From 8cc4935185e2d91912e86632ad673e51ab5387bd Mon Sep 17 00:00:00 2001 From: e-mayo Date: Mon, 9 Aug 2021 11:39:03 -0400 Subject: [PATCH] checkpoint: before switching to dev after git pull origin master --- data/config_dock_sample.txt | 74 + data/config_ledock_sample.in | 18 + data/config_plants_speed4.txt | 6 + data/config_vina_ex1.txt | 10 + data/config_vina_ex2.txt | 9 + data/ligands/lig_3ebh.mol2 | 110 + data/ligands/lig_5y19.mol2 | 106 + data/ligands/lig_5y1k.mol2 | 88 + mscreen/10_test_mscreenCLI_prepare.bat | 17 + mscreen/11_test_mscreenCLI_screening.bat | 52 + mscreen/12_test_mscreenCLI_analysis.bat | 37 + .../AutoDockTools/Utilities24/Untitled-1.py | 140 + .../AutoDockTools/Utilities24/file.gpf | 1 + .../AutoDockTools/lig_3ebh-prep.pdbqt | 63 + .../AutoDockTools/rec_3ebh-prep.pdbqt | 8977 +++++++++++++++++ mscreen/screening/AD4Zn.dat | 121 + mscreen/screening/prepare_autodock.py | 231 + mscreen/screening/prepare_autodockzn.py | 94 + mscreen/screening/prepare_gpf4zn.py | 327 + mscreen/screening/run_autodockzn.py | 66 + mscreen/screening/zinc_pseudo.py | 630 ++ requirements.txt | 146 + test/00_test_mscreenCLI_prepare.sh | 30 + test/01_test_mscreenCLI_screening.sh | 61 + test/02_test_mscreenCLI_analysis.sh | 24 + test/10_test_mscreenCLI_prepare.bat | 17 + test/11_test_mscreenCLI_screening.bat | 52 + test/12_test_mscreenCLI_analysis.bat | 37 + test/test_mscreenCLI_prepare.bat | 12 + test/test_mscreenCLI_screening.bat | 25 + test/test_mscreenCLI_screening.sh | 20 + 31 files changed, 11601 insertions(+) create mode 100644 data/config_dock_sample.txt create mode 100644 data/config_ledock_sample.in create mode 100644 data/config_plants_speed4.txt create mode 100644 data/config_vina_ex1.txt create mode 100644 data/config_vina_ex2.txt create mode 100644 data/ligands/lig_3ebh.mol2 create mode 100644 data/ligands/lig_5y19.mol2 create mode 100644 data/ligands/lig_5y1k.mol2 create mode 100644 mscreen/10_test_mscreenCLI_prepare.bat create mode 100644 mscreen/11_test_mscreenCLI_screening.bat create mode 100644 mscreen/12_test_mscreenCLI_analysis.bat create mode 100644 mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/Untitled-1.py create mode 100644 mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/file.gpf create mode 100644 mscreen/autodocktools_prepare_py3k/AutoDockTools/lig_3ebh-prep.pdbqt create mode 100644 mscreen/autodocktools_prepare_py3k/AutoDockTools/rec_3ebh-prep.pdbqt create mode 100644 mscreen/screening/AD4Zn.dat create mode 100644 mscreen/screening/prepare_autodock.py create mode 100644 mscreen/screening/prepare_autodockzn.py create mode 100644 mscreen/screening/prepare_gpf4zn.py create mode 100644 mscreen/screening/run_autodockzn.py create mode 100644 mscreen/screening/zinc_pseudo.py create mode 100644 requirements.txt create mode 100644 test/00_test_mscreenCLI_prepare.sh create mode 100644 test/01_test_mscreenCLI_screening.sh create mode 100644 test/02_test_mscreenCLI_analysis.sh create mode 100644 test/10_test_mscreenCLI_prepare.bat create mode 100644 test/11_test_mscreenCLI_screening.bat create mode 100644 test/12_test_mscreenCLI_analysis.bat create mode 100644 test/test_mscreenCLI_prepare.bat create mode 100644 test/test_mscreenCLI_screening.bat create mode 100644 test/test_mscreenCLI_screening.sh diff --git a/data/config_dock_sample.txt b/data/config_dock_sample.txt new file mode 100644 index 0000000..65d9854 --- /dev/null +++ b/data/config_dock_sample.txt @@ -0,0 +1,74 @@ +conformer_search_type flex +write_fragment_libraries no +user_specified_anchor no +limit_max_anchors no +min_anchor_size 5 +pruning_use_clustering yes +pruning_max_orients 1000 +pruning_clustering_cutoff 100 +pruning_conformer_score_cutoff 100.0 +pruning_conformer_score_scaling_factor 1.0 +use_clash_overlap no +write_growth_tree no +use_internal_energy yes +internal_energy_rep_exp 12 +internal_energy_cutoff 100.0 +ligand_atom_file dock_structures/out_folder/here/lig_3ebh.mol2 +limit_max_ligands no +skip_molecule no +read_mol_solvation no +calculate_rmsd no +use_database_filter no +orient_ligand yes +automated_matching yes +receptor_site_file dock_structures/out_folder/here/frag-rec_3ebh-sele.sph +max_orientations 1000 +critical_points no +chemical_matching no +use_ligand_spheres no +bump_filter no +score_molecules yes +contact_score_primary no +contact_score_secondary no +grid_score_primary yes +grid_score_secondary no +grid_score_rep_rad_scale 1 +grid_score_vdw_scale 1 +grid_score_es_scale 1 +grid_score_grid_prefix dock_structures/out_folder/here/rec_3ebh-grid +multigrid_score_secondary no +dock3.5_score_secondary no +continuous_score_secondary no +footprint_similarity_score_secondary no +pharmacophore_score_secondary no +descriptor_score_secondary no +gbsa_zou_score_secondary no +gbsa_hawkins_score_secondary no +SASA_score_secondary no +amber_score_secondary no +minimize_ligand yes +minimize_anchor yes +minimize_flexible_growth yes +use_advanced_simplex_parameters no +simplex_max_cycles 1 +simplex_score_converge 0.1 +simplex_cycle_converge 1.0 +simplex_trans_step 1.0 +simplex_rot_step 0.1 +simplex_tors_step 10.0 +simplex_anchor_max_iterations 500 +simplex_grow_max_iterations 500 +simplex_grow_tors_premin_iterations 0 +simplex_random_seed 0 +simplex_restraint_min no +atom_model all +vdw_defn_file /home/edd/dock6/parameters/vdw_AMBER_parm99.defn +flex_defn_file /home/edd/dock6/parameters/flex.defn +flex_drive_file /home/edd/dock6/parameters/flex_drive.tbl +ligand_outfile_prefix dock_structures/out_folder/dock_out/rec_3ebh-flex-out +write_orientations yes +num_scored_conformers 25 +write_conformations yes +cluster_conformations yes +cluster_rmsd_threshold 2 +rank_ligands no diff --git a/data/config_ledock_sample.in b/data/config_ledock_sample.in new file mode 100644 index 0000000..7c2d5fd --- /dev/null +++ b/data/config_ledock_sample.in @@ -0,0 +1,18 @@ +Receptor +pro.pdb + +RMSD +1.0 + +Binding pocket +45.3 62.6 +-25.9 -12.9 +29.7 47.1 + +Number of binding poses +20 + +Ligands list +ligand.list + +END diff --git a/data/config_plants_speed4.txt b/data/config_plants_speed4.txt new file mode 100644 index 0000000..c2b0b7f --- /dev/null +++ b/data/config_plants_speed4.txt @@ -0,0 +1,6 @@ +search_speed speed4 +bindingsite_center 53.96 -19.14 38.39 +bindingsite_radius 13.77 +cluster_rmsd 2.0 +cluster_structures 10 +output_dir /folder/out diff --git a/data/config_vina_ex1.txt b/data/config_vina_ex1.txt new file mode 100644 index 0000000..dbee841 --- /dev/null +++ b/data/config_vina_ex1.txt @@ -0,0 +1,10 @@ +center_x = 54.0 +center_y = -19.1 +center_z = 38.4 +size_x = 17.3 +size_y = 12.4 +size_z = 17.4 +exhaustiveness = 1 +num_modes = 10 + + diff --git a/data/config_vina_ex2.txt b/data/config_vina_ex2.txt new file mode 100644 index 0000000..eef288b --- /dev/null +++ b/data/config_vina_ex2.txt @@ -0,0 +1,9 @@ +center_x = 62.467 +center_y = 4.815 +center_z = -32.164 +size_x = 40 +size_y = 40 +size_z = 40 +exhaustiveness = 2 +num_modes = 10 + diff --git a/data/ligands/lig_3ebh.mol2 b/data/ligands/lig_3ebh.mol2 new file mode 100644 index 0000000..3dbcc72 --- /dev/null +++ b/data/ligands/lig_3ebh.mol2 @@ -0,0 +1,110 @@ +@MOLECULE +pdb3ebh.ent_out_ok +46 46 2 +SMALL +GASTEIGER + +@DICT + +@ATOM + 1 C 12.6320 12.0820 12.4700 C.3 0 UNK0 0.0000 + 2 C 13.4180 12.2750 11.1510 C.3 0 UNK0 0.0000 + 3 N 11.3380 12.7770 12.4720 N.4 0 UNK0 1.0000 + 4 O 12.5430 12.5120 10.0700 O.3 0 UNK0 0.0000 + 5 C 14.2020 11.0080 10.8320 C.2 0 UNK0 0.0000 + 6 O 13.5950 10.0060 10.4860 O.2 0 UNK0 0.0000 + 7 C 13.4950 12.4790 13.6740 C.3 0 UNK0 0.0000 + 8 C 13.0550 11.8350 14.9690 C.ar 0 UNK0 0.0000 + 9 C 12.2090 12.5230 15.8580 C.ar 0 UNK0 0.0000 + 10 C 11.8480 11.9320 17.0820 C.ar 0 UNK0 0.0000 + 11 C 12.3420 10.6610 17.4250 C.ar 0 UNK0 0.0000 + 12 C 13.1790 9.9650 16.5320 C.ar 0 UNK0 0.0000 + 13 C 13.5270 10.5470 15.2990 C.ar 0 UNK0 0.0000 + 14 H 13.0490 12.8240 9.3400 H 0 UNK0 0.0000 + 15 H 12.3680 11.0320 12.5840 H 0 UNK0 0.0000 + 16 H 14.0750 13.1420 11.2290 H 0 UNK0 0.0000 + 17 H 11.8450 13.5060 15.5980 H 0 UNK0 0.0000 + 18 H 11.1880 12.4480 17.7590 H 0 UNK0 0.0000 + 19 H 12.0650 10.2100 18.3670 H 0 UNK0 0.0000 + 20 H 13.5490 8.9850 16.7880 H 0 UNK0 0.0000 + 21 H 14.1750 10.0130 14.6220 H 0 UNK0 0.0000 + 22 H 10.5390 12.0500 12.4720 H 0 UNK0 0.0000 + 23 H 11.2630 13.3950 13.3540 H 0 UNK0 0.0000 + 24 H 11.2610 13.3960 11.5910 H 0 UNK0 0.0000 + 25 H 13.5400 13.5640 13.7860 H 0 UNK0 0.0000 + 26 H 14.5190 12.1470 13.5030 H 0 UNK0 0.0000 + 27 N 15.5280 11.0210 10.9640 N.am 1 LEU1 0.0000 + 28 O 18.1440 8.6930 11.8020 O.co2 1 LEU1 -0.5000 + 29 CA 16.3760 9.8600 10.7000 C.3 1 LEU1 0.0000 + 30 OXT 17.5450 10.6850 12.5800 O.co2 1 LEU1 -0.5000 + 31 C 17.4530 9.7350 11.7760 C.2 1 LEU1 0.0000 + 32 CB 16.8770 9.9290 9.2380 C.3 1 LEU1 0.0000 + 33 CG 17.3260 8.5990 8.6000 C.3 1 LEU1 0.0000 + 34 CD2 16.2240 