 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 21 24 1 0 0 0 - 21 25 1 0 0 0 - 21 26 1 0 0 0 - 22 27 1 0 0 0 - 22 28 1 0 0 0 - 22 29 1 0 0 0 - 24 30 1 0 0 0 - 27 31 1 0 0 0 - 32 36 1 0 0 0 - 33 34 1 0 0 0 - 33 38 2 0 0 0 - 33 39 1 0 0 0 - 34 35 2 0 0 0 - 34 40 1 0 0 0 - 35 36 1 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 37 38 1 0 0 0 - 37 42 1 0 0 0 - 38 43 1 0 0 0 -M END -> -1 - -> -lig_p38a_2aa.1 - -> -MX MODEL - -> -1 - -> -177.04 - -> -135.86 - -> -273.32 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked/lig_p38a_2aa - -> -lig_p38a_2aa.pdb - -> -1 - -$$$$ -lig_p38a_2bb - 3D - Structure written by MMmdl. - 44 46 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.3200 35.4800 24.2700 H 0 0 0 0 0 0 - 32.8300 34.2300 23.1200 H 0 0 0 0 0 0 - 34.3900 34.1600 23.9300 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.1200 38.7100 26.0600 C 0 0 0 0 0 0 - 32.0900 38.9900 26.2600 H 0 0 0 0 0 0 - 33.1700 37.6600 25.7800 H 0 0 0 0 0 0 - 33.9700 38.9400 27.3300 C 0 0 0 0 0 0 - 35.0000 38.6600 27.1300 H 0 0 0 0 0 0 - 33.9200 39.9900 27.6100 H 0 0 0 0 0 0 - 33.3200 37.9400 28.6600 S 0 0 0 0 0 0 - 34.1600 38.1800 29.8600 O 0 0 0 0 0 0 - 31.6600 38.4900 29.0100 C 0 0 0 0 0 0 - 33.2600 36.5300 28.1900 O 0 0 0 0 0 0 - 31.0300 38.3200 28.1400 H 0 0 0 0 0 0 - 31.2600 37.9300 29.8600 H 0 0 0 0 0 0 - 31.6700 39.5500 29.2500 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4700 17.4400 C 0 0 0 0 0 0 - 37.5300 36.5000 18.3000 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.7000 17.1800 C 0 0 0 0 0 0 - 35.9200 37.6700 16.3200 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.7800 17.5500 H 0 0 0 0 0 0 - 38.2900 35.9500 19.2500 F 0 0 0 0 0 0 - 34.3200 36.4000 17.0800 H 0 0 0 0 0 0 - 35.2800 38.1300 15.5400 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 33 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 23 24 1 0 0 0 - 23 25 1 0 0 0 - 23 26 1 0 0 0 - 26 27 2 0 0 0 - 26 28 1 0 0 0 - 26 29 2 0 0 0 - 28 30 1 0 0 0 - 28 31 1 0 0 0 - 28 32 1 0 0 0 - 33 37 1 0 0 0 - 34 35 1 0 0 0 - 34 39 2 0 0 0 - 34 40 1 0 0 0 - 35 36 2 0 0 0 - 35 41 1 0 0 0 - 36 37 1 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 38 39 1 0 0 0 - 38 43 1 0 0 0 - 39 44 1 0 0 0 -M END -> -2 - -> -lig_p38a_2bb.1 - -> -MX MODEL - -> -1 - -> -161.9 - -> -135.86 - -> -286.5 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2bb.pdb - -> -1 - -$$$$ -lig_p38a_2c - 3D - Structure written by MMmdl. - 45 48 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 33.6300 34.8400 23.4300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.6900 37.7200 19.4400 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4200 35.4900 24.2800 H 0 0 0 0 0 0 - 32.7000 34.3800 23.0900 H 0 0 0 0 0 0 - 34.3300 34.0600 23.7300 H 0 0 0 0 0 0 - 33.7400 40.5700 24.9900 H 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 36.5600 33.8100 16.6000 C 0 0 0 0 0 0 - 36.9700 33.3500 17.8600 C 0 0 0 0 0 0 - 36.5100 34.0000 19.0000 C 0 0 0 0 0 0 - 35.6500 35.0900 18.8900 C 0 0 0 0 0 0 - 35.2400 35.5500 17.6300 C 0 0 0 0 0 0 - 35.7100 34.9000 16.4900 C 0 0 0 0 0 0 - 36.9200 33.3100 15.7100 H 0 0 0 0 0 0 - 37.6400 32.5100 17.9400 H 0 0 0 0 0 0 - 37.0132 33.4465 20.5599 Cl 0 0 0 0 0 0 - 34.5800 36.3900 17.5500 H 0 0 0 0 0 0 - 35.3900 35.2400 15.5200 H 0 0 0 0 0 0 - 31.3000 38.3600 27.6500 C 0 0 0 0 0 0 - 31.8000 39.1800 26.4500 C 0 0 0 0 0 0 - 33.2100 38.7400 26.0300 C 0 0 0 0 0 0 - 34.1900 38.8500 27.2100 C 0 0 0 0 0 0 - 33.7000 38.0200 28.4100 C 0 0 0 0 0 0 - 32.2900 38.4600 28.8300 O 0 0 0 0 0 0 - 31.1900 37.2900 27.3500 H 0 0 0 0 0 0 - 30.2900 38.7100 27.9700 H 0 0 0 0 0 0 - 31.8100 40.2600 26.7200 H 0 0 0 0 0 0 - 31.0900 39.0700 25.5900 H 0 0 0 0 0 0 - 33.1800 37.6900 25.6600 H 0 0 0 0 0 0 - 35.2000 38.4900 26.8900 H 0 0 0 0 0 0 - 34.3000 39.9200 27.5100 H 0 0 0 0 0 0 - 33.6900 36.9400 28.1300 H 0 0 0 0 0 0 - 34.4100 38.1300 29.2600 H 0 0 0 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 1 19 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 13 1 0 0 0 - 4 19 2 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 10 1 0 0 0 - 7 15 1 0 0 0 - 7 16 1 0 0 0 - 7 17 1 0 0 0 - 12 18 1 0 0 0 - 12 33 1 0 0 0 - 19 23 1 0 0 0 - 20 21 1 0 0 0 - 20 25 2 0 0 0 - 20 26 1 0 0 0 - 21 22 2 0 0 0 - 21 27 1 0 0 0 - 22 23 1 0 0 0 - 22 28 1 0 0 0 - 23 24 2 0 0 0 - 24 25 1 0 0 0 - 24 29 1 0 0 0 - 25 30 1 0 0 0 - 31 32 1 0 0 0 - 31 36 1 0 0 0 - 31 37 1 0 0 0 - 31 38 1 0 0 0 - 32 33 1 0 0 0 - 32 39 1 0 0 0 - 32 40 1 0 0 0 - 33 34 1 0 0 0 - 33 41 1 0 0 0 - 34 35 1 0 0 0 - 34 42 1 0 0 0 - 34 43 1 0 0 0 - 35 36 1 0 0 0 - 35 44 1 0 0 0 - 35 45 1 0 0 0 -M END -> -1 - -> -lig_p38a_2c.1 - -> -MX MODEL - -> -1 - -> -146.94 - -> -161.2 - -> -274.98 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked/lig_p38a_2c - -> -lig_p38a_2c.sdf - -> -1 - -> -1 - -> -0 - -$$$$ -lig_p38a_2e - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6300 34.8400 23.4300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.6900 37.7200 19.4400 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4200 35.4900 24.2800 H 0 0 0 0 0 0 - 32.7000 34.3800 23.0900 H 0 0 0 0 0 0 - 34.3300 34.0600 23.7300 H 0 0 0 0 0 0 - 33.7300 40.5700 24.9800 H 0 0 0 0 0 0 - 31.3100 38.3200 27.6400 C 0 0 0 0 0 0 - 31.8000 39.1500 26.4400 C 0 0 0 0 0 0 - 33.2200 38.7400 26.0300 C 0 0 0 0 0 0 - 34.1900 38.8800 27.2200 C 0 0 0 0 0 0 - 33.7100 38.0600 28.4200 C 0 0 0 0 0 0 - 32.2800 38.4600 28.8300 O 0 0 0 0 0 0 - 31.2300 37.2500 27.3500 H 0 0 0 0 0 0 - 30.2900 38.6600 27.9500 H 0 0 0 0 0 0 - 31.7800 40.2300 26.7000 H 0 0 0 0 0 0 - 31.1000 39.0100 25.5800 H 0 0 0 0 0 0 - 33.2200 37.6900 25.6700 H 0 0 0 0 0 0 - 35.2200 38.5500 26.9100 H 0 0 0 0 0 0 - 34.2700 39.9500 27.5100 H 0 0 0 0 0 0 - 33.7300 36.9700 28.1600 H 0 0 0 0 0 0 - 34.4100 38.1900 29.2800 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0800 37.4500 17.4200 C 0 0 0 0 0 0 - 37.5400 36.4800 18.2800 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7300 17.2100 C 0 0 0 0 0 0 - 35.9100 37.7000 16.3500 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1400 37.7300 17.5000 H 0 0 0 0 0 0 - 38.1800 36.0000 19.0400 H 0 0 0 0 0 0 - 34.3100 36.4400 17.1200 H 0 0 0 0 0 0 - 35.2700 38.1800 15.5900 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 35 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -3 - -> -lig_p38a_2e.1 - -> -MX MODEL - -> -1 - -> -176.98 - -> -135.84 - -> -273.96 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2e.pdb - -> -1 - -$$$$ -lig_p38a_2ee - 3D - Structure written by MMmdl. - 52 55 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4000 35.4700 24.3000 H 0 0 0 0 0 0 - 32.7700 34.3000 23.1400 H 0 0 0 0 0 0 - 34.3700 34.1000 23.8700 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1200 38.3000 27.4500 C 0 0 0 0 0 0 - 31.6800 39.1100 26.2700 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0000 38.9500 27.2700 C 0 0 0 0 0 0 - 33.4400 38.1300 28.4500 C 0 0 0 0 0 0 - 31.1000 37.2200 27.1800 H 0 0 0 0 0 0 - 30.0600 38.6000 27.6500 H 0 0 0 0 0 0 - 31.6000 40.2000 26.5100 H 0 0 0 0 0 0 - 31.0700 38.9300 25.3600 H 0 0 0 0 0 0 - 33.2200 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0600 38.6500 27.0700 H 0 0 0 0 0 0 - 34.0200 40.0300 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0400 28.2100 H 0 0 0 0 0 0 - 34.0500 38.3100 29.3600 H 0 0 0 0 0 0 - 32.0000 38.4700 28.6500 N 0 0 0 0 0 0 - 31.5100 38.9100 29.8600 C 0 0 0 0 0 0 - 30.4900 39.5600 29.9200 O 0 0 0 0 0 0 - 32.2800 38.5700 31.1500 C 0 0 0 0 0 0 - 33.1600 37.9800 30.9000 H 0 0 0 0 0 0 - 32.5800 39.4800 31.6500 H 0 0 0 0 0 0 - 31.6400 37.9900 31.8200 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4600 17.4300 C 0 0 0 0 0 0 - 37.5300 36.4900 18.2900 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7200 17.2000 C 0 0 0 0 0 0 - 35.9100 37.6900 16.3400 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7500 17.5200 H 0 0 0 0 0 0 - 38.3100 35.9200 19.2100 F 0 0 0 0 0 0 - 34.3100 36.4300 17.1100 H 0 0 0 0 0 0 - 35.2700 38.1600 15.5700 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 41 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 34 1 0 0 0 - 21 22 1 0 0 0 - 21 27 1 0 0 0 - 21 28 1 0 0 0 - 22 23 1 0 0 0 - 22 29 1 0 0 0 - 23 24 1 0 0 0 - 23 30 1 0 0 0 - 23 31 1 0 0 0 - 24 32 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 34 35 1 0 0 0 - 35 36 2 0 0 0 - 35 37 1 0 0 0 - 37 38 1 0 0 0 - 37 39 1 0 0 0 - 37 40 1 0 0 0 - 41 45 1 0 0 0 - 42 43 1 0 0 0 - 42 47 2 0 0 0 - 42 48 1 0 0 0 - 43 44 2 0 0 0 - 43 49 1 0 0 0 - 44 45 1 0 0 0 - 44 50 1 0 0 0 - 45 46 2 0 0 0 - 46 47 1 0 0 0 - 46 51 1 0 0 0 - 47 52 1 0 0 0 -M END -> -4 - -> -lig_p38a_2ee.1 - -> -MX MODEL - -> -1 - -> -181.44 - -> -135.86 - -> -324.92 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2ee.pdb - -> -1 - -$$$$ -lig_p38a_2f - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6300 34.8400 23.4300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.6900 37.7200 19.4400 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4200 35.4900 24.2800 H 0 0 0 0 0 0 - 32.7000 34.3800 23.0900 H 0 0 0 0 0 0 - 34.3300 34.0600 23.7300 H 0 0 0 0 0 0 - 33.7400 40.5700 24.9900 H 0 0 0 0 0 0 - 31.2300 38.2300 27.5300 C 0 0 0 0 0 0 - 31.7400 39.0600 26.3300 C 0 0 0 0 0 0 - 33.2100 38.7400 26.0300 C 0 0 0 0 0 0 - 34.0900 38.9800 27.2700 C 0 0 0 0 0 0 - 33.5900 38.1600 28.4600 C 0 0 0 0 0 0 - 32.1200 38.4700 28.7700 O 0 0 0 0 0 0 - 31.2500 37.1500 27.2700 H 0 0 0 0 0 0 - 30.1700 38.5000 27.7600 H 0 0 0 0 0 0 - 31.6300 40.1500 26.5600 H 0 0 0 0 0 0 - 31.1100 38.8500 25.4300 H 0 0 0 0 0 0 - 33.3000 37.6800 25.7000 H 0 0 0 0 0 0 - 35.1500 38.7200 27.0400 H 0 0 0 0 0 0 - 34.0800 40.0700 27.5300 H 0 0 0 0 0 0 - 33.7000 37.0700 28.2400 H 0 0 0 0 0 0 - 34.2200 38.3700 29.3600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0400 37.5300 17.4900 C 0 0 0 0 0 0 - 37.5100 36.5600 18.3500 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.4000 36.6500 17.1300 C 0 0 0 0 0 0 - 35.9400 37.6200 16.2700 C 0 0 0 0 0 0 - 37.6800 38.8200 15.7800 H 0 0 0 0 0 0 - 39.0800 37.8800 17.6300 H 0 0 0 0 0 0 - 38.1200 36.1500 19.1700 H 0 0 0 0 0 0 - 34.3700 36.3000 16.9900 H 0 0 0 0 0 0 - 35.2000 38.1200 15.2900 F 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 35 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -5 - -> -lig_p38a_2f.1 - -> -MX MODEL - -> -1 - -> -178.16 - -> -135.84 - -> -281.54 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2f.pdb - -> -1 - -$$$$ -lig_p38a_2ff - 3D - Structure written by MMmdl. - 49 52 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4000 35.4700 24.3000 H 0 0 0 0 0 0 - 32.7700 34.3000 23.1400 H 0 0 0 0 0 0 - 34.3700 34.1000 23.8700 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1500 38.3500 27.5000 C 0 0 0 0 0 0 - 31.7100 39.1700 26.3300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 2 0 0 0 - 34.0500 38.8900 27.2500 C 0 0 0 0 0 0 - 33.4900 38.0700 28.4200 C 0 0 0 0 0 0 - 32.0400 38.4900 28.7400 C 0 0 2 0 0 0 - 31.0800 37.2700 27.2100 H 0 0 0 0 0 0 - 30.1100 38.6900 27.7400 H 0 0 0 0 0 0 - 31.6800 40.2500 26.5800 H 0 0 0 0 0 0 - 31.0600 39.0300 25.4200 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6500 H 0 0 0 0 0 0 - 35.0900 38.5500 27.0100 H 0 0 0 0 0 0 - 34.1100 39.9700 27.5400 H 0 0 0 0 0 0 - 33.5200 36.9900 28.1700 H 0 0 0 0 0 0 - 34.1300 38.2100 29.3300 H 0 0 0 0 0 0 - 32.0300 39.5500 29.0900 H 0 0 0 0 0 0 - 31.5400 37.6900 29.7900 O 0 0 0 0 0 0 - 32.1000 37.7800 30.5600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4600 17.4300 C 0 0 0 0 0 0 - 37.5300 36.4900 18.2900 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7200 17.2000 C 0 0 0 0 0 0 - 35.9100 37.6900 16.3400 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7500 17.5200 H 0 0 0 0 0 0 - 38.3100 35.9200 19.2100 F 0 0 0 0 0 0 - 34.3100 36.4300 17.1100 H 0 0 0 0 0 0 - 35.2700 38.1600 15.5700 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 38 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 25 35 1 0 0 0 - 25 36 1 0 0 0 - 36 37 1 0 0 0 - 38 42 1 0 0 0 - 39 40 1 0 0 0 - 39 44 2 0 0 0 - 39 45 1 0 0 0 - 40 41 2 0 0 0 - 40 46 1 0 0 0 - 41 42 1 0 0 0 - 41 47 1 0 0 0 - 42 43 2 0 0 0 - 43 44 1 0 0 0 - 43 48 1 0 0 0 - 44 49 1 0 0 0 -M END -> -6 - -> -lig_p38a_2ff.1 - -> -MX MODEL - -> -1 - -> -180.52 - -> -135.86 - -> -299.88 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2ff.pdb - -> -1 - -$$$$ -lig_p38a_2g - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4000 35.4700 24.3000 H 0 0 0 0 0 0 - 32.7700 34.3000 23.1400 H 0 0 0 0 0 0 - 34.3700 34.1000 23.8700 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1300 38.3300 27.4800 C 0 0 0 0 0 0 - 31.7000 39.1500 26.3100 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0300 38.9100 27.2600 C 0 0 0 0 0 0 - 33.4700 38.1000 28.4300 C 0 0 0 0 0 0 - 32.0100 38.4900 28.7300 O 0 0 0 0 0 0 - 31.0900 37.2500 27.2000 H 0 0 0 0 0 0 - 30.0900 38.6500 27.7100 H 0 0 0 0 0 0 - 31.6500 40.2300 26.5500 H 0 0 0 0 0 0 - 31.0600 38.9900 25.4000 H 0 0 0 0 0 0 - 33.1900 37.6900 25.6600 H 0 0 0 0 0 0 - 35.0800 38.5900 27.0300 H 0 0 0 0 0 0 - 34.0800 39.9900 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0100 28.1900 H 0 0 0 0 0 0 - 34.1000 38.2500 29.3400 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0400 37.5300 17.4900 C 0 0 0 0 0 0 - 37.5100 36.5600 18.3500 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.4000 36.6500 17.1300 C 0 0 0 0 0 0 - 35.9400 37.6200 16.2700 C 0 0 0 0 0 0 - 37.6800 38.8200 15.7800 H 0 0 0 0 0 0 - 39.0800 37.8800 17.6300 H 0 0 0 0 0 0 - 38.2500 36.0600 19.3400 F 0 0 0 0 0 0 - 34.3700 36.3000 16.9900 H 0 0 0 0 0 0 - 35.3300 38.0300 15.4600 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 35 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -7 - -> -lig_p38a_2g.1 - -> -MX MODEL - -> -1 - -> -179.86 - -> -135.86 - -> -277.72 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2g.pdb - -> -1 - -$$$$ -lig_p38a_2gg - 3D - Structure written by MMmdl. - 48 51 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.5700 35.4400 24.3600 H 0 0 0 0 0 0 - 32.6800 34.4500 23.2000 H 0 0 0 0 0 0 - 34.2900 33.9800 23.7500 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1500 38.3500 27.5000 C 0 0 0 0 0 0 - 31.7100 39.1700 26.3300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0500 38.8900 27.2500 C 0 0 0 0 0 0 - 33.4900 38.0700 28.4200 C 0 0 0 0 0 0 - 31.0800 37.2700 27.2100 H 0 0 0 0 0 0 - 30.1100 38.6900 27.7400 H 0 0 0 0 0 0 - 31.6800 40.2500 26.5800 H 0 0 0 0 0 0 - 31.0600 39.0300 25.4200 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6500 H 0 0 0 0 0 0 - 35.0900 38.5500 27.0100 H 0 0 0 0 0 0 - 34.1100 39.9700 27.5400 H 0 0 0 0 0 0 - 33.5200 36.9900 28.1700 H 0 0 0 0 0 0 - 34.1300 38.2100 29.3300 H 0 0 0 0 0 0 - 32.0400 38.4900 28.7600 S 0 0 0 0 0 0 - 32.0600 39.9200 29.1400 O 0 0 0 0 0 0 - 31.5200 37.5600 29.7900 O 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.5000 17.4700 C 0 0 0 0 0 0 - 37.5200 36.5300 18.3300 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3900 36.6700 17.1600 C 0 0 0 0 0 0 - 35.9300 37.6400 16.3000 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1000 37.8300 17.5900 H 0 0 0 0 0 0 - 38.2700 36.0100 19.2900 F 0 0 0 0 0 0 - 34.3400 36.3500 17.0400 H 0 0 0 0 0 0 - 35.3000 38.0800 15.5000 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 37 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 34 1 0 0 0 - 21 22 1 0 0 0 - 21 27 1 0 0 0 - 21 28 1 0 0 0 - 22 23 1 0 0 0 - 22 29 1 0 0 0 - 23 24 1 0 0 0 - 23 30 1 0 0 0 - 23 31 1 0 0 0 - 24 32 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 34 35 2 0 0 0 - 34 36 2 0 0 0 - 37 41 1 0 0 0 - 38 39 1 0 0 0 - 38 43 2 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 39 45 1 0 0 0 - 40 41 1 0 0 0 - 40 46 1 0 0 0 - 41 42 2 0 0 0 - 42 43 1 0 0 0 - 42 47 1 0 0 0 - 43 48 1 0 0 0 -M END -> -8 - -> -lig_p38a_2gg.1 - -> -MX MODEL - -> -1 - -> -179.9 - -> -135.86 - -> -285.84 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2gg.pdb - -> -1 - -$$$$ -lig_p38a_2h - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4100 35.4700 24.3100 H 0 0 0 0 0 0 - 32.7600 34.3100 23.1500 H 0 0 0 0 0 0 - 34.3600 34.0900 23.8600 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1500 38.3500 27.5000 C 0 0 0 0 0 0 - 31.7100 39.1700 26.3300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0500 38.8900 27.2500 C 0 0 0 0 0 0 - 33.4900 38.0700 28.4200 C 0 0 0 0 0 0 - 32.0400 38.4900 28.7400 O 0 0 0 0 0 0 - 31.0800 37.2700 27.2100 H 0 0 0 0 0 0 - 30.1100 38.6900 27.7400 H 0 0 0 0 0 0 - 31.6800 40.2500 26.5800 H 0 0 0 0 0 0 - 31.0600 39.0300 25.4200 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6500 H 0 0 0 0 0 0 - 35.0900 38.5500 27.0100 H 0 0 0 0 0 0 - 34.1100 39.9700 27.5400 H 0 0 0 0 0 0 - 33.5200 36.9900 28.1700 H 0 0 0 0 0 0 - 34.1300 38.2100 29.3300 H 0 0 0 0 0 0 - 35.7900 35.0200 18.7200 S 0 0 0 0 0 0 - 37.5300 38.1500 15.9400 C 0 0 0 0 0 0 - 36.1700 37.7900 15.8400 C 0 0 0 0 0 0 - 35.6300 36.8200 16.7000 C 0 0 0 0 0 0 - 36.4500 36.2000 17.6600 C 0 0 0 0 0 0 - 37.8100 36.5500 17.7600 C 0 0 0 0 0 0 - 38.3500 37.5300 16.9000 C 0 0 0 0 0 0 - 37.9500 38.9100 15.2700 H 0 0 0 0 0 0 - 35.5300 38.2800 15.0900 H 0 0 0 0 0 0 - 34.5700 36.5500 16.6300 H 0 0 0 0 0 0 - 38.5800 35.9700 18.6700 F 0 0 0 0 0 0 - 39.4100 37.8000 16.9800 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 35 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -9 - -> -lig_p38a_2h.1 - -> -MX MODEL - -> -1 - -> -186.08 - -> -135.86 - -> -284.72 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2h.pdb - -> -1 - -$$$$ -lig_p38a_2i - 3D - Structure written by MMmdl. - 48 51 0 0 1 0 999 V2000 - 38.4300 36.3900 16.6800 C 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 37.7900 35.8500 17.8200 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 37.6800 36.7500 15.5500 C 0 0 0 0 0 0 - 36.2900 36.5500 15.5400 C 0 0 0 0 0 0 - 35.6500 35.9900 16.6600 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 36.4000 35.6600 17.8100 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 38.5100 35.5500 18.9000 F 0 0 0 0 0 0 - 35.6900 35.0000 18.9600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 39.5000 36.5400 16.6800 H 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.7100 36.8200 14.6700 H 0 0 0 0 0 0 - 34.5900 35.8100 16.6400 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4400 35.4700 24.3200 H 0 0 0 0 0 0 - 32.7400 34.3400 23.1600 H 0 0 0 0 0 0 - 34.3500 34.0600 23.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 38.1600 37.1900 14.6900 H 0 0 0 0 0 0 - 36.4300 34.2800 19.3100 H 0 0 0 0 0 0 - 34.8700 34.4700 18.4700 H 0 0 0 0 0 0 - 31.1500 38.3500 27.5000 C 0 0 0 0 0 0 - 31.7100 39.1700 26.3300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0500 38.8900 27.2500 C 0 0 0 0 0 0 - 33.4900 38.0700 28.4200 C 0 0 0 0 0 0 - 32.0400 38.4900 28.7400 O 0 0 0 0 0 0 - 31.0800 37.2700 27.2100 H 0 0 0 0 0 0 - 30.1100 38.6900 27.7400 H 0 0 0 0 0 0 - 31.6800 40.2500 26.5800 H 0 0 0 0 0 0 - 31.0600 39.0300 25.4200 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6500 H 0 0 0 0 0 0 - 35.0900 38.5500 27.0100 H 0 0 0 0 0 0 - 34.1100 39.9700 27.5400 H 0 0 0 0 0 0 - 33.5200 36.9900 28.1700 H 0 0 0 0 0 0 - 34.1300 38.2100 29.3300 H 0 0 0 0 0 0 - 1 3 1 0 0 0 - 1 7 2 0 0 0 - 1 22 1 0 0 0 - 2 12 1 0 0 0 - 2 18 2 0 0 0 - 2 19 1 0 0 0 - 3 13 2 0 0 0 - 3 15 1 0 0 0 - 4 17 1 0 0 0 - 4 20 2 0 0 0 - 4 21 1 0 0 0 - 5 6 1 0 0 0 - 5 10 2 0 0 0 - 5 11 1 0 0 0 - 6 12 2 0 0 0 - 6 23 1 0 0 0 - 7 8 1 0 0 0 - 7 31 1 0 0 0 - 8 9 2 0 0 0 - 8 24 1 0 0 0 - 9 13 1 0 0 0 - 9 25 1 0 0 0 - 10 19 1 0 0 0 - 10 20 1 0 0 0 - 11 17 2 0 0 0 - 11 26 1 0 0 0 - 12 16 1 0 0 0 - 13 16 1 0 0 0 - 14 19 1 0 0 0 - 14 27 1 0 0 0 - 14 28 1 0 0 0 - 14 29 1 0 0 0 - 16 32 1 0 0 0 - 16 33 1 0 0 0 - 21 30 1 0 0 0 - 21 36 1 0 0 0 - 34 35 1 0 0 0 - 34 39 1 0 0 0 - 34 40 1 0 0 0 - 34 41 1 0 0 0 - 35 36 1 0 0 0 - 35 42 1 0 0 0 - 35 43 1 0 0 0 - 36 37 1 0 0 0 - 36 44 1 0 0 0 - 37 38 1 0 0 0 - 37 45 1 0 0 0 - 37 46 1 0 0 0 - 38 39 1 0 0 0 - 38 47 1 0 0 0 - 38 48 1 0 0 0 -M END -> -10 - -> -lig_p38a_2i.1 - -> -MX MODEL - -> -1 - -> -187.84 - -> -135.86 - -> -293.16 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2i.pdb - -> -1 - -$$$$ -lig_p38a_2j - 3D - Structure written by MMmdl. - 48 51 0 0 1 0 999 V2000 - 38.4400 36.3400 16.6500 C 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 37.8000 35.8000 17.7900 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 36.2700 36.6100 15.5600 C 0 0 0 0 0 0 - 35.6400 36.0500 16.6900 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 36.4000 35.6600 17.8100 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 38.5300 35.4400 18.8400 F 0 0 0 0 0 0 - 35.6900 35.0000 18.9600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 39.5100 36.4500 16.6300 H 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.6800 36.9200 14.7100 H 0 0 0 0 0 0 - 34.5700 35.9100 16.6900 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4400 35.4700 24.3200 H 0 0 0 0 0 0 - 32.7400 34.3400 23.1600 H 0 0 0 0 0 0 - 34.3500 34.0600 23.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 36.4300 34.2800 19.3100 H 0 0 0 0 0 0 - 34.8700 34.4700 18.4700 H 0 0 0 0 0 0 - 37.7000 36.7900 15.4900 C 0 0 0 0 0 0 - 38.3000 37.3200 14.4300 F 0 0 0 0 0 0 - 31.1300 38.3300 27.4800 C 0 0 0 0 0 0 - 31.7000 39.1500 26.3100 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0300 38.9100 27.2600 C 0 0 0 0 0 0 - 33.4700 38.1000 28.4300 C 0 0 0 0 0 0 - 32.0100 38.4900 28.7300 O 0 0 0 0 0 0 - 31.6500 40.2300 26.5500 H 0 0 0 0 0 0 - 31.0600 38.9900 25.4000 H 0 0 0 0 0 0 - 33.1900 37.6900 25.6600 H 0 0 0 0 0 0 - 35.0800 38.5900 27.0300 H 0 0 0 0 0 0 - 34.0800 39.9900 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0100 28.1900 H 0 0 0 0 0 0 - 34.1000 38.2500 29.3400 H 0 0 0 0 0 0 - 31.0900 37.2800 27.2000 H 0 0 0 0 0 0 - 30.1200 38.6600 27.7000 H 0 0 0 0 0 0 - 1 3 1 0 0 0 - 1 21 1 0 0 0 - 1 32 2 0 0 0 - 2 11 1 0 0 0 - 2 17 2 0 0 0 - 2 18 1 0 0 0 - 3 12 2 0 0 0 - 3 14 1 0 0 0 - 4 16 1 0 0 0 - 4 19 2 0 0 0 - 4 20 1 0 0 0 - 5 6 1 0 0 0 - 5 9 2 0 0 0 - 5 10 1 0 0 0 - 6 11 2 0 0 0 - 6 22 1 0 0 0 - 7 8 2 0 0 0 - 7 23 1 0 0 0 - 7 32 1 0 0 0 - 8 12 1 0 0 0 - 8 24 1 0 0 0 - 9 18 1 0 0 0 - 9 19 1 0 0 0 - 10 16 2 0 0 0 - 10 25 1 0 0 0 - 11 15 1 0 0 0 - 12 15 1 0 0 0 - 13 18 1 0 0 0 - 13 26 1 0 0 0 - 13 27 1 0 0 0 - 13 28 1 0 0 0 - 15 30 1 0 0 0 - 15 31 1 0 0 0 - 20 29 1 0 0 0 - 20 36 1 0 0 0 - 32 33 1 0 0 0 - 34 35 1 0 0 0 - 34 39 1 0 0 0 - 34 47 1 0 0 0 - 34 48 1 0 0 0 - 35 36 1 0 0 0 - 35 40 1 0 0 0 - 35 41 1 0 0 0 - 36 37 1 0 0 0 - 36 42 1 0 0 0 - 37 38 1 0 0 0 - 37 43 1 0 0 0 - 37 44 1 0 0 0 - 38 39 1 0 0 0 - 38 45 1 0 0 0 - 38 46 1 0 0 0 -M END -> -11 - -> -lig_p38a_2j.1 - -> -MX MODEL - -> -1 - -> -187.72 - -> -135.86 - -> -298.32 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2j.pdb - -> -1 - -$$$$ -lig_p38a_2k - 3D - Structure written by MMmdl. - 43 46 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.8400 35.0800 23.1100 H 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1200 38.3100 27.4600 C 0 0 0 0 0 0 - 31.6800 39.1200 26.2900 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0100 38.9400 27.2700 C 0 0 0 0 0 0 - 33.4500 38.1200 28.4400 C 0 0 0 0 0 0 - 31.9900 38.4900 28.7200 O 0 0 0 0 0 0 - 31.1000 37.2300 27.1800 H 0 0 0 0 0 0 - 30.0700 38.6200 27.6700 H 0 0 0 0 0 0 - 31.6200 40.2100 26.5200 H 0 0 0 0 0 0 - 31.0700 38.9500 25.3700 H 0 0 0 0 0 0 - 33.2100 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0700 38.6300 27.0600 H 0 0 0 0 0 0 - 34.0400 40.0200 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0300 28.2000 H 0 0 0 0 0 0 - 34.0700 38.2900 29.3600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0800 37.4500 17.4200 C 0 0 0 0 0 0 - 37.5400 36.4800 18.2800 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7300 17.2100 C 0 0 0 0 0 0 - 35.9100 37.7000 16.3500 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1400 37.7300 17.5000 H 0 0 0 0 0 0 - 38.3100 35.9000 19.2000 F 0 0 0 0 0 0 - 34.3100 36.4400 17.1200 H 0 0 0 0 0 0 - 35.2700 38.1800 15.5900 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 32 1 0 0 0 - 8 11 1 0 0 0 - 13 16 1 0 0 0 - 13 19 1 0 0 0 - 17 18 1 0 0 0 - 17 22 1 0 0 0 - 17 23 1 0 0 0 - 17 24 1 0 0 0 - 18 19 1 0 0 0 - 18 25 1 0 0 0 - 18 26 1 0 0 0 - 19 20 1 0 0 0 - 19 27 1 0 0 0 - 20 21 1 0 0 0 - 20 28 1 0 0 0 - 20 29 1 0 0 0 - 21 22 1 0 0 0 - 21 30 1 0 0 0 - 21 31 1 0 0 0 - 32 36 1 0 0 0 - 33 34 1 0 0 0 - 33 38 2 0 0 0 - 33 39 1 0 0 0 - 34 35 2 0 0 0 - 34 40 1 0 0 0 - 35 36 1 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 37 38 1 0 0 0 - 37 42 1 0 0 0 - 38 43 1 0 0 0 -M END -> -12 - -> -lig_p38a_2k.1 - -> -MX MODEL - -> -1 - -> -181.38 - -> -135.86 - -> -275.42 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2k.pdb - -> -1 - -$$$$ -lig_p38a_2l - 3D - Structure written by MMmdl. - 49 52 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 0 0 0 0 - 34.9100 33.1100 23.0100 H 0 0 0 0 0 0 - 35.6400 34.3000 24.1900 H 0 0 0 0 0 0 - 34.2800 33.1900 24.7200 H 0 0 0 0 0 0 - 31.1300 38.3300 27.4800 C 0 0 0 0 0 0 - 31.7000 39.1500 26.3100 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0300 38.9100 27.2600 C 0 0 0 0 0 0 - 33.4700 38.1000 28.4300 C 0 0 0 0 0 0 - 32.0100 38.4900 28.7300 O 0 0 0 0 0 0 - 31.0900 37.2500 27.2000 H 0 0 0 0 0 0 - 30.0900 38.6500 27.7100 H 0 0 0 0 0 0 - 31.6500 40.2300 26.5500 H 0 0 0 0 0 0 - 31.0600 38.9900 25.4000 H 0 0 0 0 0 0 - 33.1900 37.6900 25.6600 H 0 0 0 0 0 0 - 35.0800 38.5900 27.0300 H 0 0 0 0 0 0 - 34.0800 39.9900 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0100 28.1900 H 0 0 0 0 0 0 - 34.1000 38.2500 29.3400 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4600 17.4300 C 0 0 0 0 0 0 - 37.5300 36.4900 18.2900 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7200 17.2000 C 0 0 0 0 0 0 - 35.9100 37.6900 16.3400 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7500 17.5200 H 0 0 0 0 0 0 - 38.3100 35.9200 19.2100 F 0 0 0 0 0 0 - 34.3100 36.4300 17.1100 H 0 0 0 0 0 0 - 35.2700 38.1600 15.5700 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 38 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 25 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 21 1 0 0 0 - 19 22 1 0 0 0 - 23 24 1 0 0 0 - 23 28 1 0 0 0 - 23 29 1 0 0 0 - 23 30 1 0 0 0 - 24 25 1 0 0 0 - 24 31 1 0 0 0 - 24 32 1 0 0 0 - 25 26 1 0 0 0 - 25 33 1 0 0 0 - 26 27 1 0 0 0 - 26 34 1 0 0 0 - 26 35 1 0 0 0 - 27 28 1 0 0 0 - 27 36 1 0 0 0 - 27 37 1 0 0 0 - 38 42 1 0 0 0 - 39 40 1 0 0 0 - 39 44 2 0 0 0 - 39 45 1 0 0 0 - 40 41 2 0 0 0 - 40 46 1 0 0 0 - 41 42 1 0 0 0 - 41 47 1 0 0 0 - 42 43 2 0 0 0 - 43 44 1 0 0 0 - 43 48 1 0 0 0 - 44 49 1 0 0 0 -M END -> -13 - -> -lig_p38a_2l.1 - -> -MX MODEL - -> -1 - -> -180.9 - -> -149.14 - -> -275.42 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2l.pdb - -> -1 - -$$$$ -lig_p38a_2m - 3D - Structure written by MMmdl. - 50 54 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 34.1500 33.4200 23.5400 C 0 0 0 0 0 0 - 32.7500 33.7200 23.0700 C 0 0 0 0 0 0 - 33.4600 35.3500 24.4100 H 0 0 0 0 0 0 - 34.8700 33.0900 22.7500 H 0 0 0 0 0 0 - 34.2400 33.0000 24.5700 H 0 0 0 0 0 0 - 32.5600 33.5900 21.9800 H 0 0 0 0 0 0 - 31.9300 33.5000 23.8000 H 0 0 0 0 0 0 - 31.1300 38.3200 27.4700 C 0 0 0 0 0 0 - 31.6900 39.1300 26.3000 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0200 38.9200 27.2600 C 0 0 0 0 0 0 - 33.4600 38.1100 28.4400 C 0 0 0 0 0 0 - 32.0000 38.4900 28.7300 O 0 0 0 0 0 0 - 31.0900 37.2400 27.1900 H 0 0 0 0 0 0 - 30.0800 38.6300 27.6900 H 0 0 0 0 0 0 - 31.6300 40.2200 26.5400 H 0 0 0 0 0 0 - 31.0700 38.9700 25.3800 H 0 0 0 0 0 0 - 33.2000 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0700 38.6100 27.0400 H 0 0 0 0 0 0 - 34.0600 40.0000 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0200 28.1900 H 0 0 0 0 0 0 - 34.0900 38.2700 29.3500 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4700 17.4400 C 0 0 0 0 0 0 - 37.5300 36.4900 18.3000 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.7100 17.1900 C 0 0 0 0 0 0 - 35.9100 37.6800 16.3300 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7600 17.5300 H 0 0 0 0 0 0 - 38.3000 35.9300 19.2300 F 0 0 0 0 0 0 - 34.3200 36.4100 17.0900 H 0 0 0 0 0 0 - 35.2800 38.1400 15.5600 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 39 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 26 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 17 18 1 0 0 0 - 17 20 1 0 0 0 - 17 21 1 0 0 0 - 18 22 1 0 0 0 - 18 23 1 0 0 0 - 24 25 1 0 0 0 - 24 29 1 0 0 0 - 24 30 1 0 0 0 - 24 31 1 0 0 0 - 25 26 1 0 0 0 - 25 32 1 0 0 0 - 25 33 1 0 0 0 - 26 27 1 0 0 0 - 26 34 1 0 0 0 - 27 28 1 0 0 0 - 27 35 1 0 0 0 - 27 36 1 0 0 0 - 28 29 1 0 0 0 - 28 37 1 0 0 0 - 28 38 1 0 0 0 - 39 43 1 0 0 0 - 40 41 1 0 0 0 - 40 45 2 0 0 0 - 40 46 1 0 0 0 - 41 42 2 0 0 0 - 41 47 1 0 0 0 - 42 43 1 0 0 0 - 42 48 1 0 0 0 - 43 44 2 0 0 0 - 44 45 1 0 0 0 - 44 49 1 0 0 0 - 45 50 1 0 0 0 -M END -> -14 - -> -lig_p38a_2m.1 - -> -MX MODEL - -> -1 - -> -180.98 - -> -151.4 - -> -275.86 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2m.pdb - -> -1 - -$$$$ -lig_p38a_2n - 3D - Structure written by MMmdl. - 53 56 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 0 0 0 0 - 34.9100 33.1100 23.0100 H 0 0 0 0 0 0 - 35.6400 34.3000 24.1900 H 0 0 0 0 0 0 - 34.1300 32.9800 25.0300 C 0 0 0 0 0 0 - 34.6200 31.9700 25.0500 H 0 0 0 0 0 0 - 34.3400 33.5100 25.9900 H 0 0 0 0 0 0 - 32.7400 32.8300 24.8700 O 0 0 0 0 0 0 - 32.5800 31.8800 24.8600 H 0 0 0 0 0 0 - 31.1100 38.2800 27.4300 C 0 0 0 0 0 0 - 31.6700 39.0900 26.2600 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 33.9900 38.9700 27.2800 C 0 0 0 0 0 0 - 33.4200 38.1500 28.4500 C 0 0 0 0 0 0 - 31.9500 38.4900 28.7000 O 0 0 0 0 0 0 - 31.1100 37.1900 27.1600 H 0 0 0 0 0 0 - 30.0500 38.5600 27.6200 H 0 0 0 0 0 0 - 31.5800 40.1800 26.4800 H 0 0 0 0 0 0 - 31.0700 38.9000 25.3300 H 0 0 0 0 0 0 - 33.2400 37.6900 25.6800 H 0 0 0 0 0 0 - 35.0500 38.6800 27.0900 H 0 0 0 0 0 0 - 33.9800 40.0500 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0600 28.2300 H 0 0 0 0 0 0 - 34.0200 38.3500 29.3800 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 35.9200 37.6700 16.3200 C 0 0 0 0 0 0 - 35.3800 36.7000 17.1800 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 37.5300 36.5000 18.3000 C 0 0 0 0 0 0 - 38.0700 37.4800 17.4400 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 35.2800 38.1300 15.5400 H 0 0 0 0 0 0 - 34.3200 36.4000 17.0800 H 0 0 0 0 0 0 - 38.2900 35.9500 19.2500 F 0 0 0 0 0 0 - 39.1200 37.7800 17.5500 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 42 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 29 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 21 1 0 0 0 - 19 22 1 0 0 0 - 22 23 1 0 0 0 - 22 24 1 0 0 0 - 22 25 1 0 0 0 - 25 26 1 0 0 0 - 27 28 1 0 0 0 - 27 32 1 0 0 0 - 27 33 1 0 0 0 - 27 34 1 0 0 0 - 28 29 1 0 0 0 - 28 35 1 0 0 0 - 28 36 1 0 0 0 - 29 30 1 0 0 0 - 29 37 1 0 0 0 - 30 31 1 0 0 0 - 30 38 1 0 0 0 - 30 39 1 0 0 0 - 31 32 1 0 0 0 - 31 40 1 0 0 0 - 31 41 1 0 0 0 - 42 46 1 0 0 0 - 43 44 1 0 0 0 - 43 48 2 0 0 0 - 43 49 1 0 0 0 - 44 45 2 0 0 0 - 44 50 1 0 0 0 - 45 46 1 0 0 0 - 45 51 1 0 0 0 - 46 47 2 0 0 0 - 47 48 1 0 0 0 - 47 52 1 0 0 0 - 48 53 1 0 0 0 -M END -> -15 - -> -lig_p38a_2n.1 - -> -MX MODEL - -> -1 - -> -181.54 - -> -173.7 - -> -276.72 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2n.pdb - -> -1 - -$$$$ -lig_p38a_2o - 3D - Structure written by MMmdl. - 55 58 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 0 0 0 0 - 34.9100 33.1100 23.0100 H 0 0 0 0 0 0 - 35.6400 34.3000 24.1900 H 0 0 0 0 0 0 - 34.1500 32.9900 25.0100 S 0 0 0 0 0 0 - 33.8700 33.9200 26.1300 O 0 0 0 0 0 0 - 35.0900 31.8800 25.3000 O 0 0 0 0 0 0 - 32.8400 32.4000 24.5600 C 0 0 0 0 0 0 - 33.0300 31.6900 23.7200 H 0 0 0 0 0 0 - 32.3800 31.8400 25.4200 H 0 0 0 0 0 0 - 32.1500 33.2100 24.2300 H 0 0 0 0 0 0 - 31.1500 38.3500 27.5000 C 0 0 0 0 0 0 - 31.7100 39.1700 26.3300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0500 38.8900 27.2500 C 0 0 0 0 0 0 - 33.4900 38.0700 28.4200 C 0 0 0 0 0 0 - 32.0400 38.4900 28.7400 O 0 0 0 0 0 0 - 31.0800 37.2700 27.2100 H 0 0 0 0 0 0 - 30.1100 38.6900 27.7400 H 0 0 0 0 0 0 - 31.6800 40.2500 26.5800 H 0 0 0 0 0 0 - 31.0600 39.0300 25.4200 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6500 H 0 0 0 0 0 0 - 35.0900 38.5500 27.0100 H 0 0 0 0 0 0 - 34.1100 39.9700 27.5400 H 0 0 0 0 0 0 - 33.5200 36.9900 28.1700 H 0 0 0 0 0 0 - 34.1300 38.2100 29.3300 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.4800 17.4500 C 0 0 0 0 0 0 - 37.5200 36.5100 18.3100 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.6900 17.1700 C 0 0 0 0 0 0 - 35.9200 37.6600 16.3100 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.8000 17.5600 H 0 0 0 0 0 0 - 38.2900 35.9700 19.2600 F 0 0 0 0 0 0 - 34.3300 36.3800 17.0600 H 0 0 0 0 0 0 - 35.2900 38.1100 15.5300 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 44 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 31 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 21 1 0 0 0 - 19 22 1 0 0 0 - 22 23 2 0 0 0 - 22 24 2 0 0 0 - 22 25 1 0 0 0 - 25 26 1 0 0 0 - 25 27 1 0 0 0 - 25 28 1 0 0 0 - 29 30 1 0 0 0 - 29 34 1 0 0 0 - 29 35 1 0 0 0 - 29 36 1 0 0 0 - 30 31 1 0 0 0 - 30 37 1 0 0 0 - 30 38 1 0 0 0 - 31 32 1 0 0 0 - 31 39 1 0 0 0 - 32 33 1 0 0 0 - 32 40 1 0 0 0 - 32 41 1 0 0 0 - 33 34 1 0 0 0 - 33 42 1 0 0 0 - 33 43 1 0 0 0 - 44 48 1 0 0 0 - 45 46 1 0 0 0 - 45 50 2 0 0 0 - 45 51 1 0 0 0 - 46 47 2 0 0 0 - 46 52 1 0 0 0 - 47 48 1 0 0 0 - 47 53 1 0 0 0 - 48 49 2 0 0 0 - 49 50 1 0 0 0 - 49 54 1 0 0 0 - 50 55 1 0 0 0 -M END -> -16 - -> -lig_p38a_2o.1 - -> -MX MODEL - -> -1 - -> -180.16 - -> -177.56 - -> -276 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2o.pdb - -> -1 - -$$$$ -lig_p38a_2p - 3D - Structure written by MMmdl. - 58 61 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 0 0 0 0 - 34.9100 33.1100 23.0100 H 0 0 0 0 0 0 - 35.6400 34.3000 24.1900 H 0 0 0 0 0 0 - 34.1300 32.9800 25.0300 C 0 0 0 0 0 0 - 33.9200 33.6600 25.8900 H 0 0 0 0 0 0 - 34.8800 32.2100 25.3400 H 0 0 0 0 0 0 - 32.8700 32.3000 24.6000 S 0 0 0 0 0 0 - 33.1900 31.4100 23.4600 O 0 0 0 0 0 0 - 31.8500 33.3400 24.3400 O 0 0 0 0 0 0 - 32.3900 31.4500 25.7400 C 0 0 0 0 0 0 - 32.1400 32.1000 26.6100 H 0 0 0 0 0 0 - 31.4800 30.8900 25.4200 H 0 0 0 0 0 0 - 33.1900 30.7300 26.0300 H 0 0 0 0 0 0 - 31.1200 38.3100 27.4600 C 0 0 0 0 0 0 - 31.6800 39.1200 26.2900 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0100 38.9400 27.2700 C 0 0 0 0 0 0 - 33.4500 38.1200 28.4400 C 0 0 0 0 0 0 - 31.9900 38.4900 28.7200 O 0 0 0 0 0 0 - 31.1000 37.2300 27.1800 H 0 0 0 0 0 0 - 30.0700 38.6200 27.6700 H 0 0 0 0 0 0 - 31.6200 40.2100 26.5200 H 0 0 0 0 0 0 - 31.0700 38.9500 25.3700 H 0 0 0 0 0 0 - 33.2100 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0700 38.6300 27.0600 H 0 0 0 0 0 0 - 34.0400 40.0200 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0300 28.2000 H 0 0 0 0 0 0 - 34.0700 38.2900 29.3600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0500 37.5200 17.4800 C 0 0 0 0 0 0 - 37.5100 36.5500 18.3500 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.4000 36.6500 17.1400 C 0 0 0 0 0 0 - 35.9400 37.6200 16.2800 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.0900 37.8600 17.6200 H 0 0 0 0 0 0 - 38.2600 36.0400 19.3200 F 0 0 0 0 0 0 - 34.3600 36.3100 17.0100 H 0 0 0 0 0 0 - 35.3200 38.0500 15.4700 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 47 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 34 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 21 1 0 0 0 - 19 22 1 0 0 0 - 22 23 1 0 0 0 - 22 24 1 0 0 0 - 22 25 1 0 0 0 - 25 26 2 0 0 0 - 25 27 2 0 0 0 - 25 28 1 0 0 0 - 28 29 1 0 0 0 - 28 30 1 0 0 0 - 28 31 1 0 0 0 - 32 33 1 0 0 0 - 32 37 1 0 0 0 - 32 38 1 0 0 0 - 32 39 1 0 0 0 - 33 34 1 0 0 0 - 33 40 1 0 0 0 - 33 41 1 0 0 0 - 34 35 1 0 0 0 - 34 42 1 0 0 0 - 35 36 1 0 0 0 - 35 43 1 0 0 0 - 35 44 1 0 0 0 - 36 37 1 0 0 0 - 36 45 1 0 0 0 - 36 46 1 0 0 0 - 47 51 1 0 0 0 - 48 49 1 0 0 0 - 48 53 2 0 0 0 - 48 54 1 0 0 0 - 49 50 2 0 0 0 - 49 55 1 0 0 0 - 50 51 1 0 0 0 - 50 56 1 0 0 0 - 51 52 2 0 0 0 - 52 53 1 0 0 0 - 52 57 1 0 0 0 - 53 58 1 0 0 0 -M END -> -17 - -> -lig_p38a_2p.1 - -> -MX MODEL - -> -1 - -> -180.36 - -> -196.82 - -> -277.74 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2p.pdb - -> -1 - -$$$$ -lig_p38a_2q - 3D - Structure written by MMmdl. - 59 63 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.9900 33.2000 24.2700 C 0 0 0 0 0 0 - 32.5400 33.9800 23.0600 C 0 0 0 0 0 0 - 33.7300 34.8600 23.4800 C 0 0 0 0 0 0 - 33.3500 35.8100 24.6200 C 0 0 0 0 0 0 - 32.7900 35.0300 25.8200 C 0 0 0 0 0 0 - 32.7600 32.4800 24.6300 H 0 0 0 0 0 0 - 31.1000 32.6000 23.9500 H 0 0 0 0 0 0 - 31.7400 34.6300 22.6400 H 0 0 0 0 0 0 - 32.8500 33.2700 22.2600 H 0 0 0 0 0 0 - 34.5800 34.2000 23.8100 H 0 0 0 0 0 0 - 34.2400 36.4100 24.9400 H 0 0 0 0 0 0 - 32.5800 36.5300 24.2600 H 0 0 0 0 0 0 - 33.6000 34.3800 26.2500 H 0 0 0 0 0 0 - 32.4800 35.7400 26.6300 H 0 0 0 0 0 0 - 31.5800 34.1600 25.4200 S 0 0 0 0 0 0 - 30.5200 35.0600 24.9100 O 0 0 0 0 0 0 - 31.2100 33.3200 26.5800 O 0 0 0 0 0 0 - 31.1300 38.3300 27.4800 C 0 0 0 0 0 0 - 31.7000 39.1500 26.3100 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0300 38.9100 27.2600 C 0 0 0 0 0 0 - 33.4700 38.1000 28.4300 C 0 0 0 0 0 0 - 32.0100 38.4900 28.7300 O 0 0 0 0 0 0 - 31.0900 37.2500 27.2000 H 0 0 0 0 0 0 - 30.0900 38.6500 27.7100 H 0 0 0 0 0 0 - 31.6500 40.2300 26.5500 H 0 0 0 0 0 0 - 31.0600 38.9900 25.4000 H 0 0 0 0 0 0 - 33.1900 37.6900 25.6600 H 0 0 0 0 0 0 - 35.0800 38.5900 27.0300 H 0 0 0 0 0 0 - 34.0800 39.9900 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0100 28.1900 H 0 0 0 0 0 0 - 34.1000 38.2500 29.3400 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.4800 17.4500 C 0 0 0 0 0 0 - 37.5200 36.5100 18.3100 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.6900 17.1700 C 0 0 0 0 0 0 - 35.9200 37.6600 16.3100 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.8000 17.5600 H 0 0 0 0 0 0 - 38.2900 35.9700 19.2600 F 0 0 0 0 0 0 - 34.3300 36.3800 17.0600 H 0 0 0 0 0 0 - 35.2900 38.1100 15.5300 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 48 1 0 0 0 - 10 18 1 0 0 0 - 12 15 1 0 0 0 - 12 35 1 0 0 0 - 16 17 1 0 0 0 - 16 21 1 0 0 0 - 16 22 1 0 0 0 - 16 30 1 0 0 0 - 17 18 1 0 0 0 - 17 23 1 0 0 0 - 17 24 1 0 0 0 - 18 19 1 0 0 0 - 18 25 1 0 0 0 - 19 20 1 0 0 0 - 19 26 1 0 0 0 - 19 27 1 0 0 0 - 20 28 1 0 0 0 - 20 29 1 0 0 0 - 20 30 1 0 0 0 - 30 31 2 0 0 0 - 30 32 2 0 0 0 - 33 34 1 0 0 0 - 33 38 1 0 0 0 - 33 39 1 0 0 0 - 33 40 1 0 0 0 - 34 35 1 0 0 0 - 34 41 1 0 0 0 - 34 42 1 0 0 0 - 35 36 1 0 0 0 - 35 43 1 0 0 0 - 36 37 1 0 0 0 - 36 44 1 0 0 0 - 36 45 1 0 0 0 - 37 38 1 0 0 0 - 37 46 1 0 0 0 - 37 47 1 0 0 0 - 48 52 1 0 0 0 - 49 50 1 0 0 0 - 49 54 2 0 0 0 - 49 55 1 0 0 0 - 50 51 2 0 0 0 - 50 56 1 0 0 0 - 51 52 1 0 0 0 - 51 57 1 0 0 0 - 52 53 2 0 0 0 - 53 54 1 0 0 0 - 53 58 1 0 0 0 - 54 59 1 0 0 0 -M END -> -18 - -> -lig_p38a_2q.1 - -> -MX MODEL - -> -1 - -> -180.54 - -> -161.78 - -> -276.3 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2q.pdb - -> -1 - -$$$$ -lig_p38a_2r - 3D - Structure written by MMmdl. - 56 59 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 0 0 0 0 - 34.9700 32.9400 22.7800 O 0 0 0 0 0 0 - 34.1300 32.5300 22.5500 H 0 0 0 0 0 0 - 34.1300 32.9800 25.0300 C 0 0 0 0 0 0 - 33.1200 32.5900 24.7600 H 0 0 0 0 0 0 - 34.8200 32.1200 25.2500 H 0 0 0 0 0 0 - 34.0500 33.6300 25.9400 H 0 0 0 0 0 0 - 35.9900 34.4800 24.3100 C 0 0 0 0 0 0 - 36.7400 33.7100 24.6200 H 0 0 0 0 0 0 - 36.4000 35.0800 23.4600 H 0 0 0 0 0 0 - 35.7700 35.1600 25.1700 H 0 0 0 0 0 0 - 31.1400 38.3400 27.4900 C 0 0 0 0 0 0 - 31.7000 39.1600 26.3200 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0400 38.9000 27.2500 C 0 0 0 0 0 0 - 33.4800 38.0800 28.4300 C 0 0 0 0 0 0 - 32.0300 38.4900 28.7400 O 0 0 0 0 0 0 - 31.0800 37.2600 27.2000 H 0 0 0 0 0 0 - 30.1000 38.6700 27.7200 H 0 0 0 0 0 0 - 31.6600 40.2400 26.5700 H 0 0 0 0 0 0 - 31.0600 39.0100 25.4100 H 0 0 0 0 0 0 - 33.1700 37.6900 25.6600 H 0 0 0 0 0 0 - 35.0800 38.5700 27.0200 H 0 0 0 0 0 0 - 34.1000 39.9800 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0000 28.1800 H 0 0 0 0 0 0 - 34.1200 38.2300 29.3300 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.4900 17.4600 C 0 0 0 0 0 0 - 37.5200 36.5200 18.3200 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3900 36.6800 17.1600 C 0 0 0 0 0 0 - 35.9200 37.6500 16.3000 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1100 37.8100 17.5800 H 0 0 0 0 0 0 - 38.2800 35.9900 19.2800 F 0 0 0 0 0 0 - 34.3400 36.3600 17.0500 H 0 0 0 0 0 0 - 35.3000 38.0900 15.5100 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 45 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 32 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 22 1 0 0 0 - 19 26 1 0 0 0 - 20 21 1 0 0 0 - 22 23 1 0 0 0 - 22 24 1 0 0 0 - 22 25 1 0 0 0 - 26 27 1 0 0 0 - 26 28 1 0 0 0 - 26 29 1 0 0 0 - 30 31 1 0 0 0 - 30 35 1 0 0 0 - 30 36 1 0 0 0 - 30 37 1 0 0 0 - 31 32 1 0 0 0 - 31 38 1 0 0 0 - 31 39 1 0 0 0 - 32 33 1 0 0 0 - 32 40 1 0 0 0 - 33 34 1 0 0 0 - 33 41 1 0 0 0 - 33 42 1 0 0 0 - 34 35 1 0 0 0 - 34 43 1 0 0 0 - 34 44 1 0 0 0 - 45 49 1 0 0 0 - 46 47 1 0 0 0 - 46 51 2 0 0 0 - 46 52 1 0 0 0 - 47 48 2 0 0 0 - 47 53 1 0 0 0 - 48 49 1 0 0 0 - 48 54 1 0 0 0 - 49 50 2 0 0 0 - 50 51 1 0 0 0 - 50 55 1 0 0 0 - 51 56 1 0 0 0 -M END -> -19 - -> -lig_p38a_2r.1 - -> -MX MODEL - -> -1 - -> -180.24 - -> -169.02 - -> -276.46 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2r.pdb - -> -1 - -$$$$ -lig_p38a_2s - 3D - Structure written by MMmdl. - 54 57 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 33.4600 35.5200 24.3100 H 0 0 0 0 0 0 - 32.7300 34.3400 23.1200 H 0 0 0 0 0 0 - 34.7000 33.7900 23.8700 C 0 0 2 0 0 0 - 34.9700 32.9400 22.7800 O 0 0 0 0 0 0 - 34.1300 32.5300 22.5500 H 0 0 0 0 0 0 - 34.1300 32.9800 25.0300 C 0 0 0 0 0 0 - 34.3600 33.5000 25.9900 H 0 0 0 0 0 0 - 34.6000 31.9600 25.0300 H 0 0 0 0 0 0 - 35.6200 34.2800 24.1800 H 0 0 0 0 0 0 - 32.7400 32.8500 24.8800 O 0 0 0 0 0 0 - 32.6000 32.4000 24.0500 H 0 0 0 0 0 0 - 31.1200 38.3100 27.4600 C 0 0 0 0 0 0 - 31.6800 39.1200 26.2900 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0100 38.9400 27.2700 C 0 0 0 0 0 0 - 33.4500 38.1200 28.4400 C 0 0 0 0 0 0 - 31.9900 38.4900 28.7200 O 0 0 0 0 0 0 - 31.1000 37.2300 27.1800 H 0 0 0 0 0 0 - 30.0700 38.6200 27.6700 H 0 0 0 0 0 0 - 31.6200 40.2100 26.5200 H 0 0 0 0 0 0 - 31.0700 38.9500 25.3700 H 0 0 0 0 0 0 - 33.2100 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0700 38.6300 27.0600 H 0 0 0 0 0 0 - 34.0400 40.0200 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0300 28.2000 H 0 0 0 0 0 0 - 34.0700 38.2900 29.3600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 35.9100 37.7000 16.3500 C 0 0 0 0 0 0 - 35.3700 36.7300 17.2100 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 37.5400 36.4800 18.2800 C 0 0 0 0 0 0 - 38.0800 37.4500 17.4200 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 35.2700 38.1800 15.5900 H 0 0 0 0 0 0 - 34.3100 36.4400 17.1200 H 0 0 0 0 0 0 - 38.3100 35.9000 19.2000 F 0 0 0 0 0 0 - 39.1400 37.7300 17.5000 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 43 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 30 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 19 1 0 0 0 - 19 20 1 0 0 0 - 19 22 1 0 0 0 - 19 25 1 0 0 0 - 20 21 1 0 0 0 - 22 23 1 0 0 0 - 22 24 1 0 0 0 - 22 26 1 0 0 0 - 26 27 1 0 0 0 - 28 29 1 0 0 0 - 28 33 1 0 0 0 - 28 34 1 0 0 0 - 28 35 1 0 0 0 - 29 30 1 0 0 0 - 29 36 1 0 0 0 - 29 37 1 0 0 0 - 30 31 1 0 0 0 - 30 38 1 0 0 0 - 31 32 1 0 0 0 - 31 39 1 0 0 0 - 31 40 1 0 0 0 - 32 33 1 0 0 0 - 32 41 1 0 0 0 - 32 42 1 0 0 0 - 43 47 1 0 0 0 - 44 45 1 0 0 0 - 44 49 2 0 0 0 - 44 50 1 0 0 0 - 45 46 2 0 0 0 - 45 51 1 0 0 0 - 46 47 1 0 0 0 - 46 52 1 0 0 0 - 47 48 2 0 0 0 - 48 49 1 0 0 0 - 48 53 1 0 0 0 - 49 54 1 0 0 0 -M END -> -20 - -> -lig_p38a_2s.1 - -> -MX MODEL - -> -1 - -> -181.38 - -> -172.16 - -> -275.42 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2s.pdb - -> -1 - -$$$$ -lig_p38a_2t - 3D - Structure written by MMmdl. - 47 50 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.6800 34.8400 23.4400 C 0 0 0 0 0 0 - 34.1500 35.1800 24.4000 H 0 0 0 0 0 0 - 32.1500 35.0500 23.5300 C 0 0 0 0 0 0 - 31.1200 38.3100 27.4600 C 0 0 0 0 0 0 - 31.6800 39.1200 26.2900 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 34.0100 38.9400 27.2700 C 0 0 0 0 0 0 - 33.4500 38.1200 28.4400 C 0 0 0 0 0 0 - 31.9900 38.4900 28.7200 O 0 0 0 0 0 0 - 31.1000 37.2300 27.1800 H 0 0 0 0 0 0 - 30.0700 38.6200 27.6700 H 0 0 0 0 0 0 - 31.6200 40.2100 26.5200 H 0 0 0 0 0 0 - 31.0700 38.9500 25.3700 H 0 0 0 0 0 0 - 33.2100 37.6900 25.6700 H 0 0 0 0 0 0 - 35.0700 38.6300 27.0600 H 0 0 0 0 0 0 - 34.0400 40.0200 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0300 28.2000 H 0 0 0 0 0 0 - 34.0700 38.2900 29.3600 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4700 17.4400 C 0 0 0 0 0 0 - 37.5300 36.5000 18.3000 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.7000 17.1800 C 0 0 0 0 0 0 - 35.9200 37.6700 16.3200 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.7800 17.5500 H 0 0 0 0 0 0 - 38.2900 35.9500 19.2500 F 0 0 0 0 0 0 - 34.3200 36.4000 17.0800 H 0 0 0 0 0 0 - 35.2800 38.1300 15.5400 H 0 0 0 0 0 0 - 33.8900 33.7900 23.2800 H 0 0 0 0 0 0 - 30.7000 35.2500 23.6100 N 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 34 1 0 0 0 - 10 16 1 0 0 0 - 12 15 1 0 0 0 - 12 21 1 0 0 0 - 16 17 1 0 0 0 - 16 18 1 0 0 0 - 16 46 1 0 0 0 - 18 47 3 0 0 0 - 19 20 1 0 0 0 - 19 24 1 0 0 0 - 19 25 1 0 0 0 - 19 26 1 0 0 0 - 20 21 1 0 0 0 - 20 27 1 0 0 0 - 20 28 1 0 0 0 - 21 22 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 22 31 1 0 0 0 - 23 24 1 0 0 0 - 23 32 1 0 0 0 - 23 33 1 0 0 0 - 34 38 1 0 0 0 - 35 36 1 0 0 0 - 35 40 2 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 36 42 1 0 0 0 - 37 38 1 0 0 0 - 37 43 1 0 0 0 - 38 39 2 0 0 0 - 39 40 1 0 0 0 - 39 44 1 0 0 0 - 40 45 1 0 0 0 -M END -> -1 - -> -lig_p38a_2t.1 - -> -MX MODEL - -> -1 - -> -181.04 - -> -135.86 - -> -276.32 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/src/pmx/protLig_benchmark/p38/ligands_gaff2/lig_p38a_2t - -> -mol_gmx.pdb - -> -1 - -$$$$ -lig_p38a_2u - 3D - Structure written by MMmdl. - 64 68 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1000 38.2400 27.4000 C 0 0 0 0 0 0 - 31.6600 39.0600 26.2300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 33.9600 39.0000 27.2900 C 0 0 0 0 0 0 - 33.3900 38.1900 28.4600 C 0 0 0 0 0 0 - 31.9000 38.5000 28.6800 O 0 0 0 0 0 0 - 31.1300 37.1600 27.1500 H 0 0 0 0 0 0 - 30.0200 38.5100 27.5700 H 0 0 0 0 0 0 - 31.5300 40.1500 26.4300 H 0 0 0 0 0 0 - 31.0800 38.8400 25.2900 H 0 0 0 0 0 0 - 33.2700 37.6900 25.7000 H 0 0 0 0 0 0 - 35.0300 38.7400 27.1200 H 0 0 0 0 0 0 - 33.9200 40.0900 27.5400 H 0 0 0 0 0 0 - 33.5200 37.1000 28.2500 H 0 0 0 0 0 0 - 33.9700 38.4100 29.4000 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4700 17.4400 C 0 0 0 0 0 0 - 37.5300 36.5000 18.3000 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.7000 17.1800 C 0 0 0 0 0 0 - 35.9200 37.6700 16.3200 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.7800 17.5500 H 0 0 0 0 0 0 - 38.2900 35.9500 19.2500 F 0 0 0 0 0 0 - 34.3200 36.4000 17.0800 H 0 0 0 0 0 0 - 35.2800 38.1300 15.5400 H 0 0 0 0 0 0 - 32.9700 35.0100 25.8900 C 0 0 0 0 0 0 - 33.4300 35.8000 24.6500 C 0 0 0 0 0 0 - 33.7300 34.8600 23.4800 C 0 0 0 0 0 0 - 34.7800 33.8000 23.8800 C 0 0 0 0 0 0 - 34.3200 33.0100 25.1200 C 0 0 0 0 0 0 - 34.0100 33.9600 26.2900 N 0 0 0 0 0 0 - 32.0000 34.5100 25.6700 H 0 0 0 0 0 0 - 32.7800 35.7100 26.7400 H 0 0 0 0 0 0 - 34.3500 36.3900 24.9100 H 0 0 0 0 0 0 - 32.6500 36.5400 24.3500 H 0 0 0 0 0 0 - 32.8000 34.3500 23.1600 H 0 0 0 0 0 0 - 34.9600 33.1000 23.0300 H 0 0 0 0 0 0 - 35.7500 34.3100 24.1000 H 0 0 0 0 0 0 - 33.4000 32.4300 24.8600 H 0 0 0 0 0 0 - 35.1000 32.2800 25.4100 H 0 0 0 0 0 0 - 33.3900 33.0200 27.6500 S 0 0 0 0 0 0 - 32.9900 33.9600 28.7200 O 0 0 0 0 0 0 - 31.9300 32.1500 27.1000 C 0 0 0 0 0 0 - 34.4100 32.0100 28.0200 O 0 0 0 0 0 0 - 32.2000 31.4400 26.3100 H 0 0 0 0 0 0 - 31.4900 31.6000 27.9300 H 0 0 0 0 0 0 - 31.2000 32.8600 26.7100 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 9 2 0 0 0 - 1 10 1 0 0 0 - 2 8 1 0 0 0 - 2 11 2 0 0 0 - 2 12 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 13 1 0 0 0 - 5 10 1 0 0 0 - 5 11 1 0 0 0 - 6 8 2 0 0 0 - 6 14 1 0 0 0 - 7 31 1 0 0 0 - 10 45 1 0 0 0 - 12 15 1 0 0 0 - 12 18 1 0 0 0 - 16 17 1 0 0 0 - 16 21 1 0 0 0 - 16 22 1 0 0 0 - 16 23 1 0 0 0 - 17 18 1 0 0 0 - 17 24 1 0 0 0 - 17 25 1 0 0 0 - 18 19 1 0 0 0 - 18 26 1 0 0 0 - 19 20 1 0 0 0 - 19 27 1 0 0 0 - 19 28 1 0 0 0 - 20 21 1 0 0 0 - 20 29 1 0 0 0 - 20 30 1 0 0 0 - 31 35 1 0 0 0 - 32 33 1 0 0 0 - 32 37 2 0 0 0 - 32 38 1 0 0 0 - 33 34 2 0 0 0 - 33 39 1 0 0 0 - 34 35 1 0 0 0 - 34 40 1 0 0 0 - 35 36 2 0 0 0 - 36 37 1 0 0 0 - 36 41 1 0 0 0 - 37 42 1 0 0 0 - 43 44 1 0 0 0 - 43 48 1 0 0 0 - 43 49 1 0 0 0 - 43 50 1 0 0 0 - 44 45 1 0 0 0 - 44 51 1 0 0 0 - 44 52 1 0 0 0 - 45 46 1 0 0 0 - 45 53 1 0 0 0 - 46 47 1 0 0 0 - 46 54 1 0 0 0 - 46 55 1 0 0 0 - 47 48 1 0 0 0 - 47 56 1 0 0 0 - 47 57 1 0 0 0 - 48 58 1 0 0 0 - 58 59 2 0 0 0 - 58 60 1 0 0 0 - 58 61 2 0 0 0 - 60 62 1 0 0 0 - 60 63 1 0 0 0 - 60 64 1 0 0 0 -M END -> -22 - -> -lig_p38a_2u.1 - -> -MX MODEL - -> -1 - -> -182 - -> -182.5 - -> -277.1 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2u.pdb - -> -1 - -$$$$ -lig_p38a_2v - 3D - Structure written by MMmdl. - 35 37 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 33.1600 38.9300 26.1300 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 33.4900 37.8900 26.1500 H 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4500 35.4700 24.3200 H 0 0 0 0 0 0 - 32.7400 34.3500 23.1600 H 0 0 0 0 0 0 - 34.3400 34.0600 23.8300 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.5300 39.4600 27.0100 H 0 0 0 0 0 0 - 32.0700 38.9700 26.1300 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0800 37.4500 17.4200 C 0 0 0 0 0 0 - 37.5400 36.4800 18.2800 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7300 17.2100 C 0 0 0 0 0 0 - 35.9100 37.7000 16.3500 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1400 37.7300 17.5000 H 0 0 0 0 0 0 - 38.3100 35.9000 19.2000 F 0 0 0 0 0 0 - 34.3100 36.4400 17.1200 H 0 0 0 0 0 0 - 35.2700 38.1800 15.5900 H 0 0 0 0 0 0 - 1 8 1 0 0 0 - 1 11 2 0 0 0 - 1 12 1 0 0 0 - 2 10 1 0 0 0 - 2 13 2 0 0 0 - 2 14 1 0 0 0 - 3 14 1 0 0 0 - 3 15 1 0 0 0 - 3 22 1 0 0 0 - 3 23 1 0 0 0 - 4 5 1 0 0 0 - 4 6 2 0 0 0 - 4 7 1 0 0 0 - 5 8 2 0 0 0 - 5 16 1 0 0 0 - 6 12 1 0 0 0 - 6 13 1 0 0 0 - 7 10 2 0 0 0 - 7 17 1 0 0 0 - 8 24 1 0 0 0 - 9 12 1 0 0 0 - 9 18 1 0 0 0 - 9 19 1 0 0 0 - 9 20 1 0 0 0 - 14 21 1 0 0 0 - 24 28 1 0 0 0 - 25 26 1 0 0 0 - 25 30 2 0 0 0 - 25 31 1 0 0 0 - 26 27 2 0 0 0 - 26 32 1 0 0 0 - 27 28 1 0 0 0 - 27 33 1 0 0 0 - 28 29 2 0 0 0 - 29 30 1 0 0 0 - 29 34 1 0 0 0 - 30 35 1 0 0 0 -M END -> -23 - -> -lig_p38a_2v.1 - -> -MX MODEL - -> -1 - -> -141.46 - -> -135.86 - -> -228.52 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2v.pdb - -> -1 - -$$$$ -lig_p38a_2x - 3D - Structure written by MMmdl. - 43 46 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4200 35.4700 24.3100 H 0 0 0 0 0 0 - 32.7600 34.3200 23.1500 H 0 0 0 0 0 0 - 34.3600 34.0800 23.8500 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 2 0 0 0 - 31.7200 39.1700 26.3800 C 0 0 0 0 0 0 - 31.6400 38.8800 27.8800 C 0 0 0 0 0 0 - 33.0100 39.3500 28.3900 O 0 0 0 0 0 0 - 33.9800 38.8900 27.3000 C 0 0 0 0 0 0 - 33.1600 37.6900 25.6600 H 0 0 0 0 0 0 - 30.9400 38.6200 25.8000 H 0 0 0 0 0 0 - 31.5900 40.2600 26.2100 H 0 0 0 0 0 0 - 30.7900 39.4000 28.3800 H 0 0 0 0 0 0 - 31.5300 37.7800 28.0600 H 0 0 0 0 0 0 - 34.4200 37.8900 27.5700 H 0 0 0 0 0 0 - 34.8300 39.6000 27.1800 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.4800 17.4500 C 0 0 0 0 0 0 - 37.5200 36.5100 18.3100 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.6900 17.1700 C 0 0 0 0 0 0 - 35.9200 37.6600 16.3100 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1200 37.8000 17.5600 H 0 0 0 0 0 0 - 38.2900 35.9700 19.2600 F 0 0 0 0 0 0 - 34.3300 36.3800 17.0600 H 0 0 0 0 0 0 - 35.2900 38.1100 15.5300 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 32 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 24 1 0 0 0 - 20 25 1 0 0 0 - 21 22 1 0 0 0 - 21 26 1 0 0 0 - 21 27 1 0 0 0 - 22 23 1 0 0 0 - 22 28 1 0 0 0 - 22 29 1 0 0 0 - 23 24 1 0 0 0 - 24 30 1 0 0 0 - 24 31 1 0 0 0 - 32 36 1 0 0 0 - 33 34 1 0 0 0 - 33 38 2 0 0 0 - 33 39 1 0 0 0 - 34 35 2 0 0 0 - 34 40 1 0 0 0 - 35 36 1 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 37 38 1 0 0 0 - 37 42 1 0 0 0 - 38 43 1 0 0 0 -M END -> -24 - -> -lig_p38a_2x.1 - -> -MX MODEL - -> -1 - -> -166.52 - -> -135.86 - -> -257.2 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2x.pdb - -> -1 - -$$$$ -lig_p38a_2y - 3D - Structure written by MMmdl. - 45 47 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.3300 35.4800 24.2700 H 0 0 0 0 0 0 - 32.8200 34.2400 23.1200 H 0 0 0 0 0 0 - 34.3900 34.1500 23.9200 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.1200 38.7100 26.0600 C 0 0 0 0 0 0 - 32.0900 39.0000 26.2700 H 0 0 0 0 0 0 - 33.1600 37.6600 25.7700 H 0 0 0 0 0 0 - 33.9800 38.9300 27.3200 C 0 0 0 0 0 0 - 33.4200 38.0600 28.4700 C 0 0 0 0 0 0 - 35.3100 38.5600 27.0600 O 0 0 0 0 0 0 - 33.9300 40.4100 27.7300 C 0 0 0 0 0 0 - 34.0300 38.2200 29.3700 H 0 0 0 0 0 0 - 32.3900 38.3500 28.6800 H 0 0 0 0 0 0 - 33.4600 37.0100 28.1900 H 0 0 0 0 0 0 - 34.5300 40.5700 28.6300 H 0 0 0 0 0 0 - 34.3200 41.0300 26.9200 H 0 0 0 0 0 0 - 32.8900 40.7000 27.9300 H 0 0 0 0 0 0 - 35.8400 38.7000 27.8500 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4600 17.4300 C 0 0 0 0 0 0 - 37.5300 36.4900 18.2900 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3700 36.7200 17.2000 C 0 0 0 0 0 0 - 35.9100 37.6900 16.3400 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7500 17.5200 H 0 0 0 0 0 0 - 38.3100 35.9200 19.2100 F 0 0 0 0 0 0 - 34.3100 36.4300 17.1100 H 0 0 0 0 0 0 - 35.2700 38.1600 15.5700 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 34 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 23 24 1 0 0 0 - 23 25 1 0 0 0 - 23 26 1 0 0 0 - 24 27 1 0 0 0 - 24 28 1 0 0 0 - 24 29 1 0 0 0 - 25 33 1 0 0 0 - 26 30 1 0 0 0 - 26 31 1 0 0 0 - 26 32 1 0 0 0 - 34 38 1 0 0 0 - 35 36 1 0 0 0 - 35 40 2 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 36 42 1 0 0 0 - 37 38 1 0 0 0 - 37 43 1 0 0 0 - 38 39 2 0 0 0 - 39 40 1 0 0 0 - 39 44 1 0 0 0 - 40 45 1 0 0 0 -M END -> -25 - -> -lig_p38a_2y.1 - -> -MX MODEL - -> -1 - -> -140.82 - -> -145 - -> -275.94 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2y.pdb - -> -1 - -$$$$ -lig_p38a_2z - 3D - Structure written by MMmdl. - 45 47 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.3800 35.4800 24.3000 H 0 0 0 0 0 0 - 32.7800 34.2900 23.1400 H 0 0 0 0 0 0 - 34.3700 34.1100 23.8800 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 33.1200 38.7100 26.0600 C 0 0 0 0 0 0 - 34.0000 38.8900 27.3100 C 0 0 0 0 0 0 - 31.6800 39.1500 26.3800 C 0 0 0 0 0 0 - 33.1300 37.2300 25.6400 C 0 0 0 0 0 0 - 31.2900 38.5300 27.1900 H 0 0 0 0 0 0 - 31.6800 40.1900 26.6800 H 0 0 0 0 0 0 - 31.0600 39.0200 25.5000 H 0 0 0 0 0 0 - 32.7400 36.6200 26.4500 H 0 0 0 0 0 0 - 32.5100 37.1000 24.7500 H 0 0 0 0 0 0 - 34.1600 36.9200 25.4100 H 0 0 0 0 0 0 - 33.5000 38.1000 28.3600 O 0 0 0 0 0 0 - 35.0300 38.5900 27.0900 H 0 0 0 0 0 0 - 34.0000 39.9400 27.6100 H 0 0 0 0 0 0 - 34.0500 38.2200 29.1400 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0700 37.4700 17.4400 C 0 0 0 0 0 0 - 37.5300 36.4900 18.3000 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3800 36.7100 17.1900 C 0 0 0 0 0 0 - 35.9100 37.6800 16.3300 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1300 37.7600 17.5300 H 0 0 0 0 0 0 - 38.3000 35.9300 19.2300 F 0 0 0 0 0 0 - 34.3200 36.4100 17.0900 H 0 0 0 0 0 0 - 35.2800 38.1400 15.5600 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 34 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 21 30 1 0 0 0 - 21 31 1 0 0 0 - 21 32 1 0 0 0 - 22 24 1 0 0 0 - 22 25 1 0 0 0 - 22 26 1 0 0 0 - 23 27 1 0 0 0 - 23 28 1 0 0 0 - 23 29 1 0 0 0 - 30 33 1 0 0 0 - 34 38 1 0 0 0 - 35 36 1 0 0 0 - 35 40 2 0 0 0 - 35 41 1 0 0 0 - 36 37 2 0 0 0 - 36 42 1 0 0 0 - 37 38 1 0 0 0 - 37 43 1 0 0 0 - 38 39 2 0 0 0 - 39 40 1 0 0 0 - 39 44 1 0 0 0 - 40 45 1 0 0 0 -M END -> -26 - -> -lig_p38a_2z.1 - -> -MX MODEL - -> -1 - -> -161.4 - -> -135.86 - -> -271.74 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_2z.pdb - -> -1 - -$$$$ -lig_p38a_3fln - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6700 34.8300 23.4600 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.4900 35.4600 24.3400 H 0 0 0 0 0 0 - 32.7200 34.3800 23.1700 H 0 0 0 0 0 0 - 34.3300 34.0300 23.8000 H 0 0 0 0 0 0 - 33.7900 40.5700 24.9700 H 0 0 0 0 0 0 - 31.1000 38.2600 27.4100 C 0 0 0 0 0 0 - 31.6600 39.0700 26.2300 C 0 0 0 0 0 0 - 33.1500 38.7500 26.0100 C 0 0 0 0 0 0 - 33.9700 38.9900 27.2900 C 0 0 0 0 0 0 - 33.4000 38.1800 28.4600 C 0 0 0 0 0 0 - 31.9200 38.4900 28.6900 O 0 0 0 0 0 0 - 31.1200 37.1700 27.1500 H 0 0 0 0 0 0 - 30.0300 38.5300 27.5800 H 0 0 0 0 0 0 - 31.5500 40.1600 26.4500 H 0 0 0 0 0 0 - 31.0800 38.8600 25.3100 H 0 0 0 0 0 0 - 33.2600 37.6900 25.6900 H 0 0 0 0 0 0 - 35.0400 38.7200 27.1100 H 0 0 0 0 0 0 - 33.9400 40.0800 27.5400 H 0 0 0 0 0 0 - 33.5200 37.0900 28.2500 H 0 0 0 0 0 0 - 33.9900 38.3900 29.3900 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0600 37.4900 17.4600 C 0 0 0 0 0 0 - 37.5200 36.5200 18.3200 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3900 36.6800 17.1600 C 0 0 0 0 0 0 - 35.9200 37.6500 16.3000 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1100 37.8100 17.5800 H 0 0 0 0 0 0 - 38.2800 35.9900 19.2800 F 0 0 0 0 0 0 - 34.3400 36.3600 17.0500 H 0 0 0 0 0 0 - 35.3000 38.0900 15.5100 H 0 0 0 0 0 0 - 1 7 1 0 0 0 - 1 10 2 0 0 0 - 1 11 1 0 0 0 - 2 9 1 0 0 0 - 2 12 2 0 0 0 - 2 13 1 0 0 0 - 3 4 1 0 0 0 - 3 5 2 0 0 0 - 3 6 1 0 0 0 - 4 7 2 0 0 0 - 4 14 1 0 0 0 - 5 11 1 0 0 0 - 5 12 1 0 0 0 - 6 9 2 0 0 0 - 6 15 1 0 0 0 - 7 35 1 0 0 0 - 8 11 1 0 0 0 - 8 16 1 0 0 0 - 8 17 1 0 0 0 - 8 18 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -27 - -> -lig_p38a_3fln.1 - -> -MX MODEL - -> -1 - -> -181.6 - -> -135.86 - -> -277.56 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3fln.pdb - -> -1 - -$$$$ -lig_p38a_3flq - 3D - Structure written by MMmdl. - 47 49 0 0 1 0 999 V2000 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6600 34.8300 23.4500 C 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.6900 37.7400 19.4700 H 0 0 0 0 0 0 - 35.2100 39.8600 20.8300 H 0 0 0 0 0 0 - 34.2800 33.9700 23.7200 H 0 0 0 0 0 0 - 33.5900 35.4200 24.3700 H 0 0 0 0 0 0 - 32.6600 34.4700 23.2000 H 0 0 0 0 0 0 - 33.8300 40.5600 24.9800 H 0 0 0 0 0 0 - 33.0700 38.7200 26.0400 C 0 0 1 0 0 0 - 33.9200 38.8700 27.3100 C 0 0 0 0 0 0 - 31.6300 39.2000 26.3300 C 0 0 0 0 0 0 - 33.0500 37.6800 25.7300 H 0 0 0 0 0 0 - 33.4900 38.2600 28.1100 H 0 0 0 0 0 0 - 34.9400 38.5300 27.1100 H 0 0 0 0 0 0 - 33.9400 39.9100 27.6200 H 0 0 0 0 0 0 - 31.2000 38.5900 27.1200 H 0 0 0 0 0 0 - 31.6500 40.2400 26.6300 H 0 0 0 0 0 0 - 30.6400 39.0300 24.8500 S 0 0 0 0 0 0 - 31.3400 39.7300 23.7400 O 0 0 0 0 0 0 - 30.5600 37.2800 24.4400 C 0 0 0 0 0 0 - 29.2700 39.4900 25.1500 O 0 0 0 0 0 0 - 30.0500 36.7500 25.2400 H 0 0 0 0 0 0 - 30.0100 37.1600 23.5100 H 0 0 0 0 0 0 - 31.5700 36.8900 24.3200 H 0 0 0 0 0 0 - 35.6600 35.1500 19.0200 O 0 0 0 0 0 0 - 37.3100 37.9800 16.4300 C 0 0 0 0 0 0 - 38.0700 37.4700 17.5000 C 0 0 0 0 0 0 - 37.5200 36.5200 18.3700 C 0 0 0 0 0 0 - 36.2000 36.0800 18.1700 C 0 0 0 0 0 0 - 35.4300 36.5900 17.1100 C 0 0 0 0 0 0 - 35.9900 37.5400 16.2400 C 0 0 0 0 0 0 - 37.8400 38.8800 15.6100 F 0 0 0 0 0 0 - 39.1100 37.8200 17.6500 H 0 0 0 0 0 0 - 38.2400 36.0300 19.3800 F 0 0 0 0 0 0 - 34.4000 36.2400 16.9600 H 0 0 0 0 0 0 - 35.3900 37.9400 15.4000 H 0 0 0 0 0 0 - 1 10 1 0 0 0 - 1 11 2 0 0 0 - 1 13 1 0 0 0 - 2 3 1 0 0 0 - 2 4 2 0 0 0 - 2 9 1 0 0 0 - 3 5 2 0 0 0 - 3 14 1 0 0 0 - 4 6 1 0 0 0 - 4 11 1 0 0 0 - 5 7 1 0 0 0 - 5 36 1 0 0 0 - 6 7 1 0 0 0 - 6 12 1 0 0 0 - 7 8 2 0 0 0 - 9 10 2 0 0 0 - 9 15 1 0 0 0 - 12 16 1 0 0 0 - 12 17 1 0 0 0 - 12 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 21 24 1 0 0 0 - 21 25 1 0 0 0 - 21 26 1 0 0 0 - 22 27 1 0 0 0 - 22 28 1 0 0 0 - 22 29 1 0 0 0 - 29 30 2 0 0 0 - 29 31 1 0 0 0 - 29 32 2 0 0 0 - 31 33 1 0 0 0 - 31 34 1 0 0 0 - 31 35 1 0 0 0 - 36 40 1 0 0 0 - 37 38 1 0 0 0 - 37 42 2 0 0 0 - 37 43 1 0 0 0 - 38 39 2 0 0 0 - 38 44 1 0 0 0 - 39 40 1 0 0 0 - 39 45 1 0 0 0 - 40 41 2 0 0 0 - 41 42 1 0 0 0 - 41 46 1 0 0 0 - 42 47 1 0 0 0 -M END -> -28 - -> -lig_p38a_3flq.1 - -> -MX MODEL - -> -1 - -> -196.76 - -> -135.72 - -> -254.16 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3flq.pdb - -> -1 - -$$$$ -lig_p38a_3flw - 3D - Structure written by MMmdl. - 49 51 0 0 1 0 999 V2000 - 33.7500 34.7800 23.4700 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 33.3800 35.3500 24.3200 H 0 0 0 0 0 0 - 32.9300 34.1300 23.1600 H 0 0 0 0 0 0 - 34.5700 34.1600 23.8300 H 0 0 0 0 0 0 - 35.7100 37.7300 19.4700 H 0 0 0 0 0 0 - 35.2300 39.8600 20.8400 H 0 0 0 0 0 0 - 33.8200 40.5600 24.9800 H 0 0 0 0 0 0 - 33.0800 38.7200 26.0400 C 0 0 0 0 0 0 - 33.9700 38.8300 27.3000 C 0 0 0 0 0 0 - 31.6600 39.2200 26.3700 C 0 0 0 0 0 0 - 33.0300 37.6800 25.7200 H 0 0 0 0 0 0 - 33.5400 38.2200 28.0900 H 0 0 0 0 0 0 - 35.3800 38.3200 26.9700 C 0 0 0 0 0 0 - 34.0200 39.8700 27.6200 H 0 0 0 0 0 0 - 31.2400 38.6200 27.1700 H 0 0 0 0 0 0 - 31.7100 40.2600 26.7000 H 0 0 0 0 0 0 - 30.7700 39.1200 25.1200 C 0 0 0 0 0 0 - 29.7700 39.4800 25.3600 H 0 0 0 0 0 0 - 31.2000 39.7300 24.3200 H 0 0 0 0 0 0 - 30.7100 37.7700 24.7000 O 0 0 0 0 0 0 - 36.3400 39.0900 27.6600 O 0 0 0 0 0 0 - 35.4800 37.2700 27.2600 H 0 0 0 0 0 0 - 35.5600 38.4100 25.8900 H 0 0 0 0 0 0 - 36.8800 39.5800 27.0400 H 0 0 0 0 0 0 - 31.5900 37.4000 24.7000 H 0 0 0 0 0 0 - 35.6600 35.1500 19.0200 O 0 0 0 0 0 0 - 37.3100 37.9800 16.4300 C 0 0 0 0 0 0 - 38.1000 37.4000 17.4300 C 0 0 0 0 0 0 - 37.5500 36.4400 18.3000 C 0 0 0 0 0 0 - 36.2000 36.0800 18.1700 C 0 0 0 0 0 0 - 35.4000 36.6600 17.1700 C 0 0 0 0 0 0 - 35.9600 37.6100 16.3000 C 0 0 0 0 0 0 - 37.8400 38.8800 15.6100 F 0 0 0 0 0 0 - 39.1600 37.6800 17.5400 H 0 0 0 0 0 0 - 38.3000 35.8900 19.2500 F 0 0 0 0 0 0 - 34.3400 36.3700 17.0700 H 0 0 0 0 0 0 - 35.3400 38.0700 15.5100 H 0 0 0 0 0 0 - 1 9 1 0 0 0 - 1 14 1 0 0 0 - 1 15 1 0 0 0 - 1 16 1 0 0 0 - 2 3 2 0 0 0 - 2 7 1 0 0 0 - 2 38 1 0 0 0 - 3 4 1 0 0 0 - 3 17 1 0 0 0 - 4 5 1 0 0 0 - 4 10 2 0 0 0 - 5 6 2 0 0 0 - 5 18 1 0 0 0 - 6 12 1 0 0 0 - 7 8 2 0 0 0 - 7 9 1 0 0 0 - 9 10 1 0 0 0 - 10 11 1 0 0 0 - 11 12 2 0 0 0 - 12 13 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 21 24 1 0 0 0 - 21 25 1 0 0 0 - 21 26 1 0 0 0 - 22 27 1 0 0 0 - 22 28 1 0 0 0 - 22 29 1 0 0 0 - 25 33 1 0 0 0 - 25 34 1 0 0 0 - 25 35 1 0 0 0 - 29 30 1 0 0 0 - 29 31 1 0 0 0 - 29 32 1 0 0 0 - 32 37 1 0 0 0 - 33 36 1 0 0 0 - 38 42 1 0 0 0 - 39 40 1 0 0 0 - 39 44 2 0 0 0 - 39 45 1 0 0 0 - 40 41 2 0 0 0 - 40 46 1 0 0 0 - 41 42 1 0 0 0 - 41 47 1 0 0 0 - 42 43 2 0 0 0 - 43 44 1 0 0 0 - 43 48 1 0 0 0 - 44 49 1 0 0 0 -M END -> -29 - -> -lig_p38a_3flw.1 - -> -MX MODEL - -> -1 - -> -187.86 - -> -135.76 - -> -251.62 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3flw.pdb - -> -1 - -$$$$ -lig_p38a_3fly - 3D - Structure written by MMmdl. - 41 43 0 0 1 0 999 V2000 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.7100 34.8400 23.4900 C 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.2200 39.8500 20.8300 H 0 0 0 0 0 0 - 35.7000 37.7400 19.4700 H 0 0 0 0 0 0 - 34.3500 34.0100 23.7900 H 0 0 0 0 0 0 - 33.6200 35.4700 24.3700 H 0 0 0 0 0 0 - 32.7300 34.4300 23.2600 H 0 0 0 0 0 0 - 33.8100 40.5600 24.9800 H 0 0 0 0 0 0 - 33.0900 38.7200 26.0500 C 0 0 0 0 0 0 - 33.9000 38.9500 27.3400 C 0 0 0 0 0 0 - 31.6200 39.1100 26.2800 C 0 0 0 0 0 0 - 33.1500 37.6600 25.7700 H 0 0 0 0 0 0 - 33.4800 38.3400 28.1400 H 0 0 0 0 0 0 - 34.9400 38.6700 27.1700 H 0 0 0 0 0 0 - 33.8400 40.0000 27.6100 H 0 0 0 0 0 0 - 31.2100 38.5000 27.0900 H 0 0 0 0 0 0 - 31.5700 40.1600 26.5600 H 0 0 0 0 0 0 - 31.0500 38.9400 25.3700 H 0 0 0 0 0 0 - 35.6600 35.1500 19.0200 O 0 0 0 0 0 0 - 37.0900 38.0000 16.3200 C 0 0 0 0 0 0 - 37.9500 37.4400 17.2800 C 0 0 0 0 0 0 - 37.4700 36.4800 18.1900 C 0 0 0 0 0 0 - 36.1200 36.0800 18.1400 C 0 0 0 0 0 0 - 35.2600 36.6400 17.1800 C 0 0 0 0 0 0 - 35.7400 37.6000 16.2700 C 0 0 0 0 0 0 - 37.5500 38.9100 15.4600 F 0 0 0 0 0 0 - 39.0100 37.7600 17.3200 H 0 0 0 0 0 0 - 38.2900 35.9500 19.1000 F 0 0 0 0 0 0 - 34.2000 36.3300 17.1400 H 0 0 0 0 0 0 - 35.0600 38.0300 15.5200 H 0 0 0 0 0 0 - 1 3 1 0 0 0 - 1 4 2 0 0 0 - 1 14 1 0 0 0 - 2 4 1 0 0 0 - 2 10 1 0 0 0 - 2 12 2 0 0 0 - 3 8 2 0 0 0 - 4 5 1 0 0 0 - 5 6 2 0 0 0 - 5 15 1 0 0 0 - 6 7 1 0 0 0 - 6 30 1 0 0 0 - 7 9 2 0 0 0 - 7 10 1 0 0 0 - 8 12 1 0 0 0 - 8 13 1 0 0 0 - 10 11 1 0 0 0 - 11 16 1 0 0 0 - 11 17 1 0 0 0 - 11 18 1 0 0 0 - 13 19 1 0 0 0 - 13 20 1 0 0 0 - 20 21 1 0 0 0 - 20 22 1 0 0 0 - 20 23 1 0 0 0 - 21 24 1 0 0 0 - 21 25 1 0 0 0 - 21 26 1 0 0 0 - 22 27 1 0 0 0 - 22 28 1 0 0 0 - 22 29 1 0 0 0 - 30 34 1 0 0 0 - 31 32 1 0 0 0 - 31 36 2 0 0 0 - 31 37 1 0 0 0 - 32 33 2 0 0 0 - 32 38 1 0 0 0 - 33 34 1 0 0 0 - 33 39 1 0 0 0 - 34 35 2 0 0 0 - 35 36 1 0 0 0 - 35 40 1 0 0 0 - 36 41 1 0 0 0 -M END -> -30 - -> -lig_p38a_3fly.1 - -> -MX MODEL - -> -1 - -> -159.14 - -> -135.78 - -> -253.62 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3fly.pdb - -> -1 - -$$$$ -lig_p38a_3flz - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 33.6300 34.8400 23.4300 C 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 35.6900 37.7200 19.4400 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 34.3400 34.0700 23.7500 H 0 0 0 0 0 0 - 33.4000 35.5000 24.2700 H 0 0 0 0 0 0 - 32.7100 34.3600 23.0800 H 0 0 0 0 0 0 - 33.7300 40.5700 24.9800 H 0 0 0 0 0 0 - 31.2800 38.2600 27.5900 C 0 0 0 0 0 0 - 31.7600 39.0900 26.3800 C 0 0 0 0 0 0 - 33.2200 38.7400 26.0300 C 0 0 0 0 0 0 - 34.1400 38.9500 27.2500 C 0 0 0 0 0 0 - 33.6600 38.1200 28.4500 C 0 0 0 0 0 0 - 32.2000 38.4700 28.8000 O 0 0 0 0 0 0 - 31.2600 37.1800 27.3100 H 0 0 0 0 0 0 - 30.2300 38.5500 27.8500 H 0 0 0 0 0 0 - 31.6900 40.1800 26.6200 H 0 0 0 0 0 0 - 31.1100 38.9000 25.5000 H 0 0 0 0 0 0 - 33.2800 37.6800 25.7000 H 0 0 0 0 0 0 - 35.1900 38.6600 26.9900 H 0 0 0 0 0 0 - 34.1600 40.0300 27.5200 H 0 0 0 0 0 0 - 33.7300 37.0400 28.2100 H 0 0 0 0 0 0 - 34.3100 38.3100 29.3300 H 0 0 0 0 0 0 - 35.6600 35.1500 19.0200 O 0 0 0 0 0 0 - 37.2400 37.9900 16.3900 C 0 0 0 0 0 0 - 35.8900 37.6200 16.3000 C 0 0 0 0 0 0 - 35.3500 36.6600 17.1800 C 0 0 0 0 0 0 - 36.1700 36.0800 18.1600 C 0 0 0 0 0 0 - 37.5200 36.4500 18.2600 C 0 0 0 0 0 0 - 38.0600 37.4100 17.3800 C 0 0 0 0 0 0 - 37.6500 38.7400 15.7000 H 0 0 0 0 0 0 - 35.2400 38.0700 15.5200 H 0 0 0 0 0 0 - 34.2900 36.3700 17.1000 H 0 0 0 0 0 0 - 38.1700 35.9900 19.0300 H 0 0 0 0 0 0 - 39.1200 37.7000 17.4500 H 0 0 0 0 0 0 - 1 3 1 0 0 0 - 1 6 2 0 0 0 - 1 14 1 0 0 0 - 2 3 1 0 0 0 - 2 11 1 0 0 0 - 2 12 2 0 0 0 - 3 4 2 0 0 0 - 4 10 1 0 0 0 - 4 15 1 0 0 0 - 5 10 2 0 0 0 - 5 12 1 0 0 0 - 5 13 1 0 0 0 - 6 9 1 0 0 0 - 6 35 1 0 0 0 - 7 11 1 0 0 0 - 7 16 1 0 0 0 - 7 17 1 0 0 0 - 7 18 1 0 0 0 - 8 9 2 0 0 0 - 9 11 1 0 0 0 - 13 19 1 0 0 0 - 13 22 1 0 0 0 - 20 21 1 0 0 0 - 20 25 1 0 0 0 - 20 26 1 0 0 0 - 20 27 1 0 0 0 - 21 22 1 0 0 0 - 21 28 1 0 0 0 - 21 29 1 0 0 0 - 22 23 1 0 0 0 - 22 30 1 0 0 0 - 23 24 1 0 0 0 - 23 31 1 0 0 0 - 23 32 1 0 0 0 - 24 25 1 0 0 0 - 24 33 1 0 0 0 - 24 34 1 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -31 - -> -lig_p38a_3flz.1 - -> -MX MODEL - -> -1 - -> -177.7 - -> -135.84 - -> -276.18 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3flz.pdb - -> -1 - -$$$$ -lig_p38a_3fmh - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.7000 34.8300 23.4800 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 33.0500 38.9400 26.0900 C 0 0 2 0 0 0 - 31.6200 39.4400 26.2500 C 0 0 0 0 0 0 - 33.9200 39.1100 27.3600 C 0 0 0 0 0 0 - 34.2000 40.5000 27.7100 N 0 0 0 0 0 0 - 35.3700 41.1000 27.4000 N 0 0 0 0 0 0 - 35.1500 42.2900 27.9300 C 0 0 0 0 0 0 - 33.9300 42.4200 28.5200 N 0 0 0 0 0 0 - 33.3400 41.2800 28.3900 N 0 0 0 0 0 0 - 33.3900 35.4800 24.3000 H 0 0 0 0 0 0 - 32.8300 34.2500 23.1700 H 0 0 0 0 0 0 - 34.4300 34.1400 23.9100 H 0 0 0 0 0 0 - 35.6900 37.7400 19.4600 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8300 H 0 0 0 0 0 0 - 33.8400 40.5600 25.0000 H 0 0 0 0 0 0 - 32.9800 37.8700 25.9000 H 0 0 0 0 0 0 - 31.1300 38.9700 27.1100 H 0 0 0 0 0 0 - 31.5700 40.5200 26.4000 H 0 0 0 0 0 0 - 31.0300 39.2000 25.3700 H 0 0 0 0 0 0 - 33.4300 38.6400 28.2100 H 0 0 0 0 0 0 - 34.8700 38.5900 27.2300 H 0 0 0 0 0 0 - 35.8800 43.0900 27.8800 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0800 37.4300 17.4000 C 0 0 0 0 0 0 - 37.5400 36.4600 18.2600 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.3600 36.7500 17.2200 C 0 0 0 0 0 0 - 35.9000 37.7200 16.3600 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.1500 37.7000 17.4700 H 0 0 0 0 0 0 - 38.3200 35.8600 19.1700 F 0 0 0 0 0 0 - 34.3000 36.4800 17.1500 H 0 0 0 0 0 0 - 35.2600 38.2100 15.6200 H 0 0 0 0 0 0 - 1 2 1 0 0 0 - 1 8 2 0 0 0 - 1 35 1 0 0 0 - 2 3 2 0 0 0 - 2 4 1 0 0 0 - 4 5 1 0 0 0 - 4 6 1 0 0 0 - 5 22 1 0 0 0 - 5 23 1 0 0 0 - 5 24 1 0 0 0 - 6 7 1 0 0 0 - 6 9 2 0 0 0 - 7 12 2 0 0 0 - 8 9 1 0 0 0 - 8 25 1 0 0 0 - 9 10 1 0 0 0 - 10 11 2 0 0 0 - 10 26 1 0 0 0 - 11 12 1 0 0 0 - 12 13 1 0 0 0 - 13 14 1 0 0 0 - 13 27 1 0 0 0 - 14 15 1 0 0 0 - 14 16 1 0 0 0 - 14 28 1 0 0 0 - 15 29 1 0 0 0 - 15 30 1 0 0 0 - 15 31 1 0 0 0 - 16 17 1 0 0 0 - 16 32 1 0 0 0 - 16 33 1 0 0 0 - 17 18 1 0 0 0 - 17 21 1 0 0 0 - 18 19 2 0 0 0 - 19 20 1 0 0 0 - 19 34 1 0 0 0 - 20 21 2 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -32 - -> -lig_p38a_3fmh.1 - -> -MX MODEL - -> -1 - -> -162.38 - -> -186.22 - -> -258.14 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3fmh.pdb - -> -1 - -$$$$ -lig_p38a_3fmk - 3D - Structure written by MMmdl. - 46 49 0 0 1 0 999 V2000 - 33.6700 34.8100 23.4500 C 0 0 0 0 0 0 - 34.8500 39.2100 21.6200 C 0 0 0 0 0 0 - 33.0500 38.9400 26.0900 C 0 0 1 0 0 0 - 31.5900 39.4100 26.2500 C 0 0 0 0 0 0 - 34.0400 38.9800 23.7400 C 0 0 0 0 0 0 - 34.5500 34.9800 21.1800 C 0 0 0 0 0 0 - 35.1700 35.7800 20.1300 C 0 0 0 0 0 0 - 35.2500 37.1300 20.2300 C 0 0 0 0 0 0 - 34.8000 37.8100 21.4400 C 0 0 0 0 0 0 - 34.3100 37.0400 22.5100 C 0 0 0 0 0 0 - 33.6700 39.5700 24.9300 N 0 0 0 0 0 0 - 34.3300 33.7800 21.0200 O 0 0 0 0 0 0 - 34.2100 35.6200 22.3400 N 0 0 0 0 0 0 - 33.9300 37.6500 23.6600 N 0 0 0 0 0 0 - 34.4800 39.7900 22.7800 N 0 0 0 0 0 0 - 33.8700 39.2400 27.3500 C 0 0 0 0 0 0 - 30.7400 38.9500 25.1600 N 0 0 0 0 0 0 - 30.2600 39.7700 24.2100 N 0 0 0 0 0 0 - 29.6000 38.8900 23.4700 C 0 0 0 0 0 0 - 29.6600 37.6200 23.9400 N 0 0 0 0 0 0 - 30.3700 37.6600 25.0200 N 0 0 0 0 0 0 - 33.5000 35.3800 24.3600 H 0 0 0 0 0 0 - 32.7200 34.3600 23.1500 H 0 0 0 0 0 0 - 34.3500 34.0000 23.7300 H 0 0 0 0 0 0 - 35.2200 39.8600 20.8400 H 0 0 0 0 0 0 - 33.0600 37.8600 25.9500 H 0 0 0 0 0 0 - 31.1800 39.0200 27.1800 H 0 0 0 0 0 0 - 31.5500 40.4900 26.3000 H 0 0 0 0 0 0 - 35.7000 37.7300 19.4600 H 0 0 0 0 0 0 - 33.7600 40.5700 24.9600 H 0 0 0 0 0 0 - 34.9100 38.9300 27.2300 H 0 0 0 0 0 0 - 33.8600 40.3000 27.5900 H 0 0 0 0 0 0 - 33.4700 38.7000 28.2100 H 0 0 0 0 0 0 - 29.0400 39.1700 22.5900 H 0 0 0 0 0 0 - 35.6600 35.1800 19.0100 O 0 0 0 0 0 0 - 37.2600 38.0600 16.4500 C 0 0 0 0 0 0 - 38.0500 37.5200 17.4800 C 0 0 0 0 0 0 - 37.5100 36.5500 18.3500 C 0 0 0 0 0 0 - 36.1900 36.1200 18.1700 C 0 0 0 0 0 0 - 35.4000 36.6500 17.1400 C 0 0 0 0 0 0 - 35.9400 37.6200 16.2800 C 0 0 0 0 0 0 - 37.7700 38.9800 15.6300 F 0 0 0 0 0 0 - 39.0900 37.8600 17.6200 H 0 0 0 0 0 0 - 38.2600 36.0400 19.3200 F 0 0 0 0 0 0 - 34.3600 36.3100 17.0100 H 0 0 0 0 0 0 - 35.3200 38.0500 15.4700 H 0 0 0 0 0 0 - 1 13 1 0 0 0 - 1 22 1 0 0 0 - 1 23 1 0 0 0 - 1 24 1 0 0 0 - 2 9 1 0 0 0 - 2 15 2 0 0 0 - 2 25 1 0 0 0 - 3 4 1 0 0 0 - 3 11 1 0 0 0 - 3 16 1 0 0 0 - 3 26 1 0 0 0 - 4 17 1 0 0 0 - 4 27 1 0 0 0 - 4 28 1 0 0 0 - 5 11 1 0 0 0 - 5 14 2 0 0 0 - 5 15 1 0 0 0 - 6 7 1 0 0 0 - 6 12 2 0 0 0 - 6 13 1 0 0 0 - 7 8 2 0 0 0 - 7 35 1 0 0 0 - 8 9 1 0 0 0 - 8 29 1 0 0 0 - 9 10 2 0 0 0 - 10 13 1 0 0 0 - 10 14 1 0 0 0 - 11 30 1 0 0 0 - 16 31 1 0 0 0 - 16 32 1 0 0 0 - 16 33 1 0 0 0 - 17 18 1 0 0 0 - 17 21 1 0 0 0 - 18 19 2 0 0 0 - 19 20 1 0 0 0 - 19 34 1 0 0 0 - 20 21 2 0 0 0 - 35 39 1 0 0 0 - 36 37 1 0 0 0 - 36 41 2 0 0 0 - 36 42 1 0 0 0 - 37 38 2 0 0 0 - 37 43 1 0 0 0 - 38 39 1 0 0 0 - 38 44 1 0 0 0 - 39 40 2 0 0 0 - 40 41 1 0 0 0 - 40 45 1 0 0 0 - 41 46 1 0 0 0 -M END -> -33 - -> -lig_p38a_3fmk.1 - -> -MX MODEL - -> -1 - -> -200.9 - -> -135.94 - -> -254.82 - -> -90 - -> -90 - -> -90 - -> -P 1 - -> -1 - -> -3.0 - -> -/users/home/dhahn3/projects/PLBenchmarks/PLBenchmarks/data/2019-12-09_p38/03_docked - -> -lig_p38a_3fmk.pdb - -> -1 - -$$$$ diff --git a/easyCampaign/molecules/rbfe/p38_old_protein.pdb b/easyCampaign/molecules/rbfe/p38_old_protein.pdb deleted file mode 100644 index a11927d..0000000 --- a/easyCampaign/molecules/rbfe/p38_old_protein.pdb +++ /dev/null @@ -1,5635 +0,0 @@ -ATOM 1 H1 ACE 1 29.597 21.843 15.050 1.00 0.00 -ATOM 2 CH3 ACE 1 28.754 22.406 15.451 1.00 0.00 -ATOM 3 H2 ACE 1 27.935 22.396 14.732 1.00 0.00 -ATOM 4 H3 ACE 1 29.060 23.435 15.638 1.00 0.00 -ATOM 5 C ACE 1 28.265 21.803 16.750 1.00 0.00 -ATOM 6 O ACE 1 28.807 20.798 17.230 1.00 0.00 -ATOM 7 N HIE 2 27.269 22.343 17.366 1.00 0.00 -ATOM 8 H HIE 2 26.796 23.195 17.100 1.00 0.00 -ATOM 9 CA HIE 2 26.870 21.688 18.612 1.00 0.00 -ATOM 10 HA HIE 2 27.715 21.680 19.301 1.00 0.00 -ATOM 11 CB HIE 2 25.693 22.420 19.285 1.00 0.00 -ATOM 12 HB2 HIE 2 24.915 22.582 18.539 1.00 0.00 -ATOM 13 HB3 HIE 2 25.284 21.847 20.117 1.00 0.00 -ATOM 14 CG HIE 2 26.054 23.775 19.831 1.00 0.00 -ATOM 15 ND1 HIE 2 26.534 23.958 21.133 1.00 0.00 -ATOM 16 CE1 HIE 2 26.797 25.254 21.219 1.00 0.00 -ATOM 17 HE1 HIE 2 27.201 25.599 22.171 1.00 0.00 -ATOM 18 NE2 HIE 2 26.513 25.917 20.097 1.00 0.00 -ATOM 19 HE2 HIE 2 26.625 26.904 19.915 1.00 0.00 -ATOM 20 CD2 HIE 2 26.023 24.995 19.192 1.00 0.00 -ATOM 21 HD2 HIE 2 25.710 25.319 18.199 1.00 0.00 -ATOM 22 C HIE 2 26.525 20.213 18.382 1.00 0.00 -ATOM 23 O HIE 2 25.735 19.883 17.497 1.00 0.00 -ATOM 24 N THR 3 27.125 19.337 19.202 1.00 0.00 -ATOM 25 H THR 3 27.806 19.731 19.835 1.00 0.00 -ATOM 26 CA THR 3 26.901 17.891 19.237 1.00 0.00 -ATOM 27 HA THR 3 26.805 17.418 18.260 1.00 0.00 -ATOM 28 CB THR 3 28.077 17.220 19.999 1.00 0.00 -ATOM 29 HB THR 3 27.893 16.146 20.002 1.00 0.00 -ATOM 30 CG2 THR 3 29.454 17.502 19.377 1.00 0.00 -ATOM 31 HG21 THR 3 29.639 18.576 19.375 1.00 0.00 -ATOM 32 HG22 THR 3 30.226 17.002 19.961 1.00 0.00 -ATOM 33 HG23 THR 3 29.474 17.128 18.353 1.00 0.00 -ATOM 34 OG1 THR 3 28.104 17.559 21.375 1.00 0.00 -ATOM 35 HG1 THR 3 28.846 17.121 21.798 1.00 0.00 -ATOM 36 C THR 3 25.562 17.557 19.926 1.00 0.00 -ATOM 37 O THR 3 24.978 18.396 20.612 1.00 0.00 -ATOM 38 N ASP 4 25.083 16.315 19.748 1.00 0.00 -ATOM 39 H ASP 4 25.624 15.699 19.158 1.00 0.00 -ATOM 40 CA ASP 4 23.813 15.819 20.294 1.00 0.00 -ATOM 41 HA ASP 4 23.001 16.486 20.005 1.00 0.00 -ATOM 42 CB ASP 4 23.506 14.402 19.751 1.00 0.00 -ATOM 43 HB2 ASP 4 24.263 13.729 20.154 1.00 0.00 -ATOM 44 HB3 ASP 4 22.527 14.121 20.140 1.00 0.00 -ATOM 45 CG ASP 4 23.496 14.302 18.223 1.00 0.00 -ATOM 46 OD1 ASP 4 24.178 13.389 17.708 1.00 0.00 -ATOM 47 OD2 ASP 4 22.803 15.134 17.597 1.00 0.00 -ATOM 48 C ASP 4 23.777 15.790 21.832 1.00 0.00 -ATOM 49 O ASP 4 22.729 16.075 22.409 1.00 0.00 -ATOM 50 N ASP 5 24.912 15.484 22.488 1.00 0.00 -ATOM 51 H ASP 5 25.698 15.227 21.909 1.00 0.00 -ATOM 52 CA ASP 5 25.067 15.407 23.944 1.00 0.00 -ATOM 53 HA ASP 5 24.296 14.772 24.380 1.00 0.00 -ATOM 54 CB ASP 5 26.454 14.793 24.264 1.00 0.00 -ATOM 55 HB2 ASP 5 26.453 13.775 23.873 1.00 0.00 -ATOM 56 HB3 ASP 5 27.188 15.389 23.722 1.00 0.00 -ATOM 57 CG ASP 5 26.817 14.768 25.755 1.00 0.00 -ATOM 58 OD1 ASP 5 27.645 15.614 26.158 1.00 0.00 -ATOM 59 OD2 ASP 5 26.250 13.907 26.461 1.00 0.00 -ATOM 60 C ASP 5 24.871 16.774 24.629 1.00 0.00 -ATOM 61 O ASP 5 24.104 16.876 25.586 1.00 0.00 -ATOM 62 N GLU 6 25.540 17.823 24.121 1.00 0.00 -ATOM 63 H GLU 6 26.201 17.634 23.381 1.00 0.00 -ATOM 64 CA GLU 6 25.457 19.187 24.646 1.00 0.00 -ATOM 65 HA GLU 6 25.388 19.184 25.734 1.00 0.00 -ATOM 66 CB GLU 6 26.747 19.938 24.234 1.00 0.00 -ATOM 67 HB2 GLU 6 26.907 20.682 25.014 1.00 0.00 -ATOM 68 HB3 GLU 6 27.540 19.191 24.277 1.00 0.00 -ATOM 69 CG GLU 6 26.764 20.627 22.855 1.00 0.00 -ATOM 70 HG2 GLU 6 26.335 19.933 22.133 1.00 0.00 -ATOM 71 HG3 GLU 6 26.160 21.534 22.890 1.00 0.00 -ATOM 72 CD GLU 6 28.192 20.982 22.434 1.00 0.00 -ATOM 73 OE1 GLU 6 28.643 20.419 21.412 1.00 0.00 -ATOM 74 OE2 GLU 6 28.817 21.791 23.153 1.00 0.00 -ATOM 75 C GLU 6 24.169 19.918 24.210 1.00 0.00 -ATOM 76 O GLU 6 23.892 20.990 24.744 1.00 0.00 -ATOM 77 N MET 7 23.367 19.328 23.304 1.00 0.00 -ATOM 78 H MET 7 23.737 18.493 22.872 1.00 0.00 -ATOM 79 CA MET 7 22.027 19.776 22.914 1.00 0.00 -ATOM 80 HA MET 7 21.919 20.851 23.060 1.00 0.00 -ATOM 81 CB MET 7 21.826 19.459 21.416 1.00 0.00 -ATOM 82 HB2 MET 7 22.189 18.447 21.239 1.00 0.00 -ATOM 83 HB3 MET 7 20.757 19.503 21.207 1.00 0.00 -ATOM 84 CG MET 7 22.569 20.438 20.493 1.00 0.00 -ATOM 85 HG2 MET 7 23.575 20.545 20.899 1.00 0.00 -ATOM 86 HG3 MET 7 22.622 19.963 19.514 1.00 0.00 -ATOM 87 SD MET 7 21.818 22.080 20.319 1.00 0.00 -ATOM 88 CE MET 7 20.407 21.679 19.257 1.00 0.00 -ATOM 89 HE1 MET 7 19.768 20.953 19.760 1.00 0.00 -ATOM 90 HE2 MET 7 19.836 22.585 19.053 1.00 0.00 -ATOM 91 HE3 MET 7 20.766 21.257 18.318 1.00 0.00 -ATOM 92 C MET 7 20.918 19.055 23.709 1.00 0.00 -ATOM 93 O MET 7 19.762 19.464 23.612 1.00 0.00 -ATOM 94 N THR 8 21.242 18.012 24.496 1.00 0.00 -ATOM 95 H THR 8 22.218 17.755 24.529 1.00 0.00 -ATOM 96 CA THR 8 20.296 17.257 25.323 1.00 0.00 -ATOM 97 HA THR 8 19.335 17.216 24.809 1.00 0.00 -ATOM 98 CB THR 8 20.825 15.806 25.505 1.00 0.00 -ATOM 99 HB THR 8 21.835 15.889 25.906 1.00 0.00 -ATOM 100 CG2 THR 8 19.975 14.917 26.434 1.00 0.00 -ATOM 101 HG21 THR 8 18.965 14.834 26.034 1.00 0.00 -ATOM 102 HG22 THR 8 20.423 13.925 26.498 1.00 0.00 -ATOM 103 HG23 THR 8 19.936 15.363 27.428 1.00 0.00 -ATOM 104 OG1 THR 8 20.816 15.157 24.251 1.00 0.00 -ATOM 105 HG1 THR 8 21.141 14.260 24.353 1.00 0.00 -ATOM 106 C THR 8 20.203 17.922 26.708 1.00 0.00 -ATOM 107 O THR 8 21.216 18.326 27.282 1.00 0.00 -ATOM 108 N GLY 9 18.978 17.990 27.251 1.00 0.00 -ATOM 109 H GLY 9 18.195 17.789 26.645 1.00 0.00 -ATOM 110 CA GLY 9 18.705 18.331 28.643 1.00 0.00 -ATOM 111 HA2 GLY 9 18.053 17.564 29.061 1.00 0.00 -ATOM 112 HA3 GLY 9 19.651 18.338 29.185 1.00 0.00 -ATOM 113 C GLY 9 18.032 19.694 28.799 1.00 0.00 -ATOM 114 O GLY 9 17.424 20.215 27.866 1.00 0.00 -ATOM 115 N TYR 10 18.151 20.268 30.003 1.00 0.00 -ATOM 116 H TYR 10 18.575 19.705 30.726 1.00 0.00 -ATOM 117 CA TYR 10 17.710 21.616 30.345 1.00 0.00 -ATOM 118 HA TYR 10 16.826 21.903 29.775 1.00 0.00 -ATOM 119 CB TYR 10 17.347 21.608 31.850 1.00 0.00 -ATOM 120 HB2 TYR 10 16.709 20.740 32.014 1.00 0.00 -ATOM 121 HB3 TYR 10 18.285 21.477 32.390 1.00 0.00 -ATOM 122 CG TYR 10 16.644 22.854 32.354 1.00 0.00 -ATOM 123 CD1 TYR 10 15.295 23.085 32.011 1.00 0.00 -ATOM 124 HD1 TYR 10 14.766 22.366 31.385 1.00 0.00 -ATOM 125 CE1 TYR 10 14.633 24.237 32.473 1.00 0.00 -ATOM 126 HE1 TYR 10 13.589 24.408 32.209 1.00 0.00 -ATOM 127 CZ TYR 10 15.319 25.170 33.274 1.00 0.00 -ATOM 128 OH TYR 10 14.679 26.292 33.713 1.00 0.00 -ATOM 129 HH TYR 10 13.767 26.344 33.417 1.00 0.00 -ATOM 130 CE2 TYR 10 16.666 24.942 33.623 1.00 0.00 -ATOM 131 HE2 TYR 10 17.197 25.663 34.244 1.00 0.00 -ATOM 132 CD2 TYR 10 17.325 23.783 33.169 1.00 0.00 -ATOM 133 HD2 TYR 10 18.363 23.602 33.447 1.00 0.00 -ATOM 134 C TYR 10 18.881 22.566 30.030 1.00 0.00 -ATOM 135 O TYR 10 19.682 22.889 30.908 1.00 0.00 -ATOM 136 N VAL 11 19.014 22.945 28.745 1.00 0.00 -ATOM 137 H VAL 11 18.286 22.632 28.119 1.00 0.00 -ATOM 138 CA VAL 11 20.184 23.615 28.170 1.00 0.00 -ATOM 139 HA VAL 11 20.745 24.228 28.875 1.00 0.00 -ATOM 140 CB VAL 11 21.158 22.590 27.517 1.00 0.00 -ATOM 141 HB VAL 11 21.924 23.152 26.982 1.00 0.00 -ATOM 142 CG1 VAL 11 21.827 21.664 28.548 1.00 0.00 -ATOM 143 HG11 VAL 11 21.062 21.102 29.083 1.00 0.00 -ATOM 144 HG12 VAL 11 22.495 20.971 28.036 1.00 0.00 -ATOM 145 HG13 VAL 11 22.399 22.262 29.257 1.00 0.00 -ATOM 146 CG2 VAL 11 20.524 21.752 26.388 1.00 0.00 -ATOM 147 HG21 VAL 11 20.176 22.414 25.595 1.00 0.00 -ATOM 148 HG22 VAL 11 21.266 21.063 25.985 1.00 0.00 -ATOM 149 HG23 VAL 11 19.681 21.186 26.784 1.00 0.00 -ATOM 150 C VAL 11 19.784 24.762 27.228 1.00 0.00 -ATOM 151 O VAL 11 18.929 24.592 26.357 1.00 0.00 -ATOM 152 N ALA 12 20.461 25.915 27.374 1.00 0.00 -ATOM 153 H ALA 12 21.131 25.924 28.129 1.00 0.00 -ATOM 154 CA ALA 12 20.306 27.130 26.567 1.00 0.00 -ATOM 155 HA ALA 12 19.247 27.382 26.502 1.00 0.00 -ATOM 156 CB ALA 12 21.039 28.273 27.283 1.00 0.00 -ATOM 157 HB1 ALA 12 22.102 28.040 27.347 1.00 0.00 -ATOM 158 HB2 ALA 12 20.904 29.199 26.724 1.00 0.00 -ATOM 159 HB3 ALA 12 20.633 28.393 28.287 1.00 0.00 -ATOM 160 C ALA 12 20.864 27.014 25.138 1.00 0.00 -ATOM 161 O ALA 12 20.627 27.900 24.318 1.00 0.00 -ATOM 162 N THR 13 21.560 25.911 24.821 1.00 0.00 -ATOM 163 H THR 13 21.794 25.305 25.594 1.00 0.00 -ATOM 164 CA THR 13 22.022 25.539 23.484 1.00 0.00 -ATOM 165 HA THR 13 22.503 26.359 22.951 1.00 0.00 -ATOM 166 CB THR 13 23.033 24.374 23.615 1.00 0.00 -ATOM 167 HB THR 13 23.314 24.077 22.605 1.00 0.00 -ATOM 168 CG2 THR 13 24.296 24.727 24.415 1.00 0.00 -ATOM 169 HG21 THR 13 24.016 25.023 25.426 1.00 0.00 -ATOM 170 HG22 THR 13 24.953 23.858 24.461 1.00 0.00 -ATOM 171 HG23 THR 13 24.817 25.551 23.927 1.00 0.00 -ATOM 172 OG1 THR 13 22.401 23.258 24.205 1.00 0.00 -ATOM 173 HG1 THR 13 23.031 22.538 24.284 1.00 0.00 -ATOM 174 C THR 13 20.866 25.115 22.553 1.00 0.00 -ATOM 175 O THR 13 21.049 25.155 21.336 1.00 0.00 -ATOM 176 N ARG 14 19.683 24.773 23.102 1.00 0.00 -ATOM 177 H ARG 14 19.645 24.744 24.111 1.00 0.00 -ATOM 178 CA ARG 14 18.513 24.319 22.350 1.00 0.00 -ATOM 179 HA ARG 14 18.694 24.403 21.278 1.00 0.00 -ATOM 180 CB ARG 14 18.233 22.840 22.689 1.00 0.00 -ATOM 181 HB2 ARG 14 19.188 22.316 22.644 1.00 0.00 -ATOM 182 HB3 ARG 14 17.852 22.813 23.710 1.00 0.00 -ATOM 183 CG ARG 14 17.222 22.151 21.744 1.00 0.00 -ATOM 184 HG2 ARG 14 16.369 22.820 21.627 1.00 0.00 -ATOM 185 HG3 ARG 14 17.711 22.014 20.780 1.00 0.00 -ATOM 186 CD ARG 14 16.739 20.797 22.268 1.00 0.00 -ATOM 187 HD2 ARG 14 16.160 20.280 21.503 1.00 0.00 -ATOM 188 HD3 ARG 14 17.588 20.179 22.560 1.00 0.00 -ATOM 189 NE ARG 14 15.886 21.006 23.440 1.00 0.00 -ATOM 190 HE ARG 14 14.948 21.320 23.238 1.00 0.00 -ATOM 191 CZ ARG 14 16.229 20.794 24.719 1.00 0.00 -ATOM 192 NH1 ARG 14 17.378 20.201 25.057 1.00 0.00 -ATOM 193 HH11 ARG 14 18.017 19.898 24.336 1.00 0.00 -ATOM 194 HH12 ARG 14 17.602 20.059 26.032 1.00 0.00 -ATOM 195 NH2 ARG 14 15.407 21.217 25.682 1.00 0.00 -ATOM 196 HH21 ARG 14 14.547 21.686 25.437 1.00 0.00 -ATOM 197 HH22 ARG 14 15.649 21.066 26.651 1.00 0.00 -ATOM 198 C ARG 14 17.277 25.221 22.548 1.00 0.00 -ATOM 199 O ARG 14 16.416 25.234 21.670 