7.5230 8.6300 C.3 1 LEU1 0.0000 + 35 CD1 17.7800 8.8470 7.1540 C.3 1 LEU1 0.0000 + 36 H 15.9880 11.8670 11.2710 H 1 LEU1 0.0000 + 37 HA 15.7730 8.9640 10.8350 H 1 LEU1 0.0000 + 38 HG 18.1860 8.2260 9.1530 H 1 LEU1 0.0000 + 39 HB1 17.6850 10.6590 9.1710 H 1 LEU1 0.0000 + 40 HB2 16.0820 10.3340 8.6110 H 1 LEU1 0.0000 + 41 HD21 16.5150 6.6520 8.0460 H 1 LEU1 0.0000 + 42 HD22 16.0380 7.1630 9.6410 H 1 LEU1 0.0000 + 43 HD23 15.2850 7.8960 8.2210 H 1 LEU1 0.0000 + 44 HD11 18.1280 7.9340 6.6730 H 1 LEU1 0.0000 + 45 HD12 16.9680 9.2410 6.5490 H 1 LEU1 0.0000 + 46 HD13 18.5930 9.5670 7.1070 H 1 LEU1 0.0000 +@BOND + 1 1 3 1 + 2 1 15 1 + 3 1 2 1 + 4 1 7 1 + 5 27 5 am + 6 27 29 1 + 7 27 36 1 + 8 28 31 ar + 9 2 4 1 + 10 2 5 1 + 11 2 16 1 + 12 3 22 1 + 13 3 23 1 + 14 3 24 1 + 15 4 14 1 + 16 5 6 2 + 17 29 31 1 + 18 29 32 1 + 19 29 37 1 + 20 30 31 ar + 21 7 25 1 + 22 7 26 1 + 23 7 8 1 + 24 8 13 ar + 25 8 9 ar + 26 9 10 ar + 27 9 17 1 + 28 10 11 ar + 29 10 18 1 + 30 11 12 ar + 31 11 19 1 + 32 12 13 ar + 33 12 20 1 + 34 13 21 1 + 35 32 39 1 + 36 32 33 1 + 37 32 40 1 + 38 33 38 1 + 39 33 34 1 + 40 33 35 1 + 41 34 41 1 + 42 34 43 1 + 43 34 42 1 + 44 35 45 1 + 45 35 44 1 + 46 35 46 1 +@SUBSTRUCTURE +1 UNK0 1 +2 LEU1 27 +@COMMENT +0.0000 +L + + diff --git a/data/ligands/lig_5y19.mol2 b/data/ligands/lig_5y19.mol2 new file mode 100644 index 0000000..e98d9be --- /dev/null +++ b/data/ligands/lig_5y19.mol2 @@ -0,0 +1,106 @@ +@MOLECULE +pdb5y19.ent_out_ok + 49 49 0 0 0 +SMALL +GASTEIGER + +@ATOM + 1 N 11.5300 12.8000 12.8220 N.4 1 LIG 0.3822 + 2 C 12.7480 11.9890 12.6790 C.3 1 LIG -0.0443 + 3 C 13.4500 12.2270 11.3130 C.3 1 LIG 0.1186 + 4 O 12.4890 12.4620 10.3130 O.3 1 LIG -0.3842 + 5 C 13.7100 12.2270 13.8530 C.3 1 LIG -0.0379 + 6 C 13.2330 11.6380 15.1670 C.ar 1 LIG -0.0488 + 7 C 13.6500 10.3460 15.5510 C.ar 1 LIG -0.0586 + 8 C 12.4000 12.3850 16.0210 C.ar 1 LIG -0.0586 + 9 C 13.2640 9.8200 16.7980 C.ar 1 LIG -0.0615 + 10 C 11.9960 11.8470 17.2580 C.ar 1 LIG -0.0615 + 11 C 12.4350 10.5710 17.6530 C.ar 1 LIG -0.0617 + 12 N 15.5520 10.9890 10.9700 N.am 1 LIG -0.3019 + 13 O 13.5750 10.0200 10.4680 O.2 1 LIG -0.2730 + 14 N 18.3650 8.7020 11.6340 N.am 1 LIG -0.1960 + 15 O 17.5630 10.5550 12.6420 O.2 1 LIG -0.2717 + 16 O 19.0030 8.3370 12.8400 O.3 1 LIG -0.2951 + 17 C 14.2170 10.9780 10.8840 C.2 1 LIG 0.2406 + 18 C 16.4210 9.8520 10.6600 C.3 1 LIG 0.1016 + 19 C 16.8830 9.9270 9.1810 C.3 1 LIG -0.0236 + 20 C 17.4130 8.6180 8.5440 C.3 1 LIG -0.0446 + 21 C 17.8570 8.8540 7.0940 C.3 1 LIG -0.0626 + 22 C 16.3820 7.4780 8.5910 C.3 1 LIG -0.0626 + 23 C 17.5250 9.7430 11.7180 C.2 1 LIG 0.2558 + 24 H 16.0070 11.8350 11.2900 H 1 LIG 0.1495 + 25 H 18.2580 7.8940 11.0330 H 1 LIG 0.1823 + 26 H 12.3970 10.9580 12.7300 H 1 LIG 0.0117 + 27 H 13.8910 13.2960 13.9790 H 1 LIG 0.0298 + 28 H 14.6800 11.7840 13.6270 H 1 LIG 0.0298 + 29 H 14.2890 9.7640 14.9020 H 1 LIG 0.0620 + 30 H 12.0760 13.3740 15.7320 H 1 LIG 0.0620 + 31 H 13.5950 8.8360 17.0960 H 1 LIG 0.0618 + 32 H 11.3510 12.4110 17.9090 H 1 LIG 0.0618 + 33 H 12.1280 10.1640 18.6050 H 1 LIG 0.0618 + 34 H 12.9280 12.7860 9.5420 H 1 LIG 0.2103 + 35 H 18.4950 8.7930 13.4960 H 1 LIG 0.2414 + 36 H 14.1010 13.0980 11.3580 H 1 LIG 0.0673 + 37 H 10.6670 12.1510 12.8570 H 1 LIG -0.0895 + 38 H 11.5850 13.3750 13.7350 H 1 LIG -0.0895 + 39 H 11.4430 13.4700 11.9790 H 1 LIG -0.0895 + 40 H 15.8310 8.9510 10.7990 H 1 LIG 0.0595 + 41 H 18.3020 8.2930 9.0800 H 1 LIG 0.0296 + 42 H 17.6360 10.7110 9.0840 H 1 LIG 0.0290 + 43 H 16.0440 10.2670 8.5730 H 1 LIG 0.0290 + 44 H 18.2580 7.9440 6.6470 H 1 LIG 0.0232 + 45 H 17.0240 9.1890 6.4800 H 1 LIG 0.0232 + 46 H 18.6340 9.6090 7.0300 H 1 LIG 0.0232 + 47 H 16.7290 6.6130 8.0310 H 1 LIG 0.0232 + 48 H 16.2010 7.1310 9.6070 H 1 LIG 0.0232 + 49 H 15.4270 7.7850 8.1610 H 1 LIG 0.0232 +@BOND + 1 45 21 1 + 2 44 21 1 + 3 46 21 1 + 4 21 20 1 + 5 47 22 1 + 6 49 22 1 + 7 20 22 1 + 8 20 41 1 + 9 20 19 1 + 10 43 19 1 + 11 22 48 1 + 12 42 19 1 + 13 19 18 1 + 14 34 4 1 + 15 4 3 1 + 16 13 17 2 + 17 18 40 1 + 18 18 12 1 + 19 18 23 1 + 20 17 12 am + 21 17 3 1 + 22 12 24 1 + 23 25 14 1 + 24 3 36 1 + 25 3 2 1 + 26 14 23 am + 27 14 16 1 + 28 23 15 2 + 29 39 1 1 + 30 2 26 1 + 31 2 1 1 + 32 2 5 1 + 33 1 37 1 + 34 1 38 1 + 35 16 35 1 + 36 28 5 1 + 37 5 27 1 + 38 5 6 1 + 39 29 7 1 + 40 6 7 ar + 41 6 8 ar + 42 7 9 ar + 43 30 8 1 + 44 8 10 ar + 45 9 31 1 + 46 9 11 ar + 47 10 11 ar + 48 10 32 1 + 49 11 33 1 diff --git a/data/ligands/lig_5y1k.mol2 b/data/ligands/lig_5y1k.mol2 new file mode 100644 index 0000000..8f54b80 --- /dev/null +++ b/data/ligands/lig_5y1k.mol2 @@ -0,0 +1,88 @@ +@MOLECULE +pdb5y1k.ent_out_ok + 40 40 0 0 0 +SMALL +GASTEIGER + +@ATOM + 1 N 12.3230 12.0220 16.1200 N.am 1 LIG -0.2952 + 2 C 12.4680 12.1850 17.5550 C.3 1 LIG 0.0397 + 3 O 14.2590 13.0010 15.4430 O.2 1 LIG -0.2528 + 4 C 12.8150 10.8650 18.2440 C.ar 1 LIG -0.0120 + 5 C 12.0890 10.4040 19.3670 C.ar 1 LIG 0.0456 + 6 C 13.8740 10.0660 17.7550 C.ar 1 LIG -0.0557 + 7 C 12.4250 9.1820 19.9770 C.ar 1 LIG -0.0431 + 8 CL 10.7690 11.2920 20.0170 Cl 1 LIG -0.0832 + 9 N 13.1400 11.4900 14.1630 N.am 1 LIG -0.2908 + 10 O 12.9170 10.4080 11.3260 O.2 1 LIG -0.5402 + 11 C 13.4590 8.3840 19.4680 C.ar 1 LIG -0.0604 + 12 N 13.8390 12.4260 11.1620 N.am 1 LIG -0.3096 + 13 O 13.2470 12.7240 10.0000 O.3 1 LIG -0.4229 + 14 C 14.1840 8.8330 18.3540 C.ar 1 LIG -0.0614 + 15 C 13.2920 12.2670 15.2360 C.2 1 LIG 0.3004 + 16 C 14.1860 11.1470 13.2190 C.3 1 LIG 0.0705 + 17 C 14.7490 9.7510 13.5750 C.3 1 LIG -0.0262 + 18 C 15.8500 9.2420 12.6360 C.3 1 LIG -0.0447 + 19 C 16.9540 10.2860 12.4480 C.3 1 LIG -0.0626 + 20 C 16.4000 7.8890 13.1070 C.3 1 LIG -0.0626 + 21 C 13.6150 11.2890 11.8120 C.2 1 LIG 0.0760 + 22 H 11.5510 11.4460 15.8220 H 1 LIG 0.1506 + 23 H 12.2750 10.9780 14.0710 H 1 LIG 0.1509 + 24 H 14.4200 13.1150 11.6230 H 1 LIG 0.1546 + 25 H 13.2200 12.9330 17.8090 H 1 LIG 0.0512 + 26 H 11.5160 12.5730 17.8990 H 1 LIG 0.0512 + 27 H 14.4510 10.3860 16.9040 H 1 LIG 0.0621 + 28 H 11.8930 8.8530 20.8490 H 1 LIG 0.0632 + 29 H 13.7010 7.4430 19.9380 H 1 LIG 0.0618 + 30 H 14.9810 8.2230 17.9690 H 1 LIG 0.0618 + 31 H 14.9960 11.8640 13.3250 H 1 LIG 0.0567 + 32 H 15.3910 9.0740 11.6680 H 1 LIG 0.0296 + 33 H 13.9500 9.0160 13.5990 H 1 LIG 0.0289 + 34 H 15.1310 9.7580 14.5930 H 1 LIG 0.0289 + 35 H 17.8550 9.8570 12.0150 H 1 LIG 0.0232 + 36 H 16.6210 11.0930 11.7990 H 1 LIG 0.0232 + 37 H 17.2130 10.7600 13.3850 H 1 LIG 0.0232 + 38 H 17.1130 7.4840 12.3870 H 1 LIG 0.0232 + 39 H 16.8990 7.9670 14.0720 H 1 LIG 0.0232 + 40 H 15.5990 7.1570 13.2090 H 1 LIG 0.0232 +@BOND + 1 13 12 1 + 2 12 24 1 + 3 12 21 am + 4 10 21 2 + 5 32 18 1 + 6 36 19 1 + 7 21 16 1 + 8 35 19 1 + 9 38 20 1 + 10 19 18 1 + 11 19 37 1 + 12 18 20 1 + 13 18 17 1 + 14 20 40 1 + 15 20 39 1 + 16 16 31 1 + 17 16 17 1 + 18 16 9 1 + 19 17 33 1 + 20 17 34 1 + 21 23 9 1 + 22 9 15 am + 23 15 3 2 + 24 15 1 am + 25 22 1 1 + 26 1 2 1 + 27 27 6 1 + 28 2 25 1 + 29 2 26 1 + 30 2 4 1 + 31 6 4 ar + 32 6 14 ar + 33 30 14 1 + 34 4 5 ar + 35 14 11 ar + 36 5 7 ar + 37 5 8 1 + 38 11 29 1 + 39 11 7 ar + 40 7 28 1 diff --git a/mscreen/10_test_mscreenCLI_prepare.bat b/mscreen/10_test_mscreenCLI_prepare.bat new file mode 100644 index 0000000..39283c8 --- /dev/null +++ b/mscreen/10_test_mscreenCLI_prepare.bat @@ -0,0 +1,17 @@ +echo "##############################################" +echo "TESTING PREPARING VINA" +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -d vina -v +echo PREPARING VINA OK +echo "##############################################" +echo TESTING PREPARING PLANTS +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d plants +echo "PREPARING VINA PLANTS" +echo "##############################################" +echo TESTING PREPARING AUTODOCK +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodock +echo "PREPARING AUTODOCK" +echo "##############################################" +echo TESTING PREPARING AUTODOCK ZN +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodockzn +echo "PREPARING AUTODOCK ZN" + diff --git a/mscreen/11_test_mscreenCLI_screening.bat b/mscreen/11_test_mscreenCLI_screening.bat new file mode 100644 index 0000000..ac1d311 --- /dev/null +++ b/mscreen/11_test_mscreenCLI_screening.bat @@ -0,0 +1,52 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +@REM module load Anaconda3/5.3.0 + + + +@REM echo "##############################################" +@REM echo "TESTING SCREENING+PREPARE VINA" +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening-prepare -d vina -v -p +@REM echo SCREENING+PREPARE VINA OK + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE PLANTS +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_plants_speed1.txt -o ../data/out-plants-screening-prepare -v -d plants -p +@REM echo"SCREENING+PREPARE PLANTS + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE AUTODOCK +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_autodock.txt -o ../data/out-autodock-screening-prepare -v -d autodock -p +@REM echo PREPARING SCREENING+PREPARE AUTODOCK + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE AUTODOCKZN +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_autodockzn.txt -o ../data/out-autodockzn-screening-prepare -v -d autodockzn -p +@REM echo PREPARING SCREENING+PREPARE AUTODOCKZN + + +echo "##############################################" +echo "----------------------------------------------" +echo "----------------------------------------------" +echo "##############################################" + +echo "##############################################" +echo "TESTING SCREENING VINA" +python mscreen.py screen -l ../data/prepare/prepared_ligands_vina -r ../data/prepare/prepared_receptors_vina -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening -d vina -v +echo SCREENING VINA OK + +echo "##############################################" +echo TESTING SCREENING PLANTS +python mscreen.py screen -l ../data/prepare/prepared_ligands_plants -r ../data/prepare/prepared_receptors_plants -c ../data/config_plants_speed4.txt -o ../data/out-plants-screening -v -d plants +echo"SCREENING PLANTS + +echo "##############################################" +echo TESTING SCREENING AUTODOCK +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -c ../data/config_vina_ex2.txt -o ../data/out-autodock-screening -v -d autodock +echo PREPARING SCREENING AUTODOCK + +echo "##############################################" +echo TESTING SCREENING AUTODOCKZN +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock_zn -c ../data/config_vina_ex2.txt -o ../data/out-autodockzn-screening -v -d autodockzn +echo PREPARING SCREENING AUTODOCKZN + diff --git a/mscreen/12_test_mscreenCLI_analysis.bat b/mscreen/12_test_mscreenCLI_analysis.bat new file mode 100644 index 0000000..43fb2d5 --- /dev/null +++ b/mscreen/12_test_mscreenCLI_analysis.bat @@ -0,0 +1,37 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +@REM module load Anaconda3/5.3.0 + +@REM echo '##############################################' +echo TESTING ANALYSIS VINA +python mscreen.py analysis -d vina -i ../data/out-vina-screening -t short +python mscreen.py analysis -d vina -i ../data/out-vina-screening -t full +echo ANALYSIS VINA OK + +echo "##############################################" +echo TESTING ANALYSIS AUTODOCK +python mscreen.py analysis -d autodock -i ../data/out-autodock-screening -t short +python mscreen.py analysis -d autodock -i ../data/out-autodock-screening -t full +echo ANALYSIS AUTODOCK OK + +echo "##############################################" +echo TESTING ANALYSIS AUTODOCKZN +python mscreen.py analysis -d autodockzn -i ../data/out-autodockzn-screening -t short +python mscreen.py analysis -d autodockzn -i ../data/out-autodockzn-screening -t full +echo ANALYSIS AUTODOCKZN OK + + +echo "##############################################" +echo TESTING ANALYSIS PLANTS +python mscreen.py analysis -d plants -i ../data/out-plants-screening -t short +python mscreen.py analysis -d plants -i ../data/out-plants-screening -t full +echo ANALYSIS PLANTS OK + +echo "##############################################" +echo TESTING ANALYSIS DOCK +python mscreen.py analysis -d dock -i ../data/out-dock-screening -t short +python mscreen.py analysis -d dock -i ../data/out-dock-screening -t full +echo ANALYSIS DOCK OK +echo "##############################################" + + diff --git a/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/Untitled-1.py b/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/Untitled-1.py new file mode 100644 index 0000000..e33ec22 --- /dev/null +++ b/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/Untitled-1.py @@ -0,0 +1,140 @@ +def prepare_gpf4(receptor_filename=None, + ligand_filename = None, + list_filename = None, + gpf_filename = None, + output_gpf_filename = None, + flexres_filename = None, + directory = None, + parameters = [], + verbose = None, + center_on_ligand = False, + size_box_to_include_ligand = True, + npts_increment = 0, + ligand_types_defined=False): + """ + + Parameters + ---------- + receptor_filename : str, optional + DESCRIPTION. The default is None. + ligand_filename : str, optional + ligand_filename (.pdbq format). The default is None. + list_filename : TYPE, optional + DESCRIPTION. The default is None. + gpf_filename : str, optional + reference_gpf_filename. The default is None. + output_gpf_filename : str, optional + output_gpf_filename. The default is None. + flexres_filename : TYPE, optional + flexres_filename. The default is None. + directory : TYPE, optional + directory of ligands to use to set types. The default is None. + parameters : str, optional + parameter=newvalue. For example: -p ligand_types='HD,Br,A,C,OA' or p npts='60,60,66' or gridcenter='2.5,6.5,-7.5']". The default is []. + verbose : TYPE, optional + DESCRIPTION. The default is None. + center_on_ligand : TYPE, optional + boolean to center grids on center of ligand. The default is False. + size_box_to_include_ligand : TYPE, optional + boolean to NOT size_box_to_include_ligand. The default is True. + npts_increment : int, optional + increment npts in all 3 dimensions by this integer. The default is 0. + ligand_types_defined : TYPE, optional + DESCRIPTION. The default is False. + verbose : TYPE, optional + print stuff. The default is False. + + Returns + ------- + None. + + """ + + if o in ('-v', '--v'): + verbose = 1 + if o in ('-l', '--l'): + ligand_filename = a + if verbose: print('ligand_filename=', ligand_filename) + if o in ('-r', '--r'): + receptor_filename = a + if verbose: print('receptor_filename=', receptor_filename) + if o in ('-i', '--i'): + gpf_filename = a + if verbose: print('reference_gpf_filename=', gpf_filename) + if o in ('-x', '--x'): + flexres_filename = a + if verbose: print('flexres_filename=', flexres_filename) + if o in ('-o', '--o'): + output_gpf_filename = a + if verbose: print('output_gpf_filename=', output_gpf_filename) + if o in ('-p', '--p'): + parameters.append(a) + if a.split('=')[0]=="ligand_types": ligand_types_defined = True + if verbose: print('parameters=', parameters) + if o in ('-d', '--d'): + directory = a + if verbose: print('directory=', directory) + if o in ('-y', '--y'): + center_on_ligand = True + if verbose: print('set center_on_ligand to ', center_on_ligand) + if o in ('-n', '--n'): + size_box_to_include_ligand = False + if verbose: print('set size_box_to_include_ligand to ', size_box_to_include_ligand) + if o in ('-I', '--I'): + npts_increment = int(a) + if verbose: print('set npts_increment to ', npts_increment) + if o in ('-h', '--'): + usage() + sys.exit() + + + if (not receptor_filename) or (ligand_filename is None and directory is None and ligand_types_defined is False): + print("prepare_gpf4.py: ligand and receptor filenames") + print(" must be specified.") + usage() + sys.exit() + + gpfm = GridParameter4FileMaker(size_box_to_include_ligand=size_box_to_include_ligand,verbose=verbose) + if gpf_filename is not None: + gpfm.read_reference(gpf_filename) + if ligand_filename is not None: + gpfm.set_ligand(ligand_filename) + gpfm.set_receptor(receptor_filename) + if directory is not None: + gpfm.set_types_from_directory(directory) + if flexres_filename is not None: + flexmol = Read(flexres_filename)[0] + flexres_types = flexmol.allAtoms.autodock_element + lig_types = gpfm.gpo['ligand_types']['value'].split() + all_types = lig_types + for t in flexres_types: + if t not in all_types: + all_types.append(t) + all_types_string = all_types[0] + if len(all_types)>1: + for t in all_types[1:]: + all_types_string = all_types_string + " " + t + gpfm.gpo['ligand_types']['value'] = all_types_string + for param_str in parameters: + if param_str.find("parameter_file")>-1: + parameters.append("custom_parameter_file=1") + break + for p in parameters: + key,newvalue = string.split(p, '=') + if key=='gridcenter' and newvalue.find(',')>-1: + newvalue = newvalue.split(',') + newvalue = string.join(newvalue) + kw = {key:newvalue} + gpfm.set_grid_parameters(*(), **kw) + #gpfm.set_grid_parameters(spacing=1.0) + if center_on_ligand is True: + gpfm.gpo['gridcenterAuto']['value'] = 0 + cenx,ceny,cenz = gpfm.ligand.getCenter() + gpfm.gpo['gridcenter']['value'] = "%.3f %.3f %.3f" %(cenx,ceny,cenz) + if npts_increment: + orig_npts = gpfm.gpo['npts']['value'] #[40,40,40] + if verbose: print("before increment npts=", orig_npts) + for ind in range(3): + gpfm.gpo['npts']['value'][ind] += npts_increment + if verbose: print("after increment npts =", gpfm.gpo['npts']['value']) + gpfm.write_gpf(output_gpf_filename) diff --git a/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/file.gpf b/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/file.gpf new file mode 100644 index 0000000..114e006 --- /dev/null +++ b/mscreen/autodocktools_prepare_py3k/AutoDockTools/Utilities24/file.gpf @@ -0,0 +1 @@ +npts 40 40 40 # num.grid points in xyz diff --git a/mscreen/autodocktools_prepare_py3k/AutoDockTools/lig_3ebh-prep.pdbqt b/mscreen/autodocktools_prepare_py3k/AutoDockTools/lig_3ebh-prep.pdbqt new file mode 100644 index 0000000..25ccdee --- /dev/null +++ b/mscreen/autodocktools_prepare_py3k/AutoDockTools/lig_3ebh-prep.pdbqt @@ -0,0 +1,63 @@ +REMARK 10 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK I between atoms: N_1 and C_15 +REMARK 1 A between atoms: N_1 and CA_3 +REMARK 2 A between atoms: CA_3 and C_5 +REMARK 3 A between atoms: CA_3 and CB_6 +REMARK 4 A between atoms: CB_6 and CG_7 +REMARK 5 A between atoms: C_11 and N_13 +REMARK 6 A between atoms: C_11 and C_12 +REMARK 7 A between atoms: C_11 and C_17 +REMARK 8 A between atoms: C_12 and O_14 +REMARK 9 A between atoms: C_12 and C_15 +REMARK 10 A between atoms: C_17 and C_18 +ROOT +ATOM 1 C UNK 2 13.418 12.275 11.151 0.00 0.00 0.240 C +ENDROOT +BRANCH 1 2 +ATOM 2 C UNK 2 12.632 12.082 12.470 0.00 0.00 0.225 C +BRANCH 2 3 +ATOM 3 N UNK 2 11.338 12.777 12.472 0.00 0.00 -0.072 N +ATOM 4 H UNK 2 10.539 12.050 12.472 0.00 0.00 0.274 HD +ATOM 5 H UNK 2 11.263 13.395 13.354 0.00 0.00 0.274 HD +ATOM 6 H UNK 2 11.261 13.396 11.591 0.00 0.00 0.274 HD +ENDBRANCH 2 3 +BRANCH 2 7 +ATOM 7 C UNK 2 13.495 12.479 13.674 0.00 0.00 0.074 C +BRANCH 7 8 +ATOM 8 C UNK 2 13.055 11.835 14.969 0.00 0.00 -0.056 A +ATOM 9 C UNK 2 13.527 10.547 15.299 0.00 0.00 0.007 A +ATOM 10 C UNK 2 13.179 9.965 16.532 0.00 0.00 0.001 A +ATOM 11 C UNK 2 12.342 10.661 17.425 0.00 0.00 0.000 A +ATOM 12 C UNK 2 11.848 11.932 17.082 0.00 0.00 0.001 A +ATOM 13 C UNK 2 12.209 12.523 15.858 0.00 0.00 0.007 A +ENDBRANCH 7 8 +ENDBRANCH 2 7 +ENDBRANCH 1 2 +BRANCH 1 14 +ATOM 14 O UNK 2 12.543 12.512 10.070 0.00 0.00 -0.384 OA +ATOM 15 H UNK 2 13.049 12.824 9.340 0.00 0.00 0.210 HD +ENDBRANCH 1 14 +BRANCH 1 16 +ATOM 16 C UNK 2 14.202 11.008 10.832 0.00 0.00 0.249 C +ATOM 17 N UNK 1 15.528 11.021 10.964 0.00 0.00 -0.344 N +ATOM 18 H UNK 1 15.988 11.867 11.271 0.00 0.00 0.163 HD +ATOM 19 O UNK 2 13.595 10.006 10.486 0.00 0.00 -0.271 OA +BRANCH 17 20 +ATOM 20 CA UNK 1 16.376 9.860 10.700 0.00 0.00 0.185 C +BRANCH 20 21 +ATOM 21 C UNK 1 17.453 9.735 11.776 0.00 0.00 0.196 C +ATOM 22 O UNK 1 18.144 8.693 11.802 0.00 0.00 -0.646 OA +ATOM 23 OXT UNK 1 17.545 10.685 12.580 0.00 0.00 -0.646 OA +ENDBRANCH 20 21 +BRANCH 20 24 +ATOM 24 CB UNK 1 16.877 9.929 9.238 0.00 0.00 0.040 C +BRANCH 24 25 +ATOM 25 CG UNK 1 17.326 8.599 8.600 0.00 0.00 -0.020 C +ATOM 26 CD2 UNK 1 16.224 7.523 8.630 0.00 0.00 0.009 C +ATOM 27 CD1 UNK 1 17.780 8.847 7.154 0.00 0.00 0.009 C +ENDBRANCH 24 25 +ENDBRANCH 20 24 +ENDBRANCH 17 20 +ENDBRANCH 1 16 +TORSDOF 10 diff --git a/mscreen/autodocktools_prepare_py3k/AutoDockTools/rec_3ebh-prep.pdbqt b/mscreen/autodocktools_prepare_py3k/AutoDockTools/rec_3ebh-prep.pdbqt new file mode 100644 index 0000000..b7563db --- /dev/null +++ b/mscreen/autodocktools_prepare_py3k/AutoDockTools/rec_3ebh-prep.pdbqt @@ -0,0 +1,8977 @@ +HETATM 1 ZN ZN A 1 11.767 10.934 9.030 1.00 10.48 0.000 Zn +ATOM 2 N PRO A 196 1.936 4.855 34.874 1.00 39.35 -0.062 N +ATOM 3 CA PRO A 196 2.317 4.991 33.452 1.00 37.85 0.277 C +ATOM 4 C PRO A 196 1.083 4.836 32.554 1.00 36.91 0.249 C +ATOM 5 O PRO A 196 0.468 3.770 32.528 1.00 37.58 -0.271 OA +ATOM 6 CB PRO A 196 3.399 3.929 33.205 1.00 38.22 0.044 C +ATOM 7 CG PRO A 196 3.065 2.820 34.195 1.00 39.49 0.030 C +ATOM 8 CD PRO A 196 2.433 3.556 35.379 1.00 39.89 0.233 C +ATOM 9 H1 PRO A 196 0.930 4.898 34.952 1.00 39.35 0.278 HD +ATOM 10 H2 PRO A 196 2.359 5.601 35.407 1.00 39.35 0.278 HD +ATOM 11 N LYS A 197 0.718 5.907 31.830 1.00 34.90 -0.346 N +ATOM 12 CA LYS A 197 -0.447 5.957 30.948 1.00 33.65 0.176 C +ATOM 13 C LYS A 197 -0.128 5.230 29.635 1.00 31.71 0.241 C +ATOM 14 O LYS A 197 0.820 5.593 28.939 1.00 31.00 -0.271 OA +ATOM 15 CB LYS A 197 -0.775 7.445 30.662 1.00 33.77 0.035 C +ATOM 16 CG LYS A 197 -1.905 7.711 29.642 1.00 35.36 0.004 C +ATOM 17 CD LYS A 197 -3.286 7.183 30.069 1.00 39.89 0.027 C +ATOM 18 CE LYS A 197 -4.357 7.357 28.981 1.00 41.92 0.229 C +ATOM 19 NZ LYS A 197 -4.682 8.774 28.747 1.00 43.57 -0.079 N +ATOM 20 H LYS A 197 1.278 6.746 31.889 1.00 34.90 0.163 HD +ATOM 21 HZ1 LYS A 197 -3.853 9.263 28.441 1.00 43.57 0.274 HD +ATOM 22 HZ2 LYS A 197 -5.393 8.843 28.033 1.00 43.57 0.274 HD +ATOM 23 HZ3 LYS A 197 -5.022 9.191 29.602 1.00 43.57 0.274 HD +ATOM 24 N ILE A 198 -0.954 4.231 29.290 1.00 30.07 -0.346 N +ATOM 25 CA ILE A 198 -0.904 3.536 28.009 1.00 27.71 0.180 C +ATOM 26 C ILE A 198 -1.942 4.227 27.110 1.00 25.71 0.241 C +ATOM 27 O ILE A 198 -3.132 4.273 27.427 1.00 25.83 -0.271 OA +ATOM 28 CB ILE A 198 -1.258 2.030 28.177 1.00 28.50 0.013 C +ATOM 29 CG1 ILE A 198 -0.380 1.328 29.243 1.00 29.83 0.002 C +ATOM 30 CG2 ILE A 198 -1.125 1.295 26.823 1.00 27.73 0.012 C +ATOM 31 CD1 ILE A 198 -0.927 -0.030 29.704 1.00 32.29 0.005 C +ATOM 32 H ILE A 198 -1.708 3.988 29.916 1.00 30.07 0.163 HD +ATOM 33 N HIS A 199 -1.461 4.759 25.983 1.00 22.36 -0.346 N +ATOM 34 CA HIS A 199 -2.255 5.357 24.919 1.00 21.25 0.182 C +ATOM 35 C HIS A 199 -2.551 4.249 23.906 1.00 20.85 0.241 C +ATOM 36 O HIS A 199 -1.636 3.518 23.531 1.00 19.43 -0.271 OA +ATOM 37 CB HIS A 199 -1.401 6.445 24.238 1.00 20.93 0.095 C +ATOM 38 CG HIS A 199 -0.967 7.526 25.196 1.00 22.52 0.053 A +ATOM 39 CD2 HIS A 199 0.204 7.613 25.919 1.00 25.38 0.116 A +ATOM 40 ND1 HIS A 199 -1.789 8.609 25.529 1.00 26.54 -0.247 NA +ATOM 41 CE1 HIS A 199 -1.090 9.299 26.421 1.00 26.78 0.207 A +ATOM 42 NE2 HIS A 199 0.096 8.753 26.693 1.00 28.01 -0.359 N +ATOM 43 H HIS A 199 -0.470 4.658 25.801 1.00 22.36 0.163 HD +ATOM 44 HE2 HIS A 199 0.775 9.101 27.358 1.00 0.00 0.166 HD +ATOM 45 N TYR A 200 -3.817 4.121 23.483 1.00 20.74 -0.346 N +ATOM 46 CA TYR A 200 -4.283 3.112 22.532 1.00 21.22 0.180 C +ATOM 47 C TYR A 200 -4.779 3.791 21.252 1.00 19.81 0.241 C +ATOM 48 O TYR A 200 -5.405 4.849 21.308 1.00 18.52 -0.271 OA +ATOM 49 CB TYR A 200 -5.429 2.299 23.157 1.00 23.15 0.073 C +ATOM 50 CG TYR A 200 -5.022 1.455 24.349 1.00 25.11 -0.056 A +ATOM 51 CD1 TYR A 200 -4.436 0.189 24.147 1.00 25.27 0.010 A +ATOM 52 CD2 TYR A 200 -5.222 1.932 25.661 1.00 26.01 0.010 A +ATOM 53 CE1 TYR A 200 -4.049 -0.594 25.251 1.00 28.79 0.037 A +ATOM 54 CE2 TYR A 200 -4.836 1.149 26.765 1.00 28.15 0.037 A +ATOM 55 CZ TYR A 200 -4.250 -0.115 26.561 1.00 27.65 0.065 A +ATOM 56 OH TYR A 200 -3.869 -0.873 27.629 1.00 29.86 -0.361 OA +ATOM 57 H TYR A 200 -4.511 4.760 23.845 1.00 20.74 0.163 HD +ATOM 58 HH TYR A 200 -4.064 -0.469 28.460 1.00 29.86 0.217 HD +ATOM 59 N ARG A 201 -4.510 3.162 20.098 1.00 18.54 -0.346 N +ATOM 60 CA ARG A 201 -4.863 3.634 18.758 1.00 18.78 0.176 C +ATOM 61 C ARG A 201 -6.382 3.744 18.530 1.00 20.15 0.241 C +ATOM 62 O ARG A 201 -6.829 4.680 17.867 1.00 20.73 -0.271 OA +ATOM 63 CB ARG A 201 -4.213 2.686 17.730 1.00 18.06 0.036 C +ATOM 64 CG ARG A 201 -4.407 3.115 16.266 1.00 18.51 0.023 C +ATOM 65 CD ARG A 201 -3.726 2.172 15.271 1.00 16.34 0.138 C +ATOM 66 NE ARG A 201 -4.461 0.907 15.151 1.00 21.24 -0.227 N +ATOM 67 CZ ARG A 201 -5.437 0.629 14.271 1.00 22.40 0.665 C +ATOM 68 NH1 ARG A 201 -5.866 1.534 13.383 1.00 21.55 -0.235 N +ATOM 69 NH2 ARG A 201 -5.997 -0.584 14.290 1.00 25.36 -0.235 N +ATOM 70 H ARG A 201 -3.981 2.302 20.149 1.00 18.54 0.163 HD +ATOM 71 HE ARG A 201 -4.247 0.200 15.846 1.00 21.24 0.177 HD +ATOM 72 HH11 ARG A 201 -5.455 2.458 13.360 1.00 21.55 0.174 HD +ATOM 73 HH12 ARG A 201 -6.629 1.319 12.748 1.00 21.55 0.174 HD +ATOM 74 HH21 ARG A 201 -5.636 -1.285 14.932 1.00 25.36 0.174 HD +ATOM 75 HH22 ARG A 201 -6.729 -0.832 13.641 1.00 25.36 0.174 HD +ATOM 76 N LYS A 202 -7.165 2.813 19.103 1.00 21.60 -0.346 N +ATOM 77 CA LYS A 202 -8.628 2.773 19.024 1.00 23.76 0.176 C +ATOM 78 C LYS A 202 -9.321 3.906 19.811 1.00 23.01 0.241 C +ATOM 79 O LYS A 202 -10.485 4.199 19.538 1.00 22.98 -0.271 OA +ATOM 80 CB LYS A 202 -9.115 1.392 19.527 1.00 25.19 0.035 C +ATOM 81 CG LYS A 202 -8.920 1.117 21.035 1.00 27.23 0.004 C +ATOM 82 CD LYS A 202 -9.427 -0.260 21.488 1.00 28.66 0.027 C +ATOM 83 CE LYS A 202 -8.503 -1.417 21.088 1.00 35.69 0.229 C +ATOM 84 NZ LYS A 202 -9.045 -2.709 21.539 1.00 40.22 -0.079 N +ATOM 85 H LYS A 202 -6.715 2.072 19.624 1.00 21.60 0.163 HD +ATOM 86 HZ1 LYS A 202 -8.420 -3.452 21.262 1.00 40.22 0.274 HD +ATOM 87 HZ2 LYS A 202 -9.136 -2.703 22.545 1.00 40.22 0.274 HD +ATOM 88 HZ3 LYS A 202 -9.952 -2.859 21.121 1.00 40.22 0.274 HD +ATOM 89 N ASP A 203 -8.616 4.537 20.768 1.00 21.59 -0.346 N +ATOM 90 CA ASP A 203 -9.126 5.596 21.644 1.00 21.92 0.186 C +ATOM 91 C ASP A 203 -8.889 7.010 21.084 1.00 21.64 0.241 C +ATOM 92 O ASP A 203 -9.104 7.975 21.823 1.00 22.45 -0.271 OA +ATOM 93 CB ASP A 203 -8.443 5.506 