1.00 0.00 -ATOM 200 N TRP 15 17.172 25.985 23.654 1.00 0.00 -ATOM 201 H TRP 15 17.933 25.919 24.315 1.00 0.00 -ATOM 202 CA TRP 15 15.999 26.804 24.017 1.00 0.00 -ATOM 203 HA TRP 15 15.113 26.173 24.086 1.00 0.00 -ATOM 204 CB TRP 15 16.226 27.487 25.382 1.00 0.00 -ATOM 205 HB2 TRP 15 17.173 28.024 25.340 1.00 0.00 -ATOM 206 HB3 TRP 15 15.413 28.196 25.538 1.00 0.00 -ATOM 207 CG TRP 15 16.279 26.617 26.606 1.00 0.00 -ATOM 208 CD1 TRP 15 15.827 25.345 26.721 1.00 0.00 -ATOM 209 HD1 TRP 15 15.365 24.898 25.841 1.00 0.00 -ATOM 210 NE1 TRP 15 16.068 24.879 27.997 1.00 0.00 -ATOM 211 HE1 TRP 15 15.812 23.950 28.301 1.00 0.00 -ATOM 212 CE2 TRP 15 16.699 25.828 28.771 1.00 0.00 -ATOM 213 CZ2 TRP 15 17.173 25.835 30.092 1.00 0.00 -ATOM 214 HZ2 TRP 15 17.030 24.918 30.664 1.00 0.00 -ATOM 215 CH2 TRP 15 17.791 26.990 30.600 1.00 0.00 -ATOM 216 HH2 TRP 15 18.174 27.023 31.620 1.00 0.00 -ATOM 217 CZ3 TRP 15 17.922 28.130 29.785 1.00 0.00 -ATOM 218 HZ3 TRP 15 18.390 29.045 30.149 1.00 0.00 -ATOM 219 CE3 TRP 15 17.444 28.114 28.459 1.00 0.00 -ATOM 220 HE3 TRP 15 17.592 29.033 27.892 1.00 0.00 -ATOM 221 CD2 TRP 15 16.831 26.962 27.913 1.00 0.00 -ATOM 222 C TRP 15 15.551 27.855 22.982 1.00 0.00 -ATOM 223 O TRP 15 14.366 28.182 22.936 1.00 0.00 -ATOM 224 N TYR 16 16.472 28.366 22.152 1.00 0.00 -ATOM 225 H TYR 16 17.413 28.009 22.242 1.00 0.00 -ATOM 226 CA TYR 16 16.219 29.418 21.162 1.00 0.00 -ATOM 227 HA TYR 16 15.269 29.914 21.361 1.00 0.00 -ATOM 228 CB TYR 16 17.353 30.468 21.252 1.00 0.00 -ATOM 229 HB2 TYR 16 18.252 29.946 20.923 1.00 0.00 -ATOM 230 HB3 TYR 16 17.141 31.291 20.570 1.00 0.00 -ATOM 231 CG TYR 16 17.570 31.015 22.653 1.00 0.00 -ATOM 232 CD1 TYR 16 18.461 30.358 23.525 1.00 0.00 -ATOM 233 HD1 TYR 16 19.048 29.517 23.156 1.00 0.00 -ATOM 234 CE1 TYR 16 18.596 30.777 24.858 1.00 0.00 -ATOM 235 HE1 TYR 16 19.275 30.254 25.531 1.00 0.00 -ATOM 236 CZ TYR 16 17.853 31.874 25.323 1.00 0.00 -ATOM 237 OH TYR 16 17.971 32.252 26.625 1.00 0.00 -ATOM 238 HH TYR 16 18.582 31.702 27.121 1.00 0.00 -ATOM 239 CE2 TYR 16 16.998 32.570 24.445 1.00 0.00 -ATOM 240 HE2 TYR 16 16.450 33.444 24.797 1.00 0.00 -ATOM 241 CD2 TYR 16 16.851 32.136 23.113 1.00 0.00 -ATOM 242 HD2 TYR 16 16.181 32.667 22.437 1.00 0.00 -ATOM 243 C TYR 16 16.137 28.845 19.732 1.00 0.00 -ATOM 244 O TYR 16 15.974 29.615 18.787 1.00 0.00 -ATOM 245 N ARG 17 16.218 27.511 19.559 1.00 0.00 -ATOM 246 H ARG 17 16.298 26.951 20.396 1.00 0.00 -ATOM 247 CA ARG 17 16.133 26.823 18.268 1.00 0.00 -ATOM 248 HA ARG 17 16.710 27.365 17.518 1.00 0.00 -ATOM 249 CB ARG 17 16.703 25.390 18.390 1.00 0.00 -ATOM 250 HB2 ARG 17 16.104 24.880 19.145 1.00 0.00 -ATOM 251 HB3 ARG 17 16.552 24.911 17.422 1.00 0.00 -ATOM 252 CG ARG 17 18.189 25.310 18.775 1.00 0.00 -ATOM 253 HG2 ARG 17 18.339 25.998 19.607 1.00 0.00 -ATOM 254 HG3 ARG 17 18.376 24.290 19.110 1.00 0.00 -ATOM 255 CD ARG 17 19.159 25.661 17.640 1.00 0.00 -ATOM 256 HD2 ARG 17 18.704 26.418 17.001 1.00 0.00 -ATOM 257 HD3 ARG 17 20.083 26.053 18.066 1.00 0.00 -ATOM 258 NE ARG 17 19.481 24.484 16.819 1.00 0.00 -ATOM 259 HE ARG 17 18.685 23.919 16.560 1.00 0.00 -ATOM 260 CZ ARG 17 20.700 24.108 16.394 1.00 0.00 -ATOM 261 NH1 ARG 17 21.809 24.787 16.723 1.00 0.00 -ATOM 262 HH11 ARG 17 21.740 25.608 17.307 1.00 0.00 -ATOM 263 HH12 ARG 17 22.708 24.474 16.385 1.00 0.00 -ATOM 264 NH2 ARG 17 20.807 23.019 15.622 1.00 0.00 -ATOM 265 HH21 ARG 17 19.979 22.498 15.371 1.00 0.00 -ATOM 266 HH22 ARG 17 21.715 22.723 15.294 1.00 0.00 -ATOM 267 C ARG 17 14.664 26.667 17.850 1.00 0.00 -ATOM 268 O ARG 17 13.826 26.271 18.660 1.00 0.00 -ATOM 269 N ALA 18 14.375 26.920 16.564 1.00 0.00 -ATOM 270 H ALA 18 15.111 27.345 16.019 1.00 0.00 -ATOM 271 CA ALA 18 13.086 26.676 15.917 1.00 0.00 -ATOM 272 HA ALA 18 12.275 27.138 16.480 1.00 0.00 -ATOM 273 CB ALA 18 13.122 27.294 14.509 1.00 0.00 -ATOM 274 HB1 ALA 18 13.924 26.835 13.931 1.00 0.00 -ATOM 275 HB2 ALA 18 12.169 27.119 14.010 1.00 0.00 -ATOM 276 HB3 ALA 18 13.299 28.367 14.587 1.00 0.00 -ATOM 277 C ALA 18 12.789 25.163 15.859 1.00 0.00 -ATOM 278 O ALA 18 13.727 24.368 15.791 1.00 0.00 -ATOM 279 N PRO 19 11.512 24.729 15.919 1.00 0.00 -ATOM 280 CD PRO 19 10.316 25.571 15.921 1.00 0.00 -ATOM 281 HD2 PRO 19 10.345 26.207 15.036 1.00 0.00 -ATOM 282 HD3 PRO 19 10.338 26.193 16.816 1.00 0.00 -ATOM 283 CG PRO 19 9.132 24.606 15.912 1.00 0.00 -ATOM 284 HG2 PRO 19 8.753 24.493 14.896 1.00 0.00 -ATOM 285 HG3 PRO 19 8.338 24.987 16.555 1.00 0.00 -ATOM 286 CB PRO 19 9.682 23.296 16.448 1.00 0.00 -ATOM 287 HB2 PRO 19 9.197 22.412 16.032 1.00 0.00 -ATOM 288 HB3 PRO 19 9.582 23.288 17.533 1.00 0.00 -ATOM 289 CA PRO 19 11.165 23.308 16.060 1.00 0.00 -ATOM 290 HA PRO 19 11.730 22.933 16.913 1.00 0.00 -ATOM 291 C PRO 19 11.462 22.435 14.824 1.00 0.00 -ATOM 292 O PRO 19 11.623 21.226 14.984 1.00 0.00 -ATOM 293 N GLU 20 11.600 23.030 13.624 1.00 0.00 -ATOM 294 H GLU 20 11.366 24.011 13.568 1.00 0.00 -ATOM 295 CA GLU 20 11.965 22.333 12.391 1.00 0.00 -ATOM 296 HA GLU 20 11.527 21.335 12.382 1.00 0.00 -ATOM 297 CB GLU 20 11.435 23.117 11.163 1.00 0.00 -ATOM 298 HB2 GLU 20 11.455 22.391 10.350 1.00 0.00 -ATOM 299 HB3 GLU 20 10.401 23.349 11.417 1.00 0.00 -ATOM 300 CG GLU 20 12.161 24.413 10.716 1.00 0.00 -ATOM 301 HG2 GLU 20 13.232 24.243 10.824 1.00 0.00 -ATOM 302 HG3 GLU 20 11.916 24.527 9.660 1.00 0.00 -ATOM 303 CD GLU 20 11.767 25.686 11.472 1.00 0.00 -ATOM 304 OE1 GLU 20 12.224 26.760 11.027 1.00 0.00 -ATOM 305 OE2 GLU 20 11.002 25.601 12.457 1.00 0.00 -ATOM 306 C GLU 20 13.477 22.061 12.251 1.00 0.00 -ATOM 307 O GLU 20 13.829 21.147 11.507 1.00 0.00 -ATOM 308 N ILE 21 14.357 22.795 12.960 1.00 0.00 -ATOM 309 H ILE 21 14.001 23.617 13.426 1.00 0.00 -ATOM 310 CA ILE 21 15.805 22.532 13.018 1.00 0.00 -ATOM 311 HA ILE 21 16.175 21.813 12.287 1.00 0.00 -ATOM 312 CB ILE 21 16.607 23.868 12.887 1.00 0.00 -ATOM 313 HB ILE 21 16.356 24.298 11.918 1.00 0.00 -ATOM 314 CG2 ILE 21 16.310 24.894 13.996 1.00 0.00 -ATOM 315 HG21 ILE 21 16.561 24.464 14.966 1.00 0.00 -ATOM 316 HG22 ILE 21 16.907 25.791 13.831 1.00 0.00 -ATOM 317 HG23 ILE 21 15.252 25.154 13.977 1.00 0.00 -ATOM 318 CG1 ILE 21 18.131 23.631 12.741 1.00 0.00 -ATOM 319 HG12 ILE 21 18.488 23.264 13.703 1.00 0.00 -ATOM 320 HG13 ILE 21 18.260 22.856 11.986 1.00 0.00 -ATOM 321 CD1 ILE 21 18.935 24.877 12.338 1.00 0.00 -ATOM 322 HD11 ILE 21 18.807 25.653 13.093 1.00 0.00 -ATOM 323 HD12 ILE 21 19.991 24.619 12.259 1.00 0.00 -ATOM 324 HD13 ILE 21 18.579 25.245 11.376 1.00 0.00 -ATOM 325 C ILE 21 16.172 21.761 14.307 1.00 0.00 -ATOM 326 O ILE 21 17.204 21.090 14.334 1.00 0.00 -ATOM 327 N MET 22 15.324 21.813 15.351 1.00 0.00 -ATOM 328 H MET 22 14.508 22.397 15.237 1.00 0.00 -ATOM 329 CA MET 22 15.492 21.094 16.617 1.00 0.00 -ATOM 330 HA MET 22 16.503 21.219 17.005 1.00 0.00 -ATOM 331 CB MET 22 14.494 21.682 17.642 1.00 0.00 -ATOM 332 HB2 MET 22 14.655 22.760 17.659 1.00 0.00 -ATOM 333 HB3 MET 22 13.493 21.470 17.267 1.00 0.00 -ATOM 334 CG MET 22 14.637 21.121 19.066 1.00 0.00 -ATOM 335 HG2 MET 22 14.423 20.054 19.010 1.00 0.00 -ATOM 336 HG3 MET 22 15.675 21.268 19.363 1.00 0.00 -ATOM 337 SD MET 22 13.550 21.883 20.301 1.00 0.00 -ATOM 338 CE MET 22 11.950 21.157 19.855 1.00 0.00 -ATOM 339 HE1 MET 22 12.007 20.072 19.938 1.00 0.00 -ATOM 340 HE2 MET 22 11.180 21.532 20.529 1.00 0.00 -ATOM 341 HE3 MET 22 11.700 21.430 18.830 1.00 0.00 -ATOM 342 C MET 22 15.208 19.592 16.438 1.00 0.00 -ATOM 343 O MET 22 15.972 18.767 16.937 1.00 0.00 -ATOM 344 N LEU 23 14.111 19.254 15.741 1.00 0.00 -ATOM 345 H LEU 23 13.594 20.016 15.327 1.00 0.00 -ATOM 346 CA LEU 23 13.613 17.891 15.547 1.00 0.00 -ATOM 347 HA LEU 23 14.109 17.193 16.221 1.00 0.00 -ATOM 348 CB LEU 23 12.103 17.889 15.860 1.00 0.00 -ATOM 349 HB2 LEU 23 11.702 18.653 15.194 1.00 0.00 -ATOM 350 HB3 LEU 23 11.672 16.921 15.603 1.00 0.00 -ATOM 351 CG LEU 23 11.745 18.240 17.321 1.00 0.00 -ATOM 352 HG LEU 23 12.361 19.080 17.643 1.00 0.00 -ATOM 353 CD1 LEU 23 10.266 18.617 17.442 1.00 0.00 -ATOM 354 HD11 LEU 23 9.649 17.778 17.121 1.00 0.00 -ATOM 355 HD12 LEU 23 10.036 18.860 18.479 1.00 0.00 -ATOM 356 HD13 LEU 23 10.058 19.482 16.812 1.00 0.00 -ATOM 357 CD2 LEU 23 12.091 17.105 18.297 1.00 0.00 -ATOM 358 HD21 LEU 23 13.161 16.900 18.253 1.00 0.00 -ATOM 359 HD22 LEU 23 11.820 17.401 19.310 1.00 0.00 -ATOM 360 HD23 LEU 23 11.538 16.207 18.021 1.00 0.00 -ATOM 361 C LEU 23 13.832 17.387 14.109 1.00 0.00 -ATOM 362 O LEU 23 13.554 16.219 13.838 1.00 0.00 -ATOM 363 N ASN 24 14.331 18.244 13.198 1.00 0.00 -ATOM 364 H ASN 24 14.243 19.217 13.454 1.00 0.00 -ATOM 365 CA ASN 24 14.781 17.919 11.837 1.00 0.00 -ATOM 366 HA ASN 24 15.117 18.836 11.352 1.00 0.00 -ATOM 367 CB ASN 24 15.947 16.892 11.818 1.00 0.00 -ATOM 368 HB2 ASN 24 15.597 15.944 12.227 1.00 0.00 -ATOM 369 HB3 ASN 24 16.247 16.750 10.780 1.00 0.00 -ATOM 370 CG ASN 24 17.168 17.352 12.622 1.00 0.00 -ATOM 371 OD1 ASN 24 17.368 16.924 13.756 1.00 0.00 -ATOM 372 ND2 ASN 24 17.999 18.211 12.029 1.00 0.00 -ATOM 373 HD21 ASN 24 18.816 18.540 12.522 1.00 0.00 -ATOM 374 HD22 ASN 24 17.807 18.528 11.089 1.00 0.00 -ATOM 375 C ASN 24 13.607 17.549 10.910 1.00 0.00 -ATOM 376 O ASN 24 13.634 16.514 10.244 1.00 0.00 -ATOM 377 N TRP 25 12.562 18.392 10.898 1.00 0.00 -ATOM 378 H TRP 25 12.665 19.239 11.439 1.00 0.00 -ATOM 379 CA TRP 25 11.314 18.187 10.158 1.00 0.00 -ATOM 380 HA TRP 25 10.905 17.197 10.360 1.00 0.00 -ATOM 381 CB TRP 25 10.288 19.248 10.615 1.00 0.00 -ATOM 382 HB2 TRP 25 10.773 20.223 10.568 1.00 0.00 -ATOM 383 HB3 TRP 25 9.452 19.225 9.916 1.00 0.00 -ATOM 384 CG TRP 25 9.699 19.127 11.993 1.00 0.00 -ATOM 385 CD1 TRP 25 9.982 18.171 12.908 1.00 0.00 -ATOM 386 HD1 TRP 25 10.709 17.409 12.626 1.00 0.00 -ATOM 387 NE1 TRP 25 9.246 18.390 14.053 1.00 0.00 -ATOM 388 HE1 TRP 25 9.288 17.778 14.855 1.00 0.00 -ATOM 389 CE2 TRP 25 8.471 19.523 13.952 1.00 0.00 -ATOM 390 CZ2 TRP 25 7.603 20.177 14.842 1.00 0.00 -ATOM 391 HZ2 TRP 25 7.521 19.754 15.843 1.00 0.00 -ATOM 392 CH2 TRP 25 6.901 21.316 14.410 1.00 0.00 -ATOM 393 HH2 TRP 25 6.208 21.840 15.069 1.00 0.00 -ATOM 394 CZ3 TRP 25 7.092 21.795 13.101 1.00 0.00 -ATOM 395 HZ3 TRP 25 6.552 22.666 12.729 1.00 0.00 -ATOM 396 CE3 TRP 25 7.997 21.154 12.228 1.00 0.00 -ATOM 397 HE3 TRP 25 8.105 21.607 11.243 1.00 0.00 -ATOM 398 CD2 TRP 25 8.713 20.001 12.628 1.00 0.00 -ATOM 399 C TRP 25 11.487 18.338 8.639 1.00 0.00 -ATOM 400 O TRP 25 10.830 17.629 7.879 1.00 0.00 -ATOM 401 N MET 26 12.347 19.276 8.214 1.00 0.00 -ATOM 402 H MET 26 12.820 19.789 8.944 1.00 0.00 -ATOM 403 CA MET 26 12.549 19.696 6.831 1.00 0.00 -ATOM 404 HA MET 26 12.586 18.826 6.176 1.00 0.00 -ATOM 405 CB MET 26 11.377 20.604 6.383 1.00 0.00 -ATOM 406 HB2 MET 26 11.501 20.784 5.315 1.00 0.00 -ATOM 407 HB3 MET 26 10.456 20.045 6.552 1.00 0.00 -ATOM 408 CG MET 26 11.303 21.952 7.125 1.00 0.00 -ATOM 409 HG2 MET 26 11.450 21.740 8.184 1.00 0.00 -ATOM 410 HG3 MET 26 12.129 22.562 6.759 1.00 0.00 -ATOM 411 SD MET 26 9.751 22.860 6.909 1.00 0.00 -ATOM 412 CE MET 26 8.703 21.992 8.105 1.00 0.00 -ATOM 413 HE1 MET 26 9.134 22.086 9.102 1.00 0.00 -ATOM 414 HE2 MET 26 7.705 22.429 8.099 1.00 0.00 -ATOM 415 HE3 MET 26 8.639 20.938 7.835 1.00 0.00 -ATOM 416 C MET 26 13.932 20.335 6.650 1.00 0.00 -ATOM 417 O MET 26 14.631 20.606 7.630 1.00 0.00 -ATOM 418 N HID 27 14.296 20.632 5.390 1.00 0.00 -ATOM 419 H HID 27 13.755 20.223 4.641 1.00 0.00 -ATOM 420 CA HID 27 15.429 21.487 5.040 1.00 0.00 -ATOM 421 HA HID 27 16.314 21.192 5.604 1.00 0.00 -ATOM 422 CB HID 27 15.734 21.344 3.531 1.00 0.00 -ATOM 423 HB2 HID 27 16.012 20.305 3.352 1.00 0.00 -ATOM 424 HB3 HID 27 14.870 21.600 2.917 1.00 0.00 -ATOM 425 CG HID 27 16.885 22.192 3.034 1.00 0.00 -ATOM 426 ND1 HID 27 16.744 23.525 2.686 1.00 0.00 -ATOM 427 HD1 HID 27 15.887 24.059 2.684 1.00 0.00 -ATOM 428 CE1 HID 27 17.953 23.981 2.351 1.00 0.00 -ATOM 429 HE1 HID 27 18.002 25.030 2.058 1.00 0.00 -ATOM 430 NE2 HID 27 18.901 23.055 2.437 1.00 0.00 -ATOM 431 CD2 HID 27 18.225 21.911 2.870 1.00 0.00 -ATOM 432 HD2 HID 27 18.772 20.981 3.025 1.00 0.00 -ATOM 433 C HID 27 15.061 22.938 5.391 1.00 0.00 -ATOM 434 O HID 27 14.170 23.529 4.777 1.00 0.00 -ATOM 435 N TYR 28 15.745 23.484 6.404 1.00 0.00 -ATOM 436 H TYR 28 16.456 22.905 6.828 1.00 0.00 -ATOM 437 CA TYR 28 15.513 24.812 6.960 1.00 0.00 -ATOM 438 HA TYR 28 14.450 25.053 6.964 1.00 0.00 -ATOM 439 CB TYR 28 16.026 24.820 8.417 1.00 0.00 -ATOM 440 HB2 TYR 28 15.798 25.809 8.815 1.00 0.00 -ATOM 441 HB3 TYR 28 15.417 24.074 8.927 1.00 0.00 -ATOM 442 CG TYR 28 17.500 24.511 8.641 1.00 0.00 -ATOM 443 CD1 TYR 28 18.468 25.538 8.581 1.00 0.00 -ATOM 444 HD1 TYR 28 18.162 26.560 8.360 1.00 0.00 -ATOM 445 CE1 TYR 28 19.827 25.243 8.806 1.00 0.00 -ATOM 446 HE1 TYR 28 20.574 26.033 8.735 1.00 0.00 -ATOM 447 CZ TYR 28 20.222 23.925 9.110 1.00 0.00 -ATOM 448 OH TYR 28 21.533 23.642 9.361 1.00 0.00 -ATOM 449 HH TYR 28 22.101 24.414 9.304 1.00 0.00 -ATOM 450 CE2 TYR 28 19.259 22.899 9.167 1.00 0.00 -ATOM 451 HE2 TYR 28 19.566 21.878 9.392 1.00 0.00 -ATOM 452 CD2 TYR 28 17.902 23.191 8.934 1.00 0.00 -ATOM 453 HD2 TYR 28 17.158 22.396 8.980 1.00 0.00 -ATOM 454 C TYR 28 16.203 25.916 6.139 1.00 0.00 -ATOM 455 O TYR 28 17.026 25.648 5.262 1.00 0.00 -ATOM 456 N ASN 29 15.843 27.169 6.449 1.00 0.00 -ATOM 457 H ASN 29 15.059 27.231 7.083 1.00 0.00 -ATOM 458 CA ASN 29 16.294 28.392 5.782 1.00 0.00 -ATOM 459 HA ASN 29 17.312 28.256 5.416 1.00 0.00 -ATOM 460 CB ASN 29 15.375 28.734 4.578 1.00 0.00 -ATOM 461 HB2 ASN 29 15.717 29.680 4.157 1.00 0.00 -ATOM 462 HB3 ASN 29 15.491 27.944 3.836 1.00 0.00 -ATOM 463 CG ASN 29 13.890 28.863 4.928 1.00 0.00 -ATOM 464 OD1 ASN 29 13.487 29.856 5.525 1.00 0.00 -ATOM 465 ND2 ASN 29 13.077 27.870 4.563 1.00 0.00 -ATOM 466 HD21 ASN 29 12.092 27.923 4.778 1.00 0.00 -ATOM 467 HD22 ASN 29 13.451 27.070 4.073 1.00 0.00 -ATOM 468 C ASN 29 16.579 29.513 6.799 1.00 0.00 -ATOM 469 O ASN 29 16.736 29.241 7.989 1.00 0.00 -ATOM 470 N GLN 30 16.673 30.770 6.331 1.00 0.00 -ATOM 471 H GLN 30 16.503 30.859 5.339 1.00 0.00 -ATOM 472 CA GLN 30 17.002 31.985 7.095 1.00 0.00 -ATOM 473 HA GLN 30 17.984 31.902 7.562 1.00 0.00 -ATOM 474 CB GLN 30 17.024 33.169 6.111 1.00 0.00 -ATOM 475 HB2 GLN 30 16.072 33.162 5.580 1.00 0.00 -ATOM 476 HB3 GLN 30 17.100 34.079 6.706 1.00 0.00 -ATOM 477 CG GLN 30 18.180 33.123 5.094 1.00 0.00 -ATOM 478 HG2 GLN 30 19.109 33.335 5.624 1.00 0.00 -ATOM 479 HG3 GLN 30 18.233 32.128 4.653 1.00 0.00 -ATOM 480 CD GLN 30 18.013 34.148 3.970 1.00 0.00 -ATOM 481 OE1 GLN 30 17.185 35.053 4.050 1.00 0.00 -ATOM 482 NE2 GLN 30 18.797 33.997 2.905 1.00 0.00 -ATOM 483 HE21 GLN 30 18.727 34.646 2.134 1.00 0.00 -ATOM 484 HE22 GLN 30 19.458 33.234 2.872 1.00 0.00 -ATOM 485 C GLN 30 16.019 32.323 8.231 1.00 0.00 -ATOM 486 O GLN 30 16.380 33.032 9.170 1.00 0.00 -ATOM 487 N THR 31 14.779 31.822 8.137 1.00 0.00 -ATOM 488 H THR 31 14.612 31.251 7.320 1.00 0.00 -ATOM 489 CA THR 31 13.663 32.071 9.048 1.00 0.00 -ATOM 490 HA THR 31 13.559 33.114 9.347 1.00 0.00 -ATOM 491 CB THR 31 12.362 31.628 8.337 1.00 0.00 -ATOM 492 HB THR 31 11.539 31.800 9.031 1.00 0.00 -ATOM 493 CG2 THR 31 12.087 32.375 7.022 1.00 0.00 -ATOM 494 HG21 THR 31 12.909 32.203 6.327 1.00 0.00 -ATOM 495 HG22 THR 31 11.159 32.009 6.583 1.00 0.00 -ATOM 496 HG23 THR 31 11.998 33.443 7.222 1.00 0.00 -ATOM 497 OG1 THR 31 12.376 30.240 8.088 1.00 0.00 -ATOM 498 HG1 THR 31 11.562 29.986 7.647 1.00 0.00 -ATOM 499 C THR 31 13.802 31.365 10.416 1.00 0.00 -ATOM 500 O THR 31 13.031 31.681 11.322 1.00 0.00 -ATOM 501 N VAL 32 14.791 30.465 10.598 1.00 0.00 -ATOM 502 H VAL 32 15.274 30.141 9.772 1.00 0.00 -ATOM 503 CA VAL 32 15.160 29.880 11.895 1.00 0.00 -ATOM 504 HA VAL 32 14.341 29.539 12.529 1.00 0.00 -ATOM 505 CB VAL 32 16.166 28.707 11.708 1.00 0.00 -ATOM 506 HB VAL 32 16.441 28.339 12.696 1.00 0.00 -ATOM 507 CG1 VAL 32 15.580 27.561 10.882 1.00 0.00 -ATOM 508 HG11 VAL 32 15.305 27.929 9.893 1.00 0.00 -ATOM 509 HG12 VAL 32 16.322 26.769 10.781 1.00 0.00 -ATOM 510 HG13 VAL 32 14.695 27.168 11.382 1.00 0.00 -ATOM 511 CG2 VAL 32 17.562 29.107 11.191 1.00 0.00 -ATOM 512 HG21 VAL 32 18.025 29.800 11.893 1.00 0.00 -ATOM 513 HG22 VAL 32 18.184 28.217 11.096 1.00 0.00 -ATOM 514 HG23 VAL 32 17.466 29.587 10.217 1.00 0.00 -ATOM 515 C VAL 32 15.745 30.948 12.842 1.00 0.00 -ATOM 516 O VAL 32 15.514 30.888 14.048 1.00 0.00 -ATOM 517 N ASP 33 16.456 31.946 12.288 1.00 0.00 -ATOM 518 H ASP 33 16.571 31.909 11.285 1.00 0.00 -ATOM 519 CA ASP 33 17.079 33.051 13.017 1.00 0.00 -ATOM 520 HA ASP 33 17.597 32.670 13.897 1.00 0.00 -ATOM 521 CB ASP 33 18.107 33.779 12.114 1.00 0.00 -ATOM 522 HB2 ASP 33 17.507 34.239 11.329 1.00 0.00 -ATOM 523 HB3 ASP 33 18.568 34.557 12.722 1.00 0.00 -ATOM 524 CG ASP 33 19.202 32.910 11.478 1.00 0.00 -ATOM 525 OD1 ASP 33 19.434 31.778 11.952 1.00 0.00 -ATOM 526 OD2 ASP 33 19.827 33.413 10.521 1.00 0.00 -ATOM 527 C ASP 33 16.045 34.082 13.503 1.00 0.00 -ATOM 528 O ASP 33 16.307 34.775 14.480 1.00 0.00 -ATOM 529 N ILE 34 14.865 34.163 12.863 1.00 0.00 -ATOM 530 H ILE 34 14.761 33.596 12.034 1.00 0.00 -ATOM 531 CA ILE 34 13.749 35.028 13.259 1.00 0.00 -ATOM 532 HA ILE 34 14.015 36.015 13.637 1.00 0.00 -ATOM 533 CB ILE 34 12.777 35.179 12.055 1.00 0.00 -ATOM 534 HB ILE 34 12.559 34.175 11.691 1.00 0.00 -ATOM 535 CG2 ILE 34 11.456 35.900 12.398 1.00 0.00 -ATOM 536 HG21 ILE 34 11.673 36.904 12.762 1.00 0.00 -ATOM 537 HG22 ILE 34 10.834 35.965 11.505 1.00 0.00 -ATOM 538 HG23 ILE 34 10.926 35.341 13.169 1.00 0.00 -ATOM 539 CG1 ILE 34 13.461 35.815 10.817 1.00 0.00 -ATOM 540 HG12 ILE 34 14.297 35.165 10.559 1.00 0.00 -ATOM 541 HG13 ILE 34 12.725 35.795 10.014 1.00 0.00 -ATOM 542 CD1 ILE 34 13.971 37.254 11.010 1.00 0.00 -ATOM 543 HD11 ILE 34 14.708 37.274 11.813 1.00 0.00 -ATOM 544 HD12 ILE 34 14.431 37.604 10.086 1.00 0.00 -ATOM 545 HD13 ILE 34 13.135 37.905 11.268 1.00 0.00 -ATOM 546 C ILE 34 13.010 34.442 14.477 1.00 0.00 -ATOM 547 O ILE 34 12.578 35.208 15.339 1.00 0.00 -ATOM 548 N TRP 35 12.899 33.103 14.574 1.00 0.00 -ATOM 549 H TRP 35 13.209 32.551 13.787 1.00 0.00 -ATOM 550 CA TRP 35 12.340 32.406 15.735 1.00 0.00 -ATOM 551 HA TRP 35 11.345 32.791 15.960 1.00 0.00 -ATOM 552 CB TRP 35 12.229 30.898 15.437 1.00 0.00 -ATOM 553 HB2 TRP 35 11.641 30.731 14.534 1.00 0.00 -ATOM 554 HB3 TRP 35 13.233 30.497 15.296 1.00 0.00 -ATOM 555 CG TRP 35 11.589 30.082 16.524 1.00 0.00 -ATOM 556 CD1 TRP 35 12.226 29.569 17.603 1.00 0.00 -ATOM 557 HD1 TRP 35 13.300 29.739 17.677 1.00 0.00 -ATOM 558 NE1 TRP 35 11.320 28.911 18.408 1.00 0.00 -ATOM 559 HE1 TRP 35 11.581 28.457 19.272 1.00 0.00 -ATOM 560 CE2 TRP 35 10.048 28.959 17.882 1.00 0.00 -ATOM 561 CZ2 TRP 35 8.810 28.456 18.313 1.00 0.00 -ATOM 562 HZ2 TRP 35 8.805 27.912 19.257 1.00 0.00 -ATOM 563 CH2 TRP 35 7.667 28.674 17.525 1.00 0.00 -ATOM 564 HH2 TRP 35 6.692 28.293 17.828 1.00 0.00 -ATOM 565 CZ3 TRP 35 7.774 29.395 16.323 1.00 0.00 -ATOM 566 HZ3 TRP 35 6.906 29.579 15.690 1.00 0.00 -ATOM 567 CE3 TRP 35 9.019 29.903 15.902 1.00 0.00 -ATOM 568 HE3 TRP 35 9.011 30.467 14.969 1.00 0.00 -ATOM 569 CD2 TRP 35 10.190 29.696 16.667 1.00 0.00 -ATOM 570 C TRP 35 13.222 32.618 16.977 1.00 0.00 -ATOM 571 O TRP 35 12.693 32.804 18.073 1.00 0.00 -ATOM 572 N SER 36 14.554 32.626 16.789 1.00 0.00 -ATOM 573 H SER 36 14.877 32.444 15.849 1.00 0.00 -ATOM 574 CA SER 36 15.550 32.855 17.830 1.00 0.00 -ATOM 575 HA SER 36 15.402 32.158 18.655 1.00 0.00 -ATOM 576 CB SER 36 16.957 32.639 17.250 1.00 0.00 -ATOM 577 HB2 SER 36 17.096 33.328 16.417 1.00 0.00 -ATOM 578 HB3 SER 36 17.688 32.858 18.028 1.00 0.00 -ATOM 579 OG SER 36 17.134 31.313 16.798 1.00 0.00 -ATOM 580 HG SER 36 18.020 31.212 16.443 1.00 0.00 -ATOM 581 C SER 36 15.448 34.279 18.397 1.00 0.00 -ATOM 582 O SER 36 15.485 34.437 19.613 1.00 0.00 -ATOM 583 N VAL 37 15.246 35.295 17.536 1.00 0.00 -ATOM 584 H VAL 37 15.339 35.070 16.556 1.00 0.00 -ATOM 585 CA VAL 37 15.021 36.698 17.910 1.00 0.00 -ATOM 586 HA VAL 37 15.750 37.023 18.652 1.00 0.00 -ATOM 587 CB VAL 37 15.162 37.598 16.648 1.00 0.00 -ATOM 588 HB VAL 37 14.528 37.160 15.878 1.00 0.00 -ATOM 589 CG1 VAL 37 14.770 39.075 16.857 1.00 0.00 -ATOM 590 HG11 VAL 37 15.404 39.514 17.627 1.00 0.00 -ATOM 591 HG12 VAL 37 14.901 39.622 15.923 1.00 0.00 -ATOM 592 HG13 VAL 37 13.727 39.134 17.169 1.00 0.00 -ATOM 593 CG2 VAL 37 16.614 37.587 16.161 1.00 0.00 -ATOM 594 HG21 VAL 37 16.906 36.567 15.910 1.00 0.00 -ATOM 595 HG22 VAL 37 16.706 38.219 15.278 1.00 0.00 -ATOM 596 HG23 VAL 37 17.265 37.967 16.948 1.00 0.00 -ATOM 597 C VAL 37 13.677 36.920 18.635 1.00 0.00 -ATOM 598 O VAL 37 13.560 37.898 19.369 1.00 0.00 -ATOM 599 N GLY 38 12.711 35.995 18.521 1.00 0.00 -ATOM 600 H GLY 38 12.896 35.193 17.936 1.00 0.00 -ATOM 601 CA GLY 38 11.416 36.080 19.190 1.00 0.00 -ATOM 602 HA2 GLY 38 11.176 37.131 19.353 1.00 0.00 -ATOM 603 HA3 GLY 38 10.660 35.632 18.545 1.00 0.00 -ATOM 604 C GLY 38 11.415 35.354 20.537 1.00 0.00 -ATOM 605 O GLY 38 10.644 35.727 21.418 1.00 0.00 -ATOM 606 N CYS 39 12.336 34.396 20.734 1.00 0.00 -ATOM 607 H CYS 39 12.846 34.078 19.923 1.00 0.00 -ATOM 608 CA CYS 39 12.651 33.797 22.029 1.00 0.00 -ATOM 609 HA CYS 39 11.736 33.561 22.573 1.00 0.00 -ATOM 610 CB CYS 39 13.439 32.492 21.802 1.00 0.00 -ATOM 611 HB2 CYS 39 14.261 32.625 21.099 1.00 0.00 -ATOM 612 HB3 CYS 39 13.822 32.075 22.734 1.00 0.00 -ATOM 613 SG CYS 39 12.367 31.220 21.086 1.00 0.00 -ATOM 614 HG CYS 39 13.300 30.274 21.019 1.00 0.00 -ATOM 615 C CYS 39 13.512 34.761 22.868 1.00 0.00 -ATOM 616 O CYS 39 13.282 34.885 24.070 1.00 0.00 -ATOM 617 N ILE 40 14.468 35.467 22.234 1.00 0.00 -ATOM 618 H ILE 40 14.616 35.231 21.263 1.00 0.00 -ATOM 619 CA ILE 40 15.352 36.461 22.850 1.00 0.00 -ATOM 620 HA ILE 40 15.752 36.117 23.804 1.00 0.00 -ATOM 621 CB ILE 40 16.529 36.793 21.882 1.00 0.00 -ATOM 622 HB ILE 40 16.097 36.968 20.897 1.00 0.00 -ATOM 623 CG2 ILE 40 17.361 38.026 22.306 1.00 0.00 -ATOM 624 HG21 ILE 40 17.794 37.852 23.291 1.00 0.00 -ATOM 625 HG22 ILE 40 18.160 38.192 21.583 1.00 0.00 -ATOM 626 HG23 ILE 40 16.717 38.904 22.343 1.00 0.00 -ATOM 627 CG1 ILE 40 17.464 35.571 21.737 1.00 0.00 -ATOM 628 HG12 ILE 40 18.083 35.540 22.633 1.00 0.00 -ATOM 629 HG13 ILE 40 16.826 34.688 21.707 1.00 0.00 -ATOM 630 CD1 ILE 40 18.363 35.594 20.496 1.00 0.00 -ATOM 631 HD11 ILE 40 19.002 36.477 20.526 1.00 0.00 -ATOM 632 HD12 ILE 40 18.983 34.698 20.479 1.00 0.00 -ATOM 633 HD13 ILE 40 17.744 35.624 19.599 1.00 0.00 -ATOM 634 C ILE 40 14.561 37.717 23.257 1.00 0.00 -ATOM 635 O ILE 40 14.691 38.142 24.402 1.00 0.00 -ATOM 636 N MET 41 13.726 38.281 22.361 1.00 0.00 -ATOM 637 H MET 41 13.737 37.889 21.430 1.00 0.00 -ATOM 638 CA MET 41 12.878 39.456 22.612 1.00 0.00 -ATOM 639 HA MET 41 13.489 40.297 22.940 1.00 0.00 -ATOM 640 CB MET 41 12.142 39.858 21.315 1.00 0.00 -ATOM 641 HB2 MET 41 12.906 40.118 20.583 1.00 0.00 -ATOM 642 HB3 MET 41 11.596 38.979 20.973 1.00 0.00 -ATOM 643 CG MET 41 11.166 41.036 21.477 1.00 0.00 -ATOM 644 HG2 MET 41 10.333 40.683 22.085 1.00 0.00 -ATOM 645 HG3 MET 41 11.697 41.823 22.012 1.00 0.00 -ATOM 646 SD MET 41 10.529 41.699 19.924 1.00 0.00 -ATOM 647 CE MET 41 9.245 42.774 20.592 1.00 0.00 -ATOM 648 HE1 MET 41 9.698 43.516 21.249 1.00 0.00 -ATOM 649 HE2 MET 41 8.731 43.279 19.774 1.00 0.00 -ATOM 650 HE3 MET 41 8.529 42.178 21.157 1.00 0.00 -ATOM 651 C MET 41 11.882 39.230 23.757 1.00 0.00 -ATOM 652 O MET 41 11.729 40.112 24.601 1.00 0.00 -ATOM 653 N ALA 42 11.252 38.045 23.806 1.00 0.00 -ATOM 654 H ALA 42 11.396 37.422 23.024 1.00 0.00 -ATOM 655 CA ALA 42 10.353 37.618 24.875 1.00 0.00 -ATOM 656 HA ALA 42 9.525 38.322 24.955 1.00 0.00 -ATOM 657 CB ALA 42 9.790 36.239 24.516 1.00 0.00 -ATOM 658 HB1 ALA 42 10.607 35.521 24.441 1.00 0.00 -ATOM 659 HB2 ALA 42 9.094 35.917 25.291 1.00 0.00 -ATOM 660 HB3 ALA 42 9.268 36.296 23.561 1.00 0.00 -ATOM 661 C ALA 42 11.050 37.563 26.244 1.00 0.00 -ATOM 662 O ALA 42 10.443 37.936 27.246 1.00 0.00 -ATOM 663 N GLU 43 12.329 37.151 26.276 1.00 0.00 -ATOM 664 H GLU 43 12.713 36.803 25.409 1.00 0.00 -ATOM 665 CA GLU 43 13.152 37.071 27.479 1.00 0.00 -ATOM 666 HA GLU 43 12.558 36.748 28.334 1.00 0.00 -ATOM 667 CB GLU 43 14.271 36.034 27.235 1.00 0.00 -ATOM 668 HB2 GLU 43 13.778 35.069 27.120 1.00 0.00 -ATOM 669 HB3 GLU 43 14.750 36.311 26.296 1.00 0.00 -ATOM 670 CG GLU 43 15.340 35.937 28.349 1.00 0.00 -ATOM 671 HG2 GLU 43 15.972 36.820 28.252 1.00 0.00 -ATOM 672 HG3 GLU 43 14.813 35.971 29.303 1.00 0.00 -ATOM 673 CD GLU 43 16.207 34.682 28.291 1.00 0.00 -ATOM 674 OE1 GLU 43 15.930 33.803 27.446 1.00 0.00 -ATOM 675 OE2 GLU 43 17.149 34.613 29.111 1.00 0.00 -ATOM 676 C GLU 43 13.716 38.428 27.940 1.00 0.00 -ATOM 677 O GLU 43 14.008 38.566 29.127 1.00 0.00 -ATOM 678 N LEU 44 13.809 39.447 27.066 1.00 0.00 -ATOM 679 H LEU 44 13.654 39.274 26.083 1.00 0.00 -ATOM 680 CA LEU 44 14.134 40.813 27.488 1.00 0.00 -ATOM 681 HA LEU 44 14.918 40.781 28.244 1.00 0.00 -ATOM 682 CB LEU 44 14.630 41.669 26.297 1.00 0.00 -ATOM 683 HB2 LEU 44 13.777 41.628 25.620 1.00 0.00 -ATOM 684 HB3 LEU 44 14.774 42.695 26.637 1.00 0.00 -ATOM 685 CG LEU 44 15.898 41.189 25.557 1.00 0.00 -ATOM 686 HG LEU 44 15.683 40.238 25.069 1.00 0.00 -ATOM 687 CD1 LEU 44 16.335 42.218 24.503 1.00 0.00 -ATOM 688 HD11 LEU 44 16.551 43.169 24.990 1.00 0.00 -ATOM 689 HD12 LEU 44 17.230 41.860 23.994 1.00 0.00 -ATOM 690 HD13 LEU 44 15.535 42.356 23.776 1.00 0.00 -ATOM 691 CD2 LEU 44 17.060 40.864 26.505 1.00 0.00 -ATOM 692 HD21 LEU 44 16.759 40.073 27.192 1.00 0.00 -ATOM 693 HD22 LEU 44 17.921 40.533 25.925 1.00 0.00 -ATOM 694 HD23 LEU 44 17.327 41.755 27.073 1.00 0.00 -ATOM 695 C LEU 44 12.896 41.510 28.091 1.00 0.00 -ATOM 696 O LEU 44 13.046 42.323 29.000 1.00 0.00 -ATOM 697 N LEU 45 11.684 41.171 27.617 1.00 0.00 -ATOM 698 H LEU 45 11.666 40.446 26.914 1.00 0.00 -ATOM 699 CA LEU 45 10.409 41.751 28.051 1.00 0.00 -ATOM 700 HA LEU 45 10.512 42.820 28.239 1.00 0.00 -ATOM 701 CB LEU 45 9.373 41.546 26.921 1.00 0.00 -ATOM 702 HB2 LEU 45 9.470 40.495 26.649 1.00 0.00 -ATOM 703 HB3 LEU 45 8.368 41.731 27.300 1.00 0.00 -ATOM 704 CG LEU 45 9.622 42.423 25.678 1.00 0.00 -ATOM 705 HG LEU 45 10.693 42.448 25.475 1.00 0.00 -ATOM 706 CD1 LEU 45 8.884 41.863 24.458 1.00 0.00 -ATOM 707 HD11 LEU 45 7.813 41.838 24.660 1.00 0.00 -ATOM 708 HD12 LEU 45 9.075 42.499 23.594 1.00 0.00 -ATOM 709 HD13 LEU 45 9.238 40.853 24.251 1.00 0.00 -ATOM 710 CD2 LEU 45 9.220 43.887 25.908 1.00 0.00 -ATOM 711 HD21 LEU 45 9.801 44.299 26.733 1.00 0.00 -ATOM 712 HD22 LEU 45 9.414 44.464 25.004 1.00 0.00 -ATOM 713 HD23 LEU 45 8.159 43.939 26.150 1.00 0.00 -ATOM 714 C LEU 45 9.835 41.096 29.322 1.00 0.00 -ATOM 715 O LEU 45 8.911 41.662 29.907 1.00 0.00 -ATOM 716 N THR 46 10.365 39.937 29.754 1.00 0.00 -ATOM 717 H THR 46 11.072 39.522 29.164 1.00 0.00 -ATOM 718 CA THR 46 9.894 39.175 30.918 1.00 0.00 -ATOM 719 HA THR 46 9.234 39.744 31.573 1.00 0.00 -ATOM 720 CB THR 46 9.167 37.876 30.489 1.00 0.00 -ATOM 721 HB THR 46 8.847 37.375 31.402 1.00 0.00 -ATOM 722 CG2 THR 46 7.954 38.099 29.576 1.00 0.00 -ATOM 723 HG21 THR 46 8.274 38.600 28.662 1.00 0.00 -ATOM 724 HG22 THR 46 7.506 37.138 29.325 1.00 0.00 -ATOM 725 HG23 THR 46 7.220 38.718 30.091 1.00 0.00 -ATOM 726 OG1 THR 46 10.055 36.957 29.885 1.00 0.00 -ATOM 727 HG1 THR 46 9.574 36.166 29.632 1.00 0.00 -ATOM 728 C THR 46 11.009 38.908 31.938 1.00 0.00 -ATOM 729 O THR 46 10.733 38.882 33.137 1.00 0.00 -ATOM 730 N GLY 47 12.243 38.668 31.474 1.00 0.00 -ATOM 731 H GLY 47 12.381 38.750 30.477 1.00 0.00 -ATOM 732 CA GLY 47 13.388 38.300 32.303 1.00 0.00 -ATOM 733 HA2 GLY 47 14.278 38.784 31.901 1.00 0.00 -ATOM 734 HA3 GLY 47 13.210 38.653 33.319 1.00 0.00 -ATOM 735 C GLY 47 13.616 36.785 32.335 1.00 0.00 -ATOM 736 O GLY 47 14.594 36.330 32.923 1.00 0.00 -ATOM 737 N ARG 48 12.681 36.014 31.757 1.00 0.00 -ATOM 738 H ARG 48 11.999 36.521 31.211 1.00 0.00 -ATOM 739 CA ARG 48 12.573 34.561 31.822 1.00 0.00 -ATOM 740 HA ARG 48 13.340 34.147 32.476 1.00 0.00 -ATOM 741 CB ARG 48 11.182 34.191 32.395 1.00 0.00 -ATOM 742 HB2 ARG 48 10.451 34.459 31.632 1.00 0.00 -ATOM 743 HB3 ARG 48 11.182 33.110 32.534 1.00 0.00 -ATOM 744 CG ARG 48 10.812 34.880 33.724 1.00 0.00 -ATOM 745 HG2 ARG 48 10.831 35.955 33.545 1.00 0.00 -ATOM 746 HG3 ARG 48 9.797 34.572 33.974 1.00 0.00 -ATOM 747 CD ARG 48 11.752 34.538 34.889 1.00 0.00 -ATOM 748 HD2 ARG 48 11.556 33.521 35.230 1.00 0.00 -ATOM 749 HD3 ARG 48 12.787 34.616 34.558 1.00 0.00 -ATOM 750 NE ARG 48 11.547 35.459 36.014 1.00 0.00 -ATOM 751 HE ARG 48 10.702 36.011 35.984 1.00 0.00 -ATOM 752 CZ ARG 48 12.379 35.617 37.056 1.00 0.00 -ATOM 753 NH1 ARG 48 13.500 34.893 37.176 1.00 0.00 -ATOM 754 HH11 ARG 48 13.734 34.209 36.471 1.00 0.00 -ATOM 755 HH12 ARG 48 14.106 35.035 37.971 1.00 0.00 -ATOM 756 NH2 ARG 48 12.084 36.520 37.997 1.00 0.00 -ATOM 757 HH21 ARG 48 11.242 37.072 37.916 1.00 0.00 -ATOM 758 HH22 ARG 48 12.704 36.645 38.784 1.00 0.00 -ATOM 759 C ARG 48 12.700 33.975 30.415 1.00 0.00 -ATOM 760 O ARG 48 12.288 34.602 29.440 1.00 0.00 -ATOM 761 N THR 49 13.194 32.733 30.318 1.00 0.00 -ATOM 762 H THR 49 13.556 32.319 31.165 1.00 0.00 -ATOM 763 CA THR 49 13.251 31.948 29.082 1.00 0.00 -ATOM 764 HA THR 49 13.801 32.486 28.310 1.00 0.00 -ATOM 765 CB THR 49 13.985 30.618 29.376 1.00 0.00 -ATOM 766 HB THR 49 13.382 30.071 30.101 1.00 0.00 -ATOM 767 CG2 THR 49 14.213 29.741 28.134 1.00 0.00 -ATOM 768 HG21 THR 49 14.816 30.287 27.409 1.00 0.00 -ATOM 769 HG22 THR 49 14.733 28.828 28.424 1.00 0.00 -ATOM 770 HG23 THR 49 13.252 29.485 27.688 1.00 0.00 -ATOM 771 OG1 THR 49 15.264 30.858 29.930 1.00 0.00 -ATOM 772 HG1 THR 49 15.700 30.020 30.104 1.00 0.00 -ATOM 773 C THR 49 11.813 31.672 28.591 1.00 0.00 -ATOM 774 O THR 49 10.934 31.383 29.405 1.00 0.00 -ATOM 775 N LEU 50 11.573 31.776 27.273 1.00 0.00 -ATOM 776 H LEU 50 12.345 32.030 26.674 1.00 0.00 -ATOM 777 CA LEU 50 10.254 31.587 26.664 1.00 0.00 -ATOM 778 HA LEU 50 9.484 32.070 27.265 1.00 0.00 -ATOM 779 CB LEU 50 10.251 32.222 25.253 1.00 0.00 -ATOM 780 HB2 LEU 50 10.512 33.260 25.459 1.00 0.00 -ATOM 781 HB3 LEU 50 11.024 31.770 24.632 1.00 0.00 -ATOM 782 CG LEU 50 8.895 32.170 24.507 1.00 0.00 -ATOM 783 HG LEU 50 8.647 31.122 24.339 1.00 0.00 -ATOM 784 CD1 LEU 50 7.759 32.846 25.291 1.00 0.00 -ATOM 785 HD11 LEU 50 8.007 33.894 25.459 1.00 0.00 -ATOM 786 HD12 LEU 50 6.833 32.779 24.720 1.00 0.00 -ATOM 787 HD13 LEU 50 7.631 32.345 26.250 1.00 0.00 -ATOM 788 CD2 LEU 50 9.012 32.767 23.099 1.00 0.00 -ATOM 789 HD21 LEU 50 9.746 32.202 22.524 1.00 0.00 -ATOM 790 HD22 LEU 50 8.044 32.716 22.601 1.00 0.00 -ATOM 791 HD23 LEU 50 9.329 33.807 23.170 1.00 0.00 -ATOM 792 C LEU 50 9.872 30.098 26.576 1.00 0.00 -ATOM 793 O LEU 50 8.718 29.761 26.836 1.00 0.00 -ATOM 794 N PHE 51 10.833 29.216 26.252 1.00 0.00 -ATOM 795 H PHE 51 11.729 29.610 26.003 1.00 0.00 -ATOM 796 CA PHE 51 10.654 27.770 26.132 1.00 0.00 -ATOM 797 HA PHE 51 9.727 27.465 26.617 1.00 0.00 -ATOM 798 CB PHE 51 10.585 27.372 24.637 1.00 0.00 -ATOM 799 HB2 PHE 51 11.567 27.516 24.185 1.00 0.00 -ATOM 800 HB3 PHE 51 10.310 26.319 24.579 1.00 0.00 -ATOM 801 CG PHE 51 9.592 28.130 23.770 1.00 0.00 -ATOM 802 CD1 PHE 51 10.057 28.843 22.647 1.00 0.00 -ATOM 803 HD1 PHE 51 11.127 28.882 22.442 1.00 0.00 -ATOM 804 CE1 PHE 51 9.153 29.501 21.794 1.00 0.00 -ATOM 805 HE1 PHE 51 9.517 30.031 20.914 1.00 0.00 -ATOM 806 CZ PHE 51 7.777 29.474 22.079 1.00 0.00 -ATOM 807 HZ PHE 51 7.072 29.967 21.410 1.00 0.00 -ATOM 808 CE2 PHE 51 7.309 28.810 23.229 1.00 0.00 -ATOM 809 HE2 PHE 51 6.247 28.828 23.474 1.00 0.00 -ATOM 810 CD2 PHE 51 8.213 28.122 24.063 1.00 0.00 -ATOM 811 HD2 PHE 51 7.846 27.582 24.936 1.00 0.00 -ATOM 812 C PHE 51 11.767 27.028 26.905 1.00 0.00 -ATOM 813 O PHE 51 12.617 26.401 26.268 1.00 0.00 -ATOM 814 N PRO 52 11.797 27.081 28.260 1.00 0.00 -ATOM 815 CD PRO 52 10.908 27.877 29.111 1.00 0.00 -ATOM 816 HD2 PRO 52 9.884 27.562 28.908 1.00 0.00 -ATOM 817 HD3 PRO 52 11.028 28.923 28.830 1.00 0.00 -ATOM 818 CG PRO 52 11.328 27.610 30.556 1.00 0.00 -ATOM 819 HG2 PRO 52 10.670 26.871 31.014 1.00 0.00 -ATOM 820 HG3 PRO 52 11.299 28.531 31.137 1.00 0.00 -ATOM 821 CB PRO 52 12.752 27.088 30.437 1.00 0.00 -ATOM 822 HB2 PRO 52 12.896 26.367 31.241 1.00 0.00 -ATOM 823 HB3 PRO 52 13.538 27.842 30.480 1.00 0.00 -ATOM 824 CA PRO 52 12.788 26.370 29.079 1.00 0.00 -ATOM 825 HA PRO 52 13.766 26.432 28.603 1.00 0.00 -ATOM 826 C PRO 52 12.377 24.895 29.213 1.00 0.00 -ATOM 827 O PRO 52 11.657 24.521 30.139 1.00 0.00 -ATOM 828 N GLY 53 12.840 24.061 28.275 1.00 0.00 -ATOM 829 H GLY 53 13.506 24.420 27.606 1.00 0.00 -ATOM 830 CA GLY 53 12.438 22.669 28.167 1.00 0.00 -ATOM 831 HA2 GLY 53 11.538 22.500 28.758 1.00 0.00 -ATOM 832 HA3 GLY 53 12.238 22.425 27.124 1.00 0.00 -ATOM 833 C GLY 53 13.548 21.762 28.684 1.00 0.00 -ATOM 834 O GLY 53 14.726 22.011 28.430 1.00 0.00 -ATOM 835 N THR 54 13.156 20.705 29.410 1.00 0.00 -ATOM 836 H THR 54 12.161 20.621 29.562 1.00 0.00 -ATOM 837 CA THR 54 14.039 19.708 30.023 1.00 0.00 -ATOM 838 HA THR 54 14.951 20.126 30.449 1.00 0.00 -ATOM 839 CB THR 54 13.261 18.971 31.145 1.00 0.00 -ATOM 840 HB THR 54 13.934 18.234 31.582 1.00 0.00 -ATOM 841 CG2 THR 54 12.747 19.913 32.247 1.00 0.00 -ATOM 842 HG21 THR 54 12.074 20.650 31.810 1.00 0.00 -ATOM 843 HG22 THR 54 12.212 19.334 33.000 1.00 0.00 -ATOM 844 HG23 THR 54 13.591 20.423 32.713 1.00 0.00 -ATOM 845 OG1 THR 54 12.173 18.211 30.647 1.00 0.00 -ATOM 846 HG1 THR 54 11.726 17.776 31.377 1.00 0.00 -ATOM 847 C THR 54 14.582 18.684 29.006 1.00 0.00 -ATOM 848 O THR 54 15.459 17.898 29.356 1.00 0.00 -ATOM 849 N ASP 55 14.067 18.699 27.767 1.00 0.00 -ATOM 850 H ASP 55 13.295 19.340 27.654 1.00 0.00 -ATOM 851 CA ASP 55 14.435 17.850 26.634 1.00 0.00 -ATOM 852 HA ASP 55 15.503 17.948 26.439 1.00 0.00 -ATOM 853 CB ASP 55 14.118 16.357 26.925 1.00 0.00 -ATOM 854 HB2 ASP 55 14.341 15.809 26.010 1.00 0.00 -ATOM 855 HB3 ASP 55 14.789 16.027 27.718 1.00 0.00 -ATOM 856 CG ASP 55 12.669 16.090 27.339 1.00 0.00 -ATOM 857 OD1 ASP 55 11.832 15.952 26.423 1.00 0.00 -ATOM 858 OD2 ASP 55 12.418 16.041 28.562 1.00 0.00 -ATOM 859 C ASP 55 13.716 18.382 25.378 1.00 0.00 -ATOM 860 O ASP 55 12.926 19.326 25.450 1.00 0.00 -ATOM 861 N HIE 56 14.000 17.761 24.222 1.00 0.00 -ATOM 862 H HIE 56 14.690 17.027 24.292 1.00 0.00 -ATOM 863 CA HIE 56 13.446 18.071 22.899 1.00 0.00 -ATOM 864 HA HIE 56 13.689 19.093 22.610 1.00 0.00 -ATOM 865 CB HIE 56 14.064 17.106 21.865 1.00 0.00 -ATOM 866 HB2 HIE 56 14.008 16.105 22.293 1.00 0.00 -ATOM 867 HB3 HIE 56 13.505 17.133 20.930 1.00 0.00 -ATOM 868 CG HIE 56 15.512 17.343 21.509 1.00 0.00 -ATOM 869 ND1 HIE 56 16.565 17.181 22.419 1.00 0.00 -ATOM 870 CE1 HIE 56 17.663 17.440 21.718 1.00 0.00 -ATOM 871 HE1 HIE 56 18.605 17.363 22.261 1.00 0.00 -ATOM 872 NE2 HIE 56 17.409 17.755 20.448 1.00 0.00 -ATOM 873 HE2 HIE 56 18.070 17.996 19.723 1.00 0.00 -ATOM 874 CD2 HIE 56 16.038 17.694 20.283 1.00 0.00 -ATOM 875 HD2 HIE 56 15.596 17.908 19.310 1.00 0.00 -ATOM 876 C HIE 56 11.909 17.977 22.826 1.00 0.00 -ATOM 877 O HIE 56 11.278 18.813 22.180 1.00 0.00 -ATOM 878 N ILE 57 11.315 16.970 23.491 1.00 0.00 -ATOM 879 H ILE 57 11.923 16.347 24.003 1.00 0.00 -ATOM 880 CA ILE 57 9.876 16.695 23.494 1.00 0.00 -ATOM 881 HA ILE 57 9.355 16.920 22.563 1.00 0.00 -ATOM 882 CB ILE 57 9.644 15.201 23.870 1.00 0.00 -ATOM 883 HB ILE 57 10.176 15.012 24.802 1.00 0.00 -ATOM 884 CG2 ILE 57 8.156 14.836 24.045 1.00 0.00 -ATOM 885 HG21 ILE 57 7.623 15.025 23.113 1.00 0.00 -ATOM 886 HG22 ILE 57 8.068 13.781 24.306 1.00 0.00 -ATOM 887 HG23 ILE 57 7.723 15.444 24.840 1.00 0.00 -ATOM 888 CG1 ILE 57 10.340 14.220 22.894 1.00 0.00 -ATOM 889 HG12 ILE 57 11.408 14.431 22.949 1.00 0.00 -ATOM 890 HG13 ILE 57 10.149 13.216 23.273 1.00 0.00 -ATOM 891 CD1 ILE 57 9.875 14.313 21.432 1.00 0.00 -ATOM 892 HD11 ILE 57 10.067 15.317 21.052 1.00 0.00 -ATOM 893 HD12 ILE 57 10.421 13.587 20.830 1.00 0.00 -ATOM 894 HD13 ILE 57 8.807 14.102 21.376 1.00 0.00 -ATOM 895 C ILE 57 9.143 17.619 24.483 1.00 0.00 -ATOM 896 O ILE 57 8.044 18.075 24.170 1.00 0.00 -ATOM 897 N ASP 58 9.750 17.923 25.644 1.00 0.00 -ATOM 898 H ASP 58 10.599 17.426 25.873 1.00 0.00 -ATOM 899 CA ASP 58 9.209 18.862 26.627 1.00 0.00 -ATOM 900 HA ASP 58 8.162 18.634 26.826 1.00 0.00 -ATOM 901 CB ASP 58 10.000 18.750 27.953 1.00 0.00 -ATOM 902 HB2 ASP 58 9.957 17.714 28.290 1.00 0.00 -ATOM 903 HB3 ASP 58 11.032 19.015 27.725 1.00 0.00 -ATOM 904 CG ASP 58 9.469 19.670 29.061 1.00 0.00 -ATOM 905 OD1 ASP 58 10.263 20.497 29.555 1.00 0.00 -ATOM 906 OD2 ASP 58 8.267 19.542 29.382 1.00 0.00 -ATOM 907 C ASP 58 9.210 20.306 26.089 1.00 0.00 -ATOM 908 O ASP 58 8.231 21.020 26.295 1.00 0.00 -ATOM 909 N GLN 59 10.261 20.710 25.350 1.00 0.00 -ATOM 910 H GLN 59 11.044 20.078 25.263 1.00 0.00 -ATOM 911 CA GLN 59 10.358 22.026 24.717 1.00 0.00 -ATOM 912 HA GLN 59 10.133 22.804 25.447 1.00 0.00 -ATOM 913 CB GLN 59 11.781 22.260 24.171 1.00 0.00 -ATOM 914 HB2 GLN 59 12.493 21.991 24.951 1.00 0.00 -ATOM 915 HB3 GLN 59 11.925 21.611 23.308 1.00 0.00 -ATOM 916 CG GLN 59 12.007 23.730 23.753 1.00 0.00 -ATOM 917 HG2 GLN 59 11.311 23.970 22.949 1.00 0.00 -ATOM 918 HG3 GLN 59 11.800 24.366 24.614 1.00 0.00 -ATOM 919 CD GLN 59 13.425 24.011 23.269 1.00 0.00 -ATOM 920 OE1 GLN 59 14.392 23.494 23.822 1.00 0.00 -ATOM 921 NE2 GLN 59 13.557 24.834 22.229 1.00 0.00 -ATOM 922 HE21 GLN 59 14.477 25.050 21.873 1.00 0.00 -ATOM 923 HE22 GLN 59 12.736 25.238 21.801 1.00 0.00 -ATOM 924 C GLN 59 9.332 22.197 23.584 1.00 0.00 -ATOM 925 O GLN 59 8.775 23.283 23.448 1.00 0.00 -ATOM 926 N LEU 60 9.043 21.131 22.815 1.00 0.00 -ATOM 927 H LEU 60 9.614 20.307 22.936 1.00 0.00 -ATOM 928 CA LEU 60 8.006 21.112 21.780 1.00 0.00 -ATOM 929 HA LEU 60 8.158 21.931 21.077 1.00 0.00 -ATOM 930 CB LEU 60 8.077 19.778 21.005 1.00 0.00 -ATOM 931 HB2 LEU 60 9.085 19.816 20.591 1.00 0.00 -ATOM 932 HB3 LEU 60 7.995 18.929 21.683 1.00 0.00 -ATOM 933 CG LEU 60 7.053 19.620 19.855 1.00 0.00 -ATOM 934 HG LEU 60 6.057 19.788 20.266 1.00 0.00 -ATOM 935 CD1 LEU 60 7.306 20.608 18.702 1.00 0.00 -ATOM 936 HD11 LEU 60 8.301 20.440 18.291 1.00 0.00 -ATOM 937 HD12 LEU 60 6.560 20.455 17.922 1.00 0.00 -ATOM 938 HD13 LEU 60 7.236 21.629 19.076 1.00 0.00 -ATOM 939 CD2 LEU 60 7.010 18.167 19.367 1.00 0.00 -ATOM 940 HD21 LEU 60 6.719 17.515 20.191 1.00 0.00 -ATOM 941 HD22 LEU 60 6.285 18.076 18.559 1.00 0.00 -ATOM 942 HD23 LEU 60 7.996 17.876 19.004 1.00 0.00 -ATOM 943 C LEU 60 6.602 21.324 22.376 1.00 0.00 -ATOM 944 O LEU 60 5.791 22.023 21.776 1.00 0.00 -ATOM 945 N LYS 61 6.325 20.766 23.565 1.00 0.00 -ATOM 946 H LYS 61 7.035 20.175 23.974 1.00 0.00 -ATOM 947 CA LYS 61 5.054 20.915 24.274 1.00 0.00 -ATOM 948 HA LYS 61 4.214 20.755 23.599 1.00 0.00 -ATOM 949 CB LYS 61 4.992 19.860 25.395 1.00 0.00 -ATOM 950 HB2 LYS 61 5.952 19.855 25.912 1.00 0.00 -ATOM 951 HB3 LYS 61 4.206 20.150 26.092 1.00 0.00 -ATOM 952 CG LYS 61 4.698 18.454 24.848 1.00 0.00 -ATOM 953 HG2 LYS 61 3.688 18.457 24.437 1.00 0.00 -ATOM 954 HG3 LYS 61 5.413 18.246 24.052 1.00 0.00 -ATOM 955 CD LYS 61 4.807 17.371 25.927 1.00 0.00 -ATOM 956 HD2 LYS 61 5.806 17.424 26.359 1.00 0.00 -ATOM 957 HD3 LYS 61 4.066 17.585 26.698 1.00 0.00 -ATOM 958 CE LYS 61 4.567 15.964 25.365 1.00 0.00 -ATOM 959 HE2 LYS 61 3.566 15.927 24.936 1.00 0.00 -ATOM 960 HE3 LYS 61 5.303 15.771 24.585 1.00 0.00 -ATOM 961 NZ LYS 61 4.688 14.942 26.417 1.00 0.00 -ATOM 962 HZ1 LYS 61 4.006 15.121 27.140 1.00 0.00 -ATOM 963 HZ2 LYS 61 4.525 14.028 26.019 1.00 0.00 -ATOM 964 HZ3 LYS 61 5.616 14.976 26.814 1.00 0.00 -ATOM 965 C LYS 61 4.852 22.326 24.860 1.00 0.00 -ATOM 966 O LYS 61 3.705 22.748 25.002 1.00 0.00 -ATOM 967 N LEU 62 5.936 23.076 25.134 1.00 0.00 -ATOM 968 H LEU 62 6.840 22.631 25.061 1.00 0.00 -ATOM 969 CA LEU 62 5.886 24.491 25.519 1.00 0.00 -ATOM 970 HA LEU 62 5.061 24.660 26.212 1.00 0.00 -ATOM 971 CB LEU 62 7.208 24.901 26.214 1.00 0.00 -ATOM 972 HB2 LEU 62 7.961 24.655 25.465 1.00 0.00 -ATOM 973 HB3 LEU 62 7.215 25.976 26.396 1.00 0.00 -ATOM 974 CG LEU 62 7.526 24.154 27.528 1.00 0.00 -ATOM 975 HG LEU 62 7.432 23.082 27.354 1.00 0.00 -ATOM 976 CD1 LEU 62 8.949 24.472 28.007 1.00 0.00 -ATOM 977 HD11 LEU 62 9.043 25.544 28.182 1.00 0.00 -ATOM 978 HD12 LEU 62 9.150 23.934 28.934 1.00 0.00 -ATOM 979 HD13 LEU 62 9.666 24.164 27.246 1.00 0.00 -ATOM 980 CD2 LEU 62 6.508 24.439 28.642 1.00 0.00 -ATOM 981 HD21 LEU 62 5.516 24.127 28.316 1.00 0.00 -ATOM 982 HD22 LEU 62 6.786 23.886 29.539 1.00 0.00 -ATOM 983 HD23 LEU 62 6.499 25.506 28.862 1.00 0.00 -ATOM 984 C LEU 62 5.698 25.384 24.277 1.00 0.00 -ATOM 985 O LEU 62 4.959 26.366 24.348 1.00 0.00 -ATOM 986 N ILE 63 6.333 25.029 23.142 1.00 0.00 -ATOM 987 H ILE 63 7.029 24.305 23.251 1.00 0.00 -ATOM 988 CA ILE 63 6.209 25.683 21.836 1.00 0.00 -ATOM 989 HA ILE 63 6.310 26.767 21.890 1.00 0.00 -ATOM 990 CB ILE 63 7.273 25.111 20.849 1.00 0.00 -ATOM 991 HB ILE 63 7.306 24.031 20.996 1.00 0.00 -ATOM 992 CG2 ILE 63 6.971 25.420 19.366 1.00 0.00 -ATOM 993 HG21 ILE 63 6.938 26.499 19.219 1.00 0.00 -ATOM 994 HG22 ILE 63 7.753 24.992 18.739 1.00 0.00 -ATOM 995 HG23 ILE 63 6.009 24.987 19.093 1.00 0.00 -ATOM 996 CG1 ILE 63 8.688 25.613 21.230 1.00 0.00 -ATOM 997 HG12 ILE 63 8.726 26.671 20.969 1.00 0.00 -ATOM 998 HG13 ILE 63 8.779 25.502 22.311 1.00 0.00 -ATOM 999 CD1 ILE 63 9.846 24.874 20.540 1.00 0.00 -ATOM 1000 HD11 ILE 63 9.756 24.985 19.459 1.00 0.00 -ATOM 1001 HD12 ILE 63 10.795 25.296 20.870 1.00 0.00 -ATOM 1002 HD13 ILE 63 9.809 23.816 20.801 1.00 0.00 -ATOM 1003 C ILE 63 4.766 25.609 21.308 1.00 0.00 -ATOM 1004 O ILE 63 4.152 26.653 21.090 1.00 0.00 -ATOM 1005 N LEU 64 4.226 24.391 21.135 1.00 0.00 -ATOM 1006 H LEU 64 4.794 23.598 21.398 1.00 0.00 -ATOM 1007 CA LEU 64 2.905 24.137 20.556 1.00 0.00 -ATOM 1008 HA LEU 64 2.763 24.750 19.666 1.00 0.00 -ATOM 1009 CB LEU 64 2.781 22.647 20.155 1.00 0.00 -ATOM 1010 HB2 LEU 64 2.940 22.133 21.103 1.00 0.00 -ATOM 1011 HB3 LEU 64 1.769 22.452 19.801 1.00 0.00 -ATOM 1012 CG LEU 64 3.800 22.131 19.112 1.00 0.00 -ATOM 1013 HG LEU 64 4.808 22.239 19.513 1.00 0.00 -ATOM 1014 CD1 LEU 64 3.530 20.651 18.796 1.00 0.00 -ATOM 1015 HD11 LEU 64 2.522 20.543 18.395 1.00 0.00 -ATOM 1016 HD12 LEU 64 4.253 20.298 18.061 1.00 0.00 -ATOM 1017 HD13 LEU 64 3.623 20.061 19.708 1.00 0.00 -ATOM 1018 CD2 LEU 64 3.829 22.957 17.821 1.00 0.00 -ATOM 1019 HD21 LEU 64 4.096 23.988 18.054 1.00 0.00 -ATOM 1020 HD22 LEU 64 4.566 22.537 17.137 1.00 0.00 -ATOM 1021 HD23 LEU 64 2.845 22.935 17.353 1.00 0.00 -ATOM 1022 C LEU 64 1.738 24.496 21.497 1.00 0.00 -ATOM 1023 O LEU 64 0.599 24.534 21.036 1.00 0.00 -ATOM 1024 N ARG 65 1.990 24.803 22.782 1.00 0.00 -ATOM 1025 H ARG 65 2.903 24.601 23.163 1.00 0.00 -ATOM 1026 CA ARG 65 0.976 25.367 23.673 1.00 0.00 -ATOM 1027 HA ARG 65 0.008 24.907 23.476 1.00 0.00 -ATOM 1028 CB ARG 65 1.359 25.100 25.146 1.00 0.00 -ATOM 1029 HB2 ARG 65 1.447 24.021 25.272 1.00 0.00 -ATOM 1030 HB3 ARG 65 2.329 25.566 25.323 1.00 0.00 -ATOM 1031 CG ARG 65 0.332 25.653 26.155 1.00 0.00 -ATOM 1032 HG2 ARG 65 0.441 26.737 26.163 1.00 0.00 -ATOM 1033 HG3 ARG 65 -0.658 25.391 25.782 1.00 0.00 -ATOM 1034 CD ARG 65 0.501 25.112 27.578 1.00 0.00 -ATOM 1035 HD2 ARG 65 0.353 24.032 27.585 1.00 0.00 -ATOM 1036 HD3 ARG 65 1.500 25.344 27.947 1.00 0.00 -ATOM 1037 NE ARG 65 -0.488 25.729 28.475 1.00 0.00 -ATOM 1038 HE ARG 65 -1.387 25.270 28.495 1.00 0.00 -ATOM 1039 CZ ARG 65 -0.303 26.812 29.250 1.00 0.00 -ATOM 1040 NH1 ARG 65 0.878 27.444 29.316 1.00 0.00 -ATOM 1041 HH11 ARG 65 1.659 27.106 28.772 1.00 0.00 -ATOM 1042 HH12 ARG 65 0.981 28.255 29.909 1.00 0.00 -ATOM 1043 NH2 ARG 65 -1.330 27.277 29.972 1.00 0.00 -ATOM 1044 HH21 ARG 65 -2.226 26.813 29.927 1.00 0.00 -ATOM 1045 HH22 ARG 65 -1.204 28.090 30.558 1.00 0.00 -ATOM 1046 C ARG 65 0.804 26.877 23.421 1.00 0.00 -ATOM 1047 O ARG 65 -0.329 27.351 23.462 1.00 0.00 -ATOM 1048 N LEU 66 1.890 27.619 23.133 1.00 0.00 -ATOM 1049 H LEU 66 2.786 27.153 23.115 1.00 0.00 -ATOM 1050 CA LEU 66 1.851 29.061 22.872 1.00 0.00 -ATOM 1051 HA LEU 66 1.195 29.557 23.588 1.00 0.00 -ATOM 1052 CB LEU 66 3.278 29.652 23.015 1.00 0.00 -ATOM 1053 HB2 LEU 66 3.529 29.438 24.054 1.00 0.00 -ATOM 1054 HB3 LEU 66 3.965 29.118 22.358 1.00 0.00 -ATOM 1055 CG LEU 66 3.399 31.178 22.758 1.00 0.00 -ATOM 1056 HG LEU 66 3.042 31.379 21.748 1.00 0.00 -ATOM 1057 CD1 LEU 66 2.586 32.006 23.762 1.00 0.00 -ATOM 1058 HD11 LEU 66 2.943 31.806 24.772 1.00 0.00 -ATOM 1059 HD12 LEU 66 2.704 33.066 23.539 1.00 0.00 -ATOM 1060 HD13 LEU 66 1.533 31.735 23.689 1.00 0.00 -ATOM 1061 CD2 LEU 66 4.863 31.632 22.757 1.00 0.00 -ATOM 1062 HD21 LEU 66 5.407 31.106 21.972 1.00 0.00 -ATOM 1063 HD22 LEU 66 4.911 32.706 22.574 1.00 0.00 -ATOM 1064 HD23 LEU 66 5.314 31.408 23.724 1.00 0.00 -ATOM 1065 C LEU 66 1.309 29.358 21.464 1.00 0.00 -ATOM 1066 O LEU 66 0.352 30.121 21.331 1.00 0.00 -ATOM 1067 N VAL 67 1.938 28.789 20.423 1.00 0.00 -ATOM 1068 H VAL 67 2.670 28.122 20.621 1.00 0.00 -ATOM 1069 CA VAL 67 1.670 29.131 19.023 1.00 0.00 -ATOM 1070 HA VAL 67 1.231 30.112 18.843 1.00 0.00 -ATOM 1071 CB VAL 67 2.991 29.018 18.202 1.00 0.00 -ATOM 1072 HB VAL 67 2.812 29.425 17.207 1.00 0.00 -ATOM 1073 CG1 VAL 67 4.148 29.787 18.870 1.00 0.00 -ATOM 1074 HG11 VAL 67 4.328 29.381 19.865 1.00 0.00 -ATOM 1075 HG12 VAL 67 5.050 29.683 18.267 1.00 0.00 -ATOM 1076 HG13 VAL 67 3.885 30.842 18.951 1.00 0.00 -ATOM 1077 CG2 VAL 67 3.439 27.587 17.848 1.00 0.00 -ATOM 1078 HG21 VAL 67 2.667 27.101 17.251 1.00 0.00 -ATOM 1079 HG22 VAL 67 4.367 27.627 17.278 1.00 0.00 -ATOM 1080 HG23 VAL 67 3.600 27.019 18.764 1.00 0.00 -ATOM 1081 C VAL 67 0.566 28.240 18.418 1.00 0.00 -ATOM 1082 O VAL 67 0.002 28.601 17.386 1.00 0.00 -ATOM 1083 N GLY 68 0.275 27.087 19.042 1.00 0.00 -ATOM 1084 H GLY 68 0.794 26.899 19.888 1.00 0.00 -ATOM 1085 CA GLY 68 -0.711 26.105 18.603 1.00 0.00 -ATOM 1086 HA2 GLY 68 -1.303 25.775 19.457 1.00 0.00 -ATOM 1087 HA3 GLY 68 -1.368 26.555 17.858 1.00 0.00 -ATOM 1088 C GLY 68 -0.012 24.892 17.983 1.00 0.00 -ATOM 1089 O GLY 68 1.129 24.997 17.531 1.00 0.00 -ATOM 1090 N THR 69 -0.716 23.754 17.897 1.00 0.00 -ATOM 1091 H THR 69 -1.558 23.684 18.450 1.00 0.00 -ATOM 1092 CA THR 69 -0.312 22.593 17.094 1.00 0.00 -ATOM 1093 HA THR 69 0.731 22.303 17.220 1.00 0.00 -ATOM 1094 CB THR 69 -1.207 21.381 17.442 1.00 0.00 -ATOM 1095 HB THR 69 -1.020 20.607 16.698 1.00 0.00 -ATOM 1096 CG2 THR 69 -0.937 20.819 18.843 1.00 0.00 -ATOM 1097 HG21 THR 69 -1.124 21.593 19.588 1.00 0.00 -ATOM 1098 HG22 THR 69 -1.596 19.971 19.028 1.00 0.00 -ATOM 1099 HG23 THR 69 0.101 20.494 18.911 1.00 0.00 -ATOM 1100 OG1 THR 69 -2.580 21.689 17.292 1.00 0.00 -ATOM 1101 HG1 THR 69 -3.107 20.918 17.515 1.00 0.00 -ATOM 1102 C THR 69 -0.396 22.924 15.586 1.00 0.00 -ATOM 1103 O THR 69 -1.187 23.788 15.201 1.00 0.00 -ATOM 1104 N PRO 70 0.394 22.255 14.718 1.00 0.00 -ATOM 1105 CD PRO 70 1.358 21.205 15.053 1.00 0.00 -ATOM 1106 HD2 PRO 70 0.836 20.426 15.609 1.00 0.00 -ATOM 1107 HD3 PRO 70 2.134 21.641 15.682 1.00 0.00 -ATOM 1108 CG PRO 70 1.903 20.706 13.717 1.00 0.00 -ATOM 1109 HG2 PRO 70 1.376 19.801 13.413 1.00 0.00 -ATOM 1110 HG3 PRO 70 2.969 20.494 13.805 1.00 0.00 -ATOM 1111 CB PRO 70 1.657 21.838 12.749 1.00 0.00 -ATOM 1112 HB2 PRO 70 1.472 21.430 11.755 1.00 0.00 -ATOM 1113 HB3 PRO 70 2.475 22.557 12.700 1.00 0.00 -ATOM 1114 CA PRO 70 0.390 22.522 13.276 1.00 0.00 -ATOM 1115 HA PRO 70 0.429 23.601 13.125 1.00 0.00 -ATOM 1116 C PRO 70 -0.866 21.957 12.599 1.00 0.00 -ATOM 1117 O PRO 70 -1.432 20.956 13.043 1.00 0.00 -ATOM 1118 N GLY 71 -1.265 22.599 11.496 1.00 0.00 -ATOM 1119 H GLY 71 -0.723 23.401 11.209 1.00 0.00 -ATOM 1120 CA GLY 71 -2.418 22.221 10.690 1.00 0.00 -ATOM 1121 HA2 GLY 71 -3.055 21.545 11.260 1.00 0.00 -ATOM 1122 HA3 GLY 71 -2.984 23.113 10.422 1.00 0.00 -ATOM 1123 C GLY 71 -1.964 21.518 9.412 1.00 0.00 -ATOM 1124 O GLY 71 -0.770 21.290 9.208 1.00 0.00 -ATOM 1125 N ALA 72 -2.939 21.144 8.569 1.00 0.00 -ATOM 1126 H ALA 72 -3.877 21.396 8.846 1.00 0.00 -ATOM 1127 CA ALA 72 -2.765 20.343 7.356 1.00 0.00 -ATOM 1128 HA ALA 72 -2.389 19.372 7.679 1.00 0.00 -ATOM 1129 CB ALA 72 -4.135 20.143 6.692 1.00 0.00 -ATOM 1130 HB1 ALA 72 -4.520 21.106 6.355 1.00 0.00 -ATOM 1131 HB2 ALA 72 -4.031 19.475 5.837 1.00 0.00 -ATOM 1132 HB3 ALA 72 -4.828 19.706 7.411 1.00 0.00 -ATOM 1133 C ALA 72 -1.756 20.914 6.344 1.00 0.00 -ATOM 1134 O ALA 72 -1.050 20.140 5.701 1.00 0.00 -ATOM 1135 N GLU 73 -1.668 22.251 6.232 1.00 0.00 -ATOM 1136 H GLU 73 -2.339 22.788 6.763 1.00 0.00 -ATOM 1137 CA GLU 73 -0.757 22.967 5.342 1.00 0.00 -ATOM 1138 HA GLU 73 -0.810 22.562 4.332 1.00 0.00 -ATOM 1139 CB GLU 73 -1.169 24.454 5.299 1.00 0.00 -ATOM 1140 HB2 GLU 73 -2.174 24.488 4.878 1.00 0.00 -ATOM 1141 HB3 GLU 73 -1.197 24.801 6.332 1.00 0.00 -ATOM 1142 CG GLU 73 -0.235 25.366 4.475 1.00 0.00 -ATOM 1143 HG2 GLU 73 0.734 25.414 4.972 1.00 0.00 -ATOM 1144 HG3 GLU 73 -0.123 24.876 3.508 1.00 0.00 -ATOM 1145 CD GLU 73 -0.773 26.782 4.269 1.00 0.00 -ATOM 1146 OE1 GLU 73 -1.822 27.121 4.861 1.00 0.00 -ATOM 1147 OE2 GLU 73 -0.093 27.532 3.536 1.00 0.00 -ATOM 1148 C GLU 73 0.722 22.793 5.734 1.00 0.00 -ATOM 1149 O GLU 73 1.540 22.502 4.863 1.00 0.00 -ATOM 1150 N LEU 74 1.056 22.943 7.028 1.00 0.00 -ATOM 1151 H LEU 74 0.322 23.209 7.669 1.00 0.00 -ATOM 1152 CA LEU 74 2.414 22.786 7.554 1.00 0.00 -ATOM 1153 HA LEU 74 3.145 23.214 6.868 1.00 0.00 -ATOM 1154 CB LEU 74 2.509 23.531 8.907 1.00 0.00 -ATOM 1155 HB2 LEU 74 2.265 24.562 8.652 1.00 0.00 -ATOM 1156 HB3 LEU 74 1.743 23.130 9.571 1.00 0.00 -ATOM 1157 CG LEU 74 3.884 23.487 9.620 1.00 0.00 -ATOM 1158 HG LEU 74 4.047 22.463 9.956 1.00 0.00 -ATOM 1159 CD1 LEU 74 5.050 23.922 8.719 1.00 0.00 -ATOM 1160 HD11 LEU 74 4.888 24.946 8.383 1.00 0.00 -ATOM 1161 HD12 LEU 74 5.983 23.868 9.280 1.00 0.00 -ATOM 1162 HD13 LEU 74 5.108 23.261 7.854 1.00 0.00 -ATOM 1163 CD2 LEU 74 3.866 24.360 10.875 1.00 0.00 -ATOM 1164 HD21 LEU 74 3.101 23.996 11.561 1.00 0.00 -ATOM 1165 HD22 LEU 74 4.840 24.317 11.362 1.00 0.00 -ATOM 1166 HD23 LEU 74 3.644 25.391 10.598 1.00 0.00 -ATOM 1167 C LEU 74 2.793 21.304 7.733 1.00 0.00 -ATOM 1168 O LEU 74 3.967 20.972 7.589 1.00 0.00 -ATOM 1169 N LEU 75 1.823 20.406 7.983 1.00 0.00 -ATOM 1170 H LEU 75 0.901 20.771 8.174 1.00 0.00 -ATOM 1171 CA LEU 75 2.029 18.955 8.071 1.00 0.00 -ATOM 1172 HA LEU 75 2.805 18.730 8.802 1.00 0.00 -ATOM 1173 CB LEU 75 0.718 18.266 8.514 1.00 0.00 -ATOM 1174 HB2 LEU 75 -0.081 18.891 8.116 1.00 0.00 -ATOM 1175 HB3 LEU 75 0.663 17.275 8.063 1.00 0.00 -ATOM 1176 CG LEU 75 0.561 18.144 10.044 1.00 0.00 -ATOM 1177 HG LEU 75 0.890 19.075 10.505 1.00 0.00 -ATOM 1178 CD1 LEU 75 -0.902 17.872 10.429 1.00 0.00 -ATOM 1179 HD11 LEU 75 -1.232 16.940 9.969 1.00 0.00 -ATOM 1180 HD12 LEU 75 -0.984 17.791 11.513 1.00 0.00 -ATOM 1181 HD13 LEU 75 -1.529 18.692 10.078 1.00 0.00 -ATOM 1182 CD2 LEU 75 1.465 17.034 10.606 1.00 0.00 -ATOM 1183 HD21 LEU 75 2.506 17.263 10.380 1.00 0.00 -ATOM 1184 HD22 LEU 75 1.334 16.970 11.686 1.00 0.00 -ATOM 1185 HD23 LEU 75 1.196 16.081 10.151 1.00 0.00 -ATOM 1186 C LEU 75 2.540 18.329 6.759 1.00 0.00 -ATOM 1187 O LEU 75 3.303 17.366 6.816 1.00 0.00 -ATOM 1188 N LYS 76 2.178 18.903 5.598 1.00 0.00 -ATOM 1189 H LYS 76 1.525 19.672 5.652 1.00 0.00 -ATOM 1190 CA LYS 76 2.669 18.500 4.278 1.00 0.00 -ATOM 1191 HA LYS 76 2.622 17.417 4.167 1.00 0.00 -ATOM 1192 CB LYS 76 1.782 19.146 3.192 1.00 0.00 -ATOM 1193 HB2 LYS 76 1.646 20.192 3.466 1.00 0.00 -ATOM 1194 HB3 LYS 76 2.328 19.085 2.250 1.00 0.00 -ATOM 1195 CG LYS 76 0.408 18.476 3.032 1.00 0.00 -ATOM 1196 HG2 LYS 76 0.578 17.424 2.803 1.00 0.00 -ATOM 1197 HG3 LYS 76 -0.113 18.560 3.986 1.00 0.00 -ATOM 1198 CD LYS 76 -0.449 19.110 1.922 1.00 0.00 -ATOM 1199 HD2 LYS 76 0.174 19.178 1.030 1.00 0.00 -ATOM 1200 HD3 LYS 76 -1.284 18.436 1.731 1.00 0.00 -ATOM 1201 CE LYS 76 -0.988 20.504 2.277 1.00 0.00 -ATOM 1202 HE2 LYS 76 -1.651 20.410 3.137 1.00 0.00 -ATOM 1203 HE3 LYS 76 -0.145 21.145 2.537 1.00 0.00 -ATOM 1204 NZ LYS 76 -1.727 21.099 1.151 1.00 0.00 -ATOM 1205 HZ1 LYS 76 -2.508 20.506 0.910 1.00 0.00 -ATOM 1206 HZ2 LYS 76 -2.067 22.012 1.416 1.00 0.00 -ATOM 1207 HZ3 LYS 76 -1.113 21.187 0.354 1.00 0.00 -ATOM 1208 C LYS 76 4.121 18.946 4.020 1.00 0.00 -ATOM 1209 O LYS 76 4.809 18.309 3.223 1.00 0.00 -ATOM 1210 N LYS 77 4.588 20.021 4.682 1.00 0.00 -ATOM 1211 H LYS 77 3.959 20.456 5.341 1.00 0.00 -ATOM 1212 CA LYS 77 5.931 20.589 4.523 1.00 0.00 -ATOM 1213 HA LYS 77 6.247 20.530 3.481 1.00 0.00 -ATOM 1214 CB LYS 77 5.913 22.071 4.949 1.00 0.00 -ATOM 1215 HB2 LYS 77 5.585 22.109 5.988 1.00 0.00 -ATOM 1216 HB3 LYS 77 6.934 22.445 4.877 1.00 0.00 -ATOM 1217 CG LYS 77 4.986 22.944 4.087 1.00 0.00 -ATOM 1218 HG2 LYS 77 5.319 22.867 3.052 1.00 0.00 -ATOM 1219 HG3 LYS 77 3.974 22.547 4.173 1.00 0.00 -ATOM 1220 CD LYS 77 4.996 24.415 4.519 1.00 0.00 -ATOM 1221 HD2 LYS 77 4.758 24.455 5.582 1.00 0.00 -ATOM 1222 HD3 LYS 77 6.000 24.807 4.357 1.00 0.00 -ATOM 1223 CE LYS 77 3.986 25.261 3.737 1.00 0.00 -ATOM 1224 HE2 LYS 77 4.180 25.134 2.672 1.00 0.00 -ATOM 1225 HE3 LYS 77 2.983 24.904 3.968 1.00 0.00 -ATOM 1226 NZ LYS 77 4.092 26.684 4.088 1.00 0.00 -ATOM 1227 HZ1 LYS 77 5.022 27.015 3.873 1.00 0.00 -ATOM 1228 HZ2 LYS 77 3.415 27.213 3.557 1.00 0.00 -ATOM 1229 HZ3 LYS 77 3.912 26.802 5.075 1.00 0.00 -ATOM 1230 C LYS 77 6.976 19.865 5.391 1.00 0.00 -ATOM 1231 O LYS 77 8.165 19.960 5.086 1.00 0.00 -ATOM 1232 N ILE 78 6.550 19.111 6.423 1.00 0.00 -ATOM 1233 H ILE 78 5.575 19.195 6.672 1.00 0.00 -ATOM 1234 CA ILE 78 7.396 18.220 7.221 1.00 0.00 -ATOM 1235 HA ILE 78 8.370 18.658 7.438 1.00 0.00 -ATOM 1236 CB ILE 78 6.679 17.855 8.562 1.00 0.00 -ATOM 1237 HB ILE 78 5.708 17.421 8.323 1.00 0.00 -ATOM 1238 CG2 ILE 78 7.500 16.849 9.400 1.00 0.00 -ATOM 1239 HG21 ILE 78 8.471 17.282 9.640 1.00 0.00 -ATOM 1240 HG22 ILE 78 6.966 16.623 10.323 1.00 0.00 -ATOM 1241 HG23 ILE 78 7.643 15.931 8.829 1.00 0.00 -ATOM 1242 CG1 ILE 78 6.363 19.116 9.405 1.00 0.00 -ATOM 1243 HG12 ILE 78 7.321 19.551 9.691 1.00 0.00 -ATOM 1244 HG13 ILE 78 5.832 19.807 8.750 1.00 0.00 -ATOM 1245 CD1 ILE 78 5.522 18.856 10.665 1.00 0.00 -ATOM 1246 HD11 ILE 78 6.053 18.166 11.321 1.00 0.00 -ATOM 1247 HD12 ILE 78 5.352 19.796 11.190 1.00 0.00 -ATOM 1248 HD13 ILE 78 4.564 18.421 10.380 1.00 0.00 -ATOM 1249 C ILE 78 7.667 16.977 6.350 1.00 0.00 -ATOM 1250 O ILE 78 6.823 16.088 6.239 1.00 0.00 -ATOM 1251 N SER 79 8.843 16.957 5.702 1.00 0.00 -ATOM 1252 H SER 79 9.444 17.752 5.862 1.00 0.00 -ATOM 1253 CA SER 79 9.293 15.924 4.767 1.00 0.00 -ATOM 1254 HA SER 79 8.481 15.611 4.110 1.00 0.00 -ATOM 1255 CB SER 79 10.426 16.521 3.902 1.00 0.00 -ATOM 1256 HB2 SER 79 10.643 15.806 3.109 1.00 0.00 -ATOM 1257 HB3 SER 79 10.050 17.446 3.464 1.00 0.00 -ATOM 1258 OG SER 79 11.610 16.791 4.631 1.00 0.00 -ATOM 1259 HG SER 79 12.272 17.158 4.041 1.00 0.00 -ATOM 1260 C SER 79 9.777 14.644 5.475 1.00 0.00 -ATOM 1261 O SER 79 9.822 13.588 4.844 1.00 0.00 -ATOM 1262 N SER 80 10.101 14.728 6.777 1.00 0.00 -ATOM 1263 H SER 80 10.116 15.656 7.175 1.00 0.00 -ATOM 1264 CA SER 80 10.420 13.599 7.644 1.00 0.00 -ATOM 1265 HA SER 80 11.061 12.880 7.134 1.00 0.00 -ATOM 1266 CB SER 80 11.176 14.149 8.875 1.00 0.00 -ATOM 1267 HB2 SER 80 12.105 14.603 8.530 1.00 0.00 -ATOM 1268 HB3 SER 80 10.553 14.910 9.345 1.00 0.00 -ATOM 1269 OG SER 80 11.469 13.133 9.815 1.00 0.00 -ATOM 1270 HG SER 80 11.937 13.513 10.562 1.00 0.00 -ATOM 1271 C SER 80 9.097 12.936 8.068 1.00 0.00 -ATOM 1272 O SER 80 8.335 13.507 8.847 1.00 0.00 -ATOM 1273 N GLU 81 8.827 11.735 7.531 1.00 0.00 -ATOM 1274 H GLU 81 9.503 11.384 6.868 1.00 0.00 -ATOM 1275 CA GLU 81 7.606 10.957 7.755 1.00 0.00 -ATOM 1276 HA GLU 81 6.722 11.552 7.527 1.00 0.00 -ATOM 1277 CB GLU 81 7.627 9.727 6.820 1.00 0.00 -ATOM 1278 HB2 GLU 81 7.591 10.111 5.801 1.00 0.00 -ATOM 1279 HB3 GLU 81 8.581 9.227 6.986 1.00 0.00 -ATOM 1280 CG GLU 81 6.476 8.720 7.031 1.00 0.00 -ATOM 1281 HG2 GLU 81 6.622 8.236 7.997 1.00 0.00 -ATOM 1282 HG3 GLU 81 5.537 9.273 7.041 1.00 0.00 -ATOM 1283 CD GLU 81 6.431 7.661 5.933 1.00 0.00 -ATOM 1284 OE1 GLU 81 7.432 6.921 5.814 1.00 0.00 -ATOM 1285 OE2 GLU 81 5.396 7.614 5.233 1.00 0.00 -ATOM 1286 C GLU 81 7.400 10.548 9.226 1.00 0.00 -ATOM 1287 O GLU 81 6.265 10.533 9.700 1.00 0.00 -ATOM 1288 N SER 82 8.497 10.253 9.945 1.00 0.00 -ATOM 1289 H SER 82 9.377 10.285 9.450 1.00 0.00 -ATOM 1290 CA SER 82 8.508 9.860 11.353 1.00 0.00 -ATOM 1291 HA SER 82 7.784 9.068 11.545 1.00 0.00 -ATOM 1292 CB SER 82 9.920 9.329 11.685 1.00 0.00 -ATOM 1293 HB2 SER 82 10.143 8.509 11.002 1.00 0.00 -ATOM 1294 HB3 SER 82 10.632 10.138 11.525 1.00 0.00 -ATOM 1295 OG SER 82 10.020 8.871 13.019 1.00 0.00 -ATOM 1296 HG SER 82 10.910 8.551 13.182 1.00 0.00 -ATOM 1297 C SER 82 8.138 11.033 12.282 1.00 0.00 -ATOM 1298 O SER 82 7.388 10.835 13.239 1.00 0.00 -ATOM 1299 N ALA 83 8.614 12.253 11.970 1.00 0.00 -ATOM 1300 H ALA 83 9.224 12.319 11.168 1.00 0.00 -ATOM 1301 CA ALA 83 8.302 13.477 12.707 1.00 0.00 -ATOM 1302 HA ALA 83 8.402 13.322 13.781 1.00 0.00 -ATOM 1303 CB ALA 83 9.279 14.582 12.277 1.00 0.00 -ATOM 1304 HB1 ALA 83 9.184 14.755 11.205 1.00 0.00 -ATOM 1305 HB2 ALA 83 9.048 15.502 12.815 1.00 0.00 -ATOM 1306 HB3 ALA 83 10.299 14.275 12.506 1.00 0.00 -ATOM 1307 C ALA 83 6.869 13.952 12.420 1.00 0.00 -ATOM 1308 O ALA 83 6.182 14.386 13.342 1.00 0.00 -ATOM 1309 N ARG 84 6.404 13.817 11.166 1.00 0.00 -ATOM 1310 H ARG 84 7.081 13.512 10.482 1.00 0.00 -ATOM 1311 CA ARG 84 5.049 14.133 10.709 1.00 0.00 -ATOM 1312 HA ARG 84 4.775 15.155 10.970 1.00 0.00 -ATOM 1313 CB ARG 84 5.023 13.992 9.170 1.00 0.00 -ATOM 1314 HB2 ARG 84 5.750 14.708 8.786 1.00 0.00 -ATOM 1315 HB3 ARG 84 5.361 12.979 8.951 1.00 0.00 -ATOM 1316 CG ARG 84 3.658 14.235 8.498 1.00 0.00 -ATOM 1317 HG2 ARG 84 2.989 13.430 8.802 1.00 0.00 -ATOM 1318 HG3 ARG 84 3.271 15.186 8.863 1.00 0.00 -ATOM 1319 CD ARG 84 3.748 14.274 6.967 1.00 0.00 -ATOM 1320 HD2 ARG 84 2.789 14.599 6.563 1.00 0.00 -ATOM 1321 HD3 ARG 84 4.524 14.982 6.675 1.00 0.00 -ATOM 1322 NE ARG 84 4.075 12.955 6.401 1.00 0.00 -ATOM 1323 HE ARG 84 3.558 12.182 6.794 1.00 0.00 -ATOM 1324 CZ ARG 84 4.973 12.700 5.432 1.00 0.00 -ATOM 1325 NH1 ARG 84 5.722 13.665 4.882 1.00 0.00 -ATOM 1326 HH11 ARG 84 5.620 14.620 5.195 1.00 0.00 -ATOM 1327 HH12 ARG 84 6.385 13.433 4.157 1.00 0.00 -ATOM 1328 NH2 ARG 84 5.134 11.444 4.999 1.00 0.00 -ATOM 1329 HH21 ARG 84 4.582 10.700 5.401 1.00 0.00 -ATOM 1330 HH22 ARG 84 5.806 11.246 4.272 1.00 0.00 -ATOM 1331 C ARG 84 3.981 13.244 11.375 1.00 0.00 -ATOM 1332 O ARG 84 2.903 13.738 11.702 1.00 0.00 -ATOM 1333 N ASN 85 4.291 11.955 11.601 1.00 0.00 -ATOM 1334 H ASN 85 5.209 11.657 11.302 1.00 0.00 -ATOM 1335 CA ASN 85 3.411 10.967 12.228 1.00 0.00 -ATOM 1336 HA ASN 85 2.404 11.017 11.813 1.00 0.00 -ATOM 1337 CB ASN 85 3.996 9.563 11.938 1.00 0.00 -ATOM 1338 HB2 ASN 85 4.224 9.514 10.873 1.00 0.00 -ATOM 1339 HB3 ASN 85 4.914 9.435 12.511 1.00 0.00 -ATOM 1340 CG ASN 85 3.037 8.420 12.287 1.00 0.00 -ATOM 1341 OD1 ASN 85 1.997 8.265 11.652 1.00 0.00 -ATOM 1342 ND2 ASN 85 3.374 7.629 13.308 1.00 0.00 -ATOM 1343 HD21 ASN 85 2.770 6.864 13.571 1.00 0.00 -ATOM 1344 HD22 ASN 85 4.232 7.799 13.813 1.00 0.00 -ATOM 1345 C ASN 85 3.313 11.186 13.751 1.00 0.00 -ATOM 1346 O ASN 85 2.227 11.023 14.309 1.00 0.00 -ATOM 1347 N TYR 86 4.416 11.583 14.414 1.00 0.00 -ATOM 1348 H TYR 86 5.275 11.650 13.887 1.00 0.00 -ATOM 1349 CA TYR 86 4.456 11.880 15.849 1.00 0.00 -ATOM 1350 HA TYR 86 4.009 11.063 16.415 1.00 0.00 -ATOM 1351 CB TYR 86 5.925 12.052 16.305 1.00 0.00 -ATOM 1352 HB2 TYR 86 6.332 11.045 16.211 1.00 0.00 -ATOM 1353 HB3 TYR 86 6.473 12.728 15.648 1.00 0.00 -ATOM 1354 CG TYR 86 6.064 12.522 17.746 1.00 0.00 -ATOM 1355 CD1 TYR 86 5.611 11.700 18.800 1.00 0.00 -ATOM 1356 HD1 TYR 86 5.282 10.682 18.592 1.00 0.00 -ATOM 1357 CE1 TYR 86 5.584 12.193 20.118 1.00 0.00 -ATOM 1358 HE1 TYR 86 5.236 11.556 20.931 1.00 0.00 -ATOM 1359 CZ TYR 86 6.019 13.503 20.388 1.00 0.00 -ATOM 1360 OH TYR 86 5.947 13.992 21.657 1.00 0.00 -ATOM 1361 HH TYR 86 5.585 13.360 22.283 1.00 0.00 -ATOM 1362 CE2 TYR 86 6.515 14.310 19.345 1.00 0.00 -ATOM 1363 HE2 TYR 86 6.882 15.313 19.561 1.00 0.00 -ATOM 1364 CD2 TYR 86 6.537 13.822 18.025 1.00 0.00 -ATOM 1365 HD2 TYR 86 6.919 14.448 17.219 1.00 0.00 -ATOM 1366 C TYR 86 3.652 13.147 16.196 1.00 0.00 -ATOM 1367 O TYR 86 2.972 13.175 17.220 1.00 0.00 -ATOM 1368 N ILE 87 3.721 14.183 15.350 1.00 0.00 -ATOM 1369 H ILE 87 4.371 14.090 14.583 1.00 0.00 -ATOM 1370 CA ILE 87 3.027 15.460 15.520 1.00 0.00 -ATOM 1371 HA ILE 87 3.089 15.915 16.509 1.00 0.00 -ATOM 1372 CB ILE 87 3.602 16.442 14.461 1.00 0.00 -ATOM 1373 HB ILE 87 3.759 15.859 13.553 1.00 0.00 -ATOM 1374 CG2 ILE 87 2.723 17.657 14.142 1.00 0.00 -ATOM 1375 HG21 ILE 87 2.566 18.241 15.049 1.00 0.00 -ATOM 1376 HG22 ILE 87 3.216 18.276 13.393 1.00 0.00 -ATOM 1377 HG23 ILE 87 1.761 17.319 13.757 1.00 0.00 -ATOM 1378 CG1 ILE 87 5.037 16.899 14.827 1.00 0.00 -ATOM 1379 HG12 ILE 87 5.585 16.001 15.114 1.00 0.00 -ATOM 1380 HG13 ILE 87 5.472 17.314 13.918 1.00 0.00 -ATOM 1381 CD1 ILE 87 5.126 17.936 15.956 1.00 0.00 -ATOM 1382 HD11 ILE 87 4.692 17.522 16.866 1.00 0.00 -ATOM 1383 HD12 ILE 87 6.171 18.190 16.136 1.00 0.00 -ATOM 1384 HD13 ILE 87 4.579 18.834 15.669 1.00 0.00 -ATOM 1385 C ILE 87 1.490 15.316 15.461 1.00 0.00 -ATOM 1386 O ILE 87 0.790 16.070 16.136 1.00 0.00 -ATOM 1387 N GLN 88 0.970 14.334 14.704 1.00 0.00 -ATOM 1388 H GLN 88 1.621 13.763 14.183 1.00 0.00 -ATOM 1389 CA GLN 88 -0.460 14.043 14.583 1.00 0.00 -ATOM 1390 HA GLN 88 -1.042 14.965 14.573 1.00 0.00 -ATOM 1391 CB GLN 88 -0.699 13.295 13.256 1.00 0.00 -ATOM 1392 HB2 GLN 88 -0.019 12.444 13.221 1.00 0.00 -ATOM 1393 HB3 GLN 88 -1.729 12.937 13.251 1.00 0.00 -ATOM 1394 CG GLN 88 -0.462 14.191 12.028 1.00 0.00 -ATOM 1395 HG2 GLN 88 -1.139 15.045 12.060 1.00 0.00 -ATOM 1396 HG3 GLN 88 0.569 14.544 12.054 1.00 0.00 -ATOM 1397 CD GLN 88 -0.687 13.439 10.718 1.00 0.00 -ATOM 1398 OE1 GLN 88 -1.813 13.068 10.396 1.00 0.00 -ATOM 1399 NE2 GLN 88 0.381 13.226 9.949 1.00 0.00 -ATOM 1400 HE21 GLN 88 0.279 12.733 9.074 1.00 0.00 -ATOM 1401 HE22 GLN 88 1.287 13.559 10.245 1.00 0.00 -ATOM 1402 C GLN 88 -0.990 13.169 15.738 1.00 0.00 -ATOM 1403 O GLN 88 -2.207 13.092 15.909 1.00 0.00 -ATOM 1404 N SER 89 -0.109 12.549 16.548 1.00 0.00 -ATOM 1405 H SER 89 0.863 12.568 16.276 1.00 0.00 -ATOM 1406 CA SER 89 -0.480 11.796 17.753 1.00 0.00 -ATOM 1407 HA SER 89 -1.430 11.283 17.603 1.00 0.00 -ATOM 1408 CB SER 89 0.613 10.738 18.053 1.00 0.00 -ATOM 1409 HB2 SER 89 0.134 9.952 18.637 1.00 0.00 -ATOM 1410 HB3 SER 89 0.928 10.334 17.091 1.00 0.00 -ATOM 1411 OG SER 89 1.744 11.225 18.754 1.00 0.00 -ATOM 1412 HG SER 89 2.366 10.507 18.896 1.00 0.00 -ATOM 1413 C SER 89 -0.701 12.718 18.974 1.00 0.00 -ATOM 1414 O SER 89 -1.264 12.269 19.972 1.00 0.00 -ATOM 1415 N LEU 90 -0.295 13.999 18.889 1.00 0.00 -ATOM 1416 H LEU 90 0.159 14.269 18.028 1.00 0.00 -ATOM 1417 CA LEU 90 -0.502 15.021 19.913 1.00 0.00 -ATOM 1418 HA LEU 90 -0.333 14.603 20.906 1.00 0.00 -ATOM 1419 CB LEU 90 0.498 16.182 19.688 1.00 0.00 -ATOM 1420 HB2 LEU 90 0.254 16.536 18.686 1.00 0.00 -ATOM 1421 HB3 LEU 90 0.300 16.974 20.411 1.00 0.00 -ATOM 1422 CG LEU 90 1.993 15.792 19.747 1.00 0.00 -ATOM 1423 HG LEU 90 2.172 14.971 19.052 1.00 0.00 -ATOM 1424 CD1 LEU 90 2.880 16.987 19.366 1.00 0.00 -ATOM 1425 HD11 LEU 90 2.702 17.808 20.061 1.00 0.00 -ATOM 1426 HD12 LEU 90 3.928 16.692 19.414 1.00 0.00 -ATOM 1427 HD13 LEU 90 2.640 17.310 18.353 1.00 0.00 -ATOM 1428 CD2 LEU 90 2.402 15.242 21.122 1.00 0.00 -ATOM 1429 HD21 LEU 90 1.814 14.353 21.348 1.00 0.00 -ATOM 1430 HD22 LEU 90 3.461 14.983 21.110 1.00 0.00 -ATOM 1431 HD23 LEU 90 2.222 15.999 21.885 1.00 0.00 -ATOM 1432 C LEU 90 -1.921 15.595 19.780 1.00 0.00 -ATOM 1433 O LEU 90 -2.416 15.792 18.668 1.00 0.00 -ATOM 1434 N THR 91 -2.560 15.888 20.926 1.00 0.00 -ATOM 1435 H THR 91 -2.076 15.650 21.780 1.00 0.00 -ATOM 1436 CA THR 91 -3.886 16.505 21.027 1.00 0.00 -ATOM 1437 HA THR 91 -4.594 15.947 20.415 1.00 0.00 -ATOM 1438 CB THR 91 -4.354 16.446 22.504 1.00 0.00 -ATOM 1439 HB THR 91 -3.574 16.915 23.104 1.00 0.00 -ATOM 1440 CG2 THR 91 -5.700 17.145 22.774 1.00 0.00 -ATOM 1441 HG21 THR 91 -6.480 16.676 22.175 1.00 0.00 -ATOM 1442 HG22 THR 91 -5.951 17.055 23.831 1.00 0.00 -ATOM 1443 HG23 THR 91 -5.622 18.199 22.508 1.00 0.00 -ATOM 1444 OG1 THR 91 -4.530 15.091 22.871 1.00 0.00 -ATOM 1445 HG1 THR 91 -4.820 15.042 23.785 1.00 0.00 -ATOM 1446 C THR 91 -3.789 17.963 20.547 1.00 0.00 -ATOM 1447 O THR 91 -2.883 18.690 20.959 1.00 0.00 -ATOM 1448 N GLN 92 -4.712 18.366 19.659 1.00 0.00 -ATOM 1449 H GLN 92 -5.455 17.718 19.438 1.00 0.00 -ATOM 1450 CA GLN 92 -4.687 19.652 18.969 1.00 0.00 -ATOM 1451 HA GLN 92 -3.690 19.845 18.572 1.00 0.00 -ATOM 1452 CB GLN 92 -5.688 19.638 17.799 1.00 0.00 -ATOM 1453 HB2 GLN 92 -6.659 19.335 18.191 1.00 0.00 -ATOM 1454 HB3 GLN 92 -5.756 20.651 17.404 1.00 0.00 -ATOM 1455 CG GLN 92 -5.266 18.673 16.670 1.00 0.00 -ATOM 1456 HG2 GLN 92 -4.219 18.849 16.422 1.00 0.00 -ATOM 1457 HG3 GLN 92 -5.386 17.653 17.035 1.00 0.00 -ATOM 1458 CD GLN 92 -6.104 18.839 15.400 1.00 0.00 -ATOM 1459 OE1 GLN 92 -6.375 19.956 14.965 1.00 0.00 -ATOM 1460 NE2 GLN 92 -6.509 17.725 14.788 1.00 0.00 -ATOM 1461 HE21 GLN 92 -7.064 17.788 13.947 1.00 0.00 -ATOM 1462 HE22 GLN 92 -6.259 16.824 15.169 1.00 0.00 -ATOM 1463 C GLN 92 -5.019 20.805 19.928 1.00 0.00 -ATOM 1464 O GLN 92 -6.079 20.817 20.556 1.00 0.00 -ATOM 1465 N MET 93 -4.081 21.756 20.033 1.00 0.00 -ATOM 1466 H MET 93 -3.265 21.624 19.452 1.00 0.00 -ATOM 1467 CA MET 93 -4.161 22.962 20.850 1.00 0.00 -ATOM 1468 HA MET 93 -4.997 22.897 21.547 1.00 0.00 -ATOM 1469 CB MET 93 -2.854 23.110 21.659 1.00 0.00 -ATOM 1470 HB2 MET 93 -2.025 23.052 20.954 1.00 0.00 -ATOM 1471 HB3 MET 93 -2.867 24.096 22.124 1.00 0.00 -ATOM 1472 CG MET 93 -2.679 22.036 22.743 1.00 0.00 -ATOM 1473 HG2 MET 93 -3.498 22.158 23.452 1.00 0.00 -ATOM 1474 HG3 MET 93 -2.766 21.067 22.252 1.00 0.00 -ATOM 1475 SD MET 93 -1.103 22.113 23.635 1.00 0.00 -ATOM 1476 CE MET 93 -0.001 21.373 22.400 1.00 0.00 -ATOM 1477 HE1 MET 93 -0.022 21.971 21.489 1.00 0.00 -ATOM 1478 HE2 MET 93 1.016 21.344 22.791 1.00 0.00 -ATOM 1479 HE3 MET 93 -0.333 20.359 22.177 1.00 0.00 -ATOM 1480 C MET 93 -4.277 24.181 19.917 1.00 0.00 -ATOM 1481 O MET 93 -3.562 24.235 18.913 1.00 0.00 -ATOM 1482 N PRO 94 -5.107 25.192 20.253 1.00 0.00 -ATOM 1483 CD PRO 94 -6.071 25.188 21.357 1.00 0.00 -ATOM 1484 HD2 PRO 94 -5.527 24.981 22.279 1.00 0.00 -ATOM 1485 HD3 PRO 94 -6.791 24.391 21.173 1.00 0.00 -ATOM 1486 CG PRO 94 -6.721 26.572 21.357 1.00 0.00 -ATOM 1487 HG2 PRO 94 -6.242 27.221 22.091 1.00 0.00 -ATOM 1488 HG3 PRO 94 -7.785 26.496 21.580 1.00 0.00 -ATOM 1489 CB PRO 94 -6.498 27.077 19.940 1.00 0.00 -ATOM 1490 HB2 PRO 94 -6.415 28.163 19.981 1.00 0.00 -ATOM 1491 HB3 PRO 94 -7.268 26.799 19.221 1.00 0.00 -ATOM 1492 CA PRO 94 -5.150 26.466 19.527 1.00 0.00 -ATOM 1493 HA PRO 94 -5.078 26.265 18.458 1.00 0.00 -ATOM 1494 C PRO 94 -3.986 27.380 19.956 1.00 0.00 -ATOM 1495 O PRO 94 -3.327 27.138 20.970 1.00 0.00 -ATOM 1496 N LYS 95 -3.767 28.461 19.194 1.00 0.00 -ATOM 1497 H LYS 95 -4.282 28.519 18.327 1.00 0.00 -ATOM 1498 CA LYS 95 -2.851 29.548 19.529 1.00 0.00 -ATOM 1499 HA LYS 95 -1.858 29.166 19.764 1.00 0.00 -ATOM 1500 CB LYS 95 -2.744 30.475 18.296 1.00 0.00 -ATOM 1501 HB2 LYS 95 -2.454 29.847 17.454 1.00 0.00 -ATOM 1502 HB3 LYS 95 -3.740 30.881 18.120 1.00 0.00 -ATOM 1503 CG LYS 95 -1.736 31.632 18.444 1.00 0.00 -ATOM 1504 HG2 LYS 95 -1.853 32.048 19.445 1.00 0.00 -ATOM 1505 HG3 LYS 95 -0.734 31.215 18.339 1.00 0.00 -ATOM 1506 CD LYS 95 -1.941 32.742 17.401 1.00 0.00 -ATOM 1507 HD2 LYS 95 -1.593 32.361 16.441 1.00 0.00 -ATOM 1508 HD3 LYS 95 -3.010 32.948 17.344 1.00 0.00 -ATOM 1509 CE LYS 95 -1.187 34.037 17.742 1.00 0.00 -ATOM 1510 HE2 LYS 95 -0.158 33.785 18.000 1.00 0.00 -ATOM 1511 HE3 LYS 95 -1.193 34.685 16.866 1.00 0.00 -ATOM 1512 NZ LYS 95 -1.819 34.736 18.874 1.00 0.00 -ATOM 1513 HZ1 LYS 95 -1.813 34.135 19.686 1.00 0.00 -ATOM 1514 HZ2 LYS 95 -1.305 35.581 19.077 1.00 0.00 -ATOM 1515 HZ3 LYS 95 -2.772 34.970 18.635 1.00 0.00 -ATOM 1516 C LYS 95 -3.410 30.328 20.736 1.00 0.00 -ATOM 1517 O LYS 95 -4.588 30.689 20.749 1.00 0.00 -ATOM 1518 N MET 96 -2.553 30.606 21.729 1.00 0.00 -ATOM 1519 H MET 96 -1.622 30.223 21.651 1.00 0.00 -ATOM 1520 CA MET 96 -2.868 31.432 22.895 1.00 0.00 -ATOM 1521 HA MET 96 -3.841 31.159 23.304 1.00 0.00 -ATOM 1522 CB MET 96 -1.794 31.205 23.982 1.00 0.00 -ATOM 1523 HB2 MET 96 -0.824 31.152 23.488 1.00 0.00 -ATOM 1524 HB3 MET 96 -1.812 32.062 24.655 1.00 0.00 -ATOM 1525 CG MET 96 -2.029 29.919 24.786 1.00 0.00 -ATOM 1526 HG2 MET 96 -3.000 30.015 25.272 1.00 0.00 -ATOM 1527 HG3 MET 96 -2.059 29.094 24.074 1.00 0.00 -ATOM 1528 SD MET 96 -0.764 29.577 26.042 1.00 0.00 -ATOM 1529 CE MET 96 -1.320 30.687 27.362 1.00 0.00 -ATOM 1530 HE1 MET 96 -2.330 30.413 27.666 1.00 0.00 -ATOM 1531 HE2 MET 96 -0.648 30.602 28.216 1.00 0.00 -ATOM 1532 HE3 MET 96 -1.316 31.715 26.999 1.00 0.00 -ATOM 1533 C MET 96 -2.868 32.923 22.519 1.00 0.00 -ATOM 1534 O MET 96 -2.261 33.334 21.530 1.00 0.00 -ATOM 1535 N ASN 97 -3.533 33.737 23.349 1.00 0.00 -ATOM 1536 H ASN 97 -4.051 33.298 24.097 1.00 0.00 -ATOM 1537 CA ASN 97 -3.537 35.194 23.267 1.00 0.00 -ATOM 1538 HA ASN 97 -3.677 35.536 22.242 1.00 0.00 -ATOM 1539 CB ASN 97 -4.727 35.691 24.121 1.00 0.00 -ATOM 1540 HB2 ASN 97 -5.605 35.093 23.876 1.00 0.00 -ATOM 1541 HB3 ASN 97 -4.463 35.536 25.167 1.00 0.00 -ATOM 1542 CG ASN 97 -5.070 37.171 23.916 1.00 0.00 -ATOM 1543 OD1 ASN 97 -4.210 38.038 24.040 1.00 0.00 -ATOM 1544 ND2 ASN 97 -6.327 37.468 23.584 1.00 0.00 -ATOM 1545 HD21 ASN 97 -6.594 38.431 23.440 1.00 0.00 -ATOM 1546 HD22 ASN 97 -7.006 36.728 23.478 1.00 0.00 -ATOM 1547 C ASN 97 -2.201 35.678 23.862 1.00 0.00 -ATOM 1548 O ASN 97 -1.939 35.476 25.048 1.00 0.00 -ATOM 1549 N PHE 98 -1.357 36.308 23.028 1.00 0.00 -ATOM 1550 H PHE 98 -1.668 36.448 22.077 1.00 0.00 -ATOM 1551 CA PHE 98 -0.009 36.756 23.391 1.00 0.00 -ATOM 1552 HA PHE 98 0.509 35.970 23.940 1.00 0.00 -ATOM 1553 CB PHE 98 0.804 37.088 22.116 1.00 0.00 -ATOM 1554 HB2 PHE 98 0.149 37.527 21.363 1.00 0.00 -ATOM 1555 HB3 PHE 98 1.569 37.812 22.398 1.00 0.00 -ATOM 1556 CG PHE 98 1.529 35.928 21.442 1.00 0.00 -ATOM 1557 CD1 PHE 98 0.889 34.690 21.219 1.00 0.00 -ATOM 1558 HD1 PHE 98 -0.134 34.547 21.567 1.00 0.00 -ATOM 1559 CE1 PHE 98 1.560 33.645 20.554 1.00 0.00 -ATOM 1560 HE1 PHE 98 1.057 32.693 20.384 1.00 0.00 -ATOM 1561 CZ PHE 98 2.882 33.831 20.109 1.00 0.00 -ATOM 1562 HZ PHE 98 3.402 33.026 19.589 1.00 0.00 -ATOM 1563 CE2 PHE 98 3.532 35.057 20.336 1.00 0.00 -ATOM 1564 HE2 PHE 98 4.559 35.199 19.999 1.00 0.00 -ATOM 1565 CD2 PHE 98 2.858 36.101 20.998 1.00 0.00 -ATOM 1566 HD2 PHE 98 3.362 37.052 21.171 1.00 0.00 -ATOM 1567 C PHE 98 -0.021 37.985 24.323 1.00 0.00 -ATOM 1568 O PHE 98 0.969 38.205 25.016 1.00 0.00 -ATOM 1569 N ALA 99 -1.127 38.748 24.402 1.00 0.00 -ATOM 1570 H ALA 99 -1.886 38.549 23.766 1.00 0.00 -ATOM 1571 CA ALA 99 -1.288 39.851 25.353 1.00 0.00 -ATOM 1572 HA ALA 99 -0.371 40.438 25.403 1.00 0.00 -ATOM 1573 CB ALA 99 -2.431 40.765 24.881 1.00 0.00 -ATOM 1574 HB1 ALA 99 -3.358 40.194 24.835 1.00 0.00 -ATOM 1575 HB2 ALA 99 -2.549 41.592 25.582 1.00 0.00 -ATOM 1576 HB3 ALA 99 -2.197 41.158 23.892 1.00 0.00 -ATOM 1577 C ALA 99 -1.619 39.347 26.773 1.00 0.00 -ATOM 1578 O ALA 99 -1.382 40.074 27.737 1.00 0.00 -ATOM 1579 N ASN 100 -2.124 38.106 26.909 1.00 0.00 -ATOM 1580 H ASN 100 -2.361 37.619 26.057 1.00 0.00 -ATOM 1581 CA ASN 100 -2.350 37.422 28.187 1.00 0.00 -ATOM 1582 HA ASN 100 -2.532 38.152 28.976 1.00 0.00 -ATOM 1583 CB ASN 100 -3.587 36.493 28.077 1.00 0.00 -ATOM 1584 HB2 ASN 100 -3.425 35.771 27.277 1.00 0.00 -ATOM 1585 HB3 ASN 100 -3.642 35.970 29.032 1.00 0.00 -ATOM 1586 CG ASN 100 -4.924 37.207 27.830 1.00 0.00 -ATOM 1587 OD1 ASN 100 -5.806 36.651 27.181 1.00 0.00 -ATOM 1588 ND2 ASN 100 -5.113 38.410 28.378 1.00 0.00 -ATOM 1589 HD21 ASN 100 -5.985 38.898 28.229 1.00 0.00 -ATOM 1590 HD22 ASN 100 -4.384 38.826 28.939 1.00 0.00 -ATOM 1591 C ASN 100 -1.142 36.555 28.603 1.00 0.00 -ATOM 1592 O ASN 100 -1.112 36.086 29.739 1.00 0.00 -ATOM 1593 N VAL 101 -0.142 36.368 27.723 1.00 0.00 -ATOM 1594 H VAL 101 -0.304 36.690 26.779 1.00 0.00 -ATOM 1595 CA VAL 101 1.140 35.724 28.028 1.00 0.00 -ATOM 1596 HA VAL 101 1.086 35.029 28.866 1.00 0.00 -ATOM 1597 CB VAL 101 1.632 34.950 26.770 1.00 0.00 -ATOM 1598 HB VAL 101 1.545 35.630 25.923 1.00 0.00 -ATOM 1599 CG1 VAL 101 3.084 34.433 26.867 1.00 0.00 -ATOM 1600 HG11 VAL 101 3.172 33.752 27.714 1.00 0.00 -ATOM 1601 HG12 VAL 101 3.345 33.906 25.949 1.00 0.00 -ATOM 1602 HG13 VAL 101 3.762 35.275 27.007 1.00 0.00 -ATOM 1603 CG2 VAL 101 0.700 33.764 26.461 1.00 0.00 -ATOM 1604 HG21 VAL 101 -0.309 34.133 26.275 1.00 0.00 -ATOM 1605 HG22 VAL 101 1.062 33.237 25.578 1.00 0.00 -ATOM 1606 HG23 VAL 101 0.686 33.081 27.311 1.00 0.00 -ATOM 1607 C VAL 101 2.153 36.811 28.432 1.00 0.00 -ATOM 1608 O VAL 101 2.828 36.668 29.451 1.00 0.00 -ATOM 1609 N PHE 102 2.242 37.897 27.646 1.00 0.00 -ATOM 1610 H PHE 102 1.631 37.908 26.842 1.00 0.00 -ATOM 1611 CA PHE 102 3.149 39.025 27.841 1.00 0.00 -ATOM 1612 HA PHE 102 3.944 38.767 28.541 1.00 0.00 -ATOM 1613 CB PHE 102 3.787 39.379 26.476 1.00 0.00 -ATOM 1614 HB2 PHE 102 2.993 39.617 25.768 1.00 0.00 -ATOM 1615 HB3 PHE 102 4.462 40.230 26.565 1.00 0.00 -ATOM 1616 CG PHE 102 4.594 38.247 25.860 1.00 0.00 -ATOM 1617 CD1 PHE 102 4.194 37.661 24.640 1.00 0.00 -ATOM 1618 HD1 PHE 102 3.321 38.047 24.115 1.00 0.00 -ATOM 1619 CE1 PHE 102 4.919 36.581 24.101 1.00 0.00 -ATOM 1620 HE1 PHE 102 4.600 36.122 23.165 1.00 0.00 -ATOM 1621 CZ PHE 102 6.056 36.094 24.771 1.00 0.00 -ATOM 1622 HZ PHE 102 6.623 35.264 24.349 1.00 0.00 -ATOM 1623 CE2 PHE 102 6.462 36.678 25.986 1.00 0.00 -ATOM 1624 HE2 PHE 102 7.339 36.296 26.508 1.00 0.00 -ATOM 1625 CD2 PHE 102 5.735 37.755 26.527 1.00 0.00 -ATOM 1626 HD2 PHE 102 6.053 38.211 27.464 1.00 0.00 -ATOM 1627 C PHE 102 2.340 40.202 28.412 1.00 0.00 -ATOM 1628 O PHE 102 2.140 41.221 27.749 1.00 0.00 -ATOM 1629 N ILE 103 1.863 40.036 29.659 1.00 0.00 -ATOM 1630 H ILE 103 2.106 39.163 30.104 1.00 0.00 -ATOM 1631 CA ILE 103 1.026 40.984 30.399 1.00 0.00 -ATOM 1632 HA ILE 103 0.217 41.393 29.794 1.00 0.00 -ATOM 1633 CB ILE 103 0.430 40.285 31.660 1.00 0.00 -ATOM 1634 HB ILE 103 1.256 39.905 32.261 1.00 0.00 -ATOM 1635 CG2 ILE 103 -0.424 41.254 32.513 1.00 0.00 -ATOM 1636 HG21 ILE 103 -1.251 41.634 31.913 1.00 0.00 -ATOM 1637 HG22 ILE 103 -0.818 40.724 33.380 1.00 0.00 -ATOM 1638 HG23 ILE 103 0.195 42.087 32.847 1.00 0.00 -ATOM 1639 CG1 ILE 103 -0.401 39.033 31.286 1.00 0.00 -ATOM 1640 HG12 ILE 103 -1.299 39.385 30.778 1.00 0.00 -ATOM 1641 HG13 ILE 103 0.201 38.445 30.593 1.00 0.00 -ATOM 1642 CD1 ILE 103 -0.800 38.160 32.485 1.00 0.00 -ATOM 1643 HD11 ILE 103 -1.402 38.747 33.178 1.00 0.00 -ATOM 1644 HD12 ILE 103 -1.379 37.305 32.136 1.00 0.00 -ATOM 1645 HD13 ILE 103 0.098 37.807 32.993 1.00 0.00 -ATOM 1646 C ILE 103 1.885 42.192 30.811 1.00 0.00 -ATOM 1647 O ILE 103 2.876 42.040 31.528 1.00 0.00 -ATOM 1648 N GLY 104 1.502 43.383 30.331 1.00 0.00 -ATOM 1649 H GLY 104 0.721 43.385 29.690 1.00 0.00 -ATOM 1650 CA GLY 104 2.127 44.660 30.666 1.00 0.00 -ATOM 1651 HA2 GLY 104 1.337 45.377 30.890 1.00 0.00 -ATOM 1652 HA3 GLY 104 2.746 44.514 31.551 1.00 0.00 -ATOM 1653 C GLY 104 2.998 45.214 29.534 1.00 0.00 -ATOM 1654 O GLY 104 3.413 46.370 29.603 1.00 0.00 -ATOM 1655 N ALA 105 3.288 44.392 28.509 1.00 0.00 -ATOM 1656 H ALA 105 2.865 43.475 28.537 1.00 0.00 -ATOM 1657 CA ALA 105 4.145 44.723 27.376 1.00 0.00 -ATOM 1658 HA ALA 105 5.056 45.226 27.700 1.00 0.00 -ATOM 1659 CB ALA 105 4.532 43.413 26.667 1.00 0.00 -ATOM 1660 HB1 ALA 105 3.630 42.902 26.329 1.00 0.00 -ATOM 1661 HB2 ALA 105 5.166 43.637 25.809 1.00 0.00 -ATOM 1662 HB3 ALA 105 5.075 42.770 27.360 1.00 0.00 -ATOM 1663 C ALA 105 3.425 45.634 26.369 1.00 0.00 -ATOM 1664 O ALA 105 2.195 45.689 26.331 1.00 0.00 -ATOM 1665 N ASN 106 4.219 46.324 25.532 1.00 0.00 -ATOM 1666 H ASN 106 5.210 46.218 25.698 1.00 0.00 -ATOM 1667 CA ASN 106 3.788 47.198 24.437 1.00 0.00 -ATOM 1668 HA ASN 106 3.198 48.037 24.807 1.00 0.00 -ATOM 1669 CB ASN 106 5.070 47.753 23.759 1.00 0.00 -ATOM 1670 HB2 ASN 106 5.745 48.070 24.554 1.00 0.00 -ATOM 1671 HB3 ASN 106 5.521 46.928 23.207 1.00 0.00 -ATOM 1672 CG ASN 106 4.859 48.931 22.795 1.00 0.00 -ATOM 1673 OD1 ASN 106 3.918 48.949 22.006 1.00 0.00 -ATOM 1674 ND2 ASN 106 5.738 49.932 22.856 1.00 0.00 -ATOM 1675 HD21 ASN 106 5.637 50.726 22.241 1.00 0.00 -ATOM 1676 HD22 ASN 106 6.500 49.891 23.517 1.00 0.00 -ATOM 1677 C ASN 106 2.938 46.386 23.428 1.00 0.00 -ATOM 1678 O ASN 106 3.392 45.321 23.013 1.00 0.00 -ATOM 1679 N PRO 107 1.738 46.856 23.011 1.00 0.00 -ATOM 1680 CD PRO 107 1.026 47.983 23.617 1.00 0.00 -ATOM 1681 HD2 PRO 107 1.591 48.890 23.405 1.00 0.00 -ATOM 1682 HD3 PRO 107 0.994 47.820 24.694 1.00 0.00 -ATOM 1683 CG PRO 107 -0.366 47.998 22.988 1.00 0.00 -ATOM 1684 HG2 PRO 107 -0.688 49.025 22.818 1.00 0.00 -ATOM 1685 HG3 PRO 107 -1.078 47.499 23.645 1.00 0.00 -ATOM 1686 CB PRO 107 -0.213 47.242 21.682 1.00 0.00 -ATOM 1687 HB2 PRO 107 0.045 47.890 20.845 1.00 0.00 -ATOM 1688 HB3 PRO 107 -1.134 46.705 21.454 1.00 0.00 -ATOM 1689 CA PRO 107 0.925 46.244 21.940 1.00 0.00 -ATOM 1690 HA PRO 107 0.530 45.314 22.349 1.00 0.00 -ATOM 1691 C PRO 107 1.669 45.950 20.621 1.00 0.00 -ATOM 1692 O PRO 107 1.340 44.972 19.954 1.00 0.00 -ATOM 1693 N LEU 108 2.677 46.766 20.270 1.00 0.00 -ATOM 1694 H LEU 108 2.863 47.540 20.892 1.00 0.00 -ATOM 1695 CA LEU 108 3.517 46.613 19.082 1.00 0.00 -ATOM 1696 HA LEU 108 2.918 46.301 18.226 1.00 0.00 -ATOM 1697 CB LEU 108 4.174 47.973 18.756 1.00 0.00 -ATOM 1698 HB2 LEU 108 4.733 48.213 19.660 1.00 0.00 -ATOM 1699 HB3 LEU 108 4.867 47.850 17.923 1.00 0.00 -ATOM 1700 CG LEU 108 3.189 49.119 18.441 1.00 0.00 -ATOM 1701 HG LEU 108 2.431 49.162 19.224 1.00 0.00 -ATOM 1702 CD1 LEU 108 3.932 50.461 18.375 1.00 0.00 -ATOM 1703 HD11 LEU 108 4.689 50.419 17.592 1.00 0.00 -ATOM 1704 HD12 LEU 108 3.223 51.259 18.152 1.00 0.00 -ATOM 1705 HD13 LEU 108 4.411 50.659 19.334 1.00 0.00 -ATOM 1706 CD2 LEU 108 2.410 48.869 17.140 1.00 0.00 -ATOM 1707 HD21 LEU 108 1.839 47.945 17.230 1.00 0.00 -ATOM 1708 HD22 LEU 108 1.729 49.701 16.958 1.00 0.00 -ATOM 1709 HD23 LEU 108 3.109 48.784 16.308 1.00 0.00 -ATOM 1710 C LEU 108 4.640 45.579 19.297 1.00 0.00 -ATOM 1711 O LEU 108 5.085 44.974 18.323 1.00 0.00 -ATOM 1712 N ALA 109 5.066 45.330 20.551 1.00 0.00 -ATOM 1713 H ALA 109 4.713 45.918 21.293 1.00 0.00 -ATOM 1714 CA ALA 109 6.000 44.257 20.900 1.00 0.00 -ATOM 1715 HA ALA 109 6.841 44.241 20.206 1.00 0.00 -ATOM 1716 CB ALA 109 6.543 44.459 22.326 1.00 0.00 -ATOM 1717 HB1 ALA 109 5.714 44.468 23.033 1.00 0.00 -ATOM 1718 HB2 ALA 109 7.223 43.645 22.575 1.00 0.00 -ATOM 1719 HB3 ALA 109 7.077 45.408 22.381 1.00 0.00 -ATOM 1720 C ALA 109 5.298 42.893 20.845 1.00 0.00 -ATOM 1721 O ALA 109 5.860 41.943 20.304 1.00 0.00 -ATOM 1722 N VAL 110 4.056 42.822 21.358 1.00 0.00 -ATOM 1723 H VAL 110 3.765 43.641 21.873 1.00 0.00 -ATOM 1724 CA VAL 110 3.151 41.670 21.315 1.00 0.00 -ATOM 1725 HA VAL 110 3.592 40.742 21.679 1.00 0.00 -ATOM 1726 CB VAL 110 1.895 41.996 22.178 1.00 0.00 -ATOM 1727 HB VAL 110 1.560 42.991 21.886 1.00 0.00 -ATOM 1728 CG1 VAL 110 0.733 40.996 22.021 1.00 0.00 -ATOM 1729 HG11 VAL 110 1.068 40.001 22.313 1.00 0.00 -ATOM 1730 HG12 VAL 110 -0.098 41.301 22.657 1.00 0.00 -ATOM 1731 HG13 VAL 110 0.406 40.978 20.981 1.00 0.00 -ATOM 1732 CG2 VAL 110 2.261 42.110 23.669 1.00 0.00 -ATOM 1733 HG21 VAL 110 2.993 42.907 23.804 1.00 0.00 -ATOM 1734 HG22 VAL 110 1.365 42.338 24.247 1.00 0.00 -ATOM 1735 HG23 VAL 110 2.684 41.166 24.013 1.00 0.00 -ATOM 1736 C VAL 110 2.791 41.296 19.863 1.00 0.00 -ATOM 1737 O VAL 110 2.821 40.115 19.519 1.00 0.00 -ATOM 1738 N ASP 111 2.495 42.300 19.018 1.00 0.00 -ATOM 1739 H ASP 111 2.450 43.223 19.426 1.00 0.00 -ATOM 1740 CA ASP 111 2.158 42.150 17.602 1.00 0.00 -ATOM 1741 HA ASP 111 1.377 41.402 17.467 1.00 0.00 -ATOM 1742 CB ASP 111 1.636 43.511 17.076 1.00 0.00 -ATOM 1743 HB2 ASP 111 0.803 43.794 17.720 1.00 0.00 -ATOM 1744 HB3 ASP 111 2.451 44.223 17.204 1.00 0.00 -ATOM 1745 CG ASP 111 1.177 43.519 15.614 1.00 0.00 -ATOM 1746 OD1 ASP 111 0.339 42.657 15.270 1.00 0.00 -ATOM 1747 OD2 ASP 111 1.668 44.388 14.860 1.00 0.00 -ATOM 1748 C ASP 111 3.349 41.631 16.769 1.00 0.00 -ATOM 1749 O ASP 111 3.153 40.775 15.909 1.00 0.00 -ATOM 1750 N LEU 112 4.578 42.103 17.049 1.00 0.00 -ATOM 1751 H LEU 112 4.652 42.834 17.742 1.00 0.00 -ATOM 1752 CA LEU 112 5.802 41.656 16.378 1.00 0.00 -ATOM 1753 HA LEU 112 5.650 41.607 15.300 1.00 0.00 -ATOM 1754 CB LEU 112 6.937 42.665 16.672 1.00 0.00 -ATOM 1755 HB2 LEU 112 6.525 43.601 16.294 1.00 0.00 -ATOM 1756 HB3 LEU 112 7.094 42.746 17.748 1.00 0.00 -ATOM 1757 CG LEU 112 8.289 42.378 15.974 1.00 0.00 -ATOM 1758 HG LEU 112 8.627 41.397 16.309 1.00 0.00 -ATOM 1759 CD1 LEU 112 8.204 42.394 14.438 1.00 0.00 -ATOM 1760 HD11 LEU 112 7.866 43.375 14.102 1.00 0.00 -ATOM 1761 HD12 LEU 112 9.188 42.185 14.017 1.00 0.00 -ATOM 1762 HD13 LEU 112 7.498 41.633 14.105 1.00 0.00 -ATOM 1763 CD2 LEU 112 9.365 43.352 16.460 1.00 0.00 -ATOM 1764 HD21 LEU 112 9.494 43.244 17.537 1.00 0.00 -ATOM 1765 HD22 LEU 112 10.307 43.134 15.958 1.00 0.00 -ATOM 1766 HD23 LEU 112 9.061 44.374 16.232 1.00 0.00 -ATOM 1767 C LEU 112 6.216 40.239 16.825 1.00 0.00 -ATOM 1768 O LEU 112 6.686 39.469 15.990 1.00 0.00 -ATOM 1769 N LEU 113 6.007 39.874 18.105 1.00 0.00 -ATOM 1770 H LEU 113 5.676 40.590 18.736 1.00 0.00 -ATOM 1771 CA LEU 113 6.276 38.537 18.649 1.00 0.00 -ATOM 1772 HA LEU 113 7.305 38.249 18.435 1.00 0.00 -ATOM 1773 CB LEU 113 6.070 38.530 20.182 1.00 0.00 -ATOM 1774 HB2 LEU 113 5.205 39.171 20.351 1.00 0.00 -ATOM 1775 HB3 LEU 113 5.838 37.516 20.506 1.00 0.00 -ATOM 1776 CG LEU 113 7.272 39.065 20.987 1.00 0.00 -ATOM 1777 HG LEU 113 7.674 39.944 20.483 1.00 0.00 -ATOM 1778 CD1 LEU 113 6.839 39.445 22.409 1.00 0.00 -ATOM 1779 HD11 LEU 113 6.437 38.567 22.914 1.00 0.00 -ATOM 1780 HD12 LEU 113 7.699 39.821 22.963 1.00 0.00 -ATOM 1781 HD13 LEU 113 6.072 40.218 22.361 1.00 0.00 -ATOM 1782 CD2 LEU 113 8.422 38.047 21.047 1.00 0.00 -ATOM 1783 HD21 LEU 113 8.762 37.822 20.036 1.00 0.00 -ATOM 1784 HD22 LEU 113 9.248 38.464 21.623 1.00 0.00 -ATOM 1785 HD23 LEU 113 8.073 37.131 21.524 1.00 0.00 -ATOM 1786 C LEU 113 5.400 37.447 18.013 1.00 0.00 -ATOM 1787 O LEU 113 5.891 36.343 17.790 1.00 0.00 -ATOM 1788 N GLU 114 4.139 37.763 17.667 1.00 0.00 -ATOM 1789 H GLU 114 3.823 38.695 17.894 1.00 0.00 -ATOM 1790 CA GLU 114 3.210 36.863 16.980 1.00 0.00 -ATOM 1791 HA GLU 114 3.153 35.904 17.495 1.00 0.00 -ATOM 1792 CB GLU 114 1.809 37.503 16.976 1.00 0.00 -ATOM 1793 HB2 GLU 114 1.923 38.552 16.701 1.00 0.00 -ATOM 1794 HB3 GLU 114 1.212 36.992 16.220 1.00 0.00 -ATOM 1795 CG GLU 114 1.104 37.405 18.337 1.00 0.00 -ATOM 1796 HG2 GLU 114 0.986 36.348 18.577 1.00 0.00 -ATOM 1797 HG3 GLU 114 1.752 37.875 19.077 1.00 0.00 -ATOM 1798 CD GLU 114 -0.262 38.085 18.352 1.00 0.00 -ATOM 1799 OE1 GLU 114 -0.379 39.181 17.763 1.00 0.00 -ATOM 1800 OE2 GLU 114 -1.181 37.492 18.955 1.00 0.00 -ATOM 1801 C GLU 114 3.615 36.608 15.518 1.00 0.00 -ATOM 1802 O GLU 114 3.307 35.539 14.993 1.00 0.00 -ATOM 1803 N LYS 115 4.306 37.566 14.876 1.00 0.00 -ATOM 1804 H LYS 115 4.529 38.398 15.404 1.00 0.00 -ATOM 1805 CA LYS 115 4.758 37.484 13.487 1.00 0.00 -ATOM 1806 HA LYS 115 4.047 36.920 12.883 1.00 0.00 -ATOM 1807 CB LYS 115 4.864 38.913 12.917 1.00 0.00 -ATOM 1808 HB2 LYS 115 5.474 39.502 13.602 1.00 0.00 -ATOM 1809 HB3 LYS 115 5.363 38.851 11.950 1.00 0.00 -ATOM 1810 CG LYS 115 3.495 39.585 12.744 1.00 0.00 -ATOM 1811 HG2 LYS 115 2.903 38.963 12.073 1.00 0.00 -ATOM 1812 HG3 LYS 115 3.017 39.620 13.723 1.00 0.00 -ATOM 1813 CD LYS 115 3.593 41.008 12.171 1.00 0.00 -ATOM 1814 HD2 LYS 115 4.524 41.445 12.531 1.00 0.00 -ATOM 1815 HD3 LYS 115 3.627 40.925 11.085 1.00 0.00 -ATOM 1816 CE LYS 115 2.417 41.904 12.578 1.00 0.00 -ATOM 1817 HE2 LYS 115 2.442 42.015 13.662 1.00 0.00 -ATOM 1818 HE3 LYS 115 2.562 42.878 12.110 1.00 0.00 -ATOM 1819 NZ LYS 115 1.113 41.353 12.171 1.00 0.00 -ATOM 1820 HZ1 LYS 115 0.978 40.451 12.605 1.00 0.00 -ATOM 1821 HZ2 LYS 115 0.377 41.980 12.463 1.00 0.00 -ATOM 1822 HZ3 LYS 115 1.090 41.250 11.167 1.00 0.00 -ATOM 1823 C LYS 115 6.138 36.813 13.358 1.00 0.00 -ATOM 1824 O LYS 115 6.454 36.322 12.275 1.00 0.00 -ATOM 1825 N MET 116 6.941 36.760 14.435 1.00 0.00 -ATOM 1826 H MET 116 6.611 37.203 15.281 1.00 0.00 -ATOM 1827 CA MET 116 8.233 36.073 14.470 1.00 0.00 -ATOM 1828 HA MET 116 8.708 36.102 13.489 1.00 0.00 -ATOM 1829 CB MET 116 9.153 36.783 15.484 1.00 0.00 -ATOM 1830 HB2 MET 116 8.579 36.932 16.398 1.00 0.00 -ATOM 1831 HB3 MET 116 9.992 36.117 15.687 1.00 0.00 -ATOM 1832 CG MET 116 9.683 38.138 14.986 1.00 0.00 -ATOM 1833 HG2 MET 116 10.008 37.996 13.955 1.00 0.00 -ATOM 1834 HG3 MET 116 8.847 38.837 15.010 1.00 0.00 -ATOM 1835 SD MET 116 11.055 38.816 15.954 1.00 0.00 -ATOM 1836 CE MET 116 10.261 39.064 17.561 1.00 0.00 -ATOM 1837 HE1 MET 116 9.895 38.109 17.937 1.00 0.00 -ATOM 1838 HE2 MET 116 10.984 39.478 18.264 1.00 0.00 -ATOM 1839 HE3 MET 116 9.425 39.755 17.451 1.00 0.00 -ATOM 1840 C MET 116 8.084 34.615 14.937 1.00 0.00 -ATOM 1841 O MET 116 8.808 33.748 14.448 1.00 0.00 -ATOM 1842 N LEU 117 7.148 34.346 15.866 1.00 0.00 -ATOM 1843 H LEU 117 6.607 35.133 16.195 1.00 0.00 -ATOM 1844 CA LEU 117 6.895 33.032 16.461 1.00 0.00 -ATOM 1845 HA LEU 117 7.746 32.371 16.295 1.00 0.00 -ATOM 1846 CB LEU 117 6.681 33.189 17.988 1.00 0.00 -ATOM 1847 HB2 LEU 117 5.861 33.903 18.064 1.00 0.00 -ATOM 1848 HB3 LEU 117 6.372 32.235 18.415 1.00 0.00 -ATOM 1849 CG LEU 117 7.907 33.727 18.762 1.00 0.00 -ATOM 1850 HG LEU 117 8.344 34.555 18.205 1.00 0.00 -ATOM 1851 CD1 LEU 117 7.487 34.214 20.156 1.00 0.00 -ATOM 1852 HD11 LEU 117 7.050 33.386 20.714 1.00 0.00 -ATOM 1853 HD12 LEU 117 8.361 34.590 20.689 1.00 0.00 -ATOM 1854 HD13 LEU 117 6.752 35.012 20.056 1.00 0.00 -ATOM 1855 CD2 LEU 117 9.027 32.675 18.867 1.00 0.00 -ATOM 1856 HD21 LEU 117 9.353 32.390 17.867 1.00 0.00 -ATOM 1857 HD22 LEU 117 9.869 33.094 19.418 1.00 0.00 -ATOM 1858 HD23 LEU 117 8.652 31.796 19.391 1.00 0.00 -ATOM 1859 C LEU 117 5.673 32.365 15.799 1.00 0.00 -ATOM 1860 O LEU 117 4.823 31.789 16.478 1.00 0.00 -ATOM 1861 N VAL 118 5.607 32.404 14.458 1.00 0.00 -ATOM 1862 H VAL 118 6.251 33.022 13.984 1.00 0.00 -ATOM 1863 CA VAL 118 4.695 31.595 13.645 1.00 0.00 -ATOM 1864 HA VAL 118 3.730 31.442 14.129 1.00 0.00 -ATOM 1865 CB VAL 118 4.458 32.280 12.269 1.00 0.00 -ATOM 1866 HB VAL 118 5.416 32.346 11.753 1.00 0.00 -ATOM 1867 CG1 VAL 118 3.458 31.498 11.397 1.00 0.00 -ATOM 1868 HG11 VAL 118 2.500 31.432 11.912 1.00 0.00 -ATOM 1869 HG12 VAL 118 3.324 32.014 10.446 1.00 0.00 -ATOM 1870 HG13 VAL 118 3.842 30.494 11.214 1.00 0.00 -ATOM 1871 CG2 VAL 118 3.965 33.728 12.415 1.00 0.00 -ATOM 1872 HG21 VAL 118 4.707 34.312 12.959 1.00 0.00 -ATOM 1873 HG22 VAL 118 3.814 34.162 11.427 1.00 0.00 -ATOM 1874 HG23 VAL 118 3.023 33.738 12.963 1.00 0.00 -ATOM 1875 C VAL 118 5.395 30.243 13.433 1.00 0.00 -ATOM 1876 O VAL 118 6.579 30.208 13.092 1.00 0.00 -ATOM 1877 N LEU 119 4.676 29.132 13.660 1.00 0.00 -ATOM 1878 H LEU 119 3.709 29.257 13.923 1.00 0.00 -ATOM 1879 CA LEU 119 5.210 27.769 13.604 1.00 0.00 -ATOM 1880 HA LEU 119 6.106 27.683 14.218 1.00 0.00 -ATOM 1881 CB LEU 119 4.146 26.791 14.145 1.00 0.00 -ATOM 1882 HB2 LEU 119 3.836 27.250 15.084 1.00 0.00 -ATOM 1883 HB3 LEU 119 3.302 26.769 13.455 1.00 0.00 -ATOM 1884 CG LEU 119 4.629 25.348 14.413 1.00 0.00 -ATOM 1885 HG LEU 119 5.067 24.967 13.490 1.00 0.00 -ATOM 1886 CD1 LEU 119 5.665 25.266 15.542 1.00 0.00 -ATOM 1887 HD11 LEU 119 5.228 25.647 16.465 1.00 0.00 -ATOM 1888 HD12 LEU 119 5.967 24.228 15.684 1.00 0.00 -ATOM 1889 HD13 LEU 119 6.537 25.865 15.280 1.00 0.00 -ATOM 1890 CD2 LEU 119 3.432 24.443 14.724 1.00 0.00 -ATOM 1891 HD21 LEU 119 2.748 24.440 13.875 1.00 0.00 -ATOM 1892 HD22 LEU 119 3.782 23.428 14.912 1.00 0.00 -ATOM 1893 HD23 LEU 119 2.913 24.817 15.607 1.00 0.00 -ATOM 1894 C LEU 119 5.629 27.376 12.179 1.00 0.00 -ATOM 1895 O LEU 119 6.688 26.773 12.017 1.00 0.00 -ATOM 1896 N ASP 120 4.848 27.771 11.157 1.00 0.00 -ATOM 1897 H ASP 120 3.945 28.159 11.388 1.00 0.00 -ATOM 1898 CA ASP 120 5.205 27.639 9.746 1.00 0.00 -ATOM 1899 HA ASP 120 5.622 26.651 9.550 1.00 0.00 -ATOM 1900 CB ASP 120 3.932 27.821 8.877 1.00 0.00 -ATOM 1901 HB2 ASP 120 3.196 27.139 9.303 1.00 0.00 -ATOM 1902 HB3 ASP 120 3.596 28.849 9.015 1.00 0.00 -ATOM 1903 CG ASP 120 4.091 27.531 7.376 1.00 0.00 -ATOM 1904 OD1 ASP 120 3.036 27.394 6.720 1.00 0.00 -ATOM 1905 OD2 ASP 120 5.238 27.423 6.888 1.00 0.00 -ATOM 1906 C ASP 120 6.271 28.695 9.426 1.00 0.00 -ATOM 1907 O ASP 120 6.010 29.898 9.490 1.00 0.00 -ATOM 1908 N SER 121 7.481 28.212 9.108 1.00 0.00 -ATOM 1909 H SER 121 7.568 27.206 9.146 1.00 0.00 -ATOM 1910 CA SER 121 8.678 28.999 8.842 1.00 0.00 -ATOM 1911 HA SER 121 8.865 29.713 9.644 1.00 0.00 -ATOM 1912 CB SER 121 9.874 28.027 8.758 1.00 0.00 -ATOM 1913 HB2 SER 121 10.781 28.624 8.854 1.00 0.00 -ATOM 1914 HB3 SER 121 9.796 27.346 9.606 1.00 0.00 -ATOM 1915 OG SER 121 9.926 27.280 7.556 1.00 0.00 -ATOM 1916 HG SER 121 10.691 26.700 7.573 1.00 0.00 -ATOM 1917 C SER 121 8.557 29.914 7.607 1.00 0.00 -ATOM 1918 O SER 121 9.148 30.993 7.600 1.00 0.00 -ATOM 1919 N ASP 122 7.738 29.528 6.612 1.00 0.00 -ATOM 1920 H ASP 122 7.278 28.637 6.732 1.00 0.00 -ATOM 1921 CA ASP 122 7.456 30.300 5.393 1.00 0.00 -ATOM 1922 HA ASP 122 8.387 30.679 4.970 1.00 0.00 -ATOM 1923 CB ASP 122 6.761 29.403 4.337 1.00 0.00 -ATOM 1924 HB2 ASP 122 5.779 29.147 4.734 1.00 0.00 -ATOM 1925 HB3 ASP 122 6.644 30.042 3.462 1.00 0.00 -ATOM 1926 CG ASP 122 7.500 28.122 3.938 1.00 0.00 -ATOM 1927 OD1 ASP 122 6.818 27.260 3.342 1.00 0.00 -ATOM 1928 OD2 ASP 122 8.719 28.023 4.199 1.00 0.00 -ATOM 1929 C ASP 122 6.517 31.495 5.647 1.00 0.00 -ATOM 1930 O ASP 122 6.434 32.384 4.800 1.00 0.00 -ATOM 1931 N LYS 123 5.821 31.519 6.796 1.00 0.00 -ATOM 1932 H LYS 123 5.956 30.730 7.412 1.00 0.00 -ATOM 1933 CA LYS 123 4.859 32.548 7.188 1.00 0.00 -ATOM 1934 HA LYS 123 4.638 33.210 6.350 1.00 0.00 -ATOM 1935 CB LYS 123 3.554 31.857 7.627 1.00 0.00 -ATOM 1936 HB2 LYS 123 3.810 31.108 8.376 1.00 0.00 -ATOM 1937 HB3 LYS 123 2.911 32.614 8.075 1.00 0.00 -ATOM 1938 CG LYS 123 2.815 31.183 6.461 1.00 0.00 -ATOM 1939 HG2 LYS 123 2.685 31.922 5.671 1.00 0.00 -ATOM 1940 HG3 LYS 123 3.436 30.366 6.094 1.00 0.00 -ATOM 1941 CD LYS 123 1.446 30.636 6.879 1.00 0.00 -ATOM 1942 HD2 LYS 123 1.601 29.908 7.676 1.00 0.00 -ATOM 1943 HD3 LYS 123 0.851 31.467 7.257 1.00 0.00 -ATOM 1944 CE LYS 123 0.708 29.968 5.714 1.00 0.00 -ATOM 1945 HE2 LYS 123 0.575 30.700 4.917 1.00 0.00 -ATOM 1946 HE3 LYS 123 1.311 29.138 5.347 1.00 0.00 -ATOM 1947 NZ LYS 123 -0.606 29.467 6.143 1.00 0.00 -ATOM 1948 HZ1 LYS 123 -1.165 30.236 6.483 1.00 0.00 -ATOM 1949 HZ2 LYS 123 -1.072 29.032 5.360 1.00 0.00 -ATOM 1950 HZ3 LYS 123 -0.483 28.788 6.881 1.00 0.00 -ATOM 1951 C LYS 123 5.391 33.464 8.306 1.00 0.00 -ATOM 1952 O LYS 123 4.666 34.360 8.736 1.00 0.00 -ATOM 1953 N ARG 124 6.655 33.296 8.739 1.00 0.00 -ATOM 1954 H ARG 124 7.152 32.482 8.406 1.00 0.00 -ATOM 1955 CA ARG 124 7.354 34.216 9.641 1.00 0.00 -ATOM 1956 HA ARG 124 6.709 34.484 10.477 1.00 0.00 -ATOM 1957 CB ARG 124 8.627 33.538 10.197 1.00 0.00 -ATOM 1958 HB2 ARG 124 9.202 33.174 9.346 1.00 0.00 -ATOM 1959 HB3 ARG 124 9.201 34.301 10.723 1.00 0.00 -ATOM 1960 CG ARG 124 8.331 32.371 11.152 1.00 0.00 -ATOM 1961 HG2 ARG 124 7.736 32.763 11.977 1.00 0.00 -ATOM 1962 HG3 ARG 124 7.746 31.634 10.601 1.00 0.00 -ATOM 1963 CD ARG 124 9.600 31.706 11.707 1.00 0.00 -ATOM 1964 HD2 ARG 124 10.328 31.573 10.907 1.00 0.00 -ATOM 1965 HD3 ARG 124 10.032 32.329 12.491 1.00 0.00 -ATOM 1966 NE ARG 124 9.279 30.390 12.275 1.00 0.00 -ATOM 1967 HE ARG 124 8.370 30.337 12.713 1.00 0.00 -ATOM 1968 CZ ARG 124 10.046 29.287 12.254 1.00 0.00 -ATOM 1969 NH1 ARG 124 9.550 28.138 12.725 1.00 0.00 -ATOM 1970 HH11 ARG 124 8.609 28.110 13.090 1.00 0.00 -ATOM 1971 HH12 ARG 124 10.119 27.304 12.713 1.00 0.00 -ATOM 1972 NH2 ARG 124 11.289 29.302 11.759 1.00 0.00 -ATOM 1973 HH21 ARG 124 11.671 30.160 11.388 1.00 0.00 -ATOM 1974 HH22 ARG 124 11.839 28.455 11.758 1.00 0.00 -ATOM 1975 C ARG 124 7.776 35.489 8.884 1.00 0.00 -ATOM 1976 O ARG 124 7.995 35.461 7.672 1.00 0.00 -ATOM 1977 N ILE 125 7.901 36.606 9.614 1.00 0.00 -ATOM 1978 H ILE 125 7.617 36.542 10.581 1.00 0.00 -ATOM 1979 CA ILE 125 8.361 37.902 9.110 1.00 0.00 -ATOM 1980 HA ILE 125 7.997 38.213 8.131 1.00 0.00 -ATOM 1981 CB ILE 125 7.983 38.979 10.170 1.00 0.00 -ATOM 1982 HB ILE 125 6.909 38.896 10.337 1.00 0.00 -ATOM 1983 CG2 ILE 125 8.726 38.842 11.519 1.00 0.00 -ATOM 1984 HG21 ILE 125 9.800 38.925 11.353 1.00 0.00 -ATOM 1985 HG22 ILE 125 8.401 39.633 12.195 1.00 0.00 -ATOM 1986 HG23 ILE 125 8.502 37.871 11.961 1.00 0.00 -ATOM 1987 CG1 ILE 125 8.094 40.412 9.613 1.00 0.00 -ATOM 1988 HG12 ILE 125 9.155 40.648 9.537 1.00 0.00 -ATOM 1989 HG13 ILE 125 7.651 40.407 8.617 1.00 0.00 -ATOM 1990 CD1 ILE 125 7.395 41.471 10.478 1.00 0.00 -ATOM 1991 HD11 ILE 125 7.837 41.477 11.474 1.00 0.00 -ATOM 1992 HD12 ILE 125 7.517 42.453 10.021 1.00 0.00 -ATOM 1993 HD13 ILE 125 6.333 41.236 10.554 1.00 0.00 -ATOM 1994 C ILE 125 9.880 37.847 8.844 1.00 0.00 -ATOM 1995 O ILE 125 10.627 37.311 9.659 1.00 0.00 -ATOM 1996 N THR 126 10.351 38.393 7.711 1.00 0.00 -ATOM 1997 H THR 126 9.689 38.735 7.029 1.00 0.00 -ATOM 1998 CA THR 126 11.786 38.470 7.390 1.00 0.00 -ATOM 1999 HA THR 126 12.367 37.594 7.678 1.00 0.00 -ATOM 2000 CB THR 126 11.986 38.721 5.871 1.00 0.00 -ATOM 2001 HB THR 126 13.058 38.686 5.677 1.00 0.00 -ATOM 2002 CG2 THR 126 11.269 37.704 4.969 1.00 0.00 -ATOM 2003 HG21 THR 126 10.197 37.739 5.162 1.00 0.00 -ATOM 2004 HG22 THR 126 11.458 37.948 3.924 1.00 0.00 -ATOM 2005 HG23 THR 126 11.643 36.702 5.181 1.00 0.00 -ATOM 2006 OG1 THR 126 11.639 40.034 5.480 1.00 0.00 -ATOM 2007 HG1 THR 126 11.781 40.135 4.536 1.00 0.00 -ATOM 2008 C THR 126 12.462 39.584 8.217 1.00 0.00 -ATOM 2009 O THR 126 11.783 40.419 8.816 1.00 0.00 -ATOM 2010 N ALA 127 13.805 39.607 8.236 1.00 0.00 -ATOM 2011 H ALA 127 14.287 38.859 7.759 1.00 0.00 -ATOM 2012 CA ALA 127 14.605 40.603 8.952 1.00 0.00 -ATOM 2013 HA ALA 127 14.290 40.607 9.996 1.00 0.00 -ATOM 2014 CB ALA 127 16.086 40.198 8.887 1.00 0.00 -ATOM 2015 HB1 ALA 127 16.418 40.199 7.849 1.00 0.00 -ATOM 2016 HB2 ALA 127 16.683 40.908 9.459 1.00 0.00 -ATOM 2017 HB3 ALA 127 16.209 39.200 9.307 1.00 0.00 -ATOM 2018 C ALA 127 14.418 42.033 8.407 1.00 0.00 -ATOM 2019 O ALA 127 14.411 42.979 9.191 1.00 0.00 -ATOM 2020 N ALA 128 14.200 42.181 7.087 1.00 0.00 -ATOM 2021 H ALA 128 14.227 41.333 6.539 1.00 0.00 -ATOM 2022 CA ALA 128 13.927 43.444 6.398 1.00 0.00 -ATOM 2023 HA ALA 128 14.642 44.208 6.702 1.00 0.00 -ATOM 2024 CB ALA 128 14.069 43.212 4.885 1.00 0.00 -ATOM 2025 HB1 ALA 128 13.353 42.456 4.564 1.00 0.00 -ATOM 2026 HB2 ALA 128 13.875 44.144 4.354 1.00 0.00 -ATOM 2027 HB3 ALA 128 15.080 42.872 4.662 1.00 0.00 -ATOM 2028 C ALA 128 12.507 43.970 6.676 1.00 0.00 -ATOM 2029 O ALA 128 12.328 45.178 6.827 1.00 0.00 -ATOM 2030 N GLN 129 11.511 43.071 6.772 1.00 0.00 -ATOM 2031 H GLN 129 11.763 42.101 6.644 1.00 0.00 -ATOM 2032 CA GLN 129 10.112 43.392 7.070 1.00 0.00 -ATOM 2033 HA GLN 129 9.770 44.228 6.459 1.00 0.00 -ATOM 2034 CB GLN 129 9.242 42.159 6.749 1.00 0.00 -ATOM 2035 HB2 GLN 129 9.741 41.292 7.182 1.00 0.00 -ATOM 2036 HB3 GLN 129 8.281 42.308 7.241 1.00 0.00 -ATOM 2037 CG GLN 129 9.017 41.922 5.243 1.00 0.00 -ATOM 2038 HG2 GLN 129 8.292 42.665 4.911 1.00 0.00 -ATOM 2039 HG3 GLN 129 9.953 42.061 4.701 1.00 0.00 -ATOM 2040 CD GLN 129 8.468 40.525 4.924 1.00 0.00 -ATOM 2041 OE1 GLN 129 8.215 39.715 5.814 1.00 0.00 -ATOM 2042 NE2 GLN 129 8.318 40.221 3.634 1.00 0.00 -ATOM 2043 HE21 GLN 129 7.960 39.314 3.370 1.00 0.00 -ATOM 2044 HE22 GLN 129 8.563 40.899 2.927 1.00 0.00 -ATOM 2045 C GLN 129 9.913 43.733 8.556 1.00 0.00 -ATOM 2046 O GLN 129 9.070 44.568 8.880 1.00 0.00 -ATOM 2047 N ALA 130 10.699 43.107 9.449 1.00 0.00 -ATOM 2048 H ALA 130 11.367 42.446 9.078 1.00 0.00 -ATOM 2049 CA ALA 130 10.649 43.302 10.894 1.00 0.00 -ATOM 2050 HA ALA 130 9.617 43.272 11.244 1.00 0.00 -ATOM 2051 CB ALA 130 11.428 42.164 11.566 1.00 0.00 -ATOM 2052 HB1 ALA 130 12.466 42.187 11.233 1.00 0.00 -ATOM 2053 HB2 ALA 130 11.392 42.288 12.648 1.00 0.00 -ATOM 2054 HB3 ALA 130 10.981 41.208 11.295 1.00 0.00 -ATOM 2055 C ALA 130 11.257 44.646 11.321 1.00 0.00 -ATOM 2056 O ALA 130 10.792 45.207 12.308 1.00 0.00 -ATOM 2057 N LEU 131 12.226 45.196 10.564 1.00 0.00 -ATOM 2058 H LEU 131 12.575 44.643 9.795 1.00 0.00 -ATOM 2059 CA LEU 131 12.793 46.536 10.772 1.00 0.00 -ATOM 2060 HA LEU 131 13.087 46.666 11.814 1.00 0.00 -ATOM 2061 CB LEU 131 14.043 46.708 9.882 1.00 0.00 -ATOM 2062 HB2 LEU 131 13.726 46.338 8.907 1.00 0.00 -ATOM 2063 HB3 LEU 131 14.299 47.765 9.803 1.00 0.00 -ATOM 2064 CG LEU 131 15.275 45.916 10.356 1.00 0.00 -ATOM 2065 HG LEU 131 14.946 44.947 10.733 1.00 0.00 -ATOM 2066 CD1 LEU 131 16.266 45.707 9.204 1.00 0.00 -ATOM 2067 HD11 LEU 131 16.595 46.675 8.827 1.00 0.00 -ATOM 2068 HD12 LEU 131 17.128 45.145 9.563 1.00 0.00 -ATOM 2069 HD13 LEU 131 15.780 45.152 8.402 1.00 0.00 -ATOM 2070 CD2 LEU 131 15.968 46.596 11.542 1.00 0.00 -ATOM 2071 HD21 LEU 131 15.270 46.673 12.376 1.00 0.00 -ATOM 2072 HD22 LEU 131 16.832 46.005 11.846 1.00 0.00 -ATOM 2073 HD23 LEU 131 16.295 47.594 11.249 1.00 0.00 -ATOM 2074 C LEU 131 11.798 47.648 10.400 1.00 0.00 -ATOM 2075 O LEU 131 11.820 48.713 11.016 1.00 0.00 -ATOM 2076 N ALA 132 10.917 47.386 9.419 1.00 0.00 -ATOM 2077 H ALA 132 11.003 46.481 8.980 1.00 0.00 -ATOM 2078 CA ALA 132 9.865 48.286 8.952 1.00 0.00 -ATOM 2079 HA ALA 132 10.214 49.319 8.951 1.00 0.00 -ATOM 2080 CB ALA 132 9.516 47.883 7.509 1.00 0.00 -ATOM 2081 HB1 ALA 132 9.156 46.854 7.495 1.00 0.00 -ATOM 2082 HB2 ALA 132 8.739 48.544 7.124 1.00 0.00 -ATOM 2083 HB3 ALA 132 10.405 47.965 6.883 1.00 0.00 -ATOM 2084 C ALA 132 8.582 48.209 9.806 1.00 0.00 -ATOM 2085 O ALA 132 7.636 48.946 9.527 1.00 0.00 -ATOM 2086 N HIE 133 8.546 47.361 10.853 1.00 0.00 -ATOM 2087 H HIE 133 9.344 46.754 10.978 1.00 0.00 -ATOM 2088 CA HIE 133 7.443 47.262 11.810 1.00 0.00 -ATOM 2089 HA HIE 133 6.486 47.256 11.288 1.00 0.00 -ATOM 2090 CB HIE 133 7.578 45.947 12.607 1.00 0.00 -ATOM 2091 HB2 HIE 133 7.697 45.127 11.898 1.00 0.00 -ATOM 2092 HB3 HIE 133 8.437 45.974 13.278 1.00 0.00 -ATOM 2093 CG HIE 133 6.375 45.612 13.458 1.00 0.00 -ATOM 2094 ND1 HIE 133 6.169 46.169 14.726 1.00 0.00 -ATOM 2095 CE1 HIE 133 4.995 45.696 15.118 1.00 0.00 -ATOM 2096 HE1 HIE 133 4.641 46.045 16.088 1.00 0.00 -ATOM 2097 NE2 HIE 133 4.448 44.861 14.237 1.00 0.00 -ATOM 2098 HE2 HIE 133 3.573 44.363 14.315 1.00 0.00 -ATOM 2099 CD2 HIE 133 5.310 44.787 13.157 1.00 0.00 -ATOM 2100 HD2 HIE 133 5.062 44.156 12.304 1.00 0.00 -ATOM 2101 C HIE 133 7.490 48.457 12.780 1.00 0.00 -ATOM 2102 O HIE 133 8.564 48.848 13.241 1.00 0.00 -ATOM 2103 N ALA 134 6.307 49.017 13.087 1.00 0.00 -ATOM 2104 H ALA 134 5.517 48.566 12.649 1.00 0.00 -ATOM 2105 CA ALA 134 6.065 50.224 13.885 1.00 0.00 -ATOM 2106 HA ALA 134 6.557 51.032 13.343 1.00 0.00 -ATOM 2107 CB ALA 134 4.553 50.492 13.900 1.00 0.00 -ATOM 2108 HB1 ALA 134 4.048 49.696 14.447 1.00 0.00 -ATOM 2109 HB2 ALA 134 4.358 51.448 14.387 1.00 0.00 -ATOM 2110 HB3 ALA 134 4.179 50.523 12.877 1.00 0.00 -ATOM 2111 C ALA 134 6.617 50.226 15.324 1.00 0.00 -ATOM 2112 O ALA 134 6.693 51.295 15.930 1.00 0.00 -ATOM 2113 N TYR 135 7.040 49.067 15.861 1.00 0.00 -ATOM 2114 H TYR 135 6.844 48.227 15.335 1.00 0.00 -ATOM 2115 CA TYR 135 7.713 48.935 17.156 1.00 0.00 -ATOM 2116 HA TYR 135 7.128 49.408 17.945 1.00 0.00 -ATOM 2117 CB TYR 135 7.862 47.431 17.485 1.00 0.00 -ATOM 2118 HB2 TYR 135 6.858 47.012 17.412 1.00 0.00 -ATOM 2119 HB3 TYR 135 8.495 46.994 16.712 1.00 0.00 -ATOM 2120 CG TYR 135 8.444 47.116 18.855 1.00 0.00 -ATOM 2121 CD1 TYR 135 7.869 47.669 20.019 1.00 0.00 -ATOM 2122 HD1 TYR 135 6.991 48.309 19.936 1.00 0.00 -ATOM 2123 CE1 TYR 135 8.424 47.397 21.282 1.00 0.00 -ATOM 2124 HE1 TYR 135 7.976 47.828 22.177 1.00 0.00 -ATOM 2125 CZ TYR 135 9.554 46.563 21.392 1.00 0.00 -ATOM 2126 OH TYR 135 10.085 46.292 22.619 1.00 0.00 -ATOM 2127 HH TYR 135 9.611 46.720 23.336 1.00 0.00 -ATOM 2128 CE2 TYR 135 10.137 46.016 20.234 1.00 0.00 -ATOM 2129 HE2 TYR 135 11.022 45.385 20.314 1.00 0.00 -ATOM 2130 CD2 TYR 135 9.576 46.284 18.971 1.00 0.00 -ATOM 2131 HD2 TYR 135 10.017 45.847 18.075 1.00 0.00 -ATOM 2132 C TYR 135 9.095 49.622 17.182 1.00 0.00 -ATOM 2133 O TYR 135 9.504 50.102 18.236 1.00 0.00 -ATOM 2134 N PHE 136 9.790 49.700 16.034 1.00 0.00 -ATOM 2135 H PHE 136 9.346 49.310 15.215 1.00 0.00 -ATOM 2136 CA PHE 136 11.118 50.301 15.884 1.00 0.00 -ATOM 2137 HA PHE 136 11.583 50.454 16.858 1.00 0.00 -ATOM 2138 CB PHE 136 12.005 49.346 15.059 1.00 0.00 -ATOM 2139 HB2 PHE 136 11.584 49.246 14.059 1.00 0.00 -ATOM 2140 HB3 PHE 136 13.021 49.734 14.988 1.00 0.00 -ATOM 2141 CG PHE 136 12.115 47.948 15.624 1.00 0.00 -ATOM 2142 CD1 PHE 136 11.656 46.859 14.863 1.00 0.00 -ATOM 2143 HD1 PHE 136 11.237 47.027 13.871 1.00 0.00 -ATOM 2144 CE1 PHE 136 11.737 45.555 15.380 1.00 0.00 -ATOM 2145 HE1 PHE 136 11.383 44.711 14.788 1.00 0.00 -ATOM 2146 CZ PHE 136 12.275 45.338 16.661 1.00 0.00 -ATOM 2147 HZ PHE 136 12.331 44.326 17.062 1.00 0.00 -ATOM 2148 CE2 PHE 136 12.740 46.424 17.425 1.00 0.00 -ATOM 2149 HE2 PHE 136 13.167 46.256 18.414 1.00 0.00 -ATOM 2150 CD2 PHE 136 12.653 47.731 16.909 1.00 0.00 -ATOM 2151 HD2 PHE 136 13.002 48.576 17.503 1.00 0.00 -ATOM 2152 C PHE 136 11.059 51.657 15.160 1.00 0.00 -ATOM 2153 O PHE 136 12.069 52.075 14.597 1.00 0.00 -ATOM 2154 N ALA 137 9.903 52.343 15.155 1.00 0.00 -ATOM 2155 H ALA 137 9.127 51.889 15.616 1.00 0.00 -ATOM 2156 CA ALA 137 9.652 53.606 14.451 1.00 0.00 -ATOM 2157 HA ALA 137 9.742 53.356 13.394 1.00 0.00 -ATOM 2158 CB ALA 137 8.212 54.062 14.726 1.00 0.00 -ATOM 2159 HB1 ALA 137 8.108 54.324 15.779 1.00 0.00 -ATOM 2160 HB2 ALA 137 7.982 54.932 14.111 1.00 0.00 -ATOM 2161 HB3 ALA 137 7.522 53.254 14.484 1.00 0.00 -ATOM 2162 C ALA 137 10.650 54.746 14.739 1.00 0.00 -ATOM 2163 O ALA 137 10.936 55.526 13.831 1.00 0.00 -ATOM 2164 N GLN 138 11.199 54.828 15.966 1.00 0.00 -ATOM 2165 H GLN 138 10.873 54.180 16.669 1.00 0.00 -ATOM 2166 CA GLN 138 12.183 55.842 16.358 1.00 0.00 -ATOM 2167 HA GLN 138 11.959 56.794 15.877 1.00 0.00 -ATOM 2168 CB GLN 138 12.133 56.040 17.897 1.00 0.00 -ATOM 2169 HB2 GLN 138 12.686 56.960 18.087 1.00 0.00 -ATOM 2170 HB3 GLN 138 11.080 56.194 18.133 1.00 0.00 -ATOM 2171 CG GLN 138 12.700 54.905 18.784 1.00 0.00 -ATOM 2172 HG2 GLN 138 12.089 54.014 18.638 1.00 0.00 -ATOM 2173 HG3 GLN 138 13.726 54.695 18.481 1.00 0.00 -ATOM 2174 CD GLN 138 12.693 55.265 20.276 1.00 0.00 -ATOM 2175 OE1 GLN 138 13.049 56.379 20.653 1.00 0.00 -ATOM 2176 NE2 GLN 138 12.296 54.327 21.139 1.00 0.00 -ATOM 2177 HE21 GLN 138 12.279 54.530 22.128 1.00 0.00 -ATOM 2178 HE22 GLN 138 12.014 53.419 20.799 1.00 0.00 -ATOM 2179 C GLN 138 13.622 55.504 15.909 1.00 0.00 -ATOM 2180 O GLN 138 14.435 56.421 15.800 1.00 0.00 -ATOM 2181 N TYR 139 13.940 54.223 15.645 1.00 0.00 -ATOM 2182 H TYR 139 13.194 53.546 15.713 1.00 0.00 -ATOM 2183 CA TYR 139 15.278 53.749 15.272 1.00 0.00 -ATOM 2184 HA TYR 139 16.031 54.503 15.503 1.00 0.00 -ATOM 2185 CB TYR 139 15.597 52.469 16.078 1.00 0.00 -ATOM 2186 HB2 TYR 139 14.766 51.784 15.910 1.00 0.00 -ATOM 2187 HB3 TYR 139 16.510 52.039 15.666 1.00 0.00 -ATOM 2188 CG TYR 139 15.773 52.695 17.571 1.00 0.00 -ATOM 2189 CD1 TYR 139 14.900 52.085 18.497 1.00 0.00 -ATOM 2190 HD1 TYR 139 14.113 51.418 18.146 1.00 0.00 -ATOM 2191 CE1 TYR 139 15.046 52.338 19.875 1.00 0.00 -ATOM 2192 HE1 TYR 139 14.365 51.869 20.585 1.00 0.00 -ATOM 2193 CZ TYR 139 16.063 53.194 20.336 1.00 0.00 -ATOM 2194 OH TYR 139 16.190 53.444 21.673 1.00 0.00 -ATOM 2195 HH TYR 139 15.535 52.985 22.204 1.00 0.00 -ATOM 2196 CE2 TYR 139 16.949 53.787 19.417 1.00 0.00 -ATOM 2197 HE2 TYR 139 17.745 54.442 19.772 1.00 0.00 -ATOM 2198 CD2 TYR 139 16.807 53.534 18.039 1.00 0.00 -ATOM 2199 HD2 TYR 139 17.498 53.987 17.328 1.00 0.00 -ATOM 2200 C TYR 139 15.398 53.416 13.776 1.00 0.00 -ATOM 2201 O TYR 139 16.511 53.444 13.251 1.00 0.00 -ATOM 2202 N HIP 140 14.284 53.103 13.091 1.00 0.00 -ATOM 2203 H HIP 140 13.417 53.141 13.608 1.00 0.00 -ATOM 2204 CA HIP 140 14.239 52.672 11.694 1.00 0.00 -ATOM 2205 HA HIP 140 14.954 51.867 11.521 1.00 0.00 -ATOM 2206 CB HIP 140 12.823 52.153 11.366 1.00 0.00 -ATOM 2207 HB2 HIP 140 12.638 51.263 11.967 1.00 0.00 -ATOM 2208 HB3 HIP 140 12.091 52.920 11.619 1.00 0.00 -ATOM 2209 CG HIP 140 12.563 51.764 9.922 1.00 0.00 -ATOM 2210 ND1 HIP 140 13.362 50.863 9.236 1.00 0.00 -ATOM 2211 HD1 HIP 140 14.171 50.379 9.598 1.00 0.00 -ATOM 2212 CE1 HIP 140 12.869 50.749 8.008 1.00 0.00 -ATOM 2213 HE1 HIP 140 13.389 50.084 7.319 1.00 0.00 -ATOM 2214 NE2 HIP 140 11.785 51.502 7.843 1.00 0.00 -ATOM 2215 HE2 HIP 140 11.210 51.598 7.018 1.00 0.00 -ATOM 2216 CD2 HIP 140 11.569 52.160 9.044 1.00 0.00 -ATOM 2217 HD2 HIP 140 10.726 52.844 9.147 1.00 0.00 -ATOM 2218 C HIP 140 14.625 53.802 10.734 1.00 0.00 -ATOM 2219 O HIP 140 14.074 54.901 10.792 1.00 0.00 -ATOM 2220 N ASP 141 15.549 53.471 9.825 1.00 0.00 -ATOM 2221 H ASP 141 16.031 52.603 10.008 1.00 0.00 -ATOM 2222 CA ASP 141 16.000 54.287 8.711 1.00 0.00 -ATOM 2223 HA ASP 141 15.172 54.879 8.322 1.00 0.00 -ATOM 2224 CB ASP 141 17.120 55.251 9.180 1.00 0.00 -ATOM 2225 HB2 ASP 141 16.643 55.905 9.910 1.00 0.00 -ATOM 2226 HB3 ASP 141 17.875 54.643 9.677 1.00 0.00 -ATOM 2227 CG ASP 141 17.785 56.101 8.089 1.00 0.00 -ATOM 2228 OD1 ASP 141 18.804 56.740 8.425 1.00 0.00 -ATOM 2229 OD2 ASP 141 17.270 56.129 6.950 1.00 0.00 -ATOM 2230 C ASP 141 16.371 53.315 7.576 1.00 0.00 -ATOM 2231 O ASP 141 17.367 52.609 7.725 1.00 0.00 -ATOM 2232 N PRO 142 15.619 53.251 6.453 1.00 0.00 -ATOM 2233 CD PRO 142 14.424 54.048 6.166 1.00 0.00 -ATOM 2234 HD2 PRO 142 14.692 55.101 6.249 1.00 0.00 -ATOM 2235 HD3 PRO 142 13.668 53.806 6.913 1.00 0.00 -ATOM 2236 CG PRO 142 13.990 53.662 4.752 1.00 0.00 -ATOM 2237 HG2 PRO 142 14.366 54.386 4.029 1.00 0.00 -ATOM 2238 HG3 PRO 142 12.903 53.617 4.688 1.00 0.00 -ATOM 2239 CB PRO 142 14.604 52.289 4.533 1.00 0.00 -ATOM 2240 HB2 PRO 142 14.835 52.114 3.482 1.00 0.00 -ATOM 2241 HB3 PRO 142 13.948 51.499 4.897 1.00 0.00 -ATOM 2242 CA PRO 142 15.899 52.313 5.354 1.00 0.00 -ATOM 2243 HA PRO 142 16.074 51.334 5.800 1.00 0.00 -ATOM 2244 C PRO 142 17.116 52.710 4.491 1.00 0.00 -ATOM 2245 O PRO 142 17.627 51.865 3.756 1.00 0.00 -ATOM 2246 N ASP 143 17.608 53.956 4.618 1.00 0.00 -ATOM 2247 H ASP 143 17.051 54.598 5.163 1.00 0.00 -ATOM 2248 CA ASP 143 18.857 54.448 4.026 1.00 0.00 -ATOM 2249 HA ASP 143 19.064 53.922 3.094 1.00 0.00 -ATOM 2250 CB ASP 143 18.730 55.961 3.723 1.00 0.00 -ATOM 2251 HB2 ASP 143 18.588 56.478 4.672 1.00 0.00 -ATOM 2252 HB3 ASP 143 19.676 56.270 3.280 1.00 0.00 -ATOM 2253 CG ASP 143 17.581 56.314 2.772 1.00 0.00 -ATOM 2254 OD1 ASP 143 16.939 57.359 3.019 1.00 0.00 -ATOM 2255 OD2 ASP 143 17.368 55.546 1.807 1.00 0.00 -ATOM 2256 C ASP 143 20.064 54.229 4.965 1.00 0.00 -ATOM 2257 O ASP 143 21.191 54.537 4.578 1.00 0.00 -ATOM 2258 N ASP 144 19.845 53.640 6.155 1.00 0.00 -ATOM 2259 H ASP 144 18.889 53.712 6.471 1.00 0.00 -ATOM 2260 CA ASP 144 20.863 53.213 7.115 1.00 0.00 -ATOM 2261 HA ASP 144 21.764 52.923 6.574 1.00 0.00 -ATOM 2262 CB ASP 144 21.226 54.340 8.113 1.00 0.00 -ATOM 2263 HB2 ASP 144 21.432 55.216 7.498 1.00 0.00 -ATOM 2264 HB3 ASP 144 20.364 54.538 8.751 1.00 0.00 -ATOM 2265 CG ASP 144 22.447 54.031 8.986 1.00 0.00 -ATOM 2266 OD1 ASP 144 23.472 53.603 8.409 1.00 0.00 -ATOM 2267 OD2 ASP 144 22.328 54.185 10.221 1.00 0.00 -ATOM 2268 C ASP 144 20.575 51.808 7.676 1.00 0.00 -ATOM 2269 O ASP 144 20.770 51.533 8.859 1.00 0.00 -ATOM 2270 N GLU 145 20.131 50.908 6.788 1.00 0.00 -ATOM 2271 H GLU 145 19.831 51.295 5.905 1.00 0.00 -ATOM 2272 CA GLU 145 19.966 49.474 7.008 1.00 0.00 -ATOM 2273 HA GLU 145 20.529 49.163 7.888 1.00 0.00 -ATOM 2274 CB GLU 145 18.472 49.146 7.235 1.00 0.00 -ATOM 2275 HB2 GLU 145 17.895 49.734 6.522 1.00 0.00 -ATOM 2276 HB3 GLU 145 18.334 48.085 7.027 1.00 0.00 -ATOM 2277 CG GLU 145 17.988 49.456 8.668 1.00 0.00 -ATOM 2278 HG2 GLU 145 18.314 48.634 9.305 1.00 0.00 -ATOM 2279 HG3 GLU 145 18.482 50.376 8.981 1.00 0.00 -ATOM 2280 CD GLU 145 16.474 49.624 8.789 1.00 0.00 -ATOM 2281 OE1 GLU 145 15.739 49.072 7.943 1.00 0.00 -ATOM 2282 OE2 GLU 145 16.060 50.313 9.745 1.00 0.00 -ATOM 2283 C GLU 145 20.594 48.777 5.787 1.00 0.00 -ATOM 2284 O GLU 145 19.857 48.308 4.918 1.00 0.00 -ATOM 2285 N PRO 146 21.943 48.741 5.672 1.00 0.00 -ATOM 2286 CD PRO 146 22.907 49.237 6.662 1.00 0.00 -ATOM 2287 HD2 PRO 146 22.731 48.710 7.600 1.00 0.00 -ATOM 2288 HD3 PRO 146 22.727 50.302 6.805 1.00 0.00 -ATOM 2289 CG PRO 146 24.290 48.953 6.081 1.00 0.00 -ATOM 2290 HG2 PRO 146 24.690 48.024 6.487 1.00 0.00 -ATOM 2291 HG3 PRO 146 24.973 49.772 6.307 1.00 0.00 -ATOM 2292 CB PRO 146 24.048 48.846 4.587 1.00 0.00 -ATOM 2293 HB2 PRO 146 24.766 48.165 4.129 1.00 0.00 -ATOM 2294 HB3 PRO 146 24.099 49.815 4.090 1.00 0.00 -ATOM 2295 CA PRO 146 22.632 48.269 4.466 1.00 0.00 -ATOM 2296 HA PRO 146 22.112 48.686 3.604 1.00 0.00 -ATOM 2297 C PRO 146 22.667 46.735 4.350 1.00 0.00 -ATOM 2298 O PRO 146 22.716 46.019 5.352 1.00 0.00 -ATOM 2299 N VAL 147 22.659 46.258 3.098 1.00 0.00 -ATOM 2300 H VAL 147 22.514 46.947 2.374 1.00 0.00 -ATOM 2301 CA VAL 147 22.824 44.860 2.702 1.00 0.00 -ATOM 2302 HA VAL 147 22.616 44.127 3.481 1.00 0.00 -ATOM 2303 CB VAL 147 21.913 44.557 1.479 1.00 0.00 -ATOM 2304 HB VAL 147 22.185 43.584 1.071 1.00 0.00 -ATOM 2305 CG1 VAL 147 20.431 44.544 1.889 1.00 0.00 -ATOM 2306 HG11 VAL 147 20.158 45.517 2.297 1.00 0.00 -ATOM 2307 HG12 VAL 147 19.814 44.330 1.016 1.00 0.00 -ATOM 2308 HG13 VAL 147 20.269 43.776 2.645 1.00 0.00 -ATOM 2309 CG2 VAL 147 22.126 45.479 0.261 1.00 0.00 -ATOM 2310 HG21 VAL 147 23.155 45.389 -0.088 1.00 0.00 -ATOM 2311 HG22 VAL 147 21.445 45.188 -0.539 1.00 0.00 -ATOM 2312 HG23 VAL 147 21.929 46.512 0.548 1.00 0.00 -ATOM 2313 C VAL 147 24.297 44.595 2.339 1.00 0.00 -ATOM 2314 O VAL 147 25.061 45.520 2.053 1.00 0.00 -ATOM 2315 N ALA 148 24.682 43.313 2.359 1.00 0.00 -ATOM 2316 H ALA 148 23.961 42.639 2.574 1.00 0.00 -ATOM 2317 CA ALA 148 26.020 42.820 2.050 1.00 0.00 -ATOM 2318 HA ALA 148 26.808 43.482 2.409 1.00 0.00 -ATOM 2319 CB ALA 148 26.175 41.453 2.739 1.00 0.00 -ATOM 2320 HB1 ALA 148 25.399 40.776 2.383 1.00 0.00 -ATOM 2321 HB2 ALA 148 27.155 41.037 2.505 1.00 0.00 -ATOM 2322 HB3 ALA 148 26.082 41.577 3.818 1.00 0.00 -ATOM 2323 C ALA 148 26.208 42.599 0.544 1.00 0.00 -ATOM 2324 O ALA 148 25.242 42.474 -0.211 1.00 0.00 -ATOM 2325 N ASP 149 27.483 42.485 0.137 1.00 0.00 -ATOM 2326 H ASP 149 28.187 42.715 0.823 1.00 0.00 -ATOM 2327 CA ASP 149 27.924 42.035 -1.188 1.00 0.00 -ATOM 2328 HA ASP 149 27.431 42.616 -1.967 1.00 0.00 -ATOM 2329 CB ASP 149 29.459 42.230 -1.320 1.00 0.00 -ATOM 2330 HB2 ASP 149 29.915 41.541 -0.609 1.00 0.00 -ATOM 2331 HB3 ASP 149 29.729 41.936 -2.334 1.00 0.00 -ATOM 2332 CG ASP 149 29.963 43.650 -1.049 1.00 0.00 -ATOM 2333 OD1 ASP 149 30.983 43.755 -0.331 1.00 0.00 -ATOM 2334 OD2 ASP 149 29.323 44.599 -1.551 1.00 0.00 -ATOM 2335 C ASP 149 27.619 40.531 -1.372 1.00 0.00 -ATOM 2336 O ASP 149 27.469 39.829 -0.371 1.00 0.00 -ATOM 2337 N PRO 150 27.552 40.003 -2.618 1.00 0.00 -ATOM 2338 CD PRO 150 27.478 40.787 -3.852 1.00 0.00 -ATOM 2339 HD2 PRO 150 28.432 41.297 -3.985 1.00 0.00 -ATOM 2340 HD3 PRO 150 26.685 41.526 -3.735 1.00 0.00 -ATOM 2341 CG PRO 150 27.184 39.790 -4.972 1.00 0.00 -ATOM 2342 HG2 PRO 150 27.743 40.061 -5.868 1.00 0.00 -ATOM 2343 HG3 PRO 150 26.117 39.787 -5.197 1.00 0.00 -ATOM 2344 CB PRO 150 27.627 38.443 -4.429 1.00 0.00 -ATOM 2345 HB2 PRO 150 28.671 38.254 -4.679 1.00 0.00 -ATOM 2346 HB3 PRO 150 27.010 37.628 -4.807 1.00 0.00 -ATOM 2347 CA PRO 150 27.467 38.558 -2.903 1.00 0.00 -ATOM 2348 HA PRO 150 26.482 38.217 -2.583 1.00 0.00 -ATOM 2349 C PRO 150 28.554 37.729 -2.188 1.00 0.00 -ATOM 2350 O PRO 150 29.745 38.014 -2.332 1.00 0.00 -ATOM 2351 N TYR 151 28.132 36.722 -1.410 1.00 0.00 -ATOM 2352 H TYR 151 27.134 36.617 -1.299 1.00 0.00 -ATOM 2353 CA TYR 151 29.007 35.757 -0.751 1.00 0.00 -ATOM 2354 HA TYR 151 30.028 36.136 -0.705 1.00 0.00 -ATOM 2355 CB TYR 151 28.502 35.523 0.689 1.00 0.00 -ATOM 2356 HB2 TYR 151 28.512 36.498 1.176 1.00 0.00 -ATOM 2357 HB3 TYR 151 27.473 35.176 0.593 1.00 0.00 -ATOM 2358 CG TYR 151 29.295 34.531 1.526 1.00 0.00 -ATOM 2359 CD1 TYR 151 30.670 34.735 1.764 1.00 0.00 -ATOM 2360 HD1 TYR 151 31.163 35.618 1.358 1.00 0.00 -ATOM 2361 CE1 TYR 151 31.406 33.804 2.522 1.00 0.00 -ATOM 2362 HE1 TYR 151 32.469 33.966 2.700 1.00 0.00 -ATOM 2363 CZ TYR 151 30.768 32.667 3.054 1.00 0.00 -ATOM 2364 OH TYR 151 31.483 31.752 3.770 1.00 0.00 -ATOM 2365 HH TYR 151 32.412 31.981 3.850 1.00 0.00 -ATOM 2366 CE2 TYR 151 29.390 32.475 2.840 1.00 0.00 -ATOM 2367 HE2 TYR 151 28.892 31.607 3.271 1.00 0.00 -ATOM 2368 CD2 TYR 151 28.656 33.399 2.073 1.00 0.00 -ATOM 2369 HD2 TYR 151 27.591 33.240 1.901 1.00 0.00 -ATOM 2370 C TYR 151 28.914 34.448 -1.540 1.00 0.00 -ATOM 2371 O TYR 151 27.845 33.842 -1.618 1.00 0.00 -ATOM 2372 N ASP 152 30.047 34.006 -2.101 1.00 0.00 -ATOM 2373 H ASP 152 30.852 34.615 -2.070 1.00 0.00 -ATOM 2374 CA ASP 152 30.184 32.712 -2.756 1.00 0.00 -ATOM 2375 HA ASP 152 29.292 32.471 -3.335 1.00 0.00 -ATOM 2376 CB ASP 152 31.396 32.786 -3.720 1.00 0.00 -ATOM 2377 HB2 ASP 152 31.282 33.721 -4.269 1.00 0.00 -ATOM 2378 HB3 ASP 152 32.302 32.828 -3.116 1.00 0.00 -ATOM 2379 CG ASP 152 31.497 31.620 -4.712 1.00 0.00 -ATOM 2380 OD1 ASP 152 31.375 30.456 -4.270 1.00 0.00 -ATOM 2381 OD2 ASP 152 31.723 31.907 -5.907 1.00 0.00 -ATOM 2382 C ASP 152 30.405 31.648 -1.667 1.00 0.00 -ATOM 2383 O ASP 152 31.344 31.752 -0.877 1.00 0.00 -ATOM 2384 N GLN 153 29.549 30.616 -1.661 1.00 0.00 -ATOM 2385 H GLN 153 28.699 30.761 -2.187 1.00 0.00 -ATOM 2386 CA GLN 153 29.623 29.460 -0.770 1.00 0.00 -ATOM 2387 HA GLN 153 30.648 29.350 -0.416 1.00 0.00 -ATOM 2388 CB GLN 153 28.691 29.608 0.454 1.00 0.00 -ATOM 2389 HB2 GLN 153 29.050 28.896 1.197 1.00 0.00 -ATOM 2390 HB3 GLN 153 28.835 30.623 0.825 1.00 0.00 -ATOM 2391 CG GLN 153 27.186 29.364 0.191 1.00 0.00 -ATOM 2392 HG2 GLN 153 26.832 30.131 -0.498 1.00 0.00 -ATOM 2393 HG3 GLN 153 27.101 28.385 -0.281 1.00 0.00 -ATOM 2394 CD GLN 153 26.299 29.384 1.444 1.00 0.00 -ATOM 2395 OE1 GLN 153 25.095 29.159 1.344 1.00 0.00 -ATOM 2396 NE2 GLN 153 26.862 29.632 2.630 1.00 0.00 -ATOM 2397 HE21 GLN 153 26.291 29.648 3.463 1.00 0.00 -ATOM 2398 HE22 GLN 153 27.856 29.802 2.688 1.00 0.00 -ATOM 2399 C GLN 153 29.541 28.136 -1.538 1.00 0.00 -ATOM 2400 O GLN 153 29.165 27.117 -0.961 1.00 0.00 -ATOM 2401 N SER 154 29.947 28.131 -2.822 1.00 0.00 -ATOM 2402 H SER 154 30.100 29.037 -3.241 1.00 0.00 -ATOM 2403 CA SER 154 30.069 26.942 -3.672 1.00 0.00 -ATOM 2404 HA SER 154 29.143 26.368 -3.656 1.00 0.00 -ATOM 2405 CB SER 154 30.354 27.378 -5.125 1.00 0.00 -ATOM 2406 HB2 SER 154 30.215 26.506 -5.764 1.00 0.00 -ATOM 2407 HB3 SER 154 29.623 28.142 -5.389 1.00 0.00 -ATOM 2408 OG SER 154 31.659 27.891 -5.306 1.00 0.00 -ATOM 2409 HG SER 154 31.779 28.145 -6.224 1.00 0.00 -ATOM 2410 C SER 154 31.113 25.918 -3.172 1.00 0.00 -ATOM 2411 O SER 154 31.089 24.769 -3.612 1.00 0.00 -ATOM 2412 N PHE 155 31.983 26.308 -2.220 1.00 0.00 -ATOM 2413 H PHE 155 32.020 27.299 -2.027 1.00 0.00 -ATOM 2414 CA PHE 155 32.909 25.430 -1.510 1.00 0.00 -ATOM 2415 HA PHE 155 33.449 24.798 -2.215 1.00 0.00 -ATOM 2416 CB PHE 155 33.934 26.288 -0.730 1.00 0.00 -ATOM 2417 HB2 PHE 155 34.802 25.680 -0.477 1.00 0.00 -ATOM 2418 HB3 PHE 155 34.238 27.093 -1.400 1.00 0.00 -ATOM 2419 CG PHE 155 33.471 26.949 0.565 1.00 0.00 -ATOM 2420 CD1 PHE 155 33.607 26.271 1.797 1.00 0.00 -ATOM 2421 HD1 PHE 155 34.024 25.264 1.817 1.00 0.00 -ATOM 2422 CE1 PHE 155 33.206 26.891 2.997 1.00 0.00 -ATOM 2423 HE1 PHE 155 33.306 26.361 3.944 1.00 0.00 -ATOM 2424 CZ PHE 155 32.676 28.195 2.972 1.00 0.00 -ATOM 2425 HZ PHE 155 32.366 28.675 3.900 1.00 0.00 -ATOM 2426 CE2 PHE 155 32.547 28.879 1.749 1.00 0.00 -ATOM 2427 HE2 PHE 155 32.140 29.890 1.729 1.00 0.00 -ATOM 2428 CD2 PHE 155 32.944 28.256 0.550 1.00 0.00 -ATOM 2429 HD2 PHE 155 32.845 28.785 -0.398 1.00 0.00 -ATOM 2430 C PHE 155 32.197 24.444 -0.558 1.00 0.00 -ATOM 2431 O PHE 155 32.763 23.402 -0.240 1.00 0.00 -ATOM 2432 N GLU 156 30.967 24.750 -0.105 1.00 0.00 -ATOM 2433 H GLU 156 30.554 25.614 -0.426 1.00 0.00 -ATOM 2434 CA GLU 156 30.209 23.928 0.842 1.00 0.00 -ATOM 2435 HA GLU 156 30.836 23.653 1.690 1.00 0.00 -ATOM 2436 CB GLU 156 28.995 24.731 1.365 1.00 0.00 -ATOM 2437 HB2 GLU 156 28.446 25.078 0.489 1.00 0.00 -ATOM 2438 HB3 GLU 156 28.376 24.033 1.929 1.00 0.00 -ATOM 2439 CG GLU 156 29.354 25.940 2.260 1.00 0.00 -ATOM 2440 HG2 GLU 156 30.152 26.474 1.743 1.00 0.00 -ATOM 2441 HG3 GLU 156 28.471 26.576 2.319 1.00 0.00 -ATOM 2442 CD GLU 156 29.817 25.576 3.676 1.00 0.00 -ATOM 2443 OE1 GLU 156 30.066 24.380 3.944 1.00 0.00 -ATOM 2444 OE2 GLU 156 29.905 26.513 4.499 1.00 0.00 -ATOM 2445 C GLU 156 29.710 22.613 0.215 1.00 0.00 -ATOM 2446 O GLU 156 29.590 21.619 0.932 1.00 0.00 -ATOM 2447 N SER 157 29.471 22.588 -1.106 1.00 0.00 -ATOM 2448 H SER 157 29.515 23.476 -1.586 1.00 0.00 -ATOM 2449 CA SER 157 29.122 21.396 -1.882 1.00 0.00 -ATOM 2450 HA SER 157 28.663 20.636 -1.250 1.00 0.00 -ATOM 2451 CB SER 157 28.102 21.819 -2.965 1.00 0.00 -ATOM 2452 HB2 SER 157 27.703 20.910 -3.415 1.00 0.00 -ATOM 2453 HB3 SER 157 27.298 22.360 -2.466 1.00 0.00 -ATOM 2454 OG SER 157 28.665 22.636 -3.974 1.00 0.00 -ATOM 2455 HG SER 157 27.988 22.866 -4.615 1.00 0.00 -ATOM 2456 C SER 157 30.357 20.735 -2.539 1.00 0.00 -ATOM 2457 O SER 157 30.215 19.678 -3.151 1.00 0.00 -ATOM 2458 N ARG 158 31.550 21.343 -2.420 1.00 0.00 -ATOM 2459 H ARG 158 31.571 22.174 -1.846 1.00 0.00 -ATOM 2460 CA ARG 158 32.805 20.873 -3.004 1.00 0.00 -ATOM 2461 HA ARG 158 32.634 20.349 -3.945 1.00 0.00 -ATOM 2462 CB ARG 158 33.675 22.115 -3.283 1.00 0.00 -ATOM 2463 HB2 ARG 158 33.036 22.833 -3.798 1.00 0.00 -ATOM 2464 HB3 ARG 158 33.964 22.517 -2.312 1.00 0.00 -ATOM 2465 CG ARG 158 34.937 21.855 -4.126 1.00 0.00 -ATOM 2466 HG2 ARG 158 35.483 21.027 -3.674 1.00 0.00 -ATOM 2467 HG3 ARG 158 34.623 21.577 -5.132 1.00 0.00 -ATOM 2468 CD ARG 158 35.847 23.088 -4.198 1.00 0.00 -ATOM 2469 HD2 ARG 158 36.174 23.352 -3.192 1.00 0.00 -ATOM 2470 HD3 ARG 158 36.716 22.857 -4.814 1.00 0.00 -ATOM 2471 NE ARG 158 35.147 24.242 -4.784 1.00 0.00 -ATOM 2472 HE ARG 158 34.472 24.015 -5.500 1.00 0.00 -ATOM 2473 CZ ARG 158 35.324 25.533 -4.455 1.00 0.00 -ATOM 2474 NH1 ARG 158 36.235 25.909 -3.547 1.00 0.00 -ATOM 2475 HH11 ARG 158 36.808 25.212 -3.093 1.00 0.00 -ATOM 2476 HH12 ARG 158 36.344 26.887 -3.321 1.00 0.00 -ATOM 2477 NH2 ARG 158 34.571 26.462 -5.052 1.00 0.00 -ATOM 2478 HH21 ARG 158 33.883 26.186 -5.738 1.00 0.00 -ATOM 2479 HH22 ARG 158 34.693 27.436 -4.814 1.00 0.00 -ATOM 2480 C ARG 158 33.543 19.983 -1.991 1.00 0.00 -ATOM 2481 O ARG 158 33.608 20.308 -0.805 1.00 0.00 -ATOM 2482 N ASP 159 34.116 18.876 -2.484 1.00 0.00 -ATOM 2483 H ASP 159 33.941 18.690 -3.461 1.00 0.00 -ATOM 2484 CA ASP 159 34.972 17.949 -1.744 1.00 0.00 -ATOM 2485 HA ASP 159 34.842 18.094 -0.672 1.00 0.00 -ATOM 2486 CB ASP 159 34.596 16.491 -2.095 1.00 0.00 -ATOM 2487 HB2 ASP 159 34.729 16.347 -3.167 1.00 0.00 -ATOM 2488 HB3 ASP 159 35.284 15.841 -1.554 1.00 0.00 -ATOM 2489 CG ASP 159 33.158 16.145 -1.709 1.00 0.00 -ATOM 2490 OD1 ASP 159 32.915 16.039 -0.486 1.00 0.00 -ATOM 2491 OD2 ASP 159 32.331 16.010 -2.638 1.00 0.00 -ATOM 2492 C ASP 159 36.431 18.189 -2.146 1.00 0.00 -ATOM 2493 O ASP 159 36.759 18.185 -3.333 1.00 0.00 -ATOM 2494 N LEU 160 37.295 18.381 -1.138 1.00 0.00 -ATOM 2495 H LEU 160 36.872 18.467 -0.225 1.00 0.00 -ATOM 2496 CA LEU 160 38.741 18.569 -1.253 1.00 0.00 -ATOM 2497 HA LEU 160 39.090 18.121 -2.183 1.00 0.00 -ATOM 2498 CB LEU 160 39.118 20.070 -1.255 1.00 0.00 -ATOM 2499 HB2 LEU 160 38.698 20.436 -0.318 1.00 0.00 -ATOM 2500 HB3 LEU 160 40.206 20.129 -1.213 1.00 0.00 -ATOM 2501 CG LEU 160 38.601 20.936 -2.422 1.00 0.00 -ATOM 2502 HG LEU 160 37.524 20.801 -2.523 1.00 0.00 -ATOM 2503 CD1 LEU 160 38.907 22.414 -2.144 1.00 0.00 -ATOM 2504 HD11 LEU 160 39.984 22.550 -2.043 1.00 0.00 -ATOM 2505 HD12 LEU 160 38.540 23.023 -2.970 1.00 0.00 -ATOM 2506 HD13 LEU 160 38.414 22.720 -1.221 1.00 0.00 -ATOM 2507 CD2 LEU 160 39.202 20.528 -3.777 1.00 0.00 -ATOM 2508 HD21 LEU 160 38.944 19.491 -3.992 1.00 0.00 -ATOM 2509 HD22 LEU 160 38.802 21.171 -4.561 1.00 0.00 -ATOM 2510 HD23 LEU 160 40.286 20.632 -3.740 1.00 0.00 -ATOM 2511 C LEU 160 39.467 17.799 -0.141 1.00 0.00 -ATOM 2512 O LEU 160 38.861 17.388 0.850 1.00 0.00 -ATOM 2513 N LEU 161 40.786 17.628 -0.307 1.00 0.00 -ATOM 2514 H LEU 161 41.163 17.964 -1.182 1.00 0.00 -ATOM 2515 CA LEU 161 41.708 17.039 0.666 1.00 0.00 -ATOM 2516 HA LEU 161 41.262 16.171 1.152 1.00 0.00 -ATOM 2517 CB LEU 161 42.978 16.583 -0.093 1.00 0.00 -ATOM 2518 HB2 LEU 161 43.362 17.513 -0.512 1.00 0.00 -ATOM 2519 HB3 LEU 161 43.702 16.177 0.613 1.00 0.00 -ATOM 2520 CG LEU 161 42.742 15.564 -1.232 1.00 0.00 -ATOM 2521 HG LEU 161 41.991 15.963 -1.914 1.00 0.00 -ATOM 2522 CD1 LEU 161 44.045 15.305 -2.000 1.00 0.00 -ATOM 2523 HD11 LEU 161 44.796 14.906 -1.318 1.00 0.00 -ATOM 2524 HD12 LEU 161 43.860 14.586 -2.798 1.00 0.00 -ATOM 2525 HD13 LEU 161 44.406 16.239 -2.430 1.00 0.00 -ATOM 2526 CD2 LEU 161 42.137 14.241 -0.733 1.00 0.00 -ATOM 2527 HD21 LEU 161 41.176 14.437 -0.258 1.00 0.00 -ATOM 2528 HD22 LEU 161 41.994 13.565 -1.576 1.00 0.00 -ATOM 2529 HD23 LEU 161 42.812 13.782 -0.011 1.00 0.00 -ATOM 2530 C LEU 161 42.121 18.088 1.719 1.00 0.00 -ATOM 2531 O LEU 161 41.835 19.278 1.565 1.00 0.00 -ATOM 2532 N ILE 162 42.803 17.643 2.791 1.00 0.00 -ATOM 2533 H ILE 162 42.899 16.640 2.858 1.00 0.00 -ATOM 2534 CA ILE 162 43.305 18.468 3.902 1.00 0.00 -ATOM 2535 HA ILE 162 42.513 19.049 4.374 1.00 0.00 -ATOM 2536 CB ILE 162 44.012 17.585 4.975 1.00 0.00 -ATOM 2537 HB ILE 162 44.781 16.999 4.472 1.00 0.00 -ATOM 2538 CG2 ILE 162 44.658 18.421 6.105 1.00 0.00 -ATOM 2539 HG21 ILE 162 43.889 19.007 6.609 1.00 0.00 -ATOM 2540 HG22 ILE 162 45.135 17.754 6.823 1.00 0.00 -ATOM 2541 HG23 ILE 162 45.405 19.091 5.680 1.00 0.00 -ATOM 2542 CG1 ILE 162 43.034 16.548 5.567 1.00 0.00 -ATOM 2543 HG12 ILE 162 42.240 17.116 6.051 1.00 0.00 -ATOM 2544 HG13 ILE 162 42.622 15.996 4.722 1.00 0.00 -ATOM 2545 CD1 ILE 162 43.643 15.562 6.573 1.00 0.00 -ATOM 2546 HD11 ILE 162 44.054 16.113 7.419 1.00 0.00 -ATOM 2547 HD12 ILE 162 42.871 14.879 6.926 1.00 0.00 -ATOM 2548 HD13 ILE 162 44.437 14.993 6.090 1.00 0.00 -ATOM 2549 C ILE 162 44.215 19.608 3.414 1.00 0.00 -ATOM 2550 O ILE 162 43.970 20.764 3.755 1.00 0.00 -ATOM 2551 N ASP 163 45.239 19.278 2.608 1.00 0.00 -ATOM 2552 H ASP 163 45.346 18.299 2.386 1.00 0.00 -ATOM 2553 CA ASP 163 46.231 20.222 2.085 1.00 0.00 -ATOM 2554 HA ASP 163 46.581 20.875 2.885 1.00 0.00 -ATOM 2555 CB ASP 163 47.443 19.457 1.506 1.00 0.00 -ATOM 2556 HB2 ASP 163 47.068 18.810 0.713 1.00 0.00 -ATOM 2557 HB3 ASP 163 48.127 20.192 1.082 1.00 0.00 -ATOM 2558 CG ASP 163 48.184 18.611 2.547 1.00 0.00 -ATOM 2559 OD1 ASP 163 48.515 17.455 2.203 1.00 0.00 -ATOM 2560 OD2 ASP 163 48.403 19.125 3.666 1.00 0.00 -ATOM 2561 C ASP 163 45.672 21.171 1.009 1.00 0.00 -ATOM 2562 O ASP 163 46.260 22.227 0.782 1.00 0.00 -ATOM 2563 N GLU 164 44.531 20.833 0.385 1.00 0.00 -ATOM 2564 H GLU 164 44.129 19.936 0.618 1.00 0.00 -ATOM 2565 CA GLU 164 43.833 21.675 -0.586 1.00 0.00 -ATOM 2566 HA GLU 164 44.544 22.202 -1.222 1.00 0.00 -ATOM 2567 CB GLU 164 42.954 20.775 -1.471 1.00 0.00 -ATOM 2568 HB2 GLU 164 42.385 20.119 -0.813 1.00 0.00 -ATOM 2569 HB3 GLU 164 42.269 21.420 -2.021 1.00 0.00 -ATOM 2570 CG GLU 164 43.768 19.925 -2.464 1.00 0.00 -ATOM 2571 HG2 GLU 164 44.335 20.622 -3.082 1.00 0.00 -ATOM 2572 HG3 GLU 164 44.457 19.297 -1.900 1.00 0.00 -ATOM 2573 CD GLU 164 42.893 19.045 -3.359 1.00 0.00 -ATOM 2574 OE1 GLU 164 41.857 18.552 -2.863 1.00 0.00 -ATOM 2575 OE2 GLU 164 43.288 18.858 -4.530 1.00 0.00 -ATOM 2576 C GLU 164 42.930 22.698 0.129 1.00 0.00 -ATOM 2577 O GLU 164 42.855 23.839 -0.323 1.00 0.00 -ATOM 2578 N TRP 165 42.305 22.328 1.264 1.00 0.00 -ATOM 2579 H TRP 165 42.356 21.353 1.524 1.00 0.00 -ATOM 2580 CA TRP 165 41.566 23.244 2.141 1.00 0.00 -ATOM 2581 HA TRP 165 40.872 23.845 1.554 1.00 0.00 -ATOM 2582 CB TRP 165 40.761 22.441 3.186 1.00 0.00 -ATOM 2583 HB2 TRP 165 41.381 21.622 3.550 1.00 0.00 -ATOM 2584 HB3 TRP 165 40.510 23.102 4.015 1.00 0.00 -ATOM 2585 CG TRP 165 39.477 21.831 2.721 1.00 0.00 -ATOM 2586 CD1 TRP 165 39.121 20.535 2.873 1.00 0.00 -ATOM 2587 HD1 TRP 165 39.820 19.877 3.389 1.00 0.00 -ATOM 2588 NE1 TRP 165 37.881 20.331 2.306 1.00 0.00 -ATOM 2589 HE1 TRP 165 37.421 19.432 2.306 1.00 0.00 -ATOM 2590 CE2 TRP 165 37.385 21.483 1.736 1.00 0.00 -ATOM 2591 CZ2 TRP 165 36.227 21.768 0.996 1.00 0.00 -ATOM 2592 HZ2 TRP 165 35.539 20.941 0.817 1.00 0.00 -ATOM 2593 CH2 TRP 165 36.018 23.078 0.533 1.00 0.00 -ATOM 2594 HH2 TRP 165 35.146 23.326 -0.072 1.00 0.00 -ATOM 2595 CZ3 TRP 165 36.940 24.093 0.848 1.00 0.00 -ATOM 2596 HZ3 TRP 165 36.789 25.124 0.528 1.00 0.00 -ATOM 2597 CE3 TRP 165 38.095 23.796 1.594 1.00 0.00 -ATOM 2598 HE3 TRP 165 38.761 24.636 1.792 1.00 0.00 -ATOM 2599 CD2 TRP 165 38.368 22.476 2.028 1.00 0.00 -ATOM 2600 C TRP 165 42.501 24.194 2.903 1.00 0.00 -ATOM 2601 O TRP 165 42.144 25.346 3.139 1.00 0.00 -ATOM 2602 N LYS 166 43.700 23.710 3.257 1.00 0.00 -ATOM 2603 H LYS 166 43.859 22.744 3.008 1.00 0.00 -ATOM 2604 CA LYS 166 44.763 24.430 3.949 1.00 0.00 -ATOM 2605 HA LYS 166 44.392 24.968 4.821 1.00 0.00 -ATOM 2606 CB LYS 166 45.760 23.359 4.420 1.00 0.00 -ATOM 2607 HB2 LYS 166 45.184 22.668 5.035 1.00 0.00 -ATOM 2608 HB3 LYS 166 46.095 22.848 3.517 1.00 0.00 -ATOM 2609 CG LYS 166 46.975 23.852 5.208 1.00 0.00 -ATOM 2610 HG2 LYS 166 47.567 24.507 4.569 1.00 0.00 -ATOM 2611 HG3 LYS 166 46.628 24.410 6.077 1.00 0.00 -ATOM 2612 CD LYS 166 47.838 22.673 5.670 1.00 0.00 -ATOM 2613 HD2 LYS 166 47.229 22.024 6.299 1.00 0.00 -ATOM 2614 HD3 LYS 166 48.168 22.120 4.790 1.00 0.00 -ATOM 2615 CE LYS 166 49.056 23.148 6.458 1.00 0.00 -ATOM 2616 HE2 LYS 166 49.622 23.838 5.832 1.00 0.00 -ATOM 2617 HE3 LYS 166 48.706 23.670 7.349 1.00 0.00 -ATOM 2618 NZ LYS 166 49.920 22.025 6.855 1.00 0.00 -ATOM 2619 HZ1 LYS 166 50.244 21.542 6.030 1.00 0.00 -ATOM 2620 HZ2 LYS 166 50.713 22.377 7.373 1.00 0.00 -ATOM 2621 HZ3 LYS 166 49.396 21.386 7.435 1.00 0.00 -ATOM 2622 C LYS 166 45.463 25.439 3.022 1.00 0.00 -ATOM 2623 O LYS 166 45.857 26.506 3.487 1.00 0.00 -ATOM 2624 N SER 167 45.576 25.130 1.718 1.00 0.00 -ATOM 2625 H SER 167 45.321 24.191 1.447 1.00 0.00 -ATOM 2626 CA SER 167 46.096 26.032 0.690 1.00 0.00 -ATOM 2627 HA SER 167 47.014 26.512 1.028 1.00 0.00 -ATOM 2628 CB SER 167 46.407 25.211 -0.578 1.00 0.00 -ATOM 2629 HB2 SER 167 47.130 24.440 -0.312 1.00 0.00 -ATOM 2630 HB3 SER 167 45.482 24.741 -0.912 1.00 0.00 -ATOM 2631 OG SER 167 46.932 26.010 -1.619 1.00 0.00 -ATOM 2632 HG SER 167 47.110 25.460 -2.386 1.00 0.00 -ATOM 2633 C SER 167 45.101 27.168 0.394 1.00 0.00 -ATOM 2634 O SER 167 45.527 28.310 0.235 1.00 0.00 -ATOM 2635 N LEU 168 43.786 26.876 0.393 1.00 0.00 -ATOM 2636 H LEU 168 43.525 25.904 0.483 1.00 0.00 -ATOM 2637 CA LEU 168 42.721 27.870 0.252 1.00 0.00 -ATOM 2638 HA LEU 168 42.919 28.512 -0.606 1.00 0.00 -ATOM 2639 CB LEU 168 41.365 27.162 0.036 1.00 0.00 -ATOM 2640 HB2 LEU 168 41.351 26.380 0.795 1.00 0.00 -ATOM 2641 HB3 LEU 168 40.563 27.874 0.233 1.00 0.00 -ATOM 2642 CG LEU 168 41.160 26.530 -1.356 1.00 0.00 -ATOM 2643 HG LEU 168 42.050 25.961 -1.625 1.00 0.00 -ATOM 2644 CD1 LEU 168 39.942 25.597 -1.338 1.00 0.00 -ATOM 2645 HD11 LEU 168 39.052 26.166 -1.069 1.00 0.00 -ATOM 2646 HD12 LEU 168 39.807 25.156 -2.326 1.00 0.00 -ATOM 2647 HD13 LEU 168 40.101 24.805 -0.606 1.00 0.00 -ATOM 2648 CD2 LEU 168 40.997 27.583 -2.462 1.00 0.00 -ATOM 2649 HD21 LEU 168 41.890 28.207 -2.505 1.00 0.00 -ATOM 2650 HD22 LEU 168 40.856 27.085 -3.421 1.00 0.00 -ATOM 2651 HD23 LEU 168 40.129 28.206 -2.246 1.00 0.00 -ATOM 2652 C LEU 168 42.612 28.776 1.492 1.00 0.00 -ATOM 2653 O LEU 168 42.323 29.962 1.341 1.00 0.00 -ATOM 2654 N THR 169 42.885 28.244 2.699 1.00 0.00 -ATOM 2655 H THR 169 43.068 27.251 2.739 1.00 0.00 -ATOM 2656 CA THR 169 42.906 29.005 3.951 1.00 0.00 -ATOM 2657 HA THR 169 41.989 29.592 3.993 1.00 0.00 -ATOM 2658 CB THR 169 42.937 28.047 5.169 1.00 0.00 -ATOM 2659 HB THR 169 43.830 27.429 5.071 1.00 0.00 -ATOM 2660 CG2 THR 169 42.958 28.767 6.529 1.00 0.00 -ATOM 2661 HG21 THR 169 42.065 29.384 6.628 1.00 0.00 -ATOM 2662 HG22 THR 169 42.979 28.029 7.331 1.00 0.00 -ATOM 2663 HG23 THR 169 43.844 29.398 6.593 1.00 0.00 -ATOM 2664 OG1 THR 169 41.761 27.267 5.189 1.00 0.00 -ATOM 2665 HG1 THR 169 41.783 26.675 5.944 1.00 0.00 -ATOM 2666 C THR 169 44.136 29.928 3.986 1.00 0.00 -ATOM 2667 O THR 169 43.990 31.085 4.366 1.00 0.00 -ATOM 2668 N TYR 170 45.320 29.446 3.557 1.00 0.00 -ATOM 2669 H TYR 170 45.349 28.469 3.303 1.00 0.00 -ATOM 2670 CA TYR 170 46.566 30.215 3.502 1.00 0.00 -ATOM 2671 HA TYR 170 46.792 30.628 4.485 1.00 0.00 -ATOM 2672 CB TYR 170 47.734 29.306 3.070 1.00 0.00 -ATOM 2673 HB2 TYR 170 47.735 28.474 3.775 1.00 0.00 -ATOM 2674 HB3 TYR 170 47.517 28.933 2.069 1.00 0.00 -ATOM 2675 CG TYR 170 49.101 29.977 3.076 1.00 0.00 -ATOM 2676 CD1 TYR 170 49.674 30.417 4.288 1.00 0.00 -ATOM 2677 HD1 TYR 170 49.148 30.243 5.227 1.00 0.00 -ATOM 2678 CE1 TYR 170 50.919 31.078 4.289 1.00 0.00 -ATOM 2679 HE1 TYR 170 51.363 31.407 5.228 1.00 0.00 -ATOM 2680 CZ TYR 170 51.596 31.300 3.074 1.00 0.00 -ATOM 2681 OH TYR 170 52.788 31.965 3.055 1.00 0.00 -ATOM 2682 HH TYR 170 53.078 32.240 3.928 1.00 0.00 -ATOM 2683 CE2 TYR 170 51.037 30.847 1.865 1.00 0.00 -ATOM 2684 HE2 TYR 170 51.570 31.003 0.927 1.00 0.00 -ATOM 2685 CD2 TYR 170 49.790 30.192 1.866 1.00 0.00 -ATOM 2686 HD2 TYR 170 49.354 29.849 0.928 1.00 0.00 -ATOM 2687 C TYR 170 46.458 31.428 2.565 1.00 0.00 -ATOM 2688 O TYR 170 46.891 32.513 2.944 1.00 0.00 -ATOM 2689 N ASP 171 45.823 31.270 1.390 1.00 0.00 -ATOM 2690 H ASP 171 45.561 30.331 1.124 1.00 0.00 -ATOM 2691 CA ASP 171 45.550 32.360 0.449 1.00 0.00 -ATOM 2692 HA ASP 171 46.481 32.872 0.205 1.00 0.00 -ATOM 2693 CB ASP 171 44.925 31.822 -0.859 1.00 0.00 -ATOM 2694 HB2 ASP 171 44.034 31.274 -0.552 1.00 0.00 -ATOM 2695 HB3 ASP 171 44.633 32.682 -1.462 1.00 0.00 -ATOM 2696 CG ASP 171 45.829 30.903 -1.685 1.00 0.00 -ATOM 2697 OD1 ASP 171 47.067 31.024 -1.561 1.00 0.00 -ATOM 2698 OD2 ASP 171 45.256 30.103 -2.455 1.00 0.00 -ATOM 2699 C ASP 171 44.637 33.449 1.033 1.00 0.00 -ATOM 2700 O ASP 171 44.849 34.619 0.727 1.00 0.00 -ATOM 2701 N GLU 172 43.670 33.088 1.895 1.00 0.00 -ATOM 2702 H GLU 172 43.554 32.101 2.076 1.00 0.00 -ATOM 2703 CA GLU 172 42.766 34.027 2.563 1.00 0.00 -ATOM 2704 HA GLU 172 42.434 34.798 1.868 1.00 0.00 -ATOM 2705 CB GLU 172 41.528 33.256 3.074 1.00 0.00 -ATOM 2706 HB2 GLU 172 41.897 32.380 3.607 1.00 0.00 -ATOM 2707 HB3 GLU 172 41.010 33.913 3.772 1.00 0.00 -ATOM 2708 CG GLU 172 40.550 32.810 1.965 1.00 0.00 -ATOM 2709 HG2 GLU 172 41.145 32.246 1.246 1.00 0.00 -ATOM 2710 HG3 GLU 172 39.807 32.153 2.417 1.00 0.00 -ATOM 2711 CD GLU 172 39.842 33.962 1.248 1.00 0.00 -ATOM 2712 OE1 GLU 172 39.403 34.900 1.947 1.00 0.00 -ATOM 2713 OE2 GLU 172 39.727 33.882 0.008 1.00 0.00 -ATOM 2714 C GLU 172 43.440 34.750 3.751 1.00 0.00 -ATOM 2715 O GLU 172 43.051 35.880 4.045 1.00 0.00 -ATOM 2716 N VAL 173 44.466 34.160 4.395 1.00 0.00 -ATOM 2717 H VAL 173 44.655 33.191 4.182 1.00 0.00 -ATOM 2718 CA VAL 173 45.283 34.820 5.426 1.00 0.00 -ATOM 2719 HA VAL 173 44.679 35.398 6.125 1.00 0.00 -ATOM 2720 CB VAL 173 46.104 33.763 6.231 1.00 0.00 -ATOM 2721 HB VAL 173 46.633 33.143 5.507 1.00 0.00 -ATOM 2722 CG1 VAL 173 47.119 34.382 7.217 1.00 0.00 -ATOM 2723 HG11 VAL 173 46.591 35.002 7.942 1.00 0.00 -ATOM 2724 HG12 VAL 173 47.651 33.586 7.739 1.00 0.00 -ATOM 2725 HG13 VAL 173 47.833 34.995 6.667 1.00 0.00 -ATOM 2726 CG2 VAL 173 45.195 32.802 7.020 1.00 0.00 -ATOM 2727 HG21 VAL 173 44.542 32.269 6.329 1.00 0.00 -ATOM 2728 HG22 VAL 173 45.809 32.085 7.564 1.00 0.00 -ATOM 2729 HG23 VAL 173 44.590 33.371 7.726 1.00 0.00 -ATOM 2730 C VAL 173 46.218 35.866 4.777 1.00 0.00 -ATOM 2731 O VAL 173 46.360 36.964 5.314 1.00 0.00 -ATOM 2732 N ILE 174 46.834 35.532 3.628 1.00 0.00 -ATOM 2733 H ILE 174 46.640 34.607 3.273 1.00 0.00 -ATOM 2734 CA ILE 174 47.800 36.366 2.905 1.00 0.00 -ATOM 2735 HA ILE 174 48.480 36.941 3.533 1.00 0.00 -ATOM 2736 CB ILE 174 48.625 35.453 1.945 1.00 0.00 -ATOM 2737 HB ILE 174 47.908 34.821 1.421 1.00 0.00 -ATOM 2738 CG2 ILE 174 49.495 36.209 0.915 1.00 0.00 -ATOM 2739 HG21 ILE 174 50.212 36.841 1.439 1.00 0.00 -ATOM 2740 HG22 ILE 174 50.030 35.491 0.294 1.00 0.00 -ATOM 2741 HG23 ILE 174 48.857 36.829 0.285 1.00 0.00 -ATOM 2742 CG1 ILE 174 49.491 34.424 2.715 1.00 0.00 -ATOM 2743 HG12 ILE 174 48.813 33.882 3.375 1.00 0.00 -ATOM 2744 HG13 ILE 174 49.895 33.740 1.968 1.00 0.00 -ATOM 2745 CD1 ILE 174 50.640 35.017 3.539 1.00 0.00 -ATOM 2746 HD11 ILE 174 50.237 35.701 4.286 1.00 0.00 -ATOM 2747 HD12 ILE 174 51.183 34.214 4.037 1.00 0.00 -ATOM 2748 HD13 ILE 174 51.318 35.559 2.880 1.00 0.00 -ATOM 2749 C ILE 174 47.114 37.514 2.137 1.00 0.00 -ATOM 2750 O ILE 174 47.652 38.621 2.121 1.00 0.00 -ATOM 2751 N SER 175 45.938 37.276 1.527 1.00 0.00 -ATOM 2752 H SER 175 45.577 36.334 1.568 1.00 0.00 -ATOM 2753 CA SER 175 45.184 38.278 0.762 1.00 0.00 -ATOM 2754 HA SER 175 45.868 38.948 0.241 1.00 0.00 -ATOM 2755 CB SER 175 44.293 37.569 -0.286 1.00 0.00 -ATOM 2756 HB2 SER 175 43.934 38.331 -0.977 1.00 0.00 -ATOM 2757 HB3 SER 175 44.923 36.860 -0.823 1.00 0.00 -ATOM 2758 OG SER 175 43.189 36.886 0.277 1.00 0.00 -ATOM 2759 HG SER 175 42.680 36.470 -0.422 1.00 0.00 -ATOM 2760 C SER 175 44.312 39.197 1.645 1.00 0.00 -ATOM 2761 O SER 175 43.580 40.025 1.099 1.00 0.00 -ATOM 2762 N PHE 176 44.381 39.074 2.983 1.00 0.00 -ATOM 2763 H PHE 176 44.968 38.339 3.351 1.00 0.00 -ATOM 2764 CA PHE 176 43.641 39.907 3.927 1.00 0.00 -ATOM 2765 HA PHE 176 42.583 39.923 3.663 1.00 0.00 -ATOM 2766 CB PHE 176 43.785 39.337 5.355 1.00 0.00 -ATOM 2767 HB2 PHE 176 43.331 38.346 5.365 1.00 0.00 -ATOM 2768 HB3 PHE 176 44.822 39.264 5.682 1.00 0.00 -ATOM 2769 CG PHE 176 43.054 40.161 6.404 1.00 0.00 -ATOM 2770 CD1 PHE 176 41.656 40.047 6.545 1.00 0.00 -ATOM 2771 HD1 PHE 176 41.111 39.319 5.944 1.00 0.00 -ATOM 2772 CE1 PHE 176 40.964 40.866 7.456 1.00 0.00 -ATOM 2773 HE1 PHE 176 39.884 40.771 7.568 1.00 0.00 -ATOM 2774 CZ PHE 176 41.669 41.809 8.223 1.00 0.00 -ATOM 2775 HZ PHE 176 41.135 42.451 8.924 1.00 0.00 -ATOM 2776 CE2 PHE 176 43.066 41.925 8.086 1.00 0.00 -ATOM 2777 HE2 PHE 176 43.608 42.664 8.676 1.00 0.00 -ATOM 2778 CD2 PHE 176 43.761 41.092 7.192 1.00 0.00 -ATOM 2779 HD2 PHE 176 44.845 41.166 7.109 1.00 0.00 -ATOM 2780 C PHE 176 44.146 41.361 3.893 1.00 0.00 -ATOM 2781 O PHE 176 45.326 41.623 4.128 1.00 0.00 -ATOM 2782 N VAL 177 43.210 42.288 3.650 1.00 0.00 -ATOM 2783 H VAL 177 42.309 41.933 3.364 1.00 0.00 -ATOM 2784 CA VAL 177 43.373 43.731 3.790 1.00 0.00 -ATOM 2785 HA VAL 177 44.414 44.050 3.851 1.00 0.00 -ATOM 2786 CB VAL 177 42.709 44.431 2.570 1.00 0.00 -ATOM 2787 HB VAL 177 41.660 44.135 2.547 1.00 0.00 -ATOM 2788 CG1 VAL 177 42.808 45.968 2.634 1.00 0.00 -ATOM 2789 HG11 VAL 177 43.857 46.264 2.656 1.00 0.00 -ATOM 2790 HG12 VAL 177 42.327 46.400 1.756 1.00 0.00 -ATOM 2791 HG13 VAL 177 42.310 46.328 3.534 1.00 0.00 -ATOM 2792 CG2 VAL 177 43.298 43.941 1.233 1.00 0.00 -ATOM 2793 HG21 VAL 177 43.139 42.867 1.137 1.00 0.00 -ATOM 2794 HG22 VAL 177 42.806 44.456 0.408 1.00 0.00 -ATOM 2795 HG23 VAL 177 44.367 44.153 1.207 1.00 0.00 -ATOM 2796 C VAL 177 42.639 44.121 5.093 1.00 0.00 -ATOM 2797 O VAL 177 41.491 43.705 5.272 1.00 0.00 -ATOM 2798 N PRO 178 43.246 44.921 5.999 1.00 0.00 -ATOM 2799 CD PRO 178 44.610 45.444 5.903 1.00 0.00 -ATOM 2800 HD2 PRO 178 44.700 45.984 4.961 1.00 0.00 -ATOM 2801 HD3 PRO 178 45.298 44.599 5.904 1.00 0.00 -ATOM 2802 CG PRO 178 44.798 46.351 7.120 1.00 0.00 -ATOM 2803 HG2 PRO 178 44.624 47.392 6.848 1.00 0.00 -ATOM 2804 HG3 PRO 178 45.806 46.244 7.520 1.00 0.00 -ATOM 2805 CB PRO 178 43.763 45.858 8.119 1.00 0.00 -ATOM 2806 HB2 PRO 178 43.424 46.688 8.739 1.00 0.00 -ATOM 2807 HB3 PRO 178 44.130 45.055 8.757 1.00 0.00 -ATOM 2808 CA PRO 178 42.606 45.349 7.251 1.00 0.00 -ATOM 2809 HA PRO 178 42.125 44.480 7.700 1.00 0.00 -ATOM 2810 C PRO 178 41.555 46.456 7.020 1.00 0.00 -ATOM 2811 O PRO 178 41.673 47.208 6.051 1.00 0.00 -ATOM 2812 N PRO 179 40.536 46.579 7.901 1.00 0.00 -ATOM 2813 CD PRO 179 40.307 45.727 9.070 1.00 0.00 -ATOM 2814 HD2 PRO 179 41.206 45.750 9.686 1.00 0.00 -ATOM 2815 HD3 PRO 179 40.135 44.710 8.718 1.00 0.00 -ATOM 2816 CG PRO 179 39.089 46.310 9.786 1.00 0.00 -ATOM 2817 HG2 PRO 179 39.404 46.941 10.617 1.00 0.00 -ATOM 2818 HG3 PRO 179 38.451 45.510 10.160 1.00 0.00 -ATOM 2819 CB PRO 179 38.374 47.118 8.715 1.00 0.00 -ATOM 2820 HB2 PRO 179 37.890 47.972 9.188 1.00 0.00 -ATOM 2821 HB3 PRO 179 37.636 46.550 8.149 1.00 0.00 -ATOM 2822 CA PRO 179 39.491 47.603 7.779 1.00 0.00 -ATOM 2823 HA PRO 179 39.157 47.639 6.742 1.00 0.00 -ATOM 2824 C PRO 179 40.023 48.997 8.199 1.00 0.00 -ATOM 2825 O PRO 179 40.876 49.056 9.088 1.00 0.00 -ATOM 2826 N PRO 180 39.544 50.108 7.583 1.00 0.00 -ATOM 2827 CD PRO 180 38.610 50.082 6.452 1.00 0.00 -ATOM 2828 HD2 PRO 180 37.663 49.680 6.813 1.00 0.00 -ATOM 2829 HD3 PRO 180 39.023 49.414 5.696 1.00 0.00 -ATOM 2830 CG PRO 180 38.485 51.521 5.953 1.00 0.00 -ATOM 2831 HG2 PRO 180 37.454 51.731 5.670 1.00 0.00 -ATOM 2832 HG3 PRO 180 39.136 51.677 5.093 1.00 0.00 -ATOM 2833 CB PRO 180 38.923 52.376 7.125 1.00 0.00 -ATOM 2834 HB2 PRO 180 38.093 52.641 7.780 1.00 0.00 -ATOM 2835 HB3 PRO 180 39.411 53.285 6.773 1.00 0.00 -ATOM 2836 CA PRO 180 39.930 51.501 7.885 1.00 0.00 -ATOM 2837 HA PRO 180 40.934 51.641 7.485 1.00 0.00 -ATOM 2838 C PRO 180 39.917 51.871 9.380 1.00 0.00 -ATOM 2839 O PRO 180 40.431 52.892 9.832 1.00 0.00 -ATOM 2840 N NME 181 41.055 52.631 9.918 1.00 0.00 -ATOM 2841 H NME 181 41.911 53.003 9.531 1.00 0.00 -ATOM 2842 C NME 181 40.789 52.841 11.330 1.00 0.00 -ATOM 2843 H1 NME 181 39.835 52.384 11.592 1.00 0.00 -ATOM 2844 H2 NME 181 41.584 52.387 11.921 1.00 0.00 -ATOM 2845 H3 NME 181 40.748 53.910 11.537 1.00 0.00 -TER -ATOM 2846 N GLU 182 54.952 44.332 4.353 1.00 0.00 -ATOM 2847 H1 GLU 182 54.175 44.331 4.998 1.00 0.00 -ATOM 2848 H2 GLU 182 54.643 43.949 3.471 1.00 0.00 -ATOM 2849 H3 GLU 182 55.396 45.239 4.382 1.00 0.00 -ATOM 2850 CA GLU 182 55.966 43.385 4.855 1.00 0.00 -ATOM 2851 HA GLU 182 56.138 42.603 4.115 1.00 0.00 -ATOM 2852 CB GLU 182 57.299 44.110 5.125 1.00 0.00 -ATOM 2853 HB2 GLU 182 57.105 44.902 5.849 1.00 0.00 -ATOM 2854 HB3 GLU 182 57.989 43.385 5.557 1.00 0.00 -ATOM 2855 CG GLU 182 57.923 44.718 3.855 1.00 0.00 -ATOM 2856 HG2 GLU 182 58.070 43.918 3.130 1.00 0.00 -ATOM 2857 HG3 GLU 182 57.226 45.451 3.450 1.00 0.00 -ATOM 2858 CD GLU 182 59.261 45.394 4.145 1.00 0.00 -ATOM 2859 OE1 GLU 182 59.241 46.392 4.897 1.00 0.00 -ATOM 2860 OE2 GLU 182 60.277 44.900 3.610 1.00 0.00 -ATOM 2861 C GLU 182 55.466 42.660 6.112 1.00 0.00 -ATOM 2862 O GLU 182 54.522 43.112 6.763 1.00 0.00 -ATOM 2863 N ARG 183 56.115 41.532 6.448 1.00 0.00 -ATOM 2864 H ARG 183 56.880 41.261 5.847 1.00 0.00 -ATOM 2865 CA ARG 183 55.815 40.694 7.610 1.00 0.00 -ATOM 2866 HA ARG 183 54.749 40.478 7.677 1.00 0.00 -ATOM 2867 CB ARG 183 56.580 39.360 7.433 1.00 0.00 -ATOM 2868 HB2 ARG 183 56.299 38.967 6.456 1.00 0.00 -ATOM 2869 HB3 ARG 183 57.642 39.607 7.433 1.00 0.00 -ATOM 2870 CG ARG 183 56.300 38.297 8.515 1.00 0.00 -ATOM 2871 HG2 ARG 183 56.401 38.773 9.490 1.00 0.00 -ATOM 2872 HG3 ARG 183 55.276 37.947 8.387 1.00 0.00 -ATOM 2873 CD ARG 183 57.262 37.106 8.426 1.00 0.00 -ATOM 2874 HD2 ARG 183 57.140 36.619 7.459 1.00 0.00 -ATOM 2875 HD3 ARG 183 58.286 37.465 8.524 1.00 0.00 -ATOM 2876 NE ARG 183 57.005 36.120 9.486 1.00 0.00 -ATOM 2877 HE ARG 183 56.320 35.416 9.250 1.00 0.00 -ATOM 2878 CZ ARG 183 57.583 36.072 10.698 1.00 0.00 -ATOM 2879 NH1 ARG 183 58.419 37.034 11.115 1.00 0.00 -ATOM 2880 HH11 ARG 183 58.625 37.817 10.511 1.00 0.00 -ATOM 2881 HH12 ARG 183 58.839 36.971 12.031 1.00 0.00 -ATOM 2882 NH2 ARG 183 57.315 35.042 11.509 1.00 0.00 -ATOM 2883 HH21 ARG 183 56.684 34.314 11.204 1.00 0.00 -ATOM 2884 HH22 ARG 183 57.745 34.997 12.422 1.00 0.00 -ATOM 2885 C ARG 183 56.297 41.398 8.902 1.00 0.00 -ATOM 2886 O ARG 183 57.437 41.866 8.928 1.00 0.00 -ATOM 2887 N PRO 184 55.482 41.450 9.981 1.00 0.00 -ATOM 2888 CD PRO 184 54.094 40.979 10.035 1.00 0.00 -ATOM 2889 HD2 PRO 184 54.082 39.929 9.741 1.00 0.00 -ATOM 2890 HD3 PRO 184 53.512 41.562 9.321 1.00 0.00 -ATOM 2891 CG PRO 184 53.630 41.191 11.478 1.00 0.00 -ATOM 2892 HG2 PRO 184 53.720 40.267 12.048 1.00 0.00 -ATOM 2893 HG3 PRO 184 52.595 41.532 11.501 1.00 0.00 -ATOM 2894 CB PRO 184 54.567 42.264 12.009 1.00 0.00 -ATOM 2895 HB2 PRO 184 54.702 42.108 13.079 1.00 0.00 -ATOM 2896 HB3 PRO 184 54.229 43.285 11.831 1.00 0.00 -ATOM 2897 CA PRO 184 55.892 42.016 11.275 1.00 0.00 -ATOM 2898 HA PRO 184 56.449 42.935 11.090 1.00 0.00 -ATOM 2899 C PRO 184 56.774 41.033 12.066 1.00 0.00 -ATOM 2900 O PRO 184 56.860 39.852 11.730 1.00 0.00 -ATOM 2901 N THR 185 57.416 41.522 13.136 1.00 0.00 -ATOM 2902 H THR 185 57.362 42.516 13.306 1.00 0.00 -ATOM 2903 CA THR 185 58.183 40.699 14.070 1.00 0.00 -ATOM 2904 HA THR 185 58.709 39.917 13.522 1.00 0.00 -ATOM 2905 CB THR 185 59.227 41.589 14.786 1.00 0.00 -ATOM 2906 HB THR 185 58.683 42.420 15.235 1.00 0.00 -ATOM 2907 CG2 THR 185 60.042 40.863 15.872 1.00 0.00 -ATOM 2908 HG21 THR 185 60.586 40.032 15.424 1.00 0.00 -ATOM 2909 HG22 THR 185 60.749 41.559 16.323 1.00 0.00 -ATOM 2910 HG23 THR 185 59.368 40.483 16.640 1.00 0.00 -ATOM 2911 OG1 THR 185 60.153 42.051 13.821 1.00 0.00 -ATOM 2912 HG1 THR 185 60.810 42.606 14.248 1.00 0.00 -ATOM 2913 C THR 185 57.195 40.106 15.089 1.00 0.00 -ATOM 2914 O THR 185 56.357 40.820 15.641 1.00 0.00 -ATOM 2915 N PHE 186 57.303 38.788 15.301 1.00 0.00 -ATOM 2916 H PHE 186 58.047 38.328 14.796 1.00 0.00 -ATOM 2917 CA PHE 186 56.486 37.990 16.209 1.00 0.00 -ATOM 2918 HA PHE 186 55.550 38.500 16.435 1.00 0.00 -ATOM 2919 CB PHE 186 56.161 36.643 15.525 1.00 0.00 -ATOM 2920 HB2 PHE 186 57.068 36.212 15.101 1.00 0.00 -ATOM 2921 HB3 PHE 186 55.752 35.963 16.272 1.00 0.00 -ATOM 2922 CG PHE 186 55.144 36.712 14.396 1.00 0.00 -ATOM 2923 CD1 PHE 186 55.486 37.297 13.159 1.00 0.00 -ATOM 2924 HD1 PHE 186 56.492 37.690 13.014 1.00 0.00 -ATOM 2925 CE1 PHE 186 54.543 37.376 12.117 1.00 0.00 -ATOM 2926 HE1 PHE 186 54.812 37.843 11.170 1.00 0.00 -ATOM 2927 CZ PHE 186 53.251 36.851 12.300 1.00 0.00 -ATOM 2928 HZ PHE 186 52.512 36.919 11.502 1.00 0.00 -ATOM 2929 CE2 PHE 186 52.914 36.236 13.520 1.00 0.00 -ATOM 2930 HE2 PHE 186 51.921 35.806 13.652 1.00 0.00 -ATOM 2931 CD2 PHE 186 53.852 36.175 14.567 1.00 0.00 -ATOM 2932 HD2 PHE 186 53.581 35.711 15.515 1.00 0.00 -ATOM 2933 C PHE 186 57.273 37.689 17.495 1.00 0.00 -ATOM 2934 O PHE 186 58.505 37.652 17.482 1.00 0.00 -ATOM 2935 N TYR 187 56.541 37.430 18.590 1.00 0.00 -ATOM 2936 H TYR 187 55.559 37.657 18.518 1.00 0.00 -ATOM 2937 CA TYR 187 57.063 37.017 19.891 1.00 0.00 -ATOM 2938 HA TYR 187 58.017 36.507 19.755 1.00 0.00 -ATOM 2939 CB TYR 187 57.282 38.236 20.817 1.00 0.00 -ATOM 2940 HB2 TYR 187 57.999 37.901 21.566 1.00 0.00 -ATOM 2941 HB3 TYR 187 57.730 39.025 20.213 1.00 0.00 -ATOM 2942 CG TYR 187 56.038 38.773 21.510 1.00 0.00 -ATOM 2943 CD1 TYR 187 55.756 38.386 22.838 1.00 0.00 -ATOM 2944 HD1 TYR 187 56.442 37.724 23.365 1.00 0.00 -ATOM 2945 CE1 TYR 187 54.594 38.852 23.481 1.00 0.00 -ATOM 2946 HE1 TYR 187 54.378 38.550 24.506 1.00 0.00 -ATOM 2947 CZ TYR 187 53.710 39.709 22.799 1.00 0.00 -ATOM 2948 OH TYR 187 52.589 40.158 23.430 1.00 0.00 -ATOM 2949 HH TYR 187 52.506 39.828 24.328 1.00 0.00 -ATOM 2950 CE2 TYR 187 53.987 40.097 21.472 1.00 0.00 -ATOM 2951 HE2 TYR 187 53.300 40.758 20.944 1.00 0.00 -ATOM 2952 CD2 TYR 187 55.150 39.631 20.829 1.00 0.00 -ATOM 2953 HD2 TYR 187 55.364 39.933 19.804 1.00 0.00 -ATOM 2954 C TYR 187 56.185 35.910 20.492 1.00 0.00 -ATOM 2955 O TYR 187 54.961 35.953 20.364 1.00 0.00 -ATOM 2956 N ARG 188 56.821 34.935 21.159 1.00 0.00 -ATOM 2957 H ARG 188 57.825 35.023 21.231 1.00 0.00 -ATOM 2958 CA ARG 188 56.178 33.788 21.798 1.00 0.00 -ATOM 2959 HA ARG 188 55.267 33.510 21.268 1.00 0.00 -ATOM 2960 CB ARG 188 57.154 32.596 21.759 1.00 0.00 -ATOM 2961 HB2 ARG 188 58.133 32.946 22.088 1.00 0.00 -ATOM 2962 HB3 ARG 188 56.790 31.835 22.449 1.00 0.00 -ATOM 2963 CG ARG 188 57.272 31.995 20.351 1.00 0.00 -ATOM 2964 HG2 ARG 188 56.268 31.732 20.018 1.00 0.00 -ATOM 2965 HG3 ARG 188 57.681 32.764 19.696 1.00 0.00 -ATOM 2966 CD ARG 188 58.168 30.753 20.301 1.00 0.00 -ATOM 2967 HD2 ARG 188 59.214 31.054 20.239 1.00 0.00 -ATOM 2968 HD3 ARG 188 58.016 30.151 21.197 1.00 0.00 -ATOM 2969 NE ARG 188 57.843 29.936 19.124 1.00 0.00 -ATOM 2970 HE ARG 188 57.508 30.458 18.327 1.00 0.00 -ATOM 2971 CZ ARG 188 57.952 28.602 19.017 1.00 0.00 -ATOM 2972 NH1 ARG 188 58.413 27.847 20.024 1.00 0.00 -ATOM 2973 HH11 ARG 188 58.689 28.283 20.892 1.00 0.00 -ATOM 2974 HH12 ARG 188 58.482 26.846 19.910 1.00 0.00 -ATOM 2975 NH2 ARG 188 57.584 28.017 17.872 1.00 0.00 -ATOM 2976 HH21 ARG 188 57.233 28.580 17.111 1.00 0.00 -ATOM 2977 HH22 ARG 188 57.659 27.015 17.774 1.00 0.00 -ATOM 2978 C ARG 188 55.843 34.083 23.268 1.00 0.00 -ATOM 2979 O ARG 188 56.593 34.767 23.966 1.00 0.00 -ATOM 2980 N GLN 189 54.710 33.527 23.721 1.00 0.00 -ATOM 2981 H GLN 189 54.168 33.042 23.020 1.00 0.00 -ATOM 2982 CA GLN 189 54.163 33.629 25.070 1.00 0.00 -ATOM 2983 HA GLN 189 54.960 33.560 25.811 1.00 0.00 -ATOM 2984 CB GLN 189 53.457 34.996 25.229 1.00 0.00 -ATOM 2985 HB2 GLN 189 54.215 35.761 25.063 1.00 0.00 -ATOM 2986 HB3 GLN 189 52.705 35.053 24.442 1.00 0.00 -ATOM 2987 CG GLN 189 52.785 35.227 26.600 1.00 0.00 -ATOM 2988 HG2 GLN 189 52.089 34.410 26.787 1.00 0.00 -ATOM 2989 HG3 GLN 189 53.560 35.226 27.366 1.00 0.00 -ATOM 2990 CD GLN 189 52.018 36.552 26.681 1.00 0.00 -ATOM 2991 OE1 GLN 189 51.881 37.277 25.697 1.00 0.00 -ATOM 2992 NE2 GLN 189 51.507 36.873 27.870 1.00 0.00 -ATOM 2993 HE21 GLN 189 50.992 37.735 27.979 1.00 0.00 -ATOM 2994 HE22 GLN 189 51.637 36.253 28.656 1.00 0.00 -ATOM 2995 C GLN 189 53.239 32.428 25.313 1.00 0.00 -ATOM 2996 O GLN 189 52.275 32.253 24.568 1.00 0.00 -ATOM 2997 N GLU 190 53.497 31.624 26.360 1.00 0.00 -ATOM 2998 H GLU 190 54.359 31.756 26.870 1.00 0.00 -ATOM 2999 CA GLU 190 52.617 30.523 26.757 1.00 0.00 -ATOM 3000 HA GLU 190 52.158 30.079 25.874 1.00 0.00 -ATOM 3001 CB GLU 190 53.421 29.432 27.496 1.00 0.00 -ATOM 3002 HB2 GLU 190 54.183 29.065 26.809 1.00 0.00 -ATOM 3003 HB3 GLU 190 53.902 29.904 28.353 1.00 0.00 -ATOM 3004 CG GLU 190 52.549 28.246 27.982 1.00 0.00 -ATOM 3005 HG2 GLU 190 52.069 28.574 28.904 1.00 0.00 -ATOM 3006 HG3 GLU 190 51.790 28.077 27.219 1.00 0.00 -ATOM 3007 CD GLU 190 53.313 26.944 28.239 1.00 0.00 -ATOM 3008 OE1 GLU 190 52.618 25.911 28.356 1.00 0.00 -ATOM 3009 OE2 GLU 190 54.560 26.992 28.321 1.00 0.00 -ATOM 3010 C GLU 190 51.469 31.055 27.633 1.00 0.00 -ATOM 3011 O GLU 190 51.699 31.850 28.545 1.00 0.00 -ATOM 3012 N LEU 191 50.236 30.617 27.325 1.00 0.00 -ATOM 3013 H LEU 191 50.192 29.981 26.541 1.00 0.00 -ATOM 3014 CA LEU 191 48.979 31.100 27.898 1.00 0.00 -ATOM 3015 HA LEU 191 49.178 31.623 28.834 1.00 0.00 -ATOM 3016 CB LEU 191 48.274 32.079 26.924 1.00 0.00 -ATOM 3017 HB2 LEU 191 48.287 31.548 25.972 1.00 0.00 -ATOM 3018 HB3 LEU 191 47.242 32.246 27.232 1.00 0.00 -ATOM 3019 CG LEU 191 48.991 33.440 26.764 1.00 0.00 -ATOM 3020 HG LEU 191 50.065 33.276 26.847 1.00 0.00 -ATOM 3021 CD1 LEU 191 48.677 34.086 25.413 1.00 0.00 -ATOM 3022 HD11 LEU 191 47.603 34.251 25.330 1.00 0.00 -ATOM 3023 HD12 LEU 191 49.198 35.040 25.336 1.00 0.00 -ATOM 3024 HD13 LEU 191 49.006 33.427 24.609 1.00 0.00 -ATOM 3025 CD2 LEU 191 48.663 34.411 27.905 1.00 0.00 -ATOM 3026 HD21 LEU 191 48.975 33.976 28.854 1.00 0.00 -ATOM 3027 HD22 LEU 191 49.191 35.351 27.746 1.00 0.00 -ATOM 3028 HD23 LEU 191 47.589 34.597 27.927 1.00 0.00 -ATOM 3029 C LEU 191 48.123 29.916 28.365 1.00 0.00 -ATOM 3030 O LEU 191 48.275 29.470 29.503 1.00 0.00 -ATOM 3031 N ASN 192 47.231 29.403 27.500 1.00 0.00 -ATOM 3032 H ASN 192 47.221 29.815 26.578 1.00 0.00 -ATOM 3033 CA ASN 192 46.275 28.324 27.792 1.00 0.00 -ATOM 3034 HA ASN 192 45.960 28.364 28.835 1.00 0.00 -ATOM 3035 CB ASN 192 45.024 28.498 26.888 1.00 0.00 -ATOM 3036 HB2 ASN 192 45.328 28.451 25.842 1.00 0.00 -ATOM 3037 HB3 ASN 192 44.352 27.669 27.108 1.00 0.00 -ATOM 3038 CG ASN 192 44.273 29.811 27.121 1.00 0.00 -ATOM 3039 OD1 ASN 192 44.461 30.777 26.386 1.00 0.00 -ATOM 3040 ND2 ASN 192 43.400 29.839 28.129 1.00 0.00 -ATOM 3041 HD21 ASN 192 42.881 30.684 28.320 1.00 0.00 -ATOM 3042 HD22 ASN 192 43.262 29.015 28.696 1.00 0.00 -ATOM 3043 C ASN 192 46.909 26.936 27.542 1.00 0.00 -ATOM 3044 O ASN 192 46.367 26.124 26.791 1.00 0.00 -ATOM 3045 N LYS 193 48.089 26.681 28.144 1.00 0.00 -ATOM 3046 H LYS 193 48.479 27.478 28.627 1.00 0.00 -ATOM 3047 CA LYS 193 48.914 25.464 28.024 1.00 0.00 -ATOM 3048 HA LYS 193 49.814 25.588 28.626 1.00 0.00 -ATOM 3049 CB LYS 193 48.167 24.193 28.505 1.00 0.00 -ATOM 3050 HB2 LYS 193 47.277 24.088 27.885 1.00 0.00 -ATOM 3051 HB3 LYS 193 48.830 23.345 28.335 1.00 0.00 -ATOM 3052 CG LYS 193 47.757 24.233 29.986 1.00 0.00 -ATOM 3053 HG2 LYS 193 48.657 24.373 30.585 1.00 0.00 -ATOM 3054 HG3 LYS 193 47.088 25.081 30.132 1.00 0.00 -ATOM 3055 CD LYS 193 47.047 22.940 30.422 1.00 0.00 -ATOM 3056 HD2 LYS 193 46.155 22.833 29.805 1.00 0.00 -ATOM 3057 HD3 LYS 193 47.727 22.111 30.224 1.00 0.00 -ATOM 3058 CE LYS 193 46.647 22.930 31.905 1.00 0.00 -ATOM 3059 HE2 LYS 193 46.121 23.859 32.125 1.00 0.00 -ATOM 3060 HE3 LYS 193 45.979 22.086 32.075 1.00 0.00 -ATOM 3061 NZ LYS 193 47.822 22.811 32.785 1.00 0.00 -ATOM 3062 HZ1 LYS 193 48.441 23.594 32.628 1.00 0.00 -ATOM 3063 HZ2 LYS 193 47.521 22.808 33.749 1.00 0.00 -ATOM 3064 HZ3 LYS 193 48.309 21.950 32.581 1.00 0.00 -ATOM 3065 C LYS 193 49.530 25.301 26.617 1.00 0.00 -ATOM 3066 O LYS 193 49.904 24.199 26.216 1.00 0.00 -ATOM 3067 N THR 194 49.580 26.403 25.854 1.00 0.00 -ATOM 3068 H THR 194 49.331 27.253 26.340 1.00 0.00 -ATOM 3069 CA THR 194 49.893 26.486 24.433 1.00 0.00 -ATOM 3070 HA THR 194 50.477 25.622 24.114 1.00 0.00 -ATOM 3071 CB THR 194 48.565 26.510 23.631 1.00 0.00 -ATOM 3072 HB THR 194 47.945 27.291 24.071 1.00 0.00 -ATOM 3073 CG2 THR 194 48.727 26.773 22.125 1.00 0.00 -ATOM 3074 HG21 THR 194 49.346 25.992 21.684 1.00 0.00 -ATOM 3075 HG22 THR 194 47.747 26.772 21.648 1.00 0.00 -ATOM 3076 HG23 THR 194 49.203 27.742 21.974 1.00 0.00 -ATOM 3077 OG1 THR 194 47.901 25.267 23.753 1.00 0.00 -ATOM 3078 HG1 THR 194 47.081 25.292 23.254 1.00 0.00 -ATOM 3079 C THR 194 50.745 27.741 24.225 1.00 0.00 -ATOM 3080 O THR 194 50.432 28.785 24.798 1.00 0.00 -ATOM 3081 N ILE 195 51.783 27.646 23.378 1.00 0.00 -ATOM 3082 H ILE 195 51.971 26.731 22.993 1.00 0.00 -ATOM 3083 CA ILE 195 52.650 28.756 22.983 1.00 0.00 -ATOM 3084 HA ILE 195 52.828 29.455 23.800 1.00 0.00 -ATOM 3085 CB ILE 195 54.013 28.203 22.466 1.00 0.00 -ATOM 3086 HB ILE 195 53.812 27.496 21.661 1.00 0.00 -ATOM 3087 CG2 ILE 195 54.934 29.332 21.943 1.00 0.00 -ATOM 3088 HG21 ILE 195 55.136 30.039 22.748 1.00 0.00 -ATOM 3089 HG22 ILE 195 55.873 28.903 21.593 1.00 0.00 -ATOM 3090 HG23 ILE 195 54.442 29.851 21.120 1.00 0.00 -ATOM 3091 CG1 ILE 195 54.742 27.383 23.561 1.00 0.00 -ATOM 3092 HG12 ILE 195 55.076 28.090 24.321 1.00 0.00 -ATOM 3093 HG13 ILE 195 54.007 26.705 23.995 1.00 0.00 -ATOM 3094 CD1 ILE 195 55.944 26.576 23.049 1.00 0.00 -ATOM 3095 HD11 ILE 195 56.679 27.254 22.615 1.00 0.00 -ATOM 3096 HD12 ILE 195 56.397 26.032 23.878 1.00 0.00 -ATOM 3097 HD13 ILE 195 55.611 25.869 22.290 1.00 0.00 -ATOM 3098 C ILE 195 51.925 29.531 21.870 1.00 0.00 -ATOM 3099 O ILE 195 51.736 29.015 20.768 1.00 0.00 -ATOM 3100 N TRP 196 51.528 30.773 22.175 1.00 0.00 -ATOM 3101 H TRP 196 51.694 31.084 23.122 1.00 0.00 -ATOM 3102 CA TRP 196 50.930 31.711 21.235 1.00 0.00 -ATOM 3103 HA TRP 196 50.426 31.170 20.435 1.00 0.00 -ATOM 3104 CB TRP 196 49.895 32.592 21.962 1.00 0.00 -ATOM 3105 HB2 TRP 196 50.332 32.911 22.909 1.00 0.00 -ATOM 3106 HB3 TRP 196 49.677 33.467 21.350 1.00 0.00 -ATOM 3107 CG TRP 196 48.575 31.957 22.290 1.00 0.00 -ATOM 3108 CD1 TRP 196 48.382 30.724 22.813 1.00 0.00 -ATOM 3109 HD1 TRP 196 49.270 30.127 23.019 1.00 0.00 -ATOM 3110 NE1 TRP 196 47.035 30.490 22.976 1.00 0.00 -ATOM 3111 HE1 TRP 196 46.668 29.626 23.350 1.00 0.00 -ATOM 3112 CE2 TRP 196 46.282 31.565 22.561 1.00 0.00 -ATOM 3113 CZ2 TRP 196 44.901 31.812 22.525 1.00 0.00 -ATOM 3114 HZ2 TRP 196 44.252 31.026 22.911 1.00 0.00 -ATOM 3115 CH2 TRP 196 44.436 33.030 22.006 1.00 0.00 -ATOM 3116 HH2 TRP 196 43.370 33.252 21.958 1.00 0.00 -ATOM 3117 CZ3 TRP 196 45.355 33.988 21.537 1.00 0.00 -ATOM 3118 HZ3 TRP 196 45.023 34.942 21.127 1.00 0.00 -ATOM 3119 CE3 TRP 196 46.739 33.735 21.586 1.00 0.00 -ATOM 3120 HE3 TRP 196 47.381 34.527 21.201 1.00 0.00 -ATOM 3121 CD2 TRP 196 47.242 32.518 22.102 1.00 0.00 -ATOM 3122 C TRP 196 52.047 32.619 20.715 1.00 0.00 -ATOM 3123 O TRP 196 52.647 33.368 21.487 1.00 0.00 -ATOM 3124 N GLU 197 52.309 32.549 19.403 1.00 0.00 -ATOM 3125 H GLU 197 51.817 31.843 18.874 1.00 0.00 -ATOM 3126 CA GLU 197 53.279 33.381 18.708 1.00 0.00 -ATOM 3127 HA GLU 197 53.918 33.902 19.422 1.00 0.00 -ATOM 3128 CB GLU 197 54.163 32.484 17.819 1.00 0.00 -ATOM 3129 HB2 GLU 197 54.573 31.690 18.443 1.00 0.00 -ATOM 3130 HB3 GLU 197 53.531 32.048 17.045 1.00 0.00 -ATOM 3131 CG GLU 197 55.317 33.267 17.160 1.00 0.00 -ATOM 3132 HG2 GLU 197 54.877 33.901 16.391 1.00 0.00 -ATOM 3133 HG3 GLU 197 55.742 33.891 17.946 1.00 0.00 -ATOM 3134 CD GLU 197 56.419 32.406 16.541 1.00 0.00 -ATOM 3135 OE1 GLU 197 57.139 32.963 15.685 1.00 0.00 -ATOM 3136 OE2 GLU 197 56.546 31.222 16.928 1.00 0.00 -ATOM 3137 C GLU 197 52.498 34.425 17.900 1.00 0.00 -ATOM 3138 O GLU 197 51.828 34.083 16.924 1.00 0.00 -ATOM 3139 N VAL 198 52.563 35.689 18.352 1.00 0.00 -ATOM 3140 H VAL 198 53.170 35.836 19.146 1.00 0.00 -ATOM 3141 CA VAL 198 51.756 36.817 17.875 1.00 0.00 -ATOM 3142 HA VAL 198 51.287 36.666 16.903 1.00 0.00 -ATOM 3143 CB VAL 198 50.649 37.173 18.912 1.00 0.00 -ATOM 3144 HB VAL 198 50.040 37.972 18.491 1.00 0.00 -ATOM 3145 CG1 VAL 198 49.750 35.969 19.256 1.00 0.00 -ATOM 3146 HG11 VAL 198 50.359 35.169 19.678 1.00 0.00 -ATOM 3147 HG12 VAL 198 48.997 36.273 19.982 1.00 0.00 -ATOM 3148 HG13 VAL 198 49.258 35.612 18.351 1.00 0.00 -ATOM 3149 CG2 VAL 198 51.181 37.820 20.208 1.00 0.00 -ATOM 3150 HG21 VAL 198 51.701 38.747 19.965 1.00 0.00 -ATOM 3151 HG22 VAL 198 50.347 38.036 20.876 1.00 0.00 -ATOM 3152 HG23 VAL 198 51.871 37.135 20.700 1.00 0.00 -ATOM 3153 C VAL 198 52.657 38.018 17.522 1.00 0.00 -ATOM 3154 O VAL 198 53.682 38.192 18.183 1.00 0.00 -ATOM 3155 N PRO 199 52.289 38.871 16.532 1.00 0.00 -ATOM 3156 CD PRO 199 51.215 38.618 15.571 1.00 0.00 -ATOM 3157 HD2 PRO 199 50.271 38.649 16.115 1.00 0.00 -ATOM 3158 HD3 PRO 199 51.366 37.619 15.162 1.00 0.00 -ATOM 3159 CG PRO 199 51.311 39.703 14.504 1.00 0.00 -ATOM 3160 HG2 PRO 199 50.313 40.020 14.200 1.00 0.00 -ATOM 3161 HG3 PRO 199 51.853 39.328 13.635 1.00 0.00 -ATOM 3162 CB PRO 199 52.070 40.829 15.169 1.00 0.00 -ATOM 3163 HB2 PRO 199 51.380 41.526 15.644 1.00 0.00 -ATOM 3164 HB3 PRO 199 52.695 41.367 14.456 1.00 0.00 -ATOM 3165 CA PRO 199 52.950 40.156 16.235 1.00 0.00 -ATOM 3166 HA PRO 199 53.943 39.930 15.846 1.00 0.00 -ATOM 3167 C PRO 199 53.078 41.083 17.463 1.00 0.00 -ATOM 3168 O PRO 199 52.198 41.090 18.326 1.00 0.00 -ATOM 3169 N GLU 200 54.156 41.883 17.507 1.00 0.00 -ATOM 3170 H GLU 200 54.790 41.781 16.727 1.00 0.00 -ATOM 3171 CA GLU 200 54.513 42.827 18.577 1.00 0.00 -ATOM 3172 HA GLU 200 54.656 42.301 19.521 1.00 0.00 -ATOM 3173 CB GLU 200 55.831 43.530 18.201 1.00 0.00 -ATOM 3174 HB2 GLU 200 55.771 43.783 17.143 1.00 0.00 -ATOM 3175 HB3 GLU 200 55.888 44.445 18.790 1.00 0.00 -ATOM 3176 CG GLU 200 57.087 42.678 18.454 1.00 0.00 -ATOM 3177 HG2 GLU 200 57.126 42.471 19.523 1.00 0.00 -ATOM 3178 HG3 GLU 200 56.989 41.741 17.906 1.00 0.00 -ATOM 3179 CD GLU 200 58.374 43.387 18.025 1.00 0.00 -ATOM 3180 OE1 GLU 200 58.307 44.213 17.087 1.00 0.00 -ATOM 3181 OE2 GLU 200 59.418 43.076 18.636 1.00 0.00 -ATOM 3182 C GLU 200 53.459 43.903 18.898 1.00 0.00 -ATOM 3183 O GLU 200 53.516 44.477 19.985 1.00 0.00 -ATOM 3184 N ARG 201 52.506 44.179 17.991 1.00 0.00 -ATOM 3185 H ARG 201 52.572 43.719 17.094 1.00 0.00 -ATOM 3186 CA ARG 201 51.424 45.143 18.199 1.00 0.00 -ATOM 3187 HA ARG 201 51.822 46.086 18.573 1.00 0.00 -ATOM 3188 CB ARG 201 50.710 45.407 16.855 1.00 0.00 -ATOM 3189 HB2 ARG 201 50.044 46.253 17.022 1.00 0.00 -ATOM 3190 HB3 ARG 201 51.487 45.691 16.145 1.00 0.00 -ATOM 3191 CG ARG 201 49.904 44.224 16.288 1.00 0.00 -ATOM 3192 HG2 ARG 201 50.542 43.342 16.340 1.00 0.00 -ATOM 3193 HG3 ARG 201 49.036 44.083 16.933 1.00 0.00 -ATOM 3194 CD ARG 201 49.438 44.432 14.843 1.00 0.00 -ATOM 3195 HD2 ARG 201 50.200 44.983 14.293 1.00 0.00 -ATOM 3196 HD3 ARG 201 49.279 43.463 14.371 1.00 0.00 -ATOM 3197 NE ARG 201 48.184 45.189 14.794 1.00 0.00 -ATOM 3198 HE ARG 201 47.845 45.532 15.681 1.00 0.00 -ATOM 3199 CZ ARG 201 47.468 45.451 13.691 1.00 0.00 -ATOM 3200 NH1 ARG 201 47.874 45.038 12.484 1.00 0.00 -ATOM 3201 HH11 ARG 201 48.735 44.518 12.395 1.00 0.00 -ATOM 3202 HH12 ARG 201 47.317 45.248 11.668 1.00 0.00 -ATOM 3203 NH2 ARG 201 46.329 46.142 13.798 1.00 0.00 -ATOM 3204 HH21 ARG 201 46.018 46.460 14.705 1.00 0.00 -ATOM 3205 HH22 ARG 201 45.784 46.343 12.972 1.00 0.00 -ATOM 3206 C ARG 201 50.410 44.675 19.260 1.00 0.00 -ATOM 3207 O ARG 201 49.814 45.511 19.934 1.00 0.00 -ATOM 3208 N TYR 202 50.230 43.353 19.418 1.00 0.00 -ATOM 3209 H TYR 202 50.792 42.746 18.839 1.00 0.00 -ATOM 3210 CA TYR 202 49.307 42.743 20.368 1.00 0.00 -ATOM 3211 HA TYR 202 48.448 43.391 20.542 1.00 0.00 -ATOM 3212 CB TYR 202 48.806 41.406 19.779 1.00 0.00 -ATOM 3213 HB2 TYR 202 49.709 40.830 19.574 1.00 0.00 -ATOM 3214 HB3 TYR 202 48.187 40.868 20.497 1.00 0.00 -ATOM 3215 CG TYR 202 48.030 41.604 18.491 1.00 0.00 -ATOM 3216 CD1 TYR 202 48.511 41.065 17.279 1.00 0.00 -ATOM 3217 HD1 TYR 202 49.396 40.428 17.279 1.00 0.00 -ATOM 3218 CE1 TYR 202 47.849 41.349 16.070 1.00 0.00 -ATOM 3219 HE1 TYR 202 48.205 40.915 15.136 1.00 0.00 -ATOM 3220 CZ TYR 202 46.710 42.178 16.073 1.00 0.00 -ATOM 3221 OH TYR 202 46.092 42.511 14.908 1.00 0.00 -ATOM 3222 HH TYR 202 46.514 42.127 14.136 1.00 0.00 -ATOM 3223 CE2 TYR 202 46.212 42.690 17.283 1.00 0.00 -ATOM 3224 HE2 TYR 202 45.318 43.314 17.283 1.00 0.00 -ATOM 3225 CD2 TYR 202 46.865 42.398 18.492 1.00 0.00 -ATOM 3226 HD2 TYR 202 46.471 42.785 19.432 1.00 0.00 -ATOM 3227 C TYR 202 50.078 42.488 21.663 1.00 0.00 -ATOM 3228 O TYR 202 50.924 41.598 21.728 1.00 0.00 -ATOM 3229 N GLN 203 49.789 43.315 22.675 1.00 0.00 -ATOM 3230 H GLN 203 49.070 43.998 22.484 1.00 0.00 -ATOM 3231 CA GLN 203 50.413 43.319 23.991 1.00 0.00 -ATOM 3232 HA GLN 203 51.185 42.552 24.052 1.00 0.00 -ATOM 3233 CB GLN 203 51.068 44.700 24.229 1.00 0.00 -ATOM 3234 HB2 GLN 203 50.311 45.455 24.015 1.00 0.00 -ATOM 3235 HB3 GLN 203 51.340 44.748 25.283 1.00 0.00 -ATOM 3236 CG GLN 203 52.317 44.964 23.363 1.00 0.00 -ATOM 3237 HG2 GLN 203 52.050 44.836 22.314 1.00 0.00 -ATOM 3238 HG3 GLN 203 52.633 45.993 23.535 1.00 0.00 -ATOM 3239 CD GLN 203 53.490 44.031 23.687 1.00 0.00 -ATOM 3240 OE1 GLN 203 53.738 43.709 24.847 1.00 0.00 -ATOM 3241 NE2 GLN 203 54.214 43.581 22.662 1.00 0.00 -ATOM 3242 HE21 GLN 203 54.995 42.964 22.832 1.00 0.00 -ATOM 3243 HE22 GLN 203 53.978 43.859 21.720 1.00 0.00 -ATOM 3244 C GLN 203 49.353 43.049 25.060 1.00 0.00 -ATOM 3245 O GLN 203 48.189 43.410 24.896 1.00 0.00 -ATOM 3246 N ASN 204 49.778 42.429 26.171 1.00 0.00 -ATOM 3247 H ASN 204 50.656 41.941 26.067 1.00 0.00 -ATOM 3248 CA ASN 204 49.007 42.219 27.400 1.00 0.00 -ATOM 3249 HA ASN 204 49.662 41.757 28.139 1.00 0.00 -ATOM 3250 CB ASN 204 48.425 43.533 28.002 1.00 0.00 -ATOM 3251 HB2 ASN 204 47.607 43.876 27.369 1.00 0.00 -ATOM 3252 HB3 ASN 204 48.040 43.286 28.991 1.00 0.00 -ATOM 3253 CG ASN 204 49.445 44.669 28.143 1.00 0.00 -ATOM 3254 OD1 ASN 204 49.353 45.675 27.443 1.00 0.00 -ATOM 3255 ND2 ASN 204 50.404 44.527 29.060 1.00 0.00 -ATOM 3256 HD21 ASN 204 51.094 45.255 29.182 1.00 0.00 -ATOM 3257 HD22 ASN 204 50.436 43.693 29.628 1.00 0.00 -ATOM 3258 C ASN 204 47.974 41.087 27.247 1.00 0.00 -ATOM 3259 O ASN 204 46.836 41.230 27.695 1.00 0.00 -ATOM 3260 N LEU 205 48.363 39.976 26.593 1.00 0.00 -ATOM 3261 H LEU 205 49.311 39.970 26.245 1.00 0.00 -ATOM 3262 CA LEU 205 47.518 38.807 26.328 1.00 0.00 -ATOM 3263 HA LEU 205 46.602 39.120 25.827 1.00 0.00 -ATOM 3264 CB LEU 205 48.257 37.796 25.420 1.00 0.00 -ATOM 3265 HB2 LEU 205 49.287 37.861 25.770 1.00 0.00 -ATOM 3266 HB3 LEU 205 47.874 36.792 25.604 1.00 0.00 -ATOM 3267 CG LEU 205 48.208 38.095 23.906 1.00 0.00 -ATOM 3268 HG LEU 205 47.163 38.243 23.633 1.00 0.00 -ATOM 3269 CD1 LEU 205 49.022 39.337 23.507 1.00 0.00 -ATOM 3270 HD11 LEU 205 50.067 39.190 23.779 1.00 0.00 -ATOM 3271 HD12 LEU 205 48.946 39.492 22.431 1.00 0.00 -ATOM 3272 HD13 LEU 205 48.631 40.211 24.028 1.00 0.00 -ATOM 3273 CD2 LEU 205 48.671 36.874 23.096 1.00 0.00 -ATOM 3274 HD21 LEU 205 48.018 36.027 23.309 1.00 0.00 -ATOM 3275 HD22 LEU 205 48.629 37.106 22.032 1.00 0.00 -ATOM 3276 HD23 LEU 205 49.695 36.621 23.372 1.00 0.00 -ATOM 3277 C LEU 205 47.116 38.112 27.640 1.00 0.00 -ATOM 3278 O LEU 205 47.977 37.760 28.448 1.00 0.00 -ATOM 3279 N SER 206 45.802 37.932 27.831 1.00 0.00 -ATOM 3280 H SER 206 45.206 38.280 27.094 1.00 0.00 -ATOM 3281 CA SER 206 45.173 37.379 29.026 1.00 0.00 -ATOM 3282 HA SER 206 45.826 36.643 29.495 1.00 0.00 -ATOM 3283 CB SER 206 44.911 38.519 30.033 1.00 0.00 -ATOM 3284 HB2 SER 206 45.868 38.967 30.301 1.00 0.00 -ATOM 3285 HB3 SER 206 44.283 39.267 29.549 1.00 0.00 -ATOM 3286 OG SER 206 44.267 38.049 31.202 1.00 0.00 -ATOM 3287 HG SER 206 44.120 38.783 31.804 1.00 0.00 -ATOM 3288 C SER 206 43.903 36.610 28.613 1.00 0.00 -ATOM 3289 O SER 206 43.040 37.235 27.998 1.00 0.00 -ATOM 3290 N PRO 207 43.748 35.300 28.934 1.00 0.00 -ATOM 3291 CD PRO 207 44.785 34.466 29.547 1.00 0.00 -ATOM 3292 HD2 PRO 207 44.951 34.833 30.560 1.00 0.00 -ATOM 3293 HD3 PRO 207 45.697 34.587 28.963 1.00 0.00 -ATOM 3294 CG PRO 207 44.264 33.032 29.521 1.00 0.00 -ATOM 3295 HG2 PRO 207 44.555 32.508 30.431 1.00 0.00 -ATOM 3296 HG3 PRO 207 44.660 32.502 28.655 1.00 0.00 -ATOM 3297 CB PRO 207 42.759 33.178 29.424 1.00 0.00 -ATOM 3298 HB2 PRO 207 42.282 33.241 30.402 1.00 0.00 -ATOM 3299 HB3 PRO 207 42.333 32.345 28.865 1.00 0.00 -ATOM 3300 CA PRO 207 42.545 34.488 28.655 1.00 0.00 -ATOM 3301 HA PRO 207 42.535 34.307 27.580 1.00 0.00 -ATOM 3302 C PRO 207 41.209 35.124 29.080 1.00 0.00 -ATOM 3303 O PRO 207 41.126 35.740 30.143 1.00 0.00 -ATOM 3304 N VAL 208 40.170 34.932 28.252 1.00 0.00 -ATOM 3305 H VAL 208 40.419 34.592 27.334 1.00 0.00 -ATOM 3306 CA VAL 208 38.791 35.385 28.476 1.00 0.00 -ATOM 3307 HA VAL 208 38.505 35.457 29.525 1.00 0.00 -ATOM 3308 CB VAL 208 38.498 36.746 27.787 1.00 0.00 -ATOM 3309 HB VAL 208 37.424 36.926 27.840 1.00 0.00 -ATOM 3310 CG1 VAL 208 39.246 37.912 28.451 1.00 0.00 -ATOM 3311 HG11 VAL 208 40.320 37.733 28.398 1.00 0.00 -ATOM 3312 HG12 VAL 208 39.007 38.840 27.932 1.00 0.00 -ATOM 3313 HG13 VAL 208 38.943 37.992 29.495 1.00 0.00 -ATOM 3314 CG2 VAL 208 38.741 36.719 26.267 1.00 0.00 -ATOM 3315 HG21 VAL 208 38.094 35.971 25.808 1.00 0.00 -ATOM 3316 HG22 VAL 208 38.518 37.699 25.845 1.00 0.00 -ATOM 3317 HG23 VAL 208 39.783 36.467 26.070 1.00 0.00 -ATOM 3318 C VAL 208 37.745 34.287 28.208 1.00 0.00 -ATOM 3319 O VAL 208 36.548 34.570 28.241 1.00 0.00 -ATOM 3320 N GLY 209 38.187 33.039 27.986 1.00 0.00 -ATOM 3321 H GLY 209 39.186 32.922 27.892 1.00 0.00 -ATOM 3322 CA GLY 209 37.339 31.857 27.872 1.00 0.00 -ATOM 3323 HA2 GLY 209 37.650 31.139 28.630 1.00 0.00 -ATOM 3324 HA3 GLY 209 36.308 32.157 28.058 1.00 0.00 -ATOM 3325 C GLY 209 37.425 31.197 26.497 1.00 0.00 -ATOM 3326 O GLY 209 38.362 31.427 25.731 1.00 0.00 -ATOM 3327 N SER 210 36.439 30.335 26.218 1.00 0.00 -ATOM 3328 H SER 210 35.714 30.250 26.916 1.00 0.00 -ATOM 3329 CA SER 210 36.299 29.578 24.979 1.00 0.00 -ATOM 3330 HA SER 210 37.274 29.279 24.594 1.00 0.00 -ATOM 3331 CB SER 210 35.477 28.307 25.279 1.00 0.00 -ATOM 3332 HB2 SER 210 34.595 28.583 25.857 1.00 0.00 -ATOM 3333 HB3 SER 210 35.167 27.854 24.337 1.00 0.00 -ATOM 3334 OG SER 210 36.251 27.381 26.014 1.00 0.00 -ATOM 3335 HG SER 210 35.727 26.597 26.193 1.00 0.00 -ATOM 3336 C SER 210 35.503 30.393 23.949 1.00 0.00 -ATOM 3337 O SER 210 34.553 31.095 24.297 1.00 0.00 -ATOM 3338 N GLY 211 35.878 30.237 22.675 1.00 0.00 -ATOM 3339 H GLY 211 36.760 29.768 22.525 1.00 0.00 -ATOM 3340 CA GLY 211 35.126 30.683 21.510 1.00 0.00 -ATOM 3341 HA2 GLY 211 34.199 31.158 21.831 1.00 0.00 -ATOM 3342 HA3 GLY 211 35.721 31.397 20.940 1.00 0.00 -ATOM 3343 C GLY 211 34.790 29.489 20.615 1.00 0.00 -ATOM 3344 O GLY 211 35.017 28.335 20.990 1.00 0.00 -ATOM 3345 N ALA 212 34.251 29.772 19.420 1.00 0.00 -ATOM 3346 H ALA 212 34.067 30.742 19.209 1.00 0.00 -ATOM 3347 CA ALA 212 33.913 28.769 18.415 1.00 0.00 -ATOM 3348 HA ALA 212 33.392 27.912 18.842 1.00 0.00 -ATOM 3349 CB ALA 212 33.006 29.417 17.352 1.00 0.00 -ATOM 3350 HB1 ALA 212 33.518 30.271 16.909 1.00 0.00 -ATOM 3351 HB2 ALA 212 32.778 28.688 16.575 1.00 0.00 -ATOM 3352 HB3 ALA 212 32.080 29.751 17.819 1.00 0.00 -ATOM 3353 C ALA 212 35.202 28.250 17.761 1.00 0.00 -ATOM 3354 O ALA 212 35.796 28.922 16.920 1.00 0.00 -ATOM 3355 N TYR 213 35.632 27.048 18.172 1.00 0.00 -ATOM 3356 H TYR 213 35.321 26.801 19.101 1.00 0.00 -ATOM 3357 CA TYR 213 36.698 26.250 17.561 1.00 0.00 -ATOM 3358 HA TYR 213 36.682 25.252 17.998 1.00 0.00 -ATOM 3359 CB TYR 213 36.540 26.120 16.022 1.00 0.00 -ATOM 3360 HB2 TYR 213 36.833 27.088 15.615 1.00 0.00 -ATOM 3361 HB3 TYR 213 37.256 25.362 15.705 1.00 0.00 -ATOM 3362 CG TYR 213 35.147 25.752 15.510 1.00 0.00 -ATOM 3363 CD1 TYR 213 34.283 24.911 16.251 1.00 0.00 -ATOM 3364 HD1 TYR 213 34.602 24.542 17.226 1.00 0.00 -ATOM 3365 CE1 TYR 213 33.023 24.550 15.740 1.00 0.00 -ATOM 3366 HE1 TYR 213 32.363 23.906 16.321 1.00 0.00 -ATOM 3367 CZ TYR 213 32.611 25.030 14.485 1.00 0.00 -ATOM 3368 OH TYR 213 31.406 24.648 13.974 1.00 0.00 -ATOM 3369 HH TYR 213 30.925 24.053 14.553 1.00 0.00 -ATOM 3370 CE2 TYR 213 33.450 25.895 13.755 1.00 0.00 -ATOM 3371 HE2 TYR 213 33.119 26.287 12.793 1.00 0.00 -ATOM 3372 CD2 TYR 213 34.714 26.254 14.265 1.00 0.00 -ATOM 3373 HD2 TYR 213 35.361 26.922 13.697 1.00 0.00 -ATOM 3374 C TYR 213 38.112 26.591 18.070 1.00 0.00 -ATOM 3375 O TYR 213 39.091 26.373 17.354 1.00 0.00 -ATOM 3376 N GLY 214 38.225 27.066 19.322 1.00 0.00 -ATOM 3377 H GLY 214 37.370 27.159 19.851 1.00 0.00 -ATOM 3378 CA GLY 214 39.481 27.452 19.962 1.00 0.00 -ATOM 3379 HA2 GLY 214 39.892 26.573 20.458 1.00 0.00 -ATOM 3380 HA3 GLY 214 40.168 27.785 19.184 1.00 0.00 -ATOM 3381 C GLY 214 39.314 28.573 20.993 1.00 0.00 -ATOM 3382 O GLY 214 38.298 29.268 21.027 1.00 0.00 -ATOM 3383 N SER 215 40.331 28.704 21.859 1.00 0.00 -ATOM 3384 H SER 215 41.122 28.104 21.673 1.00 0.00 -ATOM 3385 CA SER 215 40.394 29.595 23.019 1.00 0.00 -ATOM 3386 HA SER 215 39.446 29.611 23.557 1.00 0.00 -ATOM 3387 CB SER 