23.036 1.00 22.12 0.147 C +ATOM 94 CG ASP A 203 -8.781 4.259 23.856 1.00 24.11 0.175 C +ATOM 95 OD1 ASP A 203 -9.779 3.583 23.529 1.00 25.13 -0.648 OA +ATOM 96 OD2 ASP A 203 -8.047 4.035 24.843 1.00 25.16 -0.648 OA +ATOM 97 H ASP A 203 -7.661 4.244 20.918 1.00 21.59 0.163 HD +ATOM 98 N TYR A 204 -8.496 7.169 19.802 1.00 20.79 -0.346 N +ATOM 99 CA TYR A 204 -8.382 8.482 19.162 1.00 19.85 0.180 C +ATOM 100 C TYR A 204 -9.751 9.187 19.125 1.00 20.46 0.241 C +ATOM 101 O TYR A 204 -10.717 8.671 18.563 1.00 20.29 -0.271 OA +ATOM 102 CB TYR A 204 -7.787 8.393 17.736 1.00 19.12 0.073 C +ATOM 103 CG TYR A 204 -7.724 9.756 17.051 1.00 19.15 -0.056 A +ATOM 104 CD1 TYR A 204 -6.694 10.665 17.371 1.00 18.25 0.010 A +ATOM 105 CD2 TYR A 204 -8.767 10.163 16.189 1.00 19.90 0.010 A +ATOM 106 CE1 TYR A 204 -6.729 11.979 16.867 1.00 16.85 0.037 A +ATOM 107 CE2 TYR A 204 -8.808 11.480 15.698 1.00 19.31 0.037 A +ATOM 108 CZ TYR A 204 -7.796 12.393 16.047 1.00 18.70 0.065 A +ATOM 109 OH TYR A 204 -7.857 13.675 15.590 1.00 17.99 -0.361 OA +ATOM 110 H TYR A 204 -8.339 6.349 19.234 1.00 20.79 0.163 HD +ATOM 111 HH TYR A 204 -7.197 14.237 15.984 1.00 17.99 0.217 HD +ATOM 112 N LYS A 205 -9.782 10.388 19.709 1.00 20.85 -0.346 N +ATOM 113 CA LYS A 205 -10.866 11.355 19.640 1.00 20.96 0.176 C +ATOM 114 C LYS A 205 -10.231 12.714 19.325 1.00 19.52 0.243 C +ATOM 115 O LYS A 205 -9.237 13.048 19.972 1.00 17.60 -0.271 OA +ATOM 116 CB LYS A 205 -11.606 11.436 20.990 1.00 22.16 0.035 C +ATOM 117 CG LYS A 205 -12.342 10.154 21.408 1.00 24.87 0.004 C +ATOM 118 CD LYS A 205 -13.232 10.354 22.648 1.00 25.76 0.027 C +ATOM 119 CE LYS A 205 -12.451 10.730 23.920 1.00 30.52 0.229 C +ATOM 120 NZ LYS A 205 -13.343 10.861 25.083 1.00 35.26 -0.079 N +ATOM 121 H LYS A 205 -8.932 10.711 20.151 1.00 20.85 0.163 HD +ATOM 122 HZ1 LYS A 205 -13.973 11.641 24.946 1.00 35.26 0.274 HD +ATOM 123 HZ2 LYS A 205 -13.874 10.010 25.202 1.00 35.26 0.274 HD +ATOM 124 HZ3 LYS A 205 -12.792 11.032 25.911 1.00 35.26 0.274 HD +ATOM 125 N PRO A 206 -10.799 13.541 18.421 1.00 20.09 -0.337 N +ATOM 126 CA PRO A 206 -10.456 14.967 18.298 1.00 19.78 0.179 C +ATOM 127 C PRO A 206 -10.589 15.721 19.639 1.00 18.58 0.241 C +ATOM 128 O PRO A 206 -11.463 15.404 20.449 1.00 19.39 -0.271 OA +ATOM 129 CB PRO A 206 -11.454 15.532 17.278 1.00 20.24 0.037 C +ATOM 130 CG PRO A 206 -11.940 14.334 16.482 1.00 21.24 0.022 C +ATOM 131 CD PRO A 206 -11.783 13.139 17.418 1.00 20.92 0.127 C +ATOM 132 N SER A 207 -9.723 16.720 19.860 1.00 16.97 -0.344 N +ATOM 133 CA SER A 207 -9.693 17.586 21.040 1.00 16.31 0.200 C +ATOM 134 C SER A 207 -10.978 18.425 21.136 1.00 16.50 0.242 C +ATOM 135 O SER A 207 -11.510 18.849 20.111 1.00 16.34 -0.271 OA +ATOM 136 CB SER A 207 -8.461 18.510 20.911 1.00 16.16 0.199 C +ATOM 137 OG SER A 207 -8.331 19.416 21.990 1.00 15.80 -0.398 OA +ATOM 138 H SER A 207 -9.052 16.928 19.130 1.00 16.97 0.163 HD +ATOM 139 HG SER A 207 -8.062 18.931 22.760 1.00 15.80 0.209 HD +ATOM 140 N GLY A 208 -11.433 18.710 22.367 1.00 16.97 -0.350 N +ATOM 141 CA GLY A 208 -12.521 19.645 22.664 1.00 18.23 0.225 C +ATOM 142 C GLY A 208 -12.135 21.124 22.509 1.00 17.89 0.236 C +ATOM 143 O GLY A 208 -12.954 22.001 22.773 1.00 18.66 -0.272 OA +ATOM 144 H GLY A 208 -10.944 18.319 23.162 1.00 16.97 0.163 HD +ATOM 145 N PHE A 209 -10.894 21.403 22.089 1.00 16.57 -0.346 N +ATOM 146 CA PHE A 209 -10.315 22.726 21.932 1.00 16.06 0.180 C +ATOM 147 C PHE A 209 -9.669 22.848 20.552 1.00 15.85 0.241 C +ATOM 148 O PHE A 209 -9.272 21.855 19.940 1.00 15.59 -0.271 OA +ATOM 149 CB PHE A 209 -9.305 22.979 23.069 1.00 16.60 0.073 C +ATOM 150 CG PHE A 209 -9.908 22.862 24.456 1.00 16.84 -0.056 A +ATOM 151 CD1 PHE A 209 -10.723 23.896 24.956 1.00 18.86 0.007 A +ATOM 152 CD2 PHE A 209 -9.712 21.692 25.220 1.00 18.38 0.007 A +ATOM 153 CE1 PHE A 209 -11.354 23.754 26.206 1.00 19.44 0.001 A +ATOM 154 CE2 PHE A 209 -10.343 21.551 26.471 1.00 17.04 0.001 A +ATOM 155 CZ PHE A 209 -11.164 22.583 26.965 1.00 18.15 0.000 A +ATOM 156 H PHE A 209 -10.283 20.624 21.884 1.00 16.57 0.163 HD +ATOM 157 N ILE A 210 -9.554 24.096 20.089 1.00 16.03 -0.346 N +ATOM 158 CA ILE A 210 -8.804 24.527 18.917 1.00 15.88 0.180 C +ATOM 159 C ILE A 210 -7.726 25.499 19.429 1.00 14.70 0.241 C +ATOM 160 O ILE A 210 -7.999 26.296 20.325 1.00 15.55 -0.271 OA +ATOM 161 CB ILE A 210 -9.757 25.246 17.917 1.00 16.14 0.013 C +ATOM 162 CG1 ILE A 210 -11.042 24.461 17.557 1.00 19.65 0.002 C +ATOM 163 CG2 ILE A 210 -9.034 25.704 16.634 1.00 18.92 0.012 C +ATOM 164 CD1 ILE A 210 -10.808 23.124 16.843 1.00 26.51 0.005 C +ATOM 165 H ILE A 210 -9.943 24.838 20.658 1.00 16.03 0.163 HD +ATOM 166 N ILE A 211 -6.528 25.461 18.829 1.00 13.37 -0.346 N +ATOM 167 CA ILE A 211 -5.490 26.487 18.945 1.00 13.26 0.180 C +ATOM 168 C ILE A 211 -5.275 27.007 17.516 1.00 13.85 0.241 C +ATOM 169 O ILE A 211 -4.824 26.258 16.652 1.00 15.78 -0.271 OA +ATOM 170 CB ILE A 211 -4.185 25.910 19.574 1.00 12.79 0.013 C +ATOM 171 CG1 ILE A 211 -4.416 25.288 20.976 1.00 11.72 0.002 C +ATOM 172 CG2 ILE A 211 -3.095 27.002 19.650 1.00 13.23 0.012 C +ATOM 173 CD1 ILE A 211 -3.293 24.361 21.460 1.00 12.36 0.005 C +ATOM 174 H ILE A 211 -6.379 24.757 18.117 1.00 13.37 0.163 HD +ATOM 175 N ASN A 212 -5.627 28.275 17.260 1.00 14.74 -0.346 N +ATOM 176 CA ASN A 212 -5.569 28.893 15.933 1.00 14.99 0.185 C +ATOM 177 C ASN A 212 -4.267 29.666 15.699 1.00 14.73 0.241 C +ATOM 178 O ASN A 212 -3.755 29.644 14.582 1.00 15.51 -0.271 OA +ATOM 179 CB ASN A 212 -6.743 29.887 15.775 1.00 16.25 0.137 C +ATOM 180 CG ASN A 212 -8.092 29.177 15.635 1.00 17.83 0.217 C +ATOM 181 ND2 ASN A 212 -9.085 29.565 16.436 1.00 16.16 -0.370 N +ATOM 182 OD1 ASN A 212 -8.229 28.267 14.822 1.00 20.71 -0.274 OA +ATOM 183 H ASN A 212 -5.968 28.847 18.022 1.00 14.74 0.163 HD +ATOM 184 1HD2 ASN A 212 -8.949 30.339 17.072 1.00 16.16 0.159 HD +ATOM 185 2HD2 ASN A 212 -9.991 29.119 16.358 1.00 16.16 0.159 HD +ATOM 186 N GLN A 213 -3.731 30.335 16.729 1.00 14.61 -0.346 N +ATOM 187 CA GLN A 213 -2.527 31.156 16.652 1.00 14.59 0.177 C +ATOM 188 C GLN A 213 -1.701 30.974 17.923 1.00 13.54 0.241 C +ATOM 189 O GLN A 213 -2.247 30.987 19.023 1.00 13.09 -0.271 OA +ATOM 190 CB GLN A 213 -2.897 32.622 16.321 1.00 15.55 0.044 C +ATOM 191 CG GLN A 213 -1.728 33.632 16.275 1.00 19.85 0.105 C +ATOM 192 CD GLN A 213 -0.931 33.576 14.975 1.00 23.98 0.215 C +ATOM 193 NE2 GLN A 213 -1.571 33.922 13.857 1.00 22.87 -0.370 N +ATOM 194 OE1 GLN A 213 0.249 33.233 14.975 1.00 22.53 -0.274 OA +ATOM 195 H GLN A 213 -4.197 30.292 17.625 1.00 14.61 0.163 HD +ATOM 196 1HE2 GLN A 213 -2.535 34.219 13.900 1.00 22.87 0.159 HD +ATOM 197 2HE2 GLN A 213 -1.066 33.930 12.983 1.00 22.87 0.159 HD +ATOM 198 N VAL A 214 -0.384 30.828 17.749 1.00 13.15 -0.346 N +ATOM 199 CA VAL A 214 0.631 30.779 18.790 1.00 13.87 0.180 C +ATOM 200 C VAL A 214 1.510 32.015 18.571 1.00 14.40 0.241 C +ATOM 201 O VAL A 214 2.053 32.190 17.481 1.00 15.18 -0.271 OA +ATOM 202 CB VAL A 214 1.470 29.478 18.641 1.00 14.41 0.009 C +ATOM 203 CG1 VAL A 214 2.421 29.272 19.833 1.00 14.11 0.012 C +ATOM 204 CG2 VAL A 214 0.589 28.235 18.439 1.00 14.74 0.012 C +ATOM 205 H VAL A 214 -0.038 30.803 16.797 1.00 13.15 0.163 HD +ATOM 206 N THR A 215 1.669 32.854 19.603 1.00 14.21 -0.344 N +ATOM 207 CA THR A 215 2.542 34.023 19.580 1.00 14.83 0.205 C +ATOM 208 C THR A 215 3.565 33.855 20.707 1.00 14.57 0.243 C +ATOM 209 O THR A 215 3.230 34.095 21.864 1.00 15.37 -0.271 OA +ATOM 210 CB THR A 215 1.717 35.327 19.679 1.00 14.83 0.146 C +ATOM 211 CG2 THR A 215 2.583 36.598 19.681 1.00 17.17 0.042 C +ATOM 212 OG1 THR A 215 0.873 35.427 18.551 1.00 15.67 -0.393 OA +ATOM 213 H THR A 215 1.158 32.672 20.458 1.00 14.21 0.163 HD +ATOM 214 HG1 THR A 215 0.175 34.792 18.652 1.00 15.67 0.210 HD +ATOM 215 N LEU A 216 4.796 33.434 20.370 1.00 13.51 -0.346 N +ATOM 216 CA LEU A 216 5.889 33.193 21.316 1.00 13.77 0.177 C +ATOM 217 C LEU A 216 6.853 34.387 21.366 1.00 14.49 0.241 C +ATOM 218 O LEU A 216 7.123 35.023 20.348 1.00 15.03 -0.271 OA +ATOM 219 CB LEU A 216 6.725 31.969 20.861 1.00 14.21 0.038 C +ATOM 220 CG LEU A 216 5.968 30.628 20.782 1.00 15.09 -0.020 C +ATOM 221 CD1 LEU A 216 6.897 29.489 20.341 1.00 16.30 0.009 C +ATOM 222 CD2 LEU A 216 5.286 30.258 22.103 1.00 21.69 0.009 C +ATOM 223 H LEU A 216 4.998 33.300 19.388 1.00 13.51 0.163 HD +ATOM 224 N ASN A 217 7.419 34.628 22.558 1.00 14.07 -0.346 N +ATOM 225 CA ASN A 217 8.560 35.503 22.825 1.00 14.86 0.185 C +ATOM 226 C ASN A 217 9.543 34.719 23.704 1.00 15.08 0.241 C +ATOM 227 O ASN A 217 9.322 34.596 24.907 1.00 16.42 -0.271 OA +ATOM 228 CB ASN A 217 8.144 36.851 23.456 1.00 16.27 0.137 C +ATOM 229 CG ASN A 217 7.344 37.773 22.532 1.00 19.44 0.217 C +ATOM 230 ND2 ASN A 217 7.968 38.851 22.057 1.00 21.64 -0.370 N +ATOM 231 OD1 ASN A 217 6.171 37.530 22.261 1.00 22.88 -0.274 OA +ATOM 232 H ASN A 217 7.104 34.064 