215 41.490 29.050 23.964 1.00 0.00 -ATOM 3388 HB2 SER 215 41.522 29.693 24.843 1.00 0.00 -ATOM 3389 HB3 SER 215 41.202 28.042 24.262 1.00 0.00 -ATOM 3390 OG SER 215 42.767 29.015 23.359 1.00 0.00 -ATOM 3391 HG SER 215 43.408 28.670 23.985 1.00 0.00 -ATOM 3392 C SER 215 40.723 31.045 22.622 1.00 0.00 -ATOM 3393 O SER 215 41.514 31.276 21.707 1.00 0.00 -ATOM 3394 N VAL 216 40.113 32.004 23.338 1.00 0.00 -ATOM 3395 H VAL 216 39.528 31.675 24.093 1.00 0.00 -ATOM 3396 CA VAL 216 40.204 33.446 23.108 1.00 0.00 -ATOM 3397 HA VAL 216 40.750 33.702 22.200 1.00 0.00 -ATOM 3398 CB VAL 216 38.770 34.044 23.012 1.00 0.00 -ATOM 3399 HB VAL 216 38.270 33.869 23.965 1.00 0.00 -ATOM 3400 CG1 VAL 216 38.775 35.555 22.704 1.00 0.00 -ATOM 3401 HG11 VAL 216 39.274 35.730 21.751 1.00 0.00 -ATOM 3402 HG12 VAL 216 37.749 35.918 22.648 1.00 0.00 -ATOM 3403 HG13 VAL 216 39.306 36.086 23.495 1.00 0.00 -ATOM 3404 CG2 VAL 216 37.901 33.326 21.962 1.00 0.00 -ATOM 3405 HG21 VAL 216 37.808 32.272 22.226 1.00 0.00 -ATOM 3406 HG22 VAL 216 36.911 33.782 21.935 1.00 0.00 -ATOM 3407 HG23 VAL 216 38.368 33.415 20.981 1.00 0.00 -ATOM 3408 C VAL 216 40.986 34.097 24.265 1.00 0.00 -ATOM 3409 O VAL 216 40.721 33.816 25.436 1.00 0.00 -ATOM 3410 N CYS 217 41.914 35.000 23.915 1.00 0.00 -ATOM 3411 H CYS 217 42.109 35.054 22.925 1.00 0.00 -ATOM 3412 CA CYS 217 42.641 35.895 24.814 1.00 0.00 -ATOM 3413 HA CYS 217 42.350 35.701 25.846 1.00 0.00 -ATOM 3414 CB CYS 217 44.162 35.667 24.679 1.00 0.00 -ATOM 3415 HB2 CYS 217 44.466 35.555 23.638 1.00 0.00 -ATOM 3416 HB3 CYS 217 44.736 36.470 25.141 1.00 0.00 -ATOM 3417 SG CYS 217 44.668 34.141 25.517 1.00 0.00 -ATOM 3418 HG CYS 217 45.961 34.243 25.222 1.00 0.00 -ATOM 3419 C CYS 217 42.324 37.349 24.445 1.00 0.00 -ATOM 3420 O CYS 217 42.331 37.711 23.269 1.00 0.00 -ATOM 3421 N ALA 218 42.105 38.190 25.465 1.00 0.00 -ATOM 3422 H ALA 218 42.053 37.775 26.385 1.00 0.00 -ATOM 3423 CA ALA 218 42.004 39.640 25.354 1.00 0.00 -ATOM 3424 HA ALA 218 41.485 39.986 24.460 1.00 0.00 -ATOM 3425 CB ALA 218 41.262 40.170 26.589 1.00 0.00 -ATOM 3426 HB1 ALA 218 41.776 39.839 27.492 1.00 0.00 -ATOM 3427 HB2 ALA 218 41.242 41.259 26.562 1.00 0.00 -ATOM 3428 HB3 ALA 218 40.241 39.788 26.592 1.00 0.00 -ATOM 3429 C ALA 218 43.414 40.242 25.369 1.00 0.00 -ATOM 3430 O ALA 218 44.235 39.882 26.212 1.00 0.00 -ATOM 3431 N ALA 219 43.667 41.177 24.448 1.00 0.00 -ATOM 3432 H ALA 219 42.928 41.320 23.774 1.00 0.00 -ATOM 3433 CA ALA 219 44.912 41.919 24.278 1.00 0.00 -ATOM 3434 HA ALA 219 45.437 41.964 25.232 1.00 0.00 -ATOM 3435 CB ALA 219 45.808 41.201 23.258 1.00 0.00 -ATOM 3436 HB1 ALA 219 45.299 41.156 22.295 1.00 0.00 -ATOM 3437 HB2 ALA 219 46.745 41.748 23.148 1.00 0.00 -ATOM 3438 HB3 ALA 219 46.017 40.189 23.606 1.00 0.00 -ATOM 3439 C ALA 219 44.610 43.367 23.885 1.00 0.00 -ATOM 3440 O ALA 219 43.515 43.672 23.418 1.00 0.00 -ATOM 3441 N PHE 220 45.597 44.254 24.051 1.00 0.00 -ATOM 3442 H PHE 220 46.421 43.936 24.541 1.00 0.00 -ATOM 3443 CA PHE 220 45.576 45.621 23.549 1.00 0.00 -ATOM 3444 HA PHE 220 44.553 45.958 23.384 1.00 0.00 -ATOM 3445 CB PHE 220 46.232 46.537 24.603 1.00 0.00 -ATOM 3446 HB2 PHE 220 45.686 46.450 25.543 1.00 0.00 -ATOM 3447 HB3 PHE 220 47.274 46.261 24.762 1.00 0.00 -ATOM 3448 CG PHE 220 46.224 48.010 24.231 1.00 0.00 -ATOM 3449 CD1 PHE 220 45.014 48.734 24.254 1.00 0.00 -ATOM 3450 HD1 PHE 220 44.089 48.239 24.551 1.00 0.00 -ATOM 3451 CE1 PHE 220 45.000 50.095 23.894 1.00 0.00 -ATOM 3452 HE1 PHE 220 44.065 50.655 23.921 1.00 0.00 -ATOM 3453 CZ PHE 220 46.191 50.733 23.499 1.00 0.00 -ATOM 3454 HZ PHE 220 46.177 51.785 23.213 1.00 0.00 -ATOM 3455 CE2 PHE 220 47.400 50.012 23.473 1.00 0.00 -ATOM 3456 HE2 PHE 220 48.323 50.506 23.168 1.00 0.00 -ATOM 3457 CD2 PHE 220 47.417 48.653 23.841 1.00 0.00 -ATOM 3458 HD2 PHE 220 48.354 48.096 23.825 1.00 0.00 -ATOM 3459 C PHE 220 46.401 45.654 22.256 1.00 0.00 -ATOM 3460 O PHE 220 47.588 45.323 22.267 1.00 0.00 -ATOM 3461 N ASP 221 45.770 46.085 21.154 1.00 0.00 -ATOM 3462 H ASP 221 44.773 46.233 21.217 1.00 0.00 -ATOM 3463 CA ASP 221 46.429 46.355 19.883 1.00 0.00 -ATOM 3464 HA ASP 221 47.266 45.673 19.734 1.00 0.00 -ATOM 3465 CB ASP 221 45.412 46.149 18.734 1.00 0.00 -ATOM 3466 HB2 ASP 221 45.025 45.133 18.814 1.00 0.00 -ATOM 3467 HB3 ASP 221 44.605 46.859 18.915 1.00 0.00 -ATOM 3468 CG ASP 221 45.981 46.370 17.327 1.00 0.00 -ATOM 3469 OD1 ASP 221 47.221 46.350 17.171 1.00 0.00 -ATOM 3470 OD2 ASP 221 45.158 46.540 16.403 1.00 0.00 -ATOM 3471 C ASP 221 46.918 47.813 19.912 1.00 0.00 -ATOM 3472 O ASP 221 46.110 48.741 19.960 1.00 0.00 -ATOM 3473 N THR 222 48.245 47.999 19.880 1.00 0.00 -ATOM 3474 H THR 222 48.815 47.166 19.852 1.00 0.00 -ATOM 3475 CA THR 222 48.917 49.298 19.928 1.00 0.00 -ATOM 3476 HA THR 222 48.447 50.014 20.602 1.00 0.00 -ATOM 3477 CB THR 222 50.391 49.090 20.373 1.00 0.00 -ATOM 3478 HB THR 222 50.863 50.072 20.384 1.00 0.00 -ATOM 3479 CG2 THR 222 50.548 48.431 21.753 1.00 0.00 -ATOM 3480 HG21 THR 222 50.077 47.448 21.743 1.00 0.00 -ATOM 3481 HG22 THR 222 51.607 48.323 21.986 1.00 0.00 -ATOM 3482 HG23 THR 222 50.072 49.054 22.510 1.00 0.00 -ATOM 3483 OG1 THR 222 51.133 48.343 19.430 1.00 0.00 -ATOM 3484 HG1 THR 222 52.035 48.238 19.743 1.00 0.00 -ATOM 3485 C THR 222 48.880 50.041 18.574 1.00 0.00 -ATOM 3486 O THR 222 49.129 51.246 18.560 1.00 0.00 -ATOM 3487 N LYS 223 48.569 49.358 17.456 1.00 0.00 -ATOM 3488 H LYS 223 48.363 48.374 17.552 1.00 0.00 -ATOM 3489 CA LYS 223 48.521 49.951 16.116 1.00 0.00 -ATOM 3490 HA LYS 223 49.318 50.686 15.999 1.00 0.00 -ATOM 3491 CB LYS 223 48.711 48.843 15.055 1.00 0.00 -ATOM 3492 HB2 LYS 223 48.103 47.994 15.367 1.00 0.00 -ATOM 3493 HB3 LYS 223 48.331 49.235 14.112 1.00 0.00 -ATOM 3494 CG LYS 223 50.171 48.388 14.870 1.00 0.00 -ATOM 3495 HG2 LYS 223 50.568 48.154 15.858 1.00 0.00 -ATOM 3496 HG3 LYS 223 50.157 47.484 14.261 1.00 0.00 -ATOM 3497 CD LYS 223 51.062 49.447 14.197 1.00 0.00 -ATOM 3498 HD2 LYS 223 50.549 49.772 13.292 1.00 0.00 -ATOM 3499 HD3 LYS 223 51.144 50.285 14.889 1.00 0.00 -ATOM 3500 CE LYS 223 52.467 48.943 13.835 1.00 0.00 -ATOM 3501 HE2 LYS 223 53.106 49.809 13.665 1.00 0.00 -ATOM 3502 HE3 LYS 223 52.851 48.369 14.678 1.00 0.00 -ATOM 3503 NZ LYS 223 52.456 48.098 12.631 1.00 0.00 -ATOM 3504 HZ1 LYS 223 52.101 48.630 11.849 1.00 0.00 -ATOM 3505 HZ2 LYS 223 53.396 47.789 12.428 1.00 0.00 -ATOM 3506 HZ3 LYS 223 51.864 47.295 12.789 1.00 0.00 -ATOM 3507 C LYS 223 47.191 50.668 15.825 1.00 0.00 -ATOM 3508 O LYS 223 47.195 51.623 15.048 1.00 0.00 -ATOM 3509 N THR 224 46.076 50.240 16.444 1.00 0.00 -ATOM 3510 H THR 224 46.154 49.410 17.014 1.00 0.00 -ATOM 3511 CA THR 224 44.754 50.861 16.295 1.00 0.00 -ATOM 3512 HA THR 224 44.721 51.653 15.547 1.00 0.00 -ATOM 3513 CB THR 224 43.696 49.787 15.927 1.00 0.00 -ATOM 3514 HB THR 224 42.726 50.283 15.896 1.00 0.00 -ATOM 3515 CG2 THR 224 43.961 49.097 14.581 1.00 0.00 -ATOM 3516 HG21 THR 224 44.931 48.600 14.611 1.00 0.00 -ATOM 3517 HG22 THR 224 43.181 48.359 14.391 1.00 0.00 -ATOM 3518 HG23 THR 224 43.959 49.841 13.784 1.00 0.00 -ATOM 3519 OG1 THR 224 43.551 48.805 16.937 1.00 0.00 -ATOM 3520 HG1 THR 224 42.889 48.164 16.667 1.00 0.00 -ATOM 3521 C THR 224 44.332 51.611 17.570 1.00 0.00 -ATOM 3522 O THR 224 43.633 52.619 17.473 1.00 0.00 -ATOM 3523 N GLY 225 44.715 51.107 18.755 1.00 0.00 -ATOM 3524 H GLY 225 45.302 50.285 18.732 1.00 0.00 -ATOM 3525 CA GLY 225 44.346 51.658 20.056 1.00 0.00 -ATOM 3526 HA2 GLY 225 45.218 51.619 20.709 1.00 0.00 -ATOM 3527 HA3 GLY 225 44.041 52.696 19.920 1.00 0.00 -ATOM 3528 C GLY 225 43.195 50.881 20.711 1.00 0.00 -ATOM 3529 O GLY 225 42.732 51.275 21.781 1.00 0.00 -ATOM 3530 N LEU 226 42.701 49.821 20.051 1.00 0.00 -ATOM 3531 H LEU 226 43.213 49.537 19.228 1.00 0.00 -ATOM 3532 CA LEU 226 41.553 49.022 20.460 1.00 0.00 -ATOM 3533 HA LEU 226 40.792 49.650 20.922 1.00 0.00 -ATOM 3534 CB LEU 226 40.944 48.349 19.204 1.00 0.00 -ATOM 3535 HB2 LEU 226 41.786 47.810 18.770 1.00 0.00 -ATOM 3536 HB3 LEU 226 40.179 47.637 19.514 1.00 0.00 -ATOM 3537 CG LEU 226 40.354 49.314 18.152 1.00 0.00 -ATOM 3538 HG LEU 226 41.087 50.090 17.932 1.00 0.00 -ATOM 3539 CD1 LEU 226 40.008 48.555 16.861 1.00 0.00 -ATOM 3540 HD11 LEU 226 39.275 47.779 17.081 1.00 0.00 -ATOM 3541 HD12 LEU 226 39.594 49.250 16.130 1.00 0.00 -ATOM 3542 HD13 LEU 226 40.910 48.097 16.455 1.00 0.00 -ATOM 3543 CD2 LEU 226 39.121 50.066 18.680 1.00 0.00 -ATOM 3544 HD21 LEU 226 39.399 50.651 19.557 1.00 0.00 -ATOM 3545 HD22 LEU 226 38.742 50.732 17.905 1.00 0.00 -ATOM 3546 HD23 LEU 226 38.347 49.349 18.953 1.00 0.00 -ATOM 3547 C LEU 226 41.995 47.886 21.391 1.00 0.00 -ATOM 3548 O LEU 226 43.074 47.314 21.225 1.00 0.00 -ATOM 3549 N ARG 227 41.095 47.504 22.308 1.00 0.00 -ATOM 3550 H ARG 227 40.341 48.141 22.521 1.00 0.00 -ATOM 3551 CA ARG 227 41.121 46.212 22.986 1.00 0.00 -ATOM 3552 HA ARG 227 42.142 45.958 23.271 1.00 0.00 -ATOM 3553 CB ARG 227 40.256 46.274 24.258 1.00 0.00 -ATOM 3554 HB2 ARG 227 39.268 46.634 23.970 1.00 0.00 -ATOM 3555 HB3 ARG 227 40.172 45.261 24.651 1.00 0.00 -ATOM 3556 CG ARG 227 40.842 47.197 25.340 1.00 0.00 -ATOM 3557 HG2 ARG 227 41.858 46.862 25.548 1.00 0.00 -ATOM 3558 HG3 ARG 227 40.869 48.209 24.935 1.00 0.00 -ATOM 3559 CD ARG 227 40.025 47.188 26.640 1.00 0.00 -ATOM 3560 HD2 ARG 227 39.715 46.167 26.862 1.00 0.00 -ATOM 3561 HD3 ARG 227 40.644 47.565 27.455 1.00 0.00 -ATOM 3562 NE ARG 227 38.825 48.031 26.531 1.00 0.00 -ATOM 3563 HE ARG 227 37.993 47.555 26.214 1.00 0.00 -ATOM 3564 CZ ARG 227 38.745 49.343 26.816 1.00 0.00 -ATOM 3565 NH1 ARG 227 39.814 50.038 27.232 1.00 0.00 -ATOM 3566 HH11 ARG 227 40.705 49.574 27.337 1.00 0.00 -ATOM 3567 HH12 ARG 227 39.723 51.022 27.439 1.00 0.00 -ATOM 3568 NH2 ARG 227 37.571 49.971 26.675 1.00 0.00 -ATOM 3569 HH21 ARG 227 36.762 49.457 26.358 1.00 0.00 -ATOM 3570 HH22 ARG 227 37.500 50.956 26.886 1.00 0.00 -ATOM 3571 C ARG 227 40.517 45.184 22.018 1.00 0.00 -ATOM 3572 O ARG 227 39.451 45.418 21.443 1.00 0.00 -ATOM 3573 N VAL 228 41.225 44.066 21.821 1.00 0.00 -ATOM 3574 H VAL 228 42.065 43.978 22.375 1.00 0.00 -ATOM 3575 CA VAL 228 40.964 43.060 20.797 1.00 0.00 -ATOM 3576 HA VAL 228 39.953 43.072 20.389 1.00 0.00 -ATOM 3577 CB VAL 228 41.974 43.192 19.625 1.00 0.00 -ATOM 3578 HB VAL 228 41.819 42.351 18.949 1.00 0.00 -ATOM 3579 CG1 VAL 228 41.803 44.510 18.850 1.00 0.00 -ATOM 3580 HG11 VAL 228 41.959 45.352 19.525 1.00 0.00 -ATOM 3581 HG12 VAL 228 42.532 44.554 18.041 1.00 0.00 -ATOM 3582 HG13 VAL 228 40.797 44.560 18.434 1.00 0.00 -ATOM 3583 CG2 VAL 228 43.443 43.001 20.042 1.00 0.00 -ATOM 3584 HG21 VAL 228 43.574 42.007 20.469 1.00 0.00 -ATOM 3585 HG22 VAL 228 44.086 43.108 19.168 1.00 0.00 -ATOM 3586 HG23 VAL 228 43.711 43.753 20.784 1.00 0.00 -ATOM 3587 C VAL 228 40.918 41.653 21.404 1.00 0.00 -ATOM 3588 O VAL 228 41.730 41.309 22.262 1.00 0.00 -ATOM 3589 N ALA 229 39.967 40.840 20.927 1.00 0.00 -ATOM 3590 H ALA 229 39.312 41.254 20.279 1.00 0.00 -ATOM 3591 CA ALA 229 39.839 39.422 21.226 1.00 0.00 -ATOM 3592 HA ALA 229 40.259 39.098 22.178 1.00 0.00 -ATOM 3593 CB ALA 229 38.342 39.071 21.204 1.00 0.00 -ATOM 3594 HB1 ALA 229 37.909 39.381 20.253 1.00 0.00 -ATOM 3595 HB2 ALA 229 38.219 37.995 21.324 1.00 0.00 -ATOM 3596 HB3 ALA 229 37.835 39.588 22.019 1.00 0.00 -ATOM 3597 C ALA 229 40.555 38.654 20.107 1.00 0.00 -ATOM 3598 O ALA 229 40.089 38.635 18.968 1.00 0.00 -ATOM 3599 N VAL 230 41.701 38.045 20.443 1.00 0.00 -ATOM 3600 H VAL 230 42.003 38.169 21.399 1.00 0.00 -ATOM 3601 CA VAL 230 42.513 37.209 19.563 1.00 0.00 -ATOM 3602 HA VAL 230 42.312 37.370 18.504 1.00 0.00 -ATOM 3603 CB VAL 230 44.025 37.482 19.831 1.00 0.00 -ATOM 3604 HB VAL 230 44.239 37.212 20.865 1.00 0.00 -ATOM 3605 CG1 VAL 230 44.943 36.674 18.887 1.00 0.00 -ATOM 3606 HG11 VAL 230 44.730 36.944 17.853 1.00 0.00 -ATOM 3607 HG12 VAL 230 45.985 36.899 19.113 1.00 0.00 -ATOM 3608 HG13 VAL 230 44.763 35.608 19.028 1.00 0.00 -ATOM 3609 CG2 VAL 230 44.383 38.978 19.736 1.00 0.00 -ATOM 3610 HG21 VAL 230 43.807 39.538 20.473 1.00 0.00 -ATOM 3611 HG22 VAL 230 45.447 39.111 19.931 1.00 0.00 -ATOM 3612 HG23 VAL 230 44.149 39.345 18.737 1.00 0.00 -ATOM 3613 C VAL 230 42.180 35.750 19.920 1.00 0.00 -ATOM 3614 O VAL 230 42.313 35.367 21.081 1.00 0.00 -ATOM 3615 N LYS 231 41.764 34.943 18.933 1.00 0.00 -ATOM 3616 H LYS 231 41.636 35.368 18.026 1.00 0.00 -ATOM 3617 CA LYS 231 41.522 33.507 19.066 1.00 0.00 -ATOM 3618 HA LYS 231 41.536 33.215 20.116 1.00 0.00 -ATOM 3619 CB LYS 231 40.135 33.168 18.478 1.00 0.00 -ATOM 3620 HB2 LYS 231 39.419 33.848 18.940 1.00 0.00 -ATOM 3621 HB3 LYS 231 40.187 33.367 17.408 1.00 0.00 -ATOM 3622 CG LYS 231 39.680 31.707 18.709 1.00 0.00 -ATOM 3623 HG2 LYS 231 40.546 31.065 18.549 1.00 0.00 -ATOM 3624 HG3 LYS 231 39.355 31.626 19.746 1.00 0.00 -ATOM 3625 CD LYS 231 38.540 31.268 17.780 1.00 0.00 -ATOM 3626 HD2 LYS 231 38.898 31.350 16.754 1.00 0.00 -ATOM 3627 HD3 LYS 231 38.314 30.225 18.003 1.00 0.00 -ATOM 3628 CE LYS 231 37.274 32.111 17.947 1.00 0.00 -ATOM 3629 HE2 LYS 231 36.924 32.007 18.974 1.00 0.00 -ATOM 3630 HE3 LYS 231 37.526 33.154 17.753 1.00 0.00 -ATOM 3631 NZ LYS 231 36.216 31.684 17.024 1.00 0.00 -ATOM 3632 HZ1 LYS 231 35.982 30.718 17.204 1.00 0.00 -ATOM 3633 HZ2 LYS 231 35.397 32.260 17.161 1.00 0.00 -ATOM 3634 HZ3 LYS 231 36.540 31.780 16.072 1.00 0.00 -ATOM 3635 C LYS 231 42.584 32.750 18.265 1.00 0.00 -ATOM 3636 O LYS 231 42.713 32.979 17.064 1.00 0.00 -ATOM 3637 N LYS 232 43.271 31.796 18.912 1.00 0.00 -ATOM 3638 H LYS 232 43.223 31.784 19.921 1.00 0.00 -ATOM 3639 CA LYS 232 44.050 30.756 18.244 1.00 0.00 -ATOM 3640 HA LYS 232 44.402 31.108 17.274 1.00 0.00 -ATOM 3641 CB LYS 232 45.277 30.399 19.115 1.00 0.00 -ATOM 3642 HB2 LYS 232 45.795 31.323 19.369 1.00 0.00 -ATOM 3643 HB3 LYS 232 44.920 29.920 20.027 1.00 0.00 -ATOM 3644 CG LYS 232 46.246 29.452 18.384 1.00 0.00 -ATOM 3645 HG2 LYS 232 45.684 28.549 18.145 1.00 0.00 -ATOM 3646 HG3 LYS 232 46.538 29.952 17.461 1.00 0.00 -ATOM 3647 CD LYS 232 47.502 29.076 19.181 1.00 0.00 -ATOM 3648 HD2 LYS 232 48.037 29.985 19.455 1.00 0.00 -ATOM 3649 HD3 LYS 232 47.206 28.544 20.085 1.00 0.00 -ATOM 3650 CE LYS 232 48.418 28.178 18.335 1.00 0.00 -ATOM 3651 HE2 LYS 232 47.874 27.262 18.107 1.00 0.00 -ATOM 3652 HE3 LYS 232 48.645 28.706 17.409 1.00 0.00 -ATOM 3653 NZ LYS 232 49.671 27.844 19.028 1.00 0.00 -ATOM 3654 HZ1 LYS 232 49.461 27.355 19.886 1.00 0.00 -ATOM 3655 HZ2 LYS 232 50.237 27.255 18.434 1.00 0.00 -ATOM 3656 HZ3 LYS 232 50.175 28.693 19.239 1.00 0.00 -ATOM 3657 C LYS 232 43.146 29.517 18.115 1.00 0.00 -ATOM 3658 O LYS 232 42.568 29.066 19.106 1.00 0.00 -ATOM 3659 N LEU 233 43.040 28.963 16.896 1.00 0.00 -ATOM 3660 H LEU 233 43.554 29.400 16.145 1.00 0.00 -ATOM 3661 CA LEU 233 42.246 27.769 16.592 1.00 0.00 -ATOM 3662 HA LEU 233 41.299 27.791 17.132 1.00 0.00 -ATOM 3663 CB LEU 233 41.949 27.737 15.074 1.00 0.00 -ATOM 3664 HB2 LEU 233 42.928 27.824 14.603 1.00 0.00 -ATOM 3665 HB3 LEU 233 41.511 26.770 14.825 1.00 0.00 -ATOM 3666 CG LEU 233 41.027 28.868 14.559 1.00 0.00 -ATOM 3667 HG LEU 233 41.460 29.831 14.828 1.00 0.00 -ATOM 3668 CD1 LEU 233 40.880 28.782 13.035 1.00 0.00 -ATOM 3669 HD11 LEU 233 40.446 27.819 12.765 1.00 0.00 -ATOM 3670 HD12 LEU 233 40.229 29.584 12.686 1.00 0.00 -ATOM 3671 HD13 LEU 233 41.860 28.882 12.569 1.00 0.00 -ATOM 3672 CD2 LEU 233 39.633 28.848 15.206 1.00 0.00 -ATOM 3673 HD21 LEU 233 39.731 28.967 16.285 1.00 0.00 -ATOM 3674 HD22 LEU 233 39.034 29.665 14.804 1.00 0.00 -ATOM 3675 HD23 LEU 233 39.144 27.898 14.988 1.00 0.00 -ATOM 3676 C LEU 233 43.031 26.499 16.972 1.00 0.00 -ATOM 3677 O LEU 233 44.196 26.352 16.607 1.00 0.00 -ATOM 3678 N SER 234 42.391 25.585 17.718 1.00 0.00 -ATOM 3679 H SER 234 41.433 25.790 17.963 1.00 0.00 -ATOM 3680 CA SER 234 42.992 24.353 18.237 1.00 0.00 -ATOM 3681 HA SER 234 44.040 24.503 18.498 1.00 0.00 -ATOM 3682 CB SER 234 42.214 23.961 19.518 1.00 0.00 -ATOM 3683 HB2 SER 234 42.682 23.062 19.920 1.00 0.00 -ATOM 3684 HB3 SER 234 42.327 24.778 20.230 1.00 0.00 -ATOM 3685 OG SER 234 40.837 23.717 19.295 1.00 0.00 -ATOM 3686 HG SER 234 40.416 23.480 20.124 1.00 0.00 -ATOM 3687 C SER 234 42.954 23.230 17.178 1.00 0.00 -ATOM 3688 O SER 234 41.900 22.648 16.915 1.00 0.00 -ATOM 3689 N ARG 235 44.120 22.956 16.558 1.00 0.00 -ATOM 3690 H ARG 235 44.870 23.576 16.829 1.00 0.00 -ATOM 3691 CA ARG 235 44.372 21.983 15.481 1.00 0.00 -ATOM 3692 HA ARG 235 45.378 22.139 15.092 1.00 0.00 -ATOM 3693 CB ARG 235 44.253 20.516 15.976 1.00 0.00 -ATOM 3694 HB2 ARG 235 43.436 20.493 16.697 1.00 0.00 -ATOM 3695 HB3 ARG 235 43.988 19.912 15.108 1.00 0.00 -ATOM 3696 CG ARG 235 45.528 19.946 16.627 1.00 0.00 -ATOM 3697 HG2 ARG 235 45.419 18.861 16.626 1.00 0.00 -ATOM 3698 HG3 ARG 235 46.359 20.228 15.981 1.00 0.00 -ATOM 3699 CD ARG 235 45.805 20.430 18.056 1.00 0.00 -ATOM 3700 HD2 ARG 235 46.855 20.263 18.297 1.00 0.00 -ATOM 3701 HD3 ARG 235 45.581 21.494 18.127 1.00 0.00 -ATOM 3702 NE ARG 235 44.977 19.709 19.032 1.00 0.00 -ATOM 3703 HE ARG 235 44.346 19.017 18.653 1.00 0.00 -ATOM 3704 CZ ARG 235 44.998 19.897 20.362 1.00 0.00 -ATOM 3705 NH1 ARG 235 45.800 20.814 20.922 1.00 0.00 -ATOM 3706 HH11 ARG 235 46.402 21.377 20.339 1.00 0.00 -ATOM 3707 HH12 ARG 235 45.798 20.937 21.924 1.00 0.00 -ATOM 3708 NH2 ARG 235 44.201 19.155 21.141 1.00 0.00 -ATOM 3709 HH21 ARG 235 43.594 18.464 20.724 1.00 0.00 -ATOM 3710 HH22 ARG 235 44.211 19.290 22.142 1.00 0.00 -ATOM 3711 C ARG 235 43.472 22.265 14.255 1.00 0.00 -ATOM 3712 O ARG 235 42.497 21.543 14.036 1.00 0.00 -ATOM 3713 N PRO 236 43.761 23.327 13.469 1.00 0.00 -ATOM 3714 CD PRO 236 44.901 24.234 13.643 1.00 0.00 -ATOM 3715 HD2 PRO 236 45.814 23.640 13.600 1.00 0.00 -ATOM 3716 HD3 PRO 236 44.816 24.697 14.626 1.00 0.00 -ATOM 3717 CG PRO 236 44.811 25.252 12.511 1.00 0.00 -ATOM 3718 HG2 PRO 236 45.476 24.971 11.695 1.00 0.00 -ATOM 3719 HG3 PRO 236 45.079 26.245 12.872 1.00 0.00 -ATOM 3720 CB PRO 236 43.356 25.207 12.081 1.00 0.00 -ATOM 3721 HB2 PRO 236 43.228 25.432 11.022 1.00 0.00 -ATOM 3722 HB3 PRO 236 42.771 25.910 12.675 1.00 0.00 -ATOM 3723 CA PRO 236 42.897 23.768 12.369 1.00 0.00 -ATOM 3724 HA PRO 236 41.878 23.769 12.757 1.00 0.00 -ATOM 3725 C PRO 236 42.960 22.903 11.093 1.00 0.00 -ATOM 3726 O PRO 236 42.166 23.153 10.191 1.00 0.00 -ATOM 3727 N PHE 237 43.865 21.910 10.993 1.00 0.00 -ATOM 3728 H PHE 237 44.495 21.792 11.773 1.00 0.00 -ATOM 3729 CA PHE 237 44.102 21.115 9.779 1.00 0.00 -ATOM 3730 HA PHE 237 43.198 21.103 9.170 1.00 0.00 -ATOM 3731 CB PHE 237 45.260 21.714 8.936 1.00 0.00 -ATOM 3732 HB2 PHE 237 46.183 21.577 9.499 1.00 0.00 -ATOM 3733 HB3 PHE 237 45.336 21.191 7.983 1.00 0.00 -ATOM 3734 CG PHE 237 45.163 23.196 8.613 1.00 0.00 -ATOM 3735 CD1 PHE 237 46.115 24.091 9.145 1.00 0.00 -ATOM 3736 HD1 PHE 237 46.943 23.711 9.743 1.00 0.00 -ATOM 3737 CE1 PHE 237 45.997 25.472 8.905 1.00 0.00 -ATOM 3738 HE1 PHE 237 46.735 26.163 9.313 1.00 0.00 -ATOM 3739 CZ PHE 237 44.925 25.961 8.137 1.00 0.00 -ATOM 3740 HZ PHE 237 44.825 27.033 7.968 1.00 0.00 -ATOM 3741 CE2 PHE 237 43.983 25.071 7.587 1.00 0.00 -ATOM 3742 HE2 PHE 237 43.156 25.452 6.988 1.00 0.00 -ATOM 3743 CD2 PHE 237 44.110 23.688 7.812 1.00 0.00 -ATOM 3744 HD2 PHE 237 43.395 22.996 7.368 1.00 0.00 -ATOM 3745 C PHE 237 44.287 19.612 10.055 1.00 0.00 -ATOM 3746 O PHE 237 44.861 18.920 9.215 1.00 0.00 -ATOM 3747 N GLN 238 43.833 19.083 11.208 1.00 0.00 -ATOM 3748 H GLN 238 43.392 19.698 11.877 1.00 0.00 -ATOM 3749 CA GLN 238 44.027 17.672 11.579 1.00 0.00 -ATOM 3750 HA GLN 238 45.020 17.337 11.279 1.00 0.00 -ATOM 3751 CB GLN 238 43.894 17.512 13.111 1.00 0.00 -ATOM 3752 HB2 GLN 238 44.231 16.500 13.333 1.00 0.00 -ATOM 3753 HB3 GLN 238 44.590 18.230 13.545 1.00 0.00 -ATOM 3754 CG GLN 238 42.487 17.730 13.714 1.00 0.00 -ATOM 3755 HG2 GLN 238 42.190 18.768 13.565 1.00 0.00 -ATOM 3756 HG3 GLN 238 41.785 17.074 13.199 1.00 0.00 -ATOM 3757 CD GLN 238 42.439 17.417 15.214 1.00 0.00 -ATOM 3758 OE1 GLN 238 43.092 16.493 15.694 1.00 0.00 -ATOM 3759 NE2 GLN 238 41.667 18.196 15.972 1.00 0.00 -ATOM 3760 HE21 GLN 238 41.605 18.027 16.966 1.00 0.00 -ATOM 3761 HE22 GLN 238 41.148 18.952 15.549 1.00 0.00 -ATOM 3762 C GLN 238 43.076 16.688 10.858 1.00 0.00 -ATOM 3763 O GLN 238 43.308 15.481 10.919 1.00 0.00 -ATOM 3764 N SER 239 42.031 17.185 10.177 1.00 0.00 -ATOM 3765 H SER 239 41.831 18.160 10.347 1.00 0.00 -ATOM 3766 CA SER 239 41.078 16.410 9.382 1.00 0.00 -ATOM 3767 HA SER 239 41.606 15.633 8.829 1.00 0.00 -ATOM 3768 CB SER 239 40.025 15.738 10.295 1.00 0.00 -ATOM 3769 HB2 SER 239 39.592 14.902 9.746 1.00 0.00 -ATOM 3770 HB3 SER 239 40.540 15.364 11.180 1.00 0.00 -ATOM 3771 OG SER 239 38.998 16.626 10.688 1.00 0.00 -ATOM 3772 HG SER 239 38.373 16.163 11.251 1.00 0.00 -ATOM 3773 C SER 239 40.510 17.261 8.237 1.00 0.00 -ATOM 3774 O SER 239 40.688 18.479 8.225 1.00 0.00 -ATOM 3775 N ILE 240 39.815 16.621 7.276 1.00 0.00 -ATOM 3776 H ILE 240 39.807 15.612 7.320 1.00 0.00 -ATOM 3777 CA ILE 240 39.135 17.275 6.146 1.00 0.00 -ATOM 3778 HA ILE 240 39.779 17.992 5.637 1.00 0.00 -ATOM 3779 CB ILE 240 38.634 16.207 5.123 1.00 0.00 -ATOM 3780 HB ILE 240 38.053 15.466 5.672 1.00 0.00 -ATOM 3781 CG2 ILE 240 37.763 16.817 4.001 1.00 0.00 -ATOM 3782 HG21 ILE 240 38.344 17.558 3.452 1.00 0.00 -ATOM 3783 HG22 ILE 240 37.443 16.029 3.319 1.00 0.00 -ATOM 3784 HG23 ILE 240 36.887 17.295 4.440 1.00 0.00 -ATOM 3785 CG1 ILE 240 39.813 15.423 4.501 1.00 0.00 -ATOM 3786 HG12 ILE 240 40.326 16.108 3.826 1.00 0.00 -ATOM 3787 HG13 ILE 240 40.480 15.154 5.320 1.00 0.00 -ATOM 3788 CD1 ILE 240 39.408 14.156 3.734 1.00 0.00 -ATOM 3789 HD11 ILE 240 38.741 14.424 2.914 1.00 0.00 -ATOM 3790 HD12 ILE 240 40.299 13.673 3.334 1.00 0.00 -ATOM 3791 HD13 ILE 240 38.896 13.470 4.409 1.00 0.00 -ATOM 3792 C ILE 240 37.972 18.150 6.654 1.00 0.00 -ATOM 3793 O ILE 240 37.786 19.261 6.159 1.00 0.00 -ATOM 3794 N ILE 241 37.233 17.663 7.668 1.00 0.00 -ATOM 3795 H ILE 241 37.404 16.700 7.919 1.00 0.00 -ATOM 3796 CA ILE 241 36.167 18.382 8.364 1.00 0.00 -ATOM 3797 HA ILE 241 35.441 18.867 7.712 1.00 0.00 -ATOM 3798 CB ILE 241 35.426 17.420 9.341 1.00 0.00 -ATOM 3799 HB ILE 241 36.187 16.942 9.958 1.00 0.00 -ATOM 3800 CG2 ILE 241 34.388 18.116 10.251 1.00 0.00 -ATOM 3801 HG21 ILE 241 33.626 18.594 9.635 1.00 0.00 -ATOM 3802 HG22 ILE 241 33.918 17.376 10.899 1.00 0.00 -ATOM 3803 HG23 ILE 241 34.886 18.869 10.861 1.00 0.00 -ATOM 3804 CG1 ILE 241 34.782 16.210 8.621 1.00 0.00 -ATOM 3805 HG12 ILE 241 35.586 15.704 8.086 1.00 0.00 -ATOM 3806 HG13 ILE 241 34.397 15.554 9.402 1.00 0.00 -ATOM 3807 CD1 ILE 241 33.651 16.555 7.638 1.00 0.00 -ATOM 3808 HD11 ILE 241 34.035 17.210 6.856 1.00 0.00 -ATOM 3809 HD12 ILE 241 33.268 15.639 7.188 1.00 0.00 -ATOM 3810 HD13 ILE 241 32.846 17.060 8.172 1.00 0.00 -ATOM 3811 C ILE 241 36.723 19.616 9.094 1.00 0.00 -ATOM 3812 O ILE 241 36.102 20.672 9.015 1.00 0.00 -ATOM 3813 N HIE 242 37.883 19.497 9.767 1.00 0.00 -ATOM 3814 H HIE 242 38.329 18.591 9.770 1.00 0.00 -ATOM 3815 CA HIE 242 38.496 20.576 10.545 1.00 0.00 -ATOM 3816 HA HIE 242 37.727 21.122 11.092 1.00 0.00 -ATOM 3817 CB HIE 242 39.506 19.999 11.559 1.00 0.00 -ATOM 3818 HB2 HIE 242 40.124 19.243 11.074 1.00 0.00 -ATOM 3819 HB3 HIE 242 40.143 20.794 11.947 1.00 0.00 -ATOM 3820 CG HIE 242 38.868 19.332 12.758 1.00 0.00 -ATOM 3821 ND1 HIE 242 39.483 19.313 14.014 1.00 0.00 -ATOM 3822 CE1 HIE 242 38.639 18.659 14.803 1.00 0.00 -ATOM 3823 HE1 HIE 242 38.949 18.544 15.842 1.00 0.00 -ATOM 3824 NE2 HIE 242 37.542 18.252 14.169 1.00 0.00 -ATOM 3825 HE2 HIE 242 36.759 17.737 14.545 1.00 0.00 -ATOM 3826 CD2 HIE 242 37.660 18.670 12.856 1.00 0.00 -ATOM 3827 HD2 HIE 242 36.869 18.448 12.140 1.00 0.00 -ATOM 3828 C HIE 242 39.189 21.635 9.668 1.00 0.00 -ATOM 3829 O HIE 242 39.216 22.803 10.057 1.00 0.00 -ATOM 3830 N ALA 243 39.690 21.253 8.481 1.00 0.00 -ATOM 3831 H ALA 243 39.632 20.270 8.258 1.00 0.00 -ATOM 3832 CA ALA 243 40.315 22.149 7.507 1.00 0.00 -ATOM 3833 HA ALA 243 40.981 22.854 8.004 1.00 0.00 -ATOM 3834 CB ALA 243 41.141 21.298 6.530 1.00 0.00 -ATOM 3835 HB1 ALA 243 40.486 20.593 6.018 1.00 0.00 -ATOM 3836 HB2 ALA 243 41.619 21.947 5.797 1.00 0.00 -ATOM 3837 HB3 ALA 243 41.904 20.749 7.081 1.00 0.00 -ATOM 3838 C ALA 243 39.271 22.959 6.718 1.00 0.00 -ATOM 3839 O ALA 243 39.522 24.123 6.407 1.00 0.00 -ATOM 3840 N LYS 244 38.092 22.373 6.443 1.00 0.00 -ATOM 3841 H LYS 244 37.999 21.402 6.703 1.00 0.00 -ATOM 3842 CA LYS 244 36.953 23.032 5.798 1.00 0.00 -ATOM 3843 HA LYS 244 37.278 23.632 4.948 1.00 0.00 -ATOM 3844 CB LYS 244 35.994 21.935 5.289 1.00 0.00 -ATOM 3845 HB2 LYS 244 36.597 21.217 4.734 1.00 0.00 -ATOM 3846 HB3 LYS 244 35.569 21.450 6.168 1.00 0.00 -ATOM 3847 CG LYS 244 34.857 22.454 4.390 1.00 0.00 -ATOM 3848 HG2 LYS 244 34.276 23.179 4.961 1.00 0.00 -ATOM 3849 HG3 LYS 244 35.305 22.947 3.527 1.00 0.00 -ATOM 3850 CD LYS 244 33.936 21.324 3.912 1.00 0.00 -ATOM 3851 HD2 LYS 244 34.548 20.591 3.386 1.00 0.00 -ATOM 3852 HD3 LYS 244 33.489 20.860 4.791 1.00 0.00 -ATOM 3853 CE LYS 244 32.827 21.827 2.980 1.00 0.00 -ATOM 3854 HE2 LYS 244 32.323 22.666 3.461 1.00 0.00 -ATOM 3855 HE3 LYS 244 33.282 22.163 2.048 1.00 0.00 -ATOM 3856 NZ LYS 244 31.848 20.766 2.693 1.00 0.00 -ATOM 3857 HZ1 LYS 244 31.426 20.455 3.556 1.00 0.00 -ATOM 3858 HZ2 LYS 244 31.132 21.126 2.079 1.00 0.00 -ATOM 3859 HZ3 LYS 244 32.315 19.989 2.247 1.00 0.00 -ATOM 3860 C LYS 244 36.206 23.954 6.787 1.00 0.00 -ATOM 3861 O LYS 244 35.692 24.988 6.375 1.00 0.00 -ATOM 3862 N ARG 245 36.189 23.597 8.082 1.00 0.00 -ATOM 3863 H ARG 245 36.575 22.678 8.244 1.00 0.00 -ATOM 3864 CA ARG 245 35.662 24.344 9.232 1.00 0.00 -ATOM 3865 HA ARG 245 34.629 24.658 9.084 1.00 0.00 -ATOM 3866 CB ARG 245 35.712 23.352 10.416 1.00 0.00 -ATOM 3867 HB2 ARG 245 34.908 22.655 10.182 1.00 0.00 -ATOM 3868 HB3 ARG 245 36.673 22.857 10.277 1.00 0.00 -ATOM 3869 CG ARG 245 35.580 23.815 11.881 1.00 0.00 -ATOM 3870 HG2 ARG 245 36.063 24.783 12.014 1.00 0.00 -ATOM 3871 HG3 ARG 245 34.528 23.893 12.157 1.00 0.00 -ATOM 3872 CD ARG 245 36.270 22.770 12.779 1.00 0.00 -ATOM 3873 HD2 ARG 245 35.882 21.790 12.501 1.00 0.00 -ATOM 3874 HD3 ARG 245 37.339 22.810 12.569 1.00 0.00 -ATOM 3875 NE ARG 245 36.066 22.965 14.219 1.00 0.00 -ATOM 3876 HE ARG 245 35.208 23.422 14.494 1.00 0.00 -ATOM 3877 CZ ARG 245 36.933 22.594 15.181 1.00 0.00 -ATOM 3878 NH1 ARG 245 38.141 22.095 14.886 1.00 0.00 -ATOM 3879 HH11 ARG 245 38.419 21.990 13.921 1.00 0.00 -ATOM 3880 HH12 ARG 245 38.768 21.826 15.630 1.00 0.00 -ATOM 3881 NH2 ARG 245 36.589 22.710 16.470 1.00 0.00 -ATOM 3882 HH21 ARG 245 35.680 23.075 16.716 1.00 0.00 -ATOM 3883 HH22 ARG 245 37.240 22.431 17.190 1.00 0.00 -ATOM 3884 C ARG 245 36.471 25.620 9.520 1.00 0.00 -ATOM 3885 O ARG 245 35.880 26.647 9.853 1.00 0.00 -ATOM 3886 N THR 246 37.805 25.564 9.351 1.00 0.00 -ATOM 3887 H THR 246 38.196 24.663 9.115 1.00 0.00 -ATOM 3888 CA THR 246 38.718 26.701 9.496 1.00 0.00 -ATOM 3889 HA THR 246 38.489 27.232 10.420 1.00 0.00 -ATOM 3890 CB THR 246 40.177 26.179 9.573 1.00 0.00 -ATOM 3891 HB THR 246 40.327 25.525 8.714 1.00 0.00 -ATOM 3892 CG2 THR 246 41.250 27.285 9.570 1.00 0.00 -ATOM 3893 HG21 THR 246 41.101 27.939 10.429 1.00 0.00 -ATOM 3894 HG22 THR 246 42.240 26.832 9.626 1.00 0.00 -ATOM 3895 HG23 THR 246 41.169 27.868 8.652 1.00 0.00 -ATOM 3896 OG1 THR 246 40.333 25.472 10.785 1.00 0.00 -ATOM 3897 HG1 THR 246 41.232 25.141 10.849 1.00 0.00 -ATOM 3898 C THR 246 38.568 27.653 8.297 1.00 0.00 -ATOM 3899 O THR 246 38.538 28.869 8.490 1.00 0.00 -ATOM 3900 N TYR 247 38.450 27.101 7.075 1.00 0.00 -ATOM 3901 H TYR 247 38.547 26.097 7.016 1.00 0.00 -ATOM 3902 CA TYR 247 38.241 27.851 5.839 1.00 0.00 -ATOM 3903 HA TYR 247 38.990 28.636 5.740 1.00 0.00 -ATOM 3904 CB TYR 247 38.367 26.895 4.634 1.00 0.00 -ATOM 3905 HB2 TYR 247 39.378 26.494 4.700 1.00 0.00 -ATOM 3906 HB3 TYR 247 37.647 26.083 4.737 1.00 0.00 -ATOM 3907 CG TYR 247 38.178 27.571 3.287 1.00 0.00 -ATOM 3908 CD1 TYR 247 39.063 28.590 2.873 1.00 0.00 -ATOM 3909 HD1 TYR 247 39.923 28.844 3.492 1.00 0.00 -ATOM 3910 CE1 TYR 247 38.837 29.277 1.665 1.00 0.00 -ATOM 3911 HE1 TYR 247 39.517 30.068 1.349 1.00 0.00 -ATOM 3912 CZ TYR 247 37.737 28.931 0.858 1.00 0.00 -ATOM 3913 OH TYR 247 37.496 29.594 -0.308 1.00 0.00 -ATOM 3914 HH TYR 247 38.140 30.283 -0.488 1.00 0.00 -ATOM 3915 CE2 TYR 247 36.868 27.903 1.258 1.00 0.00 -ATOM 3916 HE2 TYR 247 36.026 27.630 0.623 1.00 0.00 -ATOM 3917 CD2 TYR 247 37.081 27.227 2.473 1.00 0.00 -ATOM 3918 HD2 TYR 247 36.397 26.437 2.784 1.00 0.00 -ATOM 3919 C TYR 247 36.869 28.549 5.826 1.00 0.00 -ATOM 3920 O TYR 247 36.791 29.707 5.424 1.00 0.00 -ATOM 3921 N ARG 248 35.813 27.868 6.306 1.00 0.00 -ATOM 3922 H ARG 248 35.990 26.899 6.531 1.00 0.00 -ATOM 3923 CA ARG 248 34.450 28.378 6.457 1.00 0.00 -ATOM 3924 HA ARG 248 34.066 28.725 5.498 1.00 0.00 -ATOM 3925 CB ARG 248 33.535 27.246 6.974 1.00 0.00 -ATOM 3926 HB2 ARG 248 33.585 26.448 6.234 1.00 0.00 -ATOM 3927 HB3 ARG 248 33.972 26.900 7.910 1.00 0.00 -ATOM 3928 CG ARG 248 32.062 27.638 7.209 1.00 0.00 -ATOM 3929 HG2 ARG 248 32.048 28.500 7.876 1.00 0.00 -ATOM 3930 HG3 ARG 248 31.633 27.917 6.246 1.00 0.00 -ATOM 3931 CD ARG 248 31.238 26.504 7.825 1.00 0.00 -ATOM 3932 HD2 ARG 248 31.719 26.161 8.741 1.00 0.00 -ATOM 3933 HD3 ARG 248 30.236 26.866 8.055 1.00 0.00 -ATOM 3934 NE ARG 248 31.127 25.370 6.899 1.00 0.00 -ATOM 3935 HE ARG 248 30.674 25.588 6.023 1.00 0.00 -ATOM 3936 CZ ARG 248 31.560 24.115 7.102 1.00 0.00 -ATOM 3937 NH1 ARG 248 31.417 23.220 6.122 1.00 0.00 -ATOM 3938 HH11 ARG 248 30.989 23.495 5.249 1.00 0.00 -ATOM 3939 HH12 ARG 248 31.737 22.272 6.258 1.00 0.00 -ATOM 3940 NH2 ARG 248 32.132 23.732 8.250 1.00 0.00 -ATOM 3941 HH21 ARG 248 32.249 24.399 8.999 1.00 0.00 -ATOM 3942 HH22 ARG 248 32.444 22.778 8.362 1.00 0.00 -ATOM 3943 C ARG 248 34.405 29.598 7.384 1.00 0.00 -ATOM 3944 O ARG 248 33.879 30.635 6.986 1.00 0.00 -ATOM 3945 N GLU 249 34.988 29.476 8.590 1.00 0.00 -ATOM 3946 H GLU 249 35.310 28.552 8.838 1.00 0.00 -ATOM 3947 CA GLU 249 35.084 30.535 9.592 1.00 0.00 -ATOM 3948 HA GLU 249 34.093 30.921 9.832 1.00 0.00 -ATOM 3949 CB GLU 249 35.717 29.965 10.880 1.00 0.00 -ATOM 3950 HB2 GLU 249 35.023 29.229 11.286 1.00 0.00 -ATOM 3951 HB3 GLU 249 36.645 29.470 10.595 1.00 0.00 -ATOM 3952 CG GLU 249 36.013 31.036 11.950 1.00 0.00 -ATOM 3953 HG2 GLU 249 36.930 31.550 11.661 1.00 0.00 -ATOM 3954 HG3 GLU 249 35.178 31.736 11.914 1.00 0.00 -ATOM 3955 CD GLU 249 36.160 30.492 13.368 1.00 0.00 -ATOM 3956 OE1 GLU 249 36.583 29.325 13.519 1.00 0.00 -ATOM 3957 OE2 GLU 249 35.859 31.282 14.287 1.00 0.00 -ATOM 3958 C GLU 249 35.833 31.778 9.080 1.00 0.00 -ATOM 3959 O GLU 249 35.364 32.896 9.284 1.00 0.00 -ATOM 3960 N LEU 250 36.969 31.579 8.390 1.00 0.00 -ATOM 3961 H LEU 250 37.289 30.625 8.302 1.00 0.00 -ATOM 3962 CA LEU 250 37.799 32.642 7.830 1.00 0.00 -ATOM 3963 HA LEU 250 38.001 33.410 8.577 1.00 0.00 -ATOM 3964 CB LEU 250 39.142 32.027 7.378 1.00 0.00 -ATOM 3965 HB2 LEU 250 39.538 31.588 8.293 1.00 0.00 -ATOM 3966 HB3 LEU 250 38.941 31.237 6.654 1.00 0.00 -ATOM 3967 CG LEU 250 40.177 33.013 6.790 1.00 0.00 -ATOM 3968 HG LEU 250 39.788 33.376 5.839 1.00 0.00 -ATOM 3969 CD1 LEU 250 40.459 34.205 7.715 1.00 0.00 -ATOM 3970 HD11 LEU 250 40.849 33.843 8.666 1.00 0.00 -ATOM 3971 HD12 LEU 250 41.193 34.862 7.248 1.00 0.00 -ATOM 3972 HD13 LEU 250 39.536 34.758 7.888 1.00 0.00 -ATOM 3973 CD2 LEU 250 41.485 32.281 6.463 1.00 0.00 -ATOM 3974 HD21 LEU 250 41.289 31.495 5.734 1.00 0.00 -ATOM 3975 HD22 LEU 250 42.204 32.988 6.050 1.00 0.00 -ATOM 3976 HD23 LEU 250 41.892 31.839 7.373 1.00 0.00 -ATOM 3977 C LEU 250 37.101 33.381 6.672 1.00 0.00 -ATOM 3978 O LEU 250 37.191 34.605 6.610 1.00 0.00 -ATOM 3979 N ARG 251 36.369 32.666 5.799 1.00 0.00 -ATOM 3980 H ARG 251 36.389 31.661 5.902 1.00 0.00 -ATOM 3981 CA ARG 251 35.579 33.237 4.704 1.00 0.00 -ATOM 3982 HA ARG 251 36.192 33.916 4.111 1.00 0.00 -ATOM 3983 CB ARG 251 35.068 32.104 3.786 1.00 0.00 -ATOM 3984 HB2 ARG 251 34.692 31.316 4.438 1.00 0.00 -ATOM 3985 HB3 ARG 251 34.244 32.517 3.204 1.00 0.00 -ATOM 3986 CG ARG 251 36.128 31.519 2.832 1.00 0.00 -ATOM 3987 HG2 ARG 251 36.967 31.204 3.452 1.00 0.00 -ATOM 3988 HG3 ARG 251 35.677 30.645 2.362 1.00 0.00 -ATOM 3989 CD ARG 251 36.629 32.486 1.744 1.00 0.00 -ATOM 3990 HD2 ARG 251 37.249 33.248 2.215 1.00 0.00 -ATOM 3991 HD3 ARG 251 37.228 31.923 1.028 1.00 0.00 -ATOM 3992 NE ARG 251 35.534 33.149 1.024 1.00 0.00 -ATOM 3993 HE ARG 251 35.400 34.122 1.257 1.00 0.00 -ATOM 3994 CZ ARG 251 34.726 32.593 0.107 1.00 0.00 -ATOM 3995 NH1 ARG 251 34.865 31.315 -0.274 1.00 0.00 -ATOM 3996 HH11 ARG 251 35.594 30.746 0.133 1.00 0.00 -ATOM 3997 HH12 ARG 251 34.240 30.927 -0.966 1.00 0.00 -ATOM 3998 NH2 ARG 251 33.754 33.336 -0.432 1.00 0.00 -ATOM 3999 HH21 ARG 251 33.640 34.298 -0.146 1.00 0.00 -ATOM 4000 HH22 ARG 251 33.138 32.932 -1.123 1.00 0.00 -ATOM 4001 C ARG 251 34.377 34.052 5.210 1.00 0.00 -ATOM 4002 O ARG 251 34.089 35.110 4.651 1.00 0.00 -ATOM 4003 N LEU 252 33.708 33.583 6.277 1.00 0.00 -ATOM 4004 H LEU 252 34.025 32.699 6.649 1.00 0.00 -ATOM 4005 CA LEU 252 32.564 34.233 6.914 1.00 0.00 -ATOM 4006 HA LEU 252 31.812 34.502 6.172 1.00 0.00 -ATOM 4007 CB LEU 252 31.931 33.246 7.925 1.00 0.00 -ATOM 4008 HB2 LEU 252 32.788 32.795 8.426 1.00 0.00 -ATOM 4009 HB3 LEU 252 31.337 33.801 8.651 1.00 0.00 -ATOM 4010 CG LEU 252 31.065 32.138 7.291 1.00 0.00 -ATOM 4011 HG LEU 252 31.586 31.727 6.426 1.00 0.00 -ATOM 4012 CD1 LEU 252 30.809 31.021 8.311 1.00 0.00 -ATOM 4013 HD11 LEU 252 30.288 31.431 9.176 1.00 0.00 -ATOM 4014 HD12 LEU 252 30.197 30.244 7.854 1.00 0.00 -ATOM 4015 HD13 LEU 252 31.760 30.594 8.629 1.00 0.00 -ATOM 4016 CD2 LEU 252 29.735 32.680 6.742 1.00 0.00 -ATOM 4017 HD21 LEU 252 29.936 33.430 5.977 1.00 0.00 -ATOM 4018 HD22 LEU 252 29.161 31.862 6.306 1.00 0.00 -ATOM 4019 HD23 LEU 252 29.164 33.132 7.553 1.00 0.00 -ATOM 4020 C LEU 252 32.969 35.525 7.645 1.00 0.00 -ATOM 4021 O LEU 252 32.308 36.549 7.471 1.00 0.00 -ATOM 4022 N LEU 253 34.062 35.491 8.427 1.00 0.00 -ATOM 4023 H LEU 253 34.557 34.613 8.491 1.00 0.00 -ATOM 4024 CA LEU 253 34.562 36.628 9.202 1.00 0.00 -ATOM 4025 HA LEU 253 33.745 37.107 9.741 1.00 0.00 -ATOM 4026 CB LEU 253 35.607 36.132 10.228 1.00 0.00 -ATOM 4027 HB2 LEU 253 36.266 35.490 9.644 1.00 0.00 -ATOM 4028 HB3 LEU 253 36.171 36.988 10.600 1.00 0.00 -ATOM 4029 CG LEU 253 35.036 35.334 11.421 1.00 0.00 -ATOM 4030 HG LEU 253 34.354 34.569 11.050 1.00 0.00 -ATOM 4031 CD1 LEU 253 36.182 34.665 12.196 1.00 0.00 -ATOM 4032 HD11 LEU 253 36.865 35.429 12.568 1.00 0.00 -ATOM 4033 HD12 LEU 253 35.774 34.103 13.036 1.00 0.00 -ATOM 4034 HD13 LEU 253 36.722 33.987 11.535 1.00 0.00 -ATOM 4035 CD2 LEU 253 34.194 36.213 12.363 1.00 0.00 -ATOM 4036 HD21 LEU 253 33.356 36.639 11.811 1.00 0.00 -ATOM 4037 HD22 LEU 253 33.815 35.606 13.185 1.00 0.00 -ATOM 4038 HD23 LEU 253 34.813 37.017 12.761 1.00 0.00 -ATOM 4039 C LEU 253 35.212 37.713 8.324 1.00 0.00 -ATOM 4040 O LEU 253 35.133 38.888 8.682 1.00 0.00 -ATOM 4041 N LYS 254 35.813 37.348 7.175 1.00 0.00 -ATOM 4042 H LYS 254 35.856 36.362 6.961 1.00 0.00 -ATOM 4043 CA LYS 254 36.398 38.292 6.219 1.00 0.00 -ATOM 4044 HA LYS 254 36.996 39.034 6.748 1.00 0.00 -ATOM 4045 CB LYS 254 37.310 37.543 5.220 1.00 0.00 -ATOM 4046 HB2 LYS 254 36.873 36.560 5.043 1.00 0.00 -ATOM 4047 HB3 LYS 254 37.319 38.109 4.289 1.00 0.00 -ATOM 4048 CG LYS 254 38.748 37.379 5.733 1.00 0.00 -ATOM 4049 HG2 LYS 254 39.095 38.367 6.037 1.00 0.00 -ATOM 4050 HG3 LYS 254 38.705 36.726 6.604 1.00 0.00 -ATOM 4051 CD LYS 254 39.719 36.791 4.700 1.00 0.00 -ATOM 4052 HD2 LYS 254 40.642 36.538 5.222 1.00 0.00 -ATOM 4053 HD3 LYS 254 39.267 35.883 4.301 1.00 0.00 -ATOM 4054 CE LYS 254 40.032 37.758 3.544 1.00 0.00 -ATOM 4055 HE2 LYS 254 39.094 38.022 3.056 1.00 0.00 -ATOM 4056 HE3 LYS 254 40.488 38.655 3.963 1.00 0.00 -ATOM 4057 NZ LYS 254 40.943 37.161 2.561 1.00 0.00 -ATOM 4058 HZ1 LYS 254 40.521 36.330 2.172 1.00 0.00 -ATOM 4059 HZ2 LYS 254 41.123 37.825 1.822 1.00 0.00 -ATOM 4060 HZ3 LYS 254 41.813 36.917 3.013 1.00 0.00 -ATOM 4061 C LYS 254 35.338 39.037 5.393 1.00 0.00 -ATOM 4062 O LYS 254 35.575 40.183 5.009 1.00 0.00 -ATOM 4063 N HIE 255 34.197 38.392 5.099 1.00 0.00 -ATOM 4064 H HIE 255 34.055 37.468 5.482 1.00 0.00 -ATOM 4065 CA HIE 255 33.167 38.944 4.226 1.00 0.00 -ATOM 4066 HA HIE 255 33.618 39.482 3.392 1.00 0.00 -ATOM 4067 CB HIE 255 32.319 37.788 3.664 1.00 0.00 -ATOM 4068 HB2 HIE 255 32.992 37.114 3.133 1.00 0.00 -ATOM 4069 HB3 HIE 255 31.785 37.233 4.435 1.00 0.00 -ATOM 4070 CG HIE 255 31.285 38.242 2.664 1.00 0.00 -ATOM 4071 ND1 HIE 255 29.929 38.313 2.981 1.00 0.00 -ATOM 4072 CE1 HIE 255 29.357 38.838 1.909 1.00 0.00 -ATOM 4073 HE1 HIE 255 28.283 39.011 1.979 1.00 0.00 -ATOM 4074 NE2 HIE 255 30.217 39.065 0.916 1.00 0.00 -ATOM 4075 HE2 HIE 255 30.022 39.430 -0.005 1.00 0.00 -ATOM 4076 CD2 HIE 255 31.469 38.703 1.376 1.00 0.00 -ATOM 4077 HD2 HIE 255 32.340 38.817 0.731 1.00 0.00 -ATOM 4078 C HIE 255 32.255 39.947 4.956 1.00 0.00 -ATOM 4079 O HIE 255 31.812 40.909 4.328 1.00 0.00 -ATOM 4080 N MET 256 31.975 39.740 6.255 1.00 0.00 -ATOM 4081 H MET 256 32.417 38.966 6.731 1.00 0.00 -ATOM 4082 CA MET 256 31.044 40.576 7.008 1.00 0.00 -ATOM 4083 HA MET 256 30.197 40.849 6.378 1.00 0.00 -ATOM 4084 CB MET 256 30.517 39.815 8.237 1.00 0.00 -ATOM 4085 HB2 MET 256 31.387 39.463 8.792 1.00 0.00 -ATOM 4086 HB3 MET 256 29.965 40.532 8.844 1.00 0.00 -ATOM 4087 CG MET 256 29.606 38.621 7.900 1.00 0.00 -ATOM 4088 HG2 MET 256 30.143 38.078 7.122 1.00 0.00 -ATOM 4089 HG3 MET 256 29.588 38.025 8.812 1.00 0.00 -ATOM 4090 SD MET 256 27.906 38.921 7.351 1.00 0.00 -ATOM 4091 CE MET 256 28.106 38.872 5.555 1.00 0.00 -ATOM 4092 HE1 MET 256 28.492 37.897 5.258 1.00 0.00 -ATOM 4093 HE2 MET 256 27.141 39.041 5.077 1.00 0.00 -ATOM 4094 HE3 MET 256 28.805 39.649 5.245 1.00 0.00 -ATOM 4095 C MET 256 31.726 41.869 7.476 1.00 0.00 -ATOM 4096 O MET 256 32.746 41.840 8.166 1.00 0.00 -ATOM 4097 N LYS 257 31.132 42.998 7.071 1.00 0.00 -ATOM 4098 H LYS 257 30.290 42.838 6.537 1.00 0.00 -ATOM 4099 CA LYS 257 31.591 44.370 7.243 1.00 0.00 -ATOM 4100 HA LYS 257 32.302 44.432 8.066 1.00 0.00 -ATOM 4101 CB LYS 257 32.292 44.841 5.948 1.00 0.00 -ATOM 4102 HB2 LYS 257 31.602 44.634 5.130 1.00 0.00 -ATOM 4103 HB3 LYS 257 32.428 45.918 6.044 1.00 0.00 -ATOM 4104 CG LYS 257 33.648 44.178 5.654 1.00 0.00 -ATOM 4105 HG2 LYS 257 34.377 44.542 6.378 1.00 0.00 -ATOM 4106 HG3 LYS 257 33.538 43.099 5.762 1.00 0.00 -ATOM 4107 CD LYS 257 34.130 44.503 4.235 1.00 0.00 -ATOM 4108 HD2 LYS 257 33.408 44.084 3.534 1.00 0.00 -ATOM 4109 HD3 LYS 257 34.150 45.588 4.130 1.00 0.00 -ATOM 4110 CE LYS 257 35.521 43.936 3.935 1.00 0.00 -ATOM 4111 HE2 LYS 257 36.249 44.435 4.575 1.00 0.00 -ATOM 4112 HE3 LYS 257 35.519 42.868 4.153 1.00 0.00 -ATOM 4113 NZ LYS 257 35.882 44.148 2.523 1.00 0.00 -ATOM 4114 HZ1 LYS 257 35.884 45.138 2.321 1.00 0.00 -ATOM 4115 HZ2 LYS 257 36.801 43.767 2.350 1.00 0.00 -ATOM 4116 HZ3 LYS 257 35.208 43.685 1.930 1.00 0.00 -ATOM 4117 C LYS 257 30.381 45.235 7.632 1.00 0.00 -ATOM 4118 O LYS 257 29.896 46.028 6.824 1.00 0.00 -ATOM 4119 N HIE 258 29.869 45.041 8.858 1.00 0.00 -ATOM 4120 H HIE 258 30.313 44.318 9.406 1.00 0.00 -ATOM 4121 CA HIE 258 28.658 45.669 9.389 1.00 0.00 -ATOM 4122 HA HIE 258 28.525 46.662 8.960 1.00 0.00 -ATOM 4123 CB HIE 258 27.437 44.807 9.021 1.00 0.00 -ATOM 4124 HB2 HIE 258 27.440 44.610 7.949 1.00 0.00 -ATOM 4125 HB3 HIE 258 27.518 43.865 9.563 1.00 0.00 -ATOM 4126 CG HIE 258 26.082 45.378 9.350 1.00 0.00 -ATOM 4127 ND1 HIE 258 25.522 45.325 10.629 1.00 0.00 -ATOM 4128 CE1 HIE 258 24.353 45.937 10.514 1.00 0.00 -ATOM 4129 HE1 HIE 258 23.765 46.013 11.429 1.00 0.00 -ATOM 4130 NE2 HIE 258 24.101 46.359 9.275 1.00 0.00 -ATOM 4131 HE2 HIE 258 23.286 46.848 8.934 1.00 0.00 -ATOM 4132 CD2 HIE 258 25.190 45.999 8.504 1.00 0.00 -ATOM 4133 HD2 HIE 258 25.203 46.228 7.438 1.00 0.00 -ATOM 4134 C HIE 258 28.807 45.966 10.885 1.00 0.00 -ATOM 4135 O HIE 258 29.472 45.222 11.605 1.00 0.00 -ATOM 4136 N GLU 259 28.163 47.048 11.353 1.00 0.00 -ATOM 4137 H GLU 259 27.593 47.542 10.682 1.00 0.00 -ATOM 4138 CA GLU 259 28.222 47.560 12.726 1.00 0.00 -ATOM 4139 HA GLU 259 29.254 47.744 13.025 1.00 0.00 -ATOM 4140 CB GLU 259 27.447 48.890 12.788 1.00 0.00 -ATOM 4141 HB2 GLU 259 26.467 48.715 12.344 1.00 0.00 -ATOM 4142 HB3 GLU 259 27.328 49.147 13.841 1.00 0.00 -ATOM 4143 CG GLU 259 28.143 50.049 12.053 1.00 0.00 -ATOM 4144 HG2 GLU 259 29.134 50.184 12.487 1.00 0.00 -ATOM 4145 HG3 GLU 259 28.242 49.762 11.006 1.00 0.00 -ATOM 4146 CD GLU 259 27.361 51.360 12.150 1.00 0.00 -ATOM 4147 OE1 GLU 259 28.026 52.415 12.220 1.00 0.00 -ATOM 4148 OE2 GLU 259 26.111 51.296 12.144 1.00 0.00 -ATOM 4149 C GLU 259 27.615 46.616 13.778 1.00 0.00 -ATOM 4150 O GLU 259 28.029 46.679 14.935 1.00 0.00 -ATOM 4151 N ASN 260 26.655 45.758 13.392 1.00 0.00 -ATOM 4152 H ASN 260 26.370 45.814 12.425 1.00 0.00 -ATOM 4153 CA ASN 260 25.929 44.843 14.279 1.00 0.00 -ATOM 4154 HA ASN 260 26.277 44.981 15.303 1.00 0.00 -ATOM 4155 CB ASN 260 24.404 45.103 14.236 1.00 0.00 -ATOM 4156 HB2 ASN 260 24.022 44.804 13.260 1.00 0.00 -ATOM 4157 HB3 ASN 260 23.961 44.473 15.008 1.00 0.00 -ATOM 4158 CG ASN 260 23.997 46.555 14.497 1.00 0.00 -ATOM 4159 OD1 ASN 260 23.258 47.143 13.712 1.00 0.00 -ATOM 4160 ND2 ASN 260 24.448 47.129 15.613 1.00 0.00 -ATOM 4161 HD21 ASN 260 24.201 48.086 15.820 1.00 0.00 -ATOM 4162 HD22 ASN 260 25.035 46.604 16.246 1.00 0.00 -ATOM 4163 C ASN 260 26.249 43.373 13.978 1.00 0.00 -ATOM 4164 O ASN 260 25.466 42.487 14.315 1.00 0.00 -ATOM 4165 N VAL 261 27.415 43.113 13.373 1.00 0.00 -ATOM 4166 H VAL 261 27.917 43.928 13.052 1.00 0.00 -ATOM 4167 CA VAL 261 27.953 41.796 13.047 1.00 0.00 -ATOM 4168 HA VAL 261 27.554 41.004 13.681 1.00 0.00 -ATOM 4169 CB VAL 261 27.649 41.445 11.562 1.00 0.00 -ATOM 4170 HB VAL 261 28.155 42.176 10.931 1.00 0.00 -ATOM 4171 CG1 VAL 261 28.122 40.036 11.190 1.00 0.00 -ATOM 4172 HG11 VAL 261 27.616 39.304 11.820 1.00 0.00 -ATOM 4173 HG12 VAL 261 27.888 39.838 10.144 1.00 0.00 -ATOM 4174 HG13 VAL 261 29.199 39.962 11.341 1.00 0.00 -ATOM 4175 CG2 VAL 261 26.158 41.582 11.196 1.00 0.00 -ATOM 4176 HG21 VAL 261 25.835 42.610 11.363 1.00 0.00 -ATOM 4177 HG22 VAL 261 26.016 41.323 10.147 1.00 0.00 -ATOM 4178 HG23 VAL 261 25.567 40.911 11.819 1.00 0.00 -ATOM 4179 C VAL 261 29.445 41.809 13.412 1.00 0.00 -ATOM 4180 O VAL 261 30.098 42.843 13.258 1.00 0.00 -ATOM 4181 N ILE 262 30.000 40.678 13.887 1.00 0.00 -ATOM 4182 H ILE 262 29.388 39.916 14.143 1.00 0.00 -ATOM 4183 CA ILE 262 31.432 40.550 14.182 1.00 0.00 -ATOM 4184 HA ILE 262 31.892 41.429 14.634 1.00 0.00 -ATOM 4185 CB ILE 262 31.709 39.302 15.074 1.00 0.00 -ATOM 4186 HB ILE 262 31.034 39.387 15.926 1.00 0.00 -ATOM 4187 CG2 ILE 262 31.520 37.924 14.404 1.00 0.00 -ATOM 4188 HG21 ILE 262 32.195 37.838 13.552 1.00 0.00 -ATOM 4189 HG22 ILE 262 31.742 37.136 15.124 1.00 0.00 -ATOM 4190 HG23 ILE 262 30.490 37.824 14.062 1.00 0.00 -ATOM 4191 CG1 ILE 262 33.091 39.405 15.747 1.00 0.00 -ATOM 4192 HG12 ILE 262 33.843 39.313 14.963 1.00 0.00 -ATOM 4193 HG13 ILE 262 33.160 40.393 16.202 1.00 0.00 -ATOM 4194 CD1 ILE 262 33.334 38.332 16.817 1.00 0.00 -ATOM 4195 HD11 ILE 262 33.266 37.343 16.363 1.00 0.00 -ATOM 4196 HD12 ILE 262 34.326 38.466 17.248 1.00 0.00 -ATOM 4197 HD13 ILE 262 32.583 38.423 17.601 1.00 0.00 -ATOM 4198 C ILE 262 32.246 40.566 12.867 1.00 0.00 -ATOM 4199 O ILE 262 31.911 39.880 11.899 1.00 0.00 -ATOM 4200 N GLY 263 33.284 41.410 12.838 1.00 0.00 -ATOM 4201 H GLY 263 33.455 41.911 13.698 1.00 0.00 -ATOM 4202 CA GLY 263 34.165 41.662 11.704 1.00 0.00 -ATOM 4203 HA2 GLY 263 33.909 40.986 10.888 1.00 0.00 -ATOM 4204 HA3 GLY 263 34.043 42.693 11.372 1.00 0.00 -ATOM 4205 C GLY 263 35.621 41.436 12.097 1.00 0.00 -ATOM 4206 O GLY 263 36.031 41.769 13.210 1.00 0.00 -ATOM 4207 N LEU 264 36.403 40.885 11.161 1.00 0.00 -ATOM 4208 H LEU 264 35.976 40.728 10.259 1.00 0.00 -ATOM 4209 CA LEU 264 37.802 40.514 11.337 1.00 0.00 -ATOM 4210 HA LEU 264 37.982 40.047 12.305 1.00 0.00 -ATOM 4211 CB LEU 264 38.111 39.483 10.225 1.00 0.00 -ATOM 4212 HB2 LEU 264 37.240 38.828 10.206 1.00 0.00 -ATOM 4213 HB3 LEU 264 38.162 40.046 9.293 1.00 0.00 -ATOM 4214 CG LEU 264 39.388 38.635 10.383 1.00 0.00 -ATOM 4215 HG LEU 264 40.229 39.318 10.502 1.00 0.00 -ATOM 4216 CD1 LEU 264 39.326 37.684 11.590 1.00 0.00 -ATOM 4217 HD11 LEU 264 38.485 37.000 11.472 1.00 0.00 -ATOM 4218 HD12 LEU 264 40.252 37.113 11.651 1.00 0.00 -ATOM 4219 HD13 LEU 264 39.197 38.264 12.504 1.00 0.00 -ATOM 4220 CD2 LEU 264 39.594 37.809 9.107 1.00 0.00 -ATOM 4221 HD21 LEU 264 39.699 38.478 8.253 1.00 0.00 -ATOM 4222 HD22 LEU 264 40.495 37.204 9.207 1.00 0.00 -ATOM 4223 HD23 LEU 264 38.734 37.157 8.953 1.00 0.00 -ATOM 4224 C LEU 264 38.679 41.770 11.178 1.00 0.00 -ATOM 4225 O LEU 264 38.745 42.355 10.096 1.00 0.00 -ATOM 4226 N LEU 265 39.346 42.184 12.267 1.00 0.00 -ATOM 4227 H LEU 265 39.198 41.663 13.119 1.00 0.00 -ATOM 4228 CA LEU 265 40.294 43.300 12.291 1.00 0.00 -ATOM 4229 HA LEU 265 39.903 44.137 11.713 1.00 0.00 -ATOM 4230 CB LEU 265 40.515 43.766 13.748 1.00 0.00 -ATOM 4231 HB2 LEU 265 40.684 42.844 14.305 1.00 0.00 -ATOM 4232 HB3 LEU 265 41.419 44.374 13.769 1.00 0.00 -ATOM 4233 CG LEU 265 39.355 44.549 14.392 1.00 0.00 -ATOM 4234 HG LEU 265 38.448 43.946 14.357 1.00 0.00 -ATOM 4235 CD1 LEU 265 39.698 44.872 15.853 1.00 0.00 -ATOM 4236 HD11 LEU 265 40.605 45.475 15.889 1.00 0.00 -ATOM 4237 HD12 LEU 265 38.876 45.426 16.306 1.00 0.00 -ATOM 4238 HD13 LEU 265 39.857 43.944 16.403 1.00 0.00 -ATOM 4239 CD2 LEU 265 39.041 45.848 13.632 1.00 0.00 -ATOM 4240 HD21 LEU 265 38.761 45.610 12.606 1.00 0.00 -ATOM 4241 HD22 LEU 265 38.217 46.366 14.122 1.00 0.00 -ATOM 4242 HD23 LEU 265 39.922 46.490 13.628 1.00 0.00 -ATOM 4243 C LEU 265 41.662 42.866 11.747 1.00 0.00 -ATOM 4244 O LEU 265 42.326 43.656 11.076 1.00 0.00 -ATOM 4245 N ASP 266 42.071 41.618 12.026 1.00 0.00 -ATOM 4246 H ASP 266 41.532 41.128 12.726 1.00 0.00 -ATOM 4247 CA ASP 266 43.312 41.013 11.561 1.00 0.00 -ATOM 4248 HA ASP 266 43.464 41.251 10.508 1.00 0.00 -ATOM 4249 CB ASP 266 44.522 41.548 12.369 1.00 0.00 -ATOM 4250 HB2 ASP 266 44.371 42.627 12.413 1.00 0.00 -ATOM 4251 HB3 ASP 266 44.454 41.131 13.374 1.00 0.00 -ATOM 4252 CG ASP 266 45.908 41.249 11.784 1.00 0.00 -ATOM 4253 OD1 ASP 266 46.858 41.173 12.594 1.00 0.00 -ATOM 4254 OD2 ASP 266 46.017 41.133 10.543 1.00 0.00 -ATOM 4255 C ASP 266 43.187 39.486 11.487 1.00 0.00 -ATOM 4256 O ASP 266 42.392 38.882 12.206 1.00 0.00 -ATOM 4257 N VAL 267 44.015 38.871 10.638 1.00 0.00 -ATOM 4258 H VAL 267 44.353 39.440 9.875 1.00 0.00 -ATOM 4259 CA VAL 267 44.300 37.444 10.613 1.00 0.00 -ATOM 4260 HA VAL 267 44.329 36.995 11.606 1.00 0.00 -ATOM 4261 CB VAL 267 43.311 36.640 9.735 1.00 0.00 -ATOM 4262 HB VAL 267 42.324 36.711 10.192 1.00 0.00 -ATOM 4263 CG1 VAL 267 43.244 37.159 8.288 1.00 0.00 -ATOM 4264 HG11 VAL 267 44.230 37.088 7.830 1.00 0.00 -ATOM 4265 HG12 VAL 267 42.535 36.558 7.718 1.00 0.00 -ATOM 4266 HG13 VAL 267 42.919 38.199 8.289 1.00 0.00 -ATOM 4267 CG2 VAL 267 43.601 35.129 9.762 1.00 0.00 -ATOM 4268 HG21 VAL 267 43.520 34.761 10.785 1.00 0.00 -ATOM 4269 HG22 VAL 267 42.880 34.609 9.131 1.00 0.00 -ATOM 4270 HG23 VAL 267 44.609 34.945 9.389 1.00 0.00 -ATOM 4271 C VAL 267 45.780 37.261 10.286 1.00 0.00 -ATOM 4272 O VAL 267 46.299 37.896 9.367 1.00 0.00 -ATOM 4273 N PHE 268 46.447 36.387 11.049 1.00 0.00 -ATOM 4274 H PHE 268 45.940 35.985 11.825 1.00 0.00 -ATOM 4275 CA PHE 268 47.879 36.155 10.968 1.00 0.00 -ATOM 4276 HA PHE 268 48.210 36.253 9.934 1.00 0.00 -ATOM 4277 CB PHE 268 48.647 37.183 11.832 1.00 0.00 -ATOM 4278 HB2 PHE 268 49.718 37.071 11.663 1.00 0.00 -ATOM 4279 HB3 PHE 268 48.335 38.184 11.534 1.00 0.00 -ATOM 4280 CG PHE 268 48.432 37.090 13.335 1.00 0.00 -ATOM 4281 CD1 PHE 268 49.129 36.126 14.092 1.00 0.00 -ATOM 4282 HD1 PHE 268 49.809 35.436 13.593 1.00 0.00 -ATOM 4283 CE1 PHE 268 48.949 36.053 15.485 1.00 0.00 -ATOM 4284 HE1 PHE 268 49.494 35.308 16.065 1.00 0.00 -ATOM 4285 CZ PHE 268 48.067 36.940 16.130 1.00 0.00 -ATOM 4286 HZ PHE 268 47.924 36.882 17.209 1.00 0.00 -ATOM 4287 CE2 PHE 268 47.369 37.902 15.379 1.00 0.00 -ATOM 4288 HE2 PHE 268 46.689 38.592 15.879 1.00 0.00 -ATOM 4289 CD2 PHE 268 47.546 37.976 13.984 1.00 0.00 -ATOM 4290 HD2 PHE 268 46.998 38.719 13.404 1.00 0.00 -ATOM 4291 C PHE 268 48.256 34.693 11.206 1.00 0.00 -ATOM 4292 O PHE 268 47.482 33.897 11.740 1.00 0.00 -ATOM 4293 N THR 269 49.496 34.387 10.818 1.00 0.00 -ATOM 4294 H THR 269 49.928 35.090 10.235 1.00 0.00 -ATOM 4295 CA THR 269 50.210 33.141 11.038 1.00 0.00 -ATOM 4296 HA THR 269 49.900 32.679 11.975 1.00 0.00 -ATOM 4297 CB THR 269 49.928 32.150 9.880 1.00 0.00 -ATOM 4298 HB THR 269 48.850 31.993 9.859 1.00 0.00 -ATOM 4299 CG2 THR 269 50.406 32.618 8.492 1.00 0.00 -ATOM 4300 HG21 THR 269 51.484 32.775 8.512 1.00 0.00 -ATOM 4301 HG22 THR 269 50.164 31.858 7.749 1.00 0.00 -ATOM 4302 HG23 THR 269 49.908 33.552 8.232 1.00 0.00 -ATOM 4303 OG1 THR 269 50.556 30.912 10.140 1.00 0.00 -ATOM 4304 HG1 THR 269 50.377 30.304 9.419 1.00 0.00 -ATOM 4305 C THR 269 51.695 33.487 11.255 1.00 0.00 -ATOM 4306 O THR 269 52.197 34.369 10.557 1.00 0.00 -ATOM 4307 N PRO 270 52.431 32.797 12.154 1.00 0.00 -ATOM 4308 CD PRO 270 51.918 31.827 13.125 1.00 0.00 -ATOM 4309 HD2 PRO 270 51.367 31.060 12.580 1.00 0.00 -ATOM 4310 HD3 PRO 270 51.241 32.349 13.801 1.00 0.00 -ATOM 4311 CG PRO 270 53.145 31.268 13.846 1.00 0.00 -ATOM 4312 HG2 PRO 270 53.450 30.322 13.400 1.00 0.00 -ATOM 4313 HG3 PRO 270 52.929 31.118 14.904 1.00 0.00 -ATOM 4314 CB PRO 270 54.206 32.339 13.656 1.00 0.00 -ATOM 4315 HB2 PRO 270 55.204 31.902 13.639 1.00 0.00 -ATOM 4316 HB3 PRO 270 54.157 33.100 14.435 1.00 0.00 -ATOM 4317 CA PRO 270 53.887 32.964 12.292 1.00 0.00 -ATOM 4318 HA PRO 270 54.094 34.034 12.300 1.00 0.00 -ATOM 4319 C PRO 270 54.695 32.293 11.161 1.00 0.00 -ATOM 4320 O PRO 270 55.906 32.496 11.080 1.00 0.00 -ATOM 4321 N ALA 271 54.028 31.530 10.279 1.00 0.00 -ATOM 4322 H ALA 271 53.030 31.471 10.421 1.00 0.00 -ATOM 4323 CA ALA 271 54.605 30.833 9.140 1.00 0.00 -ATOM 4324 HA ALA 271 55.523 30.300 9.389 1.00 0.00 -ATOM 4325 CB ALA 271 53.564 29.817 8.660 1.00 0.00 -ATOM 4326 HB1 ALA 271 52.642 30.337 8.398 1.00 0.00 -ATOM 4327 HB2 ALA 271 53.945 29.291 7.785 1.00 0.00 -ATOM 4328 HB3 ALA 271 53.363 29.099 9.455 1.00 0.00 -ATOM 4329 C ALA 271 54.898 31.794 7.982 1.00 0.00 -ATOM 4330 O ALA 271 54.057 32.619 7.626 1.00 0.00 -ATOM 4331 N ARG 272 56.092 31.658 7.391 1.00 0.00 -ATOM 4332 H ARG 272 56.685 30.933 7.770 1.00 0.00 -ATOM 4333 CA ARG 272 56.586 32.433 6.250 1.00 0.00 -ATOM 4334 HA ARG 272 56.175 33.443 6.254 1.00 0.00 -ATOM 4335 CB ARG 272 58.124 32.525 6.370 1.00 0.00 -ATOM 4336 HB2 ARG 272 58.515 31.507 6.370 1.00 0.00 -ATOM 4337 HB3 ARG 272 58.491 33.054 5.490 1.00 0.00 -ATOM 4338 CG ARG 272 58.594 33.254 7.639 1.00 0.00 -ATOM 4339 HG2 ARG 272 58.148 34.249 7.641 1.00 0.00 -ATOM 4340 HG3 ARG 272 58.235 32.694 8.502 1.00 0.00 -ATOM 4341 CD ARG 272 60.119 33.378 7.709 1.00 0.00 -ATOM 4342 HD2 ARG 272 60.563 32.383 7.732 1.00 0.00 -ATOM 4343 HD3 ARG 272 60.480 33.916 6.832 1.00 0.00 -ATOM 4344 NE ARG 272 60.537 34.109 8.915 1.00 0.00 -ATOM 4345 HE ARG 272 60.502 33.574 9.771 1.00 0.00 -ATOM 4346 CZ ARG 272 60.950 35.387 8.974 1.00 0.00 -ATOM 4347 NH1 ARG 272 60.977 36.170 7.885 1.00 0.00 -ATOM 4348 HH11 ARG 272 60.682 35.800 6.993 1.00 0.00 -ATOM 4349 HH12 ARG 272 61.293 37.126 7.962 1.00 0.00 -ATOM 4350 NH2 ARG 272 61.343 35.894 10.150 1.00 0.00 -ATOM 4351 HH21 ARG 272 61.326 35.315 10.977 1.00 0.00 -ATOM 4352 HH22 ARG 272 61.655 36.853 10.204 1.00 0.00 -ATOM 4353 C ARG 272 56.261 31.763 4.896 1.00 0.00 -ATOM 4354 O ARG 272 56.518 32.363 3.853 1.00 0.00 -ATOM 4355 N SER 273 55.703 30.541 4.906 1.00 0.00 -ATOM 4356 H SER 273 55.624 30.117 5.819 1.00 0.00 -ATOM 4357 CA SER 273 55.361 29.734 3.735 1.00 0.00 -ATOM 4358 HA SER 273 54.978 30.374 2.940 1.00 0.00 -ATOM 4359 CB SER 273 56.615 28.996 3.214 1.00 0.00 -ATOM 4360 HB2 SER 273 56.391 28.607 2.221 1.00 0.00 -ATOM 4361 HB3 SER 273 57.429 29.718 3.146 1.00 0.00 -ATOM 4362 OG SER 273 57.001 27.929 4.062 1.00 0.00 -ATOM 4363 HG SER 273 57.781 27.500 3.702 1.00 0.00 -ATOM 4364 C SER 273 54.158 28.820 4.021 1.00 0.00 -ATOM 4365 O SER 273 53.801 28.604 5.180 1.00 0.00 -ATOM 4366 N LEU 274 53.564 28.250 2.958 1.00 0.00 -ATOM 4367 H LEU 274 53.871 28.579 2.054 1.00 0.00 -ATOM 4368 CA LEU 274 52.512 27.227 3.006 1.00 0.00 -ATOM 4369 HA LEU 274 51.683 27.550 3.636 1.00 0.00 -ATOM 4370 CB LEU 274 51.984 27.008 1.566 1.00 0.00 -ATOM 4371 HB2 LEU 274 51.592 27.991 1.305 1.00 0.00 -ATOM 4372 HB3 LEU 274 52.822 26.766 0.912 1.00 0.00 -ATOM 4373 CG LEU 274 50.870 25.945 1.392 1.00 0.00 -ATOM 4374 HG LEU 274 51.254 24.990 1.751 1.00 0.00 -ATOM 4375 CD1 LEU 274 49.595 26.308 2.167 1.00 0.00 -ATOM 4376 HD11 LEU 274 49.210 27.263 1.808 1.00 0.00 -ATOM 4377 HD12 LEU 274 48.843 25.533 2.014 1.00 0.00 -ATOM 4378 HD13 LEU 274 49.825 26.386 3.230 1.00 0.00 -ATOM 4379 CD2 LEU 274 50.557 25.722 -0.095 1.00 0.00 -ATOM 4380 HD21 LEU 274 51.455 25.377 -0.608 1.00 0.00 -ATOM 4381 HD22 LEU 274 49.772 24.972 -0.193 1.00 0.00 -ATOM 4382 HD23 LEU 274 50.222 26.658 -0.541 1.00 0.00 -ATOM 4383 C LEU 274 53.032 25.893 3.580 1.00 0.00 -ATOM 4384 O LEU 274 52.278 25.157 4.215 1.00 0.00 -ATOM 4385 N GLU 275 54.325 25.600 3.370 1.00 0.00 -ATOM 4386 H GLU 275 54.855 26.317 2.896 1.00 0.00 -ATOM 4387 CA GLU 275 55.015 24.372 3.761 1.00 0.00 -ATOM 4388 HA GLU 275 54.431 23.493 3.488 1.00 0.00 -ATOM 4389 CB GLU 275 56.371 24.318 3.011 1.00 0.00 -ATOM 4390 HB2 GLU 275 56.840 25.293 3.147 1.00 0.00 -ATOM 4391 HB3 GLU 275 56.970 23.555 3.508 1.00 0.00 -ATOM 4392 CG GLU 275 56.278 23.997 1.499 1.00 0.00 -ATOM 4393 HG2 GLU 275 57.301 23.809 1.172 1.00 0.00 -ATOM 4394 HG3 GLU 275 55.694 23.081 1.409 1.00 0.00 -ATOM 4395 CD GLU 275 55.653 25.091 0.621 1.00 0.00 -ATOM 4396 OE1 GLU 275 55.899 26.286 0.901 1.00 0.00 -ATOM 4397 OE2 GLU 275 54.923 24.709 -0.319 1.00 0.00 -ATOM 4398 C GLU 275 55.289 24.321 5.278 1.00 0.00 -ATOM 4399 O GLU 275 55.508 23.234 5.813 1.00 0.00 -ATOM 4400 N GLU 276 55.238 25.476 5.963 1.00 0.00 -ATOM 4401 H GLU 276 55.154 26.299 5.383 1.00 0.00 -ATOM 4402 CA GLU 276 55.442 25.658 7.400 1.00 0.00 -ATOM 4403 HA GLU 276 55.571 24.700 7.903 1.00 0.00 -ATOM 4404 CB GLU 276 56.733 26.497 7.593 1.00 0.00 -ATOM 4405 HB2 GLU 276 57.206 26.128 8.503 1.00 0.00 -ATOM 4406 HB3 GLU 276 57.372 26.279 6.738 1.00 0.00 -ATOM 4407 CG GLU 276 56.525 28.020 7.703 1.00 0.00 -ATOM 4408 HG2 GLU 276 55.860 28.272 6.877 1.00 0.00 -ATOM 4409 HG3 GLU 276 56.036 28.258 8.648 1.00 0.00 -ATOM 4410 CD GLU 276 57.814 28.826 7.581 1.00 0.00 -ATOM 4411 OE1 GLU 276 58.082 29.615 8.511 1.00 0.00 -ATOM 4412 OE2 GLU 276 58.485 28.690 6.536 1.00 0.00 -ATOM 4413 C GLU 276 54.178 26.218 8.090 1.00 0.00 -ATOM 4414 O GLU 276 54.197 26.442 9.302 1.00 0.00 -ATOM 4415 N PHE 277 53.077 26.410 7.339 1.00 0.00 -ATOM 4416 H PHE 277 53.190 26.223 6.353 1.00 0.00 -ATOM 4417 CA PHE 277 51.767 26.857 7.815 1.00 0.00 -ATOM 4418 HA PHE 277 51.858 27.745 8.440 1.00 0.00 -ATOM 4419 CB PHE 277 50.912 27.209 6.580 1.00 0.00 -ATOM 4420 HB2 PHE 277 51.431 27.927 5.945 1.00 0.00 -ATOM 4421 HB3 PHE 277 50.771 26.277 6.033 1.00 0.00 -ATOM 4422 CG PHE 277 49.528 27.776 6.836 1.00 0.00 -ATOM 4423 CD1 PHE 277 49.362 28.912 7.653 1.00 0.00 -ATOM 4424 HD1 PHE 277 50.227 29.350 8.152 1.00 0.00 -ATOM 4425 CE1 PHE 277 48.087 29.481 7.826 1.00 0.00 -ATOM 4426 HE1 PHE 277 47.962 30.357 8.463 1.00 0.00 -ATOM 4427 CZ PHE 277 46.973 28.919 7.177 1.00 0.00 -ATOM 4428 HZ PHE 277 45.988 29.370 7.296 1.00 0.00 -ATOM 4429 CE2 PHE 277 47.130 27.775 6.374 1.00 0.00 -ATOM 4430 HE2 PHE 277 46.264 27.331 5.883 1.00 0.00 -ATOM 4431 CD2 PHE 277 48.405 27.203 6.205 1.00 0.00 -ATOM 4432 HD2 PHE 277 48.526 26.315 5.585 1.00 0.00 -ATOM 4433 C PHE 277 51.105 25.734 8.621 1.00 0.00 -ATOM 4434 O PHE 277 50.998 24.610 8.133 1.00 0.00 -ATOM 4435 N ASN 278 50.700 26.040 9.863 1.00 0.00 -ATOM 4436 H ASN 278 50.932 26.971 10.179 1.00 0.00 -ATOM 4437 CA ASN 278 50.095 25.110 10.823 1.00 0.00 -ATOM 4438 HA ASN 278 49.508 24.368 10.281 1.00 0.00 -ATOM 4439 CB ASN 278 51.168 24.373 11.666 1.00 0.00 -ATOM 4440 HB2 ASN 278 51.843 25.113 12.097 1.00 0.00 -ATOM 4441 HB3 ASN 278 50.640 23.854 12.466 1.00 0.00 -ATOM 4442 CG ASN 278 51.998 23.351 10.883 1.00 0.00 -ATOM 4443 OD1 ASN 278 51.481 22.314 10.473 1.00 0.00 -ATOM 4444 ND2 ASN 278 53.279 23.646 10.651 1.00 0.00 -ATOM 4445 HD21 ASN 278 53.859 22.997 10.138 1.00 0.00 -ATOM 4446 HD22 ASN 278 53.663 24.517 10.990 1.00 0.00 -ATOM 4447 C ASN 278 49.029 25.768 11.711 1.00 0.00 -ATOM 4448 O ASN 278 48.142 25.066 12.196 1.00 0.00 -ATOM 4449 N ASP 279 49.123 27.091 11.935 1.00 0.00 -ATOM 4450 H ASP 279 49.873 27.565 11.453 1.00 0.00 -ATOM 4451 CA ASP 279 48.300 27.864 12.867 1.00 0.00 -ATOM 4452 HA ASP 279 47.476 27.248 13.227 1.00 0.00 -ATOM 4453 CB ASP 279 49.138 28.329 14.082 1.00 0.00 -ATOM 4454 HB2 ASP 279 49.989 28.911 13.728 1.00 0.00 -ATOM 4455 HB3 ASP 279 48.480 28.968 14.670 1.00 0.00 -ATOM 4456 CG ASP 279 49.637 27.175 14.951 1.00 0.00 -ATOM 4457 OD1 ASP 279 50.875 27.022 15.046 1.00 0.00 -ATOM 4458 OD2 ASP 279 48.768 26.492 15.537 1.00 0.00 -ATOM 4459 C ASP 279 47.626 29.054 12.181 1.00 0.00 -ATOM 4460 O ASP 279 48.189 29.659 11.270 1.00 0.00 -ATOM 4461 N VAL 280 46.419 29.388 12.662 1.00 0.00 -ATOM 4462 H VAL 280 46.051 28.748 13.352 1.00 0.00 -ATOM 4463 CA VAL 280 45.572 30.493 12.222 1.00 0.00 -ATOM 4464 HA VAL 280 46.123 31.270 11.692 1.00 0.00 -ATOM 4465 CB VAL 280 44.430 29.977 11.300 1.00 0.00 -ATOM 4466 HB VAL 280 43.936 29.153 11.815 1.00 0.00 -ATOM 4467 CG1 VAL 280 43.390 31.065 10.955 1.00 0.00 -ATOM 4468 HG11 VAL 280 43.883 31.889 10.439 1.00 0.00 -ATOM 4469 HG12 VAL 280 42.621 30.641 10.310 1.00 0.00 -ATOM 4470 HG13 VAL 280 42.931 31.434 11.872 1.00 0.00 -ATOM 4471 CG2 VAL 280 44.963 29.357 10.000 1.00 0.00 -ATOM 4472 HG21 VAL 280 45.610 28.513 10.238 1.00 0.00 -ATOM 4473 HG22 VAL 280 44.127 29.012 9.392 1.00 0.00 -ATOM 4474 HG23 VAL 280 45.531 30.105 9.446 1.00 0.00 -ATOM 4475 C VAL 280 45.078 31.227 13.476 1.00 0.00 -ATOM 4476 O VAL 280 44.384 30.640 14.309 1.00 0.00 -ATOM 4477 N TYR 281 45.438 32.514 13.584 1.00 0.00 -ATOM 4478 H TYR 281 46.014 32.877 12.838 1.00 0.00 -ATOM 4479 CA TYR 281 45.030 33.424 14.648 1.00 0.00 -ATOM 4480 HA TYR 281 44.564 32.872 15.465 1.00 0.00 -ATOM 4481 CB TYR 281 46.270 34.151 15.191 1.00 0.00 -ATOM 4482 HB2 TYR 281 46.767 34.646 14.357 1.00 0.00 -ATOM 4483 HB3 TYR 281 45.869 34.902 15.872 1.00 0.00 -ATOM 4484 CG TYR 281 47.270 33.280 15.930 1.00 0.00 -ATOM 4485 CD1 TYR 281 48.211 32.517 15.205 1.00 0.00 -ATOM 4486 HD1 TYR 281 48.193 32.528 14.115 1.00 0.00 -ATOM 4487 CE1 TYR 281 49.169 31.745 15.885 1.00 0.00 -ATOM 4488 HE1 TYR 281 49.888 31.148 15.324 1.00 0.00 -ATOM 4489 CZ TYR 281 49.203 31.748 17.291 1.00 0.00 -ATOM 4490 OH TYR 281 50.140 31.006 17.943 1.00 0.00 -ATOM 4491 HH TYR 281 50.719 30.526 17.347 1.00 0.00 -ATOM 4492 CE2 TYR 281 48.269 32.509 18.020 1.00 0.00 -ATOM 4493 HE2 TYR 281 48.298 32.511 19.110 1.00 0.00 -ATOM 4494 CD2 TYR 281 47.297 33.268 17.340 1.00 0.00 -ATOM 4495 HD2 TYR 281 46.565 33.847 17.903 1.00 0.00 -ATOM 4496 C TYR 281 44.085 34.467 14.041 1.00 0.00 -ATOM 4497 O TYR 281 44.491 35.216 13.155 1.00 0.00 -ATOM 4498 N LEU 282 42.839 34.514 14.526 1.00 0.00 -ATOM 4499 H LEU 282 42.639 33.865 15.274 1.00 0.00 -ATOM 4500 CA LEU 282 41.789 35.450 14.119 1.00 0.00 -ATOM 4501 HA LEU 282 41.978 35.843 13.120 1.00 0.00 -ATOM 4502 CB LEU 282 40.448 34.676 14.100 1.00 0.00 -ATOM 4503 HB2 LEU 282 40.351 34.314 15.124 1.00 0.00 -ATOM 4504 HB3 LEU 282 39.633 35.366 13.880 1.00 0.00 -ATOM 4505 CG LEU 282 40.387 33.480 13.123 1.00 0.00 -ATOM 4506 HG LEU 282 41.320 32.920 13.189 1.00 0.00 -ATOM 4507 CD1 LEU 282 39.211 32.558 13.475 1.00 0.00 -ATOM 4508 HD11 LEU 282 38.278 33.117 13.409 1.00 0.00 -ATOM 4509 HD12 LEU 282 39.183 31.721 12.777 1.00 0.00 -ATOM 4510 HD13 LEU 282 39.336 32.180 14.490 1.00 0.00 -ATOM 4511 CD2 LEU 282 40.300 33.933 11.657 1.00 0.00 -ATOM 4512 HD21 LEU 282 41.178 34.529 11.408 1.00 0.00 -ATOM 4513 HD22 LEU 282 40.259 33.058 11.008 1.00 0.00 -ATOM 4514 HD23 LEU 282 39.401 34.533 11.514 1.00 0.00 -ATOM 4515 C LEU 282 41.685 36.557 15.183 1.00 0.00 -ATOM 4516 O LEU 282 41.758 36.257 16.373 1.00 0.00 -ATOM 4517 N VAL 283 41.504 37.822 14.766 1.00 0.00 -ATOM 4518 H VAL 283 41.464 37.955 13.766 1.00 0.00 -ATOM 4519 CA VAL 283 41.427 39.009 15.630 1.00 0.00 -ATOM 4520 HA VAL 283 41.314 38.771 16.688 1.00 0.00 -ATOM 4521 CB VAL 283 42.679 39.914 15.455 1.00 0.00 -ATOM 4522 HB VAL 283 42.670 40.305 14.438 1.00 0.00 -ATOM 4523 CG1 VAL 283 42.707 41.086 16.456 1.00 0.00 -ATOM 4524 HG11 VAL 283 42.716 40.695 17.474 1.00 0.00 -ATOM 4525 HG12 VAL 283 43.602 41.685 16.289 1.00 0.00 -ATOM 4526 HG13 VAL 283 41.823 41.707 16.314 1.00 0.00 -ATOM 4527 CG2 VAL 283 44.005 39.141 15.529 1.00 0.00 -ATOM 4528 HG21 VAL 283 44.032 38.389 14.741 1.00 0.00 -ATOM 4529 HG22 VAL 283 44.837 39.833 15.399 1.00 0.00 -ATOM 4530 HG23 VAL 283 44.088 38.652 16.500 1.00 0.00 -ATOM 4531 C VAL 283 40.139 39.788 15.328 1.00 0.00 -ATOM 4532 O VAL 283 39.814 40.024 14.167 1.00 0.00 -ATOM 4533 N THR 284 39.447 40.236 16.384 1.00 0.00 -ATOM 4534 H THR 284 39.735 39.850 17.272 1.00 0.00 -ATOM 4535 CA THR 284 38.251 41.080 16.349 1.00 0.00 -ATOM 4536 HA THR 284 38.275 41.759 15.497 1.00 0.00 -ATOM 4537 CB THR 284 36.990 40.190 16.237 1.00 0.00 -ATOM 4538 HB THR 284 37.153 39.485 15.422 1.00 0.00 -ATOM 4539 CG2 THR 284 36.684 39.417 17.529 1.00 0.00 -ATOM 4540 HG21 THR 284 36.520 40.122 18.344 1.00 0.00 -ATOM 4541 HG22 THR 284 35.789 38.811 17.387 1.00 0.00 -ATOM 4542 HG23 THR 284 37.526 38.769 17.773 1.00 0.00 -ATOM 4543 OG1 THR 284 35.853 40.966 15.920 1.00 0.00 -ATOM 4544 HG1 THR 284 35.084 40.395 15.856 1.00 0.00 -ATOM 4545 C THR 284 38.269 42.059 17.537 1.00 0.00 -ATOM 4546 O THR 284 39.217 42.054 18.318 1.00 0.00 -ATOM 4547 N HID 285 37.218 42.881 17.693 1.00 0.00 -ATOM 4548 H HID 285 36.498 42.846 16.985 1.00 0.00 -ATOM 4549 CA HID 285 37.024 43.776 18.837 1.00 0.00 -ATOM 4550 HA HID 285 37.919 44.377 18.997 1.00 0.00 -ATOM 4551 CB HID 285 35.834 44.724 18.572 1.00 0.00 -ATOM 4552 HB2 HID 285 34.953 44.127 18.337 1.00 0.00 -ATOM 4553 HB3 HID 285 35.642 45.316 19.467 1.00 0.00 -ATOM 4554 CG HID 285 36.008 45.699 17.439 1.00 0.00 -ATOM 4555 ND1 HID 285 35.682 45.396 16.130 1.00 0.00 -ATOM 4556 HD1 HID 285 35.326 44.517 15.783 1.00 0.00 -ATOM 4557 CE1 HID 285 35.926 46.487 15.400 1.00 0.00 -ATOM 4558 HE1 HID 285 35.692 46.409 14.338 1.00 0.00 -ATOM 4559 NE2 HID 285 36.420 47.493 16.112 1.00 0.00 -ATOM 4560 CD2 HID 285 36.477 46.993 17.414 1.00 0.00 -ATOM 4561 HD2 HID 285 36.855 47.619 18.222 1.00 0.00 -ATOM 4562 C HID 285 36.671 42.963 20.090 1.00 0.00 -ATOM 4563 O HID 285 35.812 42.083 20.031 1.00 0.00 -ATOM 4564 N LEU 286 37.288 43.307 21.232 1.00 0.00 -ATOM 4565 H LEU 286 38.050 43.968 21.180 1.00 0.00 -ATOM 4566 CA LEU 286 36.898 42.803 22.544 1.00 0.00 -ATOM 4567 HA LEU 286 36.673 41.738 22.488 1.00 0.00 -ATOM 4568 CB LEU 286 38.058 43.011 23.545 1.00 0.00 -ATOM 4569 HB2 LEU 286 38.908 42.542 23.049 1.00 0.00 -ATOM 4570 HB3 LEU 286 38.253 44.076 23.668 1.00 0.00 -ATOM 4571 CG LEU 286 37.849 42.362 24.932 1.00 0.00 -ATOM 4572 HG LEU 286 36.876 42.675 25.310 1.00 0.00 -ATOM 4573 CD1 LEU 286 37.904 40.826 24.868 1.00 0.00 -ATOM 4574 HD11 LEU 286 38.877 40.512 24.491 1.00 0.00 -ATOM 4575 HD12 LEU 286 37.752 40.415 25.866 1.00 0.00 -ATOM 4576 HD13 LEU 286 37.122 40.461 24.202 1.00 0.00 -ATOM 4577 CD2 LEU 286 38.877 42.905 25.934 1.00 0.00 -ATOM 4578 HD21 LEU 286 38.761 43.985 26.025 1.00 0.00 -ATOM 4579 HD22 LEU 286 38.718 42.439 26.907 1.00 0.00 -ATOM 4580 HD23 LEU 286 39.883 42.677 25.583 1.00 0.00 -ATOM 4581 C LEU 286 35.682 43.621 22.999 1.00 0.00 -ATOM 4582 O LEU 286 35.774 44.833 23.201 1.00 0.00 -ATOM 4583 N MET 287 34.545 42.932 23.141 1.00 0.00 -ATOM 4584 H MET 287 34.576 41.956 22.884 1.00 0.00 -ATOM 4585 CA MET 287 33.290 43.474 23.651 1.00 0.00 -ATOM 4586 HA MET 287 33.195 44.534 23.413 1.00 0.00 -ATOM 4587 CB MET 287 32.135 42.712 22.973 1.00 0.00 -ATOM 4588 HB2 MET 287 32.234 41.661 23.245 1.00 0.00 -ATOM 4589 HB3 MET 287 31.203 43.106 23.378 1.00 0.00 -ATOM 4590 CG MET 287 32.124 42.846 21.433 1.00 0.00 -ATOM 4591 HG2 MET 287 33.108 42.528 21.089 1.00 0.00 -ATOM 4592 HG3 MET 287 31.370 42.149 21.068 1.00 0.00 -ATOM 4593 SD MET 287 31.770 44.503 20.782 1.00 0.00 -ATOM 4594 CE MET 287 29.997 44.633 21.140 1.00 0.00 -ATOM 4595 HE1 MET 287 29.835 44.541 22.214 1.00 0.00 -ATOM 4596 HE2 MET 287 29.627 45.600 20.799 1.00 0.00 -ATOM 4597 HE3 MET 287 29.462 43.836 20.623 1.00 0.00 -ATOM 4598 C MET 287 33.247 43.247 25.173 1.00 0.00 -ATOM 4599 O MET 287 34.027 42.455 25.707 1.00 0.00 -ATOM 4600 N GLY 288 32.351 43.950 25.883 1.00 0.00 -ATOM 4601 H GLY 288 31.583 44.393 25.399 1.00 0.00 -ATOM 4602 CA GLY 288 32.437 44.104 27.336 1.00 0.00 -ATOM 4603 HA2 GLY 288 33.471 43.912 27.624 1.00 0.00 -ATOM 4604 HA3 GLY 288 32.181 45.137 27.570 1.00 0.00 -ATOM 4605 C GLY 288 31.517 43.171 28.129 1.00 0.00 -ATOM 4606 O GLY 288 31.839 42.846 29.271 1.00 0.00 -ATOM 4607 N ALA 289 30.408 42.712 27.531 1.00 0.00 -ATOM 4608 H ALA 289 30.200 43.100 26.622 1.00 0.00 -ATOM 4609 CA ALA 289 29.452 41.778 28.121 1.00 0.00 -ATOM 4610 HA ALA 289 29.999 40.975 28.616 1.00 0.00 -ATOM 4611 CB ALA 289 28.583 42.498 29.167 1.00 0.00 -ATOM 4612 HB1 ALA 289 28.022 43.299 28.685 1.00 0.00 -ATOM 4613 HB2 ALA 289 27.888 41.787 29.615 1.00 0.00 -ATOM 4614 HB3 ALA 289 29.222 42.919 29.943 1.00 0.00 -ATOM 4615 C ALA 289 28.611 41.122 27.025 1.00 0.00 -ATOM 4616 O ALA 289 28.436 41.706 25.957 1.00 0.00 -ATOM 4617 N ASP 290 28.062 39.927 27.296 1.00 0.00 -ATOM 4618 H ASP 290 28.421 39.400 28.079 1.00 0.00 -ATOM 4619 CA ASP 290 27.040 39.304 26.450 1.00 0.00 -ATOM 4620 HA ASP 290 27.087 39.728 25.447 1.00 0.00 -ATOM 4621 CB ASP 290 27.264 37.768 26.352 1.00 0.00 -ATOM 4622 HB2 ASP 290 26.493 37.457 25.647 1.00 0.00 -ATOM 4623 HB3 ASP 290 28.246 37.637 25.897 1.00 0.00 -ATOM 4624 CG ASP 290 27.170 36.911 27.622 1.00 0.00 -ATOM 4625 OD1 ASP 290 27.797 35.829 27.603 1.00 0.00 -ATOM 4626 OD2 ASP 290 26.457 37.308 28.567 1.00 0.00 -ATOM 4627 C ASP 290 25.650 39.679 26.998 1.00 0.00 -ATOM 4628 O ASP 290 25.523 40.301 28.056 1.00 0.00 -ATOM 4629 N LEU 291 24.598 39.321 26.250 1.00 0.00 -ATOM 4630 H LEU 291 24.786 38.828 25.389 1.00 0.00 -ATOM 4631 CA LEU 291 23.217 39.678 26.556 1.00 0.00 -ATOM 4632 HA LEU 291 23.142 40.720 26.867 1.00 0.00 -ATOM 4633 CB LEU 291 22.378 39.484 25.272 1.00 0.00 -ATOM 4634 HB2 LEU 291 22.968 39.991 24.508 1.00 0.00 -ATOM 4635 HB3 LEU 291 22.343 38.416 25.055 1.00 0.00 -ATOM 4636 CG LEU 291 20.943 40.055 25.277 1.00 0.00 -ATOM 4637 HG LEU 291 20.412 39.624 26.126 1.00 0.00 -ATOM 4638 CD1 LEU 291 20.923 41.589 25.385 1.00 0.00 -ATOM 4639 HD11 LEU 291 21.454 42.020 24.536 1.00 0.00 -ATOM 4640 HD12 LEU 291 19.891 41.940 25.384 1.00 0.00 -ATOM 4641 HD13 LEU 291 21.410 41.895 26.311 1.00 0.00 -ATOM 4642 CD2 LEU 291 20.195 39.607 24.013 1.00 0.00 -ATOM 4643 HD21 LEU 291 20.147 38.518 23.985 1.00 0.00 -ATOM 4644 HD22 LEU 291 19.184 40.014 24.025 1.00 0.00 -ATOM 4645 HD23 LEU 291 20.722 39.970 23.131 1.00 0.00 -ATOM 4646 C LEU 291 22.648 38.880 27.752 1.00 0.00 -ATOM 4647 O LEU 291 21.714 39.376 28.376 1.00 0.00 -ATOM 4648 N ASN 292 23.242 37.732 28.152 1.00 0.00 -ATOM 4649 H ASN 292 23.949 37.335 27.551 1.00 0.00 -ATOM 4650 CA ASN 292 22.901 37.018 29.398 1.00 0.00 -ATOM 4651 HA ASN 292 21.825 36.847 29.420 1.00 0.00 -ATOM 4652 CB ASN 292 23.623 35.651 29.519 1.00 0.00 -ATOM 4653 HB2 ASN 292 24.687 35.779 29.321 1.00 0.00 -ATOM 4654 HB3 ASN 292 23.481 35.340 30.554 1.00 0.00 -ATOM 4655 CG ASN 292 23.086 34.557 28.604 1.00 0.00 -ATOM 4656 OD1 ASN 292 23.770 34.112 27.687 1.00 0.00 -ATOM 4657 ND2 ASN 292 21.874 34.078 28.887 1.00 0.00 -ATOM 4658 HD21 ASN 292 21.474 33.352 28.310 1.00 0.00 -ATOM 4659 HD22 ASN 292 21.362 34.444 29.677 1.00 0.00 -ATOM 4660 C ASN 292 23.254 37.827 30.657 1.00 0.00 -ATOM 4661 O ASN 292 22.501 37.791 31.632 1.00 0.00 -ATOM 4662 N ASN 293 24.366 38.583 30.619 1.00 0.00 -ATOM 4663 H ASN 293 24.918 38.539 29.774 1.00 0.00 -ATOM 4664 CA ASN 293 24.817 39.467 31.700 1.00 0.00 -ATOM 4665 HA ASN 293 24.811 38.927 32.647 1.00 0.00 -ATOM 4666 CB ASN 293 26.259 39.967 31.424 1.00 0.00 -ATOM 4667 HB2 ASN 293 26.233 40.615 30.548 1.00 0.00 -ATOM 4668 HB3 ASN 293 26.527 40.555 32.302 1.00 0.00 -ATOM 4669 CG ASN 293 27.332 38.893 31.208 1.00 0.00 -ATOM 4670 OD1 ASN 293 28.241 39.090 30.402 1.00 0.00 -ATOM 4671 ND2 ASN 293 27.271 37.779 31.941 1.00 0.00 -ATOM 4672 HD21 ASN 293 27.967 37.057 31.816 1.00 0.00 -ATOM 4673 HD22 ASN 293 26.529 37.663 32.617 1.00 0.00 -ATOM 4674 C ASN 293 23.922 40.715 31.835 1.00 0.00 -ATOM 4675 O ASN 293 23.929 41.347 32.890 1.00 0.00 -ATOM 4676 N ILE 294 23.160 41.063 30.783 1.00 0.00 -ATOM 4677 H ILE 294 23.260 40.492 29.956 1.00 0.00 -ATOM 4678 CA ILE 294 22.271 42.223 30.721 1.00 0.00 -ATOM 4679 HA ILE 294 22.521 42.989 31.455 1.00 0.00 -ATOM 4680 CB ILE 294 22.341 42.833 29.289 1.00 0.00 -ATOM 4681 HB ILE 294 22.195 42.019 28.579 1.00 0.00 -ATOM 4682 CG2 ILE 294 21.283 43.933 29.036 1.00 0.00 -ATOM 4683 HG21 ILE 294 21.428 44.748 29.745 1.00 0.00 -ATOM 4684 HG22 ILE 294 21.389 44.313 28.020 1.00 0.00 -ATOM 4685 HG23 ILE 294 20.285 43.514 29.164 1.00 0.00 -ATOM 4686 CG1 ILE 294 23.766 43.385 29.032 1.00 0.00 -ATOM 4687 HG12 ILE 294 23.904 44.219 29.720 1.00 0.00 -ATOM 4688 HG13 ILE 294 24.460 42.584 29.289 1.00 0.00 -ATOM 4689 CD1 ILE 294 24.037 43.855 27.600 1.00 0.00 -ATOM 4690 HD11 ILE 294 23.344 44.656 27.343 1.00 0.00 -ATOM 4691 HD12 ILE 294 25.060 44.222 27.525 1.00 0.00 -ATOM 4692 HD13 ILE 294 23.900 43.021 26.911 1.00 0.00 -ATOM 4693 C ILE 294 20.835 41.819 31.114 1.00 0.00 -ATOM 4694 O ILE 294 20.170 42.619 31.774 1.00 0.00 -ATOM 4695 N VAL 295 20.369 40.599 30.768 1.00 0.00 -ATOM 4696 H VAL 295 20.939 40.042 30.147 1.00 0.00 -ATOM 4697 CA VAL 295 19.063 40.064 31.183 1.00 0.00 -ATOM 4698 HA VAL 295 18.253 40.775 31.021 1.00 0.00 -ATOM 4699 CB VAL 295 18.711 38.734 30.452 1.00 0.00 -ATOM 4700 HB VAL 295 19.495 38.011 30.674 1.00 0.00 -ATOM 4701 CG1 VAL 295 17.342 38.161 30.891 1.00 0.00 -ATOM 4702 HG11 VAL 295 16.557 38.884 30.669 1.00 0.00 -ATOM 4703 HG12 VAL 295 17.146 37.234 30.352 1.00 0.00 -ATOM 4704 HG13 VAL 295 17.358 37.961 31.962 1.00 0.00 -ATOM 4705 CG2 VAL 295 18.736 38.853 28.916 1.00 0.00 -ATOM 4706 HG21 VAL 295 19.733 39.151 28.590 1.00 0.00 -ATOM 4707 HG22 VAL 295 18.482 37.890 28.472 1.00 0.00 -ATOM 4708 HG23 VAL 295 18.011 39.602 28.597 1.00 0.00 -ATOM 4709 C VAL 295 19.051 39.861 32.707 1.00 0.00 -ATOM 4710 O VAL 295 18.194 40.432 33.373 1.00 0.00 -ATOM 4711 N LYS 296 20.000 39.064 33.236 1.00 0.00 -ATOM 4712 H LYS 296 20.446 38.495 32.531 1.00 0.00 -ATOM 4713 CA LYS 296 20.301 38.786 34.651 1.00 0.00 -ATOM 4714 HA LYS 296 20.839 37.842 34.733 1.00 0.00 -ATOM 4715 CB LYS 296 21.181 39.913 35.259 1.00 0.00 -ATOM 4716 HB2 LYS 296 21.536 39.523 36.213 1.00 0.00 -ATOM 4717 HB3 LYS 296 22.024 40.025 34.577 1.00 0.00 -ATOM 4718 CG LYS 296 20.513 41.287 35.481 1.00 0.00 -ATOM 4719 HG2 LYS 296 20.333 41.720 34.497 1.00 0.00 -ATOM 4720 HG3 LYS 296 19.560 41.105 35.977 1.00 0.00 -ATOM 4721 CD LYS 296 21.352 42.262 36.325 1.00 0.00 -ATOM 4722 HD2 LYS 296 20.729 43.138 36.503 1.00 0.00 -ATOM 4723 HD3 LYS 296 21.554 41.762 37.272 1.00 0.00 -ATOM 4724 CE LYS 296 22.678 42.699 35.684 1.00 0.00 -ATOM 4725 HE2 LYS 296 23.222 43.310 36.404 1.00 0.00 -ATOM 4726 HE3 LYS 296 23.259 41.806 35.454 1.00 0.00 -ATOM 4727 NZ LYS 296 22.459 43.472 34.451 1.00 0.00 -ATOM 4728 HZ1 LYS 296 21.921 44.300 34.664 1.00 0.00 -ATOM 4729 HZ2 LYS 296 23.350 43.741 34.059 1.00 0.00 -ATOM 4730 HZ3 LYS 296 21.955 42.906 33.784 1.00 0.00 -ATOM 4731 C LYS 296 19.090 38.413 35.543 1.00 0.00 -ATOM 4732 O LYS 296 19.122 38.646 36.751 1.00 0.00 -ATOM 4733 N CYS 297 18.026 37.852 34.940 1.00 0.00 -ATOM 4734 H CYS 297 18.059 37.985 33.939 1.00 0.00 -ATOM 4735 CA CYS 297 16.768 37.386 35.539 1.00 0.00 -ATOM 4736 HA CYS 297 16.228 36.820 34.780 1.00 0.00 -ATOM 4737 CB CYS 297 16.946 36.491 36.792 1.00 0.00 -ATOM 4738 HB2 CYS 297 17.567 36.967 37.551 1.00 0.00 -ATOM 4739 HB3 CYS 297 15.990 36.205 37.231 1.00 0.00 -ATOM 4740 SG CYS 297 17.783 34.941 36.356 1.00 0.00 -ATOM 4741 HG CYS 297 17.780 34.431 37.584 1.00 0.00 -ATOM 4742 C CYS 297 15.662 38.453 35.672 1.00 0.00 -ATOM 4743 O CYS 297 14.545 38.113 36.065 1.00 0.00 -ATOM 4744 N GLN 298 15.952 39.724 35.339 1.00 0.00 -ATOM 4745 H GLN 298 16.898 39.894 35.029 1.00 0.00 -ATOM 4746 CA GLN 298 15.032 40.864 35.422 1.00 0.00 -ATOM 4747 HA GLN 298 14.157 40.606 36.018 1.00 0.00 -ATOM 4748 CB GLN 298 15.762 42.055 36.101 1.00 0.00 -ATOM 4749 HB2 GLN 298 14.991 42.795 36.315 1.00 0.00 -ATOM 4750 HB3 GLN 298 16.161 41.666 37.037 1.00 0.00 -ATOM 4751 CG GLN 298 16.901 42.718 35.291 1.00 0.00 -ATOM 4752 HG2 GLN 298 17.681 41.976 35.119 1.00 0.00 -ATOM 4753 HG3 GLN 298 16.486 43.037 34.335 1.00 0.00 -ATOM 4754 CD GLN 298 17.525 43.931 35.981 1.00 0.00 -ATOM 4755 OE1 GLN 298 17.689 43.954 37.199 1.00 0.00 -ATOM 4756 NE2 GLN 298 17.889 44.950 35.199 1.00 0.00 -ATOM 4757 HE21 GLN 298 18.306 45.774 35.609 1.00 0.00 -ATOM 4758 HE22 GLN 298 17.746 44.893 34.201 1.00 0.00 -ATOM 4759 C GLN 298 14.528 41.275 34.027 1.00 0.00 -ATOM 4760 O GLN 298 15.136 40.947 33.007 1.00 0.00 -ATOM 4761 N LYS 299 13.434 42.055 34.007 1.00 0.00 -ATOM 4762 H LYS 299 12.979 42.217 34.894 1.00 0.00 -ATOM 4763 CA LYS 299 12.900 42.724 32.821 1.00 0.00 -ATOM 4764 HA LYS 299 12.816 42.020 31.993 1.00 0.00 -ATOM 4765 CB LYS 299 11.493 43.282 33.140 1.00 0.00 -ATOM 4766 HB2 LYS 299 11.559 43.776 34.109 1.00 0.00 -ATOM 4767 HB3 LYS 299 11.261 44.020 32.372 1.00 0.00 -ATOM 4768 CG LYS 299 10.385 42.222 33.181 1.00 0.00 -ATOM 4769 HG2 LYS 299 10.416 41.666 32.244 1.00 0.00 -ATOM 4770 HG3 LYS 299 10.595 41.547 34.011 1.00 0.00 -ATOM 4771 CD LYS 299 8.988 42.839 33.364 1.00 0.00 -ATOM 4772 HD2 LYS 299 8.975 43.344 34.330 1.00 0.00 -ATOM 4773 HD3 LYS 299 8.845 43.571 32.569 1.00 0.00 -ATOM 4774 CE LYS 299 7.856 41.802 33.314 1.00 0.00 -ATOM 4775 HE2 LYS 299 7.897 41.292 32.352 1.00 0.00 -ATOM 4776 HE3 LYS 299 8.014 41.079 34.114 1.00 0.00 -ATOM 4777 NZ LYS 299 6.537 42.435 33.478 1.00 0.00 -ATOM 4778 HZ1 LYS 299 6.390 43.104 32.736 1.00 0.00 -ATOM 4779 HZ2 LYS 299 5.817 41.728 33.440 1.00 0.00 -ATOM 4780 HZ3 LYS 299 6.499 42.907 34.370 1.00 0.00 -ATOM 4781 C LYS 299 13.781 43.928 32.448 1.00 0.00 -ATOM 4782 O LYS 299 14.227 44.672 33.323 1.00 0.00 -ATOM 4783 N LEU 300 13.966 44.144 31.138 1.00 0.00 -ATOM 4784 H LEU 300 13.670 43.412 30.508 1.00 0.00 -ATOM 4785 CA LEU 300 14.496 45.379 30.564 1.00 0.00 -ATOM 4786 HA LEU 300 15.218 45.829 31.245 1.00 0.00 -ATOM 4787 CB LEU 300 15.205 45.075 29.222 1.00 0.00 -ATOM 4788 HB2 LEU 300 14.576 44.307 28.772 1.00 0.00 -ATOM 4789 HB3 LEU 300 15.193 45.967 28.595 1.00 0.00 -ATOM 4790 CG LEU 300 16.652 44.550 29.342 1.00 0.00 -ATOM 4791 HG LEU 300 17.194 45.233 29.997 1.00 0.00 -ATOM 4792 CD1 LEU 300 16.743 43.123 29.903 1.00 0.00 -ATOM 4793 HD11 LEU 300 16.202 42.440 29.248 1.00 0.00 -ATOM 4794 HD12 LEU 300 17.789 42.820 29.959 1.00 0.00 -ATOM 4795 HD13 LEU 300 16.303 43.095 30.900 1.00 0.00 -ATOM 4796 CD2 LEU 300 17.342 44.632 27.973 1.00 0.00 -ATOM 4797 HD21 LEU 300 17.359 45.668 27.636 1.00 0.00 -ATOM 4798 HD22 LEU 300 18.364 44.261 28.058 1.00 0.00 -ATOM 4799 HD23 LEU 300 16.794 44.025 27.252 1.00 0.00 -ATOM 4800 C LEU 300 13.313 46.310 30.249 1.00 0.00 -ATOM 4801 O LEU 300 12.212 45.846 29.940 1.00 0.00 -ATOM 4802 N THR 301 13.564 47.630 30.282 1.00 0.00 -ATOM 4803 H THR 301 14.448 47.917 30.677 1.00 0.00 -ATOM 4804 CA THR 301 12.628 48.671 29.842 1.00 0.00 -ATOM 4805 HA THR 301 11.612 48.546 30.217 1.00 0.00 -ATOM 4806 CB THR 301 13.143 50.073 30.263 1.00 0.00 -ATOM 4807 HB THR 301 12.395 50.802 29.951 1.00 0.00 -ATOM 4808 CG2 THR 301 13.392 50.209 31.773 1.00 0.00 -ATOM 4809 HG21 THR 301 14.140 49.481 32.085 1.00 0.00 -ATOM 4810 HG22 THR 301 13.750 51.215 31.994 1.00 0.00 -ATOM 4811 HG23 THR 301 12.462 50.029 32.313 1.00 0.00 -ATOM 4812 OG1 THR 301 14.304 50.470 29.556 1.00 0.00 -ATOM 4813 HG1 THR 301 14.578 51.340 29.854 1.00 0.00 -ATOM 4814 C THR 301 12.428 48.593 28.317 1.00 0.00 -ATOM 4815 O THR 301 13.359 48.248 27.590 1.00 0.00 -ATOM 4816 N ASP 302 11.205 48.886 27.847 1.00 0.00 -ATOM 4817 H ASP 302 10.518 49.136 28.544 1.00 0.00 -ATOM 4818 CA ASP 302 10.760 48.718 26.460 1.00 0.00 -ATOM 4819 HA ASP 302 10.854 47.676 26.154 1.00 0.00 -ATOM 4820 CB ASP 302 9.277 49.133 26.347 1.00 0.00 -ATOM 4821 HB2 ASP 302 8.730 48.631 27.145 1.00 0.00 -ATOM 4822 HB3 ASP 302 9.232 50.211 26.498 1.00 0.00 -ATOM 4823 CG ASP 302 8.647 48.781 24.997 1.00 0.00 -ATOM 4824 OD1 ASP 302 8.649 47.576 24.662 1.00 0.00 -ATOM 4825 OD2 ASP 302 8.167 49.716 24.323 1.00 0.00 -ATOM 4826 C ASP 302 11.644 49.395 25.392 1.00 0.00 -ATOM 4827 O ASP 302 11.868 48.803 24.341 1.00 0.00 -ATOM 4828 N ASP 303 12.181 50.595 25.671 1.00 0.00 -ATOM 4829 H ASP 303 11.931 51.016 26.555 1.00 0.00 -ATOM 4830 CA ASP 303 13.055 51.349 24.763 1.00 0.00 -ATOM 4831 HA ASP 303 12.637 51.346 23.756 1.00 0.00 -ATOM 4832 CB ASP 303 13.183 52.813 25.240 1.00 0.00 -ATOM 4833 HB2 ASP 303 13.627 52.790 26.235 1.00 0.00 -ATOM 4834 HB3 ASP 303 13.850 53.341 24.558 1.00 0.00 -ATOM 4835 CG ASP 303 11.836 53.537 25.299 1.00 0.00 -ATOM 4836 OD1 ASP 303 11.300 53.655 26.423 1.00 0.00 -ATOM 4837 OD2 ASP 303 11.363 53.944 24.214 1.00 0.00 -ATOM 4838 C ASP 303 14.466 50.743 24.622 1.00 0.00 -ATOM 4839 O ASP 303 15.105 50.959 23.591 1.00 0.00 -ATOM 4840 N HIE 304 14.931 49.952 25.609 1.00 0.00 -ATOM 4841 H HIE 304 14.401 49.919 26.468 1.00 0.00 -ATOM 4842 CA HIE 304 16.154 49.150 25.516 1.00 0.00 -ATOM 4843 HA HIE 304 16.925 49.713 24.990 1.00 0.00 -ATOM 4844 CB HIE 304 16.678 48.793 26.926 1.00 0.00 -ATOM 4845 HB2 HIE 304 15.799 48.596 27.539 1.00 0.00 -ATOM 4846 HB3 HIE 304 17.321 47.913 26.921 1.00 0.00 -ATOM 4847 CG HIE 304 17.451 49.888 27.619 1.00 0.00 -ATOM 4848 ND1 HIE 304 17.411 50.068 29.006 1.00 0.00 -ATOM 4849 CE1 HIE 304 18.236 51.079 29.246 1.00 0.00 -ATOM 4850 HE1 HIE 304 18.330 51.383 30.288 1.00 0.00 -ATOM 4851 NE2 HIE 304 18.814 51.551 28.142 1.00 0.00 -ATOM 4852 HE2 HIE 304 19.477 52.309 28.063 1.00 0.00 -ATOM 4853 CD2 HIE 304 18.336 50.802 27.082 1.00 0.00 -ATOM 4854 HD2 HIE 304 18.682 51.008 26.069 1.00 0.00 -ATOM 4855 C HIE 304 15.902 47.844 24.746 1.00 0.00 -ATOM 4856 O HIE 304 16.793 47.420 24.013 1.00 0.00 -ATOM 4857 N VAL 305 14.698 47.242 24.842 1.00 0.00 -ATOM 4858 H VAL 305 14.060 47.576 25.550 1.00 0.00 -ATOM 4859 CA VAL 305 14.289 46.092 24.022 1.00 0.00 -ATOM 4860 HA VAL 305 15.053 45.316 23.991 1.00 0.00 -ATOM 4861 CB VAL 305 12.963 45.463 24.535 1.00 0.00 -ATOM 4862 HB VAL 305 12.182 46.220 24.469 1.00 0.00 -ATOM 4863 CG1 VAL 305 12.547 44.222 23.714 1.00 0.00 -ATOM 4864 HG11 VAL 305 13.328 43.464 23.780 1.00 0.00 -ATOM 4865 HG12 VAL 305 11.615 43.819 24.111 1.00 0.00 -ATOM 4866 HG13 VAL 305 12.404 44.507 22.672 1.00 0.00 -ATOM 4867 CG2 VAL 305 13.038 45.092 26.025 1.00 0.00 -ATOM 4868 HG21 VAL 305 13.239 45.987 26.613 1.00 0.00 -ATOM 4869 HG22 VAL 305 12.090 44.656 26.340 1.00 0.00 -ATOM 4870 HG23 VAL 305 13.839 44.369 26.180 1.00 0.00 -ATOM 4871 C VAL 305 14.147 46.513 22.548 1.00 0.00 -ATOM 4872 O VAL 305 14.609 45.787 21.671 1.00 0.00 -ATOM 4873 N GLN 306 13.581 47.702 22.276 1.00 0.00 -ATOM 4874 H GLN 306 13.173 48.204 23.051 1.00 0.00 -ATOM 4875 CA GLN 306 13.483 48.290 20.941 1.00 0.00 -ATOM 4876 HA GLN 306 12.938 47.613 20.283 1.00 0.00 -ATOM 4877 CB GLN 306 12.740 49.636 20.985 1.00 0.00 -ATOM 4878 HB2 GLN 306 13.164 50.202 21.815 1.00 0.00 -ATOM 4879 HB3 GLN 306 12.960 50.147 20.048 1.00 0.00 -ATOM 4880 CG GLN 306 11.219 49.528 21.164 1.00 0.00 -ATOM 4881 HG2 GLN 306 10.798 49.006 20.305 1.00 0.00 -ATOM 4882 HG3 GLN 306 10.994 48.971 22.074 1.00 0.00 -ATOM 4883 CD GLN 306 10.569 50.909 21.263 1.00 0.00 -ATOM 4884 OE1 GLN 306 10.936 51.825 20.531 1.00 0.00 -ATOM 4885 NE2 GLN 306 9.608 51.078 22.171 1.00 0.00 -ATOM 4886 HE21 GLN 306 9.157 51.977 22.263 1.00 0.00 -ATOM 4887 HE22 GLN 306 9.335 50.306 22.762 1.00 0.00 -ATOM 4888 C GLN 306 14.861 48.506 20.301 1.00 0.00 -ATOM 4889 O GLN 306 15.020 48.195 19.128 1.00 0.00 -ATOM 4890 N PHE 307 15.855 48.999 21.061 1.00 0.00 -ATOM 4891 H PHE 307 15.659 49.206 22.030 1.00 0.00 -ATOM 4892 CA PHE 307 17.196 49.278 20.550 1.00 0.00 -ATOM 4893 HA PHE 307 17.137 49.788 19.588 1.00 0.00 -ATOM 4894 CB PHE 307 17.943 50.190 21.547 1.00 0.00 -ATOM 4895 HB2 PHE 307 17.330 51.061 21.777 1.00 0.00 -ATOM 4896 HB3 PHE 307 18.130 49.627 22.461 1.00 0.00 -ATOM 4897 CG PHE 307 19.294 50.719 21.076 1.00 0.00 -ATOM 4898 CD1 PHE 307 19.436 51.283 19.787 1.00 0.00 -ATOM 4899 HD1 PHE 307 18.571 51.340 19.126 1.00 0.00 -ATOM 4900 CE1 PHE 307 20.685 51.769 19.355 1.00 0.00 -ATOM 4901 HE1 PHE 307 20.790 52.190 18.355 1.00 0.00 -ATOM 4902 CZ PHE 307 21.798 51.711 20.215 1.00 0.00 -ATOM 4903 HZ PHE 307 22.765 52.089 19.884 1.00 0.00 -ATOM 4904 CE2 PHE 307 21.660 51.164 21.504 1.00 0.00 -ATOM 4905 HE2 PHE 307 22.520 51.129 22.172 1.00 0.00 -ATOM 4906 CD2 PHE 307 20.414 50.662 21.932 1.00 0.00 -ATOM 4907 HD2 PHE 307 20.314 50.228 22.927 1.00 0.00 -ATOM 4908 C PHE 307 18.013 47.994 20.327 1.00 0.00 -ATOM 4909 O PHE 307 18.685 47.886 19.303 1.00 0.00 -ATOM 4910 N LEU 308 17.952 47.022 21.253 1.00 0.00 -ATOM 4911 H LEU 308 17.364 47.176 22.059 1.00 0.00 -ATOM 4912 CA LEU 308 18.721 45.778 21.182 1.00 0.00 -ATOM 4913 HA LEU 308 19.759 45.993 20.927 1.00 0.00 -ATOM 4914 CB LEU 308 18.687 45.060 22.550 1.00 0.00 -ATOM 4915 HB2 LEU 308 17.637 45.091 22.842 1.00 0.00 -ATOM 4916 HB3 LEU 308 19.002 44.023 22.437 1.00 0.00 -ATOM 4917 CG LEU 308 19.545 45.743 23.640 1.00 0.00 -ATOM 4918 HG LEU 308 19.399 46.821 23.579 1.00 0.00 -ATOM 4919 CD1 LEU 308 19.141 45.250 25.037 1.00 0.00 -ATOM 4920 HD11 LEU 308 19.287 44.172 25.099 1.00 0.00 -ATOM 4921 HD12 LEU 308 19.757 45.743 25.789 1.00 0.00 -ATOM 4922 HD13 LEU 308 18.092 45.485 25.216 1.00 0.00 -ATOM 4923 CD2 LEU 308 21.053 45.533 23.416 1.00 0.00 -ATOM 4924 HD21 LEU 308 21.339 45.952 22.451 1.00 0.00 -ATOM 4925 HD22 LEU 308 21.611 46.032 24.208 1.00 0.00 -ATOM 4926 HD23 LEU 308 21.278 44.467 23.430 1.00 0.00 -ATOM 4927 C LEU 308 18.191 44.837 20.091 1.00 0.00 -ATOM 4928 O LEU 308 18.995 44.323 19.316 1.00 0.00 -ATOM 4929 N ILE 309 16.863 44.645 19.986 1.00 0.00 -ATOM 4930 H ILE 309 16.270 45.054 20.694 1.00 0.00 -ATOM 4931 CA ILE 309 16.243 43.784 18.971 1.00 0.00 -ATOM 4932 HA ILE 309 16.825 42.885 18.766 1.00 0.00 -ATOM 4933 CB ILE 309 14.802 43.382 19.400 1.00 0.00 -ATOM 4934 HB ILE 309 14.230 44.300 19.538 1.00 0.00 -ATOM 4935 CG2 ILE 309 14.090 42.483 18.367 1.00 0.00 -ATOM 4936 HG21 ILE 309 14.661 41.565 18.229 1.00 0.00 -ATOM 4937 HG22 ILE 309 13.090 42.238 18.725 1.00 0.00 -ATOM 4938 HG23 ILE 309 14.015 43.010 17.416 1.00 0.00 -ATOM 4939 CG1 ILE 309 14.748 42.700 20.794 1.00 0.00 -ATOM 4940 HG12 ILE 309 15.082 43.448 21.513 1.00 0.00 -ATOM 4941 HG13 ILE 309 13.700 42.463 20.978 1.00 0.00 -ATOM 4942 CD1 ILE 309 15.595 41.428 20.947 1.00 0.00 -ATOM 4943 HD11 ILE 309 16.643 41.665 20.764 1.00 0.00 -ATOM 4944 HD12 ILE 309 15.483 41.036 21.958 1.00 0.00 -ATOM 4945 HD13 ILE 309 15.261 40.680 20.228 1.00 0.00 -ATOM 4946 C ILE 309 16.269 44.442 17.573 1.00 0.00 -ATOM 4947 O ILE 309 16.364 43.713 16.587 1.00 0.00 -ATOM 4948 N TYR 310 16.276 45.788 17.472 1.00 0.00 -ATOM 4949 H TYR 310 16.081 46.319 18.309 1.00 0.00 -ATOM 4950 CA TYR 310 16.493 46.521 