23.338 1.00 14.07 0.163 HD +ATOM 233 1HD2 ASN A 217 8.932 39.033 22.315 1.00 21.64 0.159 HD +ATOM 234 2HD2 ASN A 217 7.480 39.481 21.437 1.00 21.64 0.159 HD +ATOM 235 N ILE A 218 10.604 34.172 23.092 1.00 14.96 -0.346 N +ATOM 236 CA ILE A 218 11.622 33.328 23.723 1.00 15.03 0.180 C +ATOM 237 C ILE A 218 12.842 34.222 23.988 1.00 15.55 0.241 C +ATOM 238 O ILE A 218 13.565 34.588 23.064 1.00 16.43 -0.271 OA +ATOM 239 CB ILE A 218 11.978 32.159 22.755 1.00 15.34 0.013 C +ATOM 240 CG1 ILE A 218 10.730 31.290 22.456 1.00 16.05 0.002 C +ATOM 241 CG2 ILE A 218 13.128 31.275 23.293 1.00 15.92 0.012 C +ATOM 242 CD1 ILE A 218 10.913 30.302 21.300 1.00 17.11 0.005 C +ATOM 243 H ILE A 218 10.706 34.333 22.097 1.00 14.96 0.163 HD +ATOM 244 N ASN A 219 13.054 34.583 25.259 1.00 14.54 -0.346 N +ATOM 245 CA ASN A 219 14.078 35.525 25.701 1.00 15.60 0.185 C +ATOM 246 C ASN A 219 15.162 34.731 26.433 1.00 15.07 0.241 C +ATOM 247 O ASN A 219 15.017 34.399 27.609 1.00 15.08 -0.271 OA +ATOM 248 CB ASN A 219 13.449 36.585 26.639 1.00 16.68 0.137 C +ATOM 249 CG ASN A 219 12.206 37.256 26.050 1.00 19.98 0.217 C +ATOM 250 ND2 ASN A 219 11.039 36.993 26.638 1.00 19.12 -0.370 N +ATOM 251 OD1 ASN A 219 12.288 37.967 25.052 1.00 28.04 -0.274 OA +ATOM 252 H ASN A 219 12.426 34.227 25.970 1.00 14.54 0.163 HD +ATOM 253 1HD2 ASN A 219 11.002 36.364 27.427 1.00 19.12 0.159 HD +ATOM 254 2HD2 ASN A 219 10.187 37.375 26.254 1.00 19.12 0.159 HD +ATOM 255 N ILE A 220 16.245 34.419 25.710 1.00 14.18 -0.346 N +ATOM 256 CA ILE A 220 17.383 33.627 26.168 1.00 14.78 0.180 C +ATOM 257 C ILE A 220 18.319 34.557 26.954 1.00 16.26 0.241 C +ATOM 258 O ILE A 220 18.757 35.576 26.426 1.00 16.80 -0.271 OA +ATOM 259 CB ILE A 220 18.128 33.044 24.924 1.00 13.88 0.013 C +ATOM 260 CG1 ILE A 220 17.200 32.160 24.051 1.00 14.33 0.002 C +ATOM 261 CG2 ILE A 220 19.399 32.253 25.316 1.00 13.24 0.012 C +ATOM 262 CD1 ILE A 220 17.737 31.880 22.638 1.00 16.34 0.005 C +ATOM 263 H ILE A 220 16.281 34.743 24.751 1.00 14.18 0.163 HD +ATOM 264 N HIS A 221 18.646 34.178 28.196 1.00 17.35 -0.346 N +ATOM 265 CA HIS A 221 19.619 34.828 29.078 1.00 19.19 0.182 C +ATOM 266 C HIS A 221 20.682 33.803 29.508 1.00 20.45 0.241 C +ATOM 267 O HIS A 221 20.628 32.640 29.102 1.00 19.33 -0.271 OA +ATOM 268 CB HIS A 221 18.906 35.502 30.273 1.00 19.81 0.093 C +ATOM 269 CG HIS A 221 17.919 36.582 29.905 1.00 22.21 0.030 A +ATOM 270 CD2 HIS A 221 18.061 37.948 29.783 1.00 24.05 0.143 A +ATOM 271 ND1 HIS A 221 16.600 36.316 29.582 1.00 26.60 -0.353 N +ATOM 272 CE1 HIS A 221 16.019 37.485 29.308 1.00 25.64 0.207 A +ATOM 273 NE2 HIS A 221 16.845 38.520 29.400 1.00 23.32 -0.254 NA +ATOM 274 H HIS A 221 18.233 33.327 28.555 1.00 17.35 0.163 HD +ATOM 275 HD1 HIS A 221 16.155 35.409 29.554 1.00 26.60 0.166 HD +ATOM 276 N ASP A 222 21.679 34.242 30.297 1.00 22.77 -0.345 N +ATOM 277 CA ASP A 222 22.843 33.451 30.724 1.00 25.68 0.186 C +ATOM 278 C ASP A 222 22.494 32.174 31.505 1.00 25.65 0.241 C +ATOM 279 O ASP A 222 23.010 31.107 31.173 1.00 25.80 -0.271 OA +ATOM 280 CB ASP A 222 23.827 34.315 31.551 1.00 27.50 0.147 C +ATOM 281 CG ASP A 222 24.399 35.522 30.802 1.00 33.11 0.175 C +ATOM 282 OD1 ASP A 222 24.735 35.360 29.609 1.00 36.76 -0.648 OA +ATOM 283 OD2 ASP A 222 24.491 36.595 31.438 1.00 37.24 -0.648 OA +ATOM 284 H ASP A 222 21.662 35.212 30.582 1.00 22.77 0.163 HD +ATOM 285 N GLN A 223 21.624 32.283 32.522 1.00 26.35 -0.346 N +ATOM 286 CA GLN A 223 21.278 31.196 33.440 1.00 27.10 0.177 C +ATOM 287 C GLN A 223 19.847 30.670 33.254 1.00 25.39 0.241 C +ATOM 288 O GLN A 223 19.492 29.701 33.920 1.00 25.53 -0.271 OA +ATOM 289 CB GLN A 223 21.457 31.694 34.891 1.00 28.31 0.044 C +ATOM 290 CG GLN A 223 22.936 31.823 35.295 1.00 31.03 0.105 C +ATOM 291 CD GLN A 223 23.098 32.167 36.777 1.00 31.60 0.215 C +ATOM 292 NE2 GLN A 223 23.945 31.419 37.487 1.00 37.63 -0.370 N +ATOM 293 OE1 GLN A 223 22.468 33.095 37.279 1.00 36.57 -0.274 OA +ATOM 294 H GLN A 223 21.230 33.195 32.719 1.00 26.35 0.163 HD +ATOM 295 1HE2 GLN A 223 24.445 30.661 37.048 1.00 37.63 0.159 HD +ATOM 296 2HE2 GLN A 223 24.081 31.620 38.467 1.00 37.63 0.159 HD +ATOM 297 N GLU A 224 19.026 31.275 32.381 1.00 23.96 -0.346 N +ATOM 298 CA GLU A 224 17.627 30.903 32.161 1.00 22.51 0.177 C +ATOM 299 C GLU A 224 17.130 31.432 30.809 1.00 20.48 0.241 C +ATOM 300 O GLU A 224 17.668 32.406 30.289 1.00 19.95 -0.271 OA +ATOM 301 CB GLU A 224 16.779 31.356 33.376 1.00 23.28 0.045 C +ATOM 302 CG GLU A 224 16.328 32.837 33.352 1.00 24.93 0.116 C +ATOM 303 CD GLU A 224 15.699 33.327 34.659 1.00 26.25 0.172 C +ATOM 304 OE1 GLU A 224 15.536 32.509 35.592 1.00 30.87 -0.648 OA +ATOM 305 OE2 GLU A 224 15.377 34.533 34.706 1.00 30.88 -0.648 OA +ATOM 306 H GLU A 224 19.376 32.062 31.855 1.00 23.96 0.163 HD +ATOM 307 N THR A 225 16.069 30.816 30.270 1.00 17.85 -0.344 N +ATOM 308 CA THR A 225 15.309 31.307 29.122 1.00 15.78 0.205 C +ATOM 309 C THR A 225 13.859 31.495 29.579 1.00 15.78 0.243 C +ATOM 310 O THR A 225 13.239 30.553 30.070 1.00 16.16 -0.271 OA +ATOM 311 CB THR A 225 15.423 30.323 27.933 1.00 15.39 0.146 C +ATOM 312 CG2 THR A 225 14.512 30.685 26.744 1.00 14.67 0.042 C +ATOM 313 OG1 THR A 225 16.743 30.356 27.433 1.00 15.25 -0.393 OA +ATOM 314 H THR A 225 15.691 30.008 30.749 1.00 17.85 0.163 HD +ATOM 315 HG1 THR A 225 17.344 30.117 28.125 1.00 15.25 0.210 HD +ATOM 316 N ILE A 226 13.324 32.709 29.393 1.00 14.60 -0.346 N +ATOM 317 CA ILE A 226 11.947 33.077 29.701 1.00 15.72 0.180 C +ATOM 318 C ILE A 226 11.167 32.981 28.382 1.00 14.70 0.241 C +ATOM 319 O ILE A 226 11.453 33.718 27.439 1.00 15.51 -0.271 OA +ATOM 320 CB ILE A 226 11.913 34.537 30.243 1.00 16.23 0.013 C +ATOM 321 CG1 ILE A 226 12.775 34.693 31.520 1.00 19.26 0.002 C +ATOM 322 CG2 ILE A 226 10.469 35.016 30.514 1.00 18.45 0.012 C +ATOM 323 CD1 ILE A 226 13.094 36.151 31.882 1.00 26.37 0.005 C +ATOM 324 H ILE A 226 13.898 33.419 28.956 1.00 14.60 0.163 HD +ATOM 325 N VAL A 227 10.177 32.082 28.330 1.00 13.44 -0.346 N +ATOM 326 CA VAL A 227 9.266 31.919 27.205 1.00 13.23 0.180 C +ATOM 327 C VAL A 227 7.914 32.487 27.644 1.00 14.23 0.241 C +ATOM 328 O VAL A 227 7.251 31.907 28.503 1.00 13.89 -0.271 OA +ATOM 329 CB VAL A 227 9.144 30.417 26.828 1.00 13.55 0.009 C +ATOM 330 CG1 VAL A 227 8.181 30.197 25.644 1.00 12.73 0.012 C +ATOM 331 CG2 VAL A 227 10.516 29.803 26.498 1.00 12.77 0.012 C +ATOM 332 H VAL A 227 9.988 31.528 29.156 1.00 13.44 0.163 HD +ATOM 333 N ARG A 228 7.496 33.596 27.018 1.00 15.01 -0.346 N +ATOM 334 CA ARG A 228 6.111 34.054 27.030 1.00 17.15 0.176 C +ATOM 335 C ARG A 228 5.414 33.453 25.806 1.00 15.59 0.241 C +ATOM 336 O ARG A 228 6.024 33.298 24.748 1.00 15.83 -0.271 OA +ATOM 337 CB ARG A 228 6.034 35.583 26.900 1.00 18.19 0.036 C +ATOM 338 CG ARG A 228 6.615 36.334 28.104 1.00 21.09 0.023 C +ATOM 339 CD ARG A 228 6.362 37.846 28.037 1.00 23.01 0.138 C +ATOM 340 NE ARG A 228 7.109 38.469 26.936 1.00 31.70 -0.227 N +ATOM 341 CZ ARG A 228 8.356 38.960 27.002 1.00 34.39 0.665 C +ATOM 342 NH1 ARG A 228 9.067 38.913 28.138 1.00 38.17 -0.235 N +ATOM 343 NH2 ARG A 228 8.896 39.501 25.903 1.00 34.02 -0.235 N +ATOM 344 H ARG A 228 8.115 34.018 26.336 1.00 15.01 0.163 HD +ATOM 345 HE ARG A 228 6.608 38.563 26.061 1.00 31.70 0.177 HD +ATOM 346 HH11 ARG A 228 8.659 38.503 28.968 1.00 38.17 0.174 HD +ATOM 347 HH12 ARG A 228 10.003 39.286 28.178 1.00 38.17 0.174 HD +ATOM 348 HH21 ARG A 228 8.341 39.587 25.059 1.00 34.02 0.174 HD +ATOM 349 HH22 ARG A 228 9.834 39.875 25.913 1.00 34.02 0.174 HD +ATOM 350 N SER A 229 4.129 33.131 25.965 1.00 14.91 -0.344 N +ATOM 351 CA SER A 229 3.266 32.583 24.933 1.00 14.91 0.200 C +ATOM 352 C SER A 229 1.861 33.163 25.084 1.00 15.19 0.243 C +ATOM 353 O SER A 229 1.390 33.351 26.204 1.00 17.36 -0.271 OA +ATOM 354 CB SER A 229 3.320 31.046 24.954 1.00 14.13 0.199 C +ATOM 355 OG SER A 229 2.530 30.491 23.918 1.00 15.92 -0.398 OA +ATOM 356 H SER A 229 3.706 33.286 26.872 1.00 14.91 0.163 HD +ATOM 357 HG SER A 229 2.364 29.582 24.126 1.00 15.92 0.209 HD +ATOM 358 N VAL A 230 1.193 33.404 23.949 1.00 14.73 -0.346 N +ATOM 359 CA VAL A 230 -0.238 33.656 23.844 1.00 14.79 0.180 C +ATOM 360 C VAL A 230 -0.766 32.633 22.835 1.00 14.39 0.241 C +ATOM 361 O VAL A 230 -0.311 32.605 21.693 1.00 13.45 -0.271 OA +ATOM 362 CB VAL A 230 -0.540 35.122 23.425 1.00 16.09 0.009 C +ATOM 363 CG1 VAL A 230 -2.055 35.397 23.345 1.00 17.86 0.012 C +ATOM 364 CG2 VAL A 230 0.125 36.160 24.346 1.00 16.72 0.012 C +ATOM 365 H VAL A 230 1.684 33.253 23.078 1.00 14.73 0.163 HD +ATOM 366 N LEU A 231 -1.728 31.806 23.256 1.00 13.85 -0.346 N +ATOM 367 CA LEU A 231 -2.482 30.898 22.407 1.00 14.20 0.177 C +ATOM 368 C LEU A 231 -3.868 31.524 22.208 1.00 15.39 0.241 C +ATOM 369 O LEU A 231 -4.647 31.597 23.158 1.00 16.17 -0.271 OA +ATOM 370 CB LEU A 231 -2.651 29.533 23.118 1.00 13.99 0.038 C +ATOM 371 CG LEU A 231 -1.350 28.828 23.552 