16.217 1.00 0.00 -ATOM 4951 HA TYR 310 15.755 46.210 15.478 1.00 0.00 -ATOM 4952 CB TYR 310 16.355 48.045 16.442 1.00 0.00 -ATOM 4953 HB2 TYR 310 15.304 48.185 16.696 1.00 0.00 -ATOM 4954 HB3 TYR 310 16.975 48.334 17.291 1.00 0.00 -ATOM 4955 CG TYR 310 16.705 48.907 15.244 1.00 0.00 -ATOM 4956 CD1 TYR 310 15.811 48.986 14.159 1.00 0.00 -ATOM 4957 HD1 TYR 310 14.840 48.493 14.217 1.00 0.00 -ATOM 4958 CE1 TYR 310 16.169 49.699 13.003 1.00 0.00 -ATOM 4959 HE1 TYR 310 15.469 49.770 12.171 1.00 0.00 -ATOM 4960 CZ TYR 310 17.423 50.336 12.925 1.00 0.00 -ATOM 4961 OH TYR 310 17.792 50.981 11.782 1.00 0.00 -ATOM 4962 HH TYR 310 17.123 50.939 11.095 1.00 0.00 -ATOM 4963 CE2 TYR 310 18.304 50.292 14.023 1.00 0.00 -ATOM 4964 HE2 TYR 310 19.262 50.810 13.976 1.00 0.00 -ATOM 4965 CD2 TYR 310 17.946 49.578 15.183 1.00 0.00 -ATOM 4966 HD2 TYR 310 18.627 49.543 16.034 1.00 0.00 -ATOM 4967 C TYR 310 17.869 46.209 15.606 1.00 0.00 -ATOM 4968 O TYR 310 17.959 46.006 14.398 1.00 0.00 -ATOM 4969 N GLN 311 18.922 46.158 16.437 1.00 0.00 -ATOM 4970 H GLN 311 18.745 46.306 17.420 1.00 0.00 -ATOM 4971 CA GLN 311 20.298 45.923 16.009 1.00 0.00 -ATOM 4972 HA GLN 311 20.539 46.532 15.137 1.00 0.00 -ATOM 4973 CB GLN 311 21.244 46.310 17.154 1.00 0.00 -ATOM 4974 HB2 GLN 311 20.870 45.856 18.072 1.00 0.00 -ATOM 4975 HB3 GLN 311 22.233 45.910 16.928 1.00 0.00 -ATOM 4976 CG GLN 311 21.337 47.833 17.337 1.00 0.00 -ATOM 4977 HG2 GLN 311 21.731 48.287 16.428 1.00 0.00 -ATOM 4978 HG3 GLN 311 20.351 48.245 17.550 1.00 0.00 -ATOM 4979 CD GLN 311 22.266 48.174 18.492 1.00 0.00 -ATOM 4980 OE1 GLN 311 23.464 48.334 18.284 1.00 0.00 -ATOM 4981 NE2 GLN 311 21.721 48.279 19.704 1.00 0.00 -ATOM 4982 HE21 GLN 311 22.303 48.504 20.498 1.00 0.00 -ATOM 4983 HE22 GLN 311 20.729 48.133 19.822 1.00 0.00 -ATOM 4984 C GLN 311 20.557 44.460 15.621 1.00 0.00 -ATOM 4985 O GLN 311 21.370 44.227 14.729 1.00 0.00 -ATOM 4986 N ILE 312 19.852 43.483 16.225 1.00 0.00 -ATOM 4987 H ILE 312 19.258 43.722 17.006 1.00 0.00 -ATOM 4988 CA ILE 312 19.952 42.071 15.833 1.00 0.00 -ATOM 4989 HA ILE 312 20.998 41.816 15.664 1.00 0.00 -ATOM 4990 CB ILE 312 19.352 41.113 16.903 1.00 0.00 -ATOM 4991 HB ILE 312 18.293 41.344 17.020 1.00 0.00 -ATOM 4992 CG2 ILE 312 19.514 39.632 16.487 1.00 0.00 -ATOM 4993 HG21 ILE 312 20.573 39.401 16.370 1.00 0.00 -ATOM 4994 HG22 ILE 312 19.085 38.989 17.256 1.00 0.00 -ATOM 4995 HG23 ILE 312 18.999 39.461 15.542 1.00 0.00 -ATOM 4996 CG1 ILE 312 19.997 41.296 18.291 1.00 0.00 -ATOM 4997 HG12 ILE 312 20.948 40.763 18.285 1.00 0.00 -ATOM 4998 HG13 ILE 312 20.180 42.361 18.431 1.00 0.00 -ATOM 4999 CD1 ILE 312 19.124 40.772 19.438 1.00 0.00 -ATOM 5000 HD11 ILE 312 18.941 39.707 19.299 1.00 0.00 -ATOM 5001 HD12 ILE 312 19.636 40.931 20.387 1.00 0.00 -ATOM 5002 HD13 ILE 312 18.173 41.305 19.445 1.00 0.00 -ATOM 5003 C ILE 312 19.246 41.857 14.481 1.00 0.00 -ATOM 5004 O ILE 312 19.758 41.102 13.663 1.00 0.00 -ATOM 5005 N LEU 313 18.119 42.543 14.219 1.00 0.00 -ATOM 5006 H LEU 313 17.741 43.122 14.956 1.00 0.00 -ATOM 5007 CA LEU 313 17.399 42.484 12.944 1.00 0.00 -ATOM 5008 HA LEU 313 17.314 41.452 12.605 1.00 0.00 -ATOM 5009 CB LEU 313 15.981 43.060 13.127 1.00 0.00 -ATOM 5010 HB2 LEU 313 16.150 44.012 13.631 1.00 0.00 -ATOM 5011 HB3 LEU 313 15.524 43.241 12.154 1.00 0.00 -ATOM 5012 CG LEU 313 15.040 42.185 13.983 1.00 0.00 -ATOM 5013 HG LEU 313 15.566 41.860 14.881 1.00 0.00 -ATOM 5014 CD1 LEU 313 13.799 42.994 14.382 1.00 0.00 -ATOM 5015 HD11 LEU 313 13.272 43.318 13.485 1.00 0.00 -ATOM 5016 HD12 LEU 313 13.138 42.372 14.986 1.00 0.00 -ATOM 5017 HD13 LEU 313 14.104 43.867 14.959 1.00 0.00 -ATOM 5018 CD2 LEU 313 14.638 40.880 13.274 1.00 0.00 -ATOM 5019 HD21 LEU 313 15.531 40.295 13.055 1.00 0.00 -ATOM 5020 HD22 LEU 313 13.976 40.304 13.921 1.00 0.00 -ATOM 5021 HD23 LEU 313 14.121 41.116 12.344 1.00 0.00 -ATOM 5022 C LEU 313 18.117 43.271 11.831 1.00 0.00 -ATOM 5023 O LEU 313 18.031 42.870 10.673 1.00 0.00 -ATOM 5024 N ARG 314 18.858 44.341 12.172 1.00 0.00 -ATOM 5025 H ARG 314 18.804 44.630 13.138 1.00 0.00 -ATOM 5026 CA ARG 314 19.694 45.126 11.256 1.00 0.00 -ATOM 5027 HA ARG 314 19.168 45.313 10.320 1.00 0.00 -ATOM 5028 CB ARG 314 20.018 46.485 11.922 1.00 0.00 -ATOM 5029 HB2 ARG 314 19.062 46.919 12.216 1.00 0.00 -ATOM 5030 HB3 ARG 314 20.604 46.259 12.813 1.00 0.00 -ATOM 5031 CG ARG 314 20.789 47.490 11.042 1.00 0.00 -ATOM 5032 HG2 ARG 314 21.770 47.066 10.825 1.00 0.00 -ATOM 5033 HG3 ARG 314 20.235 47.619 10.112 1.00 0.00 -ATOM 5034 CD ARG 314 20.961 48.852 11.728 1.00 0.00 -ATOM 5035 HD2 ARG 314 19.979 49.301 11.878 1.00 0.00 -ATOM 5036 HD3 ARG 314 21.444 48.705 12.694 1.00 0.00 -ATOM 5037 NE ARG 314 21.782 49.772 10.926 1.00 0.00 -ATOM 5038 HE ARG 314 21.313 50.155 10.118 1.00 0.00 -ATOM 5039 CZ ARG 314 23.053 50.140 11.165 1.00 0.00 -ATOM 5040 NH1 ARG 314 23.628 51.072 10.396 1.00 0.00 -ATOM 5041 HH11 ARG 314 23.105 51.493 9.642 1.00 0.00 -ATOM 5042 HH12 ARG 314 24.583 51.350 10.573 1.00 0.00 -ATOM 5043 NH2 ARG 314 23.774 49.607 12.159 1.00 0.00 -ATOM 5044 HH21 ARG 314 23.363 48.905 12.757 1.00 0.00 -ATOM 5045 HH22 ARG 314 24.726 49.910 12.307 1.00 0.00 -ATOM 5046 C ARG 314 20.991 44.371 10.910 1.00 0.00 -ATOM 5047 O ARG 314 21.534 44.563 9.824 1.00 0.00 -ATOM 5048 N GLY 315 21.434 43.445 11.773 1.00 0.00 -ATOM 5049 H GLY 315 20.917 43.319 12.632 1.00 0.00 -ATOM 5050 CA GLY 315 22.608 42.616 11.547 1.00 0.00 -ATOM 5051 HA2 GLY 315 23.307 43.151 10.904 1.00 0.00 -ATOM 5052 HA3 GLY 315 23.086 42.402 12.503 1.00 0.00 -ATOM 5053 C GLY 315 22.224 41.295 10.875 1.00 0.00 -ATOM 5054 O GLY 315 23.000 40.803 10.061 1.00 0.00 -ATOM 5055 N LEU 316 21.008 40.771 11.125 1.00 0.00 -ATOM 5056 H LEU 316 20.456 41.202 11.853 1.00 0.00 -ATOM 5057 CA LEU 316 20.447 39.620 10.419 1.00 0.00 -ATOM 5058 HA LEU 316 21.207 38.841 10.349 1.00 0.00 -ATOM 5059 CB LEU 316 19.212 39.041 11.144 1.00 0.00 -ATOM 5060 HB2 LEU 316 18.692 39.925 11.514 1.00 0.00 -ATOM 5061 HB3 LEU 316 18.590 38.537 10.404 1.00 0.00 -ATOM 5062 CG LEU 316 19.493 38.081 12.319 1.00 0.00 -ATOM 5063 HG LEU 316 20.038 38.602 13.106 1.00 0.00 -ATOM 5064 CD1 LEU 316 18.147 37.587 12.869 1.00 0.00 -ATOM 5065 HD11 LEU 316 17.602 37.066 12.082 1.00 0.00 -ATOM 5066 HD12 LEU 316 18.322 36.906 13.702 1.00 0.00 -ATOM 5067 HD13 LEU 316 17.560 38.438 13.214 1.00 0.00 -ATOM 5068 CD2 LEU 316 20.387 36.888 11.930 1.00 0.00 -ATOM 5069 HD21 LEU 316 21.348 37.256 11.570 1.00 0.00 -ATOM 5070 HD22 LEU 316 20.545 36.253 12.801 1.00 0.00 -ATOM 5071 HD23 LEU 316 19.901 36.311 11.143 1.00 0.00 -ATOM 5072 C LEU 316 20.006 39.970 8.994 1.00 0.00 -ATOM 5073 O LEU 316 20.094 39.093 8.144 1.00 0.00 -ATOM 5074 N LYS 317 19.579 41.215 8.700 1.00 0.00 -ATOM 5075 H LYS 317 19.442 41.867 9.459 1.00 0.00 -ATOM 5076 CA LYS 317 19.262 41.657 7.336 1.00 0.00 -ATOM 5077 HA LYS 317 18.545 40.972 6.884 1.00 0.00 -ATOM 5078 CB LYS 317 18.646 43.076 7.353 1.00 0.00 -ATOM 5079 HB2 LYS 317 17.854 43.082 8.101 1.00 0.00 -ATOM 5080 HB3 LYS 317 19.431 43.772 7.650 1.00 0.00 -ATOM 5081 CG LYS 317 18.067 43.505 5.987 1.00 0.00 -ATOM 5082 HG2 LYS 317 18.729 43.106 5.219 1.00 0.00 -ATOM 5083 HG3 LYS 317 17.084 43.042 5.896 1.00 0.00 -ATOM 5084 CD LYS 317 17.935 45.024 5.809 1.00 0.00 -ATOM 5085 HD2 LYS 317 17.190 45.392 6.515 1.00 0.00 -ATOM 5086 HD3 LYS 317 18.899 45.483 6.027 1.00 0.00 -ATOM 5087 CE LYS 317 17.508 45.386 4.380 1.00 0.00 -ATOM 5088 HE2 LYS 317 18.202 44.915 3.685 1.00 0.00 -ATOM 5089 HE3 LYS 317 16.505 44.995 4.212 1.00 0.00 -ATOM 5090 NZ LYS 317 17.509 46.839 4.163 1.00 0.00 -ATOM 5091 HZ1 LYS 317 18.439 47.202 4.318 1.00 0.00 -ATOM 5092 HZ2 LYS 317 17.224 47.038 3.215 1.00 0.00 -ATOM 5093 HZ3 LYS 317 16.865 47.276 4.807 1.00 0.00 -ATOM 5094 C LYS 317 20.526 41.643 6.456 1.00 0.00 -ATOM 5095 O LYS 317 20.465 41.217 5.305 1.00 0.00 -ATOM 5096 N TYR 318 21.671 42.056 7.021 1.00 0.00 -ATOM 5097 H TYR 318 21.602 42.437 7.954 1.00 0.00 -ATOM 5098 CA TYR 318 22.975 42.048 6.373 1.00 0.00 -ATOM 5099 HA TYR 318 22.926 42.488 5.377 1.00 0.00 -ATOM 5100 CB TYR 318 23.923 42.896 7.239 1.00 0.00 -ATOM 5101 HB2 TYR 318 23.470 43.885 7.309 1.00 0.00 -ATOM 5102 HB3 TYR 318 23.967 42.446 8.231 1.00 0.00 -ATOM 5103 CG TYR 318 25.323 43.022 6.681 1.00 0.00 -ATOM 5104 CD1 TYR 318 25.608 43.953 5.662 1.00 0.00 -ATOM 5105 HD1 TYR 318 24.826 44.621 5.302 1.00 0.00 -ATOM 5106 CE1 TYR 318 26.900 44.020 5.110 1.00 0.00 -ATOM 5107 HE1 TYR 318 27.128 44.753 4.336 1.00 0.00 -ATOM 5108 CZ TYR 318 27.903 43.148 5.570 1.00 0.00 -ATOM 5109 OH TYR 318 29.135 43.145 4.991 1.00 0.00 -ATOM 5110 HH TYR 318 29.214 43.779 4.274 1.00 0.00 -ATOM 5111 CE2 TYR 318 27.630 42.262 6.625 1.00 0.00 -ATOM 5112 HE2 TYR 318 28.428 41.633 7.019 1.00 0.00 -ATOM 5113 CD2 TYR 318 26.340 42.184 7.171 1.00 0.00 -ATOM 5114 HD2 TYR 318 26.129 41.476 7.972 1.00 0.00 -ATOM 5115 C TYR 318 23.516 40.613 6.175 1.00 0.00 -ATOM 5116 O TYR 318 24.019 40.307 5.095 1.00 0.00 -ATOM 5117 N ILE 319 23.377 39.727 7.181 1.00 0.00 -ATOM 5118 H ILE 319 23.047 40.101 8.059 1.00 0.00 -ATOM 5119 CA ILE 319 23.765 38.308 7.128 1.00 0.00 -ATOM 5120 HA ILE 319 24.758 38.148 6.709 1.00 0.00 -ATOM 5121 CB ILE 319 23.707 37.712 8.575 1.00 0.00 -ATOM 5122 HB ILE 319 22.786 38.078 9.029 1.00 0.00 -ATOM 5123 CG2 ILE 319 23.736 36.170 8.643 1.00 0.00 -ATOM 5124 HG21 ILE 319 24.657 35.803 8.190 1.00 0.00 -ATOM 5125 HG22 ILE 319 23.692 35.851 9.684 1.00 0.00 -ATOM 5126 HG23 ILE 319 22.880 35.766 8.103 1.00 0.00 -ATOM 5127 CG1 ILE 319 24.845 38.274 9.463 1.00 0.00 -ATOM 5128 HG12 ILE 319 25.763 37.770 9.161 1.00 0.00 -ATOM 5129 HG13 ILE 319 24.925 39.338 9.242 1.00 0.00 -ATOM 5130 CD1 ILE 319 24.627 38.079 10.974 1.00 0.00 -ATOM 5131 HD11 ILE 319 24.547 37.015 11.196 1.00 0.00 -ATOM 5132 HD12 ILE 319 25.470 38.501 11.521 1.00 0.00 -ATOM 5133 HD13 ILE 319 23.709 38.583 11.277 1.00 0.00 -ATOM 5134 C ILE 319 22.894 37.526 6.114 1.00 0.00 -ATOM 5135 O ILE 319 23.426 36.730 5.343 1.00 0.00 -ATOM 5136 N HIP 320 21.573 37.775 6.081 1.00 0.00 -ATOM 5137 H HIP 320 21.233 38.490 6.708 1.00 0.00 -ATOM 5138 CA HIP 320 20.604 37.089 5.217 1.00 0.00 -ATOM 5139 HA HIP 320 20.795 36.016 5.210 1.00 0.00 -ATOM 5140 CB HIP 320 19.178 37.333 5.756 1.00 0.00 -ATOM 5141 HB2 HIP 320 19.040 38.396 5.952 1.00 0.00 -ATOM 5142 HB3 HIP 320 18.448 37.003 5.017 1.00 0.00 -ATOM 5143 CG HIP 320 18.850 36.610 7.042 1.00 0.00 -ATOM 5144 ND1 HIP 320 17.631 36.775 7.682 1.00 0.00 -ATOM 5145 HD1 HIP 320 16.868 37.367 7.387 1.00 0.00 -ATOM 5146 CE1 HIP 320 17.649 36.004 8.766 1.00 0.00 -ATOM 5147 HE1 HIP 320 16.764 36.005 9.403 1.00 0.00 -ATOM 5148 NE2 HIP 320 18.799 35.346 8.872 1.00 0.00 -ATOM 5149 HE2 HIP 320 19.073 34.690 9.589 1.00 0.00 -ATOM 5150 CD2 HIP 320 19.584 35.721 7.802 1.00 0.00 -ATOM 5151 HD2 HIP 320 20.589 35.313 7.694 1.00 0.00 -ATOM 5152 C HIP 320 20.642 37.566 3.757 1.00 0.00 -ATOM 5153 O HIP 320 20.296 36.783 2.875 1.00 0.00 -ATOM 5154 N SER 321 21.084 38.807 3.484 1.00 0.00 -ATOM 5155 H SER 321 21.263 39.422 4.265 1.00 0.00 -ATOM 5156 CA SER 321 21.256 39.339 2.125 1.00 0.00 -ATOM 5157 HA SER 321 20.420 39.041 1.492 1.00 0.00 -ATOM 5158 CB SER 321 21.306 40.881 2.182 1.00 0.00 -ATOM 5159 HB2 SER 321 21.260 41.251 1.158 1.00 0.00 -ATOM 5160 HB3 SER 321 20.427 41.220 2.731 1.00 0.00 -ATOM 5161 OG SER 321 22.472 41.375 2.809 1.00 0.00 -ATOM 5162 HG SER 321 22.449 42.335 2.816 1.00 0.00 -ATOM 5163 C SER 321 22.514 38.786 1.423 1.00 0.00 -ATOM 5164 O SER 321 22.577 38.808 0.195 1.00 0.00 -ATOM 5165 N ALA 322 23.477 38.244 2.191 1.00 0.00 -ATOM 5166 H ALA 322 23.378 38.367 3.189 1.00 0.00 -ATOM 5167 CA ALA 322 24.609 37.461 1.698 1.00 0.00 -ATOM 5168 HA ALA 322 24.996 37.839 0.752 1.00 0.00 -ATOM 5169 CB ALA 322 25.728 37.536 2.752 1.00 0.00 -ATOM 5170 HB1 ALA 322 25.358 37.153 3.703 1.00 0.00 -ATOM 5171 HB2 ALA 322 26.577 36.936 2.425 1.00 0.00 -ATOM 5172 HB3 ALA 322 26.042 38.572 2.876 1.00 0.00 -ATOM 5173 C ALA 322 24.238 35.973 1.527 1.00 0.00 -ATOM 5174 O ALA 322 25.027 35.217 0.963 1.00 0.00 -ATOM 5175 N ASP 323 23.065 35.543 2.026 1.00 0.00 -ATOM 5176 H ASP 323 22.621 36.214 2.637 1.00 0.00 -ATOM 5177 CA ASP 323 22.536 34.174 1.995 1.00 0.00 -ATOM 5178 HA ASP 323 21.559 34.186 2.479 1.00 0.00 -ATOM 5179 CB ASP 323 22.378 33.571 0.572 1.00 0.00 -ATOM 5180 HB2 ASP 323 23.377 33.400 0.171 1.00 0.00 -ATOM 5181 HB3 ASP 323 21.871 32.615 0.701 1.00 0.00 -ATOM 5182 CG ASP 323 21.581 34.444 -0.400 1.00 0.00 -ATOM 5183 OD1 ASP 323 22.044 34.579 -1.554 1.00 0.00 -ATOM 5184 OD2 ASP 323 20.515 34.946 0.019 1.00 0.00 -ATOM 5185 C ASP 323 23.226 33.251 3.012 1.00 0.00 -ATOM 5186 O ASP 323 23.305 32.039 2.808 1.00 0.00 -ATOM 5187 N ILE 324 23.715 33.833 4.118 1.00 0.00 -ATOM 5188 H ILE 324 23.723 34.843 4.123 1.00 0.00 -ATOM 5189 CA ILE 324 24.223 33.132 5.291 1.00 0.00 -ATOM 5190 HA ILE 324 24.549 32.115 5.070 1.00 0.00 -ATOM 5191 CB ILE 324 25.409 33.935 5.905 1.00 0.00 -ATOM 5192 HB ILE 324 25.063 34.952 6.092 1.00 0.00 -ATOM 5193 CG2 ILE 324 25.930 33.317 7.225 1.00 0.00 -ATOM 5194 HG21 ILE 324 26.277 32.301 7.039 1.00 0.00 -ATOM 5195 HG22 ILE 324 26.755 33.918 7.607 1.00 0.00 -ATOM 5196 HG23 ILE 324 25.125 33.297 7.960 1.00 0.00 -ATOM 5197 CG1 ILE 324 26.579 34.092 4.901 1.00 0.00 -ATOM 5198 HG12 ILE 324 27.132 33.152 4.895 1.00 0.00 -ATOM 5199 HG13 ILE 324 26.143 34.263 3.917 1.00 0.00 -ATOM 5200 CD1 ILE 324 27.533 35.244 5.245 1.00 0.00 -ATOM 5201 HD11 ILE 324 27.970 35.073 6.229 1.00 0.00 -ATOM 5202 HD12 ILE 324 28.327 35.294 4.500 1.00 0.00 -ATOM 5203 HD13 ILE 324 26.981 36.184 5.251 1.00 0.00 -ATOM 5204 C ILE 324 23.046 33.043 6.282 1.00 0.00 -ATOM 5205 O ILE 324 22.283 33.995 6.440 1.00 0.00 -ATOM 5206 N ILE 325 22.912 31.888 6.946 1.00 0.00 -ATOM 5207 H ILE 325 23.520 31.139 6.647 1.00 0.00 -ATOM 5208 CA ILE 325 22.002 31.638 8.064 1.00 0.00 -ATOM 5209 HA ILE 325 21.270 32.433 8.204 1.00 0.00 -ATOM 5210 CB ILE 325 21.261 30.282 7.846 1.00 0.00 -ATOM 5211 HB ILE 325 22.001 29.482 7.830 1.00 0.00 -ATOM 5212 CG2 ILE 325 20.235 30.013 8.971 1.00 0.00 -ATOM 5213 HG21 ILE 325 19.495 30.813 8.987 1.00 0.00 -ATOM 5214 HG22 ILE 325 19.737 29.061 8.789 1.00 0.00 -ATOM 5215 HG23 ILE 325 20.749 29.975 9.931 1.00 0.00 -ATOM 5216 CG1 ILE 325 20.571 30.188 6.461 1.00 0.00 -ATOM 5217 HG12 ILE 325 19.702 30.845 6.489 1.00 0.00 -ATOM 5218 HG13 ILE 325 21.282 30.558 5.722 1.00 0.00 -ATOM 5219 CD1 ILE 325 20.127 28.769 6.079 1.00 0.00 -ATOM 5220 HD11 ILE 325 19.416 28.399 6.818 1.00 0.00 -ATOM 5221 HD12 ILE 325 19.654 28.788 5.097 1.00 0.00 -ATOM 5222 HD13 ILE 325 20.996 28.111 6.050 1.00 0.00 -ATOM 5223 C ILE 325 22.908 31.554 9.305 1.00 0.00 -ATOM 5224 O ILE 325 23.980 30.948 9.231 1.00 0.00 -ATOM 5225 N HIE 326 22.489 32.132 10.445 1.00 0.00 -ATOM 5226 H HIE 326 21.622 32.649 10.430 1.00 0.00 -ATOM 5227 CA HIE 326 23.252 32.089 11.697 1.00 0.00 -ATOM 5228 HA HIE 326 24.285 32.381 11.508 1.00 0.00 -ATOM 5229 CB HIE 326 22.649 33.055 12.736 1.00 0.00 -ATOM 5230 HB2 HIE 326 22.510 34.035 12.280 1.00 0.00 -ATOM 5231 HB3 HIE 326 21.691 32.685 13.101 1.00 0.00 -ATOM 5232 CG HIE 326 23.523 33.263 13.950 1.00 0.00 -ATOM 5233 ND1 HIE 326 23.756 32.279 14.916 1.00 0.00 -ATOM 5234 CE1 HIE 326 24.596 32.831 15.779 1.00 0.00 -ATOM 5235 HE1 HIE 326 24.919 32.202 16.608 1.00 0.00 -ATOM 5236 NE2 HIE 326 24.901 34.088 15.467 1.00 0.00 -ATOM 5237 HE2 HIE 326 25.506 34.723 15.968 1.00 0.00 -ATOM 5238 CD2 HIE 326 24.227 34.391 14.299 1.00 0.00 -ATOM 5239 HD2 HIE 326 24.329 35.380 13.852 1.00 0.00 -ATOM 5240 C HIE 326 23.290 30.663 12.272 1.00 0.00 -ATOM 5241 O HIE 326 24.377 30.145 12.528 1.00 0.00 -ATOM 5242 N ARG 327 22.105 30.049 12.441 1.00 0.00 -ATOM 5243 H ARG 327 21.331 30.698 12.445 1.00 0.00 -ATOM 5244 CA ARG 327 21.848 28.657 12.833 1.00 0.00 -ATOM 5245 HA ARG 327 20.802 28.431 12.624 1.00 0.00 -ATOM 5246 CB ARG 327 22.737 27.627 12.086 1.00 0.00 -ATOM 5247 HB2 ARG 327 23.758 27.772 12.440 1.00 0.00 -ATOM 5248 HB3 ARG 327 22.389 26.636 12.378 1.00 0.00 -ATOM 5249 CG ARG 327 22.704 27.751 10.550 1.00 0.00 -ATOM 5250 HG2 ARG 327 21.761 27.328 10.204 1.00 0.00 -ATOM 5251 HG3 ARG 327 22.738 28.812 10.303 1.00 0.00 -ATOM 5252 CD ARG 327 23.869 27.030 9.863 1.00 0.00 -ATOM 5253 HD2 ARG 327 24.808 27.320 10.334 1.00 0.00 -ATOM 5254 HD3 ARG 327 23.736 25.952 9.952 1.00 0.00 -ATOM 5255 NE ARG 327 23.929 27.381 8.435 1.00 0.00 -ATOM 5256 HE ARG 327 24.221 28.329 8.247 1.00 0.00 -ATOM 5257 CZ ARG 327 23.648 26.578 7.395 1.00 0.00 -ATOM 5258 NH1 ARG 327 23.244 25.313 7.562 1.00 0.00 -ATOM 5259 HH11 ARG 327 23.143 24.937 8.494 1.00 0.00 -ATOM 5260 HH12 ARG 327 23.042 24.740 6.755 1.00 0.00 -ATOM 5261 NH2 ARG 327 23.765 27.053 6.151 1.00 0.00 -ATOM 5262 HH21 ARG 327 24.062 28.007 6.004 1.00 0.00 -ATOM 5263 HH22 ARG 327 23.556 26.456 5.364 1.00 0.00 -ATOM 5264 C ARG 327 21.801 28.419 14.353 1.00 0.00 -ATOM 5265 O ARG 327 21.303 27.373 14.774 1.00 0.00 -ATOM 5266 N ASP 328 22.308 29.357 15.175 1.00 0.00 -ATOM 5267 H ASP 328 22.764 30.134 14.719 1.00 0.00 -ATOM 5268 CA ASP 328 22.470 29.209 16.625 1.00 0.00 -ATOM 5269 HA ASP 328 21.584 28.744 17.058 1.00 0.00 -ATOM 5270 CB ASP 328 23.702 28.306 16.923 1.00 0.00 -ATOM 5271 HB2 ASP 328 23.591 27.406 16.318 1.00 0.00 -ATOM 5272 HB3 ASP 328 24.567 28.871 16.577 1.00 0.00 -ATOM 5273 CG ASP 328 23.903 27.913 18.391 1.00 0.00 -ATOM 5274 OD1 ASP 328 22.974 27.301 18.961 1.00 0.00 -ATOM 5275 OD2 ASP 328 24.997 28.217 18.916 1.00 0.00 -ATOM 5276 C ASP 328 22.384 30.551 17.388 1.00 0.00 -ATOM 5277 O ASP 328 23.197 30.801 18.276 1.00 0.00 -ATOM 5278 N LEU 329 21.430 31.445 17.054 1.00 0.00 -ATOM 5279 H LEU 329 20.819 31.243 16.276 1.00 0.00 -ATOM 5280 CA LEU 329 21.256 32.721 17.764 1.00 0.00 -ATOM 5281 HA LEU 329 22.227 33.206 17.861 1.00 0.00 -ATOM 5282 CB LEU 329 20.295 33.682 17.021 1.00 0.00 -ATOM 5283 HB2 LEU 329 19.721 33.038 16.355 1.00 0.00 -ATOM 5284 HB3 LEU 329 19.628 34.125 17.761 1.00 0.00 -ATOM 5285 CG LEU 329 20.967 34.801 16.200 1.00 0.00 -ATOM 5286 HG LEU 329 21.597 34.360 15.428 1.00 0.00 -ATOM 5287 CD1 LEU 329 19.887 35.666 15.544 1.00 0.00 -ATOM 5288 HD11 LEU 329 19.257 36.108 16.316 1.00 0.00 -ATOM 5289 HD12 LEU 329 20.359 36.458 14.963 1.00 0.00 -ATOM 5290 HD13 LEU 329 19.276 35.048 14.886 1.00 0.00 -ATOM 5291 CD2 LEU 329 21.897 35.703 17.033 1.00 0.00 -ATOM 5292 HD21 LEU 329 22.692 35.100 17.472 1.00 0.00 -ATOM 5293 HD22 LEU 329 22.334 36.467 16.390 1.00 0.00 -ATOM 5294 HD23 LEU 329 21.324 36.182 17.827 1.00 0.00 -ATOM 5295 C LEU 329 20.702 32.482 19.175 1.00 0.00 -ATOM 5296 O LEU 329 19.681 31.819 19.355 1.00 0.00 -ATOM 5297 N LYS 330 21.403 33.047 20.162 1.00 0.00 -ATOM 5298 H LYS 330 22.261 33.486 19.861 1.00 0.00 -ATOM 5299 CA LYS 330 21.129 32.975 21.591 1.00 0.00 -ATOM 5300 HA LYS 330 20.072 33.166 21.778 1.00 0.00 -ATOM 5301 CB LYS 330 21.479 31.570 22.130 1.00 0.00 -ATOM 5302 HB2 LYS 330 21.201 31.558 23.184 1.00 0.00 -ATOM 5303 HB3 LYS 330 20.860 30.859 21.583 1.00 0.00 -ATOM 5304 CG LYS 330 22.959 31.177 21.986 1.00 0.00 -ATOM 5305 HG2 LYS 330 23.293 31.454 20.986 1.00 0.00 -ATOM 5306 HG3 LYS 330 23.536 31.731 22.727 1.00 0.00 -ATOM 5307 CD LYS 330 23.168 29.674 22.196 1.00 0.00 -ATOM 5308 HD2 LYS 330 22.811 29.419 23.194 1.00 0.00 -ATOM 5309 HD3 LYS 330 22.575 29.142 21.452 1.00 0.00 -ATOM 5310 CE LYS 330 24.638 29.269 22.061 1.00 0.00 -ATOM 5311 HE2 LYS 330 25.025 29.654 21.118 1.00 0.00 -ATOM 5312 HE3 LYS 330 25.201 29.701 22.888 1.00 0.00 -ATOM 5313 NZ LYS 330 24.777 27.807 22.086 1.00 0.00 -ATOM 5314 HZ1 LYS 330 24.256 27.406 21.319 1.00 0.00 -ATOM 5315 HZ2 LYS 330 25.752 27.560 21.996 1.00 0.00 -ATOM 5316 HZ3 LYS 330 24.419 27.450 22.960 1.00 0.00 -ATOM 5317 C LYS 330 21.855 34.144 22.289 1.00 0.00 -ATOM 5318 O LYS 330 22.811 34.667 21.713 1.00 0.00 -ATOM 5319 N PRO 331 21.426 34.586 23.495 1.00 0.00 -ATOM 5320 CD PRO 331 20.242 34.079 24.193 1.00 0.00 -ATOM 5321 HD2 PRO 331 20.469 33.074 24.548 1.00 0.00 -ATOM 5322 HD3 PRO 331 19.424 34.034 23.474 1.00 0.00 -ATOM 5323 CG PRO 331 19.962 35.053 25.333 1.00 0.00 -ATOM 5324 HG2 PRO 331 19.621 34.513 26.216 1.00 0.00 -ATOM 5325 HG3 PRO 331 19.203 35.776 25.034 1.00 0.00 -ATOM 5326 CB PRO 331 21.289 35.735 25.581 1.00 0.00 -ATOM 5327 HB2 PRO 331 21.904 35.245 26.336 1.00 0.00 -ATOM 5328 HB3 PRO 331 21.089 36.762 25.886 1.00 0.00 -ATOM 5329 CA PRO 331 22.015 35.723 24.229 1.00 0.00 -ATOM 5330 HA PRO 331 21.741 36.612 23.661 1.00 0.00 -ATOM 5331 C PRO 331 23.550 35.703 24.448 1.00 0.00 -ATOM 5332 O PRO 331 24.157 36.771 24.496 1.00 0.00 -ATOM 5333 N SER 332 24.186 34.519 24.547 1.00 0.00 -ATOM 5334 H SER 332 23.613 33.687 24.560 1.00 0.00 -ATOM 5335 CA SER 332 25.641 34.367 24.706 1.00 0.00 -ATOM 5336 HA SER 332 26.025 35.101 25.414 1.00 0.00 -ATOM 5337 CB SER 332 25.949 32.952 25.246 1.00 0.00 -ATOM 5338 HB2 SER 332 26.995 32.942 25.554 1.00 0.00 -ATOM 5339 HB3 SER 332 25.313 32.791 26.116 1.00 0.00 -ATOM 5340 OG SER 332 25.726 31.921 24.302 1.00 0.00 -ATOM 5341 HG SER 332 25.935 31.073 24.699 1.00 0.00 -ATOM 5342 C SER 332 26.427 34.625 23.401 1.00 0.00 -ATOM 5343 O SER 332 27.618 34.928 23.463 1.00 0.00 -ATOM 5344 N ASN 333 25.758 34.537 22.238 1.00 0.00 -ATOM 5345 H ASN 333 24.811 34.193 22.311 1.00 0.00 -ATOM 5346 CA ASN 333 26.280 34.860 20.905 1.00 0.00 -ATOM 5347 HA ASN 333 27.369 34.810 20.899 1.00 0.00 -ATOM 5348 CB ASN 333 25.730 33.829 19.882 1.00 0.00 -ATOM 5349 HB2 ASN 333 24.651 33.756 20.022 1.00 0.00 -ATOM 5350 HB3 ASN 333 25.941 34.202 18.880 1.00 0.00 -ATOM 5351 CG ASN 333 26.338 32.429 20.022 1.00 0.00 -ATOM 5352 OD1 ASN 333 27.238 32.197 20.825 1.00 0.00 -ATOM 5353 ND2 ASN 333 25.847 31.473 19.234 1.00 0.00 -ATOM 5354 HD21 ASN 333 26.218 30.535 19.292 1.00 0.00 -ATOM 5355 HD22 ASN 333 25.107 31.691 18.582 1.00 0.00 -ATOM 5356 C ASN 333 25.884 36.289 20.474 1.00 0.00 -ATOM 5357 O ASN 333 26.030 36.641 19.304 1.00 0.00 -ATOM 5358 N LEU 334 25.409 37.120 21.417 1.00 0.00 -ATOM 5359 H LEU 334 25.259 36.706 22.326 1.00 0.00 -ATOM 5360 CA LEU 334 25.061 38.523 21.231 1.00 0.00 -ATOM 5361 HA LEU 334 25.333 38.850 20.227 1.00 0.00 -ATOM 5362 CB LEU 334 23.541 38.706 21.413 1.00 0.00 -ATOM 5363 HB2 LEU 334 23.329 38.242 22.376 1.00 0.00 -ATOM 5364 HB3 LEU 334 23.315 39.771 21.466 1.00 0.00 -ATOM 5365 CG LEU 334 22.669 38.049 20.324 1.00 0.00 -ATOM 5366 HG LEU 334 22.917 36.990 20.252 1.00 0.00 -ATOM 5367 CD1 LEU 334 21.192 38.202 20.685 1.00 0.00 -ATOM 5368 HD11 LEU 334 20.943 39.261 20.757 1.00 0.00 -ATOM 5369 HD12 LEU 334 20.579 37.737 19.913 1.00 0.00 -ATOM 5370 HD13 LEU 334 20.999 37.718 21.642 1.00 0.00 -ATOM 5371 CD2 LEU 334 22.943 38.632 18.932 1.00 0.00 -ATOM 5372 HD21 LEU 334 23.989 38.472 18.670 1.00 0.00 -ATOM 5373 HD22 LEU 334 22.306 38.138 18.199 1.00 0.00 -ATOM 5374 HD23 LEU 334 22.730 39.701 18.937 1.00 0.00 -ATOM 5375 C LEU 334 25.857 39.350 22.242 1.00 0.00 -ATOM 5376 O LEU 334 25.467 39.457 23.403 1.00 0.00 -ATOM 5377 N ALA 335 26.976 39.930 21.789 1.00 0.00 -ATOM 5378 H ALA 335 27.195 39.785 20.814 1.00 0.00 -ATOM 5379 CA ALA 335 27.855 40.789 22.575 1.00 0.00 -ATOM 5380 HA ALA 335 27.911 40.513 23.628 1.00 0.00 -ATOM 5381 CB ALA 335 29.253 40.702 21.973 1.00 0.00 -ATOM 5382 HB1 ALA 335 29.214 40.985 20.921 1.00 0.00 -ATOM 5383 HB2 ALA 335 29.921 41.378 22.506 1.00 0.00 -ATOM 5384 HB3 ALA 335 29.624 39.681 22.061 1.00 0.00 -ATOM 5385 C ALA 335 27.395 42.247 22.474 1.00 0.00 -ATOM 5386 O ALA 335 26.939 42.676 21.419 1.00 0.00 -ATOM 5387 N VAL 336 27.506 42.996 23.580 1.00 0.00 -ATOM 5388 H VAL 336 27.907 42.524 24.377 1.00 0.00 -ATOM 5389 CA VAL 336 27.001 44.358 23.762 1.00 0.00 -ATOM 5390 HA VAL 336 26.953 44.941 22.842 1.00 0.00 -ATOM 5391 CB VAL 336 25.578 44.311 24.397 1.00 0.00 -ATOM 5392 HB VAL 336 25.664 43.838 25.375 1.00 0.00 -ATOM 5393 CG1 VAL 336 24.955 45.703 24.556 1.00 0.00 -ATOM 5394 HG11 VAL 336 24.869 46.177 23.578 1.00 0.00 -ATOM 5395 HG12 VAL 336 23.965 45.610 25.003 1.00 0.00 -ATOM 5396 HG13 VAL 336 25.588 46.313 25.200 1.00 0.00 -ATOM 5397 CG2 VAL 336 24.574 43.406 23.656 1.00 0.00 -ATOM 5398 HG21 VAL 336 24.948 42.382 23.643 1.00 0.00 -ATOM 5399 HG22 VAL 336 23.612 43.435 24.168 1.00 0.00 -ATOM 5400 HG23 VAL 336 24.451 43.760 22.633 1.00 0.00 -ATOM 5401 C VAL 336 28.028 45.179 24.570 1.00 0.00 -ATOM 5402 O VAL 336 28.653 44.640 25.485 1.00 0.00 -ATOM 5403 N ASN 337 28.191 46.479 24.253 1.00 0.00 -ATOM 5404 H ASN 337 27.742 46.809 23.410 1.00 0.00 -ATOM 5405 CA ASN 337 29.077 47.403 24.980 1.00 0.00 -ATOM 5406 HA ASN 337 29.754 46.836 25.619 1.00 0.00 -ATOM 5407 CB ASN 337 29.925 48.251 23.984 1.00 0.00 -ATOM 5408 HB2 ASN 337 30.665 48.785 24.580 1.00 0.00 -ATOM 5409 HB3 ASN 337 30.427 47.518 23.352 1.00 0.00 -ATOM 5410 CG ASN 337 29.199 49.262 23.082 1.00 0.00 -ATOM 5411 OD1 ASN 337 28.043 49.615 23.301 1.00 0.00 -ATOM 5412 ND2 ASN 337 29.903 49.755 22.062 1.00 0.00 -ATOM 5413 HD21 ASN 337 29.478 50.423 21.435 1.00 0.00 -ATOM 5414 HD22 ASN 337 30.858 49.458 21.921 1.00 0.00 -ATOM 5415 C ASN 337 28.291 48.280 25.982 1.00 0.00 -ATOM 5416 O ASN 337 27.117 48.032 26.260 1.00 0.00 -ATOM 5417 N GLU 338 28.962 49.303 26.534 1.00 0.00 -ATOM 5418 H GLU 338 29.899 49.429 26.178 1.00 0.00 -ATOM 5419 CA GLU 338 28.492 50.206 27.586 1.00 0.00 -ATOM 5420 HA GLU 338 28.122 49.638 28.440 1.00 0.00 -ATOM 5421 CB GLU 338 29.672 51.095 28.056 1.00 0.00 -ATOM 5422 HB2 GLU 338 29.962 51.695 27.194 1.00 0.00 -ATOM 5423 HB3 GLU 338 29.271 51.746 28.833 1.00 0.00 -ATOM 5424 CG GLU 338 30.913 50.342 28.603 1.00 0.00 -ATOM 5425 HG2 GLU 338 31.478 51.083 29.169 1.00 0.00 -ATOM 5426 HG3 GLU 338 30.549 49.569 29.280 1.00 0.00 -ATOM 5427 CD GLU 338 31.823 49.706 27.541 1.00 0.00 -ATOM 5428 OE1 GLU 338 31.921 50.282 26.435 1.00 0.00 -ATOM 5429 OE2 GLU 338 32.393 48.636 27.847 1.00 0.00 -ATOM 5430 C GLU 338 27.333 51.119 27.136 1.00 0.00 -ATOM 5431 O GLU 338 26.449 51.414 27.939 1.00 0.00 -ATOM 5432 N ASP 339 27.325 51.538 25.858 1.00 0.00 -ATOM 5433 H ASP 339 28.104 51.238 25.290 1.00 0.00 -ATOM 5434 CA ASP 339 26.300 52.392 25.240 1.00 0.00 -ATOM 5435 HA ASP 339 25.864 53.064 25.979 1.00 0.00 -ATOM 5436 CB ASP 339 26.961 53.243 24.127 1.00 0.00 -ATOM 5437 HB2 ASP 339 27.411 52.559 23.408 1.00 0.00 -ATOM 5438 HB3 ASP 339 26.173 53.816 23.638 1.00 0.00 -ATOM 5439 CG ASP 339 28.031 54.199 24.661 1.00 0.00 -ATOM 5440 OD1 ASP 339 29.195 54.062 24.226 1.00 0.00 -ATOM 5441 OD2 ASP 339 27.662 55.054 25.496 1.00 0.00 -ATOM 5442 C ASP 339 25.143 51.580 24.621 1.00 0.00 -ATOM 5443 O ASP 339 24.265 52.165 23.987 1.00 0.00 -ATOM 5444 N CYS 340 25.136 50.247 24.801 1.00 0.00 -ATOM 5445 H CYS 340 26.043 49.889 25.066 1.00 0.00 -ATOM 5446 CA CYS 340 24.104 49.289 24.385 1.00 0.00 -ATOM 5447 HA CYS 340 24.378 48.309 24.776 1.00 0.00 -ATOM 5448 CB CYS 340 22.675 49.639 24.880 1.00 0.00 -ATOM 5449 HB2 CYS 340 22.412 50.678 24.681 1.00 0.00 -ATOM 5450 HB3 CYS 340 21.917 48.984 24.450 1.00 0.00 -ATOM 5451 SG CYS 340 22.561 49.427 26.678 1.00 0.00 -ATOM 5452 HG CYS 340 21.284 49.786 26.780 1.00 0.00 -ATOM 5453 C CYS 340 24.196 48.866 22.908 1.00 0.00 -ATOM 5454 O CYS 340 23.262 48.256 22.386 1.00 0.00 -ATOM 5455 N GLU 341 25.319 49.176 22.235 1.00 0.00 -ATOM 5456 H GLU 341 26.034 49.676 22.743 1.00 0.00 -ATOM 5457 CA GLU 341 25.567 48.847 20.834 1.00 0.00 -ATOM 5458 HA GLU 341 24.657 49.007 20.255 1.00 0.00 -ATOM 5459 CB GLU 341 26.685 49.731 20.249 1.00 0.00 -ATOM 5460 HB2 GLU 341 27.613 49.435 20.738 1.00 0.00 -ATOM 5461 HB3 GLU 341 26.747 49.503 19.185 1.00 0.00 -ATOM 5462 CG GLU 341 26.465 51.244 20.437 1.00 0.00 -ATOM 5463 HG2 GLU 341 25.552 51.541 19.921 1.00 0.00 -ATOM 5464 HG3 GLU 341 26.358 51.437 21.504 1.00 0.00 -ATOM 5465 CD GLU 341 27.643 52.048 19.890 1.00 0.00 -ATOM 5466 OE1 GLU 341 28.733 51.939 20.494 1.00 0.00 -ATOM 5467 OE2 GLU 341 27.439 52.743 18.872 1.00 0.00 -ATOM 5468 C GLU 341 25.985 47.372 20.732 1.00 0.00 -ATOM 5469 O GLU 341 26.985 46.953 21.316 1.00 0.00 -ATOM 5470 N LEU 342 25.172 46.596 20.007 1.00 0.00 -ATOM 5471 H LEU 342 24.458 47.088 19.489 1.00 0.00 -ATOM 5472 CA LEU 342 25.226 45.144 19.901 1.00 0.00 -ATOM 5473 HA LEU 342 25.676 44.684 20.781 1.00 0.00 -ATOM 5474 CB LEU 342 23.753 44.678 19.797 1.00 0.00 -ATOM 5475 HB2 LEU 342 23.323 45.014 20.741 1.00 0.00 -ATOM 5476 HB3 LEU 342 23.284 45.215 18.973 1.00 0.00 -ATOM 5477 CG LEU 342 23.506 43.160 19.630 1.00 0.00 -ATOM 5478 HG LEU 342 24.408 42.623 19.923 1.00 0.00 -ATOM 5479 CD1 LEU 342 22.329 42.697 20.503 1.00 0.00 -ATOM 5480 HD11 LEU 342 21.426 43.233 20.210 1.00 0.00 -ATOM 5481 HD12 LEU 342 22.175 41.626 20.368 1.00 0.00 -ATOM 5482 HD13 LEU 342 22.550 42.903 21.550 1.00 0.00 -ATOM 5483 CD2 LEU 342 23.261 42.793 18.153 1.00 0.00 -ATOM 5484 HD21 LEU 342 24.133 43.070 17.560 1.00 0.00 -ATOM 5485 HD22 LEU 342 23.091 41.720 18.068 1.00 0.00 -ATOM 5486 HD23 LEU 342 22.386 43.329 17.785 1.00 0.00 -ATOM 5487 C LEU 342 26.020 44.714 18.655 1.00 0.00 -ATOM 5488 O LEU 342 25.995 45.406 17.639 1.00 0.00 -ATOM 5489 N LYS 343 26.675 43.542 18.739 1.00 0.00 -ATOM 5490 H LYS 343 26.785 43.200 19.683 1.00 0.00 -ATOM 5491 CA LYS 343 27.279 42.775 17.648 1.00 0.00 -ATOM 5492 HA LYS 343 26.881 43.135 16.699 1.00 0.00 -ATOM 5493 CB LYS 343 28.815 42.911 17.621 1.00 0.00 -ATOM 5494 HB2 LYS 343 29.180 42.573 18.591 1.00 0.00 -ATOM 5495 HB3 LYS 343 29.179 42.240 16.843 1.00 0.00 -ATOM 5496 CG LYS 343 29.324 44.332 17.350 1.00 0.00 -ATOM 5497 HG2 LYS 343 28.779 44.727 16.493 1.00 0.00 -ATOM 5498 HG3 LYS 343 29.109 44.940 18.228 1.00 0.00 -ATOM 5499 CD LYS 343 30.834 44.369 17.059 1.00 0.00 -ATOM 5500 HD2 LYS 343 31.328 43.747 17.805 1.00 0.00 -ATOM 5501 HD3 LYS 343 30.989 43.940 16.069 1.00 0.00 -ATOM 5502 CE LYS 343 31.426 45.785 17.101 1.00 0.00 -ATOM 5503 HE2 LYS 343 31.180 46.229 18.066 1.00 0.00 -ATOM 5504 HE3 LYS 343 32.509 45.705 17.004 1.00 0.00 -ATOM 5505 NZ LYS 343 30.899 46.636 16.021 1.00 0.00 -ATOM 5506 HZ1 LYS 343 29.896 46.711 16.111 1.00 0.00 -ATOM 5507 HZ2 LYS 343 31.312 47.555 16.085 1.00 0.00 -ATOM 5508 HZ3 LYS 343 31.127 46.225 15.127 1.00 0.00 -ATOM 5509 C LYS 343 26.872 41.300 17.761 1.00 0.00 -ATOM 5510 O LYS 343 26.858 40.741 18.859 1.00 0.00 -ATOM 5511 N ILE 344 26.582 40.663 16.616 1.00 0.00 -ATOM 5512 H ILE 344 26.611 41.218 15.772 1.00 0.00 -ATOM 5513 CA ILE 344 26.242 39.245 16.502 1.00 0.00 -ATOM 5514 HA ILE 344 25.768 38.847 17.399 1.00 0.00 -ATOM 5515 CB ILE 344 25.285 39.063 15.284 1.00 0.00 -ATOM 5516 HB ILE 344 25.756 39.520 14.414 1.00 0.00 -ATOM 5517 CG2 ILE 344 24.988 37.582 14.987 1.00 0.00 -ATOM 5518 HG21 ILE 344 24.516 37.124 15.856 1.00 0.00 -ATOM 5519 HG22 ILE 344 24.318 37.510 14.131 1.00 0.00 -ATOM 5520 HG23 ILE 344 25.919 37.062 14.763 1.00 0.00 -ATOM 5521 CG1 ILE 344 23.949 39.825 15.466 1.00 0.00 -ATOM 5522 HG12 ILE 344 23.372 39.294 16.223 1.00 0.00 -ATOM 5523 HG13 ILE 344 24.190 40.824 15.828 1.00 0.00 -ATOM 5524 CD1 ILE 344 23.123 39.934 14.176 1.00 0.00 -ATOM 5525 HD11 ILE 344 22.881 38.935 13.814 1.00 0.00 -ATOM 5526 HD12 ILE 344 22.201 40.480 14.379 1.00 0.00 -ATOM 5527 HD13 ILE 344 23.700 40.465 13.419 1.00 0.00 -ATOM 5528 C ILE 344 27.546 38.452 16.277 1.00 0.00 -ATOM 5529 O ILE 344 28.246 38.682 15.290 1.00 0.00 -ATOM 5530 N LEU 345 27.836 37.501 17.181 1.00 0.00 -ATOM 5531 H LEU 345 27.173 37.410 17.938 1.00 0.00 -ATOM 5532 CA LEU 345 28.948 36.547 17.112 1.00 0.00 -ATOM 5533 HA LEU 345 29.769 36.973 16.535 1.00 0.00 -ATOM 5534 CB LEU 345 29.463 36.221 18.544 1.00 0.00 -ATOM 5535 HB2 LEU 345 28.716 35.512 18.902 1.00 0.00 -ATOM 5536 HB3 LEU 345 30.423 35.715 18.441 1.00 0.00 -ATOM 5537 CG LEU 345 29.599 37.383 19.558 1.00 0.00 -ATOM 5538 HG LEU 345 28.628 37.856 19.705 1.00 0.00 -ATOM 5539 CD1 LEU 345 30.108 36.828 20.901 1.00 0.00 -ATOM 5540 HD11 LEU 345 31.079 36.356 20.755 1.00 0.00 -ATOM 5541 HD12 LEU 345 30.205 37.643 21.618 1.00 0.00 -ATOM 5542 HD13 LEU 345 29.400 36.092 21.282 1.00 0.00 -ATOM 5543 CD2 LEU 345 30.509 38.521 19.076 1.00 0.00 -ATOM 5544 HD21 LEU 345 30.108 38.942 18.154 1.00 0.00 -ATOM 5545 HD22 LEU 345 30.555 39.298 19.839 1.00 0.00 -ATOM 5546 HD23 LEU 345 31.511 38.133 18.892 1.00 0.00 -ATOM 5547 C LEU 345 28.423 35.211 16.547 1.00 0.00 -ATOM 5548 O LEU 345 27.283 34.841 16.818 1.00 0.00 -ATOM 5549 N ASP 346 29.276 34.450 15.838 1.00 0.00 -ATOM 5550 H ASP 346 29.921 34.968 15.258 1.00 0.00 -ATOM 5551 CA ASP 346 29.152 32.995 15.620 1.00 0.00 -ATOM 5552 HA ASP 346 30.030 32.658 15.068 1.00 0.00 -ATOM 5553 CB ASP 346 29.045 32.170 16.939 1.00 0.00 -ATOM 5554 HB2 ASP 346 28.073 32.412 17.369 1.00 0.00 -ATOM 5555 HB3 ASP 346 29.067 31.115 16.664 1.00 0.00 -ATOM 5556 CG ASP 346 30.143 32.452 17.968 1.00 0.00 -ATOM 5557 OD1 ASP 346 31.301 32.633 17.536 1.00 0.00 -ATOM 5558 OD2 ASP 346 29.821 32.470 19.174 1.00 0.00 -ATOM 5559 C ASP 346 28.149 32.552 14.538 1.00 0.00 -ATOM 5560 O ASP 346 27.645 31.431 14.597 1.00 0.00 -ATOM 5561 N PHE 347 27.861 33.403 13.543 1.00 0.00 -ATOM 5562 H PHE 347 28.265 34.327 13.603 1.00 0.00 -ATOM 5563 CA PHE 347 26.994 33.095 12.399 1.00 0.00 -ATOM 5564 HA PHE 347 26.070 32.625 12.736 1.00 0.00 -ATOM 5565 CB PHE 347 26.639 34.415 11.662 1.00 0.00 -ATOM 5566 HB2 PHE 347 26.166 34.151 10.716 1.00 0.00 -ATOM 5567 HB3 PHE 347 25.952 35.018 12.255 1.00 0.00 -ATOM 5568 CG PHE 347 27.822 35.309 11.323 1.00 0.00 -ATOM 5569 CD1 PHE 347 28.588 35.086 10.160 1.00 0.00 -ATOM 5570 HD1 PHE 347 28.261 34.347 9.429 1.00 0.00 -ATOM 5571 CE1 PHE 347 29.770 35.814 9.943 1.00 0.00 -ATOM 5572 HE1 PHE 347 30.383 35.605 9.066 1.00 0.00 -ATOM 5573 CZ PHE 347 30.163 36.811 10.854 1.00 0.00 -ATOM 5574 HZ PHE 347 31.100 37.350 10.715 1.00 0.00 -ATOM 5575 CE2 PHE 347 29.338 37.109 11.949 1.00 0.00 -ATOM 5576 HE2 PHE 347 29.599 37.939 12.606 1.00 0.00 -ATOM 5577 CD2 PHE 347 28.184 36.349 12.203 1.00 0.00 -ATOM 5578 HD2 PHE 347 27.571 36.564 13.079 1.00 0.00 -ATOM 5579 C PHE 347 27.674 32.126 11.413 1.00 0.00 -ATOM 5580 O PHE 347 28.843 32.307 11.076 1.00 0.00 -ATOM 5581 N GLY 348 26.939 31.110 10.936 1.00 0.00 -ATOM 5582 H GLY 348 26.092 30.863 11.428 1.00 0.00 -ATOM 5583 CA GLY 348 27.298 30.342 9.743 1.00 0.00 -ATOM 5584 HA2 GLY 348 26.384 30.203 9.166 1.00 0.00 -ATOM 5585 HA3 GLY 348 27.999 30.951 9.171 1.00 0.00 -ATOM 5586 C GLY 348 27.930 28.974 10.011 1.00 0.00 -ATOM 5587 O GLY 348 28.050 28.181 9.077 1.00 0.00 -ATOM 5588 N LEU 349 28.359 28.699 11.253 1.00 0.00 -ATOM 5589 H LEU 349 28.175 29.390 11.966 1.00 0.00 -ATOM 5590 CA LEU 349 29.055 27.474 11.639 1.00 0.00 -ATOM 5591 HA LEU 349 29.709 27.140 10.833 1.00 0.00 -ATOM 5592 CB LEU 349 29.918 27.744 12.896 1.00 0.00 -ATOM 5593 HB2 LEU 349 29.162 28.216 13.523 1.00 0.00 -ATOM 5594 HB3 LEU 349 30.251 26.818 13.364 1.00 0.00 -ATOM 5595 CG LEU 349 31.126 28.704 12.732 1.00 0.00 -ATOM 5596 HG LEU 349 31.834 28.463 13.525 1.00 0.00 -ATOM 5597 CD1 LEU 349 31.834 28.610 11.367 1.00 0.00 -ATOM 5598 HD11 LEU 349 31.127 28.851 10.573 1.00 0.00 -ATOM 5599 HD12 LEU 349 32.665 29.315 11.339 1.00 0.00 -ATOM 5600 HD13 LEU 349 32.211 27.598 11.222 1.00 0.00 -ATOM 5601 CD2 LEU 349 30.776 30.156 13.082 1.00 0.00 -ATOM 5602 HD21 LEU 349 30.444 30.210 14.119 1.00 0.00 -ATOM 5603 HD22 LEU 349 31.657 30.785 12.950 1.00 0.00 -ATOM 5604 HD23 LEU 349 29.979 30.506 12.426 1.00 0.00 -ATOM 5605 C LEU 349 28.047 26.360 11.972 1.00 0.00 -ATOM 5606 O LEU 349 26.907 26.543 12.394 1.00 0.00 -ATOM 5607 N NME 350 28.309 25.022 11.423 1.00 0.00 -ATOM 5608 H NME 350 29.031 24.618 10.843 1.00 0.00 -ATOM 5609 C NME 350 27.228 24.163 11.876 1.00 0.00 -ATOM 5610 H1 NME 350 26.535 24.742 12.487 1.00 0.00 -ATOM 5611 H2 NME 350 26.699 23.758 11.013 1.00 0.00 -ATOM 5612 H3 NME 350 27.637 23.344 12.468 1.00 0.00 -TER -ATOM 5613 O WAT 351 32.380 34.872 16.004 1.00 0.00 -ATOM 5614 H1 WAT 351 33.337 34.872 16.004 1.00 0.00 -ATOM 5615 H2 WAT 351 32.140 35.799 16.004 1.00 0.00 -TER -ATOM 5616 O WAT 352 31.635 32.554 21.204 1.00 0.00 -ATOM 5617 H1 WAT 352 32.592 32.554 21.204 1.00 0.00 -ATOM 5618 H2 WAT 352 31.395 33.481 21.204 1.00 0.00 -TER -ATOM 5619 O WAT 353 34.020 32.262 18.489 1.00 0.00 -ATOM 5620 H1 WAT 353 34.977 32.262 18.489 1.00 0.00 -ATOM 5621 H2 WAT 353 33.780 33.189 18.489 1.00 0.00 -TER -ATOM 5622 O WAT 354 33.248 32.864 14.520 1.00 0.00 -ATOM 5623 H1 WAT 354 34.205 32.864 14.520 1.00 0.00 -ATOM 5624 H2 WAT 354 33.008 33.791 14.520 1.00 0.00 -TER -ATOM 5625 O WAT 355 29.516 34.754 25.828 1.00 0.00 -ATOM 5626 H1 WAT 355 30.473 34.754 25.828 1.00 0.00 -ATOM 5627 H2 WAT 355 29.276 35.681 25.828 1.00 0.00 -TER -END diff --git a/easyCampaign/OpenFE_run_easy_rbfe.sh b/easy_campaign/OpenFE_run_easy_rbfe.sh similarity index 87% rename from easyCampaign/OpenFE_run_easy_rbfe.sh rename to easy_campaign/OpenFE_run_easy_rbfe.sh index cfbcdbd..8bbee7e 100755 --- a/easyCampaign/OpenFE_run_easy_rbfe.sh +++ b/easy_campaign/OpenFE_run_easy_rbfe.sh @@ -12,7 +12,7 @@ mkdir rbfe_calculation -p cd rbfe_calculation || exit # PLAN the calculations -openfe plan-rbfe-network -m ../molecules/rbfe/p38_old_ligands.sdf -p ../molecules/rbfe/p38_old_protein.pdb -o a_alchemicalNetwork +openfe plan-rbfe-network -M ../molecules/rbfe/tyk2_ligands.sdf -p ../molecules/rbfe/tyk2_protein.pdb -o a_alchemicalNetwork # DO the calculations mkdir b_simulation c_results -p diff --git a/easyCampaign/OpenFE_run_easy_rhfe.sh b/easy_campaign/OpenFE_run_easy_rhfe.sh similarity index 93% rename from easyCampaign/OpenFE_run_easy_rhfe.sh rename to easy_campaign/OpenFE_run_easy_rhfe.sh index bbfb62b..1399039 100755 --- a/easyCampaign/OpenFE_run_easy_rhfe.sh +++ b/easy_campaign/OpenFE_run_easy_rhfe.sh @@ -12,7 +12,7 @@ mkdir rhfe_calculation -p cd rhfe_calculation || exit # PLAN the calculations -openfe plan-rhfe-network -m ../molecules/rhfe/benzenes_RHFE.sdf -o a_alchemicalNetwork +openfe plan-rhfe-network -M ../molecules/rhfe/benzenes_RHFE.sdf -o a_alchemicalNetwork # DO the calculations mkdir b_simulation c_results -p diff --git a/easyCampaign/cli-tutorial.md b/easy_campaign/cli-tutorial.md similarity index 100% rename from easyCampaign/cli-tutorial.md rename to easy_campaign/cli-tutorial.md diff --git a/easy_campaign/molecules/rbfe/tyk2_ligands.sdf b/easy_campaign/molecules/rbfe/tyk2_ligands.sdf new file mode 100644 index 0000000..5dc45b7 --- /dev/null +++ b/easy_campaign/molecules/rbfe/tyk2_ligands.sdf @@ -0,0 +1,1048 @@ +lig_ejm_31 + 3D + Schrodinger Suite 2021-1. + 32 33 0 0 1 0 999 V2000 + -4.7726 -2.8276 -16.4990 H 0 0 0 0 0 0 + -5.3616 -3.6890 -16.2224 C 0 0 0 0 0 0 + -4.7777 -4.9643 -16.1989 C 0 0 0 0 0 0 + -5.5357 -6.0885 -15.8273 C 0 0 0 0 0 0 + -6.9007 -5.9451 -15.4736 C 0 0 0 0 0 0 + -7.4915 -4.6571 -15.5270 C 0 0 0 0 0 0 + -6.7187 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H 0 0 0 0 0 0 + -6.2468 -13.7466 -21.0219 Cl 0 0 0 0 0 0 + -9.9956 -13.5261 -20.3580 H 0 0 0 0 0 0 + -11.0483 -11.0477 -14.3796 H 0 0 0 0 0 0 + -9.6507 -9.0421 -14.0475 H 0 0 0 0 0 0 + -4.7400 -7.5863 -15.8220 Cl 0 0 0 0 0 0 + -3.7318 -5.0262 -16.4169 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 +$$$$ +lig_jmc_28 + 3D + Schrodinger Suite 2021-1. + 39 41 0 0 1 0 999 V2000 + -4.7734 -2.7882 -16.4516 H 0 0 0 0 0 0 + -5.3693 -3.6534 -16.1928 C 0 0 0 0 0 0 + -4.7771 -4.9295 -16.1748 C 0 0 0 0 0 0 + -5.5384 -6.0580 -15.8222 C 0 0 0 0 0 0 + -6.9079 -5.9170 -15.4723 C 0 0 0 0 0 0 + -7.5021 -4.6266 -15.5098 C 0 0 0 0 0 0 + -6.7258 -3.5070 -15.8679 C 0 0 0 0 0 0 + -7.1773 -2.5281 -15.8986 H 0 0 0 0 0 0 + -9.1766 -4.3876 -15.1626 Cl 0 0 0 0 0 0 + -7.7200 -7.1066 -15.0434 C 0 0 0 0 0 0 + -8.1390 -7.1894 -13.8908 O 0 0 0 0 0 0 + -7.9167 -8.0154 -16.0156 N 0 0 0 0 0 0 + -7.4475 -7.8102 -16.8862 H 0 0 0 0 0 0 + -8.7431 -9.1695 -16.0273 C 0 0 0 0 0 0 + -9.5769 -9.5853 -14.9643 C 0 0 0 0 0 0 + -10.3771 -10.7245 -15.1583 C 0 0 0 0 0 0 + -10.3740 -11.4620 -16.2885 N 0 0 0 0 0 0 + -9.5582 -11.0924 -17.3052 C 0 0 0 0 0 0 + -8.7548 -9.9313 -17.2084 C 0 0 0 0 0 0 + -8.1464 -9.5935 -18.0346 H 0 0 0 0 0 0 + -9.5735 -11.8790 -18.4906 N 0 0 0 0 0 0 + -10.4150 -12.4196 -18.6299 H 0 0 0 0 0 0 + -8.6246 -12.0098 -19.4382 C 0 0 0 0 0 0 + -7.5447 -11.4192 -19.4291 O 0 0 0 0 0 0 + -9.0144 -12.9414 -20.5374 C 0 0 2 0 0 0 + -7.9968 -13.8618 -21.2117 C 0 0 1 0 0 0 + -8.4999 -12.6404 -21.9316 C 0 0 0 0 0 0 + -7.8110 -11.8050 -22.0554 H 0 0 0 0 0 0 + -9.1848 -12.7929 -22.7629 H 0 0 0 0 0 0 + -8.4286 -14.8054 -21.5270 H 0 0 0 0 0 0 + -6.5243 -14.0038 -20.8986 C 0 0 0 0 0 0 + -6.0378 -13.0412 -20.7510 H 0 0 0 0 0 0 + -6.0098 -14.5270 -21.7113 H 0 0 0 0 0 0 + -6.4164 -14.5984 -19.9932 H 0 0 0 0 0 0 + -10.0347 -13.3181 -20.4861 H 0 0 0 0 0 0 + -11.0392 -11.0690 -14.3787 H 0 0 0 0 0 0 + -9.6406 -9.0508 -14.0279 H 0 0 0 0 0 0 + -4.7554 -7.5923 -15.8220 Cl 0 0 0 0 0 0 + -3.7300 -5.0400 -16.4263 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 39 1 0 0 0 + 4 5 2 0 0 0 + 4 38 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 37 1 0 0 0 + 16 17 2 0 0 0 + 16 36 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 35 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 + 31 32 1 0 0 0 + 31 33 1 0 0 0 + 31 34 1 0 0 0 +M END +$$$$ diff --git a/easy_campaign/molecules/rbfe/tyk2_protein.pdb b/easy_campaign/molecules/rbfe/tyk2_protein.pdb new file mode 100644 index 0000000..8b0ba04 --- /dev/null +++ b/easy_campaign/molecules/rbfe/tyk2_protein.pdb @@ -0,0 +1,5265 @@ +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 *46(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 -12.864 4.220 1.00 0.00 C +HETATM 2 C ACE A 889 -15.275 -14.196 3.637 1.00 0.00 C +HETATM 3 O ACE A 889 -14.652 -14.991 4.340 1.00 0.00 O +HETATM 4 H1 ACE A 889 -16.002 -12.982 5.270 1.00 0.00 H +HETATM 5 H2 ACE A 889 -14.929 -12.130 4.152 1.00 0.00 H +HETATM 6 H3 ACE A 889 -16.601 -12.476 3.688 1.00 0.00 H +ATOM 7 N THR A 890 -15.598 -14.429 2.353 1.00 62.43 N +ATOM 8 CA THR A 890 -15.253 -15.636 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 -14.865 1.010 1.00 59.62 O +ATOM 11 CB THR A 890 -15.878 -15.600 0.175 1.00 68.55 C +ATOM 12 OG1 THR A 890 -17.275 -15.404 0.279 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 -16.131 -13.741 1.843 1.00 62.43 H +ATOM 15 HA THR A 890 -15.657 -16.495 2.138 1.00 60.76 H +ATOM 16 HB THR A 890 -15.486 -14.740 -0.370 1.00 68.55 H +ATOM 17 HG1 THR A 890 -17.660 -15.485 -0.597 1.00 68.98 H +ATOM 18 HG21 THR A 890 -16.174 -16.811 -1.622 1.00 67.10 H +ATOM 19 HG22 THR A 890 -14.586 -17.003 -0.909 1.00 67.10 H +ATOM 20 HG23 THR A 890 -15.983 -17.757 -0.151 1.00 67.10 H +ATOM 21 N VAL A 891 -13.227 -17.004 1.789 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 -18.439 0.760 1.00 56.21 C +ATOM 24 O VAL A 891 -12.250 -19.389 0.602 1.00 57.24 O +ATOM 25 CB VAL A 891 -11.320 -17.758 3.209 1.00 60.85 C +ATOM 26 CG1 VAL A 891 -11.950 -19.060 3.745 1.00 62.96 C +ATOM 27 CG2 VAL A 891 -9.784 -17.834 3.316 1.00 59.88 C +ATOM 28 H VAL A 891 -13.847 -17.732 2.112 1.00 57.37 H +ATOM 29 HA VAL A 891 -11.234 -16.448 1.521 1.00 55.39 H +ATOM 30 HB VAL A 891 -11.634 -16.961 3.885 1.00 60.85 H +ATOM 31 HG11 VAL A 891 -11.669 -19.225 4.785 1.00 62.96 H +ATOM 32 HG12 VAL A 891 -13.039 -19.021 3.707 1.00 62.96 H +ATOM 33 HG13 VAL A 891 -11.625 -19.935 3.183 1.00 62.96 H +ATOM 34 HG21 VAL A 891 -9.472 -17.993 4.349 1.00 59.88 H +ATOM 35 HG22 VAL A 891 -9.371 -18.651 2.725 1.00 59.88 H +ATOM 36 HG23 VAL A 891 -9.317 -16.908 2.976 1.00 59.88 H +ATOM 37 N PHE A 892 -10.332 -18.268 0.093 1.00 49.19 N +ATOM 38 CA PHE A 892 -9.736 -19.179 -0.880 1.00 47.07 C +ATOM 39 C PHE A 892 -8.379 -19.653 -0.337 1.00 52.74 C +ATOM 40 O PHE A 892 -7.608 -18.826 0.150 1.00 53.11 O +ATOM 41 CB PHE A 892 -9.546 -18.424 -2.216 1.00 45.10 C +ATOM 42 CG PHE A 892 -10.806 -18.200 -3.035 1.00 44.18 C +ATOM 43 CD1 PHE A 892 -11.099 -19.048 -4.122 1.00 44.87 C +ATOM 44 CD2 PHE A 892 -11.756 -17.229 -2.654 1.00 45.07 C +ATOM 45 CE1 PHE A 892 -12.289 -18.908 -4.823 1.00 45.27 C +ATOM 46 CE2 PHE A 892 -12.944 -17.110 -3.362 1.00 46.87 C +ATOM 47 CZ PHE A 892 -13.211 -17.944 -4.440 1.00 44.38 C +ATOM 48 H PHE A 892 -9.787 -17.438 0.287 1.00 49.19 H +ATOM 49 HA PHE A 892 -10.371 -20.052 -1.044 1.00 47.07 H +ATOM 50 HB3 PHE A 892 -8.819 -18.942 -2.845 1.00 45.10 H +ATOM 51 HB2 PHE A 892 -9.116 -17.444 -2.011 1.00 45.10 H +ATOM 52 HD1 PHE A 892 -10.391 -19.801 -4.420 1.00 44.87 H +ATOM 53 HD2 PHE A 892 -11.569 -16.581 -1.809 1.00 45.07 H +ATOM 54 HE1 PHE A 892 -12.501 -19.556 -5.660 1.00 45.27 H +ATOM 55 HE2 PHE A 892 -13.672 -16.374 -3.064 1.00 46.87 H +ATOM 56 HZ PHE A 892 -14.142 -17.847 -4.977 1.00 44.38 H +ATOM 57 N HIS A 893 -8.096 -20.961 -0.436 1.00 50.80 N +ATOM 58 CA HIS A 893 -6.829 -21.549 0.015 1.00 51.86 C +ATOM 59 C HIS A 893 -5.854 -21.664 -1.167 1.00 53.50 C +ATOM 60 O HIS A 893 -6.229 -22.208 -2.207 1.00 52.26 O +ATOM 61 CB HIS A 893 -7.080 -22.921 0.672 1.00 55.68 C +ATOM 62 CG HIS A 893 -8.193 -22.954 1.691 1.00 61.81 C +ATOM 63 ND1 HIS A 893 -9.452 -23.496 1.413 1.00 65.50 N +ATOM 64 CD2 HIS A 893 -8.184 -22.495 2.993 1.00 65.19 C +ATOM 65 CE1 HIS A 893 -10.148 -23.333 2.531 1.00 67.02 C +ATOM 66 NE2 HIS A 893 -9.446 -22.747 3.501 1.00 67.16 N +ATOM 67 H HIS A 893 -8.769 -21.596 -0.844 1.00 50.80 H +ATOM 68 HA HIS A 893 -6.383 -20.908 0.779 1.00 51.86 H +ATOM 69 HB3 HIS A 893 -6.171 -23.242 1.179 1.00 55.68 H +ATOM 70 HB2 HIS A 893 -7.292 -23.675 -0.087 1.00 55.68 H +ATOM 71 HD2 HIS A 893 -7.410 -22.016 3.574 1.00 65.19 H +ATOM 72 HE1 HIS A 893 -11.176 -23.645 2.643 1.00 67.02 H +ATOM 73 HE2 HIS A 893 -9.776 -22.523 4.430 1.00 67.16 H +ATOM 74 N LYS A 894 -4.615 -21.166 -0.990 1.00 50.22 N +ATOM 75 CA LYS A 894 -3.603 -21.102 -2.055 1.00 49.02 C +ATOM 76 C LYS A 894 -3.093 -22.481 -2.531 1.00 53.09 C +ATOM 77 O LYS A 894 -2.649 -22.591 -3.672 1.00 51.68 O +ATOM 78 CB LYS A 894 -2.443 -20.167 -1.638 1.00 52.12 C +ATOM 79 CG LYS A 894 -1.600 -19.701 -2.841 1.00 67.25 C +ATOM 80 CD LYS A 894 -0.571 -18.609 -2.518 1.00 79.06 C +ATOM 81 CE LYS A 894 0.105 -18.102 -3.806 1.00 86.18 C +ATOM 82 NZ LYS A 894 1.179 -17.132 -3.537 1.00 95.28 N1+ +ATOM 83 H LYS A 894 -4.367 -20.734 -0.111 1.00 50.22 H +ATOM 84 HA LYS A 894 -4.096 -20.649 -2.916 1.00 49.02 H +ATOM 85 HB3 LYS A 894 -1.815 -20.639 -0.881 1.00 52.12 H +ATOM 86 HB2 LYS A 894 -2.857 -19.278 -1.165 1.00 52.12 H +ATOM 87 HG3 LYS A 894 -2.267 -19.334 -3.621 1.00 67.25 H +ATOM 88 HG2 LYS A 894 -1.071 -20.551 -3.272 1.00 67.25 H +ATOM 89 HD3 LYS A 894 0.177 -19.010 -1.831 1.00 79.06 H +ATOM 90 HD2 LYS A 894 -1.058 -17.783 -1.996 1.00 79.06 H +ATOM 91 HE3 LYS A 894 -0.633 -17.631 -4.457 1.00 86.18 H +ATOM 92 HE2 LYS A 894 0.534 -18.936 -4.361 1.00 86.18 H +ATOM 93 HZ1 LYS A 894 1.906 -17.573 -2.992 1.00 95.28 H +ATOM 94 HZ2 LYS A 894 1.567 -16.796 -4.406 1.00 95.28 H +ATOM 95 HZ3 LYS A 894 0.818 -16.346 -3.009 1.00 95.28 H +ATOM 96 N ARG A 895 -3.219 -23.513 -1.678 1.00 51.74 N +ATOM 97 CA ARG A 895 -2.936 -24.922 -1.981 1.00 52.94 C +ATOM 98 C ARG A 895 -3.820 -25.522 -3.099 1.00 55.31 C +ATOM 99 O ARG A 895 -3.417 -26.518 -3.700 1.00 55.61 O +ATOM 100 CB ARG A 895 -3.055 -25.742 -0.675 1.00 57.62 C +ATOM 101 CG ARG A 895 -4.449 -25.700 -0.018 1.00 70.70 C +ATOM 102 CD ARG A 895 -4.551 -26.532 1.269 1.00 85.20 C +ATOM 103 NE ARG A 895 -5.826 -26.282 1.965 1.00 97.62 N +ATOM 104 CZ ARG A 895 -6.474 -27.088 2.829 1.00116.87 C +ATOM 105 NH1 ARG A 895 -6.007 -28.297 3.178 1.00109.22 N +ATOM 106 NH2 ARG A 895 -7.629 -26.662 3.356 1.00103.80 N1+ +ATOM 107 H ARG A 895 -3.593 -23.332 -0.758 1.00 51.74 H +ATOM 108 HA ARG A 895 -1.902 -24.980 -2.325 1.00 52.94 H +ATOM 109 HB3 ARG A 895 -2.322 -25.366 0.041 1.00 57.62 H +ATOM 110 HB2 ARG A 895 -2.772 -26.779 -0.866 1.00 57.62 H +ATOM 111 HG3 ARG A 895 -5.142 -26.145 -0.732 1.00 70.70 H +ATOM 112 HG2 ARG A 895 -4.799 -24.681 0.135 1.00 70.70 H +ATOM 113 HD3 ARG A 895 -3.681 -26.417 1.916 1.00 85.20 H +ATOM 114 HD2 ARG A 895 -4.581 -27.578 0.965 1.00 85.20 H +ATOM 115 HE ARG A 895 -6.255 -25.393 1.754 1.00 97.62 H +ATOM 116 HH12 ARG A 895 -6.515 -28.879 3.827 1.00109.22 H +ATOM 117 HH11 ARG A 895 -5.149 -28.646 2.769 1.00109.22 H +ATOM 118 HH22 ARG A 895 -8.146 -27.249 3.995 1.00103.80 H +ATOM 119 HH21 ARG A 895 -8.011 -25.764 3.096 1.00103.80 H +ATOM 120 N TYR A 896 -4.993 -24.917 -3.353 1.00 49.98 N +ATOM 121 CA TYR A 896 -5.948 -25.341 -4.378 1.00 49.28 C +ATOM 122 C TYR A 896 -5.900 -24.464 -5.642 1.00 50.16 C +ATOM 123 O TYR A 896 -6.491 -24.862 -6.644 1.00 48.17 O +ATOM 124 CB TYR A 896 -7.364 -25.348 -3.770 1.00 51.36 C +ATOM 125 CG TYR A 896 -7.587 -26.246 -2.560 1.00 55.87 C +ATOM 126 CD1 TYR A 896 -6.988 -27.524 -2.475 1.00 59.63 C +ATOM 127 CD2 TYR A 896 -8.449 -25.818 -1.529 1.00 57.59 C +ATOM 128 CE1 TYR A 896 -7.261 -28.365 -1.380 1.00 63.33 C +ATOM 129 CE2 TYR A 896 -8.717 -26.657 -0.430 1.00 61.39 C +ATOM 130 CZ TYR A 896 -8.130 -27.935 -0.360 1.00 71.07 C +ATOM 131 OH TYR A 896 -8.409 -28.757 0.692 1.00 74.22 O +ATOM 132 H TYR A 896 -5.258 -24.104 -2.814 1.00 49.98 H +ATOM 133 HA TYR A 896 -5.716 -26.351 -4.712 1.00 49.28 H +ATOM 134 HB3 TYR A 896 -8.095 -25.639 -4.525 1.00 51.36 H +ATOM 135 HB2 TYR A 896 -7.618 -24.330 -3.482 1.00 51.36 H +ATOM 136 HD1 TYR A 896 -6.338 -27.885 -3.257 1.00 59.63 H +ATOM 137 HD2 TYR A 896 -8.922 -24.848 -1.582 1.00 57.59 H +ATOM 138 HE1 TYR A 896 -6.810 -29.346 -1.334 1.00 63.33 H +ATOM 139 HE2 TYR A 896 -9.385 -26.322 0.350 1.00 61.39 H +ATOM 140 HH TYR A 896 -7.997 -29.621 0.612 1.00 74.22 H +ATOM 141 N LEU A 897 -5.197 -23.318 -5.597 1.00 46.72 N +ATOM 142 CA LEU A 897 -5.001 -22.416 -6.732 1.00 44.74 C +ATOM 143 C LEU A 897 -3.851 -22.919 -7.625 1.00 48.16 C +ATOM 144 O LEU A 897 -2.685 -22.753 -7.264 1.00 48.59 O +ATOM 145 CB LEU A 897 -4.714 -20.987 -6.202 1.00 44.20 C +ATOM 146 CG LEU A 897 -5.924 -20.222 -5.622 1.00 48.88 C +ATOM 147 CD1 LEU A 897 -5.488 -18.979 -4.825 1.00 51.85 C +ATOM 148 CD2 LEU A 897 -6.961 -19.837 -6.697 1.00 47.58 C +ATOM 149 H LEU A 897 -4.710 -23.068 -4.748 1.00 46.72 H +ATOM 150 HA LEU A 897 -5.907 -22.403 -7.338 1.00 44.74 H +ATOM 151 HB3 LEU A 897 -4.297 -20.372 -6.995 1.00 44.20 H +ATOM 152 HB2 LEU A 897 -3.930 -21.049 -5.447 1.00 44.20 H +ATOM 153 HG LEU A 897 -6.405 -20.889 -4.908 1.00 48.88 H +ATOM 154 HD11 LEU A 897 -5.824 -19.067 -3.792 1.00 51.85 H +ATOM 155 HD12 LEU A 897 -4.406 -18.850 -4.810 1.00 51.85 H +ATOM 156 HD13 LEU A 897 -5.915 -18.056 -5.220 1.00 51.85 H +ATOM 157 HD21 LEU A 897 -7.934 -19.654 -6.242 1.00 47.58 H +ATOM 158 HD22 LEU A 897 -6.673 -18.927 -7.224 1.00 47.58 H +ATOM 159 HD23 LEU A 897 -7.099 -20.607 -7.454 1.00 47.58 H +ATOM 160 N LYS A 898 -4.206 -23.500 -8.784 1.00 44.15 N +ATOM 161 CA LYS A 898 -3.275 -23.916 -9.836 1.00 44.11 C +ATOM 162 C LYS A 898 -3.159 -22.787 -10.871 1.00 46.50 C +ATOM 163 O LYS A 898 -4.147 -22.500 -11.546 1.00 45.72 O +ATOM 164 CB LYS A 898 -3.788 -25.205 -10.521 1.00 48.28 C +ATOM 165 CG LYS A 898 -3.559 -26.517 -9.749 1.00 70.59 C +ATOM 166 CD LYS A 898 -4.421 -26.693 -8.490 1.00 82.83 C +ATOM 167 CE LYS A 898 -4.393 -28.144 -7.981 1.00 97.68 C +ATOM 168 NZ LYS A 898 -5.185 -28.320 -6.753 1.00107.26 N1+ +ATOM 169 H LYS A 898 -5.188 -23.612 -9.002 1.00 44.15 H +ATOM 170 HA LYS A 898 -2.289 -24.117 -9.411 1.00 44.11 H +ATOM 171 HB3 LYS A 898 -3.252 -25.321 -11.464 1.00 48.28 H +ATOM 172 HB2 LYS A 898 -4.839 -25.106 -10.797 1.00 48.28 H +ATOM 173 HG3 LYS A 898 -2.505 -26.604 -9.484 1.00 70.59 H +ATOM 174 HG2 LYS A 898 -3.761 -27.344 -10.431 1.00 70.59 H +ATOM 175 HD3 LYS A 898 -5.444 -26.381 -8.702 1.00 82.83 H +ATOM 176 HD2 LYS A 898 -4.049 -26.031 -7.707 1.00 82.83 H +ATOM 177 HE3 LYS A 898 -3.368 -28.453 -7.777 1.00 97.68 H +ATOM 178 HE2 LYS A 898 -4.788 -28.816 -8.743 1.00 97.68 H +ATOM 179 HZ1 LYS A 898 -4.817 -27.724 -6.025 1.00107.26 H +ATOM 180 HZ2 LYS A 898 -6.153 -28.082 -6.930 1.00107.26 H +ATOM 181 HZ3 LYS A 898 -5.133 -29.284 -6.455 1.00107.26 H +ATOM 182 N LYS A 899 -1.972 -22.166 -10.979 1.00 42.86 N +ATOM 183 CA LYS A 899 -1.712 -21.052 -11.897 1.00 42.35 C +ATOM 184 C LYS A 899 -1.708 -21.508 -13.365 1.00 45.75 C +ATOM 185 O LYS A 899 -1.008 -22.465 -13.695 1.00 46.24 O +ATOM 186 CB LYS A 899 -0.382 -20.375 -11.512 1.00 45.46 C +ATOM 187 CG LYS A 899 -0.117 -19.063 -12.271 1.00 54.73 C +ATOM 188 CD LYS A 899 1.114 -18.319 -11.740 1.00 64.90 C +ATOM 189 CE LYS A 899 1.426 -17.068 -12.571 1.00 74.92 C +ATOM 190 NZ LYS A 899 2.594 -16.337 -12.051 1.00 84.51 N1+ +ATOM 191 H LYS A 899 -1.198 -22.461 -10.402 1.00 42.86 H +ATOM 192 HA LYS A 899 -2.511 -20.319 -11.766 1.00 42.35 H +ATOM 193 HB3 LYS A 899 0.450 -21.065 -11.661 1.00 45.46 H +ATOM 194 HB2 LYS A 899 -0.393 -20.156 -10.446 1.00 45.46 H +ATOM 195 HG3 LYS A 899 -0.991 -18.414 -12.196 1.00 54.73 H +ATOM 196 HG2 LYS A 899 0.021 -19.269 -13.333 1.00 54.73 H +ATOM 197 HD3 LYS A 899 1.973 -18.993 -11.741 1.00 64.90 H +ATOM 198 HD2 LYS A 899 0.939 -18.039 -10.700 1.00 64.90 H +ATOM 199 HE3 LYS A 899 0.570 -16.395 -12.579 1.00 74.92 H +ATOM 200 HE2 LYS A 899 1.622 -17.344 -13.608 1.00 74.92 H +ATOM 201 HZ1 LYS A 899 2.755 -15.539 -12.651 1.00 84.51 H +ATOM 202 HZ2 LYS A 899 2.411 -16.027 -11.108 1.00 84.51 H +ATOM 203 HZ3 LYS A 899 3.406 -16.938 -12.065 1.00 84.51 H +ATOM 204 N ILE A 900 -2.473 -20.796 -14.207 1.00 41.32 N +ATOM 205 CA ILE A 900 -2.604 -21.076 -15.636 1.00 41.22 C +ATOM 206 C ILE A 900 -1.686 -20.142 -16.451 1.00 44.92 C +ATOM 207 O ILE A 900 -0.918 -20.640 -17.272 1.00 45.41 O +ATOM 208 CB ILE A 900 -4.078 -20.931 -16.133 1.00 44.36 C +ATOM 209 CG1 ILE A 900 -5.025 -21.868 -15.338 1.00 45.50 C +ATOM 210 CG2 ILE A 900 -4.224 -21.186 -17.654 1.00 46.17 C +ATOM 211 CD1 ILE A 900 -6.527 -21.664 -15.604 1.00 56.14 C +ATOM 212 H ILE A 900 -3.010 -20.012 -13.856 1.00 41.32 H +ATOM 213 HA ILE A 900 -2.293 -22.103 -15.839 1.00 41.22 H +ATOM 214 HB ILE A 900 -4.399 -19.906 -15.939 1.00 44.36 H +ATOM 215 HG13 ILE A 900 -4.869 -21.739 -14.267 1.00 45.50 H +ATOM 216 HG12 ILE A 900 -4.762 -22.906 -15.546 1.00 45.50 H +ATOM 217 HG21 ILE A 900 -5.257 -21.102 -17.988 1.00 46.17 H +ATOM 218 HG22 ILE A 900 -3.655 -20.476 -18.252 1.00 46.17 H +ATOM 219 HG23 ILE A 900 -3.880 -22.187 -17.914 1.00 46.17 H +ATOM 220 HD11 ILE A 900 -6.981 -22.574 -15.996 1.00 56.14 H +ATOM 221 HD12 ILE A 900 -7.057 -21.403 -14.689 1.00 56.14 H +ATOM 222 HD13 ILE A 900 -6.724 -20.869 -16.318 1.00 56.14 H +ATOM 223 N ARG A 901 -1.769 -18.822 -16.202 1.00 40.97 N +ATOM 224 CA ARG A 901 -0.997 -17.785 -16.899 1.00 41.13 C +ATOM 225 C ARG A 901 -1.153 -16.426 -16.197 1.00 44.46 C +ATOM 226 O ARG A 901 -2.028 -16.266 -15.349 1.00 43.07 O +ATOM 227 CB ARG A 901 -1.415 -17.689 -18.393 1.00 41.29 C +ATOM 228 CG ARG A 901 -2.893 -17.330 -18.655 1.00 52.38 C +ATOM 229 CD ARG A 901 -3.184 -17.151 -20.154 1.00 59.92 C +ATOM 230 NE ARG A 901 -4.626 -17.047 -20.439 1.00 68.07 N +ATOM 231 CZ ARG A 901 -5.470 -18.056 -20.731 1.00 83.41 C +ATOM 232 NH1 ARG A 901 -5.064 -19.333 -20.802 1.00 64.57 N +ATOM 233 NH2 ARG A 901 -6.760 -17.779 -20.958 1.00 77.22 N1+ +ATOM 234 H ARG A 901 -2.406 -18.484 -15.493 1.00 40.97 H +ATOM 235 HA ARG A 901 0.058 -18.059 -16.843 1.00 41.13 H +ATOM 236 HB3 ARG A 901 -1.194 -18.631 -18.895 1.00 41.29 H +ATOM 237 HB2 ARG A 901 -0.782 -16.954 -18.894 1.00 41.29 H +ATOM 238 HG3 ARG A 901 -3.069 -16.365 -18.179 1.00 52.38 H +ATOM 239 HG2 ARG A 901 -3.588 -18.026 -18.182 1.00 52.38 H +ATOM 240 HD3 ARG A 901 -2.658 -17.871 -20.782 1.00 59.92 H +ATOM 241 HD2 ARG A 901 -2.800 -16.172 -20.446 1.00 59.92 H +ATOM 242 HE ARG A 901 -5.007 -16.113 -20.381 1.00 68.07 H +ATOM 243 HH12 ARG A 901 -5.714 -20.071 -21.028 1.00 64.57 H +ATOM 244 HH11 ARG A 901 -4.093 -19.560 -20.642 1.00 64.57 H +ATOM 245 HH22 ARG A 901 -7.411 -18.517 -21.182 1.00 77.22 H +ATOM 246 HH21 ARG A 901 -7.103 -16.830 -20.897 1.00 77.22 H +ATOM 247 N ASP A 902 -0.327 -15.455 -16.617 1.00 41.92 N +ATOM 248 CA ASP A 902 -0.466 -14.033 -16.281 1.00 41.86 C +ATOM 249 C ASP A 902 -1.534 -13.379 -17.179 1.00 43.46 C +ATOM 250 O ASP A 902 -1.649 -13.756 -18.347 1.00 42.68 O +ATOM 251 CB ASP A 902 0.870 -13.255 -16.417 1.00 46.10 C +ATOM 252 CG ASP A 902 2.075 -13.816 -15.638 1.00 63.12 C +ATOM 253 OD1 ASP A 902 1.868 -14.510 -14.618 1.00 62.46 O +ATOM 254 OD2 ASP A 902 3.207 -13.412 -15.980 1.00 75.36 O1- +ATOM 255 H ASP A 902 0.372 -15.668 -17.314 1.00 41.92 H +ATOM 256 HA ASP A 902 -0.795 -13.952 -15.245 1.00 41.86 H +ATOM 257 HB3 ASP A 902 0.722 -12.227 -16.081 1.00 46.10 H +ATOM 258 HB2 ASP A 902 1.153 -13.205 -17.470 1.00 46.10 H +ATOM 259 N LEU A 903 -2.271 -12.398 -16.628 1.00 39.42 N +ATOM 260 CA LEU A 903 -3.273 -11.609 -17.359 1.00 38.97 C +ATOM 261 C LEU A 903 -2.810 -10.164 -17.625 1.00 45.51 C +ATOM 262 O LEU A 903 -3.374 -9.534 -18.520 1.00 47.25 O +ATOM 263 CB LEU A 903 -4.619 -11.607 -16.593 1.00 37.74 C +ATOM 264 CG LEU A 903 -5.296 -12.990 -16.448 1.00 40.14 C +ATOM 265 CD1 LEU A 903 -6.586 -12.886 -15.603 1.00 39.42 C +ATOM 266 CD2 LEU A 903 -5.545 -13.682 -17.807 1.00 39.39 C +ATOM 267 H LEU A 903 -2.124 -12.142 -15.660 1.00 39.42 H +ATOM 268 HA LEU A 903 -3.440 -12.040 -18.346 1.00 38.97 H +ATOM 269 HB3 LEU A 903 -5.320 -10.938 -17.097 1.00 37.74 H +ATOM 270 HB2 LEU A 903 -4.461 -11.178 -15.603 1.00 37.74 H +ATOM 271 HG LEU A 903 -4.609 -13.626 -15.891 1.00 40.14 H +ATOM 272 HD11 LEU A 903 -7.473 -13.231 -16.134 1.00 39.42 H +ATOM 273 HD12 LEU A 903 -6.505 -13.482 -14.694 1.00 39.42 H +ATOM 274 HD13 LEU A 903 -6.792 -11.860 -15.296 1.00 39.42 H +ATOM 275 HD21 LEU A 903 -6.525 -14.154 -17.871 1.00 39.39 H +ATOM 276 HD22 LEU A 903 -5.480 -12.984 -18.642 1.00 39.39 H +ATOM 277 HD23 LEU A 903 -4.806 -14.466 -17.979 1.00 39.39 H +ATOM 278 N GLY A 904 -1.802 -9.669 -16.884 1.00 41.87 N +ATOM 279 CA GLY A 904 -1.253 -8.324 -17.054 1.00 43.49 C +ATOM 280 C GLY A 904 -1.005 -7.670 -15.690 1.00 48.38 C +ATOM 281 O GLY A 904 -1.010 -8.335 -14.653 1.00 47.59 O +ATOM 282 H GLY A 904 -1.396 -10.235 -16.152 1.00 41.87 H +ATOM 283 HA3 GLY A 904 -1.915 -7.681 -17.638 1.00 43.49 H +ATOM 284 HA2 GLY A 904 -0.308 -8.393 -17.594 1.00 43.49 H +ATOM 285 N GLU A 905 -0.757 -6.351 -15.724 1.00 46.73 N +ATOM 286 CA GLU A 905 -0.417 -5.520 -14.569 1.00 47.46 C +ATOM 287 C GLU A 905 -1.527 -4.496 -14.305 1.00 51.67 C +ATOM 288 O GLU A 905 -1.856 -3.713 -15.197 1.00 51.35 O +ATOM 289 CB GLU A 905 0.926 -4.797 -14.834 1.00 51.27 C +ATOM 290 CG GLU A 905 2.146 -5.732 -15.018 1.00 66.56 C +ATOM 291 CD GLU A 905 2.576 -6.520 -13.769 1.00 94.70 C +ATOM 292 OE1 GLU A 905 2.395 -6.005 -12.643 1.00 96.75 O +ATOM 293 OE2 GLU A 905 3.103 -7.639 -13.964 1.00 86.75 O1- +ATOM 294 H GLU A 905 -0.773 -5.869 -16.611 1.00 46.73 H +ATOM 295 HA GLU A 905 -0.307 -6.133 -13.677 1.00 47.46 H +ATOM 296 HB3 GLU A 905 1.125 -4.080 -14.036 1.00 51.27 H +ATOM 297 HB2 GLU A 905 0.832 -4.191 -15.737 1.00 51.27 H +ATOM 298 HG3 GLU A 905 3.002 -5.131 -15.326 1.00 66.56 H +ATOM 299 HG2 GLU A 905 1.960 -6.422 -15.843 1.00 66.56 H +ATOM 300 N GLY A 906 -2.038 -4.492 -13.063 1.00 48.81 N +ATOM 301 CA GLY A 906 -2.898 -3.437 -12.529 1.00 50.44 C +ATOM 302 C GLY A 906 -2.033 -2.425 -11.758 1.00 59.13 C +ATOM 303 O GLY A 906 -0.802 -2.468 -11.826 1.00 59.62 O +ATOM 304 H GLY A 906 -1.693 -5.164 -12.391 1.00 48.81 H +ATOM 305 HA3 GLY A 906 -3.632 -3.885 -11.863 1.00 50.44 H +ATOM 306 HA2 GLY A 906 -3.453 -2.925 -13.317 1.00 50.44 H +ATOM 307 N HIS A 907 -2.685 -1.495 -11.037 1.00 58.87 N +ATOM 308 CA HIS A 907 -2.024 -0.392 -10.326 1.00 61.58 C +ATOM 309 C HIS A 907 -1.031 -0.830 -9.225 1.00 65.75 C +ATOM 310 O HIS A 907 0.140 -0.461 -9.313 1.00 67.01 O +ATOM 311 CB HIS A 907 -3.071 0.615 -9.806 1.00 64.07 C +ATOM 312 CG HIS A 907 -2.464 1.855 -9.191 1.00 71.10 C +ATOM 313 ND1 HIS A 907 -2.421 2.072 -7.824 1.00 74.01 N +ATOM 314 CD2 HIS A 907 -1.844 2.946 -9.759 1.00 75.68 C +ATOM 315 CE1 HIS A 907 -1.781 3.227 -7.629 1.00 76.67 C +ATOM 316 NE2 HIS A 907 -1.401 3.813 -8.758 1.00 78.22 N +ATOM 317 H HIS A 907 -3.695 -1.465 -11.060 1.00 58.87 H +ATOM 318 HA HIS A 907 -1.436 0.136 -11.080 1.00 61.58 H +ATOM 319 HB3 HIS A 907 -3.722 0.137 -9.074 1.00 64.07 H +ATOM 320 HB2 HIS A 907 -3.717 0.935 -10.625 1.00 64.07 H +ATOM 321 HD1 HIS A 907 -2.801 1.473 -7.103 1.00 74.01 H +ATOM 322 HD2 HIS A 907 -1.664 3.165 -10.801 1.00 75.68 H +ATOM 323 HE1 HIS A 907 -1.598 3.647 -6.651 1.00 76.67 H +ATOM 324 N PHE A 908 -1.500 -1.593 -8.220 1.00 61.05 N +ATOM 325 CA PHE A 908 -0.670 -2.041 -7.090 1.00 61.65 C +ATOM 326 C PHE A 908 0.158 -3.312 -7.352 1.00 63.63 C +ATOM 327 O PHE A 908 1.051 -3.603 -6.555 1.00 65.29 O +ATOM 328 CB PHE A 908 -1.529 -2.186 -5.816 1.00 63.30 C +ATOM 329 CG PHE A 908 -2.026 -0.870 -5.245 1.00 67.27 C +ATOM 330 CD1 PHE A 908 -1.113 0.118 -4.816 1.00 73.63 C +ATOM 331 CD2 PHE A 908 -3.407 -0.616 -5.143 1.00 68.80 C +ATOM 332 CE1 PHE A 908 -1.582 1.333 -4.333 1.00 76.93 C +ATOM 333 CE2 PHE A 908 -3.854 0.595 -4.639 1.00 73.69 C +ATOM 334 CZ PHE A 908 -2.947 1.573 -4.254 1.00 75.01 C +ATOM 335 H PHE A 908 -2.475 -1.851 -8.194 1.00 61.05 H +ATOM 336 HA PHE A 908 0.075 -1.268 -6.889 1.00 61.65 H +ATOM 337 HB3 PHE A 908 -0.967 -2.687 -5.026 1.00 63.30 H +ATOM 338 HB2 PHE A 908 -2.382 -2.833 -6.027 1.00 63.30 H +ATOM 339 HD1 PHE A 908 -0.050 -0.062 -4.872 1.00 73.63 H +ATOM 340 HD2 PHE A 908 -4.123 -1.361 -5.449 1.00 68.80 H +ATOM 341 HE1 PHE A 908 -0.886 2.096 -4.018 1.00 76.93 H +ATOM 342 HE2 PHE A 908 -4.914 0.778 -4.550 1.00 73.69 H +ATOM 343 HZ PHE A 908 -3.306 2.520 -3.880 1.00 75.01 H +ATOM 344 N GLY A 909 -0.118 -4.030 -8.451 1.00 56.05 N +ATOM 345 CA GLY A 909 0.641 -5.220 -8.813 1.00 53.59 C +ATOM 346 C GLY A 909 -0.135 -6.069 -9.822 1.00 52.99 C +ATOM 347 O GLY A 909 -1.181 -5.674 -10.342 1.00 51.95 O +ATOM 348 H GLY A 909 -0.847 -3.737 -9.086 1.00 56.05 H +ATOM 349 HA3 GLY A 909 0.870 -5.821 -7.931 1.00 53.59 H +ATOM 350 HA2 GLY A 909 1.590 -4.917 -9.258 1.00 53.59 H +ATOM 351 N LYS A 910 0.446 -7.242 -10.114 1.00 47.39 N +ATOM 352 CA LYS A 910 0.039 -8.174 -11.161 1.00 44.86 C +ATOM 353 C LYS A 910 -1.302 -8.879 -10.907 1.00 43.37 C +ATOM 354 O LYS A 910 -1.655 -9.140 -9.759 1.00 42.02 O +ATOM 355 CB LYS A 910 1.174 -9.198 -11.371 1.00 48.19 C +ATOM 356 CG LYS A 910 1.463 -10.135 -10.177 1.00 70.18 C +ATOM 357 CD LYS A 910 2.696 -11.044 -10.355 1.00 80.07 C +ATOM 358 CE LYS A 910 2.500 -12.254 -11.290 1.00 90.27 C +ATOM 359 NZ LYS A 910 2.509 -11.895 -12.720 1.00 99.37 N1+ +ATOM 360 H LYS A 910 1.299 -7.487 -9.634 1.00 47.39 H +ATOM 361 HA LYS A 910 -0.058 -7.598 -12.079 1.00 44.86 H +ATOM 362 HB3 LYS A 910 2.088 -8.663 -11.624 1.00 48.19 H +ATOM 363 HB2 LYS A 910 0.918 -9.787 -12.250 1.00 48.19 H +ATOM 364 HG3 LYS A 910 0.595 -10.759 -9.970 1.00 70.18 H +ATOM 365 HG2 LYS A 910 1.611 -9.535 -9.280 1.00 70.18 H +ATOM 366 HD3 LYS A 910 2.986 -11.415 -9.371 1.00 80.07 H +ATOM 367 HD2 LYS A 910 3.543 -10.445 -10.692 1.00 80.07 H +ATOM 368 HE3 LYS A 910 1.575 -12.777 -11.046 1.00 90.27 H +ATOM 369 HE2 LYS A 910 3.311 -12.965 -11.133 1.00 90.27 H +ATOM 370 HZ1 LYS A 910 1.759 -11.248 -12.914 1.00 99.37 H +ATOM 371 HZ2 LYS A 910 3.388 -11.459 -12.961 1.00 99.37 H +ATOM 372 HZ3 LYS A 910 2.383 -12.725 -13.287 1.00 99.37 H +ATOM 373 N VAL A 911 -1.971 -9.225 -12.016 1.00 37.15 N +ATOM 374 CA VAL A 911 -3.138 -10.101 -12.065 1.00 34.94 C +ATOM 375 C VAL A 911 -2.732 -11.374 -12.827 1.00 36.97 C +ATOM 376 O VAL A 911 -2.030 -11.287 -13.838 1.00 35.74 O +ATOM 377 CB VAL A 911 -4.323 -9.449 -12.832 1.00 38.64 C +ATOM 378 CG1 VAL A 911 -5.604 -10.312 -12.836 1.00 37.50 C +ATOM 379 CG2 VAL A 911 -4.665 -8.046 -12.301 1.00 39.45 C +ATOM 380 H VAL A 911 -1.594 -8.964 -12.919 1.00 37.15 H +ATOM 381 HA VAL A 911 -3.461 -10.380 -11.067 1.00 34.94 H +ATOM 382 HB VAL A 911 -4.013 -9.331 -13.869 1.00 38.64 H +ATOM 383 HG11 VAL A 911 -6.413 -9.808 -13.365 1.00 37.50 H +ATOM 384 HG12 VAL A 911 -5.459 -11.273 -13.327 1.00 37.50 H +ATOM 385 HG13 VAL A 911 -5.949 -10.509 -11.820 1.00 37.50 H +ATOM 386 HG21 VAL A 911 -5.489 -7.603 -12.859 1.00 39.45 H +ATOM 387 HG22 VAL A 911 -4.967 -8.091 -11.259 1.00 39.45 H +ATOM 388 HG23 VAL A 911 -3.822 -7.359 -12.381 1.00 39.45 H +ATOM 389 N SER A 912 -3.188 -12.530 -12.325 1.00 32.82 N +ATOM 390 CA SER A 912 -2.920 -13.839 -12.909 1.00 32.44 C +ATOM 391 C SER A 912 -4.187 -14.693 -12.861 1.00 36.01 C +ATOM 392 O SER A 912 -4.950 -14.617 -11.899 1.00 34.87 O +ATOM 393 CB SER A 912 -1.780 -14.527 -12.136 1.00 36.04 C +ATOM 394 OG SER A 912 -0.549 -13.884 -12.379 1.00 45.71 O +ATOM 395 H SER A 912 -3.765 -12.527 -11.494 1.00 32.82 H +ATOM 396 HA SER A 912 -2.642 -13.737 -13.958 1.00 32.44 H +ATOM 397 HB3 SER A 912 -1.683 -15.572 -12.436 1.00 36.04 H +ATOM 398 HB2 SER A 912 -1.975 -14.516 -11.066 1.00 36.04 H +ATOM 399 HG SER A 912 -0.594 -13.012 -11.977 1.00 45.71 H +ATOM 400 N LEU A 913 -4.360 -15.518 -13.900 1.00 32.94 N +ATOM 401 CA LEU A 913 -5.421 -16.505 -14.016 1.00 32.73 C +ATOM 402 C LEU A 913 -5.002 -17.794 -13.295 1.00 36.98 C +ATOM 403 O LEU A 913 -3.924 -18.324 -13.568 1.00 35.71 O +ATOM 404 CB LEU A 913 -5.708 -16.725 -15.517 1.00 33.31 C +ATOM 405 CG LEU A 913 -6.770 -17.793 -15.857 1.00 38.67 C +ATOM 406 CD1 LEU A 913 -8.125 -17.524 -15.168 1.00 39.26 C +ATOM 407 CD2 LEU A 913 -6.897 -17.945 -17.387 1.00 40.96 C +ATOM 408 H LEU A 913 -3.653 -15.554 -14.623 1.00 32.94 H +ATOM 409 HA LEU A 913 -6.319 -16.103 -13.545 1.00 32.73 H +ATOM 410 HB3 LEU A 913 -4.776 -16.989 -16.019 1.00 33.31 H +ATOM 411 HB2 LEU A 913 -6.024 -15.778 -15.951 1.00 33.31 H +ATOM 412 HG LEU A 913 -6.411 -18.748 -15.479 1.00 38.67 H +ATOM 413 HD11 LEU A 913 -8.969 -17.675 -15.835 1.00 39.26 H +ATOM 414 HD12 LEU A 913 -8.270 -18.198 -14.324 1.00 39.26 H +ATOM 415 HD13 LEU A 913 -8.203 -16.505 -14.788 1.00 39.26 H +ATOM 416 HD21 LEU A 913 -6.656 -18.960 -17.702 1.00 40.96 H +ATOM 417 HD22 LEU A 913 -7.896 -17.721 -17.755 1.00 40.96 H +ATOM 418 HD23 LEU A 913 -6.216 -17.279 -17.917 1.00 40.96 H +ATOM 419 N TYR A 914 -5.887 -18.270 -12.410 1.00 34.34 N +ATOM 420 CA TYR A 914 -5.761 -19.522 -11.672 1.00 35.26 C +ATOM 421 C TYR A 914 -7.035 -20.352 -11.864 1.00 40.97 C +ATOM 422 O TYR A 914 -8.122 -19.790 -11.984 1.00 41.41 O +ATOM 423 CB TYR A 914 -5.585 -19.230 -10.167 1.00 36.25 C +ATOM 424 CG TYR A 914 -4.258 -18.632 -9.738 1.00 37.55 C +ATOM 425 CD1 TYR A 914 -3.251 -19.461 -9.207 1.00 41.10 C +ATOM 426 CD2 TYR A 914 -4.046 -17.242 -9.800 1.00 37.73 C +ATOM 427 CE1 TYR A 914 -2.054 -18.909 -8.717 1.00 42.72 C +ATOM 428 CE2 TYR A 914 -2.845 -16.686 -9.315 1.00 39.24 C +ATOM 429 CZ TYR A 914 -1.847 -17.519 -8.776 1.00 49.59 C +ATOM 430 OH TYR A 914 -0.685 -16.979 -8.308 1.00 54.45 O +ATOM 431 H TYR A 914 -6.749 -17.762 -12.251 1.00 34.34 H +ATOM 432 HA TYR A 914 -4.909 -20.094 -12.040 1.00 35.26 H +ATOM 433 HB3 TYR A 914 -5.705 -20.158 -9.605 1.00 36.25 H +ATOM 434 HB2 TYR A 914 -6.386 -18.578 -9.817 1.00 36.25 H +ATOM 435 HD1 TYR A 914 -3.405 -20.526 -9.149 1.00 41.10 H +ATOM 436 HD2 TYR A 914 -4.816 -16.599 -10.198 1.00 37.73 H +ATOM 437 HE1 TYR A 914 -1.299 -19.558 -8.297 1.00 42.72 H +ATOM 438 HE2 TYR A 914 -2.701 -15.617 -9.335 1.00 39.24 H +ATOM 439 HH TYR A 914 -0.088 -17.635 -7.941 1.00 54.45 H +ATOM 440 N CYS A 915 -6.871 -21.680 -11.807 1.00 39.05 N +ATOM 441 CA CYS A 915 -7.950 -22.649 -11.663 1.00 40.20 C +ATOM 442 C CYS A 915 -7.988 -23.052 -10.181 1.00 43.77 C +ATOM 443 O CYS A 915 -7.093 -23.769 -9.728 1.00 43.29 O +ATOM 444 CB CYS A 915 -7.745 -23.856 -12.604 1.00 41.99 C +ATOM 445 SG CYS A 915 -9.062 -25.098 -12.432 1.00 48.59 S +ATOM 446 H CYS A 915 -5.935 -22.054 -11.712 1.00 39.05 H +ATOM 447 HA CYS A 915 -8.905 -22.191 -11.927 1.00 40.20 H +ATOM 448 HB3 CYS A 915 -6.786 -24.339 -12.412 1.00 41.99 H +ATOM 449 HB2 CYS A 915 -7.727 -23.525 -13.642 1.00 41.99 H +ATOM 450 HG CYS A 915 -10.049 -24.342 -12.923 1.00 48.59 H +ATOM 451 N TYR A 916 -9.007 -22.565 -9.452 1.00 39.62 N +ATOM 452 CA TYR A 916 -9.266 -22.950 -8.066 1.00 39.96 C +ATOM 453 C TYR A 916 -9.955 -24.317 -8.054 1.00 45.20 C +ATOM 454 O TYR A 916 -11.103 -24.411 -8.485 1.00 45.42 O +ATOM 455 CB TYR A 916 -10.123 -21.883 -7.362 1.00 40.18 C +ATOM 456 CG TYR A 916 -10.338 -22.159 -5.882 1.00 41.11 C +ATOM 457 CD1 TYR A 916 -9.235 -22.141 -5.005 1.00 41.72 C +ATOM 458 CD2 TYR A 916 -11.625 -22.431 -5.372 1.00 43.06 C +ATOM 459 CE1 TYR A 916 -9.421 -22.339 -3.626 1.00 42.69 C +ATOM 460 CE2 TYR A 916 -11.807 -22.654 -3.991 1.00 44.62 C +ATOM 461 CZ TYR A 916 -10.704 -22.596 -3.116 1.00 47.56 C +ATOM 462 OH TYR A 916 -10.866 -22.784 -1.774 1.00 49.11 O +ATOM 463 H TYR A 916 -9.717 -21.999 -9.899 1.00 39.62 H +ATOM 464 HA TYR A 916 -8.313 -23.020 -7.541 1.00 39.96 H +ATOM 465 HB3 TYR A 916 -11.089 -21.777 -7.861 1.00 40.18 H +ATOM 466 HB2 TYR A 916 -9.641 -20.909 -7.450 1.00 40.18 H +ATOM 467 HD1 TYR A 916 -8.244 -21.965 -5.390 1.00 41.72 H +ATOM 468 HD2 TYR A 916 -12.478 -22.459 -6.035 1.00 43.06 H +ATOM 469 HE1 TYR A 916 -8.578 -22.297 -2.958 1.00 42.69 H +ATOM 470 HE2 TYR A 916 -12.797 -22.853 -3.609 1.00 44.62 H +ATOM 471 HH TYR A 916 -11.780 -22.931 -1.519 1.00 49.11 H +ATOM 472 N ASP A 917 -9.224 -25.343 -7.600 1.00 46.60 N +ATOM 473 CA ASP A 917 -9.548 -26.742 -7.857 1.00 48.33 C +ATOM 474 C ASP A 917 -9.310 -27.589 -6.586 1.00 54.57 C +ATOM 475 O ASP A 917 -8.280 -28.261 -6.507 1.00 54.85 O +ATOM 476 CB ASP A 917 -8.720 -27.202 -9.088 1.00 50.11 C +ATOM 477 CG ASP A 917 -8.948 -28.619 -9.626 1.00 62.07 C +ATOM 478 OD1 ASP A 917 -10.074 -29.144 -9.481 1.00 63.23 O +ATOM 479 OD2 ASP A 917 -8.018 -29.099 -10.308 1.00 69.60 O1- +ATOM 480 H ASP A 917 -8.291 -25.168 -7.248 1.00 46.60 H +ATOM 481 HA ASP A 917 -10.604 -26.840 -8.110 1.00 48.33 H +ATOM 482 HB3 ASP A 917 -7.660 -27.061 -8.876 1.00 50.11 H +ATOM 483 HB2 ASP A 917 -8.925 -26.518 -9.911 1.00 50.11 H +ATOM 484 N PRO A 918 -10.233 -27.531 -5.592 1.00 52.47 N +ATOM 485 CA PRO A 918 -10.097 -28.298 -4.337 1.00 54.47 C +ATOM 486 C PRO A 918 -10.108 -29.832 -4.468 1.00 61.35 C +ATOM 487 O PRO A 918 -9.390 -30.493 -3.718 1.00 62.40 O +ATOM 488 CB PRO A 918 -11.249 -27.795 -3.449 1.00 56.45 C +ATOM 489 CG PRO A 918 -11.619 -26.442 -4.028 1.00 58.90 C +ATOM 490 CD PRO A 918 -11.398 -26.646 -5.519 1.00 53.43 C +ATOM 491 HA PRO A 918 -9.154 -28.002 -3.890 1.00 54.47 H +ATOM 492 HB3 PRO A 918 -10.970 -27.730 -2.397 1.00 56.45 H +ATOM 493 HB2 PRO A 918 -12.112 -28.460 -3.518 1.00 56.45 H +ATOM 494 HG3 PRO A 918 -10.924 -25.686 -3.658 1.00 58.90 H +ATOM 495 HG2 PRO A 918 -12.631 -26.122 -3.778 1.00 58.90 H +ATOM 496 HD2 PRO A 918 -12.253 -27.150 -5.969 1.00 53.43 H +ATOM 497 HD3 PRO A 918 -11.278 -25.684 -6.008 1.00 53.43 H +ATOM 498 N THR A 919 -10.909 -30.361 -5.407 1.00 59.02 N +ATOM 499 CA THR A 919 -11.072 -31.799 -5.649 1.00 61.06 C +ATOM 500 C THR A 919 -9.985 -32.394 -6.578 1.00 66.39 C +ATOM 501 O THR A 919 -9.864 -33.618 -6.624 1.00 67.71 O +ATOM 502 CB THR A 919 -12.460 -32.093 -6.275 1.00 69.24 C +ATOM 503 OG1 THR A 919 -12.585 -31.469 -7.533 1.00 68.64 O +ATOM 504 CG2 THR A 919 -13.638 -31.637 -5.400 1.00 68.24 C +ATOM 505 H THR A 919 -11.466 -29.756 -5.994 1.00 59.02 H +ATOM 506 HA THR A 919 -11.011 -32.326 -4.695 1.00 61.06 H +ATOM 507 HB THR A 919 -12.561 -33.168 -6.437 1.00 69.24 H +ATOM 508 HG1 THR A 919 -13.251 -31.932 -8.052 1.00 68.64 H +ATOM 509 HG21 THR A 919 -14.591 -31.908 -5.855 1.00 68.24 H +ATOM 510 HG22 THR A 919 -13.598 -32.106 -4.417 1.00 68.24 H +ATOM 511 HG23 THR A 919 -13.640 -30.556 -5.253 1.00 68.24 H +ATOM 512 N ASN A 920 -9.199 -31.539 -7.261 1.00 62.42 N +ATOM 513 CA ASN A 920 -8.037 -31.885 -8.094 1.00 62.48 C +ATOM 514 C ASN A 920 -8.379 -32.616 -9.418 1.00 68.30 C +ATOM 515 O ASN A 920 -7.483 -33.225 -10.005 1.00 68.75 O +ATOM 516 CB ASN A 920 -6.961 -32.649 -7.260 1.00 64.50 C +ATOM 517 CG ASN A 920 -5.483 -32.372 -7.591 1.00 90.28 C +ATOM 518 OD1 ASN A 920 -4.611 -32.755 -6.815 1.00 80.74 O +ATOM 519 ND2 ASN A 920 -5.167 -31.729 -8.718 1.00 86.67 N +ATOM 520 H ASN A 920 -9.390 -30.550 -7.183 1.00 62.42 H +ATOM 521 HA ASN A 920 -7.608 -30.945 -8.433 1.00 62.48 H +ATOM 522 HB3 ASN A 920 -7.149 -33.724 -7.262 1.00 64.50 H +ATOM 523 HB2 ASN A 920 -7.058 -32.342 -6.217 1.00 64.50 H +ATOM 524 HD22 ASN A 920 -4.198 -31.571 -8.954 1.00 86.67 H +ATOM 525 HD21 ASN A 920 -5.888 -31.454 -9.372 1.00 86.67 H +ATOM 526 N ASP A 921 -9.638 -32.539 -9.885 1.00 65.11 N +ATOM 527 CA ASP A 921 -10.110 -33.196 -11.116 1.00 65.45 C +ATOM 528 C ASP A 921 -9.985 -32.313 -12.380 1.00 68.10 C +ATOM 529 O ASP A 921 -10.142 -32.837 -13.482 1.00 68.54 O +ATOM 530 CB ASP A 921 -11.542 -33.785 -10.972 1.00 68.72 C +ATOM 531 CG ASP A 921 -12.662 -32.858 -10.464 1.00 75.04 C +ATOM 532 OD1 ASP A 921 -12.517 -31.619 -10.549 1.00 72.94 O +ATOM 533 OD2 ASP A 921 -13.716 -33.411 -10.080 1.00 81.22 O1- +ATOM 534 H ASP A 921 -10.326 -31.995 -9.382 1.00 65.11 H +ATOM 535 HA ASP A 921 -9.464 -34.056 -11.306 1.00 65.45 H +ATOM 536 HB3 ASP A 921 -11.484 -34.629 -10.282 1.00 68.72 H +ATOM 537 HB2 ASP A 921 -11.865 -34.214 -11.922 1.00 68.72 H +ATOM 538 N GLY A 922 -9.711 -31.008 -12.210 1.00 62.38 N +ATOM 539 CA GLY A 922 -9.551 -30.041 -13.297 1.00 60.09 C +ATOM 540 C GLY A 922 -10.863 -29.330 -13.668 1.00 63.42 C +ATOM 541 O GLY A 922 -10.834 -28.480 -14.557 1.00 62.74 O +ATOM 542 H GLY A 922 -9.599 -30.648 -11.270 1.00 62.38 H +ATOM 543 HA3 GLY A 922 -9.136 -30.518 -14.186 1.00 60.09 H +ATOM 544 HA2 GLY A 922 -8.828 -29.287 -12.986 1.00 60.09 H +ATOM 545 N THR A 923 -11.995 -29.645 -13.011 1.00 59.47 N +ATOM 546 CA THR A 923 -13.310 -29.037 -13.264 1.00 58.79 C +ATOM 547 C THR A 923 -13.573 -27.766 -12.417 1.00 58.95 C +ATOM 548 O THR A 923 -14.667 -27.206 -12.506 1.00 58.00 O +ATOM 549 CB THR A 923 -14.472 -30.055 -13.053 1.00 71.45 C +ATOM 550 OG1 THR A 923 -14.846 -30.240 -11.699 1.00 74.26 O +ATOM 551 CG2 THR A 923 -14.234 -31.420 -13.720 1.00 71.82 C +ATOM 552 H THR A 923 -11.966 -30.341 -12.275 1.00 59.47 H +ATOM 553 HA THR A 923 -13.355 -28.722 -14.308 1.00 58.79 H +ATOM 554 HB THR A 923 -15.355 -29.634 -13.535 1.00 71.45 H +ATOM 555 HG1 THR A 923 -14.145 -30.727 -11.249 1.00 74.26 H +ATOM 556 HG21 THR A 923 -15.102 -32.069 -13.603 1.00 71.82 H +ATOM 557 HG22 THR A 923 -14.051 -31.305 -14.788 1.00 71.82 H +ATOM 558 HG23 THR A 923 -13.377 -31.943 -13.294 1.00 71.82 H +ATOM 559 N GLY A 924 -12.571 -27.323 -11.637 1.00 53.95 N +ATOM 560 CA GLY A 924 -12.623 -26.151 -10.763 1.00 52.08 C +ATOM 561 C GLY A 924 -12.788 -24.830 -11.535 1.00 53.45 C +ATOM 562 O GLY A 924 -12.426 -24.728 -12.708 1.00 52.18 O +ATOM 563 H GLY A 924 -11.706 -27.844 -11.632 1.00 53.95 H +ATOM 564 HA3 GLY A 924 -11.683 -26.125 -10.215 1.00 52.08 H +ATOM 565 HA2 GLY A 924 -13.425 -26.270 -10.033 1.00 52.08 H +ATOM 566 N GLU A 925 -13.324 -23.810 -10.844 1.00 49.00 N +ATOM 567 CA GLU A 925 -13.602 -22.474 -11.376 1.00 47.60 C +ATOM 568 C GLU A 925 -12.333 -21.684 -11.730 1.00 48.02 C +ATOM 569 O GLU A 925 -11.391 -21.647 -10.938 1.00 45.98 O +ATOM 570 CB GLU A 925 -14.441 -21.680 -10.347 1.00 49.51 C +ATOM 571 CG GLU A 925 -15.856 -22.247 -10.096 1.00 66.63 C +ATOM 572 CD GLU A 925 -16.796 -22.122 -11.304 1.00 94.52 C +ATOM 573 OE1 GLU A 925 -16.972 -20.979 -11.784 1.00 89.72 O +ATOM 574 OE2 GLU A 925 -17.331 -23.170 -11.725 1.00 93.17 O1- +ATOM 575 H GLU A 925 -13.590 -23.957 -9.880 1.00 49.00 H +ATOM 576 HA GLU A 925 -14.185 -22.600 -12.290 1.00 47.60 H +ATOM 577 HB3 GLU A 925 -14.507 -20.633 -10.646 1.00 49.51 H +ATOM 578 HB2 GLU A 925 -13.910 -21.669 -9.394 1.00 49.51 H +ATOM 579 HG3 GLU A 925 -16.312 -21.709 -9.264 1.00 66.63 H +ATOM 580 HG2 GLU A 925 -15.791 -23.287 -9.773 1.00 66.63 H +ATOM 581 N MET A 926 -12.376 -21.016 -12.893 1.00 43.85 N +ATOM 582 CA MET A 926 -11.372 -20.052 -13.336 1.00 42.46 C +ATOM 583 C MET A 926 -11.611 -18.704 -12.636 1.00 43.50 C +ATOM 584 O MET A 926 -12.731 -18.192 -12.664 1.00 43.72 O +ATOM 585 CB MET A 926 -11.429 -19.907 -14.871 1.00 44.66 C +ATOM 586 CG MET A 926 -11.085 -21.206 -15.622 1.00 50.18 C +ATOM 587 SD MET A 926 -11.210 -21.107 -17.430 1.00 55.18 S +ATOM 588 CE MET A 926 -9.740 -20.126 -17.815 1.00 50.66 C +ATOM 589 H MET A 926 -13.209 -21.073 -13.464 1.00 43.85 H +ATOM 590 HA MET A 926 -10.384 -20.428 -13.070 1.00 42.46 H +ATOM 591 HB3 MET A 926 -10.737 -19.124 -15.180 1.00 44.66 H +ATOM 592 HB2 MET A 926 -12.419 -19.565 -15.178 1.00 44.66 H +ATOM 593 HG3 MET A 926 -11.755 -22.005 -15.304 1.00 50.18 H +ATOM 594 HG2 MET A 926 -10.078 -21.532 -15.362 1.00 50.18 H +ATOM 595 HE1 MET A 926 -9.634 -20.012 -18.894 1.00 50.66 H +ATOM 596 HE2 MET A 926 -9.824 -19.135 -17.376 1.00 50.66 H +ATOM 597 HE3 MET A 926 -8.844 -20.609 -17.427 1.00 50.66 H +ATOM 598 N VAL A 927 -10.551 -18.168 -12.017 1.00 36.95 N +ATOM 599 CA VAL A 927 -10.570 -16.927 -11.247 1.00 34.96 C +ATOM 600 C VAL A 927 -9.331 -16.077 -11.575 1.00 36.30 C +ATOM 601 O VAL A 927 -8.232 -16.612 -11.722 1.00 35.86 O +ATOM 602 CB VAL A 927 -10.610 -17.194 -9.711 1.00 39.31 C +ATOM 603 CG1 VAL A 927 -11.992 -17.683 -9.251 1.00 40.52 C +ATOM 604 CG2 VAL A 927 -9.507 -18.134 -9.180 1.00 39.38 C +ATOM 605 H VAL A 927 -9.662 -18.654 -12.039 1.00 36.95 H +ATOM 606 HA VAL A 927 -11.448 -16.339 -11.522 1.00 34.96 H +ATOM 607 HB VAL A 927 -10.456 -16.236 -9.212 1.00 39.31 H +ATOM 608 HG11 VAL A 927 -12.038 -17.771 -8.165 1.00 40.52 H +ATOM 609 HG12 VAL A 927 -12.769 -16.982 -9.554 1.00 40.52 H +ATOM 610 HG13 VAL A 927 -12.235 -18.658 -9.674 1.00 40.52 H +ATOM 611 HG21 VAL A 927 -9.586 -18.255 -8.099 1.00 39.38 H +ATOM 612 HG22 VAL A 927 -9.578 -19.128 -9.623 1.00 39.38 H +ATOM 613 HG23 VAL A 927 -8.510 -17.750 -9.382 1.00 39.38 H +ATOM 614 N ALA A 928 -9.546 -14.756 -11.667 1.00 33.12 N +ATOM 615 CA ALA A 928 -8.506 -13.752 -11.857 1.00 33.29 C +ATOM 616 C ALA A 928 -8.086 -13.216 -10.483 1.00 37.02 C +ATOM 617 O ALA A 928 -8.817 -12.428 -9.884 1.00 37.68 O +ATOM 618 CB ALA A 928 -9.054 -12.636 -12.757 1.00 33.26 C +ATOM 619 H ALA A 928 -10.476 -14.395 -11.503 1.00 33.12 H +ATOM 620 HA ALA A 928 -7.640 -14.190 -12.357 1.00 33.29 H +ATOM 621 HB1 ALA A 928 -8.316 -11.845 -12.901 1.00 33.26 H +ATOM 622 HB2 ALA A 928 -9.308 -13.028 -13.742 1.00 33.26 H +ATOM 623 HB3 ALA A 928 -9.953 -12.181 -12.339 1.00 33.26 H +ATOM 624 N VAL A 929 -6.929 -13.685 -9.998 1.00 32.01 N +ATOM 625 CA VAL A 929 -6.385 -13.331 -8.692 1.00 31.43 C +ATOM 626 C VAL A 929 -5.339 -12.221 -8.875 1.00 34.06 C +ATOM 627 O VAL A 929 -4.322 -12.445 -9.535 1.00 33.04 O +ATOM 628 CB VAL A 929 -5.698 -14.547 -8.012 1.00 35.67 C +ATOM 629 CG1 VAL A 929 -5.130 -14.225 -6.617 1.00 35.66 C +ATOM 630 CG2 VAL A 929 -6.643 -15.756 -7.910 1.00 35.86 C +ATOM 631 H VAL A 929 -6.365 -14.309 -10.561 1.00 32.01 H +ATOM 632 HA VAL A 929 -7.179 -12.977 -8.034 1.00 31.43 H +ATOM 633 HB VAL A 929 -4.857 -14.854 -8.629 1.00 35.67 H +ATOM 634 HG11 VAL A 929 -4.714 -15.115 -6.143 1.00 35.66 H +ATOM 635 HG12 VAL A 929 -4.328 -13.487 -6.657 1.00 35.66 H +ATOM 636 HG13 VAL A 929 -5.914 -13.838 -5.965 1.00 35.66 H +ATOM 637 HG21 VAL A 929 -6.160 -16.590 -7.401 1.00 35.86 H +ATOM 638 HG22 VAL A 929 -7.545 -15.504 -7.357 1.00 35.86 H +ATOM 639 HG23 VAL A 929 -6.942 -16.112 -8.895 1.00 35.86 H +ATOM 640 N LYS A 930 -5.610 -11.055 -8.273 1.00 30.97 N +ATOM 641 CA LYS A 930 -4.688 -9.925 -8.224 1.00 30.96 C +ATOM 642 C LYS A 930 -3.874 -9.976 -6.925 1.00 37.68 C +ATOM 643 O LYS A 930 -4.421 -10.310 -5.875 1.00 36.55 O +ATOM 644 CB LYS A 930 -5.482 -8.618 -8.397 1.00 33.16 C +ATOM 645 CG LYS A 930 -4.599 -7.367 -8.542 1.00 48.15 C +ATOM 646 CD LYS A 930 -5.416 -6.121 -8.900 1.00 51.77 C +ATOM 647 CE LYS A 930 -4.523 -4.890 -9.108 1.00 60.76 C +ATOM 648 NZ LYS A 930 -5.318 -3.714 -9.493 1.00 63.79 N1+ +ATOM 649 H LYS A 930 -6.465 -10.954 -7.740 1.00 30.97 H +ATOM 650 HA LYS A 930 -3.992 -9.993 -9.053 1.00 30.96 H +ATOM 651 HB3 LYS A 930 -6.191 -8.486 -7.580 1.00 33.16 H +ATOM 652 HB2 LYS A 930 -6.087 -8.710 -9.299 1.00 33.16 H +ATOM 653 HG3 LYS A 930 -3.847 -7.538 -9.312 1.00 48.15 H +ATOM 654 HG2 LYS A 930 -4.040 -7.183 -7.626 1.00 48.15 H +ATOM 655 HD3 LYS A 930 -6.143 -5.928 -8.109 1.00 51.77 H +ATOM 656 HD2 LYS A 930 -5.995 -6.317 -9.804 1.00 51.77 H +ATOM 657 HE3 LYS A 930 -3.789 -5.088 -9.888 1.00 60.76 H +ATOM 658 HE2 LYS A 930 -3.969 -4.658 -8.199 1.00 60.76 H +ATOM 659 HZ1 LYS A 930 -5.988 -3.511 -8.759 1.00 63.79 H +ATOM 660 HZ2 LYS A 930 -4.721 -2.911 -9.618 1.00 63.79 H +ATOM 661 HZ3 LYS A 930 -5.818 -3.896 -10.350 1.00 63.79 H +ATOM 662 N ALA A 931 -2.580 -9.642 -7.031 1.00 37.96 N +ATOM 663 CA ALA A 931 -1.623 -9.687 -5.933 1.00 40.37 C +ATOM 664 C ALA A 931 -0.830 -8.379 -5.859 1.00 49.88 C +ATOM 665 O ALA A 931 -0.449 -7.826 -6.890 1.00 48.28 O +ATOM 666 CB ALA A 931 -0.678 -10.880 -6.150 1.00 41.64 C +ATOM 667 H ALA A 931 -2.209 -9.351 -7.928 1.00 37.96 H +ATOM 668 HA ALA A 931 -2.145 -9.825 -4.984 1.00 40.37 H +ATOM 669 HB1 ALA A 931 0.015 -10.988 -5.314 1.00 41.64 H +ATOM 670 HB2 ALA A 931 -1.235 -11.814 -6.232 1.00 41.64 H +ATOM 671 HB3 ALA A 931 -0.088 -10.766 -7.060 1.00 41.64 H +ATOM 672 N LEU A 932 -0.559 -7.956 -4.618 1.00 51.32 N +ATOM 673 CA LEU A 932 0.354 -6.877 -4.255 1.00 53.72 C +ATOM 674 C LEU A 932 1.768 -7.462 -4.129 1.00 62.30 C +ATOM 675 O LEU A 932 1.938 -8.492 -3.473 1.00 63.20 O +ATOM 676 CB LEU A 932 -0.203 -6.237 -2.959 1.00 54.88 C +ATOM 677 CG LEU A 932 0.643 -5.234 -2.140 1.00 61.02 C +ATOM 678 CD1 LEU A 932 1.578 -5.910 -1.118 1.00 63.21 C +ATOM 679 CD2 LEU A 932 1.333 -4.164 -3.002 1.00 63.43 C +ATOM 680 H LEU A 932 -0.898 -8.507 -3.839 1.00 51.32 H +ATOM 681 HA LEU A 932 0.353 -6.121 -5.044 1.00 53.72 H +ATOM 682 HB3 LEU A 932 -0.550 -7.017 -2.280 1.00 54.88 H +ATOM 683 HB2 LEU A 932 -1.098 -5.708 -3.275 1.00 54.88 H +ATOM 684 HG LEU A 932 -0.082 -4.685 -1.537 1.00 61.02 H +ATOM 685 HD11 LEU A 932 2.578 -5.486 -1.128 1.00 63.21 H +ATOM 686 HD12 LEU A 932 1.192 -5.785 -0.107 1.00 63.21 H +ATOM 687 HD13 LEU A 932 1.671 -6.983 -1.281 1.00 63.21 H +ATOM 688 HD21 LEU A 932 1.351 -3.201 -2.490 1.00 63.43 H +ATOM 689 HD22 LEU A 932 2.361 -4.440 -3.233 1.00 63.43 H +ATOM 690 HD23 LEU A 932 0.815 -4.017 -3.948 1.00 63.43 H +ATOM 691 N LYS A 933 2.746 -6.805 -4.775 1.00 61.35 N +ATOM 692 CA LYS A 933 4.151 -7.223 -4.806 1.00 63.52 C +ATOM 693 C LYS A 933 4.791 -7.220 -3.401 1.00 70.14 C +ATOM 694 O LYS A 933 4.505 -6.330 -2.602 1.00 70.50 O +ATOM 695 CB LYS A 933 4.920 -6.342 -5.819 1.00 66.45 C +ATOM 696 CG LYS A 933 5.118 -4.872 -5.401 1.00 83.56 C +ATOM 697 CD LYS A 933 5.932 -4.051 -6.408 1.00 96.14 C +ATOM 698 CE LYS A 933 6.299 -2.668 -5.844 1.00107.75 C +ATOM 699 NZ LYS A 933 7.319 -1.991 -6.663 1.00116.59 N1+ +ATOM 700 H LYS A 933 2.523 -5.965 -5.289 1.00 61.35 H +ATOM 701 HA LYS A 933 4.168 -8.249 -5.180 1.00 63.52 H +ATOM 702 HB3 LYS A 933 4.426 -6.386 -6.790 1.00 66.45 H +ATOM 703 HB2 LYS A 933 5.906 -6.784 -5.971 1.00 66.45 H +ATOM 704 HG3 LYS A 933 5.647 -4.840 -4.451 1.00 83.56 H +ATOM 705 HG2 LYS A 933 4.149 -4.396 -5.240 1.00 83.56 H +ATOM 706 HD3 LYS A 933 5.354 -3.933 -7.326 1.00 96.14 H +ATOM 707 HD2 LYS A 933 6.830 -4.606 -6.684 1.00 96.14 H +ATOM 708 HE3 LYS A 933 6.712 -2.771 -4.840 1.00107.75 H +ATOM 709 HE2 LYS A 933 5.413 -2.038 -5.765 1.00107.75 H +ATOM 710 HZ1 LYS A 933 8.154 -2.563 -6.671 1.00116.59 H +ATOM 711 HZ2 LYS A 933 6.989 -1.866 -7.610 1.00116.59 H +ATOM 712 HZ3 LYS A 933 7.539 -1.092 -6.261 1.00116.59 H +ATOM 713 N ALA A 934 5.650 -8.217 -3.131 1.00 68.33 N +ATOM 714 CA ALA A 934 6.298 -8.425 -1.831 1.00 69.84 C +ATOM 715 C ALA A 934 7.265 -7.306 -1.401 1.00 75.29 C +ATOM 716 O ALA A 934 7.435 -7.096 -0.201 1.00 75.68 O +ATOM 717 CB ALA A 934 7.019 -9.781 -1.846 1.00 71.23 C +ATOM 718 H ALA A 934 5.847 -8.909 -3.840 1.00 68.33 H +ATOM 719 HA ALA A 934 5.511 -8.468 -1.076 1.00 69.84 H +ATOM 720 HB1 ALA A 934 7.460 -10.006 -0.874 1.00 71.23 H +ATOM 721 HB2 ALA A 934 6.330 -10.591 -2.085 1.00 71.23 H +ATOM 722 HB3 ALA A 934 7.820 -9.799 -2.587 1.00 71.23 H +ATOM 723 N ASP A 935 7.863 -6.609 -2.380 1.00 72.17 N +ATOM 724 CA ASP A 935 8.836 -5.527 -2.197 1.00 73.50 C +ATOM 725 C ASP A 935 8.185 -4.144 -1.962 1.00 75.83 C +ATOM 726 O ASP A 935 8.922 -3.179 -1.754 1.00 76.32 O +ATOM 727 CB ASP A 935 9.864 -5.475 -3.361 1.00 76.23 C +ATOM 728 CG ASP A 935 9.276 -5.328 -4.776 1.00 89.05 C +ATOM 729 OD1 ASP A 935 8.665 -6.306 -5.264 1.00 88.80 O +ATOM 730 OD2 ASP A 935 9.356 -4.200 -5.311 1.00 97.21 O1- +ATOM 731 H ASP A 935 7.672 -6.851 -3.344 1.00 72.17 H +ATOM 732 HA ASP A 935 9.406 -5.746 -1.292 1.00 73.50 H +ATOM 733 HB3 ASP A 935 10.432 -6.406 -3.352 1.00 76.23 H +ATOM 734 HB2 ASP A 935 10.609 -4.697 -3.179 1.00 76.23 H +ATOM 735 N ALA A 936 6.842 -4.054 -1.996 1.00 70.25 N +ATOM 736 CA ALA A 936 6.074 -2.822 -1.798 1.00 69.55 C +ATOM 737 C ALA A 936 6.250 -2.196 -0.405 1.00 73.05 C +ATOM 738 O ALA A 936 6.327 -2.920 0.589 1.00 73.05 O +ATOM 739 CB ALA A 936 4.591 -3.122 -2.034 1.00 68.72 C +ATOM 740 H ALA A 936 6.301 -4.891 -2.162 1.00 70.25 H +ATOM 741 HA ALA A 936 6.404 -2.099 -2.546 1.00 69.55 H +ATOM 742 HB1 ALA A 936 3.968 -2.252 -1.839 1.00 68.72 H +ATOM 743 HB2 ALA A 936 4.413 -3.419 -3.064 1.00 68.72 H +ATOM 744 HB3 ALA A 936 4.241 -3.921 -1.381 1.00 68.72 H +ATOM 745 N GLY A 937 6.263 -0.854 -0.374 1.00 68.94 N +ATOM 746 CA GLY A 937 6.335 -0.057 0.850 1.00 69.45 C +ATOM 747 C GLY A 937 4.933 0.143 1.460 1.00 71.44 C +ATOM 748 O GLY A 937 3.934 -0.265 0.865 1.00 69.33 O +ATOM 749 H GLY A 937 6.175 -0.344 -1.241 1.00 68.94 H +ATOM 750 HA3 GLY A 937 6.771 0.911 0.607 1.00 69.45 H +ATOM 751 HA2 GLY A 937 6.996 -0.534 1.576 1.00 69.45 H +ATOM 752 N PRO A 938 4.847 0.779 2.651 1.00 68.74 N +ATOM 753 CA PRO A 938 3.589 0.933 3.409 1.00 68.21 C +ATOM 754 C PRO A 938 2.501 1.788 2.729 1.00 71.10 C +ATOM 755 O PRO A 938 1.321 1.556 2.990 1.00 70.04 O +ATOM 756 CB PRO A 938 4.043 1.532 4.751 1.00 71.88 C +ATOM 757 CG PRO A 938 5.339 2.259 4.429 1.00 77.34 C +ATOM 758 CD PRO A 938 5.977 1.366 3.372 1.00 72.04 C +ATOM 759 HA PRO A 938 3.163 -0.053 3.593 1.00 68.21 H +ATOM 760 HB3 PRO A 938 4.244 0.723 5.455 1.00 71.88 H +ATOM 761 HB2 PRO A 938 3.305 2.188 5.216 1.00 71.88 H +ATOM 762 HG3 PRO A 938 5.975 2.421 5.300 1.00 77.34 H +ATOM 763 HG2 PRO A 938 5.111 3.233 3.994 1.00 77.34 H +ATOM 764 HD2 PRO A 938 6.648 1.939 2.732 1.00 72.04 H +ATOM 765 HD3 PRO A 938 6.549 0.565 3.842 1.00 72.04 H +ATOM 766 N GLN A 939 2.905 2.724 1.853 1.00 67.61 N +ATOM 767 CA GLN A 939 2.021 3.560 1.038 1.00 66.36 C +ATOM 768 C GLN A 939 1.200 2.757 0.008 1.00 68.88 C +ATOM 769 O GLN A 939 0.018 3.051 -0.168 1.00 67.37 O +ATOM 770 CB GLN A 939 2.817 4.723 0.389 1.00 68.30 C +ATOM 771 CG GLN A 939 3.855 4.379 -0.712 1.00 77.62 C +ATOM 772 CD GLN A 939 5.122 3.666 -0.222 1.00 79.26 C +ATOM 773 OE1 GLN A 939 5.529 3.809 0.929 1.00 70.91 O +ATOM 774 NE2 GLN A 939 5.769 2.907 -1.106 1.00 67.19 N +ATOM 775 H GLN A 939 3.896 2.872 1.712 1.00 67.61 H +ATOM 776 HA GLN A 939 1.304 4.015 1.725 1.00 66.36 H +ATOM 777 HB3 GLN A 939 3.296 5.311 1.174 1.00 68.30 H +ATOM 778 HB2 GLN A 939 2.092 5.403 -0.059 1.00 68.30 H +ATOM 779 HG3 GLN A 939 4.183 5.309 -1.175 1.00 77.62 H +ATOM 780 HG2 GLN A 939 3.393 3.803 -1.513 1.00 77.62 H +ATOM 781 HE22 GLN A 939 6.630 2.450 -0.845 1.00 67.19 H +ATOM 782 HE21 GLN A 939 5.407 2.784 -2.042 1.00 67.19 H +ATOM 783 N HIS A 940 1.825 1.743 -0.617 1.00 64.95 N +ATOM 784 CA HIS A 940 1.173 0.836 -1.562 1.00 63.06 C +ATOM 785 C HIS A 940 0.336 -0.247 -0.865 1.00 62.55 C +ATOM 786 O HIS A 940 -0.666 -0.669 -1.435 1.00 60.85 O +ATOM 787 CB HIS A 940 2.221 0.189 -2.485 1.00 64.66 C +ATOM 788 CG HIS A 940 2.915 1.133 -3.435 1.00 69.42 C +ATOM 789 ND1 HIS A 940 4.296 1.361 -3.394 1.00 71.01 N +ATOM 790 CD2 HIS A 940 2.373 1.877 -4.463 1.00 73.12 C +ATOM 791 CE1 HIS A 940 4.528 2.217 -4.381 1.00 71.34 C +ATOM 792 NE2 HIS A 940 3.425 2.560 -5.046 1.00 72.94 N +ATOM 793 H HIS A 940 2.793 1.547 -0.404 1.00 64.95 H +ATOM 794 HA HIS A 940 0.488 1.415 -2.185 1.00 63.06 H +ATOM 795 HB3 HIS A 940 1.764 -0.598 -3.086 1.00 64.66 H +ATOM 796 HB2 HIS A 940 2.982 -0.293 -1.874 1.00 64.66 H +ATOM 797 HD2 HIS A 940 1.359 1.973 -4.821 1.00 73.12 H +ATOM 798 HE1 HIS A 940 5.511 2.597 -4.622 1.00 71.34 H +ATOM 799 HE2 HIS A 940 3.370 3.192 -5.834 1.00 72.94 H +ATOM 800 N ARG A 941 0.746 -0.666 0.344 1.00 57.11 N +ATOM 801 CA ARG A 941 0.052 -1.670 1.157 1.00 55.94 C +ATOM 802 C ARG A 941 -1.244 -1.135 1.786 1.00 58.15 C +ATOM 803 O ARG A 941 -2.224 -1.878 1.834 1.00 56.90 O +ATOM 804 CB ARG A 941 1.002 -2.196 2.248 1.00 56.27 C +ATOM 805 CG ARG A 941 2.156 -3.035 1.684 1.00 60.46 C +ATOM 806 CD ARG A 941 3.217 -3.361 2.743 1.00 68.18 C +ATOM 807 NE ARG A 941 4.165 -4.372 2.252 1.00 73.45 N +ATOM 808 CZ ARG A 941 4.018 -5.707 2.308 1.00 81.37 C +ATOM 809 NH1 ARG A 941 2.961 -6.288 2.896 1.00 62.04 N +ATOM 810 NH2 ARG A 941 4.956 -6.483 1.753 1.00 66.65 N1+ +ATOM 811 H ARG A 941 1.591 -0.278 0.739 1.00 57.11 H +ATOM 812 HA ARG A 941 -0.219 -2.508 0.511 1.00 55.94 H +ATOM 813 HB3 ARG A 941 0.446 -2.825 2.943 1.00 56.27 H +ATOM 814 HB2 ARG A 941 1.388 -1.363 2.836 1.00 56.27 H +ATOM 815 HG3 ARG A 941 2.640 -2.439 0.911 1.00 60.46 H +ATOM 816 HG2 ARG A 941 1.797 -3.928 1.174 1.00 60.46 H +ATOM 817 HD3 ARG A 941 2.794 -3.586 3.722 1.00 68.18 H +ATOM 818 HD2 ARG A 941 3.836 -2.474 2.881 1.00 68.18 H +ATOM 819 HE ARG A 941 4.974 -4.003 1.765 1.00 73.45 H +ATOM 820 HH12 ARG A 941 2.887 -7.298 2.921 1.00 62.04 H +ATOM 821 HH11 ARG A 941 2.246 -5.725 3.329 1.00 62.04 H +ATOM 822 HH22 ARG A 941 4.856 -7.489 1.785 1.00 66.65 H +ATOM 823 HH21 ARG A 941 5.763 -6.083 1.293 1.00 66.65 H +ATOM 824 N SER A 942 -1.239 0.131 2.236 1.00 54.55 N +ATOM 825 CA SER A 942 -2.417 0.822 2.767 1.00 53.96 C +ATOM 826 C SER A 942 -3.462 1.145 1.681 1.00 53.99 C +ATOM 827 O SER A 942 -4.658 1.084 1.968 1.00 53.04 O +ATOM 828 CB SER A 942 -1.974 2.067 3.564 1.00 59.58 C +ATOM 829 OG SER A 942 -1.436 3.085 2.742 1.00 72.10 O +ATOM 830 H SER A 942 -0.386 0.673 2.189 1.00 54.55 H +ATOM 831 HA SER A 942 -2.895 0.143 3.476 1.00 53.96 H +ATOM 832 HB3 SER A 942 -1.237 1.795 4.320 1.00 59.58 H +ATOM 833 HB2 SER A 942 -2.827 2.484 4.101 1.00 59.58 H +ATOM 834 HG SER A 942 -0.537 2.843 2.506 1.00 72.10 H +ATOM 835 N GLY A 943 -2.996 1.435 0.454 1.00 48.43 N +ATOM 836 CA GLY A 943 -3.852 1.679 -0.702 1.00 46.49 C +ATOM 837 C GLY A 943 -4.391 0.364 -1.290 1.00 48.75 C +ATOM 838 O GLY A 943 -5.500 0.360 -1.821 1.00 47.89 O +ATOM 839 H GLY A 943 -1.998 1.478 0.302 1.00 48.43 H +ATOM 840 HA3 GLY A 943 -3.269 2.198 -1.462 1.00 46.49 H +ATOM 841 HA2 GLY A 943 -4.681 2.335 -0.430 1.00 46.49 H +ATOM 842 N TRP A 944 -3.627 -0.738 -1.184 1.00 44.46 N +ATOM 843 CA TRP A 944 -4.021 -2.081 -1.615 1.00 42.89 C +ATOM 844 C TRP A 944 -5.169 -2.670 -0.781 1.00 46.22 C +ATOM 845 O TRP A 944 -6.091 -3.245 -1.358 1.00 45.15 O +ATOM 846 CB TRP A 944 -2.793 -3.010 -1.631 1.00 42.12 C +ATOM 847 CG TRP A 944 -3.080 -4.467 -1.824 1.00 42.65 C +ATOM 848 CD1 TRP A 944 -2.885 -5.439 -0.904 1.00 46.33 C +ATOM 849 CD2 TRP A 944 -3.681 -5.119 -2.981 1.00 41.21 C +ATOM 850 NE1 TRP A 944 -3.284 -6.649 -1.429 1.00 45.34 N +ATOM 851 CE2 TRP A 944 -3.782 -6.515 -2.707 1.00 45.67 C +ATOM 852 CE3 TRP A 944 -4.149 -4.674 -4.238 1.00 41.70 C +ATOM 853 CZ2 TRP A 944 -4.298 -7.428 -3.640 1.00 44.10 C +ATOM 854 CZ3 TRP A 944 -4.676 -5.579 -5.179 1.00 42.27 C +ATOM 855 CH2 TRP A 944 -4.740 -6.953 -4.884 1.00 43.10 C +ATOM 856 H TRP A 944 -2.705 -0.662 -0.777 1.00 44.46 H +ATOM 857 HA TRP A 944 -4.393 -2.009 -2.639 1.00 42.89 H +ATOM 858 HB3 TRP A 944 -2.239 -2.906 -0.699 1.00 42.12 H +ATOM 859 HB2 TRP A 944 -2.112 -2.699 -2.425 1.00 42.12 H +ATOM 860 HD1 TRP A 944 -2.471 -5.278 0.081 1.00 46.33 H +ATOM 861 HE1 TRP A 944 -3.228 -7.524 -0.922 1.00 45.34 H +ATOM 862 HE3 TRP A 944 -4.103 -3.624 -4.481 1.00 41.70 H +ATOM 863 HZ2 TRP A 944 -4.352 -8.480 -3.407 1.00 44.10 H +ATOM 864 HZ3 TRP A 944 -5.029 -5.218 -6.131 1.00 42.27 H +ATOM 865 HH2 TRP A 944 -5.129 -7.641 -5.615 1.00 43.10 H +ATOM 866 N LYS A 945 -5.105 -2.485 0.550 1.00 43.92 N +ATOM 867 CA LYS A 945 -6.191 -2.822 1.471 1.00 44.34 C +ATOM 868 C LYS A 945 -7.476 -2.042 1.160 1.00 46.56 C +ATOM 869 O LYS A 945 -8.554 -2.623 1.243 1.00 45.36 O +ATOM 870 CB LYS A 945 -5.751 -2.571 2.926 1.00 49.05 C +ATOM 871 CG LYS A 945 -4.726 -3.589 3.445 1.00 67.10 C +ATOM 872 CD LYS A 945 -4.305 -3.287 4.894 1.00 82.17 C +ATOM 873 CE LYS A 945 -3.208 -4.218 5.438 1.00 95.75 C +ATOM 874 NZ LYS A 945 -1.895 -3.952 4.822 1.00106.63 N1+ +ATOM 875 H LYS A 945 -4.304 -2.017 0.951 1.00 43.92 H +ATOM 876 HA LYS A 945 -6.411 -3.885 1.350 1.00 44.34 H +ATOM 877 HB3 LYS A 945 -6.625 -2.624 3.579 1.00 49.05 H +ATOM 878 HB2 LYS A 945 -5.361 -1.556 3.025 1.00 49.05 H +ATOM 879 HG3 LYS A 945 -3.858 -3.605 2.789 1.00 67.10 H +ATOM 880 HG2 LYS A 945 -5.156 -4.590 3.397 1.00 67.10 H +ATOM 881 HD3 LYS A 945 -5.182 -3.377 5.537 1.00 82.17 H +ATOM 882 HD2 LYS A 945 -3.988 -2.245 4.978 1.00 82.17 H +ATOM 883 HE3 LYS A 945 -3.481 -5.262 5.281 1.00 95.75 H +ATOM 884 HE2 LYS A 945 -3.108 -4.074 6.514 1.00 95.75 H +ATOM 885 HZ1 LYS A 945 -1.958 -4.096 3.824 1.00106.63 H +ATOM 886 HZ2 LYS A 945 -1.626 -2.996 5.006 1.00106.63 H +ATOM 887 HZ3 LYS A 945 -1.206 -4.578 5.214 1.00106.63 H +ATOM 888 N GLN A 946 -7.327 -0.768 0.757 1.00 43.11 N +ATOM 889 CA GLN A 946 -8.435 0.101 0.379 1.00 42.59 C +ATOM 890 C GLN A 946 -9.104 -0.329 -0.944 1.00 44.21 C +ATOM 891 O GLN A 946 -10.323 -0.212 -1.029 1.00 44.62 O +ATOM 892 CB GLN A 946 -7.949 1.562 0.342 1.00 44.07 C +ATOM 893 CG GLN A 946 -9.112 2.570 0.435 1.00 72.22 C +ATOM 894 CD GLN A 946 -8.722 4.039 0.262 1.00 92.80 C +ATOM 895 OE1 GLN A 946 -9.605 4.886 0.154 1.00 86.97 O +ATOM 896 NE2 GLN A 946 -7.426 4.364 0.235 1.00 85.94 N +ATOM 897 H GLN A 946 -6.402 -0.366 0.700 1.00 43.11 H +ATOM 898 HA GLN A 946 -9.185 0.018 1.169 1.00 42.59 H +ATOM 899 HB3 GLN A 946 -7.370 1.733 -0.566 1.00 44.07 H +ATOM 900 HB2 GLN A 946 -7.272 1.737 1.180 1.00 44.07 H +ATOM 901 HG3 GLN A 946 -9.613 2.463 1.399 1.00 72.22 H +ATOM 902 HG2 GLN A 946 -9.861 2.347 -0.322 1.00 72.22 H +ATOM 903 HE22 GLN A 946 -7.136 5.321 0.106 1.00 85.94 H +ATOM 904 HE21 GLN A 946 -6.724 3.644 0.323 1.00 85.94 H +ATOM 905 N GLU A 947 -8.341 -0.874 -1.917 1.00 38.42 N +ATOM 906 CA GLU A 947 -8.896 -1.497 -3.128 1.00 36.42 C +ATOM 907 C GLU A 947 -9.773 -2.720 -2.812 1.00 41.24 C +ATOM 908 O GLU A 947 -10.865 -2.832 -3.369 1.00 41.44 O +ATOM 909 CB GLU A 947 -7.793 -1.835 -4.165 1.00 36.47 C +ATOM 910 CG GLU A 947 -8.321 -2.647 -5.383 1.00 37.83 C +ATOM 911 CD GLU A 947 -7.332 -2.963 -6.510 1.00 51.81 C +ATOM 912 OE1 GLU A 947 -6.118 -2.704 -6.360 1.00 50.51 O +ATOM 913 OE2 GLU A 947 -7.819 -3.483 -7.537 1.00 44.67 O1- +ATOM 914 H GLU A 947 -7.338 -0.927 -1.800 1.00 38.42 H +ATOM 915 HA GLU A 947 -9.549 -0.755 -3.593 1.00 36.42 H +ATOM 916 HB3 GLU A 947 -6.983 -2.382 -3.682 1.00 36.47 H +ATOM 917 HB2 GLU A 947 -7.355 -0.901 -4.515 1.00 36.47 H +ATOM 918 HG3 GLU A 947 -9.177 -2.127 -5.813 1.00 37.83 H +ATOM 919 HG2 GLU A 947 -8.692 -3.617 -5.051 1.00 37.83 H +ATOM 920 N ILE A 948 -9.272 -3.599 -1.926 1.00 37.07 N +ATOM 921 CA ILE A 948 -9.967 -4.801 -1.461 1.00 37.44 C +ATOM 922 C ILE A 948 -11.283 -4.464 -0.730 1.00 42.50 C +ATOM 923 O ILE A 948 -12.288 -5.117 -1.003 1.00 40.78 O +ATOM 924 CB ILE A 948 -9.054 -5.688 -0.558 1.00 40.85 C +ATOM 925 CG1 ILE A 948 -7.887 -6.291 -1.375 1.00 40.33 C +ATOM 926 CG2 ILE A 948 -9.796 -6.814 0.199 1.00 41.59 C +ATOM 927 CD1 ILE A 948 -6.671 -6.699 -0.527 1.00 45.34 C +ATOM 928 H ILE A 948 -8.358 -3.431 -1.528 1.00 37.07 H +ATOM 929 HA ILE A 948 -10.228 -5.382 -2.348 1.00 37.44 H +ATOM 930 HB ILE A 948 -8.610 -5.037 0.195 1.00 40.85 H +ATOM 931 HG13 ILE A 948 -7.538 -5.577 -2.122 1.00 40.33 H +ATOM 932 HG12 ILE A 948 -8.245 -7.151 -1.939 1.00 40.33 H +ATOM 933 HG21 ILE A 948 -9.110 -7.460 0.744 1.00 41.59 H +ATOM 934 HG22 ILE A 948 -10.494 -6.421 0.937 1.00 41.59 H +ATOM 935 HG23 ILE A 948 -10.361 -7.442 -0.491 1.00 41.59 H +ATOM 936 HD11 ILE A 948 -6.199 -7.594 -0.931 1.00 45.34 H +ATOM 937 HD12 ILE A 948 -5.924 -5.906 -0.520 1.00 45.34 H +ATOM 938 HD13 ILE A 948 -6.932 -6.902 0.510 1.00 45.34 H +ATOM 939 N ASP A 949 -11.260 -3.427 0.129 1.00 41.37 N +ATOM 940 CA ASP A 949 -12.433 -2.867 0.812 1.00 43.58 C +ATOM 941 C ASP A 949 -13.472 -2.293 -0.166 1.00 46.27 C +ATOM 942 O ASP A 949 -14.650 -2.611 -0.023 1.00 45.58 O +ATOM 943 CB ASP A 949 -12.082 -1.793 1.877 1.00 47.36 C +ATOM 944 CG ASP A 949 -11.137 -2.216 3.016 1.00 66.46 C +ATOM 945 OD1 ASP A 949 -11.033 -3.431 3.296 1.00 66.64 O +ATOM 946 OD2 ASP A 949 -10.616 -1.293 3.681 1.00 76.34 O1- +ATOM 947 H ASP A 949 -10.380 -2.965 0.319 1.00 41.37 H +ATOM 948 HA ASP A 949 -12.919 -3.699 1.326 1.00 43.58 H +ATOM 949 HB3 ASP A 949 -13.001 -1.432 2.342 1.00 47.36 H +ATOM 950 HB2 ASP A 949 -11.627 -0.936 1.377 1.00 47.36 H +ATOM 951 N ILE A 950 -13.021 -1.484 -1.143 1.00 42.07 N +ATOM 952 CA ILE A 950 -13.865 -0.856 -2.165 1.00 41.21 C +ATOM 953 C ILE A 950 -14.584 -1.879 -3.065 1.00 44.57 C +ATOM 954 O ILE A 950 -15.796 -1.776 -3.223 1.00 44.89 O +ATOM 955 CB ILE A 950 -13.074 0.179 -3.030 1.00 43.50 C +ATOM 956 CG1 ILE A 950 -12.772 1.447 -2.199 1.00 44.25 C +ATOM 957 CG2 ILE A 950 -13.743 0.588 -4.366 1.00 43.82 C +ATOM 958 CD1 ILE A 950 -11.740 2.389 -2.835 1.00 47.81 C +ATOM 959 H ILE A 950 -12.034 -1.263 -1.187 1.00 42.07 H +ATOM 960 HA ILE A 950 -14.646 -0.310 -1.630 1.00 41.21 H +ATOM 961 HB ILE A 950 -12.115 -0.277 -3.283 1.00 43.50 H +ATOM 962 HG13 ILE A 950 -12.436 1.183 -1.197 1.00 44.25 H +ATOM 963 HG12 ILE A 950 -13.700 1.993 -2.049 1.00 44.25 H +ATOM 964 HG21 ILE A 950 -13.176 1.363 -4.881 1.00 43.82 H +ATOM 965 HG22 ILE A 950 -13.808 -0.244 -5.066 1.00 43.82 H +ATOM 966 HG23 ILE A 950 -14.750 0.974 -4.203 1.00 43.82 H +ATOM 967 HD11 ILE A 950 -11.203 2.958 -2.077 1.00 47.81 H +ATOM 968 HD12 ILE A 950 -11.002 1.842 -3.421 1.00 47.81 H +ATOM 969 HD13 ILE A 950 -12.224 3.110 -3.494 1.00 47.81 H +ATOM 970 N LEU A 951 -13.844 -2.860 -3.609 1.00 41.27 N +ATOM 971 CA LEU A 951 -14.394 -3.889 -4.496 1.00 41.85 C +ATOM 972 C LEU A 951 -15.322 -4.889 -3.774 1.00 47.62 C +ATOM 973 O LEU A 951 -16.249 -5.398 -4.403 1.00 47.54 O +ATOM 974 CB LEU A 951 -13.231 -4.574 -5.249 1.00 41.42 C +ATOM 975 CG LEU A 951 -13.649 -5.508 -6.410 1.00 46.53 C +ATOM 976 CD1 LEU A 951 -14.414 -4.752 -7.521 1.00 46.18 C +ATOM 977 CD2 LEU A 951 -12.432 -6.278 -6.956 1.00 49.35 C +ATOM 978 H LEU A 951 -12.847 -2.896 -3.436 1.00 41.27 H +ATOM 979 HA LEU A 951 -15.012 -3.367 -5.227 1.00 41.85 H +ATOM 980 HB3 LEU A 951 -12.633 -5.137 -4.530 1.00 41.42 H +ATOM 981 HB2 LEU A 951 -12.564 -3.808 -5.649 1.00 41.42 H +ATOM 982 HG LEU A 951 -14.325 -6.266 -6.019 1.00 46.53 H +ATOM 983 HD11 LEU A 951 -14.019 -4.940 -8.518 1.00 46.18 H +ATOM 984 HD12 LEU A 951 -15.464 -5.047 -7.534 1.00 46.18 H +ATOM 985 HD13 LEU A 951 -14.385 -3.672 -7.381 1.00 46.18 H +ATOM 986 HD21 LEU A 951 -12.413 -6.333 -8.044 1.00 49.35 H +ATOM 987 HD22 LEU A 951 -11.496 -5.819 -6.643 1.00 49.35 H +ATOM 988 HD23 LEU A 951 -12.429 -7.303 -6.584 1.00 49.35 H +ATOM 989 N ARG A 952 -15.086 -5.118 -2.470 1.00 45.43 N +ATOM 990 CA ARG A 952 -15.912 -5.959 -1.601 1.00 47.25 C +ATOM 991 C ARG A 952 -17.298 -5.357 -1.286 1.00 52.09 C +ATOM 992 O ARG A 952 -18.247 -6.129 -1.145 1.00 53.68 O +ATOM 993 CB ARG A 952 -15.091 -6.318 -0.340 1.00 49.60 C +ATOM 994 CG ARG A 952 -15.843 -7.068 0.779 1.00 64.86 C +ATOM 995 CD ARG A 952 -14.937 -7.823 1.770 1.00 76.56 C +ATOM 996 NE ARG A 952 -13.881 -6.986 2.376 1.00 87.65 N +ATOM 997 CZ ARG A 952 -12.715 -7.407 2.908 1.00104.51 C +ATOM 998 NH1 ARG A 952 -12.352 -8.699 2.914 1.00 93.37 N +ATOM 999 NH2 ARG A 952 -11.884 -6.512 3.453 1.00 92.17 N1+ +ATOM 1000 H ARG A 952 -14.301 -4.663 -2.025 1.00 45.43 H +ATOM 1001 HA ARG A 952 -16.101 -6.892 -2.134 1.00 47.25 H +ATOM 1002 HB3 ARG A 952 -14.697 -5.398 0.092 1.00 49.60 H +ATOM 1003 HB2 ARG A 952 -14.226 -6.906 -0.649 1.00 49.60 H +ATOM 1004 HG3 ARG A 952 -16.421 -7.837 0.264 1.00 64.86 H +ATOM 1005 HG2 ARG A 952 -16.577 -6.448 1.297 1.00 64.86 H +ATOM 1006 HD3 ARG A 952 -14.592 -8.768 1.357 1.00 76.56 H +ATOM 1007 HD2 ARG A 952 -15.557 -8.089 2.626 1.00 76.56 H +ATOM 1008 HE ARG A 952 -14.078 -5.996 2.402 1.00 87.65 H +ATOM 1009 HH12 ARG A 952 -11.476 -8.988 3.325 1.00 93.37 H +ATOM 1010 HH11 ARG A 952 -12.951 -9.389 2.485 1.00 93.37 H +ATOM 1011 HH22 ARG A 952 -12.087 -5.519 3.426 1.00 92.17 H +ATOM 1012 HH21 ARG A 952 -11.009 -6.805 3.861 1.00 92.17 H +ATOM 1013 N THR A 953 -17.407 -4.018 -1.203 1.00 47.85 N +ATOM 1014 CA THR A 953 -18.679 -3.317 -0.978 1.00 48.24 C +ATOM 1015 C THR A 953 -19.466 -3.052 -2.282 1.00 50.96 C +ATOM 1016 O THR A 953 -20.681 -2.871 -2.196 1.00 52.21 O +ATOM 1017 CB THR A 953 -18.474 -1.955 -0.257 1.00 56.81 C +ATOM 1018 OG1 THR A 953 -17.729 -1.035 -1.034 1.00 60.06 O +ATOM 1019 CG2 THR A 953 -17.848 -2.087 1.139 1.00 56.45 C +ATOM 1020 H THR A 953 -16.592 -3.432 -1.323 1.00 47.85 H +ATOM 1021 HA THR A 953 -19.313 -3.933 -0.338 1.00 48.24 H +ATOM 1022 HB THR A 953 -19.453 -1.494 -0.115 1.00 56.81 H +ATOM 1023 HG1 THR A 953 -17.579 -0.237 -0.518 1.00 60.06 H +ATOM 1024 HG21 THR A 953 -17.701 -1.110 1.601 1.00 56.45 H +ATOM 1025 HG22 THR A 953 -18.495 -2.666 1.798 1.00 56.45 H +ATOM 1026 HG23 THR A 953 -16.885 -2.591 1.111 1.00 56.45 H +ATOM 1027 N LEU A 954 -18.797 -3.053 -3.450 1.00 45.03 N +ATOM 1028 CA LEU A 954 -19.441 -2.879 -4.754 1.00 43.59 C +ATOM 1029 C LEU A 954 -20.046 -4.200 -5.254 1.00 47.51 C +ATOM 1030 O LEU A 954 -19.407 -5.248 -5.151 1.00 46.90 O +ATOM 1031 CB LEU A 954 -18.416 -2.343 -5.779 1.00 41.91 C +ATOM 1032 CG LEU A 954 -17.939 -0.893 -5.544 1.00 44.98 C +ATOM 1033 CD1 LEU A 954 -16.672 -0.604 -6.360 1.00 43.77 C +ATOM 1034 CD2 LEU A 954 -19.026 0.163 -5.817 1.00 45.62 C +ATOM 1035 H LEU A 954 -17.798 -3.203 -3.455 1.00 45.03 H +ATOM 1036 HA LEU A 954 -20.251 -2.157 -4.649 1.00 43.59 H +ATOM 1037 HB3 LEU A 954 -18.832 -2.405 -6.787 1.00 41.91 H +ATOM 1038 HB2 LEU A 954 -17.551 -3.010 -5.778 1.00 41.91 H +ATOM 1039 HG LEU A 954 -17.680 -0.790 -4.492 1.00 44.98 H +ATOM 1040 HD11 LEU A 954 -16.372 0.440 -6.268 1.00 43.77 H +ATOM 1041 HD12 LEU A 954 -15.835 -1.211 -6.014 1.00 43.77 H +ATOM 1042 HD13 LEU A 954 -16.821 -0.822 -7.417 1.00 43.77 H +ATOM 1043 HD21 LEU A 954 -18.846 1.060 -5.227 1.00 45.62 H +ATOM 1044 HD22 LEU A 954 -19.047 0.454 -6.867 1.00 45.62 H +ATOM 1045 HD23 LEU A 954 -20.022 -0.184 -5.556 1.00 45.62 H +ATOM 1046 N TYR A 955 -21.260 -4.105 -5.819 1.00 44.63 N +ATOM 1047 CA TYR A 955 -21.983 -5.219 -6.422 1.00 45.07 C +ATOM 1048 C TYR A 955 -22.881 -4.667 -7.538 1.00 45.96 C +ATOM 1049 O TYR A 955 -23.879 -4.007 -7.245 1.00 46.41 O +ATOM 1050 CB TYR A 955 -22.766 -5.994 -5.338 1.00 49.65 C +ATOM 1051 CG TYR A 955 -23.413 -7.280 -5.825 1.00 54.91 C +ATOM 1052 CD1 TYR A 955 -22.690 -8.491 -5.774 1.00 57.41 C +ATOM 1053 CD2 TYR A 955 -24.729 -7.275 -6.334 1.00 57.57 C +ATOM 1054 CE1 TYR A 955 -23.279 -9.687 -6.228 1.00 59.75 C +ATOM 1055 CE2 TYR A 955 -25.314 -8.469 -6.797 1.00 60.10 C +ATOM 1056 CZ TYR A 955 -24.590 -9.676 -6.742 1.00 68.68 C +ATOM 1057 OH TYR A 955 -25.161 -10.833 -7.187 1.00 72.06 O +ATOM 1058 H TYR A 955 -21.733 -3.211 -5.844 1.00 44.63 H +ATOM 1059 HA TYR A 955 -21.264 -5.905 -6.873 1.00 45.07 H +ATOM 1060 HB3 TYR A 955 -23.529 -5.356 -4.888 1.00 49.65 H +ATOM 1061 HB2 TYR A 955 -22.091 -6.258 -4.522 1.00 49.65 H +ATOM 1062 HD1 TYR A 955 -21.681 -8.504 -5.389 1.00 57.41 H +ATOM 1063 HD2 TYR A 955 -25.291 -6.353 -6.378 1.00 57.57 H +ATOM 1064 HE1 TYR A 955 -22.717 -10.608 -6.181 1.00 59.75 H +ATOM 1065 HE2 TYR A 955 -26.320 -8.458 -7.190 1.00 60.10 H +ATOM 1066 HH TYR A 955 -24.592 -11.599 -7.087 1.00 72.06 H +ATOM 1067 N HIS A 956 -22.500 -4.944 -8.794 1.00 39.68 N +ATOM 1068 CA HIS A 956 -23.212 -4.512 -9.996 1.00 38.26 C +ATOM 1069 C HIS A 956 -22.866 -5.445 -11.162 1.00 41.07 C +ATOM 1070 O HIS A 956 -21.760 -5.986 -11.208 1.00 39.48 O +ATOM 1071 CB HIS A 956 -22.844 -3.047 -10.318 1.00 37.69 C +ATOM 1072 CG HIS A 956 -23.836 -2.324 -11.193 1.00 40.30 C +ATOM 1073 ND1 HIS A 956 -23.676 -2.210 -12.577 1.00 40.74 N +ATOM 1074 CD2 HIS A 956 -25.002 -1.686 -10.825 1.00 42.24 C +ATOM 1075 CE1 HIS A 956 -24.733 -1.519 -12.984 1.00 40.29 C +ATOM 1076 NE2 HIS A 956 -25.550 -1.179 -11.989 1.00 41.53 N +ATOM 1077 H HIS A 956 -21.665 -5.494 -8.953 1.00 39.68 H +ATOM 1078 HA HIS A 956 -24.284 -4.585 -9.796 1.00 38.26 H +ATOM 1079 HB3 HIS A 956 -21.857 -2.986 -10.778 1.00 37.69 H +ATOM 1080 HB2 HIS A 956 -22.772 -2.476 -9.395 1.00 37.69 H +ATOM 1081 HD2 HIS A 956 -25.467 -1.557 -9.859 1.00 42.24 H +ATOM 1082 HE1 HIS A 956 -24.909 -1.252 -14.014 1.00 40.29 H +ATOM 1083 HE2 HIS A 956 -26.411 -0.655 -12.072 1.00 41.53 H +ATOM 1084 N GLU A 957 -23.808 -5.580 -12.110 1.00 37.79 N +ATOM 1085 CA GLU A 957 -23.646 -6.366 -13.338 1.00 37.07 C +ATOM 1086 C GLU A 957 -22.581 -5.811 -14.309 1.00 38.36 C +ATOM 1087 O GLU A 957 -22.069 -6.584 -15.119 1.00 38.29 O +ATOM 1088 CB GLU A 957 -25.017 -6.521 -14.032 1.00 39.83 C +ATOM 1089 CG GLU A 957 -25.639 -5.202 -14.545 1.00 51.33 C +ATOM 1090 CD GLU A 957 -26.973 -5.377 -15.283 1.00 75.08 C +ATOM 1091 OE1 GLU A 957 -27.876 -4.551 -15.023 1.00 76.02 O +ATOM 1092 OE2 GLU A 957 -27.077 -6.311 -16.109 1.00 61.54 O1- +ATOM 1093 H GLU A 957 -24.697 -5.109 -11.999 1.00 37.79 H +ATOM 1094 HA GLU A 957 -23.315 -7.363 -13.038 1.00 37.07 H +ATOM 1095 HB3 GLU A 957 -25.713 -7.007 -13.347 1.00 39.83 H +ATOM 1096 HB2 GLU A 957 -24.898 -7.214 -14.866 1.00 39.83 H +ATOM 1097 HG3 GLU A 957 -24.955 -4.731 -15.244 1.00 51.33 H +ATOM 1098 HG2 GLU A 957 -25.753 -4.493 -13.725 1.00 51.33 H +ATOM 1099 N HIS A 958 -22.266 -4.507 -14.202 1.00 33.06 N +ATOM 1100 CA HIS A 958 -21.263 -3.805 -15.008 1.00 30.23 C +ATOM 1101 C HIS A 958 -20.045 -3.370 -14.175 1.00 34.52 C +ATOM 1102 O HIS A 958 -19.363 -2.415 -14.546 1.00 33.24 O +ATOM 1103 CB HIS A 958 -21.913 -2.635 -15.775 1.00 29.49 C +ATOM 1104 CG HIS A 958 -23.094 -3.030 -16.626 1.00 32.84 C +ATOM 1105 ND1 HIS A 958 -23.069 -4.116 -17.483 1.00 34.50 N +ATOM 1106 CD2 HIS A 958 -24.367 -2.515 -16.722 1.00 35.61 C +ATOM 1107 CE1 HIS A 958 -24.286 -4.227 -18.018 1.00 34.74 C +ATOM 1108 NE2 HIS A 958 -25.123 -3.285 -17.606 1.00 35.88 N +ATOM 1109 H HIS A 958 -22.751 -3.939 -13.519 1.00 33.06 H +ATOM 1110 HA HIS A 958 -20.862 -4.495 -15.749 1.00 30.23 H +ATOM 1111 HB3 HIS A 958 -21.178 -2.172 -16.435 1.00 29.49 H +ATOM 1112 HB2 HIS A 958 -22.237 -1.860 -15.079 1.00 29.49 H +ATOM 1113 HD1 HIS A 958 -22.273 -4.714 -17.661 1.00 34.50 H +ATOM 1114 HD2 HIS A 958 -24.807 -1.676 -16.210 1.00 35.61 H +ATOM 1115 HE1 HIS A 958 -24.562 -4.994 -18.726 1.00 34.74 H +ATOM 1116 N ILE A 959 -19.758 -4.122 -13.102 1.00 33.55 N +ATOM 1117 CA ILE A 959 -18.513 -4.085 -12.339 1.00 33.44 C +ATOM 1118 C ILE A 959 -18.048 -5.543 -12.152 1.00 38.25 C +ATOM 1119 O ILE A 959 -18.891 -6.426 -11.973 1.00 38.75 O +ATOM 1120 CB ILE A 959 -18.700 -3.369 -10.959 1.00 37.20 C +ATOM 1121 CG1 ILE A 959 -18.910 -1.848 -11.173 1.00 36.98 C +ATOM 1122 CG2 ILE A 959 -17.554 -3.612 -9.949 1.00 38.30 C +ATOM 1123 CD1 ILE A 959 -19.229 -1.049 -9.902 1.00 43.20 C +ATOM 1124 H ILE A 959 -20.381 -4.880 -12.858 1.00 33.55 H +ATOM 1125 HA ILE A 959 -17.747 -3.561 -12.911 1.00 33.44 H +ATOM 1126 HB ILE A 959 -19.610 -3.762 -10.502 1.00 37.20 H +ATOM 1127 HG13 ILE A 959 -19.722 -1.677 -11.879 1.00 36.98 H +ATOM 1128 HG12 ILE A 959 -18.021 -1.424 -11.638 1.00 36.98 H +ATOM 1129 HG21 ILE A 959 -17.680 -3.036 -9.034 1.00 38.30 H +ATOM 1130 HG22 ILE A 959 -17.504 -4.652 -9.633 1.00 38.30 H +ATOM 1131 HG23 ILE A 959 -16.590 -3.347 -10.379 1.00 38.30 H +ATOM 1132 HD11 ILE A 959 -19.719 -0.110 -10.158 1.00 43.20 H +ATOM 1133 HD12 ILE A 959 -19.889 -1.604 -9.235 1.00 43.20 H +ATOM 1134 HD13 ILE A 959 -18.323 -0.797 -9.352 1.00 43.20 H +ATOM 1135 N ILE A 960 -16.722 -5.778 -12.199 1.00 34.04 N +ATOM 1136 CA ILE A 960 -16.103 -7.089 -11.969 1.00 34.30 C +ATOM 1137 C ILE A 960 -16.404 -7.598 -10.542 1.00 39.83 C +ATOM 1138 O ILE A 960 -16.171 -6.877 -9.571 1.00 39.81 O +ATOM 1139 CB ILE A 960 -14.562 -7.077 -12.223 1.00 35.69 C +ATOM 1140 CG1 ILE A 960 -13.980 -8.512 -12.252 1.00 36.05 C +ATOM 1141 CG2 ILE A 960 -13.761 -6.184 -11.246 1.00 35.48 C +ATOM 1142 CD1 ILE A 960 -12.566 -8.631 -12.844 1.00 37.96 C +ATOM 1143 H ILE A 960 -16.085 -5.009 -12.369 1.00 34.04 H +ATOM 1144 HA ILE A 960 -16.557 -7.774 -12.688 1.00 34.30 H +ATOM 1145 HB ILE A 960 -14.424 -6.656 -13.220 1.00 35.69 H +ATOM 1146 HG13 ILE A 960 -14.642 -9.150 -12.839 1.00 36.05 H +ATOM 1147 HG12 ILE A 960 -13.984 -8.936 -11.247 1.00 36.05 H +ATOM 1148 HG21 ILE A 960 -12.742 -6.020 -11.594 1.00 35.48 H +ATOM 1149 HG22 ILE A 960 -14.222 -5.203 -11.131 1.00 35.48 H +ATOM 1150 HG23 ILE A 960 -13.683 -6.633 -10.257 1.00 35.48 H +ATOM 1151 HD11 ILE A 960 -11.934 -9.264 -12.221 1.00 37.96 H +ATOM 1152 HD12 ILE A 960 -12.597 -9.084 -13.834 1.00 37.96 H +ATOM 1153 HD13 ILE A 960 -12.065 -7.670 -12.948 1.00 37.96 H +ATOM 1154 N LYS A 961 -16.984 -8.804 -10.450 1.00 38.47 N +ATOM 1155 CA LYS A 961 -17.508 -9.334 -9.197 1.00 40.15 C +ATOM 1156 C LYS A 961 -16.382 -9.870 -8.302 1.00 44.21 C +ATOM 1157 O LYS A 961 -15.549 -10.660 -8.753 1.00 42.58 O +ATOM 1158 CB LYS A 961 -18.572 -10.416 -9.471 1.00 43.99 C +ATOM 1159 CG LYS A 961 -19.531 -10.611 -8.279 1.00 65.82 C +ATOM 1160 CD LYS A 961 -20.376 -11.889 -8.358 1.00 82.27 C +ATOM 1161 CE LYS A 961 -19.590 -13.141 -7.933 1.00 98.09 C +ATOM 1162 NZ LYS A 961 -20.439 -14.344 -7.951 1.00108.33 N1+ +ATOM 1163 H LYS A 961 -17.162 -9.351 -11.285 1.00 38.47 H +ATOM 1164 HA LYS A 961 -18.005 -8.516 -8.672 1.00 40.15 H +ATOM 1165 HB3 LYS A 961 -18.087 -11.352 -9.750 1.00 43.99 H +ATOM 1166 HB2 LYS A 961 -19.179 -10.126 -10.330 1.00 43.99 H +ATOM 1167 HG3 LYS A 961 -20.200 -9.751 -8.233 1.00 65.82 H +ATOM 1168 HG2 LYS A 961 -18.986 -10.605 -7.335 1.00 65.82 H +ATOM 1169 HD3 LYS A 961 -20.746 -12.012 -9.378 1.00 82.27 H +ATOM 1170 HD2 LYS A 961 -21.259 -11.767 -7.729 1.00 82.27 H +ATOM 1171 HE3 LYS A 961 -19.197 -13.012 -6.923 1.00 98.09 H +ATOM 1172 HE2 LYS A 961 -18.735 -13.304 -8.589 1.00 98.09 H +ATOM 1173 HZ1 LYS A 961 -20.777 -14.500 -8.890 1.00108.33 H +ATOM 1174 HZ2 LYS A 961 -19.902 -15.143 -7.647 1.00108.33 H +ATOM 1175 HZ3 LYS A 961 -21.224 -14.213 -7.329 1.00108.33 H +ATOM 1176 N TYR A 962 -16.430 -9.444 -7.032 1.00 42.43 N +ATOM 1177 CA TYR A 962 -15.610 -9.940 -5.935 1.00 43.53 C +ATOM 1178 C TYR A 962 -16.001 -11.390 -5.592 1.00 47.09 C +ATOM 1179 O TYR A 962 -17.139 -11.625 -5.182 1.00 48.07 O +ATOM 1180 CB TYR A 962 -15.807 -8.977 -4.743 1.00 46.00 C +ATOM 1181 CG TYR A 962 -15.052 -9.322 -3.473 1.00 48.99 C +ATOM 1182 CD1 TYR A 962 -13.693 -8.973 -3.349 1.00 50.72 C +ATOM 1183 CD2 TYR A 962 -15.708 -9.972 -2.407 1.00 51.43 C +ATOM 1184 CE1 TYR A 962 -12.986 -9.292 -2.173 1.00 52.08 C +ATOM 1185 CE2 TYR A 962 -15.003 -10.287 -1.231 1.00 53.15 C +ATOM 1186 CZ TYR A 962 -13.638 -9.957 -1.118 1.00 59.98 C +ATOM 1187 OH TYR A 962 -12.946 -10.296 0.007 1.00 63.78 O +ATOM 1188 H TYR A 962 -17.144 -8.781 -6.769 1.00 42.43 H +ATOM 1189 HA TYR A 962 -14.562 -9.907 -6.242 1.00 43.53 H +ATOM 1190 HB3 TYR A 962 -16.868 -8.902 -4.498 1.00 46.00 H +ATOM 1191 HB2 TYR A 962 -15.510 -7.972 -5.041 1.00 46.00 H +ATOM 1192 HD1 TYR A 962 -13.193 -8.463 -4.159 1.00 50.72 H +ATOM 1193 HD2 TYR A 962 -16.752 -10.238 -2.492 1.00 51.43 H +ATOM 1194 HE1 TYR A 962 -11.942 -9.032 -2.085 1.00 52.08 H +ATOM 1195 HE2 TYR A 962 -15.506 -10.796 -0.421 1.00 53.15 H +ATOM 1196 HH TYR A 962 -12.006 -10.107 -0.068 1.00 63.78 H +ATOM 1197 N LYS A 963 -15.056 -12.326 -5.771 1.00 42.37 N +ATOM 1198 CA LYS A 963 -15.203 -13.726 -5.366 1.00 42.56 C +ATOM 1199 C LYS A 963 -14.894 -13.913 -3.870 1.00 48.47 C +ATOM 1200 O LYS A 963 -15.618 -14.649 -3.202 1.00 50.00 O +ATOM 1201 CB LYS A 963 -14.273 -14.612 -6.220 1.00 43.06 C +ATOM 1202 CG LYS A 963 -14.767 -14.929 -7.644 1.00 48.30 C +ATOM 1203 CD LYS A 963 -15.641 -16.192 -7.735 1.00 61.25 C +ATOM 1204 CE LYS A 963 -15.976 -16.567 -9.192 1.00 72.82 C +ATOM 1205 NZ LYS A 963 -16.598 -17.901 -9.298 1.00 84.70 N1+ +ATOM 1206 H LYS A 963 -14.146 -12.058 -6.119 1.00 42.37 H +ATOM 1207 HA LYS A 963 -16.234 -14.043 -5.540 1.00 42.56 H +ATOM 1208 HB3 LYS A 963 -14.079 -15.557 -5.715 1.00 43.06 H +ATOM 1209 HB2 LYS A 963 -13.305 -14.125 -6.282 1.00 43.06 H +ATOM 1210 HG3 LYS A 963 -13.891 -15.083 -8.273 1.00 48.30 H +ATOM 1211 HG2 LYS A 963 -15.294 -14.072 -8.064 1.00 48.30 H +ATOM 1212 HD3 LYS A 963 -16.561 -16.038 -7.170 1.00 61.25 H +ATOM 1213 HD2 LYS A 963 -15.118 -17.020 -7.253 1.00 61.25 H +ATOM 1214 HE3 LYS A 963 -15.071 -16.580 -9.798 1.00 72.82 H +ATOM 1215 HE2 LYS A 963 -16.640 -15.822 -9.633 1.00 72.82 H +ATOM 1216 HZ1 LYS A 963 -17.463 -17.922 -8.778 1.00 84.70 H +ATOM 1217 HZ2 LYS A 963 -16.786 -18.114 -10.268 1.00 84.70 H +ATOM 1218 HZ3 LYS A 963 -15.968 -18.599 -8.928 1.00 84.70 H +ATOM 1219 N GLY A 964 -13.828 -13.257 -3.383 1.00 44.37 N +ATOM 1220 CA GLY A 964 -13.322 -13.425 -2.026 1.00 45.35 C +ATOM 1221 C GLY A 964 -11.876 -12.923 -1.976 1.00 49.58 C +ATOM 1222 O GLY A 964 -11.436 -12.157 -2.835 1.00 45.71 O +ATOM 1223 H GLY A 964 -13.284 -12.660 -3.993 1.00 44.37 H +ATOM 1224 HA3 GLY A 964 -13.348 -14.475 -1.734 1.00 45.35 H +ATOM 1225 HA2 GLY A 964 -13.937 -12.871 -1.318 1.00 45.35 H +ATOM 1226 N CYS A 965 -11.142 -13.356 -0.943 1.00 49.54 N +ATOM 1227 CA CYS A 965 -9.711 -13.105 -0.776 1.00 51.02 C +ATOM 1228 C CYS A 965 -8.996 -14.425 -0.468 1.00 57.60 C +ATOM 1229 O CYS A 965 -9.612 -15.360 0.039 1.00 57.77 O +ATOM 1230 CB CYS A 965 -9.421 -12.070 0.332 1.00 52.68 C +ATOM 1231 SG CYS A 965 -9.626 -10.388 -0.314 1.00 55.96 S +ATOM 1232 H CYS A 965 -11.563 -13.969 -0.256 1.00 49.54 H +ATOM 1233 HA CYS A 965 -9.296 -12.749 -1.718 1.00 51.02 H +ATOM 1234 HB3 CYS A 965 -8.393 -12.146 0.688 1.00 52.68 H +ATOM 1235 HB2 CYS A 965 -10.070 -12.219 1.196 1.00 52.68 H +ATOM 1236 HG CYS A 965 -8.572 -10.428 -1.135 1.00 55.96 H +ATOM 1237 N CYS A 966 -7.692 -14.458 -0.772 1.00 56.83 N +ATOM 1238 CA CYS A 966 -6.805 -15.582 -0.501 1.00 59.37 C +ATOM 1239 C CYS A 966 -5.684 -15.111 0.433 1.00 64.61 C +ATOM 1240 O CYS A 966 -5.062 -14.084 0.157 1.00 62.66 O +ATOM 1241 CB CYS A 966 -6.273 -16.194 -1.818 1.00 59.95 C +ATOM 1242 SG CYS A 966 -5.028 -17.487 -1.549 1.00 65.77 S +ATOM 1243 H CYS A 966 -7.257 -13.642 -1.183 1.00 56.83 H +ATOM 1244 HA CYS A 966 -7.354 -16.359 0.028 1.00 59.37 H +ATOM 1245 HB3 CYS A 966 -5.833 -15.427 -2.450 1.00 59.95 H +ATOM 1246 HB2 CYS A 966 -7.087 -16.624 -2.397 1.00 59.95 H +ATOM 1247 HG CYS A 966 -5.856 -18.347 -0.947 1.00 65.77 H +ATOM 1248 N GLU A 967 -5.426 -15.894 1.495 1.00 64.28 N +ATOM 1249 CA GLU A 967 -4.285 -15.722 2.393 1.00 65.86 C +ATOM 1250 C GLU A 967 -2.977 -16.001 1.633 1.00 70.57 C +ATOM 1251 O GLU A 967 -2.751 -17.140 1.218 1.00 70.73 O +ATOM 1252 CB GLU A 967 -4.432 -16.675 3.601 1.00 69.10 C +ATOM 1253 CG GLU A 967 -3.299 -16.537 4.661 1.00 81.26 C +ATOM 1254 CD GLU A 967 -2.819 -17.832 5.345 1.00 98.19 C +ATOM 1255 OE1 GLU A 967 -1.791 -17.730 6.051 1.00 78.88 O +ATOM 1256 OE2 GLU A 967 -3.452 -18.898 5.170 1.00 93.22 O1- +ATOM 1257 H GLU A 967 -5.983 -16.723 1.647 1.00 64.28 H +ATOM 1258 HA GLU A 967 -4.285 -14.693 2.759 1.00 65.86 H +ATOM 1259 HB3 GLU A 967 -4.506 -17.692 3.214 1.00 69.10 H +ATOM 1260 HB2 GLU A 967 -5.388 -16.487 4.092 1.00 69.10 H +ATOM 1261 HG3 GLU A 967 -3.640 -15.856 5.442 1.00 81.26 H +ATOM 1262 HG2 GLU A 967 -2.419 -16.055 4.236 1.00 81.26 H +ATOM 1263 N ASP A 968 -2.146 -14.959 1.486 1.00 66.99 N +ATOM 1264 CA ASP A 968 -0.819 -15.061 0.893 1.00 67.07 C +ATOM 1265 C ASP A 968 0.183 -15.084 2.058 1.00 72.70 C +ATOM 1266 O ASP A 968 0.385 -14.059 2.713 1.00 72.95 O +ATOM 1267 CB ASP A 968 -0.562 -13.898 -0.102 1.00 67.90 C +ATOM 1268 CG ASP A 968 0.531 -14.115 -1.163 1.00 83.41 C +ATOM 1269 OD1 ASP A 968 1.212 -15.166 -1.136 1.00 85.94 O +ATOM 1270 OD2 ASP A 968 0.684 -13.199 -2.001 1.00 90.83 O1- +ATOM 1271 H ASP A 968 -2.394 -14.052 1.856 1.00 66.99 H +ATOM 1272 HA ASP A 968 -0.742 -16.003 0.347 1.00 67.07 H +ATOM 1273 HB3 ASP A 968 -0.318 -12.982 0.436 1.00 67.90 H +ATOM 1274 HB2 ASP A 968 -1.498 -13.674 -0.611 1.00 67.90 H +ATOM 1275 N ALA A 969 0.769 -16.269 2.300 1.00 69.93 N +ATOM 1276 CA ALA A 969 1.803 -16.496 3.313 1.00 70.98 C +ATOM 1277 C ALA A 969 3.133 -15.800 2.972 1.00 74.28 C +ATOM 1278 O ALA A 969 3.798 -15.301 3.880 1.00 74.55 O +ATOM 1279 CB ALA A 969 1.999 -18.007 3.503 1.00 72.54 C +ATOM 1280 H ALA A 969 0.520 -17.067 1.734 1.00 69.93 H +ATOM 1281 HA ALA A 969 1.442 -16.082 4.258 1.00 70.98 H +ATOM 1282 HB1 ALA A 969 2.753 -18.215 4.264 1.00 72.54 H +ATOM 1283 HB2 ALA A 969 1.072 -18.482 3.826 1.00 72.54 H +ATOM 1284 HB3 ALA A 969 2.317 -18.490 2.579 1.00 72.54 H +ATOM 1285 N GLY A 970 3.455 -15.723 1.668 1.00 69.45 N +ATOM 1286 CA GLY A 970 4.486 -14.840 1.127 1.00 69.02 C +ATOM 1287 C GLY A 970 3.895 -13.429 0.997 1.00 72.14 C +ATOM 1288 O GLY A 970 2.682 -13.266 0.899 1.00 71.87 O +ATOM 1289 H GLY A 970 2.832 -16.144 0.993 1.00 69.45 H +ATOM 1290 HA3 GLY A 970 4.784 -15.198 0.141 1.00 69.02 H +ATOM 1291 HA2 GLY A 970 5.374 -14.835 1.761 1.00 69.02 H +ATOM 1292 N ALA A 971 4.753 -12.396 1.021 1.00 67.87 N +ATOM 1293 CA ALA A 971 4.399 -10.968 0.975 1.00 66.36 C +ATOM 1294 C ALA A 971 3.642 -10.423 2.209 1.00 68.68 C +ATOM 1295 O ALA A 971 3.602 -9.204 2.353 1.00 67.93 O +ATOM 1296 CB ALA A 971 3.635 -10.620 -0.324 1.00 65.39 C +ATOM 1297 H ALA A 971 5.740 -12.592 1.108 1.00 67.87 H +ATOM 1298 HA ALA A 971 5.351 -10.437 0.943 1.00 66.36 H +ATOM 1299 HB1 ALA A 971 3.520 -9.542 -0.439 1.00 65.39 H +ATOM 1300 HB2 ALA A 971 4.163 -10.985 -1.204 1.00 65.39 H +ATOM 1301 HB3 ALA A 971 2.631 -11.045 -0.345 1.00 65.39 H +ATOM 1302 N ALA A 972 3.071 -11.293 3.066 1.00 64.62 N +ATOM 1303 CA ALA A 972 2.294 -10.981 4.274 1.00 64.42 C +ATOM 1304 C ALA A 972 1.103 -10.047 3.984 1.00 65.37 C +ATOM 1305 O ALA A 972 1.060 -8.921 4.484 1.00 65.17 O +ATOM 1306 CB ALA A 972 3.227 -10.442 5.377 1.00 66.93 C +ATOM 1307 H ALA A 972 3.134 -12.278 2.848 1.00 64.62 H +ATOM 1308 HA ALA A 972 1.876 -11.926 4.624 1.00 64.42 H +ATOM 1309 HB1 ALA A 972 2.682 -10.275 6.307 1.00 66.93 H +ATOM 1310 HB2 ALA A 972 4.025 -11.154 5.594 1.00 66.93 H +ATOM 1311 HB3 ALA A 972 3.695 -9.499 5.094 1.00 66.93 H +ATOM 1312 N SER A 973 0.184 -10.522 3.129 1.00 59.44 N +ATOM 1313 CA SER A 973 -0.932 -9.741 2.593 1.00 57.90 C +ATOM 1314 C SER A 973 -2.075 -10.655 2.119 1.00 59.01 C +ATOM 1315 O SER A 973 -1.921 -11.876 2.086 1.00 59.49 O +ATOM 1316 CB SER A 973 -0.403 -8.798 1.481 1.00 60.76 C +ATOM 1317 OG SER A 973 0.026 -9.508 0.334 1.00 68.97 O +ATOM 1318 H SER A 973 0.267 -11.466 2.774 1.00 59.44 H +ATOM 1319 HA SER A 973 -1.339 -9.130 3.402 1.00 57.90 H +ATOM 1320 HB3 SER A 973 0.421 -8.183 1.842 1.00 60.76 H +ATOM 1321 HB2 SER A 973 -1.186 -8.105 1.171 1.00 60.76 H +ATOM 1322 HG SER A 973 0.794 -10.035 0.572 1.00 68.97 H +ATOM 1323 N LEU A 974 -3.205 -10.033 1.747 1.00 52.28 N +ATOM 1324 CA LEU A 974 -4.302 -10.697 1.044 1.00 50.34 C +ATOM 1325 C LEU A 974 -4.106 -10.533 -0.466 1.00 50.70 C +ATOM 1326 O LEU A 974 -3.776 -9.438 -0.918 1.00 49.90 O +ATOM 1327 CB LEU A 974 -5.652 -10.057 1.444 1.00 50.33 C +ATOM 1328 CG LEU A 974 -6.133 -10.385 2.872 1.00 55.89 C +ATOM 1329 CD1 LEU A 974 -7.390 -9.560 3.225 1.00 55.99 C +ATOM 1330 CD2 LEU A 974 -6.349 -11.900 3.087 1.00 57.89 C +ATOM 1331 H LEU A 974 -3.270 -9.028 1.815 1.00 52.28 H +ATOM 1332 HA LEU A 974 -4.317 -11.761 1.282 1.00 50.34 H +ATOM 1333 HB3 LEU A 974 -6.429 -10.378 0.746 1.00 50.33 H +ATOM 1334 HB2 LEU A 974 -5.580 -8.974 1.322 1.00 50.33 H +ATOM 1335 HG LEU A 974 -5.348 -10.068 3.560 1.00 55.89 H +ATOM 1336 HD11 LEU A 974 -7.239 -9.004 4.151 1.00 55.99 H +ATOM 1337 HD12 LEU A 974 -7.635 -8.832 2.451 1.00 55.99 H +ATOM 1338 HD13 LEU A 974 -8.277 -10.179 3.359 1.00 55.99 H +ATOM 1339 HD21 LEU A 974 -7.274 -12.124 3.617 1.00 57.89 H +ATOM 1340 HD22 LEU A 974 -6.384 -12.447 2.144 1.00 57.89 H +ATOM 1341 HD23 LEU A 974 -5.535 -12.324 3.676 1.00 57.89 H +ATOM 1342 N GLN A 975 -4.395 -11.603 -1.216 1.00 44.54 N +ATOM 1343 CA GLN A 975 -4.655 -11.549 -2.651 1.00 42.17 C +ATOM 1344 C GLN A 975 -6.158 -11.329 -2.878 1.00 43.56 C +ATOM 1345 O GLN A 975 -6.971 -11.919 -2.168 1.00 42.93 O +ATOM 1346 CB GLN A 975 -4.191 -12.855 -3.311 1.00 43.83 C +ATOM 1347 CG GLN A 975 -2.665 -12.973 -3.441 1.00 59.19 C +ATOM 1348 CD GLN A 975 -2.252 -14.354 -3.950 1.00 77.91 C +ATOM 1349 OE1 GLN A 975 -1.888 -14.512 -5.113 1.00 74.64 O +ATOM 1350 NE2 GLN A 975 -2.324 -15.365 -3.082 1.00 71.32 N +ATOM 1351 H GLN A 975 -4.643 -12.473 -0.760 1.00 44.54 H +ATOM 1352 HA GLN A 975 -4.101 -10.725 -3.104 1.00 42.17 H +ATOM 1353 HB3 GLN A 975 -4.625 -12.926 -4.306 1.00 43.83 H +ATOM 1354 HB2 GLN A 975 -4.582 -13.695 -2.742 1.00 43.83 H +ATOM 1355 HG3 GLN A 975 -2.186 -12.784 -2.484 1.00 59.19 H +ATOM 1356 HG2 GLN A 975 -2.291 -12.209 -4.121 1.00 59.19 H +ATOM 1357 HE22 GLN A 975 -2.096 -16.302 -3.374 1.00 71.32 H +ATOM 1358 HE21 GLN A 975 -2.627 -15.202 -2.132 1.00 71.32 H +ATOM 1359 N LEU A 976 -6.488 -10.492 -3.868 1.00 37.72 N +ATOM 1360 CA LEU A 976 -7.847 -10.131 -4.255 1.00 36.76 C +ATOM 1361 C LEU A 976 -8.327 -11.093 -5.350 1.00 38.66 C +ATOM 1362 O LEU A 976 -7.956 -10.919 -6.512 1.00 37.25 O +ATOM 1363 CB LEU A 976 -7.819 -8.656 -4.717 1.00 36.56 C +ATOM 1364 CG LEU A 976 -9.143 -8.055 -5.237 1.00 41.61 C +ATOM 1365 CD1 LEU A 976 -10.288 -8.184 -4.216 1.00 43.42 C +ATOM 1366 CD2 LEU A 976 -8.926 -6.598 -5.699 1.00 42.85 C +ATOM 1367 H LEU A 976 -5.752 -10.099 -4.441 1.00 37.72 H +ATOM 1368 HA LEU A 976 -8.510 -10.216 -3.392 1.00 36.76 H +ATOM 1369 HB3 LEU A 976 -7.085 -8.565 -5.513 1.00 36.56 H +ATOM 1370 HB2 LEU A 976 -7.445 -8.039 -3.900 1.00 36.56 H +ATOM 1371 HG LEU A 976 -9.442 -8.613 -6.124 1.00 41.61 H +ATOM 1372 HD11 LEU A 976 -10.930 -7.303 -4.187 1.00 43.42 H +ATOM 1373 HD12 LEU A 976 -10.920 -9.035 -4.469 1.00 43.42 H +ATOM 1374 HD13 LEU A 976 -9.917 -8.343 -3.204 1.00 43.42 H +ATOM 1375 HD21 LEU A 976 -9.526 -5.885 -5.134 1.00 42.85 H +ATOM 1376 HD22 LEU A 976 -7.888 -6.282 -5.594 1.00 42.85 H +ATOM 1377 HD23 LEU A 976 -9.185 -6.482 -6.752 1.00 42.85 H +ATOM 1378 N VAL A 977 -9.134 -12.091 -4.958 1.00 35.03 N +ATOM 1379 CA VAL A 977 -9.722 -13.059 -5.882 1.00 34.91 C +ATOM 1380 C VAL A 977 -10.993 -12.447 -6.502 1.00 38.85 C +ATOM 1381 O VAL A 977 -11.896 -12.025 -5.778 1.00 39.08 O +ATOM 1382 CB VAL A 977 -10.085 -14.406 -5.191 1.00 39.71 C +ATOM 1383 CG1 VAL A 977 -10.564 -15.484 -6.188 1.00 39.45 C +ATOM 1384 CG2 VAL A 977 -8.900 -14.967 -4.381 1.00 39.89 C +ATOM 1385 H VAL A 977 -9.424 -12.162 -3.993 1.00 35.03 H +ATOM 1386 HA VAL A 977 -9.005 -13.279 -6.676 1.00 34.91 H +ATOM 1387 HB VAL A 977 -10.902 -14.237 -4.489 1.00 39.71 H +ATOM 1388 HG11 VAL A 977 -10.841 -16.401 -5.668 1.00 39.45 H +ATOM 1389 HG12 VAL A 977 -11.429 -15.174 -6.770 1.00 39.45 H +ATOM 1390 HG13 VAL A 977 -9.779 -15.739 -6.898 1.00 39.45 H +ATOM 1391 HG21 VAL A 977 -9.153 -15.924 -3.927 1.00 39.89 H +ATOM 1392 HG22 VAL A 977 -8.024 -15.122 -5.011 1.00 39.89 H +ATOM 1393 HG23 VAL A 977 -8.610 -14.298 -3.573 1.00 39.89 H +ATOM 1394 N MET A 978 -11.015 -12.404 -7.839 1.00 34.03 N +ATOM 1395 CA MET A 978 -12.113 -11.896 -8.660 1.00 34.32 C +ATOM 1396 C MET A 978 -12.538 -12.993 -9.643 1.00 36.69 C +ATOM 1397 O MET A 978 -11.818 -13.978 -9.822 1.00 35.63 O +ATOM 1398 CB MET A 978 -11.644 -10.647 -9.443 1.00 36.81 C +ATOM 1399 CG MET A 978 -10.999 -9.544 -8.586 1.00 41.50 C +ATOM 1400 SD MET A 978 -10.358 -8.128 -9.522 1.00 45.78 S +ATOM 1401 CE MET A 978 -8.942 -8.902 -10.352 1.00 42.96 C +ATOM 1402 H MET A 978 -10.221 -12.753 -8.360 1.00 34.03 H +ATOM 1403 HA MET A 978 -12.972 -11.635 -8.040 1.00 34.32 H +ATOM 1404 HB3 MET A 978 -12.500 -10.218 -9.964 1.00 36.81 H +ATOM 1405 HB2 MET A 978 -10.949 -10.945 -10.226 1.00 36.81 H +ATOM 1406 HG3 MET A 978 -10.167 -9.942 -8.007 1.00 41.50 H +ATOM 1407 HG2 MET A 978 -11.729 -9.178 -7.865 1.00 41.50 H +ATOM 1408 HE1 MET A 978 -8.326 -8.141 -10.832 1.00 42.96 H +ATOM 1409 HE2 MET A 978 -8.328 -9.444 -9.634 1.00 42.96 H +ATOM 1410 HE3 MET A 978 -9.276 -9.600 -11.120 1.00 42.96 H +ATOM 1411 N GLU A 979 -13.692 -12.793 -10.297 1.00 33.63 N +ATOM 1412 CA GLU A 979 -14.132 -13.639 -11.407 1.00 33.95 C +ATOM 1413 C GLU A 979 -13.224 -13.450 -12.637 1.00 35.56 C +ATOM 1414 O GLU A 979 -12.741 -12.343 -12.884 1.00 32.73 O +ATOM 1415 CB GLU A 979 -15.611 -13.341 -11.735 1.00 36.17 C +ATOM 1416 CG GLU A 979 -15.895 -11.927 -12.301 1.00 42.68 C +ATOM 1417 CD GLU A 979 -17.362 -11.631 -12.644 1.00 58.73 C +ATOM 1418 OE1 GLU A 979 -18.206 -12.554 -12.607 1.00 57.48 O +ATOM 1419 OE2 GLU A 979 -17.624 -10.444 -12.930 1.00 43.43 O1- +ATOM 1420 H GLU A 979 -14.250 -11.971 -10.107 1.00 33.63 H +ATOM 1421 HA GLU A 979 -14.064 -14.680 -11.082 1.00 33.95 H +ATOM 1422 HB3 GLU A 979 -16.208 -13.495 -10.835 1.00 36.17 H +ATOM 1423 HB2 GLU A 979 -15.958 -14.090 -12.449 1.00 36.17 H +ATOM 1424 HG3 GLU A 979 -15.329 -11.770 -13.218 1.00 42.68 H +ATOM 1425 HG2 GLU A 979 -15.547 -11.175 -11.591 1.00 42.68 H +ATOM 1426 N TYR A 980 -13.046 -14.537 -13.401 1.00 33.04 N +ATOM 1427 CA TYR A 980 -12.435 -14.501 -14.725 1.00 34.05 C +ATOM 1428 C TYR A 980 -13.483 -14.026 -15.745 1.00 39.90 C +ATOM 1429 O TYR A 980 -14.472 -14.726 -15.958 1.00 41.17 O +ATOM 1430 CB TYR A 980 -11.868 -15.895 -15.054 1.00 36.60 C +ATOM 1431 CG TYR A 980 -11.332 -16.062 -16.464 1.00 38.89 C +ATOM 1432 CD1 TYR A 980 -10.181 -15.355 -16.870 1.00 40.20 C +ATOM 1433 CD2 TYR A 980 -11.982 -16.925 -17.372 1.00 40.57 C +ATOM 1434 CE1 TYR A 980 -9.674 -15.525 -18.172 1.00 41.79 C +ATOM 1435 CE2 TYR A 980 -11.480 -17.085 -18.677 1.00 41.35 C +ATOM 1436 CZ TYR A 980 -10.325 -16.386 -19.077 1.00 46.65 C +ATOM 1437 OH TYR A 980 -9.838 -16.543 -20.341 1.00 46.21 O +ATOM 1438 H TYR A 980 -13.471 -15.414 -13.135 1.00 33.04 H +ATOM 1439 HA TYR A 980 -11.599 -13.798 -14.714 1.00 34.05 H +ATOM 1440 HB3 TYR A 980 -12.642 -16.648 -14.893 1.00 36.60 H +ATOM 1441 HB2 TYR A 980 -11.066 -16.137 -14.355 1.00 36.60 H +ATOM 1442 HD1 TYR A 980 -9.678 -14.693 -16.181 1.00 40.20 H +ATOM 1443 HD2 TYR A 980 -12.868 -17.466 -17.073 1.00 40.57 H +ATOM 1444 HE1 TYR A 980 -8.783 -14.995 -18.472 1.00 41.79 H +ATOM 1445 HE2 TYR A 980 -11.986 -17.745 -19.366 1.00 41.35 H +ATOM 1446 HH TYR A 980 -10.419 -17.063 -20.902 1.00 46.21 H +ATOM 1447 N VAL A 981 -13.243 -12.844 -16.331 1.00 35.70 N +ATOM 1448 CA VAL A 981 -14.105 -12.203 -17.322 1.00 35.13 C +ATOM 1449 C VAL A 981 -13.580 -12.610 -18.729 1.00 39.95 C +ATOM 1450 O VAL A 981 -12.511 -12.123 -19.104 1.00 40.49 O +ATOM 1451 CB VAL A 981 -14.061 -10.658 -17.131 1.00 37.53 C +ATOM 1452 CG1 VAL A 981 -14.865 -9.900 -18.194 1.00 37.76 C +ATOM 1453 CG2 VAL A 981 -14.577 -10.251 -15.736 1.00 36.89 C +ATOM 1454 H VAL A 981 -12.403 -12.336 -16.094 1.00 35.70 H +ATOM 1455 HA VAL A 981 -15.141 -12.487 -17.157 1.00 35.13 H +ATOM 1456 HB VAL A 981 -13.027 -10.316 -17.194 1.00 37.53 H +ATOM 1457 HG11 VAL A 981 -15.030 -8.860 -17.916 1.00 37.76 H +ATOM 1458 HG12 VAL A 981 -14.337 -9.900 -19.144 1.00 37.76 H +ATOM 1459 HG13 VAL A 981 -15.848 -10.347 -18.332 1.00 37.76 H +ATOM 1460 HG21 VAL A 981 -14.545 -9.169 -15.601 1.00 36.89 H +ATOM 1461 HG22 VAL A 981 -15.608 -10.571 -15.585 1.00 36.89 H +ATOM 1462 HG23 VAL A 981 -13.974 -10.689 -14.942 1.00 36.89 H +ATOM 1463 N PRO A 982 -14.241 -13.581 -19.416 1.00 37.29 N +ATOM 1464 CA PRO A 982 -13.592 -14.428 -20.446 1.00 36.67 C +ATOM 1465 C PRO A 982 -12.871 -13.788 -21.645 1.00 38.06 C +ATOM 1466 O PRO A 982 -11.842 -14.330 -22.047 1.00 37.41 O +ATOM 1467 CB PRO A 982 -14.705 -15.369 -20.926 1.00 39.18 C +ATOM 1468 CG PRO A 982 -15.606 -15.513 -19.720 1.00 44.96 C +ATOM 1469 CD PRO A 982 -15.576 -14.120 -19.111 1.00 40.09 C +ATOM 1470 HA PRO A 982 -12.855 -15.022 -19.904 1.00 36.67 H +ATOM 1471 HB3 PRO A 982 -14.326 -16.330 -21.276 1.00 39.18 H +ATOM 1472 HB2 PRO A 982 -15.269 -14.915 -21.745 1.00 39.18 H +ATOM 1473 HG3 PRO A 982 -15.167 -16.226 -19.021 1.00 44.96 H +ATOM 1474 HG2 PRO A 982 -16.612 -15.855 -19.966 1.00 44.96 H +ATOM 1475 HD2 PRO A 982 -16.322 -13.488 -19.589 1.00 40.09 H +ATOM 1476 HD3 PRO A 982 -15.833 -14.200 -18.058 1.00 40.09 H +ATOM 1477 N LEU A 983 -13.410 -12.695 -22.212 1.00 33.36 N +ATOM 1478 CA LEU A 983 -12.867 -12.076 -23.431 1.00 31.91 C +ATOM 1479 C LEU A 983 -11.838 -10.960 -23.155 1.00 34.62 C +ATOM 1480 O LEU A 983 -11.266 -10.441 -24.114 1.00 34.03 O +ATOM 1481 CB LEU A 983 -14.023 -11.600 -24.346 1.00 31.79 C +ATOM 1482 CG LEU A 983 -14.935 -12.735 -24.868 1.00 36.75 C +ATOM 1483 CD1 LEU A 983 -16.149 -12.165 -25.617 1.00 37.07 C +ATOM 1484 CD2 LEU A 983 -14.182 -13.760 -25.739 1.00 39.07 C +ATOM 1485 H LEU A 983 -14.253 -12.283 -21.835 1.00 33.36 H +ATOM 1486 HA LEU A 983 -12.308 -12.827 -23.990 1.00 31.91 H +ATOM 1487 HB3 LEU A 983 -13.617 -11.066 -25.205 1.00 31.79 H +ATOM 1488 HB2 LEU A 983 -14.631 -10.871 -23.818 1.00 31.79 H +ATOM 1489 HG LEU A 983 -15.336 -13.264 -24.002 1.00 36.75 H +ATOM 1490 HD11 LEU A 983 -16.944 -12.908 -25.684 1.00 37.07 H +ATOM 1491 HD12 LEU A 983 -16.559 -11.295 -25.106 1.00 37.07 H +ATOM 1492 HD13 LEU A 983 -15.890 -11.865 -26.633 1.00 37.07 H +ATOM 1493 HD21 LEU A 983 -14.730 -14.004 -26.649 1.00 39.07 H +ATOM 1494 HD22 LEU A 983 -13.202 -13.396 -26.048 1.00 39.07 H +ATOM 1495 HD23 LEU A 983 -14.030 -14.692 -25.194 1.00 39.07 H +ATOM 1496 N GLY A 984 -11.577 -10.645 -21.872 1.00 30.54 N +ATOM 1497 CA GLY A 984 -10.542 -9.702 -21.438 1.00 29.44 C +ATOM 1498 C GLY A 984 -10.893 -8.247 -21.772 1.00 30.46 C +ATOM 1499 O GLY A 984 -12.035 -7.935 -22.104 1.00 29.51 O +ATOM 1500 H GLY A 984 -12.090 -11.120 -21.142 1.00 30.54 H +ATOM 1501 HA3 GLY A 984 -9.590 -9.962 -21.901 1.00 29.44 H +ATOM 1502 HA2 GLY A 984 -10.415 -9.792 -20.359 1.00 29.44 H +ATOM 1503 N SER A 985 -9.900 -7.349 -21.647 1.00 25.72 N +ATOM 1504 CA SER A 985 -10.058 -5.906 -21.855 1.00 25.55 C +ATOM 1505 C SER A 985 -10.449 -5.533 -23.295 1.00 28.85 C +ATOM 1506 O SER A 985 -10.017 -6.199 -24.235 1.00 26.31 O +ATOM 1507 CB SER A 985 -8.804 -5.158 -21.361 1.00 29.24 C +ATOM 1508 OG SER A 985 -7.724 -5.184 -22.273 1.00 35.45 O +ATOM 1509 H SER A 985 -8.976 -7.668 -21.385 1.00 25.72 H +ATOM 1510 HA SER A 985 -10.867 -5.593 -21.205 1.00 25.55 H +ATOM 1511 HB3 SER A 985 -8.479 -5.544 -20.395 1.00 29.24 H +ATOM 1512 HB2 SER A 985 -9.060 -4.111 -21.202 1.00 29.24 H +ATOM 1513 HG SER A 985 -7.369 -6.078 -22.315 1.00 35.45 H +ATOM 1514 N LEU A 986 -11.219 -4.440 -23.432 1.00 27.52 N +ATOM 1515 CA LEU A 986 -11.584 -3.835 -24.717 1.00 27.90 C +ATOM 1516 C LEU A 986 -10.369 -3.303 -25.499 1.00 31.20 C +ATOM 1517 O LEU A 986 -10.426 -3.281 -26.727 1.00 30.54 O +ATOM 1518 CB LEU A 986 -12.621 -2.712 -24.492 1.00 27.75 C +ATOM 1519 CG LEU A 986 -14.045 -3.208 -24.157 1.00 32.92 C +ATOM 1520 CD1 LEU A 986 -14.956 -2.019 -23.808 1.00 33.36 C +ATOM 1521 CD2 LEU A 986 -14.667 -4.058 -25.284 1.00 36.70 C +ATOM 1522 H LEU A 986 -11.542 -3.953 -22.605 1.00 27.52 H +ATOM 1523 HA LEU A 986 -12.030 -4.614 -25.334 1.00 27.90 H +ATOM 1524 HB3 LEU A 986 -12.688 -2.084 -25.381 1.00 27.75 H +ATOM 1525 HB2 LEU A 986 -12.263 -2.052 -23.700 1.00 27.75 H +ATOM 1526 HG LEU A 986 -13.980 -3.829 -23.262 1.00 32.92 H +ATOM 1527 HD11 LEU A 986 -15.724 -2.314 -23.100 1.00 33.36 H +ATOM 1528 HD12 LEU A 986 -14.399 -1.202 -23.350 1.00 33.36 H +ATOM 1529 HD13 LEU A 986 -15.463 -1.625 -24.690 1.00 33.36 H +ATOM 1530 HD21 LEU A 986 -15.731 -3.859 -25.406 1.00 36.70 H +ATOM 1531 HD22 LEU A 986 -14.192 -3.868 -26.245 1.00 36.70 H +ATOM 1532 HD23 LEU A 986 -14.561 -5.121 -25.075 1.00 36.70 H +ATOM 1533 N ARG A 987 -9.286 -2.929 -24.793 1.00 29.06 N +ATOM 1534 CA ARG A 987 -8.017 -2.516 -25.394 1.00 29.96 C +ATOM 1535 C ARG A 987 -7.291 -3.652 -26.137 1.00 34.81 C +ATOM 1536 O ARG A 987 -6.680 -3.387 -27.172 1.00 34.10 O +ATOM 1537 CB ARG A 987 -7.130 -1.836 -24.336 1.00 32.11 C +ATOM 1538 CG ARG A 987 -5.888 -1.139 -24.920 1.00 46.98 C +ATOM 1539 CD ARG A 987 -5.085 -0.392 -23.849 1.00 59.29 C +ATOM 1540 NE ARG A 987 -3.827 0.162 -24.375 1.00 65.62 N +ATOM 1541 CZ ARG A 987 -2.647 -0.473 -24.496 1.00 80.85 C +ATOM 1542 NH1 ARG A 987 -1.601 0.204 -24.984 1.00 71.30 N +ATOM 1543 NH2 ARG A 987 -2.483 -1.757 -24.139 1.00 64.23 N1+ +ATOM 1544 H ARG A 987 -9.312 -2.973 -23.784 1.00 29.06 H +ATOM 1545 HA ARG A 987 -8.262 -1.763 -26.133 1.00 29.96 H +ATOM 1546 HB3 ARG A 987 -6.823 -2.568 -23.588 1.00 32.11 H +ATOM 1547 HB2 ARG A 987 -7.722 -1.088 -23.808 1.00 32.11 H +ATOM 1548 HG3 ARG A 987 -6.268 -0.398 -25.626 1.00 46.98 H +ATOM 1549 HG2 ARG A 987 -5.251 -1.807 -25.500 1.00 46.98 H +ATOM 1550 HD3 ARG A 987 -4.953 -0.979 -22.940 1.00 59.29 H +ATOM 1551 HD2 ARG A 987 -5.653 0.492 -23.566 1.00 59.29 H +ATOM 1552 HE ARG A 987 -3.886 1.115 -24.706 1.00 65.62 H +ATOM 1553 HH12 ARG A 987 -0.701 -0.246 -25.082 1.00 71.30 H +ATOM 1554 HH11 ARG A 987 -1.705 1.173 -25.259 1.00 71.30 H +ATOM 1555 HH22 ARG A 987 -1.576 -2.198 -24.220 1.00 64.23 H +ATOM 1556 HH21 ARG A 987 -3.272 -2.303 -23.824 1.00 64.23 H +ATOM 1557 N ASP A 988 -7.393 -4.883 -25.612 1.00 32.33 N +ATOM 1558 CA ASP A 988 -6.818 -6.091 -26.208 1.00 32.03 C +ATOM 1559 C ASP A 988 -7.773 -6.753 -27.216 1.00 34.79 C +ATOM 1560 O ASP A 988 -7.292 -7.360 -28.172 1.00 33.45 O +ATOM 1561 CB ASP A 988 -6.383 -7.129 -25.141 1.00 34.09 C +ATOM 1562 CG ASP A 988 -5.386 -6.633 -24.076 1.00 50.64 C +ATOM 1563 OD1 ASP A 988 -4.621 -5.682 -24.352 1.00 52.94 O +ATOM 1564 OD2 ASP A 988 -5.324 -7.306 -23.023 1.00 55.56 O1- +ATOM 1565 H ASP A 988 -7.905 -5.013 -24.750 1.00 32.33 H +ATOM 1566 HA ASP A 988 -5.926 -5.807 -26.770 1.00 32.03 H +ATOM 1567 HB3 ASP A 988 -5.929 -7.992 -25.631 1.00 34.09 H +ATOM 1568 HB2 ASP A 988 -7.271 -7.493 -24.620 1.00 34.09 H +ATOM 1569 N TYR A 989 -9.092 -6.640 -26.993 1.00 30.87 N +ATOM 1570 CA TYR A 989 -10.115 -7.301 -27.799 1.00 30.93 C +ATOM 1571 C TYR A 989 -10.388 -6.577 -29.130 1.00 31.61 C +ATOM 1572 O TYR A 989 -10.312 -7.223 -30.174 1.00 30.88 O +ATOM 1573 CB TYR A 989 -11.391 -7.498 -26.954 1.00 32.58 C +ATOM 1574 CG TYR A 989 -12.492 -8.296 -27.630 1.00 35.88 C +ATOM 1575 CD1 TYR A 989 -12.518 -9.702 -27.516 1.00 38.76 C +ATOM 1576 CD2 TYR A 989 -13.493 -7.638 -28.372 1.00 37.33 C +ATOM 1577 CE1 TYR A 989 -13.542 -10.443 -28.137 1.00 41.81 C +ATOM 1578 CE2 TYR A 989 -14.514 -8.378 -28.996 1.00 39.43 C +ATOM 1579 CZ TYR A 989 -14.541 -9.782 -28.878 1.00 47.08 C +ATOM 1580 OH TYR A 989 -15.532 -10.501 -29.479 1.00 54.57 O +ATOM 1581 H TYR A 989 -9.417 -6.150 -26.170 1.00 30.87 H +ATOM 1582 HA TYR A 989 -9.748 -8.300 -28.046 1.00 30.93 H +ATOM 1583 HB3 TYR A 989 -11.794 -6.531 -26.652 1.00 32.58 H +ATOM 1584 HB2 TYR A 989 -11.134 -8.012 -26.026 1.00 32.58 H +ATOM 1585 HD1 TYR A 989 -11.755 -10.216 -26.949 1.00 38.76 H +ATOM 1586 HD2 TYR A 989 -13.476 -6.563 -28.464 1.00 37.33 H +ATOM 1587 HE1 TYR A 989 -13.559 -11.519 -28.045 1.00 41.81 H +ATOM 1588 HE2 TYR A 989 -15.272 -7.863 -29.563 1.00 39.43 H +ATOM 1589 HH TYR A 989 -16.158 -9.956 -29.961 1.00 54.57 H +ATOM 1590 N LEU A 990 -10.706 -5.269 -29.079 1.00 26.64 N +ATOM 1591 CA LEU A 990 -11.169 -4.493 -30.238 1.00 26.55 C +ATOM 1592 C LEU A 990 -10.208 -4.338 -31.443 1.00 32.26 C +ATOM 1593 O LEU A 990 -10.730 -4.254 -32.554 1.00 32.40 O +ATOM 1594 CB LEU A 990 -11.721 -3.111 -29.816 1.00 25.29 C +ATOM 1595 CG LEU A 990 -12.967 -3.137 -28.906 1.00 28.64 C +ATOM 1596 CD1 LEU A 990 -13.282 -1.724 -28.386 1.00 28.39 C +ATOM 1597 CD2 LEU A 990 -14.197 -3.752 -29.604 1.00 27.70 C +ATOM 1598 H LEU A 990 -10.708 -4.785 -28.191 1.00 26.64 H +ATOM 1599 HA LEU A 990 -12.009 -5.067 -30.634 1.00 26.55 H +ATOM 1600 HB3 LEU A 990 -11.971 -2.532 -30.706 1.00 25.29 H +ATOM 1601 HB2 LEU A 990 -10.926 -2.554 -29.318 1.00 25.29 H +ATOM 1602 HG LEU A 990 -12.740 -3.756 -28.038 1.00 28.64 H +ATOM 1603 HD11 LEU A 990 -14.289 -1.658 -27.974 1.00 28.39 H +ATOM 1604 HD12 LEU A 990 -12.591 -1.441 -27.593 1.00 28.39 H +ATOM 1605 HD13 LEU A 990 -13.197 -0.978 -29.176 1.00 28.39 H +ATOM 1606 HD21 LEU A 990 -15.056 -3.083 -29.591 1.00 27.70 H +ATOM 1607 HD22 LEU A 990 -14.006 -3.989 -30.651 1.00 27.70 H +ATOM 1608 HD23 LEU A 990 -14.506 -4.670 -29.108 1.00 27.70 H +ATOM 1609 N PRO A 991 -8.862 -4.368 -31.272 1.00 29.17 N +ATOM 1610 CA PRO A 991 -7.934 -4.390 -32.422 1.00 30.32 C +ATOM 1611 C PRO A 991 -7.982 -5.660 -33.292 1.00 37.04 C +ATOM 1612 O PRO A 991 -7.685 -5.568 -34.482 1.00 39.83 O +ATOM 1613 CB PRO A 991 -6.545 -4.175 -31.796 1.00 31.53 C +ATOM 1614 CG PRO A 991 -6.828 -3.468 -30.483 1.00 34.07 C +ATOM 1615 CD PRO A 991 -8.127 -4.120 -30.032 1.00 29.12 C +ATOM 1616 HA PRO A 991 -8.172 -3.530 -33.048 1.00 30.32 H +ATOM 1617 HB3 PRO A 991 -5.880 -3.597 -32.438 1.00 31.53 H +ATOM 1618 HB2 PRO A 991 -6.059 -5.130 -31.592 1.00 31.53 H +ATOM 1619 HG3 PRO A 991 -6.998 -2.407 -30.671 1.00 34.07 H +ATOM 1620 HG2 PRO A 991 -6.017 -3.559 -29.761 1.00 34.07 H +ATOM 1621 HD2 PRO A 991 -7.914 -5.074 -29.554 1.00 29.12 H +ATOM 1622 HD3 PRO A 991 -8.663 -3.490 -29.323 1.00 29.12 H +ATOM 1623 N ARG A 992 -8.364 -6.801 -32.693 1.00 33.12 N +ATOM 1624 CA ARG A 992 -8.473 -8.101 -33.362 1.00 35.22 C +ATOM 1625 C ARG A 992 -9.923 -8.477 -33.721 1.00 42.35 C +ATOM 1626 O ARG A 992 -10.101 -9.442 -34.464 1.00 43.35 O +ATOM 1627 CB ARG A 992 -7.847 -9.181 -32.452 1.00 36.79 C +ATOM 1628 CG ARG A 992 -6.321 -9.042 -32.266 1.00 49.00 C +ATOM 1629 CD ARG A 992 -5.895 -8.581 -30.862 1.00 65.39 C +ATOM 1630 NE ARG A 992 -4.429 -8.630 -30.709 1.00 83.52 N +ATOM 1631 CZ ARG A 992 -3.697 -8.245 -29.646 1.00101.34 C +ATOM 1632 NH1 ARG A 992 -4.252 -7.730 -28.539 1.00 87.97 N +ATOM 1633 NH2 ARG A 992 -2.366 -8.382 -29.694 1.00 90.05 N1+ +ATOM 1634 H ARG A 992 -8.610 -6.788 -31.713 1.00 33.12 H +ATOM 1635 HA ARG A 992 -7.920 -8.089 -34.303 1.00 35.22 H +ATOM 1636 HB3 ARG A 992 -8.028 -10.163 -32.891 1.00 36.79 H +ATOM 1637 HB2 ARG A 992 -8.353 -9.200 -31.486 1.00 36.79 H +ATOM 1638 HG3 ARG A 992 -5.962 -8.307 -32.988 1.00 49.00 H +ATOM 1639 HG2 ARG A 992 -5.815 -9.970 -32.534 1.00 49.00 H +ATOM 1640 HD3 ARG A 992 -6.407 -9.141 -30.079 1.00 65.39 H +ATOM 1641 HD2 ARG A 992 -6.177 -7.534 -30.743 1.00 65.39 H +ATOM 1642 HE ARG A 992 -3.934 -9.003 -31.505 1.00 83.52 H +ATOM 1643 HH12 ARG A 992 -3.684 -7.448 -27.753 1.00 87.97 H +ATOM 1644 HH11 ARG A 992 -5.259 -7.626 -28.485 1.00 87.97 H +ATOM 1645 HH22 ARG A 992 -1.795 -8.104 -28.909 1.00 90.05 H +ATOM 1646 HH21 ARG A 992 -1.920 -8.767 -30.514 1.00 90.05 H +ATOM 1647 N HIS A 993 -10.920 -7.742 -33.199 1.00 39.31 N +ATOM 1648 CA HIS A 993 -12.343 -8.029 -33.380 1.00 40.02 C +ATOM 1649 C HIS A 993 -13.064 -6.735 -33.771 1.00 44.39 C +ATOM 1650 O HIS A 993 -13.235 -5.856 -32.926 1.00 42.90 O +ATOM 1651 CB HIS A 993 -12.933 -8.636 -32.087 1.00 40.24 C +ATOM 1652 CG HIS A 993 -12.280 -9.913 -31.615 1.00 43.95 C +ATOM 1653 ND1 HIS A 993 -11.178 -9.921 -30.777 1.00 44.82 N +ATOM 1654 CD2 HIS A 993 -12.584 -11.239 -31.832 1.00 46.86 C +ATOM 1655 CE1 HIS A 993 -10.862 -11.196 -30.543 1.00 45.15 C +ATOM 1656 NE2 HIS A 993 -11.674 -12.053 -31.151 1.00 46.64 N +ATOM 1657 H HIS A 993 -10.700 -6.953 -32.607 1.00 39.31 H +ATOM 1658 HA HIS A 993 -12.488 -8.755 -34.182 1.00 40.02 H +ATOM 1659 HB3 HIS A 993 -13.998 -8.834 -32.223 1.00 40.24 H +ATOM 1660 HB2 HIS A 993 -12.864 -7.911 -31.275 1.00 40.24 H +ATOM 1661 HD1 HIS A 993 -10.706 -9.101 -30.417 1.00 44.82 H +ATOM 1662 HD2 HIS A 993 -13.381 -11.668 -32.421 1.00 46.86 H +ATOM 1663 HE1 HIS A 993 -10.035 -11.499 -29.918 1.00 45.15 H +ATOM 1664 N SER A 994 -13.470 -6.644 -35.048 1.00 43.61 N +ATOM 1665 CA SER A 994 -14.209 -5.516 -35.617 1.00 44.09 C +ATOM 1666 C SER A 994 -15.687 -5.527 -35.171 1.00 48.55 C +ATOM 1667 O SER A 994 -16.525 -6.165 -35.809 1.00 49.91 O +ATOM 1668 CB SER A 994 -14.007 -5.502 -37.150 1.00 50.40 C +ATOM 1669 OG SER A 994 -14.571 -6.626 -37.802 1.00 64.99 O +ATOM 1670 H SER A 994 -13.279 -7.408 -35.685 1.00 43.61 H +ATOM 1671 HA SER A 994 -13.757 -4.597 -35.238 1.00 44.09 H +ATOM 1672 HB3 SER A 994 -12.944 -5.455 -37.390 1.00 50.40 H +ATOM 1673 HB2 SER A 994 -14.458 -4.603 -37.573 1.00 50.40 H +ATOM 1674 HG SER A 994 -15.515 -6.632 -37.619 1.00 64.99 H +ATOM 1675 N ILE A 995 -15.965 -4.828 -34.059 1.00 42.04 N +ATOM 1676 CA ILE A 995 -17.296 -4.714 -33.464 1.00 40.91 C +ATOM 1677 C ILE A 995 -18.064 -3.520 -34.068 1.00 43.90 C +ATOM 1678 O ILE A 995 -17.480 -2.455 -34.267 1.00 43.46 O +ATOM 1679 CB ILE A 995 -17.192 -4.556 -31.916 1.00 42.36 C +ATOM 1680 CG1 ILE A 995 -16.536 -5.790 -31.248 1.00 42.65 C +ATOM 1681 CG2 ILE A 995 -18.529 -4.242 -31.218 1.00 41.71 C +ATOM 1682 CD1 ILE A 995 -17.228 -7.139 -31.513 1.00 43.19 C +ATOM 1683 H ILE A 995 -15.219 -4.349 -33.575 1.00 42.04 H +ATOM 1684 HA ILE A 995 -17.863 -5.619 -33.689 1.00 40.91 H +ATOM 1685 HB ILE A 995 -16.532 -3.711 -31.714 1.00 42.36 H +ATOM 1686 HG13 ILE A 995 -16.475 -5.629 -30.172 1.00 42.65 H +ATOM 1687 HG12 ILE A 995 -15.501 -5.868 -31.578 1.00 42.65 H +ATOM 1688 HG21 ILE A 995 -18.434 -4.276 -30.134 1.00 41.71 H +ATOM 1689 HG22 ILE A 995 -18.899 -3.250 -31.464 1.00 41.71 H +ATOM 1690 HG23 ILE A 995 -19.292 -4.958 -31.512 1.00 41.71 H +ATOM 1691 HD11 ILE A 995 -16.639 -7.748 -32.199 1.00 43.19 H +ATOM 1692 HD12 ILE A 995 -17.348 -7.704 -30.589 1.00 43.19 H +ATOM 1693 HD13 ILE A 995 -18.221 -7.025 -31.946 1.00 43.19 H +ATOM 1694 N GLY A 996 -19.363 -3.733 -34.347 1.00 39.60 N +ATOM 1695 CA GLY A 996 -20.252 -2.755 -34.979 1.00 39.64 C +ATOM 1696 C GLY A 996 -20.596 -1.588 -34.040 1.00 40.81 C +ATOM 1697 O GLY A 996 -20.520 -1.711 -32.818 1.00 40.20 O +ATOM 1698 H GLY A 996 -19.764 -4.635 -34.139 1.00 39.60 H +ATOM 1699 HA3 GLY A 996 -21.173 -3.256 -35.273 1.00 39.64 H +ATOM 1700 HA2 GLY A 996 -19.788 -2.377 -35.892 1.00 39.64 H +ATOM 1701 N LEU A 997 -20.997 -0.458 -34.647 1.00 36.29 N +ATOM 1702 CA LEU A 997 -21.277 0.836 -34.014 1.00 34.21 C +ATOM 1703 C LEU A 997 -22.273 0.785 -32.840 1.00 36.59 C +ATOM 1704 O LEU A 997 -21.980 1.361 -31.794 1.00 34.53 O +ATOM 1705 CB LEU A 997 -21.711 1.829 -35.121 1.00 34.53 C +ATOM 1706 CG LEU A 997 -22.124 3.249 -34.665 1.00 38.00 C +ATOM 1707 CD1 LEU A 997 -21.037 3.947 -33.824 1.00 36.32 C +ATOM 1708 CD2 LEU A 997 -22.558 4.106 -35.869 1.00 39.98 C +ATOM 1709 H LEU A 997 -21.051 -0.455 -35.657 1.00 36.29 H +ATOM 1710 HA LEU A 997 -20.326 1.179 -33.603 1.00 34.21 H +ATOM 1711 HB3 LEU A 997 -22.545 1.391 -35.671 1.00 34.53 H +ATOM 1712 HB2 LEU A 997 -20.897 1.921 -35.842 1.00 34.53 H +ATOM 1713 HG LEU A 997 -23.015 3.149 -34.047 1.00 38.00 H +ATOM 1714 HD11 LEU A 997 -20.949 5.005 -34.060 1.00 36.32 H +ATOM 1715 HD12 LEU A 997 -21.263 3.882 -32.760 1.00 36.32 H +ATOM 1716 HD13 LEU A 997 -20.056 3.499 -33.980 1.00 36.32 H +ATOM 1717 HD21 LEU A 997 -23.419 4.725 -35.614 1.00 39.98 H +ATOM 1718 HD22 LEU A 997 -21.763 4.769 -36.208 1.00 39.98 H +ATOM 1719 HD23 LEU A 997 -22.845 3.494 -36.724 1.00 39.98 H +ATOM 1720 N ALA A 998 -23.409 0.089 -33.016 1.00 34.25 N +ATOM 1721 CA ALA A 998 -24.444 -0.055 -31.989 1.00 34.26 C +ATOM 1722 C ALA A 998 -23.979 -0.830 -30.750 1.00 36.18 C +ATOM 1723 O ALA A 998 -24.385 -0.484 -29.643 1.00 35.22 O +ATOM 1724 CB ALA A 998 -25.666 -0.747 -32.595 1.00 36.52 C +ATOM 1725 H ALA A 998 -23.583 -0.370 -33.900 1.00 34.25 H +ATOM 1726 HA ALA A 998 -24.741 0.949 -31.677 1.00 34.26 H +ATOM 1727 HB1 ALA A 998 -26.532 -0.659 -31.938 1.00 36.52 H +ATOM 1728 HB2 ALA A 998 -25.920 -0.291 -33.546 1.00 36.52 H +ATOM 1729 HB3 ALA A 998 -25.492 -1.807 -32.778 1.00 36.52 H +ATOM 1730 N GLN A 999 -23.130 -1.847 -30.960 1.00 32.90 N +ATOM 1731 CA GLN A 999 -22.559 -2.689 -29.914 1.00 31.66 C +ATOM 1732 C GLN A 999 -21.446 -1.975 -29.116 1.00 31.83 C +ATOM 1733 O GLN A 999 -21.293 -2.274 -27.934 1.00 31.42 O +ATOM 1734 CB GLN A 999 -22.134 -4.016 -30.571 1.00 33.78 C +ATOM 1735 CG GLN A 999 -21.621 -5.106 -29.611 1.00 53.37 C +ATOM 1736 CD GLN A 999 -21.398 -6.443 -30.329 1.00 79.04 C +ATOM 1737 OE1 GLN A 999 -22.211 -6.864 -31.150 1.00 77.41 O +ATOM 1738 NE2 GLN A 999 -20.304 -7.132 -30.005 1.00 70.04 N +ATOM 1739 H GLN A 999 -22.847 -2.066 -31.906 1.00 32.90 H +ATOM 1740 HA GLN A 999 -23.358 -2.921 -29.208 1.00 31.66 H +ATOM 1741 HB3 GLN A 999 -21.389 -3.822 -31.342 1.00 33.78 H +ATOM 1742 HB2 GLN A 999 -23.006 -4.407 -31.098 1.00 33.78 H +ATOM 1743 HG3 GLN A 999 -22.345 -5.266 -28.811 1.00 53.37 H +ATOM 1744 HG2 GLN A 999 -20.695 -4.784 -29.133 1.00 53.37 H +ATOM 1745 HE22 GLN A 999 -20.123 -8.026 -30.439 1.00 70.04 H +ATOM 1746 HE21 GLN A 999 -19.667 -6.780 -29.305 1.00 70.04 H +ATOM 1747 N LEU A1000 -20.751 -0.997 -29.732 1.00 27.73 N +ATOM 1748 CA LEU A1000 -19.837 -0.069 -29.050 1.00 27.15 C +ATOM 1749 C LEU A1000 -20.595 0.953 -28.181 1.00 30.03 C +ATOM 1750 O LEU A1000 -20.124 1.276 -27.092 1.00 28.40 O +ATOM 1751 CB LEU A1000 -18.945 0.674 -30.074 1.00 27.39 C +ATOM 1752 CG LEU A1000 -17.991 -0.227 -30.886 1.00 31.72 C +ATOM 1753 CD1 LEU A1000 -17.371 0.546 -32.070 1.00 31.24 C +ATOM 1754 CD2 LEU A1000 -16.934 -0.917 -29.997 1.00 32.46 C +ATOM 1755 H LEU A1000 -20.916 -0.817 -30.713 1.00 27.73 H +ATOM 1756 HA LEU A1000 -19.200 -0.650 -28.383 1.00 27.15 H +ATOM 1757 HB3 LEU A1000 -18.351 1.434 -29.562 1.00 27.39 H +ATOM 1758 HB2 LEU A1000 -19.586 1.222 -30.765 1.00 27.39 H +ATOM 1759 HG LEU A1000 -18.585 -1.019 -31.332 1.00 31.72 H +ATOM 1760 HD11 LEU A1000 -16.292 0.426 -32.140 1.00 31.24 H +ATOM 1761 HD12 LEU A1000 -17.786 0.194 -33.015 1.00 31.24 H +ATOM 1762 HD13 LEU A1000 -17.569 1.617 -32.011 1.00 31.24 H +ATOM 1763 HD21 LEU A1000 -15.920 -0.822 -30.385 1.00 32.46 H +ATOM 1764 HD22 LEU A1000 -16.925 -0.518 -28.983 1.00 32.46 H +ATOM 1765 HD23 LEU A1000 -17.146 -1.982 -29.914 1.00 32.46 H +ATOM 1766 N LEU A1001 -21.763 1.420 -28.659 1.00 27.18 N +ATOM 1767 CA LEU A1001 -22.668 2.317 -27.931 1.00 26.38 C +ATOM 1768 C LEU A1001 -23.415 1.608 -26.786 1.00 30.80 C +ATOM 1769 O LEU A1001 -23.803 2.280 -25.831 1.00 31.19 O +ATOM 1770 CB LEU A1001 -23.664 2.964 -28.916 1.00 26.55 C +ATOM 1771 CG LEU A1001 -23.009 3.940 -29.919 1.00 30.43 C +ATOM 1772 CD1 LEU A1001 -23.960 4.224 -31.098 1.00 31.54 C +ATOM 1773 CD2 LEU A1001 -22.500 5.228 -29.235 1.00 29.53 C +ATOM 1774 H LEU A1001 -22.074 1.125 -29.576 1.00 27.18 H +ATOM 1775 HA LEU A1001 -22.066 3.104 -27.475 1.00 26.38 H +ATOM 1776 HB3 LEU A1001 -24.448 3.493 -28.371 1.00 26.55 H +ATOM 1777 HB2 LEU A1001 -24.174 2.171 -29.464 1.00 26.55 H +ATOM 1778 HG LEU A1001 -22.132 3.458 -30.347 1.00 30.43 H +ATOM 1779 HD11 LEU A1001 -23.986 5.276 -31.382 1.00 31.54 H +ATOM 1780 HD12 LEU A1001 -23.649 3.668 -31.980 1.00 31.54 H +ATOM 1781 HD13 LEU A1001 -24.984 3.918 -30.880 1.00 31.54 H +ATOM 1782 HD21 LEU A1001 -22.846 6.137 -29.725 1.00 29.53 H +ATOM 1783 HD22 LEU A1001 -22.816 5.291 -28.193 1.00 29.53 H +ATOM 1784 HD23 LEU A1001 -21.410 5.261 -29.241 1.00 29.53 H +ATOM 1785 N LEU A1002 -23.566 0.274 -26.876 1.00 28.48 N +ATOM 1786 CA LEU A1002 -24.071 -0.573 -25.798 1.00 29.15 C +ATOM 1787 C LEU A1002 -23.034 -0.720 -24.674 1.00 32.78 C +ATOM 1788 O LEU A1002 -23.419 -0.645 -23.512 1.00 33.09 O +ATOM 1789 CB LEU A1002 -24.495 -1.945 -26.361 1.00 30.13 C +ATOM 1790 CG LEU A1002 -25.243 -2.859 -25.364 1.00 35.32 C +ATOM 1791 CD1 LEU A1002 -26.559 -2.231 -24.853 1.00 35.94 C +ATOM 1792 CD2 LEU A1002 -25.461 -4.257 -25.970 1.00 37.39 C +ATOM 1793 H LEU A1002 -23.251 -0.204 -27.709 1.00 28.48 H +ATOM 1794 HA LEU A1002 -24.950 -0.077 -25.383 1.00 29.15 H +ATOM 1795 HB3 LEU A1002 -23.607 -2.464 -26.722 1.00 30.13 H +ATOM 1796 HB2 LEU A1002 -25.123 -1.797 -27.238 1.00 30.13 H +ATOM 1797 HG LEU A1002 -24.597 -3.010 -24.498 1.00 35.32 H +ATOM 1798 HD11 LEU A1002 -27.382 -2.945 -24.829 1.00 35.94 H +ATOM 1799 HD12 LEU A1002 -26.434 -1.855 -23.837 1.00 35.94 H +ATOM 1800 HD13 LEU A1002 -26.882 -1.394 -25.473 1.00 35.94 H +ATOM 1801 HD21 LEU A1002 -25.178 -5.038 -25.263 1.00 37.39 H +ATOM 1802 HD22 LEU A1002 -26.499 -4.429 -26.254 1.00 37.39 H +ATOM 1803 HD23 LEU A1002 -24.861 -4.403 -26.868 1.00 37.39 H +ATOM 1804 N PHE A1003 -21.743 -0.871 -25.023 1.00 28.23 N +ATOM 1805 CA PHE A1003 -20.641 -0.882 -24.054 1.00 28.18 C +ATOM 1806 C PHE A1003 -20.492 0.469 -23.336 1.00 29.97 C +ATOM 1807 O PHE A1003 -20.248 0.473 -22.133 1.00 28.15 O +ATOM 1808 CB PHE A1003 -19.312 -1.272 -24.735 1.00 29.26 C +ATOM 1809 CG PHE A1003 -19.273 -2.605 -25.466 1.00 30.64 C +ATOM 1810 CD1 PHE A1003 -20.024 -3.718 -25.024 1.00 35.83 C +ATOM 1811 CD2 PHE A1003 -18.349 -2.783 -26.518 1.00 32.41 C +ATOM 1812 CE1 PHE A1003 -19.919 -4.932 -25.687 1.00 37.36 C +ATOM 1813 CE2 PHE A1003 -18.254 -4.007 -27.165 1.00 35.63 C +ATOM 1814 CZ PHE A1003 -19.051 -5.071 -26.763 1.00 35.58 C +ATOM 1815 H PHE A1003 -21.488 -0.949 -25.998 1.00 28.23 H +ATOM 1816 HA PHE A1003 -20.872 -1.624 -23.287 1.00 28.18 H +ATOM 1817 HB3 PHE A1003 -18.513 -1.280 -23.993 1.00 29.26 H +ATOM 1818 HB2 PHE A1003 -19.040 -0.498 -25.453 1.00 29.26 H +ATOM 1819 HD1 PHE A1003 -20.697 -3.642 -24.184 1.00 35.83 H +ATOM 1820 HD2 PHE A1003 -17.720 -1.964 -26.835 1.00 32.41 H +ATOM 1821 HE1 PHE A1003 -20.509 -5.774 -25.354 1.00 37.36 H +ATOM 1822 HE2 PHE A1003 -17.555 -4.132 -27.978 1.00 35.63 H +ATOM 1823 HZ PHE A1003 -18.975 -6.020 -27.272 1.00 35.58 H +ATOM 1824 N ALA A1004 -20.705 1.578 -24.067 1.00 26.49 N +ATOM 1825 CA ALA A1004 -20.726 2.944 -23.542 1.00 26.36 C +ATOM 1826 C ALA A1004 -21.860 3.187 -22.532 1.00 28.13 C +ATOM 1827 O ALA A1004 -21.618 3.810 -21.500 1.00 27.39 O +ATOM 1828 CB ALA A1004 -20.837 3.926 -24.715 1.00 27.23 C +ATOM 1829 H ALA A1004 -20.890 1.484 -25.057 1.00 26.49 H +ATOM 1830 HA ALA A1004 -19.773 3.115 -23.041 1.00 26.36 H +ATOM 1831 HB1 ALA A1004 -20.637 4.947 -24.390 1.00 27.23 H +ATOM 1832 HB2 ALA A1004 -20.122 3.678 -25.500 1.00 27.23 H +ATOM 1833 HB3 ALA A1004 -21.829 3.918 -25.164 1.00 27.23 H +ATOM 1834 N GLN A1005 -23.060 2.661 -22.839 1.00 24.98 N +ATOM 1835 CA GLN A1005 -24.241 2.670 -21.976 1.00 26.13 C +ATOM 1836 C GLN A1005 -24.005 1.880 -20.676 1.00 30.14 C +ATOM 1837 O GLN A1005 -24.287 2.400 -19.601 1.00 29.23 O +ATOM 1838 CB GLN A1005 -25.433 2.097 -22.770 1.00 27.37 C +ATOM 1839 CG GLN A1005 -26.787 2.123 -22.034 1.00 34.59 C +ATOM 1840 CD GLN A1005 -27.753 1.102 -22.634 1.00 45.52 C +ATOM 1841 OE1 GLN A1005 -28.014 1.121 -23.835 1.00 37.97 O +ATOM 1842 NE2 GLN A1005 -28.296 0.216 -21.798 1.00 40.39 N +ATOM 1843 H GLN A1005 -23.170 2.180 -23.722 1.00 24.98 H +ATOM 1844 HA GLN A1005 -24.463 3.706 -21.713 1.00 26.13 H +ATOM 1845 HB3 GLN A1005 -25.200 1.069 -23.046 1.00 27.37 H +ATOM 1846 HB2 GLN A1005 -25.542 2.624 -23.717 1.00 27.37 H +ATOM 1847 HG3 GLN A1005 -27.223 3.120 -22.095 1.00 34.59 H +ATOM 1848 HG2 GLN A1005 -26.674 1.906 -20.973 1.00 34.59 H +ATOM 1849 HE22 GLN A1005 -28.941 -0.481 -22.142 1.00 40.39 H +ATOM 1850 HE21 GLN A1005 -28.027 0.204 -20.821 1.00 40.39 H +ATOM 1851 N GLN A1006 -23.477 0.652 -20.811 1.00 27.56 N +ATOM 1852 CA GLN A1006 -23.173 -0.270 -19.716 1.00 27.14 C +ATOM 1853 C GLN A1006 -22.072 0.236 -18.768 1.00 28.50 C +ATOM 1854 O GLN A1006 -22.194 0.035 -17.560 1.00 29.35 O +ATOM 1855 CB GLN A1006 -22.838 -1.652 -20.304 1.00 28.20 C +ATOM 1856 CG GLN A1006 -24.071 -2.360 -20.908 1.00 30.44 C +ATOM 1857 CD GLN A1006 -23.732 -3.689 -21.587 1.00 43.69 C +ATOM 1858 OE1 GLN A1006 -22.570 -4.021 -21.806 1.00 40.01 O +ATOM 1859 NE2 GLN A1006 -24.762 -4.459 -21.939 1.00 39.19 N +ATOM 1860 H GLN A1006 -23.289 0.300 -21.741 1.00 27.56 H +ATOM 1861 HA GLN A1006 -24.079 -0.372 -19.117 1.00 27.14 H +ATOM 1862 HB3 GLN A1006 -22.408 -2.289 -19.530 1.00 28.20 H +ATOM 1863 HB2 GLN A1006 -22.063 -1.537 -21.063 1.00 28.20 H +ATOM 1864 HG3 GLN A1006 -24.572 -1.725 -21.635 1.00 30.44 H +ATOM 1865 HG2 GLN A1006 -24.815 -2.535 -20.135 1.00 30.44 H +ATOM 1866 HE22 GLN A1006 -24.602 -5.353 -22.387 1.00 39.19 H +ATOM 1867 HE21 GLN A1006 -25.716 -4.155 -21.777 1.00 39.19 H +ATOM 1868 N ILE A1007 -21.062 0.943 -19.312 1.00 24.53 N +ATOM 1869 CA ILE A1007 -20.069 1.692 -18.536 1.00 23.52 C +ATOM 1870 C ILE A1007 -20.727 2.816 -17.713 1.00 26.94 C +ATOM 1871 O ILE A1007 -20.405 2.941 -16.536 1.00 25.88 O +ATOM 1872 CB ILE A1007 -18.931 2.286 -19.427 1.00 26.23 C +ATOM 1873 CG1 ILE A1007 -18.024 1.167 -19.988 1.00 26.44 C +ATOM 1874 CG2 ILE A1007 -18.040 3.356 -18.749 1.00 26.63 C +ATOM 1875 CD1 ILE A1007 -17.291 1.555 -21.285 1.00 29.19 C +ATOM 1876 H ILE A1007 -21.013 1.046 -20.317 1.00 24.53 H +ATOM 1877 HA ILE A1007 -19.614 0.992 -17.831 1.00 23.52 H +ATOM 1878 HB ILE A1007 -19.417 2.769 -20.276 1.00 26.23 H +ATOM 1879 HG13 ILE A1007 -18.608 0.270 -20.180 1.00 26.44 H +ATOM 1880 HG12 ILE A1007 -17.298 0.870 -19.230 1.00 26.44 H +ATOM 1881 HG21 ILE A1007 -17.216 3.653 -19.397 1.00 26.63 H +ATOM 1882 HG22 ILE A1007 -18.590 4.267 -18.511 1.00 26.63 H +ATOM 1883 HG23 ILE A1007 -17.606 2.974 -17.825 1.00 26.63 H +ATOM 1884 HD11 ILE A1007 -17.143 0.685 -21.925 1.00 29.19 H +ATOM 1885 HD12 ILE A1007 -17.847 2.290 -21.866 1.00 29.19 H +ATOM 1886 HD13 ILE A1007 -16.313 1.980 -21.071 1.00 29.19 H +ATOM 1887 N CYS A1008 -21.665 3.570 -18.316 1.00 24.96 N +ATOM 1888 CA CYS A1008 -22.405 4.643 -17.644 1.00 26.23 C +ATOM 1889 C CYS A1008 -23.328 4.144 -16.518 1.00 28.78 C +ATOM 1890 O CYS A1008 -23.468 4.853 -15.526 1.00 27.82 O +ATOM 1891 CB CYS A1008 -23.199 5.533 -18.619 1.00 27.44 C +ATOM 1892 SG CYS A1008 -22.060 6.457 -19.678 1.00 31.30 S +ATOM 1893 H CYS A1008 -21.894 3.406 -19.288 1.00 24.96 H +ATOM 1894 HA CYS A1008 -21.653 5.263 -17.158 1.00 26.23 H +ATOM 1895 HB3 CYS A1008 -23.802 6.261 -18.076 1.00 27.44 H +ATOM 1896 HB2 CYS A1008 -23.879 4.950 -19.240 1.00 27.44 H +ATOM 1897 HG CYS A1008 -21.658 5.407 -20.404 1.00 31.30 H +ATOM 1898 N GLU A1009 -23.905 2.938 -16.664 1.00 27.13 N +ATOM 1899 CA GLU A1009 -24.712 2.274 -15.636 1.00 27.79 C +ATOM 1900 C GLU A1009 -23.884 1.789 -14.430 1.00 31.65 C +ATOM 1901 O GLU A1009 -24.361 1.902 -13.301 1.00 32.67 O +ATOM 1902 CB GLU A1009 -25.530 1.130 -16.269 1.00 29.33 C +ATOM 1903 CG GLU A1009 -26.650 1.632 -17.202 1.00 35.16 C +ATOM 1904 CD GLU A1009 -27.432 0.501 -17.874 1.00 58.21 C +ATOM 1905 OE1 GLU A1009 -26.942 -0.003 -18.909 1.00 48.70 O +ATOM 1906 OE2 GLU A1009 -28.529 0.175 -17.369 1.00 60.77 O1- +ATOM 1907 H GLU A1009 -23.769 2.425 -17.524 1.00 27.13 H +ATOM 1908 HA GLU A1009 -25.420 3.006 -15.244 1.00 27.79 H +ATOM 1909 HB3 GLU A1009 -25.961 0.497 -15.492 1.00 29.33 H +ATOM 1910 HB2 GLU A1009 -24.857 0.492 -16.843 1.00 29.33 H +ATOM 1911 HG3 GLU A1009 -26.235 2.264 -17.984 1.00 35.16 H +ATOM 1912 HG2 GLU A1009 -27.341 2.262 -16.641 1.00 35.16 H +ATOM 1913 N GLY A1010 -22.657 1.295 -14.679 1.00 27.84 N +ATOM 1914 CA GLY A1010 -21.732 0.852 -13.634 1.00 27.29 C +ATOM 1915 C GLY A1010 -21.077 2.043 -12.915 1.00 30.56 C +ATOM 1916 O GLY A1010 -20.854 1.969 -11.707 1.00 30.70 O +ATOM 1917 H GLY A1010 -22.337 1.226 -15.636 1.00 27.84 H +ATOM 1918 HA3 GLY A1010 -20.956 0.239 -14.093 1.00 27.29 H +ATOM 1919 HA2 GLY A1010 -22.247 0.220 -12.909 1.00 27.29 H +ATOM 1920 N MET A1011 -20.798 3.140 -13.643 1.00 27.80 N +ATOM 1921 CA MET A1011 -20.230 4.381 -13.113 1.00 26.42 C +ATOM 1922 C MET A1011 -21.251 5.243 -12.348 1.00 31.30 C +ATOM 1923 O MET A1011 -20.854 5.901 -11.387 1.00 31.07 O +ATOM 1924 CB MET A1011 -19.591 5.196 -14.253 1.00 27.40 C +ATOM 1925 CG MET A1011 -18.266 4.634 -14.804 1.00 29.13 C +ATOM 1926 SD MET A1011 -16.888 4.453 -13.634 1.00 32.16 S +ATOM 1927 CE MET A1011 -16.919 6.084 -12.860 1.00 29.76 C +ATOM 1928 H MET A1011 -20.981 3.129 -14.638 1.00 27.80 H +ATOM 1929 HA MET A1011 -19.451 4.119 -12.397 1.00 26.42 H +ATOM 1930 HB3 MET A1011 -19.416 6.218 -13.918 1.00 27.40 H +ATOM 1931 HB2 MET A1011 -20.304 5.291 -15.073 1.00 27.40 H +ATOM 1932 HG3 MET A1011 -17.929 5.278 -15.615 1.00 29.13 H +ATOM 1933 HG2 MET A1011 -18.424 3.657 -15.250 1.00 29.13 H +ATOM 1934 HE1 MET A1011 -15.990 6.273 -12.328 1.00 29.76 H +ATOM 1935 HE2 MET A1011 -17.055 6.852 -13.618 1.00 29.76 H +ATOM 1936 HE3 MET A1011 -17.742 6.148 -12.148 1.00 29.76 H +ATOM 1937 N ALA A1012 -22.535 5.211 -12.749 1.00 27.75 N +ATOM 1938 CA ALA A1012 -23.634 5.849 -12.016 1.00 28.69 C +ATOM 1939 C ALA A1012 -23.888 5.180 -10.659 1.00 34.11 C +ATOM 1940 O ALA A1012 -24.101 5.891 -9.678 1.00 34.50 O +ATOM 1941 CB ALA A1012 -24.917 5.843 -12.856 1.00 29.26 C +ATOM 1942 H ALA A1012 -22.793 4.685 -13.573 1.00 27.75 H +ATOM 1943 HA ALA A1012 -23.360 6.890 -11.829 1.00 28.69 H +ATOM 1944 HB1 ALA A1012 -25.767 6.222 -12.287 1.00 29.26 H +ATOM 1945 HB2 ALA A1012 -24.815 6.478 -13.734 1.00 29.26 H +ATOM 1946 HB3 ALA A1012 -25.167 4.837 -13.194 1.00 29.26 H +ATOM 1947 N TYR A1013 -23.802 3.837 -10.621 1.00 31.58 N +ATOM 1948 CA TYR A1013 -23.833 3.052 -9.389 1.00 32.97 C +ATOM 1949 C TYR A1013 -22.647 3.367 -8.458 1.00 36.19 C +ATOM 1950 O TYR A1013 -22.873 3.547 -7.265 1.00 37.27 O +ATOM 1951 CB TYR A1013 -23.952 1.546 -9.717 1.00 34.46 C +ATOM 1952 CG TYR A1013 -23.724 0.624 -8.528 1.00 37.28 C +ATOM 1953 CD1 TYR A1013 -24.733 0.447 -7.560 1.00 41.29 C +ATOM 1954 CD2 TYR A1013 -22.475 -0.004 -8.357 1.00 37.10 C +ATOM 1955 CE1 TYR A1013 -24.484 -0.335 -6.415 1.00 41.87 C +ATOM 1956 CE2 TYR A1013 -22.228 -0.795 -7.220 1.00 38.57 C +ATOM 1957 CZ TYR A1013 -23.227 -0.947 -6.240 1.00 45.11 C +ATOM 1958 OH TYR A1013 -22.971 -1.682 -5.119 1.00 46.37 O +ATOM 1959 H TYR A1013 -23.632 3.324 -11.475 1.00 31.58 H +ATOM 1960 HA TYR A1013 -24.744 3.336 -8.858 1.00 32.97 H +ATOM 1961 HB3 TYR A1013 -23.229 1.281 -10.489 1.00 34.46 H +ATOM 1962 HB2 TYR A1013 -24.932 1.339 -10.149 1.00 34.46 H +ATOM 1963 HD1 TYR A1013 -25.691 0.933 -7.679 1.00 41.29 H +ATOM 1964 HD2 TYR A1013 -21.699 0.134 -9.093 1.00 37.10 H +ATOM 1965 HE1 TYR A1013 -25.254 -0.453 -5.668 1.00 41.87 H +ATOM 1966 HE2 TYR A1013 -21.271 -1.279 -7.103 1.00 38.57 H +ATOM 1967 HH TYR A1013 -23.715 -1.718 -4.512 1.00 46.37 H +ATOM 1968 N LEU A1014 -21.426 3.458 -9.016 1.00 29.93 N +ATOM 1969 CA LEU A1014 -20.195 3.785 -8.288 1.00 29.88 C +ATOM 1970 C LEU A1014 -20.270 5.149 -7.570 1.00 33.60 C +ATOM 1971 O LEU A1014 -19.846 5.249 -6.419 1.00 34.49 O +ATOM 1972 CB LEU A1014 -19.001 3.715 -9.269 1.00 29.28 C +ATOM 1973 CG LEU A1014 -17.604 3.885 -8.634 1.00 33.67 C +ATOM 1974 CD1 LEU A1014 -17.247 2.688 -7.739 1.00 34.68 C +ATOM 1975 CD2 LEU A1014 -16.526 4.121 -9.705 1.00 34.91 C +ATOM 1976 H LEU A1014 -21.321 3.285 -10.007 1.00 29.93 H +ATOM 1977 HA LEU A1014 -20.068 3.014 -7.526 1.00 29.88 H +ATOM 1978 HB3 LEU A1014 -19.131 4.492 -10.023 1.00 29.28 H +ATOM 1979 HB2 LEU A1014 -19.028 2.770 -9.814 1.00 29.28 H +ATOM 1980 HG LEU A1014 -17.600 4.778 -8.012 1.00 33.67 H +ATOM 1981 HD11 LEU A1014 -16.188 2.679 -7.476 1.00 34.68 H +ATOM 1982 HD12 LEU A1014 -17.808 2.711 -6.806 1.00 34.68 H +ATOM 1983 HD13 LEU A1014 -17.477 1.744 -8.233 1.00 34.68 H +ATOM 1984 HD21 LEU A1014 -15.644 3.497 -9.557 1.00 34.91 H +ATOM 1985 HD22 LEU A1014 -16.898 3.915 -10.707 1.00 34.91 H +ATOM 1986 HD23 LEU A1014 -16.193 5.159 -9.688 1.00 34.91 H +ATOM 1987 N HIS A1015 -20.849 6.150 -8.253 1.00 30.39 N +ATOM 1988 CA HIS A1015 -21.057 7.508 -7.748 1.00 30.40 C +ATOM 1989 C HIS A1015 -22.203 7.615 -6.730 1.00 37.10 C +ATOM 1990 O HIS A1015 -22.134 8.480 -5.858 1.00 37.94 O +ATOM 1991 CB HIS A1015 -21.294 8.459 -8.934 1.00 29.83 C +ATOM 1992 CG HIS A1015 -20.101 8.684 -9.828 1.00 31.72 C +ATOM 1993 ND1 HIS A1015 -20.082 9.715 -10.769 1.00 32.83 N +ATOM 1994 CD2 HIS A1015 -18.898 8.007 -9.891 1.00 32.40 C +ATOM 1995 CE1 HIS A1015 -18.890 9.629 -11.339 1.00 31.99 C +ATOM 1996 NE2 HIS A1015 -18.143 8.644 -10.852 1.00 31.94 N +ATOM 1997 H HIS A1015 -21.169 5.978 -9.197 1.00 30.39 H +ATOM 1998 HA HIS A1015 -20.152 7.828 -7.229 1.00 30.40 H +ATOM 1999 HB3 HIS A1015 -21.608 9.438 -8.569 1.00 29.83 H +ATOM 2000 HB2 HIS A1015 -22.112 8.089 -9.554 1.00 29.83 H +ATOM 2001 HD2 HIS A1015 -18.524 7.155 -9.345 1.00 32.40 H +ATOM 2002 HE1 HIS A1015 -18.573 10.275 -12.138 1.00 31.99 H +ATOM 2003 HE2 HIS A1015 -17.190 8.424 -11.119 1.00 31.94 H +ATOM 2004 N ALA A1016 -23.211 6.730 -6.834 1.00 34.33 N +ATOM 2005 CA ALA A1016 -24.292 6.585 -5.856 1.00 35.70 C +ATOM 2006 C ALA A1016 -23.821 5.922 -4.546 1.00 40.39 C +ATOM 2007 O ALA A1016 -24.360 6.244 -3.489 1.00 42.00 O +ATOM 2008 CB ALA A1016 -25.451 5.800 -6.489 1.00 36.70 C +ATOM 2009 H ALA A1016 -23.210 6.064 -7.594 1.00 34.33 H +ATOM 2010 HA ALA A1016 -24.662 7.581 -5.608 1.00 35.70 H +ATOM 2011 HB1 ALA A1016 -26.291 5.712 -5.799 1.00 36.70 H +ATOM 2012 HB2 ALA A1016 -25.818 6.300 -7.386 1.00 36.70 H +ATOM 2013 HB3 ALA A1016 -25.152 4.791 -6.772 1.00 36.70 H +ATOM 2014 N GLN A1017 -22.787 5.064 -4.635 1.00 37.13 N +ATOM 2015 CA GLN A1017 -22.036 4.512 -3.502 1.00 37.34 C +ATOM 2016 C GLN A1017 -20.962 5.483 -2.955 1.00 40.83 C +ATOM 2017 O GLN A1017 -20.257 5.120 -2.013 1.00 41.85 O +ATOM 2018 CB GLN A1017 -21.413 3.155 -3.915 1.00 37.57 C +ATOM 2019 CG GLN A1017 -22.410 2.027 -4.261 1.00 50.69 C +ATOM 2020 CD GLN A1017 -23.428 1.735 -3.159 1.00 63.42 C +ATOM 2021 OE1 GLN A1017 -23.055 1.428 -2.030 1.00 61.45 O +ATOM 2022 NE2 GLN A1017 -24.719 1.815 -3.487 1.00 53.50 N +ATOM 2023 H GLN A1017 -22.426 4.834 -5.551 1.00 37.13 H +ATOM 2024 HA GLN A1017 -22.727 4.347 -2.674 1.00 37.34 H +ATOM 2025 HB3 GLN A1017 -20.770 2.791 -3.113 1.00 37.57 H +ATOM 2026 HB2 GLN A1017 -20.758 3.304 -4.773 1.00 37.57 H +ATOM 2027 HG3 GLN A1017 -21.859 1.109 -4.466 1.00 50.69 H +ATOM 2028 HG2 GLN A1017 -22.944 2.264 -5.177 1.00 50.69 H +ATOM 2029 HE22 GLN A1017 -25.427 1.631 -2.791 1.00 53.50 H +ATOM 2030 HE21 GLN A1017 -24.995 2.075 -4.422 1.00 53.50 H +ATOM 2031 N HIS A1018 -20.868 6.694 -3.535 1.00 43.65 N +ATOM 2032 CA HIS A1018 -19.987 7.804 -3.159 1.00 42.72 C +ATOM 2033 C HIS A1018 -18.485 7.544 -3.385 1.00 42.39 C +ATOM 2034 O HIS A1018 -17.658 8.063 -2.636 1.00 42.28 O +ATOM 2035 CB HIS A1018 -20.325 8.353 -1.751 1.00 46.64 C +ATOM 2036 CG HIS A1018 -21.690 8.984 -1.654 1.00 52.37 C +ATOM 2037 ND1 HIS A1018 -21.945 10.278 -2.076 1.00 54.35 N +ATOM 2038 CD2 HIS A1018 -22.888 8.509 -1.166 1.00 56.51 C +ATOM 2039 CE1 HIS A1018 -23.236 10.521 -1.839 1.00 55.92 C +ATOM 2040 NE2 HIS A1018 -23.871 9.493 -1.289 1.00 57.64 N +ATOM 2041 H HIS A1018 -21.499 6.901 -4.297 1.00 43.65 H +ATOM 2042 HA HIS A1018 -20.228 8.589 -3.873 1.00 42.72 H +ATOM 2043 HB3 HIS A1018 -19.613 9.122 -1.457 1.00 46.64 H +ATOM 2044 HB2 HIS A1018 -20.245 7.572 -0.994 1.00 46.64 H +ATOM 2045 HD1 HIS A1018 -21.281 10.930 -2.475 1.00 54.35 H +ATOM 2046 HD2 HIS A1018 -23.116 7.542 -0.744 1.00 56.51 H +ATOM 2047 HE1 HIS A1018 -23.715 11.462 -2.067 1.00 55.92 H +ATOM 2048 N TYR A1019 -18.162 6.786 -4.443 1.00 35.47 N +ATOM 2049 CA TYR A1019 -16.796 6.540 -4.899 1.00 33.30 C +ATOM 2050 C TYR A1019 -16.560 7.203 -6.265 1.00 34.14 C +ATOM 2051 O TYR A1019 -17.489 7.334 -7.060 1.00 33.14 O +ATOM 2052 CB TYR A1019 -16.557 5.022 -5.022 1.00 34.28 C +ATOM 2053 CG TYR A1019 -16.661 4.215 -3.739 1.00 38.78 C +ATOM 2054 CD1 TYR A1019 -15.668 4.330 -2.746 1.00 41.85 C +ATOM 2055 CD2 TYR A1019 -17.732 3.318 -3.549 1.00 40.74 C +ATOM 2056 CE1 TYR A1019 -15.753 3.568 -1.566 1.00 44.99 C +ATOM 2057 CE2 TYR A1019 -17.808 2.539 -2.378 1.00 43.80 C +ATOM 2058 CZ TYR A1019 -16.817 2.663 -1.385 1.00 51.67 C +ATOM 2059 OH TYR A1019 -16.885 1.906 -0.251 1.00 54.79 O +ATOM 2060 H TYR A1019 -18.894 6.392 -5.020 1.00 35.47 H +ATOM 2061 HA TYR A1019 -16.081 6.951 -4.188 1.00 33.30 H +ATOM 2062 HB3 TYR A1019 -15.565 4.835 -5.438 1.00 34.28 H +ATOM 2063 HB2 TYR A1019 -17.263 4.613 -5.740 1.00 34.28 H +ATOM 2064 HD1 TYR A1019 -14.835 4.996 -2.893 1.00 41.85 H +ATOM 2065 HD2 TYR A1019 -18.492 3.220 -4.308 1.00 40.74 H +ATOM 2066 HE1 TYR A1019 -14.987 3.663 -0.812 1.00 44.99 H +ATOM 2067 HE2 TYR A1019 -18.625 1.845 -2.245 1.00 43.80 H +ATOM 2068 HH TYR A1019 -16.158 2.067 0.354 1.00 54.79 H +ATOM 2069 N ILE A1020 -15.289 7.536 -6.521 1.00 29.77 N +ATOM 2070 CA ILE A1020 -14.732 7.899 -7.826 1.00 28.07 C +ATOM 2071 C ILE A1020 -13.745 6.798 -8.262 1.00 32.77 C +ATOM 2072 O ILE A1020 -13.145 6.156 -7.399 1.00 34.18 O +ATOM 2073 CB ILE A1020 -13.975 9.261 -7.762 1.00 30.74 C +ATOM 2074 CG1 ILE A1020 -12.981 9.361 -6.573 1.00 31.83 C +ATOM 2075 CG2 ILE A1020 -14.990 10.419 -7.776 1.00 31.74 C +ATOM 2076 CD1 ILE A1020 -12.103 10.614 -6.545 1.00 34.37 C +ATOM 2077 H ILE A1020 -14.600 7.396 -5.793 1.00 29.77 H +ATOM 2078 HA ILE A1020 -15.529 7.954 -8.569 1.00 28.07 H +ATOM 2079 HB ILE A1020 -13.387 9.362 -8.676 1.00 30.74 H +ATOM 2080 HG13 ILE A1020 -12.317 8.498 -6.563 1.00 31.83 H +ATOM 2081 HG12 ILE A1020 -13.528 9.323 -5.635 1.00 31.83 H +ATOM 2082 HG21 ILE A1020 -14.504 11.393 -7.804 1.00 31.74 H +ATOM 2083 HG22 ILE A1020 -15.631 10.362 -8.656 1.00 31.74 H +ATOM 2084 HG23 ILE A1020 -15.638 10.391 -6.901 1.00 31.74 H +ATOM 2085 HD11 ILE A1020 -11.396 10.561 -5.718 1.00 34.37 H +ATOM 2086 HD12 ILE A1020 -11.523 10.701 -7.459 1.00 34.37 H +ATOM 2087 HD13 ILE A1020 -12.688 11.525 -6.418 1.00 34.37 H +ATOM 2088 N HIS A1021 -13.614 6.578 -9.582 1.00 29.57 N +ATOM 2089 CA HIS A1021 -12.786 5.511 -10.155 1.00 28.01 C +ATOM 2090 C HIS A1021 -11.322 5.937 -10.347 1.00 30.31 C +ATOM 2091 O HIS A1021 -10.436 5.175 -9.969 1.00 28.41 O +ATOM 2092 CB HIS A1021 -13.403 5.013 -11.479 1.00 27.19 C +ATOM 2093 CG HIS A1021 -12.853 3.693 -11.959 1.00 29.30 C +ATOM 2094 ND1 HIS A1021 -11.667 3.594 -12.689 1.00 30.35 N +ATOM 2095 CD2 HIS A1021 -13.363 2.425 -11.774 1.00 30.30 C +ATOM 2096 CE1 HIS A1021 -11.504 2.297 -12.912 1.00 29.49 C +ATOM 2097 NE2 HIS A1021 -12.474 1.556 -12.382 1.00 29.77 N +ATOM 2098 H HIS A1021 -14.123 7.159 -10.238 1.00 29.57 H +ATOM 2099 HA HIS A1021 -12.801 4.668 -9.461 1.00 28.01 H +ATOM 2100 HB3 HIS A1021 -13.282 5.753 -12.271 1.00 27.19 H +ATOM 2101 HB2 HIS A1021 -14.474 4.880 -11.356 1.00 27.19 H +ATOM 2102 HD2 HIS A1021 -14.255 2.085 -11.273 1.00 30.30 H +ATOM 2103 HE1 HIS A1021 -10.667 1.883 -13.456 1.00 29.49 H +ATOM 2104 HE2 HIS A1021 -12.538 0.547 -12.425 1.00 29.77 H +ATOM 2105 N ARG A1022 -11.096 7.121 -10.943 1.00 26.88 N +ATOM 2106 CA ARG A1022 -9.784 7.722 -11.235 1.00 26.62 C +ATOM 2107 C ARG A1022 -8.908 6.986 -12.278 1.00 29.84 C +ATOM 2108 O ARG A1022 -7.774 7.416 -12.489 1.00 30.79 O +ATOM 2109 CB ARG A1022 -8.980 7.994 -9.941 1.00 26.30 C +ATOM 2110 CG ARG A1022 -9.678 8.917 -8.919 1.00 34.16 C +ATOM 2111 CD ARG A1022 -8.867 9.205 -7.638 1.00 40.37 C +ATOM 2112 NE ARG A1022 -7.494 9.662 -7.927 1.00 53.37 N +ATOM 2113 CZ ARG A1022 -6.339 9.249 -7.370 1.00 66.01 C +ATOM 2114 NH1 ARG A1022 -6.301 8.376 -6.352 1.00 50.08 N +ATOM 2115 NH2 ARG A1022 -5.186 9.718 -7.861 1.00 58.24 N1+ +ATOM 2116 H ARG A1022 -11.894 7.664 -11.248 1.00 26.88 H +ATOM 2117 HA ARG A1022 -10.003 8.685 -11.691 1.00 26.62 H +ATOM 2118 HB3 ARG A1022 -8.038 8.461 -10.224 1.00 26.30 H +ATOM 2119 HB2 ARG A1022 -8.703 7.055 -9.468 1.00 26.30 H +ATOM 2120 HG3 ARG A1022 -10.571 8.380 -8.599 1.00 34.16 H +ATOM 2121 HG2 ARG A1022 -10.035 9.838 -9.374 1.00 34.16 H +ATOM 2122 HD3 ARG A1022 -8.962 8.416 -6.896 1.00 40.37 H +ATOM 2123 HD2 ARG A1022 -9.304 10.086 -7.170 1.00 40.37 H +ATOM 2124 HE ARG A1022 -7.428 10.323 -8.688 1.00 53.37 H +ATOM 2125 HH12 ARG A1022 -5.420 8.065 -5.971 1.00 50.08 H +ATOM 2126 HH11 ARG A1022 -7.160 7.948 -6.033 1.00 50.08 H +ATOM 2127 HH22 ARG A1022 -4.301 9.402 -7.489 1.00 58.24 H +ATOM 2128 HH21 ARG A1022 -5.185 10.345 -8.654 1.00 58.24 H +ATOM 2129 N ASN A1023 -9.418 5.931 -12.935 1.00 25.28 N +ATOM 2130 CA ASN A1023 -8.672 5.162 -13.934 1.00 24.95 C +ATOM 2131 C ASN A1023 -9.615 4.581 -15.005 1.00 27.49 C +ATOM 2132 O ASN A1023 -9.413 3.447 -15.436 1.00 27.32 O +ATOM 2133 CB ASN A1023 -7.816 4.068 -13.232 1.00 27.86 C +ATOM 2134 CG ASN A1023 -6.588 3.573 -14.014 1.00 46.94 C +ATOM 2135 OD1 ASN A1023 -6.243 4.089 -15.076 1.00 37.71 O +ATOM 2136 ND2 ASN A1023 -5.925 2.544 -13.483 1.00 47.99 N +ATOM 2137 H ASN A1023 -10.358 5.614 -12.735 1.00 25.28 H +ATOM 2138 HA ASN A1023 -8.030 5.821 -14.520 1.00 24.95 H +ATOM 2139 HB3 ASN A1023 -8.437 3.219 -12.941 1.00 27.86 H +ATOM 2140 HB2 ASN A1023 -7.417 4.470 -12.303 1.00 27.86 H +ATOM 2141 HD22 ASN A1023 -5.119 2.161 -13.957 1.00 47.99 H +ATOM 2142 HD21 ASN A1023 -6.237 2.118 -12.622 1.00 47.99 H +ATOM 2143 N LEU A1024 -10.648 5.336 -15.411 1.00 23.70 N +ATOM 2144 CA LEU A1024 -11.619 4.879 -16.405 1.00 23.85 C +ATOM 2145 C LEU A1024 -11.026 4.992 -17.823 1.00 29.77 C +ATOM 2146 O LEU A1024 -10.781 6.099 -18.301 1.00 30.30 O +ATOM 2147 CB LEU A1024 -12.947 5.643 -16.212 1.00 23.60 C +ATOM 2148 CG LEU A1024 -14.133 5.123 -17.053 1.00 28.86 C +ATOM 2149 CD1 LEU A1024 -14.514 3.664 -16.722 1.00 29.18 C +ATOM 2150 CD2 LEU A1024 -15.338 6.057 -16.884 1.00 32.57 C +ATOM 2151 H LEU A1024 -10.782 6.267 -15.035 1.00 23.70 H +ATOM 2152 HA LEU A1024 -11.821 3.825 -16.203 1.00 23.85 H +ATOM 2153 HB3 LEU A1024 -12.786 6.698 -16.431 1.00 23.60 H +ATOM 2154 HB2 LEU A1024 -13.227 5.603 -15.157 1.00 23.60 H +ATOM 2155 HG LEU A1024 -13.855 5.162 -18.107 1.00 28.86 H +ATOM 2156 HD11 LEU A1024 -15.581 3.551 -16.533 1.00 29.18 H +ATOM 2157 HD12 LEU A1024 -14.259 2.998 -17.547 1.00 29.18 H +ATOM 2158 HD13 LEU A1024 -14.004 3.295 -15.832 1.00 29.18 H +ATOM 2159 HD21 LEU A1024 -16.218 5.670 -17.397 1.00 32.57 H +ATOM 2160 HD22 LEU A1024 -15.592 6.194 -15.833 1.00 32.57 H +ATOM 2161 HD23 LEU A1024 -15.118 7.041 -17.292 1.00 32.57 H +ATOM 2162 N ALA A1025 -10.781 3.825 -18.437 1.00 25.59 N +ATOM 2163 CA ALA A1025 -10.140 3.647 -19.741 1.00 24.45 C +ATOM 2164 C ALA A1025 -10.518 2.265 -20.300 1.00 24.35 C +ATOM 2165 O ALA A1025 -10.969 1.410 -19.538 1.00 23.60 O +ATOM 2166 CB ALA A1025 -8.617 3.790 -19.578 1.00 25.60 C +ATOM 2167 H ALA A1025 -11.033 2.965 -17.971 1.00 25.59 H +ATOM 2168 HA ALA A1025 -10.493 4.413 -20.432 1.00 24.45 H +ATOM 2169 HB1 ALA A1025 -8.133 3.871 -20.549 1.00 25.60 H +ATOM 2170 HB2 ALA A1025 -8.354 4.689 -19.019 1.00 25.60 H +ATOM 2171 HB3 ALA A1025 -8.180 2.936 -19.064 1.00 25.60 H +ATOM 2172 N ALA A1026 -10.313 2.052 -21.613 1.00 21.93 N +ATOM 2173 CA ALA A1026 -10.616 0.790 -22.307 1.00 22.59 C +ATOM 2174 C ALA A1026 -9.798 -0.431 -21.830 1.00 27.08 C +ATOM 2175 O ALA A1026 -10.290 -1.554 -21.927 1.00 26.36 O +ATOM 2176 CB ALA A1026 -10.453 0.991 -23.819 1.00 24.44 C +ATOM 2177 H ALA A1026 -9.928 2.793 -22.186 1.00 21.93 H +ATOM 2178 HA ALA A1026 -11.668 0.563 -22.117 1.00 22.59 H +ATOM 2179 HB1 ALA A1026 -10.733 0.090 -24.365 1.00 24.44 H +ATOM 2180 HB2 ALA A1026 -11.089 1.800 -24.179 1.00 24.44 H +ATOM 2181 HB3 ALA A1026 -9.423 1.233 -24.083 1.00 24.44 H +ATOM 2182 N ARG A1027 -8.591 -0.185 -21.289 1.00 25.25 N +ATOM 2183 CA ARG A1027 -7.742 -1.139 -20.565 1.00 25.45 C +ATOM 2184 C ARG A1027 -8.425 -1.710 -19.307 1.00 28.29 C +ATOM 2185 O ARG A1027 -8.223 -2.878 -18.976 1.00 27.42 O +ATOM 2186 CB ARG A1027 -6.432 -0.403 -20.184 1.00 27.95 C +ATOM 2187 CG ARG A1027 -5.435 -1.193 -19.307 1.00 42.70 C +ATOM 2188 CD ARG A1027 -4.162 -0.408 -18.947 1.00 56.67 C +ATOM 2189 NE ARG A1027 -3.234 -0.266 -20.085 1.00 69.04 N +ATOM 2190 CZ ARG A1027 -2.191 0.580 -20.180 1.00 82.45 C +ATOM 2191 NH1 ARG A1027 -1.417 0.527 -21.271 1.00 58.12 N +ATOM 2192 NH2 ARG A1027 -1.893 1.468 -19.218 1.00 78.84 N1+ +ATOM 2193 H ARG A1027 -8.243 0.766 -21.316 1.00 25.25 H +ATOM 2194 HA ARG A1027 -7.506 -1.970 -21.231 1.00 25.45 H +ATOM 2195 HB3 ARG A1027 -6.693 0.509 -19.645 1.00 27.95 H +ATOM 2196 HB2 ARG A1027 -5.932 -0.070 -21.091 1.00 27.95 H +ATOM 2197 HG3 ARG A1027 -5.149 -2.068 -19.890 1.00 42.70 H +ATOM 2198 HG2 ARG A1027 -5.880 -1.580 -18.390 1.00 42.70 H +ATOM 2199 HD3 ARG A1027 -3.675 -0.813 -18.060 1.00 56.67 H +ATOM 2200 HD2 ARG A1027 -4.467 0.608 -18.695 1.00 56.67 H +ATOM 2201 HE ARG A1027 -3.396 -0.904 -20.850 1.00 69.04 H +ATOM 2202 HH12 ARG A1027 -0.649 1.172 -21.381 1.00 58.12 H +ATOM 2203 HH11 ARG A1027 -1.615 -0.134 -22.007 1.00 58.12 H +ATOM 2204 HH22 ARG A1027 -1.107 2.094 -19.316 1.00 78.84 H +ATOM 2205 HH21 ARG A1027 -2.462 1.513 -18.385 1.00 78.84 H +ATOM 2206 N ASN A1028 -9.194 -0.846 -18.632 1.00 25.48 N +ATOM 2207 CA ASN A1028 -9.823 -1.077 -17.334 1.00 25.69 C +ATOM 2208 C ASN A1028 -11.317 -1.429 -17.473 1.00 31.11 C +ATOM 2209 O ASN A1028 -11.999 -1.498 -16.454 1.00 31.65 O +ATOM 2210 CB ASN A1028 -9.602 0.176 -16.449 1.00 25.12 C +ATOM 2211 CG ASN A1028 -8.115 0.495 -16.245 1.00 40.47 C +ATOM 2212 OD1 ASN A1028 -7.402 -0.253 -15.588 1.00 35.79 O +ATOM 2213 ND2 ASN A1028 -7.627 1.597 -16.814 1.00 30.20 N +ATOM 2214 H ASN A1028 -9.333 0.079 -19.016 1.00 25.48 H +ATOM 2215 HA ASN A1028 -9.355 -1.930 -16.841 1.00 25.69 H +ATOM 2216 HB3 ASN A1028 -10.038 0.026 -15.461 1.00 25.12 H +ATOM 2217 HB2 ASN A1028 -10.111 1.042 -16.878 1.00 25.12 H +ATOM 2218 HD22 ASN A1028 -6.658 1.847 -16.685 1.00 30.20 H +ATOM 2219 HD21 ASN A1028 -8.239 2.229 -17.310 1.00 30.20 H +ATOM 2220 N VAL A1029 -11.798 -1.668 -18.706 1.00 26.95 N +ATOM 2221 CA VAL A1029 -13.139 -2.175 -18.986 1.00 26.70 C +ATOM 2222 C VAL A1029 -12.988 -3.520 -19.714 1.00 31.33 C +ATOM 2223 O VAL A1029 -12.373 -3.583 -20.778 1.00 31.48 O +ATOM 2224 CB VAL A1029 -13.976 -1.193 -19.852 1.00 30.65 C +ATOM 2225 CG1 VAL A1029 -15.338 -1.776 -20.277 1.00 31.45 C +ATOM 2226 CG2 VAL A1029 -14.220 0.131 -19.105 1.00 29.49 C +ATOM 2227 H VAL A1029 -11.183 -1.583 -19.503 1.00 26.95 H +ATOM 2228 HA VAL A1029 -13.684 -2.346 -18.056 1.00 26.70 H +ATOM 2229 HB VAL A1029 -13.412 -0.960 -20.757 1.00 30.65 H +ATOM 2230 HG11 VAL A1029 -15.924 -1.049 -20.837 1.00 31.45 H +ATOM 2231 HG12 VAL A1029 -15.230 -2.654 -20.910 1.00 31.45 H +ATOM 2232 HG13 VAL A1029 -15.921 -2.070 -19.403 1.00 31.45 H +ATOM 2233 HG21 VAL A1029 -14.744 0.849 -19.734 1.00 29.49 H +ATOM 2234 HG22 VAL A1029 -14.822 -0.027 -18.209 1.00 29.49 H +ATOM 2235 HG23 VAL A1029 -13.291 0.602 -18.790 1.00 29.49 H +ATOM 2236 N LEU A1030 -13.548 -4.562 -19.088 1.00 29.26 N +ATOM 2237 CA LEU A1030 -13.434 -5.968 -19.450 1.00 29.87 C +ATOM 2238 C LEU A1030 -14.733 -6.447 -20.113 1.00 34.28 C +ATOM 2239 O LEU A1030 -15.816 -6.037 -19.705 1.00 33.78 O +ATOM 2240 CB LEU A1030 -13.138 -6.783 -18.169 1.00 30.51 C +ATOM 2241 CG LEU A1030 -11.936 -6.290 -17.328 1.00 34.35 C +ATOM 2242 CD1 LEU A1030 -11.856 -7.064 -16.001 1.00 34.54 C +ATOM 2243 CD2 LEU A1030 -10.610 -6.344 -18.112 1.00 35.67 C +ATOM 2244 H LEU A1030 -14.085 -4.388 -18.246 1.00 29.26 H +ATOM 2245 HA LEU A1030 -12.621 -6.109 -20.154 1.00 29.87 H +ATOM 2246 HB3 LEU A1030 -12.970 -7.825 -18.443 1.00 30.51 H +ATOM 2247 HB2 LEU A1030 -14.023 -6.771 -17.529 1.00 30.51 H +ATOM 2248 HG LEU A1030 -12.099 -5.248 -17.048 1.00 34.35 H +ATOM 2249 HD11 LEU A1030 -10.853 -7.056 -15.576 1.00 34.54 H +ATOM 2250 HD12 LEU A1030 -12.517 -6.617 -15.257 1.00 34.54 H +ATOM 2251 HD13 LEU A1030 -12.155 -8.106 -16.124 1.00 34.54 H +ATOM 2252 HD21 LEU A1030 -9.796 -6.774 -17.533 1.00 35.67 H +ATOM 2253 HD22 LEU A1030 -10.700 -6.943 -19.016 1.00 35.67 H +ATOM 2254 HD23 LEU A1030 -10.295 -5.343 -18.409 1.00 35.67 H +ATOM 2255 N LEU A1031 -14.593 -7.319 -21.118 1.00 30.49 N +ATOM 2256 CA LEU A1031 -15.677 -7.865 -21.925 1.00 32.51 C +ATOM 2257 C LEU A1031 -15.990 -9.291 -21.448 1.00 35.33 C +ATOM 2258 O LEU A1031 -15.113 -10.153 -21.506 1.00 35.33 O +ATOM 2259 CB LEU A1031 -15.209 -7.845 -23.396 1.00 33.91 C +ATOM 2260 CG LEU A1031 -16.302 -8.174 -24.433 1.00 41.72 C +ATOM 2261 CD1 LEU A1031 -17.357 -7.065 -24.522 1.00 42.04 C +ATOM 2262 CD2 LEU A1031 -15.696 -8.439 -25.818 1.00 45.52 C +ATOM 2263 H LEU A1031 -13.662 -7.617 -21.389 1.00 30.49 H +ATOM 2264 HA LEU A1031 -16.567 -7.241 -21.825 1.00 32.51 H +ATOM 2265 HB3 LEU A1031 -14.375 -8.541 -23.507 1.00 33.91 H +ATOM 2266 HB2 LEU A1031 -14.790 -6.866 -23.627 1.00 33.91 H +ATOM 2267 HG LEU A1031 -16.801 -9.093 -24.128 1.00 41.72 H +ATOM 2268 HD11 LEU A1031 -17.957 -7.181 -25.423 1.00 42.04 H +ATOM 2269 HD12 LEU A1031 -18.043 -7.102 -23.679 1.00 42.04 H +ATOM 2270 HD13 LEU A1031 -16.903 -6.074 -24.546 1.00 42.04 H +ATOM 2271 HD21 LEU A1031 -16.156 -9.306 -26.290 1.00 45.52 H +ATOM 2272 HD22 LEU A1031 -15.839 -7.592 -26.491 1.00 45.52 H +ATOM 2273 HD23 LEU A1031 -14.625 -8.629 -25.764 1.00 45.52 H +ATOM 2274 N ASP A1032 -17.230 -9.515 -20.985 1.00 33.70 N +ATOM 2275 CA ASP A1032 -17.712 -10.827 -20.543 1.00 35.49 C +ATOM 2276 C ASP A1032 -18.166 -11.661 -21.755 1.00 42.98 C +ATOM 2277 O ASP A1032 -17.727 -12.798 -21.921 1.00 43.01 O +ATOM 2278 CB ASP A1032 -18.822 -10.678 -19.476 1.00 38.24 C +ATOM 2279 CG ASP A1032 -19.218 -11.987 -18.779 1.00 57.45 C +ATOM 2280 OD1 ASP A1032 -20.169 -12.639 -19.268 1.00 62.50 O +ATOM 2281 OD2 ASP A1032 -18.465 -12.387 -17.864 1.00 62.05 O1- +ATOM 2282 H ASP A1032 -17.907 -8.764 -20.978 1.00 33.70 H +ATOM 2283 HA ASP A1032 -16.879 -11.358 -20.082 1.00 35.49 H +ATOM 2284 HB3 ASP A1032 -19.703 -10.217 -19.924 1.00 38.24 H +ATOM 2285 HB2 ASP A1032 -18.498 -9.962 -18.720 1.00 38.24 H +ATOM 2286 N ASN A1033 -19.010 -11.038 -22.589 1.00 43.24 N +ATOM 2287 CA ASN A1033 -19.496 -11.544 -23.869 1.00 46.44 C +ATOM 2288 C ASN A1033 -19.762 -10.349 -24.801 1.00 51.69 C +ATOM 2289 O ASN A1033 -19.561 -9.203 -24.398 1.00 49.09 O +ATOM 2290 CB ASN A1033 -20.703 -12.502 -23.675 1.00 48.31 C +ATOM 2291 CG ASN A1033 -21.947 -11.875 -23.033 1.00 66.28 C +ATOM 2292 OD1 ASN A1033 -22.671 -11.117 -23.674 1.00 59.86 O +ATOM 2293 ND2 ASN A1033 -22.211 -12.205 -21.767 1.00 59.92 N +ATOM 2294 H ASN A1033 -19.289 -10.090 -22.377 1.00 43.24 H +ATOM 2295 HA ASN A1033 -18.694 -12.117 -24.331 1.00 46.44 H +ATOM 2296 HB3 ASN A1033 -20.389 -13.358 -23.076 1.00 48.31 H +ATOM 2297 HB2 ASN A1033 -21.002 -12.918 -24.638 1.00 48.31 H +ATOM 2298 HD22 ASN A1033 -23.026 -11.828 -21.307 1.00 59.92 H +ATOM 2299 HD21 ASN A1033 -21.579 -12.797 -21.242 1.00 59.92 H +ATOM 2300 N ASP A1034 -20.218 -10.631 -26.032 1.00 52.34 N +ATOM 2301 CA ASP A1034 -20.535 -9.640 -27.073 1.00 53.71 C +ATOM 2302 C ASP A1034 -21.507 -8.516 -26.646 1.00 56.50 C +ATOM 2303 O ASP A1034 -21.409 -7.420 -27.190 1.00 55.06 O +ATOM 2304 CB ASP A1034 -20.990 -10.266 -28.427 1.00 59.25 C +ATOM 2305 CG ASP A1034 -21.924 -11.494 -28.402 1.00 77.62 C +ATOM 2306 OD1 ASP A1034 -22.639 -11.706 -27.397 1.00 79.51 O +ATOM 2307 OD2 ASP A1034 -22.007 -12.140 -29.469 1.00 88.40 O1- +ATOM 2308 H ASP A1034 -20.398 -11.592 -26.284 1.00 52.34 H +ATOM 2309 HA ASP A1034 -19.585 -9.140 -27.273 1.00 53.71 H +ATOM 2310 HB3 ASP A1034 -20.095 -10.532 -28.993 1.00 59.25 H +ATOM 2311 HB2 ASP A1034 -21.495 -9.512 -29.032 1.00 59.25 H +ATOM 2312 N ARG A1035 -22.406 -8.796 -25.687 1.00 52.42 N +ATOM 2313 CA ARG A1035 -23.448 -7.882 -25.216 1.00 52.12 C +ATOM 2314 C ARG A1035 -23.343 -7.580 -23.704 1.00 53.91 C +ATOM 2315 O ARG A1035 -24.336 -7.124 -23.136 1.00 54.42 O +ATOM 2316 CB ARG A1035 -24.835 -8.467 -25.595 1.00 56.06 C +ATOM 2317 CG ARG A1035 -25.086 -8.703 -27.101 1.00 68.03 C +ATOM 2318 CD ARG A1035 -24.897 -7.444 -27.966 1.00 74.26 C +ATOM 2319 NE ARG A1035 -25.309 -7.644 -29.365 1.00 83.22 N +ATOM 2320 CZ ARG A1035 -26.494 -7.332 -29.925 1.00103.41 C +ATOM 2321 NH1 ARG A1035 -27.506 -6.799 -29.222 1.00 95.23 N +ATOM 2322 NH2 ARG A1035 -26.668 -7.561 -31.233 1.00 92.56 N1+ +ATOM 2323 H ARG A1035 -22.419 -9.724 -25.282 1.00 52.42 H +ATOM 2324 HA ARG A1035 -23.344 -6.910 -25.700 1.00 52.12 H +ATOM 2325 HB3 ARG A1035 -25.620 -7.801 -25.237 1.00 56.06 H +ATOM 2326 HB2 ARG A1035 -24.983 -9.410 -25.066 1.00 56.06 H +ATOM 2327 HG3 ARG A1035 -26.057 -9.166 -27.280 1.00 68.03 H +ATOM 2328 HG2 ARG A1035 -24.352 -9.442 -27.423 1.00 68.03 H +ATOM 2329 HD3 ARG A1035 -23.832 -7.242 -28.056 1.00 74.26 H +ATOM 2330 HD2 ARG A1035 -25.331 -6.559 -27.506 1.00 74.26 H +ATOM 2331 HE ARG A1035 -24.607 -8.071 -29.954 1.00 83.22 H +ATOM 2332 HH12 ARG A1035 -28.382 -6.569 -29.667 1.00 95.23 H +ATOM 2333 HH11 ARG A1035 -27.412 -6.662 -28.223 1.00 95.23 H +ATOM 2334 HH22 ARG A1035 -27.544 -7.335 -31.681 1.00 92.56 H +ATOM 2335 HH21 ARG A1035 -25.921 -7.962 -31.782 1.00 92.56 H +ATOM 2336 N LEU A1036 -22.174 -7.803 -23.070 1.00 47.46 N +ATOM 2337 CA LEU A1036 -21.967 -7.538 -21.640 1.00 44.95 C +ATOM 2338 C LEU A1036 -20.533 -7.065 -21.368 1.00 44.87 C +ATOM 2339 O LEU A1036 -19.582 -7.752 -21.739 1.00 44.01 O +ATOM 2340 CB LEU A1036 -22.340 -8.791 -20.812 1.00 46.48 C +ATOM 2341 CG LEU A1036 -22.180 -8.679 -19.274 1.00 50.35 C +ATOM 2342 CD1 LEU A1036 -22.973 -7.502 -18.671 1.00 50.69 C +ATOM 2343 CD2 LEU A1036 -22.529 -10.018 -18.591 1.00 54.50 C +ATOM 2344 H LEU A1036 -21.382 -8.171 -23.579 1.00 47.46 H +ATOM 2345 HA LEU A1036 -22.630 -6.724 -21.343 1.00 44.95 H +ATOM 2346 HB3 LEU A1036 -21.719 -9.617 -21.159 1.00 46.48 H +ATOM 2347 HB2 LEU A1036 -23.369 -9.073 -21.040 1.00 46.48 H +ATOM 2348 HG LEU A1036 -21.127 -8.494 -19.056 1.00 50.35 H +ATOM 2349 HD11 LEU A1036 -23.473 -7.760 -17.737 1.00 50.69 H +ATOM 2350 HD12 LEU A1036 -22.306 -6.670 -18.448 1.00 50.69 H +ATOM 2351 HD13 LEU A1036 -23.741 -7.137 -19.353 1.00 50.69 H +ATOM 2352 HD21 LEU A1036 -21.721 -10.346 -17.938 1.00 54.50 H +ATOM 2353 HD22 LEU A1036 -23.433 -9.959 -17.986 1.00 54.50 H +ATOM 2354 HD23 LEU A1036 -22.691 -10.816 -19.315 1.00 54.50 H +ATOM 2355 N VAL A1037 -20.428 -5.918 -20.680 1.00 38.25 N +ATOM 2356 CA VAL A1037 -19.183 -5.244 -20.316 1.00 36.27 C +ATOM 2357 C VAL A1037 -19.170 -4.944 -18.803 1.00 39.75 C +ATOM 2358 O VAL A1037 -20.229 -4.712 -18.218 1.00 42.27 O +ATOM 2359 CB VAL A1037 -19.016 -3.946 -21.177 1.00 39.78 C +ATOM 2360 CG1 VAL A1037 -19.009 -2.583 -20.456 1.00 38.54 C +ATOM 2361 CG2 VAL A1037 -17.802 -4.070 -22.103 1.00 38.84 C +ATOM 2362 H VAL A1037 -21.272 -5.428 -20.415 1.00 38.25 H +ATOM 2363 HA VAL A1037 -18.349 -5.920 -20.508 1.00 36.27 H +ATOM 2364 HB VAL A1037 -19.873 -3.887 -21.850 1.00 39.78 H +ATOM 2365 HG11 VAL A1037 -18.916 -1.774 -21.181 1.00 38.54 H +ATOM 2366 HG12 VAL A1037 -19.935 -2.413 -19.907 1.00 38.54 H +ATOM 2367 HG13 VAL A1037 -18.179 -2.490 -19.757 1.00 38.54 H +ATOM 2368 HG21 VAL A1037 -17.730 -3.211 -22.767 1.00 38.84 H +ATOM 2369 HG22 VAL A1037 -16.873 -4.154 -21.540 1.00 38.84 H +ATOM 2370 HG23 VAL A1037 -17.890 -4.953 -22.732 1.00 38.84 H +ATOM 2371 N LYS A1038 -17.968 -4.982 -18.204 1.00 33.36 N +ATOM 2372 CA LYS A1038 -17.714 -4.878 -16.766 1.00 33.06 C +ATOM 2373 C LYS A1038 -16.485 -4.002 -16.491 1.00 35.92 C +ATOM 2374 O LYS A1038 -15.436 -4.235 -17.082 1.00 35.20 O +ATOM 2375 CB LYS A1038 -17.479 -6.290 -16.190 1.00 36.83 C +ATOM 2376 CG LYS A1038 -18.749 -7.145 -16.080 1.00 43.54 C +ATOM 2377 CD LYS A1038 -18.421 -8.608 -15.749 1.00 43.25 C +ATOM 2378 CE LYS A1038 -19.663 -9.482 -15.509 1.00 48.33 C +ATOM 2379 NZ LYS A1038 -20.306 -9.193 -14.214 1.00 58.37 N1+ +ATOM 2380 H LYS A1038 -17.149 -5.184 -18.767 1.00 33.36 H +ATOM 2381 HA LYS A1038 -18.574 -4.425 -16.277 1.00 33.06 H +ATOM 2382 HB3 LYS A1038 -17.052 -6.212 -15.188 1.00 36.83 H +ATOM 2383 HB2 LYS A1038 -16.730 -6.807 -16.793 1.00 36.83 H +ATOM 2384 HG3 LYS A1038 -19.317 -7.118 -17.009 1.00 43.54 H +ATOM 2385 HG2 LYS A1038 -19.391 -6.713 -15.312 1.00 43.54 H +ATOM 2386 HD3 LYS A1038 -17.751 -8.642 -14.891 1.00 43.25 H +ATOM 2387 HD2 LYS A1038 -17.852 -9.036 -16.575 1.00 43.25 H +ATOM 2388 HE3 LYS A1038 -19.380 -10.535 -15.514 1.00 48.33 H +ATOM 2389 HE2 LYS A1038 -20.386 -9.341 -16.312 1.00 48.33 H +ATOM 2390 HZ1 LYS A1038 -20.568 -8.218 -14.175 1.00 58.37 H +ATOM 2391 HZ2 LYS A1038 -21.132 -9.766 -14.115 1.00 58.37 H +ATOM 2392 HZ3 LYS A1038 -19.651 -9.405 -13.472 1.00 58.37 H +ATOM 2393 N ILE A1039 -16.614 -3.050 -15.556 1.00 32.33 N +ATOM 2394 CA ILE A1039 -15.529 -2.171 -15.108 1.00 30.26 C +ATOM 2395 C ILE A1039 -14.627 -2.911 -14.094 1.00 36.96 C +ATOM 2396 O ILE A1039 -15.145 -3.519 -13.160 1.00 36.41 O +ATOM 2397 CB ILE A1039 -16.108 -0.894 -14.429 1.00 32.08 C +ATOM 2398 CG1 ILE A1039 -17.001 -0.080 -15.398 1.00 32.40 C +ATOM 2399 CG2 ILE A1039 -15.044 0.034 -13.803 1.00 30.46 C +ATOM 2400 CD1 ILE A1039 -18.035 0.790 -14.673 1.00 32.90 C +ATOM 2401 H ILE A1039 -17.509 -2.910 -15.106 1.00 32.33 H +ATOM 2402 HA ILE A1039 -14.934 -1.867 -15.971 1.00 30.26 H +ATOM 2403 HB ILE A1039 -16.746 -1.235 -13.613 1.00 32.08 H +ATOM 2404 HG13 ILE A1039 -17.551 -0.733 -16.075 1.00 32.40 H +ATOM 2405 HG12 ILE A1039 -16.380 0.544 -16.043 1.00 32.40 H +ATOM 2406 HG21 ILE A1039 -15.498 0.926 -13.372 1.00 30.46 H +ATOM 2407 HG22 ILE A1039 -14.493 -0.448 -12.997 1.00 30.46 H +ATOM 2408 HG23 ILE A1039 -14.320 0.364 -14.550 1.00 30.46 H +ATOM 2409 HD11 ILE A1039 -18.793 1.149 -15.368 1.00 32.90 H +ATOM 2410 HD12 ILE A1039 -18.548 0.231 -13.890 1.00 32.90 H +ATOM 2411 HD13 ILE A1039 -17.570 1.656 -14.208 1.00 32.90 H +ATOM 2412 N GLY A1040 -13.302 -2.826 -14.292 1.00 34.99 N +ATOM 2413 CA GLY A1040 -12.289 -3.434 -13.430 1.00 35.46 C +ATOM 2414 C GLY A1040 -11.231 -2.398 -13.023 1.00 40.57 C +ATOM 2415 O GLY A1040 -11.286 -1.237 -13.431 1.00 40.24 O +ATOM 2416 H GLY A1040 -12.951 -2.287 -15.075 1.00 34.99 H +ATOM 2417 HA3 GLY A1040 -11.814 -4.254 -13.968 1.00 35.46 H +ATOM 2418 HA2 GLY A1040 -12.724 -3.850 -12.522 1.00 35.46 H +ATOM 2419 N ASP A1041 -10.271 -2.859 -12.199 1.00 37.60 N +ATOM 2420 CA ASP A1041 -9.139 -2.132 -11.605 1.00 37.19 C +ATOM 2421 C ASP A1041 -9.620 -0.924 -10.778 1.00 39.90 C +ATOM 2422 O ASP A1041 -9.731 0.180 -11.309 1.00 40.83 O +ATOM 2423 CB ASP A1041 -8.025 -1.778 -12.635 1.00 38.16 C +ATOM 2424 CG ASP A1041 -6.667 -1.263 -12.095 1.00 45.68 C +ATOM 2425 OD1 ASP A1041 -5.762 -1.083 -12.938 1.00 47.53 O +ATOM 2426 OD2 ASP A1041 -6.511 -1.058 -10.870 1.00 46.86 O1- +ATOM 2427 H ASP A1041 -10.325 -3.828 -11.918 1.00 37.60 H +ATOM 2428 HA ASP A1041 -8.695 -2.841 -10.905 1.00 37.19 H +ATOM 2429 HB3 ASP A1041 -8.418 -1.044 -13.339 1.00 38.16 H +ATOM 2430 HB2 ASP A1041 -7.825 -2.662 -13.241 1.00 38.16 H +ATOM 2431 N PHE A1042 -9.874 -1.177 -9.486 1.00 32.99 N +ATOM 2432 CA PHE A1042 -10.252 -0.180 -8.482 1.00 32.48 C +ATOM 2433 C PHE A1042 -9.048 0.246 -7.614 1.00 35.62 C +ATOM 2434 O PHE A1042 -9.241 0.681 -6.480 1.00 35.44 O +ATOM 2435 CB PHE A1042 -11.446 -0.723 -7.659 1.00 35.36 C +ATOM 2436 CG PHE A1042 -12.746 -0.802 -8.444 1.00 36.03 C +ATOM 2437 CD1 PHE A1042 -13.628 0.299 -8.473 1.00 39.47 C +ATOM 2438 CD2 PHE A1042 -12.997 -1.898 -9.298 1.00 37.32 C +ATOM 2439 CE1 PHE A1042 -14.757 0.263 -9.281 1.00 39.56 C +ATOM 2440 CE2 PHE A1042 -14.124 -1.908 -10.107 1.00 40.21 C +ATOM 2441 CZ PHE A1042 -15.004 -0.835 -10.094 1.00 38.02 C +ATOM 2442 H PHE A1042 -9.761 -2.121 -9.143 1.00 32.99 H +ATOM 2443 HA PHE A1042 -10.592 0.732 -8.974 1.00 32.48 H +ATOM 2444 HB3 PHE A1042 -11.630 -0.106 -6.779 1.00 35.36 H +ATOM 2445 HB2 PHE A1042 -11.210 -1.720 -7.281 1.00 35.36 H +ATOM 2446 HD1 PHE A1042 -13.434 1.171 -7.865 1.00 39.47 H +ATOM 2447 HD2 PHE A1042 -12.311 -2.731 -9.331 1.00 37.32 H +ATOM 2448 HE1 PHE A1042 -15.438 1.099 -9.293 1.00 39.56 H +ATOM 2449 HE2 PHE A1042 -14.309 -2.752 -10.753 1.00 40.21 H +ATOM 2450 HZ PHE A1042 -15.878 -0.849 -10.728 1.00 38.02 H +ATOM 2451 N GLY A1043 -7.822 0.119 -8.156 1.00 33.72 N +ATOM 2452 CA GLY A1043 -6.562 0.403 -7.464 1.00 35.61 C +ATOM 2453 C GLY A1043 -6.236 1.898 -7.376 1.00 40.83 C +ATOM 2454 O GLY A1043 -5.336 2.268 -6.627 1.00 42.94 O +ATOM 2455 H GLY A1043 -7.738 -0.245 -9.097 1.00 33.72 H +ATOM 2456 HA3 GLY A1043 -5.756 -0.110 -7.987 1.00 35.61 H +ATOM 2457 HA2 GLY A1043 -6.588 -0.000 -6.454 1.00 35.61 H +ATOM 2458 N LEU A1044 -6.964 2.757 -8.101 1.00 35.95 N +ATOM 2459 CA LEU A1044 -6.868 4.212 -8.002 1.00 35.55 C +ATOM 2460 C LEU A1044 -8.174 4.815 -7.450 1.00 38.20 C +ATOM 2461 O LEU A1044 -8.207 6.019 -7.209 1.00 37.43 O +ATOM 2462 CB LEU A1044 -6.463 4.769 -9.392 1.00 34.71 C +ATOM 2463 CG LEU A1044 -5.546 6.012 -9.370 1.00 41.15 C +ATOM 2464 CD1 LEU A1044 -4.267 5.793 -8.534 1.00 45.80 C +ATOM 2465 CD2 LEU A1044 -5.202 6.468 -10.803 1.00 40.55 C +ATOM 2466 H LEU A1044 -7.669 2.407 -8.738 1.00 35.95 H +ATOM 2467 HA LEU A1044 -6.111 4.481 -7.266 1.00 35.55 H +ATOM 2468 HB3 LEU A1044 -7.359 4.978 -9.980 1.00 34.71 H +ATOM 2469 HB2 LEU A1044 -5.931 3.993 -9.948 1.00 34.71 H +ATOM 2470 HG LEU A1044 -6.111 6.821 -8.906 1.00 41.15 H +ATOM 2471 HD11 LEU A1044 -3.368 6.181 -9.013 1.00 45.80 H +ATOM 2472 HD12 LEU A1044 -4.346 6.292 -7.569 1.00 45.80 H +ATOM 2473 HD13 LEU A1044 -4.091 4.735 -8.341 1.00 45.80 H +ATOM 2474 HD21 LEU A1044 -5.457 7.516 -10.941 1.00 40.55 H +ATOM 2475 HD22 LEU A1044 -4.144 6.362 -11.044 1.00 40.55 H +ATOM 2476 HD23 LEU A1044 -5.746 5.901 -11.558 1.00 40.55 H +ATOM 2477 N ALA A1045 -9.209 3.982 -7.223 1.00 34.45 N +ATOM 2478 CA ALA A1045 -10.511 4.387 -6.698 1.00 35.33 C +ATOM 2479 C ALA A1045 -10.439 4.900 -5.252 1.00 41.48 C +ATOM 2480 O ALA A1045 -9.613 4.431 -4.467 1.00 41.92 O +ATOM 2481 CB ALA A1045 -11.497 3.216 -6.820 1.00 35.84 C +ATOM 2482 H ALA A1045 -9.099 2.998 -7.419 1.00 34.45 H +ATOM 2483 HA ALA A1045 -10.854 5.202 -7.333 1.00 35.33 H +ATOM 2484 HB1 ALA A1045 -12.507 3.520 -6.545 1.00 35.84 H +ATOM 2485 HB2 ALA A1045 -11.536 2.843 -7.844 1.00 35.84 H +ATOM 2486 HB3 ALA A1045 -11.218 2.387 -6.170 1.00 35.84 H +ATOM 2487 N LYS A1046 -11.313 5.867 -4.943 1.00 39.67 N +ATOM 2488 CA LYS A1046 -11.335 6.594 -3.679 1.00 41.51 C +ATOM 2489 C LYS A1046 -12.769 6.933 -3.274 1.00 46.70 C +ATOM 2490 O LYS A1046 -13.584 7.254 -4.135 1.00 45.21 O +ATOM 2491 CB LYS A1046 -10.496 7.886 -3.832 1.00 43.95 C +ATOM 2492 CG LYS A1046 -9.006 7.725 -3.484 1.00 52.94 C +ATOM 2493 CD LYS A1046 -8.701 7.356 -2.018 1.00 61.30 C +ATOM 2494 CE LYS A1046 -9.532 8.134 -0.976 1.00 72.46 C +ATOM 2495 NZ LYS A1046 -9.060 7.912 0.401 1.00 80.50 N1+ +ATOM 2496 H LYS A1046 -11.985 6.167 -5.638 1.00 39.67 H +ATOM 2497 HA LYS A1046 -10.921 5.960 -2.893 1.00 41.51 H +ATOM 2498 HB3 LYS A1046 -10.898 8.679 -3.200 1.00 43.95 H +ATOM 2499 HB2 LYS A1046 -10.597 8.276 -4.845 1.00 43.95 H +ATOM 2500 HG3 LYS A1046 -8.499 8.654 -3.726 1.00 52.94 H +ATOM 2501 HG2 LYS A1046 -8.557 6.980 -4.141 1.00 52.94 H +ATOM 2502 HD3 LYS A1046 -7.640 7.539 -1.844 1.00 61.30 H +ATOM 2503 HD2 LYS A1046 -8.836 6.282 -1.891 1.00 61.30 H +ATOM 2504 HE3 LYS A1046 -10.578 7.837 -1.019 1.00 72.46 H +ATOM 2505 HE2 LYS A1046 -9.499 9.201 -1.183 1.00 72.46 H +ATOM 2506 HZ1 LYS A1046 -8.099 8.211 0.485 1.00 80.50 H +ATOM 2507 HZ2 LYS A1046 -9.635 8.436 1.044 1.00 80.50 H +ATOM 2508 HZ3 LYS A1046 -9.132 6.925 0.616 1.00 80.50 H +ATOM 2509 N ALA A1047 -13.023 6.914 -1.956 1.00 45.97 N +ATOM 2510 CA ALA A1047 -14.239 7.449 -1.350 1.00 47.89 C +ATOM 2511 C ALA A1047 -14.187 8.983 -1.308 1.00 53.43 C +ATOM 2512 O ALA A1047 -13.174 9.547 -0.891 1.00 53.75 O +ATOM 2513 CB ALA A1047 -14.388 6.876 0.067 1.00 51.21 C +ATOM 2514 H ALA A1047 -12.304 6.619 -1.313 1.00 45.97 H +ATOM 2515 HA ALA A1047 -15.102 7.133 -1.938 1.00 47.89 H +ATOM 2516 HB1 ALA A1047 -15.310 7.226 0.534 1.00 51.21 H +ATOM 2517 HB2 ALA A1047 -14.428 5.787 0.048 1.00 51.21 H +ATOM 2518 HB3 ALA A1047 -13.557 7.165 0.711 1.00 51.21 H +ATOM 2519 N VAL A1048 -15.298 9.611 -1.716 1.00 51.14 N +ATOM 2520 CA VAL A1048 -15.535 11.047 -1.614 1.00 52.52 C +ATOM 2521 C VAL A1048 -16.597 11.229 -0.503 1.00 61.61 C +ATOM 2522 O VAL A1048 -17.722 10.765 -0.700 1.00 62.08 O +ATOM 2523 CB VAL A1048 -16.114 11.607 -2.948 1.00 54.59 C +ATOM 2524 CG1 VAL A1048 -16.530 13.092 -2.876 1.00 55.28 C +ATOM 2525 CG2 VAL A1048 -15.135 11.410 -4.114 1.00 51.78 C +ATOM 2526 H VAL A1048 -16.088 9.063 -2.035 1.00 51.14 H +ATOM 2527 HA VAL A1048 -14.610 11.585 -1.415 1.00 52.52 H +ATOM 2528 HB VAL A1048 -17.003 11.032 -3.204 1.00 54.59 H +ATOM 2529 HG11 VAL A1048 -16.861 13.457 -3.849 1.00 55.28 H +ATOM 2530 HG12 VAL A1048 -17.357 13.256 -2.187 1.00 55.28 H +ATOM 2531 HG13 VAL A1048 -15.699 13.722 -2.555 1.00 55.28 H +ATOM 2532 HG21 VAL A1048 -15.521 11.853 -5.033 1.00 51.78 H +ATOM 2533 HG22 VAL A1048 -14.167 11.868 -3.908 1.00 51.78 H +ATOM 2534 HG23 VAL A1048 -14.975 10.351 -4.307 1.00 51.78 H +ATOM 2535 N PRO A1049 -16.236 11.864 0.641 1.00 62.00 N +ATOM 2536 CA PRO A1049 -17.184 12.176 1.737 1.00 66.09 C +ATOM 2537 C PRO A1049 -18.459 12.905 1.278 1.00 73.83 C +ATOM 2538 O PRO A1049 -18.379 13.730 0.371 1.00 71.64 O +ATOM 2539 CB PRO A1049 -16.360 13.056 2.691 1.00 69.51 C +ATOM 2540 CG PRO A1049 -14.922 12.638 2.458 1.00 71.48 C +ATOM 2541 CD PRO A1049 -14.889 12.341 0.967 1.00 63.48 C +ATOM 2542 HA PRO A1049 -17.442 11.236 2.228 1.00 66.09 H +ATOM 2543 HB3 PRO A1049 -16.661 12.943 3.733 1.00 69.51 H +ATOM 2544 HB2 PRO A1049 -16.469 14.109 2.431 1.00 69.51 H +ATOM 2545 HG3 PRO A1049 -14.718 11.723 3.016 1.00 71.48 H +ATOM 2546 HG2 PRO A1049 -14.195 13.390 2.766 1.00 71.48 H +ATOM 2547 HD2 PRO A1049 -14.690 13.250 0.396 1.00 63.48 H +ATOM 2548 HD3 PRO A1049 -14.110 11.611 0.746 1.00 63.48 H +ATOM 2549 N GLU A1050 -19.602 12.569 1.895 1.00 75.69 N +ATOM 2550 CA GLU A1050 -20.946 13.047 1.546 1.00 77.51 C +ATOM 2551 C GLU A1050 -21.137 14.581 1.530 1.00 84.15 C +ATOM 2552 O GLU A1050 -21.986 15.059 0.779 1.00 83.15 O +ATOM 2553 CB GLU A1050 -22.008 12.341 2.426 1.00 82.22 C +ATOM 2554 CG GLU A1050 -21.885 12.532 3.963 1.00 97.93 C +ATOM 2555 CD GLU A1050 -20.916 11.603 4.721 1.00120.70 C +ATOM 2556 OE1 GLU A1050 -20.359 10.662 4.111 1.00108.26 O +ATOM 2557 OE2 GLU A1050 -20.744 11.858 5.932 1.00119.67 O1- +ATOM 2558 H GLU A1050 -19.579 11.872 2.631 1.00 75.69 H +ATOM 2559 HA GLU A1050 -21.125 12.712 0.524 1.00 77.51 H +ATOM 2560 HB3 GLU A1050 -22.050 11.282 2.167 1.00 82.22 H +ATOM 2561 HB2 GLU A1050 -22.989 12.719 2.132 1.00 82.22 H +ATOM 2562 HG3 GLU A1050 -22.872 12.366 4.398 1.00 97.93 H +ATOM 2563 HG2 GLU A1050 -21.638 13.568 4.194 1.00 97.93 H +ATOM 2564 N GLY A1051 -20.338 15.319 2.321 1.00 83.36 N +ATOM 2565 CA GLY A1051 -20.349 16.784 2.369 1.00 84.58 C +ATOM 2566 C GLY A1051 -19.399 17.422 1.337 1.00 86.36 C +ATOM 2567 O GLY A1051 -19.389 18.646 1.220 1.00 86.86 O +ATOM 2568 H GLY A1051 -19.670 14.844 2.911 1.00 83.36 H +ATOM 2569 HA3 GLY A1051 -20.033 17.094 3.366 1.00 84.58 H +ATOM 2570 HA2 GLY A1051 -21.358 17.172 2.226 1.00 84.58 H +ATOM 2571 N HIS A1052 -18.603 16.617 0.612 1.00 79.97 N +ATOM 2572 CA HIS A1052 -17.629 17.044 -0.396 1.00 76.91 C +ATOM 2573 C HIS A1052 -18.094 16.595 -1.790 1.00 76.64 C +ATOM 2574 O HIS A1052 -18.787 15.585 -1.914 1.00 75.70 O +ATOM 2575 CB HIS A1052 -16.251 16.409 -0.088 1.00 77.26 C +ATOM 2576 CG HIS A1052 -15.567 16.850 1.187 1.00 83.91 C +ATOM 2577 ND1 HIS A1052 -16.152 16.768 2.440 1.00 88.78 N +ATOM 2578 CD2 HIS A1052 -14.313 17.378 1.406 1.00 86.52 C +ATOM 2579 CE1 HIS A1052 -15.265 17.223 3.327 1.00 90.57 C +ATOM 2580 NE2 HIS A1052 -14.124 17.610 2.771 1.00 89.68 N +ATOM 2581 H HIS A1052 -18.692 15.614 0.718 1.00 79.97 H +ATOM 2582 HA HIS A1052 -17.523 18.131 -0.401 1.00 76.91 H +ATOM 2583 HB3 HIS A1052 -15.563 16.629 -0.906 1.00 77.26 H +ATOM 2584 HB2 HIS A1052 -16.332 15.322 -0.062 1.00 77.26 H +ATOM 2585 HD1 HIS A1052 -17.082 16.431 2.642 1.00 88.78 H +ATOM 2586 HD2 HIS A1052 -13.535 17.600 0.692 1.00 86.52 H +ATOM 2587 HE1 HIS A1052 -15.456 17.273 4.389 1.00 90.57 H +ATOM 2588 N GLU A1053 -17.659 17.337 -2.818 1.00 70.38 N +ATOM 2589 CA GLU A1053 -17.883 17.022 -4.230 1.00 67.41 C +ATOM 2590 C GLU A1053 -16.584 16.601 -4.949 1.00 65.39 C +ATOM 2591 O GLU A1053 -16.664 16.257 -6.128 1.00 62.86 O +ATOM 2592 CB GLU A1053 -18.593 18.212 -4.927 1.00 69.51 C +ATOM 2593 CG GLU A1053 -17.779 19.512 -5.135 1.00 81.78 C +ATOM 2594 CD GLU A1053 -17.774 20.453 -3.921 1.00109.48 C +ATOM 2595 OE1 GLU A1053 -16.893 20.272 -3.050 1.00107.26 O +ATOM 2596 OE2 GLU A1053 -18.640 21.354 -3.893 1.00107.68 O1- +ATOM 2597 H GLU A1053 -17.139 18.188 -2.639 1.00 70.38 H +ATOM 2598 HA GLU A1053 -18.554 16.164 -4.313 1.00 67.41 H +ATOM 2599 HB3 GLU A1053 -19.513 18.442 -4.385 1.00 69.51 H +ATOM 2600 HB2 GLU A1053 -18.934 17.872 -5.906 1.00 69.51 H +ATOM 2601 HG3 GLU A1053 -18.205 20.053 -5.981 1.00 81.78 H +ATOM 2602 HG2 GLU A1053 -16.758 19.288 -5.435 1.00 81.78 H +ATOM 2603 N TYR A1054 -15.432 16.620 -4.250 1.00 59.91 N +ATOM 2604 CA TYR A1054 -14.128 16.231 -4.792 1.00 57.06 C +ATOM 2605 C TYR A1054 -13.225 15.603 -3.718 1.00 59.88 C +ATOM 2606 O TYR A1054 -13.480 15.733 -2.520 1.00 61.73 O +ATOM 2607 CB TYR A1054 -13.443 17.442 -5.481 1.00 57.75 C +ATOM 2608 CG TYR A1054 -12.910 18.540 -4.568 1.00 61.72 C +ATOM 2609 CD1 TYR A1054 -13.741 19.618 -4.206 1.00 65.51 C +ATOM 2610 CD2 TYR A1054 -11.587 18.494 -4.077 1.00 63.03 C +ATOM 2611 CE1 TYR A1054 -13.273 20.625 -3.342 1.00 68.28 C +ATOM 2612 CE2 TYR A1054 -11.118 19.497 -3.207 1.00 66.37 C +ATOM 2613 CZ TYR A1054 -11.960 20.564 -2.838 1.00 76.35 C +ATOM 2614 OH TYR A1054 -11.500 21.539 -2.001 1.00 81.80 O +ATOM 2615 H TYR A1054 -15.438 16.902 -3.281 1.00 59.91 H +ATOM 2616 HA TYR A1054 -14.295 15.452 -5.536 1.00 57.06 H +ATOM 2617 HB3 TYR A1054 -14.127 17.883 -6.202 1.00 57.75 H +ATOM 2618 HB2 TYR A1054 -12.603 17.084 -6.077 1.00 57.75 H +ATOM 2619 HD1 TYR A1054 -14.747 19.671 -4.589 1.00 65.51 H +ATOM 2620 HD2 TYR A1054 -10.931 17.684 -4.358 1.00 63.03 H +ATOM 2621 HE1 TYR A1054 -13.928 21.440 -3.069 1.00 68.28 H +ATOM 2622 HE2 TYR A1054 -10.112 19.450 -2.823 1.00 66.37 H +ATOM 2623 HH TYR A1054 -12.176 22.187 -1.785 1.00 81.80 H +ATOM 2624 N TYR A1055 -12.149 14.975 -4.212 1.00 53.09 N +ATOM 2625 CA TYR A1055 -11.007 14.471 -3.457 1.00 53.10 C +ATOM 2626 C TYR A1055 -9.726 15.055 -4.077 1.00 56.32 C +ATOM 2627 O TYR A1055 -9.573 14.988 -5.298 1.00 53.18 O +ATOM 2628 CB TYR A1055 -11.033 12.925 -3.512 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 -9.403 12.116 -1.742 1.00 59.33 C +ATOM 2631 CD2 TYR A1055 -8.864 11.731 -4.090 1.00 54.82 C +ATOM 2632 CE1 TYR A1055 -8.189 11.509 -1.366 1.00 60.69 C +ATOM 2633 CE2 TYR A1055 -7.648 11.129 -3.714 1.00 56.92 C +ATOM 2634 CZ TYR A1055 -7.317 11.005 -2.350 1.00 68.28 C +ATOM 2635 OH TYR A1055 -6.152 10.396 -1.981 1.00 72.13 O +ATOM 2636 H TYR A1055 -12.056 14.902 -5.217 1.00 53.09 H +ATOM 2637 HA TYR A1055 -11.071 14.792 -2.416 1.00 53.10 H +ATOM 2638 HB3 TYR A1055 -11.259 12.613 -4.532 1.00 53.04 H +ATOM 2639 HB2 TYR A1055 -11.853 12.545 -2.902 1.00 53.04 H +ATOM 2640 HD1 TYR A1055 -10.066 12.505 -0.983 1.00 59.33 H +ATOM 2641 HD2 TYR A1055 -9.109 11.827 -5.138 1.00 54.82 H +ATOM 2642 HE1 TYR A1055 -7.931 11.427 -0.320 1.00 60.69 H +ATOM 2643 HE2 TYR A1055 -6.979 10.757 -4.475 1.00 56.92 H +ATOM 2644 HH TYR A1055 -5.609 10.143 -2.731 1.00 72.13 H +ATOM 2645 N ARG A1056 -8.817 15.579 -3.235 1.00 56.46 N +ATOM 2646 CA ARG A1056 -7.489 16.027 -3.666 1.00 57.19 C +ATOM 2647 C ARG A1056 -6.566 14.824 -3.911 1.00 61.89 C +ATOM 2648 O ARG A1056 -6.398 13.993 -3.019 1.00 62.29 O +ATOM 2649 CB ARG A1056 -6.850 16.976 -2.627 1.00 60.29 C +ATOM 2650 CG ARG A1056 -6.976 18.462 -2.999 1.00 71.82 C +ATOM 2651 CD ARG A1056 -6.155 19.357 -2.056 1.00 85.08 C +ATOM 2652 NE ARG A1056 -6.336 20.793 -2.326 1.00 93.43 N +ATOM 2653 CZ ARG A1056 -7.282 21.607 -1.821 1.00108.81 C +ATOM 2654 NH1 ARG A1056 -8.250 21.157 -1.008 1.00 96.57 N +ATOM 2655 NH2 ARG A1056 -7.252 22.907 -2.136 1.00 96.30 N1+ +ATOM 2656 H ARG A1056 -8.994 15.588 -2.241 1.00 56.46 H +ATOM 2657 HA ARG A1056 -7.612 16.564 -4.604 1.00 57.19 H +ATOM 2658 HB3 ARG A1056 -5.781 16.771 -2.542 1.00 60.29 H +ATOM 2659 HB2 ARG A1056 -7.256 16.789 -1.632 1.00 60.29 H +ATOM 2660 HG3 ARG A1056 -8.009 18.791 -3.096 1.00 71.82 H +ATOM 2661 HG2 ARG A1056 -6.539 18.558 -3.995 1.00 71.82 H +ATOM 2662 HD3 ARG A1056 -5.101 19.189 -2.278 1.00 85.08 H +ATOM 2663 HD2 ARG A1056 -6.280 19.090 -1.006 1.00 85.08 H +ATOM 2664 HE ARG A1056 -5.661 21.191 -2.965 1.00 93.43 H +ATOM 2665 HH12 ARG A1056 -8.966 21.778 -0.657 1.00 96.57 H +ATOM 2666 HH11 ARG A1056 -8.277 20.181 -0.750 1.00 96.57 H +ATOM 2667 HH22 ARG A1056 -7.936 23.542 -1.749 1.00 96.30 H +ATOM 2668 HH21 ARG A1056 -6.504 23.276 -2.706 1.00 96.30 H +ATOM 2669 N VAL A1057 -5.959 14.797 -5.106 1.00 58.85 N +ATOM 2670 CA VAL A1057 -5.003 13.780 -5.542 1.00 59.44 C +ATOM 2671 C VAL A1057 -3.557 14.281 -5.359 1.00 68.20 C +ATOM 2672 O VAL A1057 -3.329 15.483 -5.206 1.00 69.34 O +ATOM 2673 CB VAL A1057 -5.225 13.404 -7.038 1.00 60.80 C +ATOM 2674 CG1 VAL A1057 -6.682 12.977 -7.283 1.00 59.13 C +ATOM 2675 CG2 VAL A1057 -4.790 14.446 -8.089 1.00 60.31 C +ATOM 2676 H VAL A1057 -6.124 15.552 -5.759 1.00 58.85 H +ATOM 2677 HA VAL A1057 -5.125 12.877 -4.941 1.00 59.44 H +ATOM 2678 HB VAL A1057 -4.617 12.519 -7.229 1.00 60.80 H +ATOM 2679 HG11 VAL A1057 -6.821 12.608 -8.299 1.00 59.13 H +ATOM 2680 HG12 VAL A1057 -6.979 12.188 -6.594 1.00 59.13 H +ATOM 2681 HG13 VAL A1057 -7.368 13.812 -7.139 1.00 59.13 H +ATOM 2682 HG21 VAL A1057 -4.998 14.090 -9.099 1.00 60.31 H +ATOM 2683 HG22 VAL A1057 -5.330 15.380 -7.961 1.00 60.31 H +ATOM 2684 HG23 VAL A1057 -3.723 14.663 -8.049 1.00 60.31 H +ATOM 2685 N ARG A1058 -2.607 13.334 -5.385 1.00 67.56 N +ATOM 2686 CA ARG A1058 -1.172 13.599 -5.282 1.00 70.37 C +ATOM 2687 C ARG A1058 -0.536 13.789 -6.667 1.00 74.80 C +ATOM 2688 O ARG A1058 -1.065 13.300 -7.667 1.00 72.29 O +ATOM 2689 CB ARG A1058 -0.482 12.425 -4.555 1.00 73.21 C +ATOM 2690 CG ARG A1058 -1.096 12.069 -3.190 1.00 89.24 C +ATOM 2691 CD ARG A1058 -0.267 11.012 -2.441 1.00105.70 C +ATOM 2692 NE ARG A1058 -0.997 10.452 -1.291 1.00119.40 N +ATOM 2693 CZ ARG A1058 -1.790 9.362 -1.293 1.00134.49 C +ATOM 2694 NH1 ARG A1058 -1.990 8.620 -2.394 1.00120.12 N +ATOM 2695 NH2 ARG A1058 -2.400 9.001 -0.157 1.00122.85 N1+ +ATOM 2696 H ARG A1058 -2.868 12.371 -5.537 1.00 67.56 H +ATOM 2697 HA ARG A1058 -1.012 14.506 -4.696 1.00 70.37 H +ATOM 2698 HB3 ARG A1058 0.576 12.656 -4.421 1.00 73.21 H +ATOM 2699 HB2 ARG A1058 -0.516 11.536 -5.188 1.00 73.21 H +ATOM 2700 HG3 ARG A1058 -2.147 11.782 -3.259 1.00 89.24 H +ATOM 2701 HG2 ARG A1058 -1.072 12.989 -2.605 1.00 89.24 H +ATOM 2702 HD3 ARG A1058 0.578 11.523 -1.980 1.00105.70 H +ATOM 2703 HD2 ARG A1058 0.168 10.261 -3.102 1.00105.70 H +ATOM 2704 HE ARG A1058 -0.910 10.974 -0.431 1.00119.40 H +ATOM 2705 HH12 ARG A1058 -2.574 7.793 -2.360 1.00120.12 H +ATOM 2706 HH11 ARG A1058 -1.525 8.863 -3.256 1.00120.12 H +ATOM 2707 HH22 ARG A1058 -2.991 8.183 -0.135 1.00122.85 H +ATOM 2708 HH21 ARG A1058 -2.266 9.536 0.689 1.00122.85 H +ATOM 2709 N GLU A1059 0.632 14.450 -6.673 1.00 74.50 N +ATOM 2710 CA GLU A1059 1.553 14.525 -7.807 1.00 74.23 C +ATOM 2711 C GLU A1059 2.254 13.163 -7.955 1.00 77.46 C +ATOM 2712 O GLU A1059 3.042 12.795 -7.083 1.00 79.77 O +ATOM 2713 CB GLU A1059 2.560 15.668 -7.559 1.00 78.25 C +ATOM 2714 CG GLU A1059 1.890 17.055 -7.402 1.00 89.76 C +ATOM 2715 CD GLU A1059 2.828 18.212 -7.020 1.00113.50 C +ATOM 2716 OE1 GLU A1059 4.065 18.018 -7.008 1.00107.60 O +ATOM 2717 OE2 GLU A1059 2.274 19.295 -6.731 1.00107.56 O1- +ATOM 2718 H GLU A1059 0.989 14.826 -5.807 1.00 74.50 H +ATOM 2719 HA GLU A1059 0.987 14.746 -8.714 1.00 74.23 H +ATOM 2720 HB3 GLU A1059 3.270 15.702 -8.387 1.00 78.25 H +ATOM 2721 HB2 GLU A1059 3.147 15.447 -6.666 1.00 78.25 H +ATOM 2722 HG3 GLU A1059 1.105 17.011 -6.647 1.00 89.76 H +ATOM 2723 HG2 GLU A1059 1.396 17.315 -8.337 1.00 89.76 H +ATOM 2724 N ASP A1060 1.895 12.418 -9.011 1.00 70.23 N +ATOM 2725 CA ASP A1060 2.226 11.001 -9.159 1.00 68.85 C +ATOM 2726 C ASP A1060 2.470 10.671 -10.644 1.00 68.50 C +ATOM 2727 O ASP A1060 1.778 11.208 -11.510 1.00 66.16 O +ATOM 2728 CB ASP A1060 1.134 10.133 -8.477 1.00 69.42 C +ATOM 2729 CG ASP A1060 1.308 8.615 -8.603 1.00 81.45 C +ATOM 2730 OD1 ASP A1060 0.565 8.022 -9.413 1.00 81.04 O +ATOM 2731 OD2 ASP A1060 2.259 8.097 -7.975 1.00 89.83 O1- +ATOM 2732 H ASP A1060 1.248 12.789 -9.693 1.00 70.23 H +ATOM 2733 HA ASP A1060 3.171 10.811 -8.645 1.00 68.85 H +ATOM 2734 HB3 ASP A1060 0.147 10.430 -8.837 1.00 69.42 H +ATOM 2735 HB2 ASP A1060 1.112 10.376 -7.413 1.00 69.42 H +ATOM 2736 N GLY A1061 3.463 9.803 -10.905 1.00 63.47 N +ATOM 2737 CA GLY A1061 3.919 9.458 -12.253 1.00 61.92 C +ATOM 2738 C GLY A1061 3.025 8.411 -12.936 1.00 61.80 C +ATOM 2739 O GLY A1061 2.926 8.424 -14.163 1.00 61.49 O +ATOM 2740 H GLY A1061 3.960 9.380 -10.133 1.00 63.47 H +ATOM 2741 HA3 GLY A1061 4.930 9.056 -12.184 1.00 61.92 H +ATOM 2742 HA2 GLY A1061 3.980 10.354 -12.873 1.00 61.92 H +ATOM 2743 N ASP A1062 2.365 7.532 -12.159 1.00 55.28 N +ATOM 2744 CA ASP A1062 1.462 6.477 -12.645 1.00 52.23 C +ATOM 2745 C ASP A1062 0.018 6.962 -12.892 1.00 50.35 C +ATOM 2746 O ASP A1062 -0.809 6.161 -13.330 1.00 49.00 O +ATOM 2747 CB ASP A1062 1.471 5.215 -11.744 1.00 54.90 C +ATOM 2748 CG ASP A1062 2.871 4.616 -11.542 1.00 73.36 C +ATOM 2749 OD1 ASP A1062 3.348 3.959 -12.494 1.00 75.14 O +ATOM 2750 OD2 ASP A1062 3.499 4.932 -10.507 1.00 82.10 O1- +ATOM 2751 H ASP A1062 2.477 7.575 -11.155 1.00 55.28 H +ATOM 2752 HA ASP A1062 1.824 6.157 -13.624 1.00 52.23 H +ATOM 2753 HB3 ASP A1062 0.835 4.437 -12.171 1.00 54.90 H +ATOM 2754 HB2 ASP A1062 1.050 5.454 -10.766 1.00 54.90 H +ATOM 2755 N SER A1063 -0.262 8.254 -12.645 1.00 43.08 N +ATOM 2756 CA SER A1063 -1.541 8.912 -12.926 1.00 39.71 C +ATOM 2757 C SER A1063 -1.834 8.917 -14.445 1.00 36.74 C +ATOM 2758 O SER A1063 -0.950 9.325 -15.200 1.00 35.65 O +ATOM 2759 CB SER A1063 -1.451 10.363 -12.416 1.00 44.05 C +ATOM 2760 OG SER A1063 -1.561 10.394 -11.008 1.00 56.19 O +ATOM 2761 H SER A1063 0.470 8.845 -12.278 1.00 43.08 H +ATOM 2762 HA SER A1063 -2.308 8.385 -12.360 1.00 39.71 H +ATOM 2763 HB3 SER A1063 -2.274 10.959 -12.814 1.00 44.05 H +ATOM 2764 HB2 SER A1063 -0.529 10.848 -12.736 1.00 44.05 H +ATOM 2765 HG SER A1063 -0.820 9.909 -10.633 1.00 56.19 H +ATOM 2766 N PRO A1064 -3.031 8.450 -14.878 1.00 30.99 N +ATOM 2767 CA PRO A1064 -3.409 8.434 -16.303 1.00 29.59 C +ATOM 2768 C PRO A1064 -3.804 9.836 -16.823 1.00 32.01 C +ATOM 2769 O PRO A1064 -4.987 10.123 -17.008 1.00 29.67 O +ATOM 2770 CB PRO A1064 -4.545 7.398 -16.344 1.00 29.56 C +ATOM 2771 CG PRO A1064 -5.231 7.543 -14.998 1.00 33.51 C +ATOM 2772 CD PRO A1064 -4.076 7.842 -14.049 1.00 30.17 C +ATOM 2773 HA PRO A1064 -2.580 8.066 -16.908 1.00 29.59 H +ATOM 2774 HB3 PRO A1064 -4.115 6.399 -16.418 1.00 29.56 H +ATOM 2775 HB2 PRO A1064 -5.230 7.518 -17.184 1.00 29.56 H +ATOM 2776 HG3 PRO A1064 -5.811 6.671 -14.703 1.00 33.51 H +ATOM 2777 HG2 PRO A1064 -5.910 8.392 -15.038 1.00 33.51 H +ATOM 2778 HD2 PRO A1064 -4.396 8.489 -13.233 1.00 30.17 H +ATOM 2779 HD3 PRO A1064 -3.692 6.913 -13.624 1.00 30.17 H +ATOM 2780 N VAL A1065 -2.786 10.690 -17.026 1.00 29.66 N +ATOM 2781 CA VAL A1065 -2.902 12.106 -17.382 1.00 29.04 C +ATOM 2782 C VAL A1065 -3.565 12.389 -18.746 1.00 30.30 C +ATOM 2783 O VAL A1065 -4.209 13.429 -18.873 1.00 30.19 O +ATOM 2784 CB VAL A1065 -1.522 12.819 -17.348 1.00 34.62 C +ATOM 2785 CG1 VAL A1065 -0.968 12.886 -15.914 1.00 34.92 C +ATOM 2786 CG2 VAL A1065 -0.478 12.246 -18.328 1.00 35.44 C +ATOM 2787 H VAL A1065 -1.845 10.366 -16.844 1.00 29.66 H +ATOM 2788 HA VAL A1065 -3.532 12.562 -16.618 1.00 29.04 H +ATOM 2789 HB VAL A1065 -1.673 13.855 -17.651 1.00 34.62 H +ATOM 2790 HG11 VAL A1065 -0.022 13.424 -15.880 1.00 34.92 H +ATOM 2791 HG12 VAL A1065 -1.661 13.400 -15.247 1.00 34.92 H +ATOM 2792 HG13 VAL A1065 -0.786 11.895 -15.503 1.00 34.92 H +ATOM 2793 HG21 VAL A1065 0.477 12.764 -18.227 1.00 35.44 H +ATOM 2794 HG22 VAL A1065 -0.296 11.188 -18.145 1.00 35.44 H +ATOM 2795 HG23 VAL A1065 -0.788 12.357 -19.367 1.00 35.44 H +ATOM 2796 N PHE A1066 -3.447 11.462 -19.715 1.00 25.62 N +ATOM 2797 CA PHE A1066 -4.084 11.560 -21.034 1.00 24.82 C +ATOM 2798 C PHE A1066 -5.578 11.163 -21.042 1.00 26.45 C +ATOM 2799 O PHE A1066 -6.220 11.285 -22.086 1.00 25.78 O +ATOM 2800 CB PHE A1066 -3.251 10.779 -22.074 1.00 26.47 C +ATOM 2801 CG PHE A1066 -1.844 11.322 -22.286 1.00 27.98 C +ATOM 2802 CD1 PHE A1066 -1.649 12.632 -22.772 1.00 31.46 C +ATOM 2803 CD2 PHE A1066 -0.713 10.538 -21.974 1.00 29.97 C +ATOM 2804 CE1 PHE A1066 -0.365 13.135 -22.936 1.00 33.77 C +ATOM 2805 CE2 PHE A1066 0.563 11.055 -22.150 1.00 33.43 C +ATOM 2806 CZ PHE A1066 0.737 12.349 -22.625 1.00 32.31 C +ATOM 2807 H PHE A1066 -2.904 10.626 -19.541 1.00 25.62 H +ATOM 2808 HA PHE A1066 -4.075 12.609 -21.337 1.00 24.82 H +ATOM 2809 HB3 PHE A1066 -3.756 10.782 -23.040 1.00 26.47 H +ATOM 2810 HB2 PHE A1066 -3.184 9.732 -21.779 1.00 26.47 H +ATOM 2811 HD1 PHE A1066 -2.496 13.256 -23.012 1.00 31.46 H +ATOM 2812 HD2 PHE A1066 -0.829 9.530 -21.608 1.00 29.97 H +ATOM 2813 HE1 PHE A1066 -0.222 14.140 -23.303 1.00 33.77 H +ATOM 2814 HE2 PHE A1066 1.426 10.449 -21.914 1.00 33.43 H +ATOM 2815 HZ PHE A1066 1.733 12.745 -22.753 1.00 32.31 H +ATOM 2816 N TRP A1067 -6.110 10.745 -19.880 1.00 22.72 N +ATOM 2817 CA TRP A1067 -7.531 10.523 -19.603 1.00 23.65 C +ATOM 2818 C TRP A1067 -8.099 11.559 -18.615 1.00 26.48 C +ATOM 2819 O TRP A1067 -9.285 11.467 -18.304 1.00 25.01 O +ATOM 2820 CB TRP A1067 -7.743 9.090 -19.059 1.00 21.85 C +ATOM 2821 CG TRP A1067 -7.607 7.990 -20.066 1.00 23.25 C +ATOM 2822 CD1 TRP A1067 -8.642 7.341 -20.645 1.00 25.76 C +ATOM 2823 CD2 TRP A1067 -6.398 7.444 -20.678 1.00 23.75 C +ATOM 2824 NE1 TRP A1067 -8.162 6.446 -21.576 1.00 25.21 N +ATOM 2825 CE2 TRP A1067 -6.788 6.472 -21.648 1.00 27.61 C +ATOM 2826 CE3 TRP A1067 -5.010 7.675 -20.529 1.00 25.53 C +ATOM 2827 CZ2 TRP A1067 -5.855 5.779 -22.436 1.00 27.61 C +ATOM 2828 CZ3 TRP A1067 -4.067 6.991 -21.323 1.00 27.51 C +ATOM 2829 CH2 TRP A1067 -4.488 6.046 -22.275 1.00 28.26 C +ATOM 2830 H TRP A1067 -5.501 10.650 -19.078 1.00 22.72 H +ATOM 2831 HA TRP A1067 -8.122 10.631 -20.512 1.00 23.65 H +ATOM 2832 HB3 TRP A1067 -8.742 8.988 -18.631 1.00 21.85 H +ATOM 2833 HB2 TRP A1067 -7.054 8.892 -18.237 1.00 21.85 H +ATOM 2834 HD1 TRP A1067 -9.684 7.521 -20.419 1.00 25.76 H +ATOM 2835 HE1 TRP A1067 -8.763 5.856 -22.143 1.00 25.21 H +ATOM 2836 HE3 TRP A1067 -4.665 8.393 -19.801 1.00 25.53 H +ATOM 2837 HZ2 TRP A1067 -6.179 5.054 -23.162 1.00 27.61 H +ATOM 2838 HZ3 TRP A1067 -3.015 7.191 -21.200 1.00 27.51 H +ATOM 2839 HH2 TRP A1067 -3.763 5.530 -22.885 1.00 28.26 H +ATOM 2840 N TYR A1068 -7.272 12.497 -18.115 1.00 25.06 N +ATOM 2841 CA TYR A1068 -7.642 13.429 -17.048 1.00 24.40 C +ATOM 2842 C TYR A1068 -8.088 14.804 -17.559 1.00 29.09 C +ATOM 2843 O TYR A1068 -7.539 15.325 -18.530 1.00 29.03 O +ATOM 2844 CB TYR A1068 -6.472 13.562 -16.048 1.00 25.40 C +ATOM 2845 CG TYR A1068 -6.380 12.528 -14.932 1.00 26.29 C +ATOM 2846 CD1 TYR A1068 -7.163 11.349 -14.925 1.00 27.65 C +ATOM 2847 CD2 TYR A1068 -5.512 12.778 -13.847 1.00 27.90 C +ATOM 2848 CE1 TYR A1068 -7.106 10.464 -13.835 1.00 28.32 C +ATOM 2849 CE2 TYR A1068 -5.448 11.886 -12.759 1.00 27.93 C +ATOM 2850 CZ TYR A1068 -6.256 10.733 -12.747 1.00 32.15 C +ATOM 2851 OH TYR A1068 -6.220 9.881 -11.685 1.00 34.10 O +ATOM 2852 H TYR A1068 -6.314 12.541 -18.432 1.00 25.06 H +ATOM 2853 HA TYR A1068 -8.495 13.017 -16.518 1.00 24.40 H +ATOM 2854 HB3 TYR A1068 -6.558 14.518 -15.532 1.00 25.40 H +ATOM 2855 HB2 TYR A1068 -5.525 13.618 -16.580 1.00 25.40 H +ATOM 2856 HD1 TYR A1068 -7.828 11.106 -15.737 1.00 27.65 H +ATOM 2857 HD2 TYR A1068 -4.905 13.672 -13.836 1.00 27.90 H +ATOM 2858 HE1 TYR A1068 -7.730 9.583 -13.840 1.00 28.32 H +ATOM 2859 HE2 TYR A1068 -4.789 12.095 -11.929 1.00 27.93 H +ATOM 2860 HH TYR A1068 -6.736 9.083 -11.841 1.00 34.10 H +ATOM 2861 N ALA A1069 -9.063 15.368 -16.828 1.00 26.27 N +ATOM 2862 CA ALA A1069 -9.621 16.707 -17.003 1.00 27.33 C +ATOM 2863 C ALA A1069 -8.659 17.817 -16.518 1.00 31.87 C +ATOM 2864 O ALA A1069 -7.763 17.513 -15.730 1.00 30.37 O +ATOM 2865 CB ALA A1069 -10.947 16.754 -16.231 1.00 27.85 C +ATOM 2866 H ALA A1069 -9.448 14.841 -16.054 1.00 26.27 H +ATOM 2867 HA ALA A1069 -9.810 16.823 -18.066 1.00 27.33 H +ATOM 2868 HB1 ALA A1069 -11.438 17.722 -16.320 1.00 27.85 H +ATOM 2869 HB2 ALA A1069 -11.646 16.004 -16.594 1.00 27.85 H +ATOM 2870 HB3 ALA A1069 -10.785 16.554 -15.172 1.00 27.85 H +ATOM 2871 N PRO A1070 -8.853 19.082 -16.970 1.00 28.98 N +ATOM 2872 CA PRO A1070 -7.923 20.191 -16.665 1.00 30.25 C +ATOM 2873 C PRO A1070 -7.700 20.518 -15.175 1.00 34.14 C +ATOM 2874 O PRO A1070 -6.573 20.852 -14.818 1.00 33.30 O +ATOM 2875 CB PRO A1070 -8.493 21.396 -17.433 1.00 33.24 C +ATOM 2876 CG PRO A1070 -9.331 20.784 -18.540 1.00 37.12 C +ATOM 2877 CD PRO A1070 -9.901 19.534 -17.888 1.00 31.16 C +ATOM 2878 HA PRO A1070 -6.962 19.920 -17.107 1.00 30.25 H +ATOM 2879 HB3 PRO A1070 -7.714 22.051 -17.825 1.00 33.24 H +ATOM 2880 HB2 PRO A1070 -9.134 22.001 -16.791 1.00 33.24 H +ATOM 2881 HG3 PRO A1070 -8.680 20.494 -19.364 1.00 37.12 H +ATOM 2882 HG2 PRO A1070 -10.095 21.455 -18.934 1.00 37.12 H +ATOM 2883 HD2 PRO A1070 -10.795 19.780 -17.314 1.00 31.16 H +ATOM 2884 HD3 PRO A1070 -10.174 18.813 -18.654 1.00 31.16 H +ATOM 2885 N GLU A1071 -8.744 20.397 -14.334 1.00 30.48 N +ATOM 2886 CA GLU A1071 -8.670 20.632 -12.886 1.00 31.43 C +ATOM 2887 C GLU A1071 -8.015 19.474 -12.104 1.00 36.54 C +ATOM 2888 O GLU A1071 -7.610 19.696 -10.965 1.00 37.63 O +ATOM 2889 CB GLU A1071 -10.061 21.021 -12.323 1.00 32.56 C +ATOM 2890 CG GLU A1071 -11.111 19.899 -12.136 1.00 35.76 C +ATOM 2891 CD GLU A1071 -11.663 19.243 -13.409 1.00 37.74 C +ATOM 2892 OE1 GLU A1071 -11.773 19.921 -14.455 1.00 31.58 O +ATOM 2893 OE2 GLU A1071 -12.001 18.047 -13.308 1.00 25.56 O1- +ATOM 2894 H GLU A1071 -9.652 20.128 -14.691 1.00 30.48 H +ATOM 2895 HA GLU A1071 -8.027 21.502 -12.737 1.00 31.43 H +ATOM 2896 HB3 GLU A1071 -10.485 21.824 -12.925 1.00 32.56 H +ATOM 2897 HB2 GLU A1071 -9.904 21.480 -11.346 1.00 32.56 H +ATOM 2898 HG3 GLU A1071 -11.971 20.327 -11.620 1.00 35.76 H +ATOM 2899 HG2 GLU A1071 -10.723 19.135 -11.462 1.00 35.76 H +ATOM 2900 N CYS A1072 -7.886 18.284 -12.717 1.00 32.49 N +ATOM 2901 CA CYS A1072 -7.132 17.152 -12.167 1.00 32.58 C +ATOM 2902 C CYS A1072 -5.622 17.310 -12.419 1.00 37.39 C +ATOM 2903 O CYS A1072 -4.826 16.835 -11.611 1.00 38.08 O +ATOM 2904 CB CYS A1072 -7.587 15.806 -12.759 1.00 31.25 C +ATOM 2905 SG CYS A1072 -9.352 15.554 -12.470 1.00 34.42 S +ATOM 2906 H CYS A1072 -8.257 18.161 -13.649 1.00 32.49 H +ATOM 2907 HA CYS A1072 -7.287 17.115 -11.087 1.00 32.58 H +ATOM 2908 HB3 CYS A1072 -7.039 14.977 -12.309 1.00 31.25 H +ATOM 2909 HB2 CYS A1072 -7.406 15.766 -13.832 1.00 31.25 H +ATOM 2910 HG CYS A1072 -9.290 15.627 -11.137 1.00 34.42 H +ATOM 2911 N LEU A1073 -5.266 17.967 -13.536 1.00 33.94 N +ATOM 2912 CA LEU A1073 -3.891 18.219 -13.963 1.00 35.43 C +ATOM 2913 C LEU A1073 -3.294 19.478 -13.307 1.00 43.48 C +ATOM 2914 O LEU A1073 -2.085 19.509 -13.081 1.00 44.33 O +ATOM 2915 CB LEU A1073 -3.869 18.390 -15.499 1.00 35.06 C +ATOM 2916 CG LEU A1073 -4.341 17.170 -16.321 1.00 37.87 C +ATOM 2917 CD1 LEU A1073 -4.517 17.552 -17.804 1.00 38.52 C +ATOM 2918 CD2 LEU A1073 -3.436 15.937 -16.139 1.00 39.19 C +ATOM 2919 H LEU A1073 -5.988 18.313 -14.153 1.00 33.94 H +ATOM 2920 HA LEU A1073 -3.265 17.368 -13.686 1.00 35.43 H +ATOM 2921 HB3 LEU A1073 -2.858 18.647 -15.817 1.00 35.06 H +ATOM 2922 HB2 LEU A1073 -4.489 19.252 -15.755 1.00 35.06 H +ATOM 2923 HG LEU A1073 -5.329 16.889 -15.963 1.00 37.87 H +ATOM 2924 HD11 LEU A1073 -5.382 17.049 -18.237 1.00 38.52 H +ATOM 2925 HD12 LEU A1073 -4.671 18.624 -17.940 1.00 38.52 H +ATOM 2926 HD13 LEU A1073 -3.644 17.286 -18.396 1.00 38.52 H +ATOM 2927 HD21 LEU A1073 -3.149 15.499 -17.094 1.00 39.19 H +ATOM 2928 HD22 LEU A1073 -2.519 16.169 -15.600 1.00 39.19 H +ATOM 2929 HD23 LEU A1073 -3.949 15.160 -15.574 1.00 39.19 H +ATOM 2930 N LYS A1074 -4.137 20.497 -13.064 1.00 42.49 N +ATOM 2931 CA LYS A1074 -3.729 21.836 -12.643 1.00 45.58 C +ATOM 2932 C LYS A1074 -3.934 22.044 -11.135 1.00 51.72 C +ATOM 2933 O LYS A1074 -2.973 22.372 -10.442 1.00 52.85 O +ATOM 2934 CB LYS A1074 -4.514 22.869 -13.483 1.00 49.18 C +ATOM 2935 CG LYS A1074 -4.055 24.328 -13.301 1.00 71.38 C +ATOM 2936 CD LYS A1074 -4.725 25.346 -14.249 1.00 85.44 C +ATOM 2937 CE LYS A1074 -6.183 25.718 -13.902 1.00 97.19 C +ATOM 2938 NZ LYS A1074 -7.173 24.740 -14.390 1.00104.18 N1+ +ATOM 2939 H LYS A1074 -5.112 20.390 -13.308 1.00 42.49 H +ATOM 2940 HA LYS A1074 -2.667 21.980 -12.852 1.00 45.58 H +ATOM 2941 HB3 LYS A1074 -5.576 22.781 -13.261 1.00 49.18 H +ATOM 2942 HB2 LYS A1074 -4.402 22.609 -14.535 1.00 49.18 H +ATOM 2943 HG3 LYS A1074 -2.977 24.371 -13.462 1.00 71.38 H +ATOM 2944 HG2 LYS A1074 -4.211 24.646 -12.269 1.00 71.38 H +ATOM 2945 HD3 LYS A1074 -4.664 24.985 -15.278 1.00 85.44 H +ATOM 2946 HD2 LYS A1074 -4.129 26.259 -14.237 1.00 85.44 H +ATOM 2947 HE3 LYS A1074 -6.429 26.674 -14.365 1.00 97.19 H +ATOM 2948 HE2 LYS A1074 -6.297 25.853 -12.826 1.00 97.19 H +ATOM 2949 HZ1 LYS A1074 -7.139 24.699 -15.403 1.00104.18 H +ATOM 2950 HZ2 LYS A1074 -6.976 23.827 -14.010 1.00104.18 H +ATOM 2951 HZ3 LYS A1074 -8.101 25.030 -14.113 1.00104.18 H +ATOM 2952 N GLU A1075 -5.180 21.863 -10.665 1.00 48.00 N +ATOM 2953 CA GLU A1075 -5.585 22.077 -9.272 1.00 49.76 C +ATOM 2954 C GLU A1075 -5.469 20.825 -8.390 1.00 53.28 C +ATOM 2955 O GLU A1075 -5.564 20.955 -7.169 1.00 53.10 O +ATOM 2956 CB GLU A1075 -7.027 22.637 -9.249 1.00 51.48 C +ATOM 2957 CG GLU A1075 -7.124 24.120 -9.674 1.00 66.34 C +ATOM 2958 CD GLU A1075 -6.547 25.137 -8.670 1.00 98.88 C +ATOM 2959 OE1 GLU A1075 -6.396 24.794 -7.475 1.00 95.63 O +ATOM 2960 OE2 GLU A1075 -6.278 26.270 -9.122 1.00 98.68 O1- +ATOM 2961 H GLU A1075 -5.913 21.578 -11.297 1.00 48.00 H +ATOM 2962 HA GLU A1075 -4.918 22.813 -8.819 1.00 49.76 H +ATOM 2963 HB3 GLU A1075 -7.494 22.492 -8.274 1.00 51.48 H +ATOM 2964 HB2 GLU A1075 -7.647 22.060 -9.934 1.00 51.48 H +ATOM 2965 HG3 GLU A1075 -8.175 24.373 -9.823 1.00 66.34 H +ATOM 2966 HG2 GLU A1075 -6.644 24.255 -10.644 1.00 66.34 H +ATOM 2967 N TYR A1076 -5.279 19.648 -9.014 1.00 50.13 N +ATOM 2968 CA TYR A1076 -5.184 18.331 -8.378 1.00 50.19 C +ATOM 2969 C TYR A1076 -6.446 17.957 -7.577 1.00 52.11 C +ATOM 2970 O TYR A1076 -6.327 17.366 -6.507 1.00 53.52 O +ATOM 2971 CB TYR A1076 -3.875 18.202 -7.561 1.00 54.13 C +ATOM 2972 CG TYR A1076 -2.614 18.454 -8.368 1.00 57.78 C +ATOM 2973 CD1 TYR A1076 -1.910 19.668 -8.226 1.00 62.12 C +ATOM 2974 CD2 TYR A1076 -2.156 17.481 -9.280 1.00 57.80 C +ATOM 2975 CE1 TYR A1076 -0.757 19.910 -8.998 1.00 64.82 C +ATOM 2976 CE2 TYR A1076 -1.005 17.725 -10.054 1.00 59.85 C +ATOM 2977 CZ TYR A1076 -0.305 18.940 -9.913 1.00 71.28 C +ATOM 2978 OH TYR A1076 0.811 19.178 -10.660 1.00 75.29 O +ATOM 2979 H TYR A1076 -5.206 19.646 -10.021 1.00 50.13 H +ATOM 2980 HA TYR A1076 -5.136 17.606 -9.189 1.00 50.19 H +ATOM 2981 HB3 TYR A1076 -3.793 17.199 -7.144 1.00 54.13 H +ATOM 2982 HB2 TYR A1076 -3.889 18.877 -6.704 1.00 54.13 H +ATOM 2983 HD1 TYR A1076 -2.257 20.423 -7.536 1.00 62.12 H +ATOM 2984 HD2 TYR A1076 -2.693 16.552 -9.399 1.00 57.80 H +ATOM 2985 HE1 TYR A1076 -0.223 20.842 -8.889 1.00 64.82 H +ATOM 2986 HE2 TYR A1076 -0.665 16.978 -10.756 1.00 59.85 H +ATOM 2987 HH TYR A1076 1.035 18.453 -11.248 1.00 75.29 H +ATOM 2988 N LYS A1077 -7.625 18.303 -8.117 1.00 44.81 N +ATOM 2989 CA LYS A1077 -8.935 17.968 -7.561 1.00 43.60 C +ATOM 2990 C LYS A1077 -9.643 17.020 -8.530 1.00 41.76 C +ATOM 2991 O LYS A1077 -9.712 17.322 -9.722 1.00 38.21 O +ATOM 2992 CB LYS A1077 -9.773 19.248 -7.392 1.00 46.62 C +ATOM 2993 CG LYS A1077 -9.225 20.227 -6.347 1.00 58.33 C +ATOM 2994 CD LYS A1077 -10.181 21.413 -6.133 1.00 67.59 C +ATOM 2995 CE LYS A1077 -9.692 22.437 -5.097 1.00 79.50 C +ATOM 2996 NZ LYS A1077 -8.547 23.225 -5.587 1.00 87.69 N1+ +ATOM 2997 H LYS A1077 -7.639 18.785 -9.007 1.00 44.81 H +ATOM 2998 HA LYS A1077 -8.838 17.480 -6.589 1.00 43.60 H +ATOM 2999 HB3 LYS A1077 -10.784 18.965 -7.093 1.00 46.62 H +ATOM 3000 HB2 LYS A1077 -9.869 19.760 -8.351 1.00 46.62 H +ATOM 3001 HG3 LYS A1077 -8.247 20.587 -6.666 1.00 58.33 H +ATOM 3002 HG2 LYS A1077 -9.067 19.705 -5.403 1.00 58.33 H +ATOM 3003 HD3 LYS A1077 -11.151 21.030 -5.811 1.00 67.59 H +ATOM 3004 HD2 LYS A1077 -10.370 21.908 -7.087 1.00 67.59 H +ATOM 3005 HE3 LYS A1077 -9.420 21.938 -4.166 1.00 79.50 H +ATOM 3006 HE2 LYS A1077 -10.500 23.130 -4.860 1.00 79.50 H +ATOM 3007 HZ1 LYS A1077 -8.803 23.715 -6.432 1.00 87.69 H +ATOM 3008 HZ2 LYS A1077 -8.267 23.900 -4.892 1.00 87.69 H +ATOM 3009 HZ3 LYS A1077 -7.769 22.614 -5.792 1.00 87.69 H +ATOM 3010 N PHE A1078 -10.177 15.913 -7.995 1.00 36.93 N +ATOM 3011 CA PHE A1078 -10.895 14.905 -8.764 1.00 34.49 C +ATOM 3012 C PHE A1078 -12.338 14.858 -8.243 1.00 39.60 C +ATOM 3013 O PHE A1078 -12.585 14.362 -7.144 1.00 40.48 O +ATOM 3014 CB PHE A1078 -10.163 13.553 -8.631 1.00 35.26 C +ATOM 3015 CG PHE A1078 -10.493 12.591 -9.753 1.00 34.98 C +ATOM 3016 CD1 PHE A1078 -9.616 12.456 -10.849 1.00 36.30 C +ATOM 3017 CD2 PHE A1078 -11.752 11.962 -9.802 1.00 35.94 C +ATOM 3018 CE1 PHE A1078 -9.990 11.692 -11.946 1.00 35.94 C +ATOM 3019 CE2 PHE A1078 -12.103 11.200 -10.902 1.00 37.30 C +ATOM 3020 CZ PHE A1078 -11.232 11.074 -11.975 1.00 34.53 C +ATOM 3021 H PHE A1078 -10.074 15.726 -7.005 1.00 36.93 H +ATOM 3022 HA PHE A1078 -10.911 15.172 -9.822 1.00 34.49 H +ATOM 3023 HB3 PHE A1078 -10.381 13.079 -7.673 1.00 35.26 H +ATOM 3024 HB2 PHE A1078 -9.086 13.717 -8.642 1.00 35.26 H +ATOM 3025 HD1 PHE A1078 -8.660 12.960 -10.852 1.00 36.30 H +ATOM 3026 HD2 PHE A1078 -12.462 12.090 -8.999 1.00 35.94 H +ATOM 3027 HE1 PHE A1078 -9.324 11.597 -12.788 1.00 35.94 H +ATOM 3028 HE2 PHE A1078 -13.078 10.743 -10.924 1.00 37.30 H +ATOM 3029 HZ PHE A1078 -11.523 10.502 -12.843 1.00 34.53 H +ATOM 3030 N TYR A1079 -13.251 15.383 -9.069 1.00 35.49 N +ATOM 3031 CA TYR A1079 -14.699 15.432 -8.867 1.00 35.71 C +ATOM 3032 C TYR A1079 -15.372 14.145 -9.384 1.00 36.13 C +ATOM 3033 O TYR A1079 -14.705 13.288 -9.964 1.00 33.76 O +ATOM 3034 CB TYR A1079 -15.243 16.673 -9.619 1.00 37.14 C +ATOM 3035 CG TYR A1079 -14.753 18.019 -9.104 1.00 41.82 C +ATOM 3036 CD1 TYR A1079 -15.584 18.803 -8.276 1.00 45.55 C +ATOM 3037 CD2 TYR A1079 -13.470 18.498 -9.452 1.00 42.95 C +ATOM 3038 CE1 TYR A1079 -15.127 20.039 -7.777 1.00 48.19 C +ATOM 3039 CE2 TYR A1079 -13.011 19.728 -8.945 1.00 44.97 C +ATOM 3040 CZ TYR A1079 -13.835 20.496 -8.101 1.00 54.63 C +ATOM 3041 OH TYR A1079 -13.381 21.681 -7.599 1.00 58.40 O +ATOM 3042 H TYR A1079 -12.940 15.728 -9.968 1.00 35.49 H +ATOM 3043 HA TYR A1079 -14.910 15.528 -7.804 1.00 35.71 H +ATOM 3044 HB3 TYR A1079 -16.331 16.687 -9.569 1.00 37.14 H +ATOM 3045 HB2 TYR A1079 -15.004 16.605 -10.682 1.00 37.14 H +ATOM 3046 HD1 TYR A1079 -16.571 18.454 -8.007 1.00 45.55 H +ATOM 3047 HD2 TYR A1079 -12.828 17.919 -10.099 1.00 42.95 H +ATOM 3048 HE1 TYR A1079 -15.767 20.629 -7.137 1.00 48.19 H +ATOM 3049 HE2 TYR A1079 -12.025 20.081 -9.205 1.00 44.97 H +ATOM 3050 HH TYR A1079 -14.028 22.123 -7.043 1.00 58.40 H +ATOM 3051 N TYR A1080 -16.702 14.042 -9.223 1.00 32.40 N +ATOM 3052 CA TYR A1080 -17.512 13.046 -9.939 1.00 30.87 C +ATOM 3053 C TYR A1080 -17.542 13.317 -11.455 1.00 32.51 C +ATOM 3054 O TYR A1080 -17.430 12.377 -12.238 1.00 30.72 O +ATOM 3055 CB TYR A1080 -18.938 12.999 -9.362 1.00 32.98 C +ATOM 3056 CG TYR A1080 -19.032 12.486 -7.936 1.00 35.85 C +ATOM 3057 CD1 TYR A1080 -18.695 11.147 -7.644 1.00 37.45 C +ATOM 3058 CD2 TYR A1080 -19.477 13.336 -6.902 1.00 38.07 C +ATOM 3059 CE1 TYR A1080 -18.818 10.655 -6.331 1.00 40.49 C +ATOM 3060 CE2 TYR A1080 -19.600 12.844 -5.588 1.00 40.41 C +ATOM 3061 CZ TYR A1080 -19.277 11.503 -5.305 1.00 44.30 C +ATOM 3062 OH TYR A1080 -19.410 11.026 -4.036 1.00 44.69 O +ATOM 3063 H TYR A1080 -17.208 14.750 -8.710 1.00 32.40 H +ATOM 3064 HA TYR A1080 -17.052 12.066 -9.794 1.00 30.87 H +ATOM 3065 HB3 TYR A1080 -19.560 12.345 -9.974 1.00 32.98 H +ATOM 3066 HB2 TYR A1080 -19.400 13.985 -9.425 1.00 32.98 H +ATOM 3067 HD1 TYR A1080 -18.346 10.490 -8.426 1.00 37.45 H +ATOM 3068 HD2 TYR A1080 -19.735 14.363 -7.111 1.00 38.07 H +ATOM 3069 HE1 TYR A1080 -18.566 9.627 -6.116 1.00 40.49 H +ATOM 3070 HE2 TYR A1080 -19.946 13.496 -4.799 1.00 40.41 H +ATOM 3071 HH TYR A1080 -19.090 10.127 -3.938 1.00 44.69 H +ATOM 3072 N ALA A1081 -17.605 14.604 -11.842 1.00 29.56 N +ATOM 3073 CA ALA A1081 -17.512 15.064 -13.228 1.00 27.95 C +ATOM 3074 C ALA A1081 -16.170 14.748 -13.915 1.00 27.99 C +ATOM 3075 O ALA A1081 -16.124 14.729 -15.142 1.00 26.14 O +ATOM 3076 CB ALA A1081 -17.798 16.573 -13.264 1.00 28.95 C +ATOM 3077 H ALA A1081 -17.713 15.325 -11.141 1.00 29.56 H +ATOM 3078 HA ALA A1081 -18.290 14.551 -13.796 1.00 27.95 H +ATOM 3079 HB1 ALA A1081 -17.793 16.956 -14.285 1.00 28.95 H +ATOM 3080 HB2 ALA A1081 -18.781 16.794 -12.847 1.00 28.95 H +ATOM 3081 HB3 ALA A1081 -17.061 17.135 -12.690 1.00 28.95 H +ATOM 3082 N SER A1082 -15.102 14.505 -13.138 1.00 25.39 N +ATOM 3083 CA SER A1082 -13.776 14.151 -13.646 1.00 24.95 C +ATOM 3084 C SER A1082 -13.745 12.745 -14.282 1.00 27.35 C +ATOM 3085 O SER A1082 -13.055 12.563 -15.284 1.00 26.99 O +ATOM 3086 CB SER A1082 -12.763 14.260 -12.500 1.00 28.68 C +ATOM 3087 OG SER A1082 -12.732 15.566 -11.967 1.00 33.92 O +ATOM 3088 H SER A1082 -15.195 14.533 -12.132 1.00 25.39 H +ATOM 3089 HA SER A1082 -13.498 14.869 -14.420 1.00 24.95 H +ATOM 3090 HB3 SER A1082 -11.764 14.000 -12.839 1.00 28.68 H +ATOM 3091 HB2 SER A1082 -13.008 13.569 -11.703 1.00 28.68 H +ATOM 3092 HG SER A1082 -12.333 16.169 -12.606 1.00 33.92 H +ATOM 3093 N ASP A1083 -14.537 11.799 -13.743 1.00 23.13 N +ATOM 3094 CA ASP A1083 -14.788 10.488 -14.354 1.00 22.18 C +ATOM 3095 C ASP A1083 -15.611 10.564 -15.651 1.00 25.02 C +ATOM 3096 O ASP A1083 -15.428 9.691 -16.496 1.00 23.63 O +ATOM 3097 CB ASP A1083 -15.474 9.498 -13.386 1.00 24.19 C +ATOM 3098 CG ASP A1083 -14.601 8.937 -12.259 1.00 28.00 C +ATOM 3099 OD1 ASP A1083 -13.433 8.581 -12.529 1.00 27.87 O +ATOM 3100 OD2 ASP A1083 -15.162 8.716 -11.167 1.00 31.18 O1- +ATOM 3101 H ASP A1083 -15.083 12.016 -12.921 1.00 23.13 H +ATOM 3102 HA ASP A1083 -13.818 10.082 -14.642 1.00 22.18 H +ATOM 3103 HB3 ASP A1083 -15.865 8.648 -13.943 1.00 24.19 H +ATOM 3104 HB2 ASP A1083 -16.333 9.997 -12.937 1.00 24.19 H +ATOM 3105 N VAL A1084 -16.478 11.581 -15.808 1.00 23.20 N +ATOM 3106 CA VAL A1084 -17.237 11.816 -17.043 1.00 22.46 C +ATOM 3107 C VAL A1084 -16.326 12.236 -18.215 1.00 25.25 C +ATOM 3108 O VAL A1084 -16.560 11.779 -19.334 1.00 23.49 O +ATOM 3109 CB VAL A1084 -18.378 12.855 -16.849 1.00 25.40 C +ATOM 3110 CG1 VAL A1084 -19.004 13.409 -18.149 1.00 24.52 C +ATOM 3111 CG2 VAL A1084 -19.467 12.272 -15.928 1.00 25.38 C +ATOM 3112 H VAL A1084 -16.590 12.265 -15.073 1.00 23.20 H +ATOM 3113 HA VAL A1084 -17.704 10.870 -17.322 1.00 22.46 H +ATOM 3114 HB VAL A1084 -17.970 13.719 -16.335 1.00 25.40 H +ATOM 3115 HG11 VAL A1084 -19.744 14.170 -17.923 1.00 24.52 H +ATOM 3116 HG12 VAL A1084 -18.280 13.911 -18.790 1.00 24.52 H +ATOM 3117 HG13 VAL A1084 -19.487 12.624 -18.732 1.00 24.52 H +ATOM 3118 HG21 VAL A1084 -20.235 13.007 -15.704 1.00 25.38 H +ATOM 3119 HG22 VAL A1084 -19.957 11.412 -16.385 1.00 25.38 H +ATOM 3120 HG23 VAL A1084 -19.053 11.952 -14.972 1.00 25.38 H +ATOM 3121 N TRP A1085 -15.279 13.034 -17.932 1.00 23.54 N +ATOM 3122 CA TRP A1085 -14.206 13.342 -18.882 1.00 23.20 C +ATOM 3123 C TRP A1085 -13.454 12.077 -19.319 1.00 25.99 C +ATOM 3124 O TRP A1085 -13.253 11.889 -20.518 1.00 26.38 O +ATOM 3125 CB TRP A1085 -13.269 14.426 -18.303 1.00 22.62 C +ATOM 3126 CG TRP A1085 -12.128 14.881 -19.175 1.00 22.84 C +ATOM 3127 CD1 TRP A1085 -11.055 14.132 -19.515 1.00 25.30 C +ATOM 3128 CD2 TRP A1085 -11.921 16.174 -19.828 1.00 22.79 C +ATOM 3129 NE1 TRP A1085 -10.233 14.839 -20.359 1.00 24.54 N +ATOM 3130 CE2 TRP A1085 -10.718 16.104 -20.594 1.00 26.50 C +ATOM 3131 CE3 TRP A1085 -12.618 17.404 -19.853 1.00 24.28 C +ATOM 3132 CZ2 TRP A1085 -10.252 17.180 -21.365 1.00 26.19 C +ATOM 3133 CZ3 TRP A1085 -12.152 18.496 -20.615 1.00 25.94 C +ATOM 3134 CH2 TRP A1085 -10.975 18.384 -21.378 1.00 26.22 C +ATOM 3135 H TRP A1085 -15.153 13.373 -16.988 1.00 23.54 H +ATOM 3136 HA TRP A1085 -14.660 13.744 -19.784 1.00 23.20 H +ATOM 3137 HB3 TRP A1085 -12.840 14.080 -17.363 1.00 22.62 H +ATOM 3138 HB2 TRP A1085 -13.860 15.308 -18.052 1.00 22.62 H +ATOM 3139 HD1 TRP A1085 -10.890 13.120 -19.184 1.00 25.30 H +ATOM 3140 HE1 TRP A1085 -9.371 14.455 -20.731 1.00 24.54 H +ATOM 3141 HE3 TRP A1085 -13.527 17.507 -19.285 1.00 24.28 H +ATOM 3142 HZ2 TRP A1085 -9.346 17.075 -21.938 1.00 26.19 H +ATOM 3143 HZ3 TRP A1085 -12.701 19.424 -20.620 1.00 25.94 H +ATOM 3144 HH2 TRP A1085 -10.626 19.223 -21.962 1.00 26.22 H +ATOM 3145 N SER A1086 -13.092 11.228 -18.343 1.00 23.27 N +ATOM 3146 CA SER A1086 -12.412 9.953 -18.565 1.00 22.29 C +ATOM 3147 C SER A1086 -13.274 8.947 -19.353 1.00 25.76 C +ATOM 3148 O SER A1086 -12.707 8.181 -20.130 1.00 25.35 O +ATOM 3149 CB SER A1086 -11.978 9.362 -17.215 1.00 24.31 C +ATOM 3150 OG SER A1086 -11.144 10.256 -16.504 1.00 27.11 O +ATOM 3151 H SER A1086 -13.281 11.465 -17.378 1.00 23.27 H +ATOM 3152 HA SER A1086 -11.518 10.152 -19.159 1.00 22.29 H +ATOM 3153 HB3 SER A1086 -11.420 8.439 -17.370 1.00 24.31 H +ATOM 3154 HB2 SER A1086 -12.840 9.115 -16.597 1.00 24.31 H +ATOM 3155 HG SER A1086 -10.415 10.519 -17.077 1.00 27.11 H +ATOM 3156 N PHE A1087 -14.612 9.007 -19.195 1.00 22.49 N +ATOM 3157 CA PHE A1087 -15.589 8.295 -20.022 1.00 21.87 C +ATOM 3158 C PHE A1087 -15.618 8.765 -21.483 1.00 26.76 C +ATOM 3159 O PHE A1087 -15.773 7.924 -22.363 1.00 27.22 O +ATOM 3160 CB PHE A1087 -16.998 8.282 -19.373 1.00 24.21 C +ATOM 3161 CG PHE A1087 -18.139 7.909 -20.310 1.00 25.86 C +ATOM 3162 CD1 PHE A1087 -18.280 6.574 -20.745 1.00 28.01 C +ATOM 3163 CD2 PHE A1087 -18.909 8.917 -20.932 1.00 26.70 C +ATOM 3164 CE1 PHE A1087 -19.174 6.264 -21.760 1.00 28.28 C +ATOM 3165 CE2 PHE A1087 -19.803 8.585 -21.941 1.00 28.37 C +ATOM 3166 CZ PHE A1087 -19.928 7.266 -22.358 1.00 26.26 C +ATOM 3167 H PHE A1087 -14.996 9.642 -18.508 1.00 22.49 H +ATOM 3168 HA PHE A1087 -15.264 7.254 -20.052 1.00 21.87 H +ATOM 3169 HB3 PHE A1087 -17.220 9.244 -18.916 1.00 24.21 H +ATOM 3170 HB2 PHE A1087 -17.001 7.559 -18.562 1.00 24.21 H +ATOM 3171 HD1 PHE A1087 -17.662 5.798 -20.320 1.00 28.01 H +ATOM 3172 HD2 PHE A1087 -18.781 9.951 -20.647 1.00 26.70 H +ATOM 3173 HE1 PHE A1087 -19.270 5.244 -22.097 1.00 28.28 H +ATOM 3174 HE2 PHE A1087 -20.388 9.359 -22.416 1.00 28.37 H +ATOM 3175 HZ PHE A1087 -20.613 7.022 -23.156 1.00 26.26 H +ATOM 3176 N GLY A1088 -15.463 10.078 -21.725 1.00 25.20 N +ATOM 3177 CA GLY A1088 -15.397 10.647 -23.072 1.00 24.53 C +ATOM 3178 C GLY A1088 -14.144 10.153 -23.812 1.00 25.56 C +ATOM 3179 O GLY A1088 -14.215 9.886 -25.010 1.00 24.64 O +ATOM 3180 H GLY A1088 -15.360 10.718 -20.948 1.00 25.20 H +ATOM 3181 HA3 GLY A1088 -15.369 11.734 -23.000 1.00 24.53 H +ATOM 3182 HA2 GLY A1088 -16.295 10.385 -23.634 1.00 24.53 H +ATOM 3183 N VAL A1089 -13.018 9.990 -23.092 1.00 22.27 N +ATOM 3184 CA VAL A1089 -11.773 9.430 -23.621 1.00 21.54 C +ATOM 3185 C VAL A1089 -11.845 7.892 -23.772 1.00 25.32 C +ATOM 3186 O VAL A1089 -11.253 7.367 -24.713 1.00 25.91 O +ATOM 3187 CB VAL A1089 -10.538 9.818 -22.757 1.00 24.92 C +ATOM 3188 CG1 VAL A1089 -9.205 9.300 -23.330 1.00 24.42 C +ATOM 3189 CG2 VAL A1089 -10.419 11.342 -22.593 1.00 24.24 C +ATOM 3190 H VAL A1089 -13.022 10.219 -22.107 1.00 22.27 H +ATOM 3191 HA VAL A1089 -11.612 9.844 -24.616 1.00 21.54 H +ATOM 3192 HB VAL A1089 -10.659 9.389 -21.761 1.00 24.92 H +ATOM 3193 HG11 VAL A1089 -8.358 9.619 -22.723 1.00 24.42 H +ATOM 3194 HG12 VAL A1089 -9.165 8.214 -23.374 1.00 24.42 H +ATOM 3195 HG13 VAL A1089 -9.045 9.679 -24.340 1.00 24.42 H +ATOM 3196 HG21 VAL A1089 -9.521 11.613 -22.042 1.00 24.24 H +ATOM 3197 HG22 VAL A1089 -10.373 11.837 -23.563 1.00 24.24 H +ATOM 3198 HG23 VAL A1089 -11.258 11.760 -22.043 1.00 24.24 H +ATOM 3199 N THR A1090 -12.615 7.201 -22.911 1.00 22.27 N +ATOM 3200 CA THR A1090 -12.918 5.771 -23.052 1.00 21.73 C +ATOM 3201 C THR A1090 -13.803 5.497 -24.282 1.00 24.89 C +ATOM 3202 O THR A1090 -13.496 4.581 -25.038 1.00 24.37 O +ATOM 3203 CB THR A1090 -13.638 5.177 -21.811 1.00 26.43 C +ATOM 3204 OG1 THR A1090 -12.855 5.394 -20.661 1.00 23.21 O +ATOM 3205 CG2 THR A1090 -13.917 3.664 -21.880 1.00 26.50 C +ATOM 3206 H THR A1090 -13.071 7.685 -22.149 1.00 22.27 H +ATOM 3207 HA THR A1090 -11.974 5.239 -23.187 1.00 21.73 H +ATOM 3208 HB THR A1090 -14.587 5.688 -21.652 1.00 26.43 H +ATOM 3209 HG1 THR A1090 -12.746 6.342 -20.526 1.00 23.21 H +ATOM 3210 HG21 THR A1090 -14.289 3.293 -20.925 1.00 26.50 H +ATOM 3211 HG22 THR A1090 -14.666 3.418 -22.633 1.00 26.50 H +ATOM 3212 HG23 THR A1090 -13.011 3.107 -22.118 1.00 26.50 H +ATOM 3213 N LEU A1091 -14.844 6.326 -24.480 1.00 21.38 N +ATOM 3214 CA LEU A1091 -15.754 6.315 -25.626 1.00 21.26 C +ATOM 3215 C LEU A1091 -15.027 6.594 -26.953 1.00 25.55 C +ATOM 3216 O LEU A1091 -15.338 5.943 -27.948 1.00 24.92 O +ATOM 3217 CB LEU A1091 -16.902 7.321 -25.358 1.00 21.18 C +ATOM 3218 CG LEU A1091 -18.043 7.343 -26.400 1.00 26.34 C +ATOM 3219 CD1 LEU A1091 -18.736 5.972 -26.517 1.00 27.66 C +ATOM 3220 CD2 LEU A1091 -19.046 8.478 -26.096 1.00 28.91 C +ATOM 3221 H LEU A1091 -15.031 7.043 -23.789 1.00 21.38 H +ATOM 3222 HA LEU A1091 -16.172 5.309 -25.684 1.00 21.26 H +ATOM 3223 HB3 LEU A1091 -16.476 8.322 -25.277 1.00 21.18 H +ATOM 3224 HB2 LEU A1091 -17.339 7.107 -24.381 1.00 21.18 H +ATOM 3225 HG LEU A1091 -17.612 7.573 -27.373 1.00 26.34 H +ATOM 3226 HD11 LEU A1091 -19.820 6.049 -26.604 1.00 27.66 H +ATOM 3227 HD12 LEU A1091 -18.386 5.428 -27.392 1.00 27.66 H +ATOM 3228 HD13 LEU A1091 -18.522 5.346 -25.651 1.00 27.66 H +ATOM 3229 HD21 LEU A1091 -19.158 9.136 -26.959 1.00 28.91 H +ATOM 3230 HD22 LEU A1091 -20.039 8.108 -25.839 1.00 28.91 H +ATOM 3231 HD23 LEU A1091 -18.721 9.099 -25.260 1.00 28.91 H +ATOM 3232 N TYR A1092 -14.031 7.499 -26.923 1.00 23.80 N +ATOM 3233 CA TYR A1092 -13.099 7.753 -28.021 1.00 23.59 C +ATOM 3234 C TYR A1092 -12.315 6.491 -28.425 1.00 28.07 C +ATOM 3235 O TYR A1092 -12.272 6.181 -29.614 1.00 28.26 O +ATOM 3236 CB TYR A1092 -12.173 8.936 -27.658 1.00 24.03 C +ATOM 3237 CG TYR A1092 -11.033 9.197 -28.626 1.00 25.49 C +ATOM 3238 CD1 TYR A1092 -11.301 9.688 -29.920 1.00 27.64 C +ATOM 3239 CD2 TYR A1092 -9.705 8.903 -28.251 1.00 25.28 C +ATOM 3240 CE1 TYR A1092 -10.251 9.863 -30.838 1.00 27.61 C +ATOM 3241 CE2 TYR A1092 -8.652 9.096 -29.166 1.00 25.84 C +ATOM 3242 CZ TYR A1092 -8.929 9.573 -30.462 1.00 31.24 C +ATOM 3243 OH TYR A1092 -7.926 9.744 -31.367 1.00 30.99 O +ATOM 3244 H TYR A1092 -13.854 8.006 -26.066 1.00 23.80 H +ATOM 3245 HA TYR A1092 -13.698 8.053 -28.883 1.00 23.59 H +ATOM 3246 HB3 TYR A1092 -11.731 8.761 -26.683 1.00 24.03 H +ATOM 3247 HB2 TYR A1092 -12.756 9.847 -27.538 1.00 24.03 H +ATOM 3248 HD1 TYR A1092 -12.315 9.900 -30.224 1.00 27.64 H +ATOM 3249 HD2 TYR A1092 -9.491 8.520 -27.264 1.00 25.28 H +ATOM 3250 HE1 TYR A1092 -10.457 10.196 -31.843 1.00 27.61 H +ATOM 3251 HE2 TYR A1092 -7.639 8.871 -28.867 1.00 25.84 H +ATOM 3252 HH TYR A1092 -7.106 9.333 -31.072 1.00 30.99 H +ATOM 3253 N GLU A1093 -11.768 5.761 -27.435 1.00 24.82 N +ATOM 3254 CA GLU A1093 -11.086 4.484 -27.646 1.00 23.87 C +ATOM 3255 C GLU A1093 -11.975 3.389 -28.258 1.00 29.02 C +ATOM 3256 O GLU A1093 -11.477 2.664 -29.115 1.00 29.63 O +ATOM 3257 CB GLU A1093 -10.427 3.973 -26.356 1.00 24.44 C +ATOM 3258 CG GLU A1093 -9.237 4.821 -25.884 1.00 27.04 C +ATOM 3259 CD GLU A1093 -8.637 4.226 -24.611 1.00 39.48 C +ATOM 3260 OE1 GLU A1093 -9.243 4.419 -23.533 1.00 26.77 O +ATOM 3261 OE2 GLU A1093 -7.591 3.554 -24.738 1.00 32.38 O1- +ATOM 3262 H GLU A1093 -11.845 6.074 -26.476 1.00 24.82 H +ATOM 3263 HA GLU A1093 -10.281 4.673 -28.357 1.00 23.87 H +ATOM 3264 HB3 GLU A1093 -10.087 2.947 -26.501 1.00 24.44 H +ATOM 3265 HB2 GLU A1093 -11.167 3.920 -25.560 1.00 24.44 H +ATOM 3266 HG3 GLU A1093 -9.531 5.852 -25.702 1.00 27.04 H +ATOM 3267 HG2 GLU A1093 -8.481 4.862 -26.670 1.00 27.04 H +ATOM 3268 N LEU A1094 -13.259 3.299 -27.860 1.00 26.56 N +ATOM 3269 CA LEU A1094 -14.192 2.306 -28.409 1.00 27.12 C +ATOM 3270 C LEU A1094 -14.478 2.531 -29.905 1.00 29.23 C +ATOM 3271 O LEU A1094 -14.481 1.561 -30.660 1.00 30.58 O +ATOM 3272 CB LEU A1094 -15.520 2.246 -27.615 1.00 27.75 C +ATOM 3273 CG LEU A1094 -15.421 2.018 -26.089 1.00 33.45 C +ATOM 3274 CD1 LEU A1094 -16.789 1.644 -25.482 1.00 34.25 C +ATOM 3275 CD2 LEU A1094 -14.323 1.027 -25.666 1.00 37.20 C +ATOM 3276 H LEU A1094 -13.614 3.919 -27.144 1.00 26.56 H +ATOM 3277 HA LEU A1094 -13.708 1.330 -28.327 1.00 27.12 H +ATOM 3278 HB3 LEU A1094 -16.113 1.436 -28.041 1.00 27.75 H +ATOM 3279 HB2 LEU A1094 -16.100 3.154 -27.790 1.00 27.75 H +ATOM 3280 HG LEU A1094 -15.166 2.977 -25.652 1.00 33.45 H +ATOM 3281 HD11 LEU A1094 -17.053 2.322 -24.669 1.00 34.25 H +ATOM 3282 HD12 LEU A1094 -17.592 1.700 -26.216 1.00 34.25 H +ATOM 3283 HD13 LEU A1094 -16.794 0.632 -25.076 1.00 34.25 H +ATOM 3284 HD21 LEU A1094 -14.466 0.703 -24.636 1.00 37.20 H +ATOM 3285 HD22 LEU A1094 -14.313 0.140 -26.299 1.00 37.20 H +ATOM 3286 HD23 LEU A1094 -13.335 1.487 -25.711 1.00 37.20 H +ATOM 3287 N LEU A1095 -14.672 3.802 -30.304 1.00 26.35 N +ATOM 3288 CA LEU A1095 -14.961 4.209 -31.682 1.00 28.85 C +ATOM 3289 C LEU A1095 -13.734 4.120 -32.619 1.00 32.34 C +ATOM 3290 O LEU A1095 -13.931 3.898 -33.813 1.00 33.48 O +ATOM 3291 CB LEU A1095 -15.577 5.632 -31.691 1.00 29.95 C +ATOM 3292 CG LEU A1095 -17.110 5.748 -31.482 1.00 37.01 C +ATOM 3293 CD1 LEU A1095 -17.928 4.993 -32.548 1.00 41.99 C +ATOM 3294 CD2 LEU A1095 -17.598 5.424 -30.060 1.00 37.43 C +ATOM 3295 H LEU A1095 -14.644 4.545 -29.618 1.00 26.35 H +ATOM 3296 HA LEU A1095 -15.694 3.506 -32.081 1.00 28.85 H +ATOM 3297 HB3 LEU A1095 -15.375 6.094 -32.658 1.00 29.95 H +ATOM 3298 HB2 LEU A1095 -15.062 6.260 -30.963 1.00 29.95 H +ATOM 3299 HG LEU A1095 -17.340 6.802 -31.630 1.00 37.01 H +ATOM 3300 HD11 LEU A1095 -18.648 5.658 -33.026 1.00 41.99 H +ATOM 3301 HD12 LEU A1095 -17.300 4.585 -33.335 1.00 41.99 H +ATOM 3302 HD13 LEU A1095 -18.483 4.155 -32.126 1.00 41.99 H +ATOM 3303 HD21 LEU A1095 -18.614 5.029 -30.052 1.00 37.43 H +ATOM 3304 HD22 LEU A1095 -16.973 4.692 -29.555 1.00 37.43 H +ATOM 3305 HD23 LEU A1095 -17.608 6.330 -29.455 1.00 37.43 H +ATOM 3306 N THR A1096 -12.506 4.251 -32.084 1.00 28.49 N +ATOM 3307 CA THR A1096 -11.253 3.995 -32.816 1.00 28.46 C +ATOM 3308 C THR A1096 -10.852 2.497 -32.815 1.00 34.09 C +ATOM 3309 O THR A1096 -9.856 2.153 -33.452 1.00 34.31 O +ATOM 3310 CB THR A1096 -10.059 4.808 -32.236 1.00 31.93 C +ATOM 3311 OG1 THR A1096 -9.741 4.419 -30.916 1.00 28.23 O +ATOM 3312 CG2 THR A1096 -10.258 6.329 -32.269 1.00 33.74 C +ATOM 3313 H THR A1096 -12.415 4.453 -31.098 1.00 28.49 H +ATOM 3314 HA THR A1096 -11.377 4.297 -33.856 1.00 28.46 H +ATOM 3315 HB THR A1096 -9.172 4.597 -32.833 1.00 31.93 H +ATOM 3316 HG1 THR A1096 -10.439 4.736 -30.336 1.00 28.23 H +ATOM 3317 HG21 THR A1096 -9.410 6.848 -31.821 1.00 33.74 H +ATOM 3318 HG22 THR A1096 -10.359 6.687 -33.292 1.00 33.74 H +ATOM 3319 HG23 THR A1096 -11.150 6.635 -31.735 1.00 33.74 H +ATOM 3320 N HIS A1097 -11.615 1.642 -32.103 1.00 31.69 N +ATOM 3321 CA HIS A1097 -11.381 0.204 -31.900 1.00 31.97 C +ATOM 3322 C HIS A1097 -10.062 -0.104 -31.165 1.00 33.69 C +ATOM 3323 O HIS A1097 -9.451 -1.146 -31.396 1.00 33.12 O +ATOM 3324 CB HIS A1097 -11.554 -0.597 -33.212 1.00 35.14 C +ATOM 3325 CG HIS A1097 -12.938 -0.518 -33.800 1.00 40.55 C +ATOM 3326 ND1 HIS A1097 -13.357 0.538 -34.617 1.00 43.74 N +ATOM 3327 CD2 HIS A1097 -13.982 -1.406 -33.645 1.00 43.94 C +ATOM 3328 CE1 HIS A1097 -14.618 0.257 -34.914 1.00 44.01 C +ATOM 3329 NE2 HIS A1097 -15.038 -0.885 -34.369 1.00 44.57 N +ATOM 3330 H HIS A1097 -12.425 2.012 -31.624 1.00 31.69 H +ATOM 3331 HA HIS A1097 -12.165 -0.123 -31.216 1.00 31.97 H +ATOM 3332 HB3 HIS A1097 -11.341 -1.653 -33.046 1.00 35.14 H +ATOM 3333 HB2 HIS A1097 -10.844 -0.264 -33.967 1.00 35.14 H +ATOM 3334 HD2 HIS A1097 -14.056 -2.331 -33.092 1.00 43.94 H +ATOM 3335 HE1 HIS A1097 -15.240 0.888 -35.531 1.00 44.01 H +ATOM 3336 HE2 HIS A1097 -15.963 -1.292 -34.456 1.00 44.57 H +ATOM 3337 N CYS A1098 -9.658 0.828 -30.285 1.00 28.70 N +ATOM 3338 CA CYS A1098 -8.478 0.796 -29.422 1.00 27.70 C +ATOM 3339 C CYS A1098 -7.155 0.700 -30.208 1.00 30.22 C +ATOM 3340 O CYS A1098 -6.198 0.093 -29.727 1.00 27.75 O +ATOM 3341 CB CYS A1098 -8.592 -0.268 -28.315 1.00 27.86 C +ATOM 3342 SG CYS A1098 -10.039 0.093 -27.277 1.00 31.27 S +ATOM 3343 H CYS A1098 -10.254 1.635 -30.150 1.00 28.70 H +ATOM 3344 HA CYS A1098 -8.453 1.767 -28.928 1.00 27.70 H +ATOM 3345 HB3 CYS A1098 -7.706 -0.255 -27.682 1.00 27.86 H +ATOM 3346 HB2 CYS A1098 -8.685 -1.270 -28.729 1.00 27.86 H +ATOM 3347 HG CYS A1098 -10.014 -1.059 -26.600 1.00 31.27 H +ATOM 3348 N ASP A1099 -7.130 1.319 -31.404 1.00 28.20 N +ATOM 3349 CA ASP A1099 -5.967 1.423 -32.283 1.00 29.09 C +ATOM 3350 C ASP A1099 -4.871 2.253 -31.590 1.00 32.04 C +ATOM 3351 O ASP A1099 -5.137 3.386 -31.191 1.00 29.80 O +ATOM 3352 CB ASP A1099 -6.383 2.011 -33.658 1.00 31.01 C +ATOM 3353 CG ASP A1099 -5.334 2.058 -34.786 1.00 42.86 C +ATOM 3354 OD1 ASP A1099 -4.205 1.546 -34.615 1.00 44.82 O +ATOM 3355 OD2 ASP A1099 -5.706 2.585 -35.856 1.00 55.40 O1- +ATOM 3356 H ASP A1099 -7.968 1.778 -31.732 1.00 28.20 H +ATOM 3357 HA ASP A1099 -5.599 0.408 -32.440 1.00 29.09 H +ATOM 3358 HB3 ASP A1099 -6.782 3.015 -33.511 1.00 31.01 H +ATOM 3359 HB2 ASP A1099 -7.232 1.442 -34.033 1.00 31.01 H +ATOM 3360 N SER A1100 -3.673 1.660 -31.457 1.00 30.26 N +ATOM 3361 CA SER A1100 -2.501 2.255 -30.813 1.00 30.30 C +ATOM 3362 C SER A1100 -2.007 3.557 -31.475 1.00 34.31 C +ATOM 3363 O SER A1100 -1.544 4.442 -30.757 1.00 34.07 O +ATOM 3364 CB SER A1100 -1.395 1.186 -30.688 1.00 35.14 C +ATOM 3365 OG SER A1100 -0.812 0.863 -31.936 1.00 49.21 O +ATOM 3366 H SER A1100 -3.544 0.722 -31.816 1.00 30.26 H +ATOM 3367 HA SER A1100 -2.810 2.508 -29.798 1.00 30.30 H +ATOM 3368 HB3 SER A1100 -1.789 0.278 -30.231 1.00 35.14 H +ATOM 3369 HB2 SER A1100 -0.604 1.548 -30.030 1.00 35.14 H +ATOM 3370 HG SER A1100 -0.171 0.161 -31.804 1.00 49.21 H +ATOM 3371 N SER A1101 -2.165 3.675 -32.806 1.00 31.40 N +ATOM 3372 CA SER A1101 -1.859 4.886 -33.572 1.00 31.93 C +ATOM 3373 C SER A1101 -2.867 6.034 -33.343 1.00 35.91 C +ATOM 3374 O SER A1101 -2.506 7.191 -33.557 1.00 36.89 O +ATOM 3375 CB SER A1101 -1.697 4.523 -35.064 1.00 36.50 C +ATOM 3376 OG SER A1101 -2.929 4.318 -35.729 1.00 42.36 O +ATOM 3377 H SER A1101 -2.558 2.902 -33.327 1.00 31.40 H +ATOM 3378 HA SER A1101 -0.886 5.241 -33.226 1.00 31.93 H +ATOM 3379 HB3 SER A1101 -1.073 3.636 -35.181 1.00 36.50 H +ATOM 3380 HB2 SER A1101 -1.179 5.333 -35.580 1.00 36.50 H +ATOM 3381 HG SER A1101 -3.291 3.462 -35.475 1.00 42.36 H +ATOM 3382 N GLN A1102 -4.091 5.700 -32.898 1.00 29.85 N +ATOM 3383 CA GLN A1102 -5.158 6.649 -32.581 1.00 28.09 C +ATOM 3384 C GLN A1102 -5.318 6.881 -31.067 1.00 29.55 C +ATOM 3385 O GLN A1102 -6.205 7.643 -30.690 1.00 27.73 O +ATOM 3386 CB GLN A1102 -6.487 6.161 -33.198 1.00 29.07 C +ATOM 3387 CG GLN A1102 -6.456 6.050 -34.735 1.00 37.94 C +ATOM 3388 CD GLN A1102 -7.845 5.775 -35.316 1.00 47.98 C +ATOM 3389 OE1 GLN A1102 -8.717 6.640 -35.277 1.00 45.96 O +ATOM 3390 NE2 GLN A1102 -8.059 4.581 -35.868 1.00 43.70 N +ATOM 3391 H GLN A1102 -4.308 4.725 -32.740 1.00 29.85 H +ATOM 3392 HA GLN A1102 -4.936 7.620 -33.021 1.00 28.09 H +ATOM 3393 HB3 GLN A1102 -7.282 6.854 -32.919 1.00 29.07 H +ATOM 3394 HB2 GLN A1102 -6.763 5.199 -32.764 1.00 29.07 H +ATOM 3395 HG3 GLN A1102 -5.755 5.277 -35.050 1.00 37.94 H +ATOM 3396 HG2 GLN A1102 -6.095 6.985 -35.164 1.00 37.94 H +ATOM 3397 HE22 GLN A1102 -8.960 4.358 -36.266 1.00 43.70 H +ATOM 3398 HE21 GLN A1102 -7.316 3.889 -35.901 1.00 43.70 H +ATOM 3399 N SER A1103 -4.496 6.236 -30.218 1.00 26.76 N +ATOM 3400 CA SER A1103 -4.636 6.266 -28.758 1.00 25.27 C +ATOM 3401 C SER A1103 -4.416 7.666 -28.134 1.00 28.60 C +ATOM 3402 O SER A1103 -3.673 8.456 -28.717 1.00 28.62 O +ATOM 3403 CB SER A1103 -3.733 5.180 -28.139 1.00 27.32 C +ATOM 3404 OG SER A1103 -2.362 5.531 -28.107 1.00 35.29 O +ATOM 3405 H SER A1103 -3.775 5.633 -30.588 1.00 26.76 H +ATOM 3406 HA SER A1103 -5.664 5.963 -28.587 1.00 25.27 H +ATOM 3407 HB3 SER A1103 -3.855 4.235 -28.667 1.00 27.32 H +ATOM 3408 HB2 SER A1103 -4.052 4.997 -27.114 1.00 27.32 H +ATOM 3409 HG SER A1103 -1.996 5.451 -28.995 1.00 35.29 H +ATOM 3410 N PRO A1104 -5.039 7.954 -26.962 1.00 25.17 N +ATOM 3411 CA PRO A1104 -4.893 9.264 -26.293 1.00 24.67 C +ATOM 3412 C PRO A1104 -3.456 9.762 -26.008 1.00 26.87 C +ATOM 3413 O PRO A1104 -3.206 10.927 -26.311 1.00 25.99 O +ATOM 3414 CB PRO A1104 -5.768 9.172 -25.030 1.00 26.01 C +ATOM 3415 CG PRO A1104 -6.761 8.063 -25.336 1.00 29.46 C +ATOM 3416 CD PRO A1104 -5.996 7.109 -26.241 1.00 25.85 C +ATOM 3417 HA PRO A1104 -5.359 9.984 -26.965 1.00 24.67 H +ATOM 3418 HB3 PRO A1104 -6.271 10.113 -24.806 1.00 26.01 H +ATOM 3419 HB2 PRO A1104 -5.186 8.913 -24.146 1.00 26.01 H +ATOM 3420 HG3 PRO A1104 -7.598 8.483 -25.894 1.00 29.46 H +ATOM 3421 HG2 PRO A1104 -7.161 7.577 -24.447 1.00 29.46 H +ATOM 3422 HD2 PRO A1104 -5.453 6.369 -25.652 1.00 25.85 H +ATOM 3423 HD3 PRO A1104 -6.704 6.583 -26.879 1.00 25.85 H +ATOM 3424 N PRO A1105 -2.512 8.903 -25.540 1.00 24.58 N +ATOM 3425 CA PRO A1105 -1.095 9.290 -25.409 1.00 24.76 C +ATOM 3426 C PRO A1105 -0.414 9.681 -26.728 1.00 29.78 C +ATOM 3427 O PRO A1105 0.275 10.696 -26.749 1.00 30.24 O +ATOM 3428 CB PRO A1105 -0.416 8.074 -24.751 1.00 25.88 C +ATOM 3429 CG PRO A1105 -1.547 7.335 -24.062 1.00 29.87 C +ATOM 3430 CD PRO A1105 -2.716 7.555 -25.010 1.00 25.57 C +ATOM 3431 HA PRO A1105 -1.051 10.139 -24.727 1.00 24.76 H +ATOM 3432 HB3 PRO A1105 0.372 8.361 -24.055 1.00 25.88 H +ATOM 3433 HB2 PRO A1105 0.031 7.420 -25.501 1.00 25.88 H +ATOM 3434 HG3 PRO A1105 -1.760 7.813 -23.106 1.00 29.87 H +ATOM 3435 HG2 PRO A1105 -1.332 6.283 -23.876 1.00 29.87 H +ATOM 3436 HD2 PRO A1105 -2.673 6.841 -25.829 1.00 25.57 H +ATOM 3437 HD3 PRO A1105 -3.660 7.421 -24.492 1.00 25.57 H +ATOM 3438 N THR A1106 -0.644 8.900 -27.798 1.00 26.99 N +ATOM 3439 CA THR A1106 -0.097 9.143 -29.134 1.00 27.47 C +ATOM 3440 C THR A1106 -0.563 10.483 -29.734 1.00 31.84 C +ATOM 3441 O THR A1106 0.284 11.263 -30.166 1.00 32.09 O +ATOM 3442 CB THR A1106 -0.470 7.995 -30.114 1.00 33.90 C +ATOM 3443 OG1 THR A1106 0.169 6.812 -29.680 1.00 35.61 O +ATOM 3444 CG2 THR A1106 -0.091 8.228 -31.588 1.00 32.59 C +ATOM 3445 H THR A1106 -1.225 8.079 -27.705 1.00 26.99 H +ATOM 3446 HA THR A1106 0.990 9.178 -29.039 1.00 27.47 H +ATOM 3447 HB THR A1106 -1.542 7.801 -30.070 1.00 33.90 H +ATOM 3448 HG1 THR A1106 1.077 6.817 -30.001 1.00 35.61 H +ATOM 3449 HG21 THR A1106 -0.167 7.307 -32.166 1.00 32.59 H +ATOM 3450 HG22 THR A1106 -0.747 8.958 -32.064 1.00 32.59 H +ATOM 3451 HG23 THR A1106 0.931 8.592 -31.679 1.00 32.59 H +ATOM 3452 N LYS A1107 -1.881 10.734 -29.718 1.00 27.48 N +ATOM 3453 CA LYS A1107 -2.498 11.914 -30.325 1.00 28.03 C +ATOM 3454 C LYS A1107 -2.239 13.220 -29.553 1.00 32.41 C +ATOM 3455 O LYS A1107 -2.116 14.260 -30.199 1.00 32.90 O +ATOM 3456 CB LYS A1107 -4.004 11.655 -30.524 1.00 29.00 C +ATOM 3457 CG LYS A1107 -4.332 10.463 -31.452 1.00 40.91 C +ATOM 3458 CD LYS A1107 -3.799 10.551 -32.893 1.00 47.46 C +ATOM 3459 CE LYS A1107 -4.424 11.691 -33.711 1.00 56.00 C +ATOM 3460 NZ LYS A1107 -3.900 11.720 -35.087 1.00 65.65 N1+ +ATOM 3461 H LYS A1107 -2.514 10.051 -29.322 1.00 27.48 H +ATOM 3462 HA LYS A1107 -2.042 12.056 -31.305 1.00 28.03 H +ATOM 3463 HB3 LYS A1107 -4.486 12.553 -30.910 1.00 29.00 H +ATOM 3464 HB2 LYS A1107 -4.459 11.467 -29.551 1.00 29.00 H +ATOM 3465 HG3 LYS A1107 -5.412 10.339 -31.485 1.00 40.91 H +ATOM 3466 HG2 LYS A1107 -3.949 9.546 -31.011 1.00 40.91 H +ATOM 3467 HD3 LYS A1107 -3.999 9.605 -33.395 1.00 47.46 H +ATOM 3468 HD2 LYS A1107 -2.713 10.638 -32.883 1.00 47.46 H +ATOM 3469 HE3 LYS A1107 -4.217 12.652 -33.244 1.00 56.00 H +ATOM 3470 HE2 LYS A1107 -5.507 11.575 -33.750 1.00 56.00 H +ATOM 3471 HZ1 LYS A1107 -2.898 11.867 -35.052 1.00 65.65 H +ATOM 3472 HZ2 LYS A1107 -4.094 10.843 -35.549 1.00 65.65 H +ATOM 3473 HZ3 LYS A1107 -4.332 12.478 -35.596 1.00 65.65 H +ATOM 3474 N PHE A1108 -2.117 13.159 -28.214 1.00 27.91 N +ATOM 3475 CA PHE A1108 -1.728 14.312 -27.396 1.00 26.74 C +ATOM 3476 C PHE A1108 -0.225 14.638 -27.463 1.00 30.76 C +ATOM 3477 O PHE A1108 0.112 15.819 -27.437 1.00 31.53 O +ATOM 3478 CB PHE A1108 -2.223 14.161 -25.939 1.00 27.18 C +ATOM 3479 CG PHE A1108 -3.708 14.423 -25.709 1.00 27.38 C +ATOM 3480 CD1 PHE A1108 -4.294 15.643 -26.113 1.00 29.59 C +ATOM 3481 CD2 PHE A1108 -4.499 13.500 -24.989 1.00 28.32 C +ATOM 3482 CE1 PHE A1108 -5.631 15.902 -25.840 1.00 30.31 C +ATOM 3483 CE2 PHE A1108 -5.834 13.775 -24.728 1.00 29.39 C +ATOM 3484 CZ PHE A1108 -6.397 14.972 -25.151 1.00 28.52 C +ATOM 3485 H PHE A1108 -2.248 12.280 -27.730 1.00 27.91 H +ATOM 3486 HA PHE A1108 -2.218 15.191 -27.816 1.00 26.74 H +ATOM 3487 HB3 PHE A1108 -1.680 14.842 -25.282 1.00 27.18 H +ATOM 3488 HB2 PHE A1108 -1.976 13.159 -25.590 1.00 27.18 H +ATOM 3489 HD1 PHE A1108 -3.706 16.390 -26.627 1.00 29.59 H +ATOM 3490 HD2 PHE A1108 -4.075 12.576 -24.629 1.00 28.32 H +ATOM 3491 HE1 PHE A1108 -6.075 16.835 -26.155 1.00 30.31 H +ATOM 3492 HE2 PHE A1108 -6.435 13.059 -24.188 1.00 29.39 H +ATOM 3493 HZ PHE A1108 -7.436 15.180 -24.942 1.00 28.52 H +ATOM 3494 N LEU A1109 0.650 13.622 -27.593 1.00 27.77 N +ATOM 3495 CA LEU A1109 2.100 13.811 -27.752 1.00 28.51 C +ATOM 3496 C LEU A1109 2.516 14.255 -29.168 1.00 34.25 C +ATOM 3497 O LEU A1109 3.626 14.765 -29.315 1.00 34.88 O +ATOM 3498 CB LEU A1109 2.860 12.542 -27.309 1.00 28.11 C +ATOM 3499 CG LEU A1109 2.842 12.310 -25.779 1.00 32.10 C +ATOM 3500 CD1 LEU A1109 3.338 10.893 -25.419 1.00 30.45 C +ATOM 3501 CD2 LEU A1109 3.605 13.410 -25.010 1.00 36.17 C +ATOM 3502 H LEU A1109 0.319 12.666 -27.597 1.00 27.77 H +ATOM 3503 HA LEU A1109 2.404 14.626 -27.095 1.00 28.51 H +ATOM 3504 HB3 LEU A1109 3.901 12.592 -27.634 1.00 28.11 H +ATOM 3505 HB2 LEU A1109 2.437 11.682 -27.830 1.00 28.11 H +ATOM 3506 HG LEU A1109 1.804 12.362 -25.449 1.00 32.10 H +ATOM 3507 HD11 LEU A1109 2.593 10.366 -24.822 1.00 30.45 H +ATOM 3508 HD12 LEU A1109 3.521 10.287 -26.306 1.00 30.45 H +ATOM 3509 HD13 LEU A1109 4.266 10.903 -24.848 1.00 30.45 H +ATOM 3510 HD21 LEU A1109 4.230 13.014 -24.210 1.00 36.17 H +ATOM 3511 HD22 LEU A1109 4.255 13.987 -25.667 1.00 36.17 H +ATOM 3512 HD23 LEU A1109 2.908 14.111 -24.549 1.00 36.17 H +ATOM 3513 N GLU A1110 1.626 14.116 -30.166 1.00 32.96 N +ATOM 3514 CA GLU A1110 1.757 14.754 -31.480 1.00 35.44 C +ATOM 3515 C GLU A1110 1.538 16.278 -31.416 1.00 38.81 C +ATOM 3516 O GLU A1110 2.214 17.004 -32.143 1.00 38.69 O +ATOM 3517 CB GLU A1110 0.776 14.106 -32.477 1.00 36.99 C +ATOM 3518 CG GLU A1110 1.234 12.724 -32.992 1.00 47.30 C +ATOM 3519 CD GLU A1110 0.184 11.941 -33.801 1.00 70.21 C +ATOM 3520 OE1 GLU A1110 -0.902 12.492 -34.093 1.00 64.58 O +ATOM 3521 OE2 GLU A1110 0.490 10.773 -34.124 1.00 65.32 O1- +ATOM 3522 H GLU A1110 0.748 13.648 -29.986 1.00 32.96 H +ATOM 3523 HA GLU A1110 2.773 14.593 -31.847 1.00 35.44 H +ATOM 3524 HB3 GLU A1110 0.605 14.769 -33.327 1.00 36.99 H +ATOM 3525 HB2 GLU A1110 -0.188 13.999 -31.980 1.00 36.99 H +ATOM 3526 HG3 GLU A1110 1.562 12.107 -32.159 1.00 47.30 H +ATOM 3527 HG2 GLU A1110 2.115 12.857 -33.622 1.00 47.30 H +ATOM 3528 N LEU A1111 0.621 16.731 -30.540 1.00 35.92 N +ATOM 3529 CA LEU A1111 0.318 18.147 -30.309 1.00 37.14 C +ATOM 3530 C LEU A1111 1.372 18.829 -29.418 1.00 40.62 C +ATOM 3531 O LEU A1111 1.740 19.971 -29.693 1.00 41.55 O +ATOM 3532 CB LEU A1111 -1.087 18.286 -29.673 1.00 36.92 C +ATOM 3533 CG LEU A1111 -2.260 17.801 -30.555 1.00 41.87 C +ATOM 3534 CD1 LEU A1111 -3.572 17.728 -29.743 1.00 41.05 C +ATOM 3535 CD2 LEU A1111 -2.410 18.636 -31.845 1.00 44.81 C +ATOM 3536 H LEU A1111 0.107 16.071 -29.975 1.00 35.92 H +ATOM 3537 HA LEU A1111 0.322 18.664 -31.270 1.00 37.14 H +ATOM 3538 HB3 LEU A1111 -1.265 19.329 -29.406 1.00 36.92 H +ATOM 3539 HB2 LEU A1111 -1.100 17.738 -28.731 1.00 36.92 H +ATOM 3540 HG LEU A1111 -2.038 16.781 -30.864 1.00 41.87 H +ATOM 3541 HD11 LEU A1111 -4.009 16.731 -29.803 1.00 41.05 H +ATOM 3542 HD12 LEU A1111 -3.410 17.942 -28.686 1.00 41.05 H +ATOM 3543 HD13 LEU A1111 -4.325 18.435 -30.089 1.00 41.05 H +ATOM 3544 HD21 LEU A1111 -3.440 18.931 -32.041 1.00 44.81 H +ATOM 3545 HD22 LEU A1111 -1.820 19.552 -31.810 1.00 44.81 H +ATOM 3546 HD23 LEU A1111 -2.074 18.066 -32.712 1.00 44.81 H +ATOM 3547 N ILE A1112 1.827 18.124 -28.368 1.00 34.80 N +ATOM 3548 CA ILE A1112 2.759 18.628 -27.356 1.00 34.93 C +ATOM 3549 C ILE A1112 4.230 18.572 -27.815 1.00 40.11 C +ATOM 3550 O ILE A1112 4.994 19.473 -27.471 1.00 41.74 O +ATOM 3551 CB ILE A1112 2.614 17.819 -26.027 1.00 36.99 C +ATOM 3552 CG1 ILE A1112 1.226 18.047 -25.391 1.00 35.84 C +ATOM 3553 CG2 ILE A1112 3.707 18.065 -24.963 1.00 37.00 C +ATOM 3554 CD1 ILE A1112 0.810 16.938 -24.417 1.00 35.00 C +ATOM 3555 H ILE A1112 1.452 17.199 -28.201 1.00 34.80 H +ATOM 3556 HA ILE A1112 2.514 19.672 -27.148 1.00 34.93 H +ATOM 3557 HB ILE A1112 2.677 16.764 -26.294 1.00 36.99 H +ATOM 3558 HG13 ILE A1112 0.460 18.112 -26.162 1.00 35.84 H +ATOM 3559 HG12 ILE A1112 1.208 19.011 -24.881 1.00 35.84 H +ATOM 3560 HG21 ILE A1112 3.496 17.533 -24.036 1.00 37.00 H +ATOM 3561 HG22 ILE A1112 4.688 17.726 -25.289 1.00 37.00 H +ATOM 3562 HG23 ILE A1112 3.786 19.123 -24.726 1.00 37.00 H +ATOM 3563 HD11 ILE A1112 -0.272 16.926 -24.293 1.00 35.00 H +ATOM 3564 HD12 ILE A1112 1.106 15.951 -24.774 1.00 35.00 H +ATOM 3565 HD13 ILE A1112 1.261 17.086 -23.438 1.00 35.00 H +ATOM 3566 N GLY A1113 4.598 17.509 -28.549 1.00 36.74 N +ATOM 3567 CA GLY A1113 5.986 17.125 -28.807 1.00 38.59 C +ATOM 3568 C GLY A1113 6.458 16.152 -27.712 1.00 41.94 C +ATOM 3569 O GLY A1113 5.723 15.847 -26.772 1.00 39.30 O +ATOM 3570 H GLY A1113 3.896 16.830 -28.812 1.00 36.74 H +ATOM 3571 HA3 GLY A1113 6.645 17.994 -28.846 1.00 38.59 H +ATOM 3572 HA2 GLY A1113 6.038 16.630 -29.777 1.00 38.59 H +ATOM 3573 N ILE A1114 7.697 15.653 -27.849 1.00 41.30 N +ATOM 3574 CA ILE A1114 8.305 14.668 -26.942 1.00 41.02 C +ATOM 3575 C ILE A1114 9.607 15.170 -26.275 1.00 47.14 C +ATOM 3576 O ILE A1114 10.221 14.411 -25.524 1.00 48.03 O +ATOM 3577 CB ILE A1114 8.578 13.319 -27.673 1.00 43.24 C +ATOM 3578 CG1 ILE A1114 9.541 13.438 -28.881 1.00 44.89 C +ATOM 3579 CG2 ILE A1114 7.256 12.629 -28.061 1.00 42.60 C +ATOM 3580 CD1 ILE A1114 10.047 12.085 -29.402 1.00 50.07 C +ATOM 3581 H ILE A1114 8.254 15.920 -28.647 1.00 41.30 H +ATOM 3582 HA ILE A1114 7.632 14.455 -26.109 1.00 41.02 H +ATOM 3583 HB ILE A1114 9.054 12.649 -26.955 1.00 43.24 H +ATOM 3584 HG13 ILE A1114 10.411 14.042 -28.624 1.00 44.89 H +ATOM 3585 HG12 ILE A1114 9.044 13.969 -29.694 1.00 44.89 H +ATOM 3586 HG21 ILE A1114 7.425 11.627 -28.454 1.00 42.60 H +ATOM 3587 HG22 ILE A1114 6.597 12.528 -27.198 1.00 42.60 H +ATOM 3588 HG23 ILE A1114 6.716 13.194 -28.821 1.00 42.60 H +ATOM 3589 HD11 ILE A1114 10.937 12.217 -30.019 1.00 50.07 H +ATOM 3590 HD12 ILE A1114 10.311 11.414 -28.585 1.00 50.07 H +ATOM 3591 HD13 ILE A1114 9.294 11.590 -30.015 1.00 50.07 H +ATOM 3592 N ALA A1115 9.991 16.433 -26.530 1.00 42.26 N +ATOM 3593 CA ALA A1115 11.194 17.067 -25.991 1.00 43.31 C +ATOM 3594 C ALA A1115 10.820 18.401 -25.327 1.00 48.36 C +ATOM 3595 O ALA A1115 11.240 19.462 -25.791 1.00 49.43 O +ATOM 3596 CB ALA A1115 12.223 17.220 -27.127 1.00 45.24 C +ATOM 3597 H ALA A1115 9.424 17.010 -27.133 1.00 42.26 H +ATOM 3598 HA ALA A1115 11.645 16.449 -25.212 1.00 43.31 H +ATOM 3599 HB1 ALA A1115 13.140 17.690 -26.770 1.00 45.24 H +ATOM 3600 HB2 ALA A1115 12.495 16.247 -27.537 1.00 45.24 H +ATOM 3601 HB3 ALA A1115 11.832 17.826 -27.946 1.00 45.24 H +ATOM 3602 N GLN A1116 10.012 18.309 -24.258 1.00 44.35 N +ATOM 3603 CA GLN A1116 9.464 19.450 -23.516 1.00 44.30 C +ATOM 3604 C GLN A1116 9.925 19.478 -22.046 1.00 49.79 C +ATOM 3605 O GLN A1116 9.447 20.327 -21.292 1.00 49.85 O +ATOM 3606 CB GLN A1116 7.918 19.420 -23.615 1.00 44.27 C +ATOM 3607 CG GLN A1116 7.347 19.441 -25.051 1.00 53.29 C +ATOM 3608 CD GLN A1116 7.835 20.599 -25.930 1.00 72.09 C +ATOM 3609 OE1 GLN A1116 8.158 20.396 -27.098 1.00 65.48 O +ATOM 3610 NE2 GLN A1116 7.883 21.818 -25.389 1.00 65.05 N +ATOM 3611 H GLN A1116 9.716 17.395 -23.938 1.00 44.35 H +ATOM 3612 HA GLN A1116 9.827 20.386 -23.941 1.00 44.30 H +ATOM 3613 HB3 GLN A1116 7.499 20.263 -23.064 1.00 44.27 H +ATOM 3614 HB2 GLN A1116 7.541 18.532 -23.106 1.00 44.27 H +ATOM 3615 HG3 GLN A1116 6.262 19.478 -25.007 1.00 53.29 H +ATOM 3616 HG2 GLN A1116 7.588 18.503 -25.555 1.00 53.29 H +ATOM 3617 HE22 GLN A1116 8.200 22.601 -25.942 1.00 65.05 H +ATOM 3618 HE21 GLN A1116 7.607 21.967 -24.430 1.00 65.05 H +ATOM 3619 N GLY A1117 10.844 18.574 -21.657 1.00 46.41 N +ATOM 3620 CA GLY A1117 11.368 18.465 -20.296 1.00 44.66 C +ATOM 3621 C GLY A1117 10.279 17.930 -19.358 1.00 42.63 C +ATOM 3622 O GLY A1117 9.610 16.945 -19.673 1.00 37.23 O +ATOM 3623 H GLY A1117 11.190 17.910 -22.334 1.00 46.41 H +ATOM 3624 HA3 GLY A1117 11.738 19.434 -19.957 1.00 44.66 H +ATOM 3625 HA2 GLY A1117 12.213 17.776 -20.293 1.00 44.66 H +ATOM 3626 N GLN A1118 10.122 18.593 -18.202 1.00 39.82 N +ATOM 3627 CA GLN A1118 9.103 18.311 -17.187 1.00 38.37 C +ATOM 3628 C GLN A1118 7.702 18.861 -17.532 1.00 40.30 C +ATOM 3629 O GLN A1118 6.772 18.611 -16.767 1.00 41.07 O +ATOM 3630 CB GLN A1118 9.579 18.887 -15.835 1.00 41.27 C +ATOM 3631 CG GLN A1118 10.836 18.198 -15.270 1.00 52.25 C +ATOM 3632 CD GLN A1118 11.326 18.877 -13.990 1.00 66.80 C +ATOM 3633 OE1 GLN A1118 11.669 20.058 -14.005 1.00 64.29 O +ATOM 3634 NE2 GLN A1118 11.383 18.133 -12.884 1.00 50.92 N +ATOM 3635 H GLN A1118 10.710 19.396 -18.014 1.00 39.82 H +ATOM 3636 HA GLN A1118 9.006 17.229 -17.079 1.00 38.37 H +ATOM 3637 HB3 GLN A1118 8.784 18.797 -15.092 1.00 41.27 H +ATOM 3638 HB2 GLN A1118 9.757 19.958 -15.946 1.00 41.27 H +ATOM 3639 HG3 GLN A1118 11.650 18.234 -15.995 1.00 52.25 H +ATOM 3640 HG2 GLN A1118 10.632 17.142 -15.085 1.00 52.25 H +ATOM 3641 HE22 GLN A1118 11.710 18.541 -12.020 1.00 50.92 H +ATOM 3642 HE21 GLN A1118 11.099 17.164 -12.899 1.00 50.92 H +ATOM 3643 N MET A1119 7.569 19.615 -18.638 1.00 34.93 N +ATOM 3644 CA MET A1119 6.375 20.393 -18.980 1.00 34.58 C +ATOM 3645 C MET A1119 5.309 19.636 -19.797 1.00 34.58 C +ATOM 3646 O MET A1119 4.432 20.303 -20.340 1.00 34.71 O +ATOM 3647 CB MET A1119 6.788 21.702 -19.694 1.00 38.63 C +ATOM 3648 CG MET A1119 7.827 22.543 -18.940 1.00 44.95 C +ATOM 3649 SD MET A1119 8.154 24.140 -19.731 1.00 52.97 S +ATOM 3650 CE MET A1119 9.330 24.826 -18.536 1.00 51.70 C +ATOM 3651 H MET A1119 8.371 19.756 -19.237 1.00 34.93 H +ATOM 3652 HA MET A1119 5.885 20.689 -18.052 1.00 34.58 H +ATOM 3653 HB3 MET A1119 5.908 22.328 -19.853 1.00 38.63 H +ATOM 3654 HB2 MET A1119 7.169 21.473 -20.690 1.00 38.63 H +ATOM 3655 HG3 MET A1119 8.773 22.006 -18.862 1.00 44.95 H +ATOM 3656 HG2 MET A1119 7.483 22.729 -17.922 1.00 44.95 H +ATOM 3657 HE1 MET A1119 9.653 25.818 -18.853 1.00 51.70 H +ATOM 3658 HE2 MET A1119 8.868 24.912 -17.553 1.00 51.70 H +ATOM 3659 HE3 MET A1119 10.208 24.186 -18.455 1.00 51.70 H +ATOM 3660 N THR A1120 5.357 18.294 -19.887 1.00 29.62 N +ATOM 3661 CA THR A1120 4.382 17.500 -20.655 1.00 28.01 C +ATOM 3662 C THR A1120 2.922 17.666 -20.173 1.00 30.48 C +ATOM 3663 O THR A1120 2.044 17.875 -21.008 1.00 31.09 O +ATOM 3664 CB THR A1120 4.714 15.984 -20.657 1.00 32.05 C +ATOM 3665 OG1 THR A1120 6.047 15.796 -21.089 1.00 33.94 O +ATOM 3666 CG2 THR A1120 3.806 15.122 -21.558 1.00 34.10 C +ATOM 3667 H THR A1120 6.099 17.780 -19.434 1.00 29.62 H +ATOM 3668 HA THR A1120 4.429 17.856 -21.687 1.00 28.01 H +ATOM 3669 HB THR A1120 4.654 15.596 -19.640 1.00 32.05 H +ATOM 3670 HG1 THR A1120 6.086 15.941 -22.042 1.00 33.94 H +ATOM 3671 HG21 THR A1120 4.157 14.090 -21.595 1.00 34.10 H +ATOM 3672 HG22 THR A1120 2.778 15.093 -21.197 1.00 34.10 H +ATOM 3673 HG23 THR A1120 3.789 15.501 -22.580 1.00 34.10 H +ATOM 3674 N VAL A1121 2.703 17.617 -18.846 1.00 28.98 N +ATOM 3675 CA VAL A1121 1.392 17.805 -18.215 1.00 29.28 C +ATOM 3676 C VAL A1121 0.911 19.271 -18.238 1.00 34.54 C +ATOM 3677 O VAL A1121 -0.286 19.494 -18.411 1.00 33.68 O +ATOM 3678 CB VAL A1121 1.377 17.249 -16.760 1.00 33.58 C +ATOM 3679 CG1 VAL A1121 0.177 17.681 -15.888 1.00 33.26 C +ATOM 3680 CG2 VAL A1121 1.457 15.714 -16.784 1.00 32.88 C +ATOM 3681 H VAL A1121 3.476 17.441 -18.218 1.00 28.98 H +ATOM 3682 HA VAL A1121 0.669 17.224 -18.791 1.00 29.28 H +ATOM 3683 HB VAL A1121 2.275 17.603 -16.253 1.00 33.58 H +ATOM 3684 HG11 VAL A1121 0.163 17.145 -14.938 1.00 33.26 H +ATOM 3685 HG12 VAL A1121 0.205 18.744 -15.644 1.00 33.26 H +ATOM 3686 HG13 VAL A1121 -0.765 17.478 -16.396 1.00 33.26 H +ATOM 3687 HG21 VAL A1121 1.485 15.304 -15.775 1.00 32.88 H +ATOM 3688 HG22 VAL A1121 0.594 15.285 -17.294 1.00 32.88 H +ATOM 3689 HG23 VAL A1121 2.350 15.362 -17.300 1.00 32.88 H +ATOM 3690 N LEU A1122 1.842 20.235 -18.115 1.00 32.43 N +ATOM 3691 CA LEU A1122 1.585 21.672 -18.261 1.00 33.01 C +ATOM 3692 C LEU A1122 1.097 22.028 -19.675 1.00 36.61 C +ATOM 3693 O LEU A1122 0.147 22.792 -19.813 1.00 35.87 O +ATOM 3694 CB LEU A1122 2.865 22.455 -17.871 1.00 35.17 C +ATOM 3695 CG LEU A1122 2.831 23.990 -18.076 1.00 42.10 C +ATOM 3696 CD1 LEU A1122 1.697 24.666 -17.275 1.00 43.87 C +ATOM 3697 CD2 LEU A1122 4.213 24.615 -17.788 1.00 45.28 C +ATOM 3698 H LEU A1122 2.802 19.973 -17.936 1.00 32.43 H +ATOM 3699 HA LEU A1122 0.790 21.933 -17.561 1.00 33.01 H +ATOM 3700 HB3 LEU A1122 3.699 22.056 -18.448 1.00 35.17 H +ATOM 3701 HB2 LEU A1122 3.102 22.243 -16.827 1.00 35.17 H +ATOM 3702 HG LEU A1122 2.640 24.189 -19.131 1.00 42.10 H +ATOM 3703 HD11 LEU A1122 2.023 25.573 -16.765 1.00 43.87 H +ATOM 3704 HD12 LEU A1122 0.879 24.954 -17.937 1.00 43.87 H +ATOM 3705 HD13 LEU A1122 1.280 24.004 -16.515 1.00 43.87 H +ATOM 3706 HD21 LEU A1122 4.553 25.207 -18.639 1.00 45.28 H +ATOM 3707 HD22 LEU A1122 4.206 25.272 -16.919 1.00 45.28 H +ATOM 3708 HD23 LEU A1122 4.975 23.858 -17.601 1.00 45.28 H +ATOM 3709 N ARG A1123 1.746 21.445 -20.692 1.00 32.17 N +ATOM 3710 CA ARG A1123 1.467 21.679 -22.105 1.00 32.60 C +ATOM 3711 C ARG A1123 0.200 20.951 -22.588 1.00 33.95 C +ATOM 3712 O ARG A1123 -0.493 21.472 -23.462 1.00 32.13 O +ATOM 3713 CB ARG A1123 2.736 21.303 -22.888 1.00 37.04 C +ATOM 3714 CG ARG A1123 2.892 21.997 -24.254 1.00 59.77 C +ATOM 3715 CD ARG A1123 4.363 22.141 -24.691 1.00 74.58 C +ATOM 3716 NE ARG A1123 5.119 23.067 -23.819 1.00 91.08 N +ATOM 3717 CZ ARG A1123 5.295 24.392 -23.966 1.00107.84 C +ATOM 3718 NH1 ARG A1123 4.844 25.057 -25.040 1.00 95.16 N +ATOM 3719 NH2 ARG A1123 5.939 25.067 -23.005 1.00 96.44 N1+ +ATOM 3720 H ARG A1123 2.526 20.832 -20.491 1.00 32.17 H +ATOM 3721 HA ARG A1123 1.305 22.752 -22.216 1.00 32.60 H +ATOM 3722 HB3 ARG A1123 2.821 20.221 -22.983 1.00 37.04 H +ATOM 3723 HB2 ARG A1123 3.583 21.603 -22.275 1.00 37.04 H +ATOM 3724 HG3 ARG A1123 2.490 23.004 -24.140 1.00 59.77 H +ATOM 3725 HG2 ARG A1123 2.293 21.525 -25.033 1.00 59.77 H +ATOM 3726 HD3 ARG A1123 4.461 22.348 -25.756 1.00 74.58 H +ATOM 3727 HD2 ARG A1123 4.854 21.184 -24.530 1.00 74.58 H +ATOM 3728 HE ARG A1123 5.455 22.651 -22.962 1.00 91.08 H +ATOM 3729 HH12 ARG A1123 4.979 26.054 -25.126 1.00 95.16 H +ATOM 3730 HH11 ARG A1123 4.356 24.557 -25.770 1.00 95.16 H +ATOM 3731 HH22 ARG A1123 6.066 26.066 -23.080 1.00 96.44 H +ATOM 3732 HH21 ARG A1123 6.276 24.592 -22.179 1.00 96.44 H +ATOM 3733 N LEU A1124 -0.112 19.805 -21.954 1.00 29.63 N +ATOM 3734 CA LEU A1124 -1.388 19.096 -22.055 1.00 27.63 C +ATOM 3735 C LEU A1124 -2.543 19.916 -21.454 1.00 32.17 C +ATOM 3736 O LEU A1124 -3.597 19.988 -22.075 1.00 30.80 O +ATOM 3737 CB LEU A1124 -1.248 17.704 -21.396 1.00 26.83 C +ATOM 3738 CG LEU A1124 -2.516 16.823 -21.323 1.00 30.02 C +ATOM 3739 CD1 LEU A1124 -3.141 16.553 -22.711 1.00 28.94 C +ATOM 3740 CD2 LEU A1124 -2.214 15.525 -20.543 1.00 30.63 C +ATOM 3741 H LEU A1124 0.538 19.434 -21.274 1.00 29.63 H +ATOM 3742 HA LEU A1124 -1.597 18.955 -23.116 1.00 27.63 H +ATOM 3743 HB3 LEU A1124 -0.887 17.844 -20.379 1.00 26.83 H +ATOM 3744 HB2 LEU A1124 -0.465 17.145 -21.905 1.00 26.83 H +ATOM 3745 HG LEU A1124 -3.267 17.355 -20.740 1.00 30.02 H +ATOM 3746 HD11 LEU A1124 -3.376 15.502 -22.874 1.00 28.94 H +ATOM 3747 HD12 LEU A1124 -4.075 17.103 -22.827 1.00 28.94 H +ATOM 3748 HD13 LEU A1124 -2.488 16.857 -23.527 1.00 28.94 H +ATOM 3749 HD21 LEU A1124 -2.585 14.631 -21.039 1.00 30.63 H +ATOM 3750 HD22 LEU A1124 -1.145 15.379 -20.382 1.00 30.63 H +ATOM 3751 HD23 LEU A1124 -2.678 15.549 -19.558 1.00 30.63 H +ATOM 3752 N THR A1125 -2.322 20.555 -20.291 1.00 30.97 N +ATOM 3753 CA THR A1125 -3.292 21.455 -19.661 1.00 31.58 C +ATOM 3754 C THR A1125 -3.564 22.701 -20.526 1.00 35.29 C +ATOM 3755 O THR A1125 -4.728 23.042 -20.712 1.00 34.46 O +ATOM 3756 CB THR A1125 -2.835 21.924 -18.252 1.00 40.93 C +ATOM 3757 OG1 THR A1125 -2.671 20.794 -17.421 1.00 39.64 O +ATOM 3758 CG2 THR A1125 -3.789 22.892 -17.526 1.00 41.19 C +ATOM 3759 H THR A1125 -1.430 20.452 -19.824 1.00 30.97 H +ATOM 3760 HA THR A1125 -4.231 20.908 -19.552 1.00 31.58 H +ATOM 3761 HB THR A1125 -1.860 22.404 -18.322 1.00 40.93 H +ATOM 3762 HG1 THR A1125 -1.976 20.241 -17.794 1.00 39.64 H +ATOM 3763 HG21 THR A1125 -3.407 23.132 -16.535 1.00 41.19 H +ATOM 3764 HG22 THR A1125 -3.900 23.840 -18.054 1.00 41.19 H +ATOM 3765 HG23 THR A1125 -4.782 22.457 -17.407 1.00 41.19 H +ATOM 3766 N GLU A1126 -2.501 23.309 -21.082 1.00 33.17 N +ATOM 3767 CA GLU A1126 -2.564 24.482 -21.955 1.00 34.02 C +ATOM 3768 C GLU A1126 -3.392 24.279 -23.235 1.00 37.28 C +ATOM 3769 O GLU A1126 -4.216 25.145 -23.522 1.00 35.08 O +ATOM 3770 CB GLU A1126 -1.143 24.993 -22.262 1.00 36.83 C +ATOM 3771 CG GLU A1126 -0.506 25.747 -21.070 1.00 44.51 C +ATOM 3772 CD GLU A1126 0.990 26.084 -21.204 1.00 58.80 C +ATOM 3773 OE1 GLU A1126 1.481 26.792 -20.298 1.00 49.54 O +ATOM 3774 OE2 GLU A1126 1.634 25.646 -22.185 1.00 45.75 O1- +ATOM 3775 H GLU A1126 -1.572 22.967 -20.873 1.00 33.17 H +ATOM 3776 HA GLU A1126 -3.075 25.262 -21.386 1.00 34.02 H +ATOM 3777 HB3 GLU A1126 -1.153 25.649 -23.133 1.00 36.83 H +ATOM 3778 HB2 GLU A1126 -0.524 24.139 -22.539 1.00 36.83 H +ATOM 3779 HG3 GLU A1126 -0.641 25.179 -20.151 1.00 44.51 H +ATOM 3780 HG2 GLU A1126 -1.051 26.680 -20.919 1.00 44.51 H +ATOM 3781 N LEU A1127 -3.213 23.152 -23.954 1.00 34.11 N +ATOM 3782 CA LEU A1127 -4.014 22.845 -25.150 1.00 33.79 C +ATOM 3783 C LEU A1127 -5.491 22.548 -24.835 1.00 35.23 C +ATOM 3784 O LEU A1127 -6.346 22.943 -25.626 1.00 34.81 O +ATOM 3785 CB LEU A1127 -3.321 21.794 -26.055 1.00 33.69 C +ATOM 3786 CG LEU A1127 -3.213 20.336 -25.549 1.00 37.11 C +ATOM 3787 CD1 LEU A1127 -4.490 19.501 -25.786 1.00 35.27 C +ATOM 3788 CD2 LEU A1127 -1.978 19.633 -26.146 1.00 40.08 C +ATOM 3789 H LEU A1127 -2.527 22.467 -23.671 1.00 34.11 H +ATOM 3790 HA LEU A1127 -4.026 23.762 -25.744 1.00 33.79 H +ATOM 3791 HB3 LEU A1127 -2.314 22.167 -26.235 1.00 33.69 H +ATOM 3792 HB2 LEU A1127 -3.792 21.791 -27.039 1.00 33.69 H +ATOM 3793 HG LEU A1127 -3.048 20.386 -24.476 1.00 37.11 H +ATOM 3794 HD11 LEU A1127 -4.753 18.940 -24.890 1.00 35.27 H +ATOM 3795 HD12 LEU A1127 -5.351 20.108 -26.056 1.00 35.27 H +ATOM 3796 HD13 LEU A1127 -4.367 18.778 -26.592 1.00 35.27 H +ATOM 3797 HD21 LEU A1127 -2.160 18.585 -26.384 1.00 40.08 H +ATOM 3798 HD22 LEU A1127 -1.629 20.117 -27.058 1.00 40.08 H +ATOM 3799 HD23 LEU A1127 -1.156 19.657 -25.433 1.00 40.08 H +ATOM 3800 N LEU A1128 -5.779 21.925 -23.675 1.00 30.68 N +ATOM 3801 CA LEU A1128 -7.149 21.698 -23.203 1.00 29.82 C +ATOM 3802 C LEU A1128 -7.868 23.003 -22.796 1.00 37.95 C +ATOM 3803 O LEU A1128 -9.078 23.099 -23.001 1.00 37.53 O +ATOM 3804 CB LEU A1128 -7.182 20.679 -22.042 1.00 28.63 C +ATOM 3805 CG LEU A1128 -6.730 19.245 -22.401 1.00 31.65 C +ATOM 3806 CD1 LEU A1128 -6.586 18.387 -21.126 1.00 31.42 C +ATOM 3807 CD2 LEU A1128 -7.611 18.567 -23.467 1.00 31.56 C +ATOM 3808 H LEU A1128 -5.032 21.625 -23.062 1.00 30.68 H +ATOM 3809 HA LEU A1128 -7.696 21.275 -24.042 1.00 29.82 H +ATOM 3810 HB3 LEU A1128 -8.195 20.625 -21.642 1.00 28.63 H +ATOM 3811 HB2 LEU A1128 -6.560 21.058 -21.229 1.00 28.63 H +ATOM 3812 HG LEU A1128 -5.745 19.305 -22.850 1.00 31.65 H +ATOM 3813 HD11 LEU A1128 -5.551 18.077 -20.987 1.00 31.42 H +ATOM 3814 HD12 LEU A1128 -6.877 18.930 -20.226 1.00 31.42 H +ATOM 3815 HD13 LEU A1128 -7.192 17.482 -21.154 1.00 31.42 H +ATOM 3816 HD21 LEU A1128 -7.634 17.483 -23.356 1.00 31.56 H +ATOM 3817 HD22 LEU A1128 -8.638 18.927 -23.434 1.00 31.56 H +ATOM 3818 HD23 LEU A1128 -7.222 18.763 -24.465 1.00 31.56 H +ATOM 3819 N GLU A1129 -7.122 23.993 -22.277 1.00 37.30 N +ATOM 3820 CA GLU A1129 -7.628 25.331 -21.956 1.00 38.66 C +ATOM 3821 C GLU A1129 -7.904 26.197 -23.204 1.00 42.10 C +ATOM 3822 O GLU A1129 -8.801 27.037 -23.141 1.00 42.78 O +ATOM 3823 CB GLU A1129 -6.670 26.032 -20.967 1.00 41.41 C +ATOM 3824 CG GLU A1129 -6.622 25.388 -19.556 1.00 54.54 C +ATOM 3825 CD GLU A1129 -7.801 25.679 -18.612 1.00 90.90 C +ATOM 3826 OE1 GLU A1129 -8.677 26.501 -18.958 1.00 94.26 O +ATOM 3827 OE2 GLU A1129 -7.797 25.060 -17.524 1.00 91.13 O1- +ATOM 3828 H GLU A1129 -6.137 23.838 -22.107 1.00 37.30 H +ATOM 3829 HA GLU A1129 -8.591 25.207 -21.456 1.00 38.66 H +ATOM 3830 HB3 GLU A1129 -6.907 27.094 -20.890 1.00 41.41 H +ATOM 3831 HB2 GLU A1129 -5.662 26.002 -21.380 1.00 41.41 H +ATOM 3832 HG3 GLU A1129 -5.711 25.719 -19.055 1.00 54.54 H +ATOM 3833 HG2 GLU A1129 -6.543 24.307 -19.642 1.00 54.54 H +ATOM 3834 N ARG A1130 -7.195 25.946 -24.324 1.00 37.87 N +ATOM 3835 CA ARG A1130 -7.499 26.535 -25.639 1.00 37.84 C +ATOM 3836 C ARG A1130 -8.697 25.873 -26.351 1.00 41.63 C +ATOM 3837 O ARG A1130 -9.138 26.406 -27.369 1.00 42.60 O +ATOM 3838 CB ARG A1130 -6.265 26.498 -26.566 1.00 37.09 C +ATOM 3839 CG ARG A1130 -5.073 27.342 -26.080 1.00 43.14 C +ATOM 3840 CD ARG A1130 -4.008 27.588 -27.166 1.00 47.74 C +ATOM 3841 NE ARG A1130 -3.331 26.356 -27.610 1.00 51.85 N +ATOM 3842 CZ ARG A1130 -2.239 25.772 -27.088 1.00 60.61 C +ATOM 3843 NH1 ARG A1130 -1.609 26.260 -26.010 1.00 54.41 N +ATOM 3844 NH2 ARG A1130 -1.770 24.664 -27.673 1.00 41.74 N1+ +ATOM 3845 H ARG A1130 -6.458 25.254 -24.302 1.00 37.87 H +ATOM 3846 HA ARG A1130 -7.769 27.582 -25.491 1.00 37.84 H +ATOM 3847 HB3 ARG A1130 -6.554 26.873 -27.549 1.00 37.09 H +ATOM 3848 HB2 ARG A1130 -5.950 25.465 -26.724 1.00 37.09 H +ATOM 3849 HG3 ARG A1130 -4.609 26.808 -25.257 1.00 43.14 H +ATOM 3850 HG2 ARG A1130 -5.394 28.295 -25.660 1.00 43.14 H +ATOM 3851 HD3 ARG A1130 -3.308 28.371 -26.873 1.00 47.74 H +ATOM 3852 HD2 ARG A1130 -4.508 27.966 -28.058 1.00 47.74 H +ATOM 3853 HE ARG A1130 -3.771 25.882 -28.391 1.00 51.85 H +ATOM 3854 HH12 ARG A1130 -0.771 25.815 -25.659 1.00 54.41 H +ATOM 3855 HH11 ARG A1130 -1.965 27.084 -25.548 1.00 54.41 H +ATOM 3856 HH22 ARG A1130 -0.975 24.169 -27.288 1.00 41.74 H +ATOM 3857 HH21 ARG A1130 -2.235 24.287 -28.490 1.00 41.74 H +ATOM 3858 N GLY A1131 -9.207 24.747 -25.824 1.00 36.22 N +ATOM 3859 CA GLY A1131 -10.366 24.048 -26.376 1.00 35.40 C +ATOM 3860 C GLY A1131 -9.974 22.960 -27.390 1.00 37.10 C +ATOM 3861 O GLY A1131 -10.871 22.416 -28.034 1.00 36.00 O +ATOM 3862 H GLY A1131 -8.801 24.371 -24.979 1.00 36.22 H +ATOM 3863 HA3 GLY A1131 -11.060 24.747 -26.845 1.00 35.40 H +ATOM 3864 HA2 GLY A1131 -10.909 23.585 -25.554 1.00 35.40 H +ATOM 3865 N GLU A1132 -8.676 22.623 -27.532 1.00 32.13 N +ATOM 3866 CA GLU A1132 -8.205 21.537 -28.397 1.00 31.71 C +ATOM 3867 C GLU A1132 -8.525 20.162 -27.793 1.00 33.67 C +ATOM 3868 O GLU A1132 -8.257 19.935 -26.613 1.00 31.64 O +ATOM 3869 CB GLU A1132 -6.694 21.640 -28.670 1.00 33.82 C +ATOM 3870 CG GLU A1132 -6.247 22.982 -29.287 1.00 48.90 C +ATOM 3871 CD GLU A1132 -4.778 23.022 -29.744 1.00 65.96 C +ATOM 3872 OE1 GLU A1132 -4.195 21.948 -30.019 1.00 51.67 O +ATOM 3873 OE2 GLU A1132 -4.249 24.151 -29.826 1.00 68.15 O1- +ATOM 3874 H GLU A1132 -7.970 23.086 -26.976 1.00 32.13 H +ATOM 3875 HA GLU A1132 -8.720 21.634 -29.353 1.00 31.71 H +ATOM 3876 HB3 GLU A1132 -6.426 20.815 -29.330 1.00 33.82 H +ATOM 3877 HB2 GLU A1132 -6.135 21.468 -27.752 1.00 33.82 H +ATOM 3878 HG3 GLU A1132 -6.417 23.786 -28.569 1.00 48.90 H +ATOM 3879 HG2 GLU A1132 -6.869 23.208 -30.154 1.00 48.90 H +ATOM 3880 N ARG A1133 -9.080 19.277 -28.631 1.00 30.19 N +ATOM 3881 CA ARG A1133 -9.515 17.933 -28.263 1.00 28.71 C +ATOM 3882 C ARG A1133 -8.945 16.892 -29.230 1.00 31.32 C +ATOM 3883 O ARG A1133 -8.505 17.230 -30.331 1.00 31.52 O +ATOM 3884 CB ARG A1133 -11.063 17.876 -28.305 1.00 28.69 C +ATOM 3885 CG ARG A1133 -11.789 18.793 -27.309 1.00 29.69 C +ATOM 3886 CD ARG A1133 -11.505 18.482 -25.831 1.00 29.80 C +ATOM 3887 NE ARG A1133 -12.141 19.468 -24.947 1.00 30.88 N +ATOM 3888 CZ ARG A1133 -11.592 20.560 -24.393 1.00 38.38 C +ATOM 3889 NH1 ARG A1133 -10.317 20.890 -24.594 1.00 29.25 N +ATOM 3890 NH2 ARG A1133 -12.340 21.342 -23.612 1.00 30.33 N1+ +ATOM 3891 H ARG A1133 -9.223 19.537 -29.599 1.00 30.19 H +ATOM 3892 HA ARG A1133 -9.150 17.666 -27.270 1.00 28.71 H +ATOM 3893 HB3 ARG A1133 -11.401 16.856 -28.123 1.00 28.69 H +ATOM 3894 HB2 ARG A1133 -11.407 18.118 -29.312 1.00 28.69 H +ATOM 3895 HG3 ARG A1133 -12.848 18.588 -27.471 1.00 29.69 H +ATOM 3896 HG2 ARG A1133 -11.659 19.851 -27.538 1.00 29.69 H +ATOM 3897 HD3 ARG A1133 -10.455 18.302 -25.603 1.00 29.80 H +ATOM 3898 HD2 ARG A1133 -12.018 17.554 -25.586 1.00 29.80 H +ATOM 3899 HE ARG A1133 -13.129 19.321 -24.780 1.00 30.88 H +ATOM 3900 HH12 ARG A1133 -9.923 21.702 -24.135 1.00 29.25 H +ATOM 3901 HH11 ARG A1133 -9.733 20.336 -25.209 1.00 29.25 H +ATOM 3902 HH22 ARG A1133 -11.950 22.154 -23.148 1.00 30.33 H +ATOM 3903 HH21 ARG A1133 -13.297 21.079 -23.419 1.00 30.33 H +ATOM 3904 N LEU A1134 -9.055 15.621 -28.811 1.00 26.90 N +ATOM 3905 CA LEU A1134 -8.918 14.425 -29.644 1.00 26.48 C +ATOM 3906 C LEU A1134 -9.928 14.480 -30.815 1.00 31.07 C +ATOM 3907 O LEU A1134 -11.084 14.845 -30.581 1.00 29.22 O +ATOM 3908 CB LEU A1134 -9.227 13.190 -28.766 1.00 25.80 C +ATOM 3909 CG LEU A1134 -8.165 12.863 -27.694 1.00 28.43 C +ATOM 3910 CD1 LEU A1134 -8.717 11.905 -26.614 1.00 27.29 C +ATOM 3911 CD2 LEU A1134 -6.854 12.349 -28.325 1.00 31.24 C +ATOM 3912 H LEU A1134 -9.416 15.453 -27.879 1.00 26.90 H +ATOM 3913 HA LEU A1134 -7.887 14.406 -29.992 1.00 26.48 H +ATOM 3914 HB3 LEU A1134 -9.362 12.309 -29.394 1.00 25.80 H +ATOM 3915 HB2 LEU A1134 -10.189 13.350 -28.280 1.00 25.80 H +ATOM 3916 HG LEU A1134 -7.928 13.796 -27.183 1.00 28.43 H +ATOM 3917 HD11 LEU A1134 -8.755 12.402 -25.644 1.00 27.29 H +ATOM 3918 HD12 LEU A1134 -9.729 11.570 -26.840 1.00 27.29 H +ATOM 3919 HD13 LEU A1134 -8.107 11.011 -26.487 1.00 27.29 H +ATOM 3920 HD21 LEU A1134 -5.992 12.885 -27.926 1.00 31.24 H +ATOM 3921 HD22 LEU A1134 -6.697 11.289 -28.144 1.00 31.24 H +ATOM 3922 HD23 LEU A1134 -6.840 12.471 -29.408 1.00 31.24 H +ATOM 3923 N PRO A1135 -9.478 14.161 -32.051 1.00 29.27 N +ATOM 3924 CA PRO A1135 -10.320 14.269 -33.257 1.00 29.71 C +ATOM 3925 C PRO A1135 -11.484 13.263 -33.276 1.00 33.63 C +ATOM 3926 O PRO A1135 -11.495 12.320 -32.486 1.00 33.51 O +ATOM 3927 CB PRO A1135 -9.324 14.011 -34.400 1.00 32.38 C +ATOM 3928 CG PRO A1135 -8.283 13.086 -33.794 1.00 35.83 C +ATOM 3929 CD PRO A1135 -8.159 13.605 -32.368 1.00 30.45 C +ATOM 3930 HA PRO A1135 -10.734 15.274 -33.346 1.00 29.71 H +ATOM 3931 HB3 PRO A1135 -8.853 14.953 -34.686 1.00 32.38 H +ATOM 3932 HB2 PRO A1135 -9.779 13.590 -35.298 1.00 32.38 H +ATOM 3933 HG3 PRO A1135 -7.340 13.077 -34.339 1.00 35.83 H +ATOM 3934 HG2 PRO A1135 -8.673 12.068 -33.776 1.00 35.83 H +ATOM 3935 HD2 PRO A1135 -7.859 12.805 -31.691 1.00 30.45 H +ATOM 3936 HD3 PRO A1135 -7.419 14.404 -32.314 1.00 30.45 H +ATOM 3937 N ARG A1136 -12.446 13.482 -34.185 1.00 30.63 N +ATOM 3938 CA ARG A1136 -13.533 12.542 -34.459 1.00 30.68 C +ATOM 3939 C ARG A1136 -12.962 11.261 -35.110 1.00 36.51 C +ATOM 3940 O ARG A1136 -12.376 11.380 -36.188 1.00 36.37 O +ATOM 3941 CB ARG A1136 -14.560 13.241 -35.376 1.00 28.69 C +ATOM 3942 CG ARG A1136 -15.806 12.379 -35.679 1.00 33.51 C +ATOM 3943 CD ARG A1136 -16.847 13.056 -36.590 1.00 37.56 C +ATOM 3944 NE ARG A1136 -16.358 13.227 -37.972 1.00 52.22 N +ATOM 3945 CZ ARG A1136 -16.281 12.291 -38.939 1.00 71.16 C +ATOM 3946 NH1 ARG A1136 -15.733 12.618 -40.115 1.00 60.58 N +ATOM 3947 NH2 ARG A1136 -16.728 11.038 -38.774 1.00 53.25 N1+ +ATOM 3948 H ARG A1136 -12.389 14.291 -34.792 1.00 30.63 H +ATOM 3949 HA ARG A1136 -14.039 12.330 -33.523 1.00 30.68 H +ATOM 3950 HB3 ARG A1136 -14.076 13.535 -36.309 1.00 28.69 H +ATOM 3951 HB2 ARG A1136 -14.883 14.169 -34.905 1.00 28.69 H +ATOM 3952 HG3 ARG A1136 -16.278 12.004 -34.771 1.00 33.51 H +ATOM 3953 HG2 ARG A1136 -15.454 11.489 -36.199 1.00 33.51 H +ATOM 3954 HD3 ARG A1136 -16.998 14.074 -36.231 1.00 37.56 H +ATOM 3955 HD2 ARG A1136 -17.825 12.577 -36.532 1.00 37.56 H +ATOM 3956 HE ARG A1136 -15.982 14.141 -38.177 1.00 52.22 H +ATOM 3957 HH12 ARG A1136 -15.652 11.923 -40.844 1.00 60.58 H +ATOM 3958 HH11 ARG A1136 -15.382 13.551 -40.280 1.00 60.58 H +ATOM 3959 HH22 ARG A1136 -16.634 10.363 -39.522 1.00 53.25 H +ATOM 3960 HH21 ARG A1136 -17.185 10.766 -37.912 1.00 53.25 H +ATOM 3961 N PRO A1137 -13.133 10.074 -34.473 1.00 34.19 N +ATOM 3962 CA PRO A1137 -12.794 8.777 -35.100 1.00 34.79 C +ATOM 3963 C PRO A1137 -13.518 8.551 -36.438 1.00 39.69 C +ATOM 3964 O PRO A1137 -14.654 9.000 -36.591 1.00 37.63 O +ATOM 3965 CB PRO A1137 -13.235 7.730 -34.059 1.00 35.61 C +ATOM 3966 CG PRO A1137 -13.270 8.479 -32.741 1.00 38.50 C +ATOM 3967 CD PRO A1137 -13.716 9.872 -33.145 1.00 34.62 C +ATOM 3968 HA PRO A1137 -11.711 8.740 -35.234 1.00 34.79 H +ATOM 3969 HB3 PRO A1137 -12.572 6.866 -34.029 1.00 35.61 H +ATOM 3970 HB2 PRO A1137 -14.230 7.351 -34.286 1.00 35.61 H +ATOM 3971 HG3 PRO A1137 -12.259 8.534 -32.343 1.00 38.50 H +ATOM 3972 HG2 PRO A1137 -13.904 8.021 -31.984 1.00 38.50 H +ATOM 3973 HD2 PRO A1137 -14.802 9.926 -33.221 1.00 34.62 H +ATOM 3974 HD3 PRO A1137 -13.386 10.595 -32.401 1.00 34.62 H +ATOM 3975 N ASP A1138 -12.853 7.868 -37.383 1.00 39.28 N +ATOM 3976 CA ASP A1138 -13.426 7.546 -38.693 1.00 41.69 C +ATOM 3977 C ASP A1138 -14.685 6.666 -38.532 1.00 47.14 C +ATOM 3978 O ASP A1138 -14.612 5.633 -37.867 1.00 46.83 O +ATOM 3979 CB ASP A1138 -12.387 6.871 -39.624 1.00 45.59 C +ATOM 3980 CG ASP A1138 -12.841 6.652 -41.080 1.00 68.02 C +ATOM 3981 OD1 ASP A1138 -13.557 7.527 -41.620 1.00 70.17 O +ATOM 3982 OD2 ASP A1138 -12.365 5.662 -41.676 1.00 78.75 O1- +ATOM 3983 H ASP A1138 -11.925 7.516 -37.195 1.00 39.28 H +ATOM 3984 HA ASP A1138 -13.719 8.501 -39.135 1.00 41.69 H +ATOM 3985 HB3 ASP A1138 -12.074 5.921 -39.186 1.00 45.59 H +ATOM 3986 HB2 ASP A1138 -11.481 7.478 -39.648 1.00 45.59 H +ATOM 3987 N LYS A1139 -15.800 7.116 -39.131 1.00 45.46 N +ATOM 3988 CA LYS A1139 -17.138 6.507 -39.107 1.00 46.10 C +ATOM 3989 C LYS A1139 -17.911 6.699 -37.781 1.00 48.03 C +ATOM 3990 O LYS A1139 -19.010 6.158 -37.663 1.00 49.27 O +ATOM 3991 CB LYS A1139 -17.123 5.027 -39.585 1.00 50.14 C +ATOM 3992 CG LYS A1139 -16.482 4.798 -40.972 1.00 69.71 C +ATOM 3993 CD LYS A1139 -17.332 5.278 -42.167 1.00 83.93 C +ATOM 3994 CE LYS A1139 -18.382 4.259 -42.647 1.00 98.25 C +ATOM 3995 NZ LYS A1139 -17.770 3.130 -43.374 1.00107.70 N1+ +ATOM 3996 H LYS A1139 -15.734 7.966 -39.674 1.00 45.46 H +ATOM 3997 HA LYS A1139 -17.712 7.081 -39.834 1.00 46.10 H +ATOM 3998 HB3 LYS A1139 -18.137 4.626 -39.598 1.00 50.14 H +ATOM 3999 HB2 LYS A1139 -16.590 4.415 -38.858 1.00 50.14 H +ATOM 4000 HG3 LYS A1139 -16.252 3.738 -41.079 1.00 69.71 H +ATOM 4001 HG2 LYS A1139 -15.512 5.290 -41.017 1.00 69.71 H +ATOM 4002 HD3 LYS A1139 -16.672 5.557 -42.990 1.00 83.93 H +ATOM 4003 HD2 LYS A1139 -17.850 6.199 -41.901 1.00 83.93 H +ATOM 4004 HE3 LYS A1139 -19.082 4.749 -43.326 1.00 98.25 H +ATOM 4005 HE2 LYS A1139 -18.968 3.879 -41.809 1.00 98.25 H +ATOM 4006 HZ1 LYS A1139 -17.132 2.641 -42.762 1.00107.70 H +ATOM 4007 HZ2 LYS A1139 -18.490 2.494 -43.686 1.00107.70 H +ATOM 4008 HZ3 LYS A1139 -17.261 3.480 -44.174 1.00107.70 H +ATOM 4009 N CYS A1140 -17.379 7.501 -36.836 1.00 40.64 N +ATOM 4010 CA CYS A1140 -18.096 7.964 -35.642 1.00 37.44 C +ATOM 4011 C CYS A1140 -19.135 9.023 -36.075 1.00 40.28 C +ATOM 4012 O CYS A1140 -18.716 10.015 -36.674 1.00 40.75 O +ATOM 4013 CB CYS A1140 -17.119 8.571 -34.608 1.00 35.57 C +ATOM 4014 SG CYS A1140 -17.956 9.233 -33.132 1.00 37.88 S +ATOM 4015 H CYS A1140 -16.464 7.904 -36.986 1.00 40.64 H +ATOM 4016 HA CYS A1140 -18.547 7.094 -35.169 1.00 37.44 H +ATOM 4017 HB3 CYS A1140 -16.551 9.391 -35.044 1.00 35.57 H +ATOM 4018 HB2 CYS A1140 -16.407 7.814 -34.285 1.00 35.57 H +ATOM 4019 HG CYS A1140 -18.601 10.222 -33.759 1.00 37.88 H +ATOM 4020 N PRO A1141 -20.442 8.825 -35.776 1.00 34.69 N +ATOM 4021 CA PRO A1141 -21.483 9.846 -36.018 1.00 34.83 C +ATOM 4022 C PRO A1141 -21.161 11.214 -35.391 1.00 36.98 C +ATOM 4023 O PRO A1141 -20.604 11.262 -34.294 1.00 34.16 O +ATOM 4024 CB PRO A1141 -22.754 9.238 -35.404 1.00 36.57 C +ATOM 4025 CG PRO A1141 -22.512 7.741 -35.389 1.00 40.74 C +ATOM 4026 CD PRO A1141 -21.014 7.635 -35.148 1.00 36.09 C +ATOM 4027 HA PRO A1141 -21.603 9.941 -37.099 1.00 34.83 H +ATOM 4028 HB3 PRO A1141 -23.645 9.500 -35.973 1.00 36.57 H +ATOM 4029 HB2 PRO A1141 -22.903 9.592 -34.384 1.00 36.57 H +ATOM 4030 HG3 PRO A1141 -22.751 7.330 -36.371 1.00 40.74 H +ATOM 4031 HG2 PRO A1141 -23.108 7.209 -34.648 1.00 40.74 H +ATOM 4032 HD2 PRO A1141 -20.788 7.650 -34.081 1.00 36.09 H +ATOM 4033 HD3 PRO A1141 -20.634 6.709 -35.576 1.00 36.09 H +ATOM 4034 N ALA A1142 -21.496 12.292 -36.118 1.00 34.46 N +ATOM 4035 CA ALA A1142 -21.237 13.677 -35.716 1.00 34.01 C +ATOM 4036 C ALA A1142 -21.858 14.063 -34.363 1.00 35.94 C +ATOM 4037 O ALA A1142 -21.196 14.741 -33.582 1.00 33.77 O +ATOM 4038 CB ALA A1142 -21.717 14.626 -36.823 1.00 35.94 C +ATOM 4039 H ALA A1142 -21.956 12.168 -37.008 1.00 34.46 H +ATOM 4040 HA ALA A1142 -20.155 13.788 -35.623 1.00 34.01 H +ATOM 4041 HB1 ALA A1142 -21.528 15.667 -36.559 1.00 35.94 H +ATOM 4042 HB2 ALA A1142 -21.199 14.427 -37.761 1.00 35.94 H +ATOM 4043 HB3 ALA A1142 -22.788 14.519 -37.005 1.00 35.94 H +ATOM 4044 N GLU A1143 -23.085 13.585 -34.095 1.00 34.04 N +ATOM 4045 CA GLU A1143 -23.816 13.835 -32.853 1.00 34.34 C +ATOM 4046 C GLU A1143 -23.305 12.992 -31.664 1.00 35.13 C +ATOM 4047 O GLU A1143 -23.390 13.458 -30.528 1.00 31.94 O +ATOM 4048 CB GLU A1143 -25.318 13.650 -33.135 1.00 37.10 C +ATOM 4049 CG GLU A1143 -26.246 14.080 -31.978 1.00 51.53 C +ATOM 4050 CD GLU A1143 -27.740 14.125 -32.340 1.00 70.35 C +ATOM 4051 OE1 GLU A1143 -28.153 13.422 -33.291 1.00 77.38 O +ATOM 4052 OE2 GLU A1143 -28.460 14.869 -31.638 1.00 51.45 O1- +ATOM 4053 H GLU A1143 -23.564 13.026 -34.790 1.00 34.04 H +ATOM 4054 HA GLU A1143 -23.664 14.883 -32.589 1.00 34.34 H +ATOM 4055 HB3 GLU A1143 -25.505 12.606 -33.385 1.00 37.10 H +ATOM 4056 HB2 GLU A1143 -25.577 14.225 -34.027 1.00 37.10 H +ATOM 4057 HG3 GLU A1143 -25.936 15.065 -31.626 1.00 51.53 H +ATOM 4058 HG2 GLU A1143 -26.129 13.400 -31.134 1.00 51.53 H +ATOM 4059 N VAL A1144 -22.731 11.805 -31.940 1.00 32.23 N +ATOM 4060 CA VAL A1144 -22.009 10.987 -30.957 1.00 30.46 C +ATOM 4061 C VAL A1144 -20.648 11.617 -30.584 1.00 31.37 C +ATOM 4062 O VAL A1144 -20.236 11.503 -29.430 1.00 28.93 O +ATOM 4063 CB VAL A1144 -21.807 9.523 -31.459 1.00 34.90 C +ATOM 4064 CG1 VAL A1144 -20.858 8.650 -30.606 1.00 34.06 C +ATOM 4065 CG2 VAL A1144 -23.162 8.803 -31.593 1.00 35.48 C +ATOM 4066 H VAL A1144 -22.686 11.488 -32.898 1.00 32.23 H +ATOM 4067 HA VAL A1144 -22.610 10.949 -30.046 1.00 30.46 H +ATOM 4068 HB VAL A1144 -21.371 9.566 -32.457 1.00 34.90 H +ATOM 4069 HG11 VAL A1144 -20.841 7.622 -30.969 1.00 34.06 H +ATOM 4070 HG12 VAL A1144 -19.827 9.004 -30.638 1.00 34.06 H +ATOM 4071 HG13 VAL A1144 -21.173 8.625 -29.562 1.00 34.06 H +ATOM 4072 HG21 VAL A1144 -23.040 7.798 -31.997 1.00 35.48 H +ATOM 4073 HG22 VAL A1144 -23.654 8.713 -30.625 1.00 35.48 H +ATOM 4074 HG23 VAL A1144 -23.843 9.336 -32.256 1.00 35.48 H +ATOM 4075 N TYR A1145 -20.010 12.320 -31.540 1.00 28.72 N +ATOM 4076 CA TYR A1145 -18.815 13.130 -31.305 1.00 28.17 C +ATOM 4077 C TYR A1145 -19.111 14.402 -30.483 1.00 32.85 C +ATOM 4078 O TYR A1145 -18.270 14.789 -29.676 1.00 32.29 O +ATOM 4079 CB TYR A1145 -18.111 13.449 -32.643 1.00 29.44 C +ATOM 4080 CG TYR A1145 -16.805 14.215 -32.495 1.00 31.74 C +ATOM 4081 CD1 TYR A1145 -15.727 13.605 -31.826 1.00 33.16 C +ATOM 4082 CD2 TYR A1145 -16.667 15.532 -32.980 1.00 33.69 C +ATOM 4083 CE1 TYR A1145 -14.533 14.312 -31.597 1.00 33.08 C +ATOM 4084 CE2 TYR A1145 -15.457 16.230 -32.785 1.00 34.55 C +ATOM 4085 CZ TYR A1145 -14.395 15.627 -32.079 1.00 36.66 C +ATOM 4086 OH TYR A1145 -13.233 16.310 -31.864 1.00 35.20 O +ATOM 4087 H TYR A1145 -20.399 12.353 -32.473 1.00 28.72 H +ATOM 4088 HA TYR A1145 -18.129 12.519 -30.716 1.00 28.17 H +ATOM 4089 HB3 TYR A1145 -18.775 14.007 -33.302 1.00 29.44 H +ATOM 4090 HB2 TYR A1145 -17.894 12.516 -33.163 1.00 29.44 H +ATOM 4091 HD1 TYR A1145 -15.827 12.586 -31.495 1.00 33.16 H +ATOM 4092 HD2 TYR A1145 -17.486 16.012 -33.496 1.00 33.69 H +ATOM 4093 HE1 TYR A1145 -13.720 13.833 -31.071 1.00 33.08 H +ATOM 4094 HE2 TYR A1145 -15.352 17.237 -33.161 1.00 34.55 H +ATOM 4095 HH TYR A1145 -12.591 15.787 -31.372 1.00 35.20 H +ATOM 4096 N HIS A1146 -20.303 15.000 -30.665 1.00 31.34 N +ATOM 4097 CA HIS A1146 -20.779 16.145 -29.881 1.00 31.80 C +ATOM 4098 C HIS A1146 -21.146 15.778 -28.433 1.00 32.90 C +ATOM 4099 O HIS A1146 -20.947 16.611 -27.550 1.00 31.97 O +ATOM 4100 CB HIS A1146 -21.955 16.843 -30.592 1.00 33.81 C +ATOM 4101 CG HIS A1146 -21.650 17.391 -31.965 1.00 37.86 C +ATOM 4102 ND1 HIS A1146 -22.623 17.473 -32.968 1.00 40.76 N +ATOM 4103 CD2 HIS A1146 -20.458 17.881 -32.464 1.00 39.65 C +ATOM 4104 CE1 HIS A1146 -21.991 17.984 -34.016 1.00 40.91 C +ATOM 4105 NE2 HIS A1146 -20.706 18.244 -33.776 1.00 40.63 N +ATOM 4106 H HIS A1146 -20.940 14.639 -31.363 1.00 31.34 H +ATOM 4107 HA HIS A1146 -19.959 16.864 -29.820 1.00 31.80 H +ATOM 4108 HB3 HIS A1146 -22.316 17.675 -29.985 1.00 33.81 H +ATOM 4109 HB2 HIS A1146 -22.794 16.152 -30.679 1.00 33.81 H +ATOM 4110 HD2 HIS A1146 -19.485 17.986 -32.008 1.00 39.65 H +ATOM 4111 HE1 HIS A1146 -22.472 18.171 -34.965 1.00 40.91 H +ATOM 4112 HE2 HIS A1146 -20.043 18.638 -34.428 1.00 40.63 H +ATOM 4113 N LEU A1147 -21.611 14.536 -28.202 1.00 29.07 N +ATOM 4114 CA LEU A1147 -21.778 13.940 -26.872 1.00 28.56 C +ATOM 4115 C LEU A1147 -20.424 13.756 -26.160 1.00 31.25 C +ATOM 4116 O LEU A1147 -20.338 13.997 -24.958 1.00 29.28 O +ATOM 4117 CB LEU A1147 -22.590 12.626 -27.011 1.00 29.23 C +ATOM 4118 CG LEU A1147 -22.817 11.793 -25.720 1.00 34.50 C +ATOM 4119 CD1 LEU A1147 -24.077 10.917 -25.842 1.00 34.68 C +ATOM 4120 CD2 LEU A1147 -21.606 10.922 -25.312 1.00 36.84 C +ATOM 4121 H LEU A1147 -21.788 13.924 -28.986 1.00 29.07 H +ATOM 4122 HA LEU A1147 -22.369 14.632 -26.270 1.00 28.56 H +ATOM 4123 HB3 LEU A1147 -22.149 11.983 -27.771 1.00 29.23 H +ATOM 4124 HB2 LEU A1147 -23.558 12.917 -27.419 1.00 29.23 H +ATOM 4125 HG LEU A1147 -23.013 12.499 -24.911 1.00 34.50 H +ATOM 4126 HD11 LEU A1147 -24.525 10.753 -24.862 1.00 34.68 H +ATOM 4127 HD12 LEU A1147 -24.837 11.371 -26.478 1.00 34.68 H +ATOM 4128 HD13 LEU A1147 -23.850 9.940 -26.269 1.00 34.68 H +ATOM 4129 HD21 LEU A1147 -21.884 9.888 -25.107 1.00 36.84 H +ATOM 4130 HD22 LEU A1147 -20.841 10.896 -26.088 1.00 36.84 H +ATOM 4131 HD23 LEU A1147 -21.140 11.306 -24.405 1.00 36.84 H +ATOM 4132 N MET A1148 -19.396 13.361 -26.929 1.00 29.35 N +ATOM 4133 CA MET A1148 -18.014 13.182 -26.484 1.00 30.67 C +ATOM 4134 C MET A1148 -17.339 14.513 -26.107 1.00 31.09 C +ATOM 4135 O MET A1148 -16.638 14.554 -25.099 1.00 28.70 O +ATOM 4136 CB MET A1148 -17.240 12.431 -27.592 1.00 34.60 C +ATOM 4137 CG MET A1148 -16.460 11.203 -27.102 1.00 40.60 C +ATOM 4138 SD MET A1148 -16.144 9.982 -28.405 1.00 46.94 S +ATOM 4139 CE MET A1148 -14.969 10.895 -29.430 1.00 42.17 C +ATOM 4140 H MET A1148 -19.567 13.172 -27.907 1.00 29.35 H +ATOM 4141 HA MET A1148 -18.055 12.563 -25.586 1.00 30.67 H +ATOM 4142 HB3 MET A1148 -16.552 13.112 -28.095 1.00 34.60 H +ATOM 4143 HB2 MET A1148 -17.922 12.103 -28.375 1.00 34.60 H +ATOM 4144 HG3 MET A1148 -17.018 10.688 -26.320 1.00 40.60 H +ATOM 4145 HG2 MET A1148 -15.515 11.514 -26.657 1.00 40.60 H +ATOM 4146 HE1 MET A1148 -14.862 10.415 -30.402 1.00 42.17 H +ATOM 4147 HE2 MET A1148 -15.302 11.918 -29.569 1.00 42.17 H +ATOM 4148 HE3 MET A1148 -13.997 10.931 -28.953 1.00 42.17 H +ATOM 4149 N LYS A1149 -17.598 15.580 -26.886 1.00 27.88 N +ATOM 4150 CA LYS A1149 -17.154 16.946 -26.595 1.00 27.39 C +ATOM 4151 C LYS A1149 -17.917 17.609 -25.435 1.00 30.73 C +ATOM 4152 O LYS A1149 -17.329 18.451 -24.759 1.00 30.19 O +ATOM 4153 CB LYS A1149 -17.207 17.818 -27.865 1.00 30.13 C +ATOM 4154 CG LYS A1149 -16.108 17.472 -28.889 1.00 40.57 C +ATOM 4155 CD LYS A1149 -15.915 18.539 -29.980 1.00 49.92 C +ATOM 4156 CE LYS A1149 -15.173 19.793 -29.484 1.00 55.31 C +ATOM 4157 NZ LYS A1149 -14.911 20.746 -30.577 1.00 61.18 N1+ +ATOM 4158 H LYS A1149 -18.158 15.460 -27.720 1.00 27.88 H +ATOM 4159 HA LYS A1149 -16.112 16.888 -26.279 1.00 27.39 H +ATOM 4160 HB3 LYS A1149 -17.079 18.859 -27.571 1.00 30.13 H +ATOM 4161 HB2 LYS A1149 -18.193 17.764 -28.329 1.00 30.13 H +ATOM 4162 HG3 LYS A1149 -16.348 16.522 -29.364 1.00 40.57 H +ATOM 4163 HG2 LYS A1149 -15.157 17.313 -28.382 1.00 40.57 H +ATOM 4164 HD3 LYS A1149 -16.890 18.818 -30.383 1.00 49.92 H +ATOM 4165 HD2 LYS A1149 -15.361 18.095 -30.805 1.00 49.92 H +ATOM 4166 HE3 LYS A1149 -14.215 19.514 -29.049 1.00 55.31 H +ATOM 4167 HE2 LYS A1149 -15.743 20.306 -28.710 1.00 55.31 H +ATOM 4168 HZ1 LYS A1149 -14.403 21.541 -30.215 1.00 61.18 H +ATOM 4169 HZ2 LYS A1149 -14.362 20.296 -31.294 1.00 61.18 H +ATOM 4170 HZ3 LYS A1149 -15.788 21.058 -30.970 1.00 61.18 H +ATOM 4171 N ASN A1150 -19.178 17.207 -25.195 1.00 27.52 N +ATOM 4172 CA ASN A1150 -19.961 17.623 -24.027 1.00 27.53 C +ATOM 4173 C ASN A1150 -19.491 16.903 -22.745 1.00 29.61 C +ATOM 4174 O ASN A1150 -19.527 17.504 -21.674 1.00 29.79 O +ATOM 4175 CB ASN A1150 -21.466 17.425 -24.321 1.00 28.97 C +ATOM 4176 CG ASN A1150 -22.410 17.975 -23.243 1.00 41.34 C +ATOM 4177 OD1 ASN A1150 -23.302 17.265 -22.787 1.00 34.75 O +ATOM 4178 ND2 ASN A1150 -22.230 19.234 -22.833 1.00 35.14 N +ATOM 4179 H ASN A1150 -19.616 16.537 -25.812 1.00 27.52 H +ATOM 4180 HA ASN A1150 -19.788 18.690 -23.883 1.00 27.53 H +ATOM 4181 HB3 ASN A1150 -21.683 16.367 -24.477 1.00 28.97 H +ATOM 4182 HB2 ASN A1150 -21.722 17.929 -25.254 1.00 28.97 H +ATOM 4183 HD22 ASN A1150 -22.824 19.619 -22.112 1.00 35.14 H +ATOM 4184 HD21 ASN A1150 -21.495 19.813 -23.220 1.00 35.14 H +ATOM 4185 N CYS A1151 -18.978 15.668 -22.883 1.00 24.02 N +ATOM 4186 CA CYS A1151 -18.226 14.967 -21.839 1.00 24.87 C +ATOM 4187 C CYS A1151 -16.843 15.601 -21.590 1.00 28.35 C +ATOM 4188 O CYS A1151 -16.282 15.363 -20.527 1.00 26.56 O +ATOM 4189 CB CYS A1151 -18.067 13.466 -22.147 1.00 25.12 C +ATOM 4190 SG CYS A1151 -19.666 12.631 -21.997 1.00 29.56 S +ATOM 4191 H CYS A1151 -19.008 15.218 -23.787 1.00 24.02 H +ATOM 4192 HA CYS A1151 -18.778 15.060 -20.903 1.00 24.87 H +ATOM 4193 HB3 CYS A1151 -17.376 12.992 -21.451 1.00 25.12 H +ATOM 4194 HB2 CYS A1151 -17.671 13.297 -23.146 1.00 25.12 H +ATOM 4195 HG CYS A1151 -20.221 13.209 -23.068 1.00 29.56 H +ATOM 4196 N TRP A1152 -16.334 16.407 -22.539 1.00 24.56 N +ATOM 4197 CA TRP A1152 -15.064 17.120 -22.440 1.00 24.31 C +ATOM 4198 C TRP A1152 -15.252 18.648 -22.357 1.00 28.86 C +ATOM 4199 O TRP A1152 -14.462 19.368 -22.962 1.00 29.11 O +ATOM 4200 CB TRP A1152 -14.150 16.769 -23.635 1.00 23.52 C +ATOM 4201 CG TRP A1152 -13.769 15.351 -23.905 1.00 23.91 C +ATOM 4202 CD1 TRP A1152 -13.464 14.411 -22.983 1.00 26.64 C +ATOM 4203 CD2 TRP A1152 -13.493 14.748 -25.205 1.00 24.07 C +ATOM 4204 NE1 TRP A1152 -13.028 13.271 -23.624 1.00 25.72 N +ATOM 4205 CE2 TRP A1152 -13.021 13.419 -24.996 1.00 26.84 C +ATOM 4206 CE3 TRP A1152 -13.581 15.195 -26.545 1.00 25.78 C +ATOM 4207 CZ2 TRP A1152 -12.651 12.581 -26.063 1.00 25.92 C +ATOM 4208 CZ3 TRP A1152 -13.229 14.360 -27.624 1.00 27.26 C +ATOM 4209 CH2 TRP A1152 -12.760 13.055 -27.383 1.00 27.17 C +ATOM 4210 H TRP A1152 -16.861 16.563 -23.386 1.00 24.56 H +ATOM 4211 HA TRP A1152 -14.549 16.820 -21.531 1.00 24.31 H +ATOM 4212 HB3 TRP A1152 -13.195 17.278 -23.504 1.00 23.52 H +ATOM 4213 HB2 TRP A1152 -14.587 17.165 -24.551 1.00 23.52 H +ATOM 4214 HD1 TRP A1152 -13.530 14.552 -21.914 1.00 26.64 H +ATOM 4215 HE1 TRP A1152 -12.743 12.443 -23.118 1.00 25.72 H +ATOM 4216 HE3 TRP A1152 -13.922 16.199 -26.746 1.00 25.78 H +ATOM 4217 HZ2 TRP A1152 -12.280 11.586 -25.875 1.00 25.92 H +ATOM 4218 HZ3 TRP A1152 -13.304 14.727 -28.637 1.00 27.26 H +ATOM 4219 HH2 TRP A1152 -12.468 12.425 -28.209 1.00 27.17 H +ATOM 4220 N GLU A1153 -16.243 19.166 -21.612 1.00 25.75 N +ATOM 4221 CA GLU A1153 -16.288 20.607 -21.306 1.00 26.82 C +ATOM 4222 C GLU A1153 -15.165 20.957 -20.317 1.00 30.62 C +ATOM 4223 O GLU A1153 -14.982 20.213 -19.355 1.00 26.79 O +ATOM 4224 CB GLU A1153 -17.661 21.015 -20.731 1.00 28.38 C +ATOM 4225 CG GLU A1153 -18.853 20.780 -21.684 1.00 35.13 C +ATOM 4226 CD GLU A1153 -19.078 21.826 -22.787 1.00 54.88 C +ATOM 4227 OE1 GLU A1153 -18.283 22.786 -22.903 1.00 51.30 O +ATOM 4228 OE2 GLU A1153 -20.072 21.633 -23.523 1.00 50.04 O1- +ATOM 4229 H GLU A1153 -16.909 18.570 -21.143 1.00 25.75 H +ATOM 4230 HA GLU A1153 -16.126 21.170 -22.227 1.00 26.82 H +ATOM 4231 HB3 GLU A1153 -17.632 22.059 -20.419 1.00 28.38 H +ATOM 4232 HB2 GLU A1153 -17.847 20.473 -19.807 1.00 28.38 H +ATOM 4233 HG3 GLU A1153 -19.767 20.707 -21.096 1.00 35.13 H +ATOM 4234 HG2 GLU A1153 -18.736 19.816 -22.172 1.00 35.13 H +ATOM 4235 N THR A1154 -14.438 22.064 -20.561 1.00 30.88 N +ATOM 4236 CA THR A1154 -13.383 22.571 -19.668 1.00 31.88 C +ATOM 4237 C THR A1154 -13.939 22.913 -18.271 1.00 35.93 C +ATOM 4238 O THR A1154 -13.325 22.547 -17.269 1.00 35.75 O +ATOM 4239 CB THR A1154 -12.699 23.849 -20.233 1.00 43.66 C +ATOM 4240 OG1 THR A1154 -12.085 23.555 -21.471 1.00 44.97 O +ATOM 4241 CG2 THR A1154 -11.623 24.496 -19.338 1.00 43.44 C +ATOM 4242 H THR A1154 -14.652 22.640 -21.363 1.00 30.88 H +ATOM 4243 HA THR A1154 -12.631 21.787 -19.556 1.00 31.88 H +ATOM 4244 HB THR A1154 -13.464 24.600 -20.437 1.00 43.66 H +ATOM 4245 HG1 THR A1154 -11.510 24.290 -21.702 1.00 44.97 H +ATOM 4246 HG21 THR A1154 -11.136 25.325 -19.853 1.00 43.44 H +ATOM 4247 HG22 THR A1154 -12.041 24.904 -18.417 1.00 43.44 H +ATOM 4248 HG23 THR A1154 -10.847 23.781 -19.063 1.00 43.44 H +ATOM 4249 N GLU A1155 -15.129 23.536 -18.254 1.00 34.13 N +ATOM 4250 CA GLU A1155 -15.937 23.784 -17.069 1.00 35.75 C +ATOM 4251 C GLU A1155 -16.604 22.467 -16.627 1.00 37.89 C +ATOM 4252 O GLU A1155 -17.335 21.863 -17.414 1.00 35.58 O +ATOM 4253 CB GLU A1155 -16.967 24.873 -17.437 1.00 38.82 C +ATOM 4254 CG GLU A1155 -17.778 25.452 -16.258 1.00 56.26 C +ATOM 4255 CD GLU A1155 -17.038 26.450 -15.348 1.00 89.36 C +ATOM 4256 OE1 GLU A1155 -15.839 26.728 -15.577 1.00 94.02 O +ATOM 4257 OE2 GLU A1155 -17.704 26.925 -14.403 1.00 89.74 O1- +ATOM 4258 H GLU A1155 -15.563 23.781 -19.134 1.00 34.13 H +ATOM 4259 HA GLU A1155 -15.283 24.149 -16.275 1.00 35.75 H +ATOM 4260 HB3 GLU A1155 -17.672 24.451 -18.153 1.00 38.82 H +ATOM 4261 HB2 GLU A1155 -16.479 25.683 -17.982 1.00 38.82 H +ATOM 4262 HG3 GLU A1155 -18.176 24.641 -15.648 1.00 56.26 H +ATOM 4263 HG2 GLU A1155 -18.645 25.972 -16.663 1.00 56.26 H +ATOM 4264 N ALA A1156 -16.319 22.041 -15.385 1.00 35.19 N +ATOM 4265 CA ALA A1156 -16.766 20.766 -14.818 1.00 35.22 C +ATOM 4266 C ALA A1156 -18.288 20.639 -14.646 1.00 38.77 C +ATOM 4267 O ALA A1156 -18.817 19.540 -14.816 1.00 37.90 O +ATOM 4268 CB ALA A1156 -16.044 20.526 -13.484 1.00 36.33 C +ATOM 4269 H ALA A1156 -15.724 22.604 -14.793 1.00 35.19 H +ATOM 4270 HA ALA A1156 -16.466 19.984 -15.513 1.00 35.22 H +ATOM 4271 HB1 ALA A1156 -16.329 19.570 -13.043 1.00 36.33 H +ATOM 4272 HB2 ALA A1156 -14.962 20.512 -13.622 1.00 36.33 H +ATOM 4273 HB3 ALA A1156 -16.273 21.306 -12.757 1.00 36.33 H +ATOM 4274 N SER A1157 -18.958 21.763 -14.341 1.00 35.61 N +ATOM 4275 CA SER A1157 -20.409 21.866 -14.176 1.00 35.08 C +ATOM 4276 C SER A1157 -21.211 21.665 -15.479 1.00 37.46 C +ATOM 4277 O SER A1157 -22.359 21.228 -15.400 1.00 37.36 O +ATOM 4278 CB SER A1157 -20.732 23.206 -13.483 1.00 40.33 C +ATOM 4279 OG SER A1157 -20.526 24.317 -14.335 1.00 48.92 O +ATOM 4280 H SER A1157 -18.442 22.623 -14.209 1.00 35.61 H +ATOM 4281 HA SER A1157 -20.705 21.071 -13.490 1.00 35.08 H +ATOM 4282 HB3 SER A1157 -20.130 23.330 -12.582 1.00 40.33 H +ATOM 4283 HB2 SER A1157 -21.774 23.216 -13.163 1.00 40.33 H +ATOM 4284 HG SER A1157 -20.612 25.124 -13.820 1.00 48.92 H +ATOM 4285 N PHE A1158 -20.600 21.963 -16.641 1.00 32.83 N +ATOM 4286 CA PHE A1158 -21.225 21.832 -17.962 1.00 32.10 C +ATOM 4287 C PHE A1158 -21.262 20.383 -18.487 1.00 33.92 C +ATOM 4288 O PHE A1158 -22.027 20.112 -19.414 1.00 31.85 O +ATOM 4289 CB PHE A1158 -20.509 22.753 -18.976 1.00 33.90 C +ATOM 4290 CG PHE A1158 -20.583 24.263 -18.780 1.00 37.34 C +ATOM 4291 CD1 PHE A1158 -21.365 24.870 -17.770 1.00 41.32 C +ATOM 4292 CD2 PHE A1158 -19.866 25.090 -19.671 1.00 39.43 C +ATOM 4293 CE1 PHE A1158 -21.392 26.253 -17.648 1.00 43.51 C +ATOM 4294 CE2 PHE A1158 -19.906 26.471 -19.532 1.00 43.26 C +ATOM 4295 CZ PHE A1158 -20.663 27.049 -18.523 1.00 42.52 C +ATOM 4296 H PHE A1158 -19.654 22.318 -16.628 1.00 32.83 H +ATOM 4297 HA PHE A1158 -22.266 22.152 -17.891 1.00 32.10 H +ATOM 4298 HB3 PHE A1158 -20.891 22.555 -19.979 1.00 33.90 H +ATOM 4299 HB2 PHE A1158 -19.452 22.489 -19.006 1.00 33.90 H +ATOM 4300 HD1 PHE A1158 -21.944 24.280 -17.075 1.00 41.32 H +ATOM 4301 HD2 PHE A1158 -19.276 24.647 -20.460 1.00 39.43 H +ATOM 4302 HE1 PHE A1158 -21.982 26.712 -16.868 1.00 43.51 H +ATOM 4303 HE2 PHE A1158 -19.346 27.095 -20.212 1.00 43.26 H +ATOM 4304 HZ PHE A1158 -20.689 28.124 -18.419 1.00 42.52 H +ATOM 4305 N ARG A1159 -20.451 19.483 -17.901 1.00 27.94 N +ATOM 4306 CA ARG A1159 -20.401 18.062 -18.254 1.00 27.11 C +ATOM 4307 C ARG A1159 -21.635 17.307 -17.701 1.00 29.97 C +ATOM 4308 O ARG A1159 -22.017 17.562 -16.558 1.00 28.45 O +ATOM 4309 CB ARG A1159 -19.085 17.447 -17.725 1.00 27.28 C +ATOM 4310 CG ARG A1159 -17.826 18.123 -18.307 1.00 37.58 C +ATOM 4311 CD ARG A1159 -16.511 17.352 -18.102 1.00 43.51 C +ATOM 4312 NE ARG A1159 -16.026 17.327 -16.716 1.00 43.50 N +ATOM 4313 CZ ARG A1159 -14.971 17.962 -16.172 1.00 45.54 C +ATOM 4314 NH1 ARG A1159 -14.222 18.856 -16.830 1.00 36.88 N +ATOM 4315 NH2 ARG A1159 -14.648 17.676 -14.910 1.00 30.01 N1+ +ATOM 4316 H ARG A1159 -19.858 19.776 -17.138 1.00 27.94 H +ATOM 4317 HA ARG A1159 -20.378 18.025 -19.340 1.00 27.11 H +ATOM 4318 HB3 ARG A1159 -19.064 16.393 -18.001 1.00 27.28 H +ATOM 4319 HB2 ARG A1159 -19.056 17.476 -16.635 1.00 27.28 H +ATOM 4320 HG3 ARG A1159 -17.736 19.090 -17.808 1.00 37.58 H +ATOM 4321 HG2 ARG A1159 -17.947 18.333 -19.368 1.00 37.58 H +ATOM 4322 HD3 ARG A1159 -15.755 17.616 -18.840 1.00 43.51 H +ATOM 4323 HD2 ARG A1159 -16.727 16.298 -18.268 1.00 43.51 H +ATOM 4324 HE ARG A1159 -16.515 16.670 -16.123 1.00 43.50 H +ATOM 4325 HH12 ARG A1159 -13.443 19.305 -16.367 1.00 36.88 H +ATOM 4326 HH11 ARG A1159 -14.479 19.148 -17.766 1.00 36.88 H +ATOM 4327 HH22 ARG A1159 -13.828 18.092 -14.480 1.00 30.01 H +ATOM 4328 HH21 ARG A1159 -15.177 16.993 -14.389 1.00 30.01 H +ATOM 4329 N PRO A1160 -22.245 16.402 -18.505 1.00 26.80 N +ATOM 4330 CA PRO A1160 -23.417 15.614 -18.080 1.00 26.98 C +ATOM 4331 C PRO A1160 -23.023 14.501 -17.094 1.00 32.02 C +ATOM 4332 O PRO A1160 -22.041 13.808 -17.342 1.00 31.35 O +ATOM 4333 CB PRO A1160 -23.937 15.030 -19.406 1.00 28.34 C +ATOM 4334 CG PRO A1160 -22.695 14.855 -20.268 1.00 31.76 C +ATOM 4335 CD PRO A1160 -21.826 16.039 -19.861 1.00 27.47 C +ATOM 4336 HA PRO A1160 -24.178 16.252 -17.628 1.00 26.98 H +ATOM 4337 HB3 PRO A1160 -24.608 15.750 -19.876 1.00 28.34 H +ATOM 4338 HB2 PRO A1160 -24.491 14.098 -19.289 1.00 28.34 H +ATOM 4339 HG3 PRO A1160 -22.907 14.822 -21.337 1.00 31.76 H +ATOM 4340 HG2 PRO A1160 -22.192 13.923 -20.004 1.00 31.76 H +ATOM 4341 HD2 PRO A1160 -20.769 15.781 -19.915 1.00 27.47 H +ATOM 4342 HD3 PRO A1160 -22.012 16.890 -20.516 1.00 27.47 H +ATOM 4343 N THR A1161 -23.789 14.324 -16.007 1.00 29.10 N +ATOM 4344 CA THR A1161 -23.603 13.217 -15.056 1.00 28.91 C +ATOM 4345 C THR A1161 -23.827 11.838 -15.722 1.00 29.63 C +ATOM 4346 O THR A1161 -24.454 11.766 -16.780 1.00 26.66 O +ATOM 4347 CB THR A1161 -24.557 13.351 -13.832 1.00 34.86 C +ATOM 4348 OG1 THR A1161 -25.865 12.856 -14.057 1.00 34.53 O +ATOM 4349 CG2 THR A1161 -24.617 14.763 -13.229 1.00 35.90 C +ATOM 4350 H THR A1161 -24.607 14.901 -15.863 1.00 29.10 H +ATOM 4351 HA THR A1161 -22.573 13.254 -14.697 1.00 28.91 H +ATOM 4352 HB THR A1161 -24.153 12.711 -13.047 1.00 34.86 H +ATOM 4353 HG1 THR A1161 -26.454 13.221 -13.388 1.00 34.53 H +ATOM 4354 HG21 THR A1161 -25.175 14.766 -12.292 1.00 35.90 H +ATOM 4355 HG22 THR A1161 -23.616 15.139 -13.017 1.00 35.90 H +ATOM 4356 HG23 THR A1161 -25.103 15.469 -13.903 1.00 35.90 H +ATOM 4357 N PHE A1162 -23.334 10.762 -15.088 1.00 26.26 N +ATOM 4358 CA PHE A1162 -23.561 9.392 -15.560 1.00 25.89 C +ATOM 4359 C PHE A1162 -25.040 8.966 -15.610 1.00 30.07 C +ATOM 4360 O PHE A1162 -25.403 8.218 -16.515 1.00 29.53 O +ATOM 4361 CB PHE A1162 -22.699 8.388 -14.777 1.00 27.11 C +ATOM 4362 CG PHE A1162 -21.246 8.362 -15.201 1.00 25.98 C +ATOM 4363 CD1 PHE A1162 -20.898 7.838 -16.459 1.00 26.41 C +ATOM 4364 CD2 PHE A1162 -20.245 8.943 -14.402 1.00 27.86 C +ATOM 4365 CE1 PHE A1162 -19.573 7.805 -16.862 1.00 26.21 C +ATOM 4366 CE2 PHE A1162 -18.922 8.912 -14.824 1.00 29.34 C +ATOM 4367 CZ PHE A1162 -18.586 8.329 -16.039 1.00 25.75 C +ATOM 4368 H PHE A1162 -22.822 10.869 -14.222 1.00 26.26 H +ATOM 4369 HA PHE A1162 -23.226 9.366 -16.598 1.00 25.89 H +ATOM 4370 HB3 PHE A1162 -23.079 7.379 -14.930 1.00 27.11 H +ATOM 4371 HB2 PHE A1162 -22.764 8.571 -13.705 1.00 27.11 H +ATOM 4372 HD1 PHE A1162 -21.672 7.455 -17.102 1.00 26.41 H +ATOM 4373 HD2 PHE A1162 -20.507 9.395 -13.461 1.00 27.86 H +ATOM 4374 HE1 PHE A1162 -19.316 7.369 -17.815 1.00 26.21 H +ATOM 4375 HE2 PHE A1162 -18.153 9.342 -14.206 1.00 29.34 H +ATOM 4376 HZ PHE A1162 -17.554 8.293 -16.350 1.00 25.75 H +ATOM 4377 N GLU A1163 -25.873 9.500 -14.699 1.00 27.87 N +ATOM 4378 CA GLU A1163 -27.330 9.355 -14.724 1.00 28.69 C +ATOM 4379 C GLU A1163 -28.021 10.100 -15.882 1.00 33.26 C +ATOM 4380 O GLU A1163 -29.087 9.652 -16.303 1.00 32.51 O +ATOM 4381 CB GLU A1163 -27.927 9.769 -13.366 1.00 31.37 C +ATOM 4382 CG GLU A1163 -27.608 8.760 -12.239 1.00 44.54 C +ATOM 4383 CD GLU A1163 -28.145 9.129 -10.846 1.00 68.84 C +ATOM 4384 OE1 GLU A1163 -28.711 10.233 -10.679 1.00 67.02 O +ATOM 4385 OE2 GLU A1163 -27.958 8.284 -9.944 1.00 62.94 O1- +ATOM 4386 H GLU A1163 -25.498 10.099 -13.976 1.00 27.87 H +ATOM 4387 HA GLU A1163 -27.551 8.297 -14.871 1.00 28.69 H +ATOM 4388 HB3 GLU A1163 -29.009 9.882 -13.452 1.00 31.37 H +ATOM 4389 HB2 GLU A1163 -27.540 10.753 -13.095 1.00 31.37 H +ATOM 4390 HG3 GLU A1163 -26.530 8.625 -12.158 1.00 44.54 H +ATOM 4391 HG2 GLU A1163 -28.013 7.785 -12.512 1.00 44.54 H +ATOM 4392 N ASN A1164 -27.417 11.190 -16.392 1.00 30.86 N +ATOM 4393 CA ASN A1164 -27.882 11.893 -17.596 1.00 30.74 C +ATOM 4394 C ASN A1164 -27.503 11.131 -18.879 1.00 32.00 C +ATOM 4395 O ASN A1164 -28.280 11.151 -19.832 1.00 31.36 O +ATOM 4396 CB ASN A1164 -27.317 13.336 -17.689 1.00 30.05 C +ATOM 4397 CG ASN A1164 -27.571 14.258 -16.490 1.00 41.44 C +ATOM 4398 OD1 ASN A1164 -26.746 15.121 -16.200 1.00 30.45 O +ATOM 4399 ND2 ASN A1164 -28.701 14.110 -15.795 1.00 30.02 N +ATOM 4400 H ASN A1164 -26.552 11.521 -15.984 1.00 30.86 H +ATOM 4401 HA ASN A1164 -28.972 11.954 -17.582 1.00 30.74 H +ATOM 4402 HB3 ASN A1164 -27.734 13.831 -18.567 1.00 30.05 H +ATOM 4403 HB2 ASN A1164 -26.240 13.302 -17.853 1.00 30.05 H +ATOM 4404 HD22 ASN A1164 -28.879 14.703 -14.997 1.00 30.02 H +ATOM 4405 HD21 ASN A1164 -29.374 13.396 -16.037 1.00 30.02 H +ATOM 4406 N LEU A1165 -26.326 10.480 -18.882 1.00 27.37 N +ATOM 4407 CA LEU A1165 -25.766 9.760 -20.028 1.00 26.17 C +ATOM 4408 C LEU A1165 -26.478 8.435 -20.352 1.00 30.32 C +ATOM 4409 O LEU A1165 -26.504 8.068 -21.525 1.00 29.57 O +ATOM 4410 CB LEU A1165 -24.259 9.516 -19.791 1.00 24.98 C +ATOM 4411 CG LEU A1165 -23.381 10.779 -19.932 1.00 27.47 C +ATOM 4412 CD1 LEU A1165 -21.985 10.567 -19.304 1.00 26.17 C +ATOM 4413 CD2 LEU A1165 -23.312 11.261 -21.400 1.00 28.90 C +ATOM 4414 H LEU A1165 -25.739 10.526 -18.060 1.00 27.37 H +ATOM 4415 HA LEU A1165 -25.886 10.396 -20.907 1.00 26.17 H +ATOM 4416 HB3 LEU A1165 -23.883 8.764 -20.486 1.00 24.98 H +ATOM 4417 HB2 LEU A1165 -24.131 9.083 -18.798 1.00 24.98 H +ATOM 4418 HG LEU A1165 -23.853 11.578 -19.359 1.00 27.47 H +ATOM 4419 HD11 LEU A1165 -21.169 10.782 -19.992 1.00 26.17 H +ATOM 4420 HD12 LEU A1165 -21.850 11.218 -18.439 1.00 26.17 H +ATOM 4421 HD13 LEU A1165 -21.842 9.544 -18.956 1.00 26.17 H +ATOM 4422 HD21 LEU A1165 -22.294 11.315 -21.782 1.00 28.90 H +ATOM 4423 HD22 LEU A1165 -23.857 10.602 -22.076 1.00 28.90 H +ATOM 4424 HD23 LEU A1165 -23.747 12.255 -21.501 1.00 28.90 H +ATOM 4425 N ILE A1166 -27.040 7.749 -19.341 1.00 27.97 N +ATOM 4426 CA ILE A1166 -27.745 6.467 -19.487 1.00 28.85 C +ATOM 4427 C ILE A1166 -28.953 6.492 -20.460 1.00 33.75 C +ATOM 4428 O ILE A1166 -28.925 5.705 -21.406 1.00 32.47 O +ATOM 4429 CB ILE A1166 -28.146 5.868 -18.102 1.00 32.86 C +ATOM 4430 CG1 ILE A1166 -26.891 5.392 -17.344 1.00 32.40 C +ATOM 4431 CG2 ILE A1166 -29.182 4.719 -18.139 1.00 34.79 C +ATOM 4432 CD1 ILE A1166 -27.093 5.273 -15.829 1.00 41.27 C +ATOM 4433 H ILE A1166 -26.962 8.109 -18.400 1.00 27.97 H +ATOM 4434 HA ILE A1166 -27.016 5.782 -19.927 1.00 28.85 H +ATOM 4435 HB ILE A1166 -28.578 6.676 -17.513 1.00 32.86 H +ATOM 4436 HG13 ILE A1166 -26.060 6.066 -17.526 1.00 32.40 H +ATOM 4437 HG12 ILE A1166 -26.559 4.439 -17.750 1.00 32.40 H +ATOM 4438 HG21 ILE A1166 -29.368 4.322 -17.141 1.00 34.79 H +ATOM 4439 HG22 ILE A1166 -30.151 5.039 -18.522 1.00 34.79 H +ATOM 4440 HG23 ILE A1166 -28.826 3.895 -18.757 1.00 34.79 H +ATOM 4441 HD11 ILE A1166 -26.139 5.370 -15.317 1.00 41.27 H +ATOM 4442 HD12 ILE A1166 -27.751 6.049 -15.441 1.00 41.27 H +ATOM 4443 HD13 ILE A1166 -27.519 4.310 -15.552 1.00 41.27 H +ATOM 4444 N PRO A1167 -29.961 7.381 -20.270 1.00 32.13 N +ATOM 4445 CA PRO A1167 -31.104 7.471 -21.200 1.00 32.58 C +ATOM 4446 C PRO A1167 -30.756 7.999 -22.606 1.00 34.66 C +ATOM 4447 O PRO A1167 -31.441 7.626 -23.559 1.00 34.80 O +ATOM 4448 CB PRO A1167 -32.110 8.379 -20.476 1.00 35.43 C +ATOM 4449 CG PRO A1167 -31.254 9.243 -19.567 1.00 39.58 C +ATOM 4450 CD PRO A1167 -30.159 8.280 -19.129 1.00 34.49 C +ATOM 4451 HA PRO A1167 -31.550 6.482 -21.322 1.00 32.58 H +ATOM 4452 HB3 PRO A1167 -32.779 7.765 -19.871 1.00 35.43 H +ATOM 4453 HB2 PRO A1167 -32.734 8.973 -21.146 1.00 35.43 H +ATOM 4454 HG3 PRO A1167 -31.803 9.681 -18.734 1.00 39.58 H +ATOM 4455 HG2 PRO A1167 -30.817 10.057 -20.147 1.00 39.58 H +ATOM 4456 HD2 PRO A1167 -29.269 8.825 -18.831 1.00 34.49 H +ATOM 4457 HD3 PRO A1167 -30.503 7.693 -18.277 1.00 34.49 H +ATOM 4458 N ILE A1168 -29.692 8.816 -22.719 1.00 31.51 N +ATOM 4459 CA ILE A1168 -29.174 9.311 -23.996 1.00 32.13 C +ATOM 4460 C ILE A1168 -28.515 8.176 -24.809 1.00 34.20 C +ATOM 4461 O ILE A1168 -28.819 8.042 -25.992 1.00 33.26 O +ATOM 4462 CB ILE A1168 -28.157 10.480 -23.813 1.00 35.61 C +ATOM 4463 CG1 ILE A1168 -28.818 11.695 -23.122 1.00 36.57 C +ATOM 4464 CG2 ILE A1168 -27.491 10.936 -25.133 1.00 37.22 C +ATOM 4465 CD1 ILE A1168 -27.816 12.756 -22.635 1.00 41.21 C +ATOM 4466 H ILE A1168 -29.178 9.087 -21.893 1.00 31.51 H +ATOM 4467 HA ILE A1168 -30.019 9.689 -24.577 1.00 32.13 H +ATOM 4468 HB ILE A1168 -27.363 10.125 -23.154 1.00 35.61 H +ATOM 4469 HG13 ILE A1168 -29.409 11.372 -22.266 1.00 36.57 H +ATOM 4470 HG12 ILE A1168 -29.529 12.160 -23.806 1.00 36.57 H +ATOM 4471 HG21 ILE A1168 -26.825 11.783 -24.973 1.00 37.22 H +ATOM 4472 HG22 ILE A1168 -26.886 10.153 -25.588 1.00 37.22 H +ATOM 4473 HG23 ILE A1168 -28.240 11.243 -25.864 1.00 37.22 H +ATOM 4474 HD11 ILE A1168 -28.223 13.321 -21.796 1.00 41.21 H +ATOM 4475 HD12 ILE A1168 -26.881 12.305 -22.300 1.00 41.21 H +ATOM 4476 HD13 ILE A1168 -27.581 13.469 -23.424 1.00 41.21 H +ATOM 4477 N LEU A1169 -27.664 7.367 -24.155 1.00 29.74 N +ATOM 4478 CA LEU A1169 -26.967 6.225 -24.756 1.00 29.80 C +ATOM 4479 C LEU A1169 -27.885 5.031 -25.075 1.00 35.11 C +ATOM 4480 O LEU A1169 -27.557 4.280 -25.991 1.00 36.14 O +ATOM 4481 CB LEU A1169 -25.777 5.814 -23.865 1.00 29.09 C +ATOM 4482 CG LEU A1169 -24.581 6.789 -23.960 1.00 32.75 C +ATOM 4483 CD1 LEU A1169 -23.587 6.570 -22.808 1.00 32.66 C +ATOM 4484 CD2 LEU A1169 -23.883 6.727 -25.337 1.00 36.03 C +ATOM 4485 H LEU A1169 -27.456 7.545 -23.180 1.00 29.74 H +ATOM 4486 HA LEU A1169 -26.565 6.559 -25.711 1.00 29.80 H +ATOM 4487 HB3 LEU A1169 -25.421 4.823 -24.144 1.00 29.09 H +ATOM 4488 HB2 LEU A1169 -26.125 5.721 -22.835 1.00 29.09 H +ATOM 4489 HG LEU A1169 -24.969 7.801 -23.834 1.00 32.75 H +ATOM 4490 HD11 LEU A1169 -23.208 7.523 -22.440 1.00 32.66 H +ATOM 4491 HD12 LEU A1169 -24.047 6.060 -21.962 1.00 32.66 H +ATOM 4492 HD13 LEU A1169 -22.731 5.971 -23.114 1.00 32.66 H +ATOM 4493 HD21 LEU A1169 -22.797 6.684 -25.255 1.00 36.03 H +ATOM 4494 HD22 LEU A1169 -24.195 5.856 -25.915 1.00 36.03 H +ATOM 4495 HD23 LEU A1169 -24.124 7.609 -25.930 1.00 36.03 H +ATOM 4496 N LYS A1170 -29.028 4.905 -24.376 1.00 32.29 N +ATOM 4497 CA LYS A1170 -30.116 3.981 -24.717 1.00 33.11 C +ATOM 4498 C LYS A1170 -30.825 4.360 -26.028 1.00 37.39 C +ATOM 4499 O LYS A1170 -31.078 3.477 -26.846 1.00 37.67 O +ATOM 4500 CB LYS A1170 -31.124 3.899 -23.551 1.00 37.22 C +ATOM 4501 CG LYS A1170 -30.641 3.002 -22.404 1.00 43.25 C +ATOM 4502 CD LYS A1170 -31.551 3.030 -21.170 1.00 49.41 C +ATOM 4503 CE LYS A1170 -31.093 2.016 -20.108 1.00 57.38 C +ATOM 4504 NZ LYS A1170 -31.915 2.081 -18.888 1.00 64.71 N1+ +ATOM 4505 H LYS A1170 -29.207 5.536 -23.606 1.00 32.29 H +ATOM 4506 HA LYS A1170 -29.678 2.992 -24.863 1.00 33.11 H +ATOM 4507 HB3 LYS A1170 -32.069 3.483 -23.907 1.00 37.22 H +ATOM 4508 HB2 LYS A1170 -31.357 4.899 -23.187 1.00 37.22 H +ATOM 4509 HG3 LYS A1170 -29.633 3.290 -22.111 1.00 43.25 H +ATOM 4510 HG2 LYS A1170 -30.573 1.978 -22.773 1.00 43.25 H +ATOM 4511 HD3 LYS A1170 -32.578 2.820 -21.472 1.00 49.41 H +ATOM 4512 HD2 LYS A1170 -31.550 4.038 -20.751 1.00 49.41 H +ATOM 4513 HE3 LYS A1170 -30.052 2.195 -19.835 1.00 57.38 H +ATOM 4514 HE2 LYS A1170 -31.143 1.003 -20.508 1.00 57.38 H +ATOM 4515 HZ1 LYS A1170 -32.877 1.875 -19.115 1.00 64.71 H +ATOM 4516 HZ2 LYS A1170 -31.574 1.402 -18.221 1.00 64.71 H +ATOM 4517 HZ3 LYS A1170 -31.852 3.005 -18.484 1.00 64.71 H +ATOM 4518 N THR A1171 -31.102 5.663 -26.212 1.00 34.80 N +ATOM 4519 CA THR A1171 -31.738 6.219 -27.411 1.00 35.33 C +ATOM 4520 C THR A1171 -30.800 6.208 -28.638 1.00 39.05 C +ATOM 4521 O THR A1171 -31.260 5.941 -29.748 1.00 39.67 O +ATOM 4522 CB THR A1171 -32.220 7.675 -27.167 1.00 44.81 C +ATOM 4523 OG1 THR A1171 -33.137 7.683 -26.089 1.00 44.59 O +ATOM 4524 CG2 THR A1171 -32.908 8.359 -28.363 1.00 42.98 C +ATOM 4525 H THR A1171 -30.845 6.329 -25.497 1.00 34.80 H +ATOM 4526 HA THR A1171 -32.610 5.604 -27.647 1.00 35.33 H +ATOM 4527 HB THR A1171 -31.373 8.291 -26.863 1.00 44.81 H +ATOM 4528 HG1 THR A1171 -32.663 7.467 -25.282 1.00 44.59 H +ATOM 4529 HG21 THR A1171 -33.310 9.332 -28.077 1.00 42.98 H +ATOM 4530 HG22 THR A1171 -32.218 8.533 -29.189 1.00 42.98 H +ATOM 4531 HG23 THR A1171 -33.736 7.757 -28.739 1.00 42.98 H +ATOM 4532 N VAL A1172 -29.501 6.461 -28.407 1.00 34.64 N +ATOM 4533 CA VAL A1172 -28.437 6.393 -29.409 1.00 35.04 C +ATOM 4534 C VAL A1172 -28.142 4.943 -29.854 1.00 37.21 C +ATOM 4535 O VAL A1172 -27.962 4.722 -31.050 1.00 35.63 O +ATOM 4536 CB VAL A1172 -27.153 7.107 -28.887 1.00 39.11 C +ATOM 4537 CG1 VAL A1172 -25.823 6.718 -29.557 1.00 39.01 C +ATOM 4538 CG2 VAL A1172 -27.323 8.636 -28.939 1.00 39.06 C +ATOM 4539 H VAL A1172 -29.207 6.702 -27.470 1.00 34.64 H +ATOM 4540 HA VAL A1172 -28.785 6.931 -30.293 1.00 35.04 H +ATOM 4541 HB VAL A1172 -27.044 6.843 -27.837 1.00 39.11 H +ATOM 4542 HG11 VAL A1172 -25.005 7.334 -29.184 1.00 39.01 H +ATOM 4543 HG12 VAL A1172 -25.555 5.686 -29.335 1.00 39.01 H +ATOM 4544 HG13 VAL A1172 -25.867 6.841 -30.639 1.00 39.01 H +ATOM 4545 HG21 VAL A1172 -26.478 9.144 -28.472 1.00 39.06 H +ATOM 4546 HG22 VAL A1172 -27.395 8.990 -29.967 1.00 39.06 H +ATOM 4547 HG23 VAL A1172 -28.223 8.960 -28.417 1.00 39.06 H +ATOM 4548 N HIS A1173 -28.170 3.976 -28.917 1.00 33.86 N +ATOM 4549 CA HIS A1173 -28.096 2.540 -29.214 1.00 34.98 C +ATOM 4550 C HIS A1173 -29.277 2.060 -30.084 1.00 39.49 C +ATOM 4551 O HIS A1173 -29.043 1.349 -31.059 1.00 38.50 O +ATOM 4552 CB HIS A1173 -27.984 1.732 -27.901 1.00 35.81 C +ATOM 4553 CG HIS A1173 -28.090 0.234 -28.062 1.00 39.76 C +ATOM 4554 ND1 HIS A1173 -27.102 -0.535 -28.649 1.00 41.19 N +ATOM 4555 CD2 HIS A1173 -29.100 -0.647 -27.743 1.00 42.70 C +ATOM 4556 CE1 HIS A1173 -27.538 -1.797 -28.663 1.00 41.61 C +ATOM 4557 NE2 HIS A1173 -28.744 -1.941 -28.129 1.00 43.01 N +ATOM 4558 H HIS A1173 -28.305 4.222 -27.946 1.00 33.86 H +ATOM 4559 HA HIS A1173 -27.183 2.367 -29.788 1.00 34.98 H +ATOM 4560 HB3 HIS A1173 -28.760 2.045 -27.201 1.00 35.81 H +ATOM 4561 HB2 HIS A1173 -27.032 1.952 -27.414 1.00 35.81 H +ATOM 4562 HD1 HIS A1173 -26.205 -0.215 -28.995 1.00 41.19 H +ATOM 4563 HD2 HIS A1173 -30.059 -0.445 -27.288 1.00 42.70 H +ATOM 4564 HE1 HIS A1173 -26.961 -2.619 -29.062 1.00 41.61 H +ATOM 4565 N GLU A1174 -30.502 2.495 -29.734 1.00 37.68 N +ATOM 4566 CA GLU A1174 -31.744 2.256 -30.476 1.00 39.70 C +ATOM 4567 C GLU A1174 -31.727 2.760 -31.930 1.00 42.94 C +ATOM 4568 O GLU A1174 -32.312 2.102 -32.790 1.00 44.72 O +ATOM 4569 CB GLU A1174 -32.935 2.873 -29.702 1.00 42.32 C +ATOM 4570 CG GLU A1174 -33.555 1.928 -28.651 1.00 60.01 C +ATOM 4571 CD GLU A1174 -34.443 0.805 -29.219 1.00 92.87 C +ATOM 4572 OE1 GLU A1174 -34.832 0.871 -30.407 1.00 94.43 O +ATOM 4573 OE2 GLU A1174 -34.715 -0.138 -28.446 1.00 90.73 O1- +ATOM 4574 H GLU A1174 -30.599 3.061 -28.901 1.00 37.68 H +ATOM 4575 HA GLU A1174 -31.882 1.176 -30.525 1.00 39.70 H +ATOM 4576 HB3 GLU A1174 -33.706 3.247 -30.379 1.00 42.32 H +ATOM 4577 HB2 GLU A1174 -32.594 3.762 -29.175 1.00 42.32 H +ATOM 4578 HG3 GLU A1174 -34.171 2.518 -27.971 1.00 60.01 H +ATOM 4579 HG2 GLU A1174 -32.763 1.493 -28.038 1.00 60.01 H +ATOM 4580 N LYS A1175 -31.050 3.893 -32.178 1.00 37.93 N +ATOM 4581 CA LYS A1175 -30.917 4.504 -33.500 1.00 37.53 C +ATOM 4582 C LYS A1175 -30.053 3.674 -34.468 1.00 41.18 C +ATOM 4583 O LYS A1175 -30.453 3.507 -35.620 1.00 39.68 O +ATOM 4584 CB LYS A1175 -30.402 5.952 -33.337 1.00 38.66 C +ATOM 4585 CG LYS A1175 -30.187 6.714 -34.659 1.00 48.52 C +ATOM 4586 CD LYS A1175 -29.780 8.180 -34.438 1.00 57.93 C +ATOM 4587 CE LYS A1175 -29.465 8.944 -35.737 1.00 71.38 C +ATOM 4588 NZ LYS A1175 -30.655 9.138 -36.585 1.00 86.87 N1+ +ATOM 4589 H LYS A1175 -30.605 4.381 -31.413 1.00 37.93 H +ATOM 4590 HA LYS A1175 -31.920 4.562 -33.929 1.00 37.53 H +ATOM 4591 HB3 LYS A1175 -29.462 5.948 -32.786 1.00 38.66 H +ATOM 4592 HB2 LYS A1175 -31.109 6.507 -32.720 1.00 38.66 H +ATOM 4593 HG3 LYS A1175 -31.100 6.660 -35.253 1.00 48.52 H +ATOM 4594 HG2 LYS A1175 -29.406 6.228 -35.246 1.00 48.52 H +ATOM 4595 HD3 LYS A1175 -28.898 8.205 -33.797 1.00 57.93 H +ATOM 4596 HD2 LYS A1175 -30.561 8.700 -33.881 1.00 57.93 H +ATOM 4597 HE3 LYS A1175 -28.705 8.416 -36.313 1.00 71.38 H +ATOM 4598 HE2 LYS A1175 -29.056 9.926 -35.497 1.00 71.38 H +ATOM 4599 HZ1 LYS A1175 -31.353 9.660 -36.073 1.00 86.87 H +ATOM 4600 HZ2 LYS A1175 -30.398 9.649 -37.418 1.00 86.87 H +ATOM 4601 HZ3 LYS A1175 -31.032 8.238 -36.845 1.00 86.87 H +ATOM 4602 N TYR A1176 -28.889 3.197 -33.995 1.00 37.88 N +ATOM 4603 CA TYR A1176 -27.868 2.567 -34.838 1.00 38.84 C +ATOM 4604 C TYR A1176 -27.921 1.028 -34.865 1.00 43.27 C +ATOM 4605 O TYR A1176 -27.210 0.447 -35.688 1.00 45.60 O +ATOM 4606 CB TYR A1176 -26.473 3.100 -34.436 1.00 39.66 C +ATOM 4607 CG TYR A1176 -26.302 4.594 -34.682 1.00 42.14 C +ATOM 4608 CD1 TYR A1176 -26.315 5.101 -35.999 1.00 44.87 C +ATOM 4609 CD2 TYR A1176 -26.162 5.487 -33.601 1.00 42.46 C +ATOM 4610 CE1 TYR A1176 -26.229 6.489 -36.227 1.00 44.19 C +ATOM 4611 CE2 TYR A1176 -26.089 6.875 -33.825 1.00 43.50 C +ATOM 4612 CZ TYR A1176 -26.135 7.378 -35.138 1.00 49.64 C +ATOM 4613 OH TYR A1176 -26.106 8.725 -35.354 1.00 54.89 O +ATOM 4614 H TYR A1176 -28.635 3.369 -33.031 1.00 37.88 H +ATOM 4615 HA TYR A1176 -28.033 2.870 -35.874 1.00 38.84 H +ATOM 4616 HB3 TYR A1176 -25.694 2.591 -35.006 1.00 39.66 H +ATOM 4617 HB2 TYR A1176 -26.271 2.873 -33.387 1.00 39.66 H +ATOM 4618 HD1 TYR A1176 -26.412 4.428 -36.839 1.00 44.87 H +ATOM 4619 HD2 TYR A1176 -26.126 5.113 -32.593 1.00 42.46 H +ATOM 4620 HE1 TYR A1176 -26.257 6.870 -37.237 1.00 44.19 H +ATOM 4621 HE2 TYR A1176 -26.007 7.551 -32.986 1.00 43.50 H +ATOM 4622 HH TYR A1176 -26.186 9.238 -34.543 1.00 54.89 H +ATOM 4623 N ARG A1177 -28.744 0.383 -34.014 1.00 37.76 N +ATOM 4624 CA ARG A1177 -28.935 -1.075 -34.023 1.00 53.07 C +ATOM 4625 C ARG A1177 -29.798 -1.553 -35.209 1.00 74.57 C +ATOM 4626 O ARG A1177 -30.502 -0.752 -35.827 1.00 46.90 O +ATOM 4627 CB ARG A1177 -29.496 -1.560 -32.664 1.00 52.87 C +ATOM 4628 CG ARG A1177 -30.982 -1.254 -32.399 1.00 64.39 C +ATOM 4629 CD ARG A1177 -31.514 -1.954 -31.138 1.00 74.69 C +ATOM 4630 NE ARG A1177 -32.978 -1.851 -31.034 1.00 82.78 N +ATOM 4631 CZ ARG A1177 -33.907 -2.569 -31.694 1.00 98.29 C +ATOM 4632 NH1 ARG A1177 -33.589 -3.553 -32.550 1.00 84.15 N +ATOM 4633 NH2 ARG A1177 -35.199 -2.283 -31.493 1.00 87.75 N1+ +ATOM 4634 H ARG A1177 -29.299 0.909 -33.353 1.00 37.76 H +ATOM 4635 HA ARG A1177 -27.950 -1.532 -34.140 1.00 53.07 H +ATOM 4636 HB3 ARG A1177 -28.888 -1.173 -31.846 1.00 52.87 H +ATOM 4637 HB2 ARG A1177 -29.369 -2.643 -32.620 1.00 52.87 H +ATOM 4638 HG3 ARG A1177 -31.630 -1.450 -33.253 1.00 64.39 H +ATOM 4639 HG2 ARG A1177 -31.028 -0.179 -32.238 1.00 64.39 H +ATOM 4640 HD3 ARG A1177 -31.155 -1.396 -30.273 1.00 74.69 H +ATOM 4641 HD2 ARG A1177 -31.139 -2.971 -31.017 1.00 74.69 H +ATOM 4642 HE ARG A1177 -33.319 -1.100 -30.445 1.00 82.78 H +ATOM 4643 HH12 ARG A1177 -34.318 -4.055 -33.040 1.00 84.15 H +ATOM 4644 HH11 ARG A1177 -32.621 -3.779 -32.721 1.00 84.15 H +ATOM 4645 HH22 ARG A1177 -35.921 -2.787 -31.991 1.00 87.75 H +ATOM 4646 HH21 ARG A1177 -35.454 -1.517 -30.880 1.00 87.75 H +HETATM 4647 N NME A1178 -29.749 -2.869 -35.465 1.00 0.00 N +HETATM 4648 C NME A1178 -30.535 -3.522 -36.502 1.00 0.00 C +HETATM 4649 H NME A1178 -29.154 -3.459 -34.899 1.00 0.00 H +HETATM 4650 H1 NME A1178 -30.743 -2.862 -37.345 1.00 0.00 H +HETATM 4651 H2 NME A1178 -29.994 -4.388 -36.884 1.00 0.00 H +HETATM 4652 H3 NME A1178 -31.485 -3.868 -36.092 1.00 0.00 H +TER 4653 NME A1178 +HETATM 4654 O HOH A1301 -7.805 13.717 -21.733 1.00 23.87 O +HETATM 4655 H1 HOH A1301 -7.442 12.805 -21.938 1.00 23.87 H +HETATM 4656 H2 HOH A1301 -7.037 14.314 -21.478 1.00 23.87 H +HETATM 4657 O HOH A1302 -7.300 4.134 -29.382 1.00 26.50 O +HETATM 4658 H1 HOH A1302 -6.564 3.946 -30.038 1.00 26.50 H +HETATM 4659 H2 HOH A1302 -8.155 4.275 -29.890 1.00 26.50 H +HETATM 4660 O HOH A1303 -21.765 11.544 -12.438 1.00 28.48 O +HETATM 4661 H1 HOH A1303 -21.483 12.499 -12.298 1.00 28.48 H +HETATM 4662 H2 HOH A1303 -21.181 10.951 -11.877 1.00 28.48 H +HETATM 4663 O HOH A1304 -9.035 2.704 -10.281 1.00 29.39 O +HETATM 4664 H1 HOH A1304 -9.409 1.932 -10.803 1.00 29.39 H +HETATM 4665 H2 HOH A1304 -9.652 3.492 -10.355 1.00 29.39 H +HETATM 4666 O HOH A1305 -10.327 13.333 -14.896 1.00 24.85 O +HETATM 4667 H1 HOH A1305 -11.176 12.866 -15.157 1.00 24.85 H +HETATM 4668 H2 HOH A1305 -10.176 13.221 -13.913 1.00 24.85 H +HETATM 4669 O HOH A1306 -11.177 8.182 -14.397 1.00 26.19 O +HETATM 4670 H1 HOH A1306 -11.137 8.958 -15.033 1.00 26.19 H +HETATM 4671 H2 HOH A1306 -11.960 8.307 -13.778 1.00 26.19 H +HETATM 4672 O HOH A1307 -5.575 15.209 -20.665 1.00 23.28 O +HETATM 4673 H1 HOH A1307 -6.230 15.538 -19.979 1.00 23.28 H +HETATM 4674 H2 HOH A1307 -4.863 14.683 -20.193 1.00 23.28 H +HETATM 4675 O HOH A1310 -7.035 2.198 -22.168 1.00 28.39 O +HETATM 4676 H1 HOH A1310 -7.249 2.734 -22.991 1.00 28.39 H +HETATM 4677 H2 HOH A1310 -6.202 2.562 -21.741 1.00 28.39 H +HETATM 4678 O HOH A1319 -24.975 8.619 -9.410 1.00 28.29 O +HETATM 4679 H1 HOH A1319 -25.977 8.575 -9.470 1.00 28.29 H +HETATM 4680 H2 HOH A1319 -24.615 7.682 -9.428 1.00 28.29 H +HETATM 4681 O HOH A1322 9.260 15.797 -22.620 1.00 33.09 O +HETATM 4682 H1 HOH A1322 9.238 15.995 -21.638 1.00 33.09 H +HETATM 4683 H2 HOH A1322 9.718 14.919 -22.770 1.00 33.09 H +HETATM 4684 O HOH A1323 -15.175 20.060 -25.940 1.00 37.91 O +HETATM 4685 H1 HOH A1323 -15.823 19.549 -25.369 1.00 37.91 H +HETATM 4686 H2 HOH A1323 -15.622 20.901 -26.256 1.00 37.91 H +HETATM 4687 O HOH A1325 -7.181 -8.809 -21.143 1.00 38.47 O +HETATM 4688 H1 HOH A1325 -6.991 -9.743 -20.831 1.00 38.47 H +HETATM 4689 H2 HOH A1325 -6.455 -8.515 -21.774 1.00 38.47 H +HETATM 4690 O HOH A1326 7.389 15.381 -18.526 1.00 32.26 O +HETATM 4691 H1 HOH A1326 8.315 15.733 -18.681 1.00 32.26 H +HETATM 4692 H2 HOH A1326 6.915 15.335 -19.410 1.00 32.26 H +HETATM 4693 O HOH A1329 -19.714 -6.468 -9.012 1.00 36.73 O +HETATM 4694 H1 HOH A1329 -19.884 -6.507 -10.000 1.00 36.73 H +HETATM 4695 H2 HOH A1329 -18.743 -6.288 -8.854 1.00 36.73 H +HETATM 4696 O HOH A1330 4.141 19.654 -16.124 1.00 36.06 O +HETATM 4697 H1 HOH A1330 5.109 19.392 -16.168 1.00 36.06 H +HETATM 4698 H2 HOH A1330 3.830 19.606 -15.174 1.00 36.06 H +HETATM 4699 O HOH A1333 4.982 16.327 -16.962 1.00 30.05 O +HETATM 4700 H1 HOH A1333 5.483 17.156 -16.704 1.00 30.05 H +HETATM 4701 H2 HOH A1333 5.635 15.674 -17.353 1.00 30.05 H +HETATM 4702 O HOH A1339 -8.401 9.401 -34.311 1.00 35.17 O +HETATM 4703 H1 HOH A1339 -8.558 8.457 -34.614 1.00 35.17 H +HETATM 4704 H2 HOH A1339 -8.352 9.426 -33.310 1.00 35.17 H +HETATM 4705 O HOH A1344 -1.246 -9.880 -2.385 1.00 46.63 O +HETATM 4706 H1 HOH A1344 -2.115 -9.784 -1.894 1.00 46.63 H +HETATM 4707 H2 HOH A1344 -0.512 -10.016 -1.717 1.00 46.63 H +HETATM 4708 O HOH A1346 -2.546 14.870 -33.057 1.00 40.94 O +HETATM 4709 H1 HOH A1346 -1.902 14.222 -33.475 1.00 40.94 H +HETATM 4710 H2 HOH A1346 -2.400 14.877 -32.065 1.00 40.94 H +HETATM 4711 O HOH A1349 -15.113 -20.319 -14.132 1.00 44.85 O +HETATM 4712 H1 HOH A1349 -15.777 -20.591 -13.428 1.00 44.85 H +HETATM 4713 H2 HOH A1349 -15.496 -19.565 -14.665 1.00 44.85 H +HETATM 4714 O HOH A1350 -21.241 18.275 -13.756 1.00 31.90 O +HETATM 4715 H1 HOH A1350 -21.949 18.493 -14.431 1.00 31.90 H +HETATM 4716 H2 HOH A1350 -20.384 18.717 -14.034 1.00 31.90 H +HETATM 4717 O HOH A1352 -12.770 -28.593 -8.238 1.00 61.97 O +HETATM 4718 H1 HOH A1352 -11.940 -28.665 -8.798 1.00 61.97 H +HETATM 4719 H2 HOH A1352 -13.089 -29.522 -8.039 1.00 61.97 H +HETATM 4720 O HOH A1353 0.753 -1.961 -23.720 1.00 67.38 O +HETATM 4721 H1 HOH A1353 1.280 -1.741 -22.898 1.00 67.38 H +HETATM 4722 H2 HOH A1353 1.234 -2.673 -24.233 1.00 67.38 H +HETATM 4723 O HOH A1356 -12.183 -25.973 -15.343 1.00 59.40 O +HETATM 4724 H1 HOH A1356 -12.353 -25.498 -14.476 1.00 59.40 H +HETATM 4725 H2 HOH A1356 -11.675 -26.817 -15.157 1.00 59.40 H +HETATM 4726 O HOH A1360 0.186 23.081 -25.812 1.00 35.26 O +HETATM 4727 H1 HOH A1360 0.760 23.841 -25.494 1.00 35.26 H +HETATM 4728 H2 HOH A1360 -0.066 22.506 -25.030 1.00 35.26 H +HETATM 4729 O HOH A1361 6.492 16.072 -23.950 1.00 37.72 O +HETATM 4730 H1 HOH A1361 7.475 15.916 -23.823 1.00 37.72 H +HETATM 4731 H2 HOH A1361 6.255 15.954 -24.918 1.00 37.72 H +HETATM 4732 O HOH A1362 -12.299 4.648 -36.322 1.00 42.24 O +HETATM 4733 H1 HOH A1362 -13.007 4.928 -36.975 1.00 42.24 H +HETATM 4734 H2 HOH A1362 -12.726 4.127 -35.581 1.00 42.24 H +HETATM 4735 O HOH A1364 -16.446 24.494 -21.075 1.00 34.81 O +HETATM 4736 H1 HOH A1364 -17.058 23.972 -21.679 1.00 34.81 H +HETATM 4737 H2 HOH A1364 -16.735 25.452 -21.068 1.00 34.81 H +HETATM 4738 O HOH A1366 -15.941 9.353 -41.405 1.00 52.63 O +HETATM 4739 H1 HOH A1366 -15.091 8.827 -41.524 1.00 52.63 H +HETATM 4740 H2 HOH A1366 -16.453 9.327 -42.264 1.00 52.63 H +HETATM 4741 O HOH A1367 -16.053 4.806 -35.554 1.00 51.77 O +HETATM 4742 H1 HOH A1367 -15.366 4.407 -34.941 1.00 51.77 H +HETATM 4743 H2 HOH A1367 -15.611 5.066 -36.416 1.00 51.77 H +HETATM 4744 O HOH A1374 -11.258 22.843 -15.256 1.00 45.38 O +HETATM 4745 H1 HOH A1374 -11.414 21.917 -14.904 1.00 45.38 H +HETATM 4746 H2 HOH A1374 -11.922 23.020 -15.986 1.00 45.38 H +HETATM 4747 O HOH A1379 1.460 25.653 -25.134 1.00 53.63 O +HETATM 4748 H1 HOH A1379 1.558 25.650 -24.132 1.00 53.63 H +HETATM 4749 H2 HOH A1379 1.812 26.519 -25.489 1.00 53.63 H +HETATM 4750 O HOH A1381 -10.785 -4.363 -35.468 1.00 52.69 O +HETATM 4751 H1 HOH A1381 -10.882 -4.287 -34.472 1.00 52.69 H +HETATM 4752 H2 HOH A1381 -9.819 -4.506 -35.690 1.00 52.69 H +HETATM 4753 O HOH A1382 11.586 21.266 -17.552 1.00 44.12 O +HETATM 4754 H1 HOH A1382 12.072 22.022 -17.992 1.00 44.12 H +HETATM 4755 H2 HOH A1382 11.771 21.284 -16.568 1.00 44.12 H +HETATM 4756 O HOH A1388 -20.268 13.044 -1.959 1.00 51.68 O +HETATM 4757 H1 HOH A1388 -19.953 13.996 -1.925 1.00 51.68 H +HETATM 4758 H2 HOH A1388 -19.556 12.459 -1.568 1.00 51.68 H +HETATM 4759 O HOH A1394 -8.203 1.938 -4.105 1.00 43.33 O +HETATM 4760 H1 HOH A1394 -8.463 1.333 -4.861 1.00 43.33 H +HETATM 4761 H2 HOH A1394 -8.767 2.767 -4.151 1.00 43.33 H +HETATM 4762 O HOH A1396 -27.765 -2.906 -18.989 1.00 50.68 O +HETATM 4763 H1 HOH A1396 -27.731 -1.905 -18.908 1.00 50.68 H +HETATM 4764 H2 HOH A1396 -27.014 -3.284 -18.440 1.00 50.68 H +HETATM 4765 O HOH A1397 -30.874 11.872 -15.139 1.00 52.33 O +HETATM 4766 H1 HOH A1397 -30.767 11.983 -14.146 1.00 52.33 H +HETATM 4767 H2 HOH A1397 -30.470 10.998 -15.416 1.00 52.33 H +HETATM 4768 O HOH A1400 -36.880 -3.993 -33.716 1.00 50.72 O +HETATM 4769 H1 HOH A1400 -37.147 -3.437 -34.504 1.00 50.72 H +HETATM 4770 H2 HOH A1400 -37.524 -4.752 -33.618 1.00 50.72 H +HETATM 4771 O HOH A1401 -24.206 -1.279 -35.770 1.00 53.88 O +HETATM 4772 H1 HOH A1401 -23.632 -1.063 -36.562 1.00 53.88 H +HETATM 4773 H2 HOH A1401 -25.118 -0.889 -35.914 1.00 53.88 H +HETATM 4774 O HOH A1406 -1.292 8.841 -35.635 1.00 44.73 O +HETATM 4775 H1 HOH A1406 -1.662 8.240 -34.923 1.00 44.73 H +HETATM 4776 H2 HOH A1406 -0.648 9.487 -35.214 1.00 44.73 H +HETATM 4777 O HOH A1412 -0.946 21.652 -15.116 1.00 53.19 O +HETATM 4778 H1 HOH A1412 -1.600 21.432 -15.844 1.00 53.19 H +HETATM 4779 H2 HOH A1412 -1.078 21.016 -14.353 1.00 53.19 H +HETATM 4780 O HOH A1415 -23.399 -9.578 -15.048 1.00 55.01 O +HETATM 4781 H1 HOH A1415 -23.421 -8.698 -15.526 1.00 55.01 H +HETATM 4782 H2 HOH A1415 -24.267 -10.053 -15.194 1.00 55.01 H +HETATM 4783 O HOH A1416 5.715 22.275 -28.185 1.00110.14 O +HETATM 4784 H1 HOH A1416 6.698 22.109 -28.267 1.00110.14 H +HETATM 4785 H2 HOH A1416 5.253 21.393 -28.063 1.00110.14 H +HETATM 4786 O HOH A1417 -27.286 10.455 -33.143 1.00 53.90 O +HETATM 4787 H1 HOH A1417 -27.557 11.412 -33.288 1.00 53.90 H +HETATM 4788 H2 HOH A1417 -27.516 10.197 -32.205 1.00 53.90 H +HETATM 4789 O HOH A1419 -33.125 0.444 -35.100 1.00 58.72 O +HETATM 4790 H1 HOH A1419 -32.946 1.047 -34.319 1.00 58.72 H +HETATM 4791 H2 HOH A1419 -32.253 0.120 -35.472 1.00 58.72 H +CONECT 1 4 5 6 +CONECT 4 1 +CONECT 5 1 +CONECT 6 1 +CONECT 4654 4655 4656 +CONECT 4655 4654 +CONECT 4656 4654 +CONECT 4657 4658 4659 +CONECT 4658 4657 +CONECT 4659 4657 +CONECT 4660 4661 4662 +CONECT 4661 4660 +CONECT 4662 4660 +CONECT 4663 4664 4665 +CONECT 4664 4663 +CONECT 4665 4663 +CONECT 4666 4667 4668 +CONECT 4667 4666 +CONECT 4668 4666 +CONECT 4669 4670 4671 +CONECT 4670 4669 +CONECT 4671 4669 +CONECT 4672 4673 4674 +CONECT 4673 4672 +CONECT 4674 4672 +CONECT 4675 4676 4677 +CONECT 4676 4675 +CONECT 4677 4675 +CONECT 4678 4679 4680 +CONECT 4679 4678 +CONECT 4680 4678 +CONECT 4681 4682 4683 +CONECT 4682 4681 +CONECT 4683 4681 +CONECT 4684 4685 4686 +CONECT 4685 4684 +CONECT 4686 4684 +CONECT 4687 4688 4689 +CONECT 4688 4687 +CONECT 4689 4687 +CONECT 4690 4691 4692 +CONECT 4691 4690 +CONECT 4692 4690 +CONECT 4693 4694 4695 +CONECT 4694 4693 +CONECT 4695 4693 +CONECT 4696 4697 4698 +CONECT 4697 4696 +CONECT 4698 4696 +CONECT 4699 4700 4701 +CONECT 4700 4699 +CONECT 4701 4699 +CONECT 4702 4703 4704 +CONECT 4703 4702 +CONECT 4704 4702 +CONECT 4705 4706 4707 +CONECT 4706 4705 +CONECT 4707 4705 +CONECT 4708 4709 4710 +CONECT 4709 4708 +CONECT 4710 4708 +CONECT 4711 4712 4713 +CONECT 4712 4711 +CONECT 4713 4711 +CONECT 4714 4715 4716 +CONECT 4715 4714 +CONECT 4716 4714 +CONECT 4717 4718 4719 +CONECT 4718 4717 +CONECT 4719 4717 +CONECT 4720 4721 4722 +CONECT 4721 4720 +CONECT 4722 4720 +CONECT 4723 4724 4725 +CONECT 4724 4723 +CONECT 4725 4723 +CONECT 4726 4727 4728 +CONECT 4727 4726 +CONECT 4728 4726 +CONECT 4729 4730 4731 +CONECT 4730 4729 +CONECT 4731 4729 +CONECT 4732 4733 4734 +CONECT 4733 4732 +CONECT 4734 4732 +CONECT 4735 4736 4737 +CONECT 4736 4735 +CONECT 4737 4735 +CONECT 4738 4739 4740 +CONECT 4739 4738 +CONECT 4740 4738 +CONECT 4741 4742 4743 +CONECT 4742 4741 +CONECT 4743 4741 +CONECT 4744 4745 4746 +CONECT 4745 4744 +CONECT 4746 4744 +CONECT 4747 4748 4749 +CONECT 4748 4747 +CONECT 4749 4747 +CONECT 4750 4751 4752 +CONECT 4751 4750 +CONECT 4752 4750 +CONECT 4753 4754 4755 +CONECT 4754 4753 +CONECT 4755 4753 +CONECT 4756 4757 4758 +CONECT 4757 4756 +CONECT 4758 4756 +CONECT 4759 4760 4761 +CONECT 4760 4759 +CONECT 4761 4759 +CONECT 4762 4763 4764 +CONECT 4763 4762 +CONECT 4764 4762 +CONECT 4765 4766 4767 +CONECT 4766 4765 +CONECT 4767 4765 +CONECT 4768 4769 4770 +CONECT 4769 4768 +CONECT 4770 4768 +CONECT 4771 4772 4773 +CONECT 4772 4771 +CONECT 4773 4771 +CONECT 4774 4775 4776 +CONECT 4775 4774 +CONECT 4776 4774 +CONECT 4777 4778 4779 +CONECT 4778 4777 +CONECT 4779 4777 +CONECT 4780 4781 4782 +CONECT 4781 4780 +CONECT 4782 4780 +CONECT 4783 4784 4785 +CONECT 4784 4783 +CONECT 4785 4783 +CONECT 4786 4787 4788 +CONECT 4787 4786 +CONECT 4788 4786 +CONECT 4789 4790 4791 +CONECT 4790 4789 +CONECT 4791 4789 +END diff --git a/easyCampaign/molecules/rhfe/benzenes_RHFE.sdf b/easy_campaign/molecules/rhfe/benzenes_RHFE.sdf similarity index 100% rename from easyCampaign/molecules/rhfe/benzenes_RHFE.sdf rename to easy_campaign/molecules/rhfe/benzenes_RHFE.sdf diff --git a/openmm-rbfe/ApplyingProtocolToNetworkQuickrunDemo.ipynb b/openmm_rbfe/ApplyingProtocolToNetworkQuickrunDemo.ipynb similarity index 100% rename from openmm-rbfe/ApplyingProtocolToNetworkQuickrunDemo.ipynb rename to openmm_rbfe/ApplyingProtocolToNetworkQuickrunDemo.ipynb diff --git a/openmm-rbfe/OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb b/openmm_rbfe/OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb similarity index 100% rename from openmm-rbfe/OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb rename to openmm_rbfe/OpenFE_showcase_1_RBFE_of_T4lysozyme.ipynb diff --git a/openmm-rbfe/__init__.py b/openmm_rbfe/__init__.py similarity index 100% rename from openmm-rbfe/__init__.py rename to openmm_rbfe/__init__.py diff --git a/openmm-rbfe/assets/RBFE_workflow.drawio.pdf b/openmm_rbfe/assets/RBFE_workflow.drawio.pdf similarity index 100% rename from openmm-rbfe/assets/RBFE_workflow.drawio.pdf rename to openmm_rbfe/assets/RBFE_workflow.drawio.pdf diff --git a/openmm-rbfe/benchmark_demo.ipynb b/openmm_rbfe/benchmark_demo.ipynb similarity index 100% rename from openmm-rbfe/benchmark_demo.ipynb rename to openmm_rbfe/benchmark_demo.ipynb diff --git a/openmm-rbfe/inputs/181L_mod.pdb b/openmm_rbfe/inputs/181L_mod.pdb similarity index 100% rename from openmm-rbfe/inputs/181L_mod.pdb rename to openmm_rbfe/inputs/181L_mod.pdb diff --git a/openmm-rbfe/inputs/181L_mod_capped.pdb b/openmm_rbfe/inputs/181L_mod_capped.pdb similarity index 100% rename from openmm-rbfe/inputs/181L_mod_capped.pdb rename to openmm_rbfe/inputs/181L_mod_capped.pdb diff --git a/openmm-rbfe/inputs/181L_mod_capped_protonated.pdb b/openmm_rbfe/inputs/181L_mod_capped_protonated.pdb similarity index 100% rename from openmm-rbfe/inputs/181L_mod_capped_protonated.pdb rename to openmm_rbfe/inputs/181L_mod_capped_protonated.pdb diff --git a/openmm-rbfe/inputs/Jnk1_ligands.sdf b/openmm_rbfe/inputs/Jnk1_ligands.sdf similarity index 100% rename from openmm-rbfe/inputs/Jnk1_ligands.sdf rename to openmm_rbfe/inputs/Jnk1_ligands.sdf diff --git a/openmm-rbfe/inputs/README.md b/openmm_rbfe/inputs/README.md similarity index 100% rename from openmm-rbfe/inputs/README.md rename to openmm_rbfe/inputs/README.md diff --git a/openmm-rbfe/inputs/anisole.sdf b/openmm_rbfe/inputs/anisole.sdf similarity index 100% rename from openmm-rbfe/inputs/anisole.sdf rename to openmm_rbfe/inputs/anisole.sdf diff --git a/openmm-rbfe/inputs/benzaldehyde.sdf b/openmm_rbfe/inputs/benzaldehyde.sdf similarity index 100% rename from openmm-rbfe/inputs/benzaldehyde.sdf rename to openmm_rbfe/inputs/benzaldehyde.sdf diff --git a/openmm-rbfe/inputs/benzene.pdb b/openmm_rbfe/inputs/benzene.pdb similarity index 100% rename from openmm-rbfe/inputs/benzene.pdb rename to openmm_rbfe/inputs/benzene.pdb diff --git a/openmm-rbfe/inputs/benzene.sdf b/openmm_rbfe/inputs/benzene.sdf similarity index 100% rename from openmm-rbfe/inputs/benzene.sdf rename to openmm_rbfe/inputs/benzene.sdf diff --git a/openmm-rbfe/inputs/benzonitrile.sdf b/openmm_rbfe/inputs/benzonitrile.sdf similarity index 100% rename from openmm-rbfe/inputs/benzonitrile.sdf rename to openmm_rbfe/inputs/benzonitrile.sdf diff --git a/openmm-rbfe/inputs/ligands.sdf b/openmm_rbfe/inputs/ligands.sdf similarity index 100% rename from openmm-rbfe/inputs/ligands.sdf rename to openmm_rbfe/inputs/ligands.sdf diff --git a/openmm-rbfe/inputs/morphine.sdf b/openmm_rbfe/inputs/morphine.sdf similarity index 100% rename from openmm-rbfe/inputs/morphine.sdf rename to openmm_rbfe/inputs/morphine.sdf diff --git a/openmm-rbfe/inputs/oxycodone.sdf b/openmm_rbfe/inputs/oxycodone.sdf similarity index 100% rename from openmm-rbfe/inputs/oxycodone.sdf rename to openmm_rbfe/inputs/oxycodone.sdf diff --git a/openmm-rbfe/inputs/phenol.pdb b/openmm_rbfe/inputs/phenol.pdb similarity index 100% rename from openmm-rbfe/inputs/phenol.pdb rename to openmm_rbfe/inputs/phenol.pdb diff --git a/openmm-rbfe/inputs/phenol.sdf b/openmm_rbfe/inputs/phenol.sdf similarity index 100% rename from openmm-rbfe/inputs/phenol.sdf rename to openmm_rbfe/inputs/phenol.sdf diff --git a/openmm-rbfe/inputs/styrene.sdf b/openmm_rbfe/inputs/styrene.sdf similarity index 100% rename from openmm-rbfe/inputs/styrene.sdf rename to openmm_rbfe/inputs/styrene.sdf diff --git a/openmm-rbfe/inputs/toluene.sdf b/openmm_rbfe/inputs/toluene.sdf similarity index 100% rename from openmm-rbfe/inputs/toluene.sdf rename to openmm_rbfe/inputs/toluene.sdf From 9b03ac0e953ff2c7f36bfa40a371a9bbf66d3a73 Mon Sep 17 00:00:00 2001 From: richard gowers Date: Tue, 2 May 2023 15:56:54 +0100 Subject: [PATCH 2/2] update CI target --- .github/workflows/CI.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 266d8b7..236e34a 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -62,4 +62,4 @@ jobs: - name: Run example notebooks run: | - python -m pytest -v setup/ openmm-rbfe/ networks/ --nbval-lax -n auto --dist loadscope + python -m pytest -v setup/ openmm_rbfe/ networks/ --nbval-lax -n auto --dist loadscope