1.00 13.80 -0.020 C +ATOM 372 CD1 LEU A 231 -1.674 27.444 24.133 1.00 12.53 0.009 C +ATOM 373 CD2 LEU A 231 -0.328 28.710 22.415 1.00 12.97 0.009 C +ATOM 374 H LEU A 231 -2.044 31.898 24.215 1.00 13.85 0.163 HD +ATOM 375 N ASP A 232 -4.195 31.940 20.973 1.00 16.19 -0.346 N +ATOM 376 CA ASP A 232 -5.560 32.305 20.584 1.00 17.56 0.186 C +ATOM 377 C ASP A 232 -6.283 31.000 20.253 1.00 16.84 0.241 C +ATOM 378 O ASP A 232 -5.927 30.293 19.310 1.00 15.89 -0.271 OA +ATOM 379 CB ASP A 232 -5.573 33.220 19.343 1.00 18.73 0.147 C +ATOM 380 CG ASP A 232 -4.874 34.562 19.567 1.00 20.91 0.175 C +ATOM 381 OD1 ASP A 232 -5.154 35.191 20.611 1.00 26.17 -0.648 OA +ATOM 382 OD2 ASP A 232 -4.075 34.943 18.686 1.00 23.68 -0.648 OA +ATOM 383 H ASP A 232 -3.511 31.840 20.234 1.00 16.19 0.163 HD +ATOM 384 N MET A 233 -7.263 30.678 21.099 1.00 17.15 -0.346 N +ATOM 385 CA MET A 233 -7.955 29.406 21.180 1.00 16.56 0.177 C +ATOM 386 C MET A 233 -9.454 29.577 20.957 1.00 16.75 0.241 C +ATOM 387 O MET A 233 -9.991 30.680 21.037 1.00 17.83 -0.271 OA +ATOM 388 CB MET A 233 -7.698 28.795 22.571 1.00 16.42 0.045 C +ATOM 389 CG MET A 233 -6.250 28.333 22.743 1.00 16.25 0.076 C +ATOM 390 SD MET A 233 -5.929 27.344 24.219 1.00 18.12 -0.173 SA +ATOM 391 CE MET A 233 -6.875 25.852 23.818 1.00 16.30 0.089 C +ATOM 392 H MET A 233 -7.485 31.344 21.830 1.00 17.15 0.163 HD +ATOM 393 N ASP A 234 -10.119 28.447 20.705 1.00 15.75 -0.346 N +ATOM 394 CA ASP A 234 -11.561 28.314 20.575 1.00 16.60 0.186 C +ATOM 395 C ASP A 234 -12.008 26.970 21.160 1.00 16.84 0.241 C +ATOM 396 O ASP A 234 -11.187 26.096 21.447 1.00 16.40 -0.271 OA +ATOM 397 CB ASP A 234 -11.985 28.578 19.107 1.00 17.12 0.147 C +ATOM 398 CG ASP A 234 -13.450 28.980 18.882 1.00 19.56 0.175 C +ATOM 399 OD1 ASP A 234 -14.183 29.200 19.872 1.00 21.42 -0.648 OA +ATOM 400 OD2 ASP A 234 -13.804 29.103 17.689 1.00 25.53 -0.648 OA +ATOM 401 H ASP A 234 -9.586 27.588 20.666 1.00 15.75 0.163 HD +ATOM 402 N ILE A 235 -13.323 26.815 21.327 1.00 17.28 -0.346 N +ATOM 403 CA ILE A 235 -13.988 25.578 21.707 1.00 18.74 0.180 C +ATOM 404 C ILE A 235 -14.433 24.896 20.403 1.00 18.30 0.241 C +ATOM 405 O ILE A 235 -15.099 25.517 19.573 1.00 19.74 -0.271 OA +ATOM 406 CB ILE A 235 -15.212 25.945 22.593 1.00 20.01 0.013 C +ATOM 407 CG1 ILE A 235 -14.816 26.740 23.863 1.00 21.63 0.002 C +ATOM 408 CG2 ILE A 235 -16.036 24.708 22.979 1.00 21.82 0.012 C +ATOM 409 CD1 ILE A 235 -13.753 26.060 24.740 1.00 23.00 0.005 C +ATOM 410 H ILE A 235 -13.918 27.585 21.043 1.00 17.28 0.163 HD +ATOM 411 N SER A 236 -14.063 23.616 20.228 1.00 18.51 -0.344 N +ATOM 412 CA SER A 236 -14.443 22.798 19.075 1.00 18.10 0.200 C +ATOM 413 C SER A 236 -15.861 22.219 19.266 1.00 19.37 0.243 C +ATOM 414 O SER A 236 -16.420 22.259 20.364 1.00 19.55 -0.271 OA +ATOM 415 CB SER A 236 -13.406 21.657 18.917 1.00 17.79 0.199 C +ATOM 416 OG SER A 236 -13.686 20.524 19.711 1.00 17.42 -0.398 OA +ATOM 417 H SER A 236 -13.540 23.160 20.963 1.00 18.51 0.163 HD +ATOM 418 HG SER A 236 -12.936 19.943 19.689 1.00 17.42 0.209 HD +ATOM 419 N LYS A 237 -16.416 21.626 18.196 1.00 20.52 -0.346 N +ATOM 420 CA LYS A 237 -17.704 20.922 18.208 1.00 22.89 0.176 C +ATOM 421 C LYS A 237 -17.699 19.606 19.017 1.00 23.13 0.241 C +ATOM 422 O LYS A 237 -18.771 19.070 19.296 1.00 24.27 -0.271 OA +ATOM 423 CB LYS A 237 -18.148 20.647 16.754 1.00 23.76 0.035 C +ATOM 424 CG LYS A 237 -17.248 19.706 15.927 1.00 26.06 0.004 C +ATOM 425 CD LYS A 237 -17.846 19.435 14.536 1.00 31.09 0.027 C +ATOM 426 CE LYS A 237 -16.926 18.631 13.607 1.00 36.00 0.229 C +ATOM 427 NZ LYS A 237 -15.801 19.451 13.124 1.00 39.55 -0.079 N +ATOM 428 H LYS A 237 -15.900 21.630 17.328 1.00 20.52 0.163 HD +ATOM 429 HZ1 LYS A 237 -15.258 19.778 13.910 1.00 39.55 0.274 HD +ATOM 430 HZ2 LYS A 237 -15.214 18.900 12.513 1.00 39.55 0.274 HD +ATOM 431 HZ3 LYS A 237 -16.159 20.246 12.614 1.00 39.55 0.274 HD +ATOM 432 N HIS A 238 -16.514 19.094 19.390 1.00 23.00 -0.346 N +ATOM 433 CA HIS A 238 -16.318 17.852 20.140 1.00 22.92 0.182 C +ATOM 434 C HIS A 238 -16.208 18.091 21.657 1.00 23.15 0.241 C +ATOM 435 O HIS A 238 -16.083 17.120 22.403 1.00 24.51 -0.271 OA +ATOM 436 CB HIS A 238 -15.008 17.196 19.656 1.00 22.21 0.095 C +ATOM 437 CG HIS A 238 -14.992 16.901 18.179 1.00 24.90 0.053 A +ATOM 438 CD2 HIS A 238 -15.626 15.881 17.500 1.00 26.18 0.116 A +ATOM 439 ND1 HIS A 238 -14.305 17.700 17.256 1.00 24.90 -0.247 NA +ATOM 440 CE1 HIS A 238 -14.531 17.129 16.081 1.00 24.26 0.207 A +ATOM 441 NE2 HIS A 238 -15.313 16.053 16.164 1.00 28.68 -0.359 N +ATOM 442 H HIS A 238 -15.680 19.612 19.147 1.00 23.00 0.163 HD +ATOM 443 HE2 HIS A 238 -15.610 15.464 15.399 1.00 0.00 0.166 HD +ATOM 444 N ASN A 239 -16.277 19.352 22.122 1.00 22.34 -0.346 N +ATOM 445 CA ASN A 239 -16.242 19.738 23.534 1.00 22.65 0.185 C +ATOM 446 C ASN A 239 -17.514 19.259 24.254 1.00 23.83 0.241 C +ATOM 447 O ASN A 239 -18.615 19.322 23.705 1.00 24.29 -0.271 OA +ATOM 448 CB ASN A 239 -16.142 21.277 23.612 1.00 21.97 0.137 C +ATOM 449 CG ASN A 239 -15.784 21.796 25.012 1.00 24.28 0.217 C +ATOM 450 ND2 ASN A 239 -14.498 22.021 25.283 1.00 20.47 -0.370 N +ATOM 451 OD1 ASN A 239 -16.669 22.022 25.832 1.00 23.02 -0.274 OA +ATOM 452 H ASN A 239 -16.391 20.097 21.449 1.00 22.34 0.163 HD +ATOM 453 1HD2 ASN A 239 -13.792 21.867 24.574 1.00 20.47 0.159 HD +ATOM 454 2HD2 ASN A 239 -14.242 22.379 26.195 1.00 20.47 0.159 HD +ATOM 455 N VAL A 240 -17.332 18.803 25.500 1.00 24.74 -0.346 N +ATOM 456 CA VAL A 240 -18.354 18.265 26.397 1.00 25.67 0.180 C +ATOM 457 C VAL A 240 -18.311 18.947 27.779 1.00 26.18 0.241 C +ATOM 458 O VAL A 240 -18.837 18.404 28.751 1.00 27.94 -0.271 OA +ATOM 459 CB VAL A 240 -18.289 16.713 26.434 1.00 26.18 0.009 C +ATOM 460 CG1 VAL A 240 -18.682 16.081 25.087 1.00 26.87 0.012 C +ATOM 461 CG2 VAL A 240 -16.924 16.176 26.909 1.00 25.37 0.012 C +ATOM 462 H VAL A 240 -16.386 18.819 25.869 1.00 24.74 0.163 HD +ATOM 463 N GLY A 241 -17.698 20.140 27.867 1.00 24.89 -0.351 N +ATOM 464 CA GLY A 241 -17.563 20.932 29.086 1.00 25.10 0.225 C +ATOM 465 C GLY A 241 -16.429 20.465 30.007 1.00 24.37 0.236 C +ATOM 466 O GLY A 241 -16.476 20.741 31.203 1.00 25.35 -0.272 OA +ATOM 467 H GLY A 241 -17.293 20.530 27.025 1.00 24.89 0.163 HD +ATOM 468 N GLU A 242 -15.427 19.749 29.470 1.00 22.66 -0.346 N +ATOM 469 CA GLU A 242 -14.254 19.257 30.188 1.00 21.90 0.177 C +ATOM 470 C GLU A 242 -13.284 20.395 30.550 1.00 20.94 0.241 C +ATOM 471 O GLU A 242 -13.356 21.499 30.005 1.00 19.48 -0.271 OA +ATOM 472 CB GLU A 242 -13.547 18.182 29.319 1.00 22.29 0.045 C +ATOM 473 CG GLU A 242 -12.760 18.646 28.065 1.00 22.20 0.116 C +ATOM 474 CD GLU A 242 -13.577 18.622 26.771 1.00 24.92 0.172 C +ATOM 475 OE1 GLU A 242 -14.766 19.002 26.804 1.00 25.99 -0.648 OA +ATOM 476 OE2 GLU A 242 -12.991 18.200 25.752 1.00 22.23 -0.648 OA +ATOM 477 H GLU A 242 -15.451 19.564 28.474 1.00 22.66 0.163 HD +ATOM 478 N ASP A 243 -12.354 20.100 31.471 1.00 21.40 -0.346 N +ATOM 479 CA ASP A 243 -11.257 20.984 31.870 1.00 20.95 0.186 C +ATOM 480 C ASP A 243 -10.272 21.170 30.709 1.00 19.72 0.241 C +ATOM 481 O ASP A 243 -10.041 20.247 29.926 1.00 19.85 -0.271 OA +ATOM 482 CB ASP A 243 -10.497 20.393 33.084 1.00 21.43 0.147 C +ATOM 483 CG ASP A 243 -11.358 20.139 34.324 1.00 23.18 0.175 C +ATOM 484 OD1 ASP A 243 -12.342 20.884 34.521 1.00 22.37 -0.648 OA +ATOM 485 OD2 ASP A 243 -11.019 19.195 35.068 1.00 23.84 -0.648 OA +ATOM 486 H ASP A 243 -12.369 19.174 31.878 1.00 21.40 0.163 HD +ATOM 487 N LEU A 244 -9.688 22.370 30.614 1.00 17.94 -0.346 N +ATOM 488 CA LEU A 244 -8.651 22.702 29.646 1.00 16.46 0.177 C +ATOM 489 C LEU A 244 -7.313 22.219 30.218 1.00 15.71 0.241 C +ATOM 490 O LEU A 244 -6.752 22.842 31.119 1.00 15.87 -0.271 OA +ATOM 491 CB LEU A 244 -8.670 24.233 29.439 1.00 16.63 0.038 C +ATOM 492 CG LEU A 244 -7.545 24.827 28.564 1.00 15.88 -0.020 C +ATOM 493 CD1 LEU A 244 -7.463 24.178 27.174 1.00 19.38 0.009 C +ATOM 494 CD2 LEU A 244 -7.726 26.347 28.449 1.00 16.74 0.009 C +ATOM 495 H LEU A 244 -9.900 23.063 31.319 1.00 17.94 0.163 HD +ATOM 496 N VAL A 245 -6.838 21.079 29.694 1.00 15.58 -0.346 N +ATOM 497 CA VAL A 245 -5.608 20.415 30.108 1.00 14.77 0.180 C +ATOM 498 C VAL A 245 -4.568 20.614 28.997 1.00 13.67 0.241 C +ATOM 499 O VAL A 245 -4.711 20.077 27.898 1.00 14.01 -0.271 OA +ATOM 500 CB VAL A 245 -5.868 18.908 30.383 1.00 15.37 0.009 C +ATOM 501 CG1 VAL A 245 -4.588 18.179 30.840 1.00 13.94 0.012 C +ATOM 502 CG2 VAL A 245 -6.964 18.699 31.445 1.00 16.98 0.012 C +ATOM 503 H VAL A 245 -7.377 20.633 28.965 1.00 15.58 0.163 HD +ATOM 504 N PHE A 246 -3.505 21.364 29.311 1.00 13.52 -0.346 N +ATOM 505 CA PHE A 246 -2.311 21.504 28.486 1.00 13.02 0.180 C +ATOM 506 C PHE A 246 -1.244 20.538 29.005 1.00 13.40 0.241 C +ATOM 507 O PHE A 246 -1.129 20.316 30.208 1.00 13.56 -0.271 OA +ATOM 508 CB PHE A 246 -1.736 22.921 28.668 1.00 13.84 0.073 C +ATOM 509 CG PHE A 246 -2.609 24.028 28.117 1.00 14.73 -0.056 A +ATOM 510 CD1 PHE A 246 -2.775 24.163 26.725 1.00 12.42 0.007 A +ATOM 511 CD2 PHE A 246 -3.249 24.931 28.991 1.00 16.98 0.007 A +ATOM 512 CE1 PHE A 246 -3.570 25.198 26.203 1.00 13.21 0.001 A +ATOM 513 CE2 PHE A 246 -4.032 25.974 28.468 1.00 15.14 0.001 A +ATOM 514 CZ PHE A 246 -4.189 26.109 27.078 1.00 15.36 0.000 A +ATOM 515 H PHE A 246 -3.468 21.762 30.241 1.00 13.52 0.163 HD +ATOM 516 N ASP A 247 -0.419 20.028 28.086 1.00 11.75 -0.345 N +ATOM 517 CA ASP A 247 0.844 19.354 28.361 1.00 11.77 0.186 C +ATOM 518 C ASP A 247 1.901 20.432 28.630 1.00 11.30 0.241 C +ATOM 519 O ASP A 247 2.069 21.355 27.831 1.00 11.77 -0.271 OA +ATOM 520 CB ASP A 247 1.289 18.544 27.120 1.00 12.53 0.147 C +ATOM 521 CG ASP A 247 0.262 17.509 26.669 1.00 14.46 0.175 C +ATOM 522 OD1 ASP A 247 0.159 16.474 27.360 1.00 16.97 -0.648 OA +ATOM 523 OD2 ASP A 247 -0.413 17.769 25.649 1.00 17.08 -0.648 OA +ATOM 524 H ASP A 247 -0.577 20.275 27.116 1.00 11.75 0.163 HD +ATOM 525 N GLY A 248 2.611 20.304 29.756 1.00 11.51 -0.351 N +ATOM 526 CA GLY A 248 3.705 21.175 30.148 1.00 10.88 0.225 C +ATOM 527 C GLY A 248 4.639 20.396 31.064 1.00 10.96 0.236 C +ATOM 528 O GLY A 248 4.266 20.118 32.199 1.00 12.90 -0.272 OA +ATOM 529 H GLY A 248 2.410 19.520 30.365 1.00 11.51 0.163 HD +ATOM 530 N VAL A 249 5.842 20.042 30.596 1.00 10.81 -0.346 N +ATOM 531 CA VAL A 249 6.781 19.184 31.321 1.00 11.23 0.180 C +ATOM 532 C VAL A 249 7.994 20.022 31.732 1.00 12.42 0.241 C +ATOM 533 O VAL A 249 8.677 20.571 30.873 1.00 11.85 -0.271 OA +ATOM 534 CB VAL A 249 7.167 17.980 30.417 1.00 10.99 0.009 C +ATOM 535 CG1 VAL A 249 8.292 17.106 31.005 1.00 12.36 0.012 C +ATOM 536 CG2 VAL A 249 5.946 17.088 30.124 1.00 13.55 0.012 C +ATOM 537 H VAL A 249 6.107 20.346 29.668 1.00 10.81 0.163 HD +ATOM 538 N GLY A 250 8.282 20.101 33.042 1.00 13.05 -0.351 N +ATOM 539 CA GLY A 250 9.479 20.748 33.583 1.00 13.72 0.225 C +ATOM 540 C GLY A 250 9.477 22.286 33.554 1.00 13.70 0.236 C +ATOM 541 O GLY A 250 10.532 22.895 33.725 1.00 14.73 -0.272 OA +ATOM 542 H GLY A 250 7.673 19.631 33.698 1.00 13.05 0.163 HD +ATOM 543 N LEU A 251 8.316 22.915 33.312 1.00 13.62 -0.346 N +ATOM 544 CA LEU A 251 8.154 24.364 33.188 1.00 13.79 0.177 C +ATOM 545 C LEU A 251 7.974 24.970 34.587 1.00 15.39 0.241 C +ATOM 546 O LEU A 251 7.203 24.451 35.390 1.00 17.20 -0.271 OA +ATOM 547 CB LEU A 251 6.868 24.662 32.375 1.00 13.71 0.038 C +ATOM 548 CG LEU A 251 6.782 23.994 30.984 1.00 11.93 -0.020 C +ATOM 549 CD1 LEU A 251 5.460 24.351 30.298 1.00 13.61 0.009 C +ATOM 550 CD2 LEU A 251 7.964 24.354 30.076 1.00 14.96 0.009 C +ATOM 551 H LEU A 251 7.479 22.354 33.220 1.00 13.62 0.163 HD +ATOM 552 N LYS A 252 8.664 26.084 34.871 1.00 15.26 -0.346 N +ATOM 553 CA LYS A 252 8.465 26.875 36.083 1.00 15.68 0.176 C +ATOM 554 C LYS A 252 7.537 28.033 35.698 1.00 15.33 0.241 C +ATOM 555 O LYS A 252 7.939 28.904 34.932 1.00 15.39 -0.271 OA +ATOM 556 CB LYS A 252 9.830 27.442 36.523 1.00 15.85 0.035 C +ATOM 557 CG LYS A 252 9.789 28.261 37.830 1.00 19.42 0.004 C +ATOM 558 CD LYS A 252 10.997 29.191 38.000 0.00 10.84 0.027 C +ATOM 559 CE LYS A 252 12.342 28.461 38.107 0.00 10.73 0.229 C +ATOM 560 NZ LYS A 252 13.454 29.422 38.193 0.00 10.99 -0.079 N +ATOM 561 H LYS A 252 9.283 26.466 34.170 1.00 15.26 0.163 HD +ATOM 562 HZ1 LYS A 252 13.329 30.014 39.002 1.00 10.99 0.274 HD +ATOM 563 HZ2 LYS A 252 14.336 28.935 38.272 1.00 10.99 0.274 HD +ATOM 564 HZ3 LYS A 252 13.474 30.002 37.365 1.00 10.99 0.274 HD +ATOM 565 N ILE A 253 6.311 28.056 36.241 1.00 15.79 -0.346 N +ATOM 566 CA ILE A 253 5.311 29.094 35.985 1.00 16.61 0.180 C +ATOM 567 C ILE A 253 5.682 30.355 36.784 1.00 18.54 0.241 C +ATOM 568 O ILE A 253 5.795 30.300 38.010 1.00 18.18 -0.271 OA +ATOM 569 CB ILE A 253 3.898 28.584 36.414 1.00 16.44 0.013 C +ATOM 570 CG1 ILE A 253 3.489 27.322 35.615 1.00 16.67 0.002 C +ATOM 571 CG2 ILE A 253 2.819 29.687 36.281 1.00 15.72 0.012 C +ATOM 572 CD1 ILE A 253 2.150 26.698 36.041 1.00 16.99 0.005 C +ATOM 573 H ILE A 253 6.053 27.312 36.878 1.00 15.79 0.163 HD +ATOM 574 N ASN A 254 5.804 31.495 36.084 1.00 19.46 -0.346 N +ATOM 575 CA ASN A 254 5.798 32.830 36.687 1.00 20.96 0.185 C +ATOM 576 C ASN A 254 4.348 33.320 36.781 1.00 22.26 0.241 C +ATOM 577 O ASN A 254 3.931 33.794 37.838 1.00 21.76 -0.271 OA +ATOM 578 CB ASN A 254 6.589 33.834 35.813 1.00 21.71 0.137 C +ATOM 579 CG ASN A 254 8.105 33.616 35.837 1.00 24.88 0.217 C +ATOM 580 ND2 ASN A 254 8.819 34.270 34.921 1.00 26.40 -0.370 N +ATOM 581 OD1 ASN A 254 8.632 32.875 36.665 1.00 26.25 -0.274 OA +ATOM 582 H ASN A 254 5.726 31.447 35.076 1.00 19.46 0.163 HD +ATOM 583 1HD2 ASN A 254 8.363 34.919 34.284 1.00 26.40 0.159 HD +ATOM 584 2HD2 ASN A 254 9.821 34.156 34.891 1.00 26.40 0.159 HD +ATOM 585 N GLU A 255 3.579 33.172 35.690 1.00 21.49 -0.346 N +ATOM 586 CA GLU A 255 2.163 33.502 35.616 1.00 23.34 0.177 C +ATOM 587 C GLU A 255 1.490 32.782 34.445 1.00 21.59 0.241 C +ATOM 588 O GLU A 255 2.139 32.469 33.448 1.00 19.32 -0.271 OA +ATOM 589 CB GLU A 255 1.957 35.032 35.589 1.00 24.33 0.045 C +ATOM 590 CG GLU A 255 2.641 35.764 34.417 1.00 26.92 0.116 C +ATOM 591 CD GLU A 255 2.259 37.242 34.394 1.00 27.67 0.172 C +ATOM 592 OE1 GLU A 255 1.082 37.517 34.071 1.00 31.23 -0.648 OA +ATOM 593 OE2 GLU A 255 3.143 38.067 34.708 1.00 36.21 -0.648 OA +ATOM 594 H GLU A 255 3.994 32.773 34.860 1.00 21.49 0.163 HD +ATOM 595 N ILE A 256 0.170 32.582 34.568 1.00 21.33 -0.346 N +ATOM 596 CA ILE A 256 -0.753 32.200 33.502 1.00 20.22 0.180 C +ATOM 597 C ILE A 256 -2.001 33.090 33.591 1.00 19.70 0.241 C +ATOM 598 O ILE A 256 -2.362 33.548 34.676 1.00 18.16 -0.271 OA +ATOM 599 CB ILE A 256 -1.034 30.669 33.439 1.00 21.06 0.013 C +ATOM 600 CG1 ILE A 256 -1.998 30.172 34.537 1.00 22.21 0.002 C +ATOM 601 CG2 ILE A 256 0.243 29.812 33.386 1.00 20.41 0.012 C +ATOM 602 CD1 ILE A 256 -2.405 28.708 34.387 1.00 22.16 0.005 C +ATOM 603 H ILE A 256 -0.264 32.867 35.437 1.00 21.33 0.163 HD +ATOM 604 N SER A 257 -2.653 33.328 32.444 1.00 18.32 -0.344 N +ATOM 605 CA SER A 257 -3.824 34.187 32.292 1.00 19.13 0.200 C +ATOM 606 C SER A 257 -4.791 33.620 31.249 1.00 19.02 0.243 C +ATOM 607 O SER A 257 -4.388 32.872 30.359 1.00 18.24 -0.271 OA +ATOM 608 CB SER A 257 -3.403 35.630 31.939 1.00 19.44 0.199 C +ATOM 609 OG SER A 257 -2.631 36.226 32.956 1.00 23.00 -0.398 OA +ATOM 610 H SER A 257 -2.294 32.903 31.597 1.00 18.32 0.163 HD +ATOM 611 HG SER A 257 -2.546 37.155 32.778 1.00 23.00 0.209 HD +ATOM 612 N ILE A 258 -6.061 34.042 31.335 1.00 18.98 -0.346 N +ATOM 613 CA ILE A 258 -7.095 33.885 30.314 1.00 18.94 0.180 C +ATOM 614 C ILE A 258 -7.699 35.272 30.088 1.00 19.37 0.241 C +ATOM 615 O ILE A 258 -8.222 35.874 31.024 1.00 20.64 -0.271 OA +ATOM 616 CB ILE A 258 -8.131 32.790 30.699 1.00 18.55 0.013 C +ATOM 617 CG1 ILE A 258 -7.499 31.382 30.615 1.00 19.50 0.002 C +ATOM 618 CG2 ILE A 258 -9.405 32.864 29.829 1.00 18.10 0.012 C +ATOM 619 CD1 ILE A 258 -8.408 30.231 31.064 1.00 21.04 0.005 C +ATOM 620 H ILE A 258 -6.296 34.649 32.110 1.00 18.98 0.163 HD +ATOM 621 N ASN A 259 -7.606 35.775 28.845 1.00 18.90 -0.346 N +ATOM 622 CA ASN A 259 -8.119 37.062 28.359 1.00 20.52 0.185 C +ATOM 623 C ASN A 259 -7.510 38.270 29.098 1.00 21.00 0.241 C +ATOM 624 O ASN A 259 -8.179 39.281 29.304 1.00 21.78 -0.271 OA +ATOM 625 CB ASN A 259 -9.671 37.085 28.314 1.00 20.63 0.137 C +ATOM 626 CG ASN A 259 -10.263 36.098 27.301 1.00 21.81 0.217 C +ATOM 627 ND2 ASN A 259 -9.993 36.312 26.012 1.00 19.57 -0.370 N +ATOM 628 OD1 ASN A 259 -11.000 35.186 27.665 1.00 22.10 -0.274 OA +ATOM 629 H ASN A 259 -7.142 35.198 28.153 1.00 18.90 0.163 HD +ATOM 630 1HD2 ASN A 259 -9.425 37.100 25.733 1.00 19.57 0.159 HD +ATOM 631 2HD2 ASN A 259 -10.434 35.737 25.310 1.00 19.57 0.159 HD +ATOM 632 N ASN A 260 -6.248 38.129 29.539 1.00 21.52 -0.346 N +ATOM 633 CA ASN A 260 -5.439 39.102 30.281 1.00 23.21 0.185 C +ATOM 634 C ASN A 260 -5.773 39.186 31.783 1.00 24.00 0.241 C +ATOM 635 O ASN A 260 -5.220 40.042 32.474 1.00 25.20 -0.271 OA +ATOM 636 CB ASN A 260 -5.306 40.484 29.585 1.00 23.69 0.137 C +ATOM 637 CG ASN A 260 -4.701 40.402 28.180 1.00 26.64 0.217 C +ATOM 638 ND2 ASN A 260 -5.425 40.889 27.171 1.00 22.95 -0.370 N +ATOM 639 OD1 ASN A 260 -3.602 39.881 28.002 1.00 33.51 -0.274 OA +ATOM 640 H ASN A 260 -5.786 37.257 29.313 1.00 21.52 0.163 HD +ATOM 641 1HD2 ASN A 260 -6.333 41.294 27.347 1.00 22.95 0.159 HD +ATOM 642 2HD2 ASN A 260 -5.063 40.837 26.230 1.00 22.95 0.159 HD +ATOM 643 N LYS A 261 -6.642 38.299 32.302 1.00 23.48 -0.346 N +ATOM 644 CA LYS A 261 -6.914 38.150 33.730 1.00 24.94 0.176 C +ATOM 645 C LYS A 261 -6.021 37.019 34.253 1.00 24.33 0.241 C +ATOM 646 O LYS A 261 -6.127 35.882 33.788 1.00 22.27 -0.271 OA +ATOM 647 CB LYS A 261 -8.393 37.753 33.939 1.00 25.63 0.035 C +ATOM 648 CG LYS A 261 -8.782 37.653 35.427 1.00 26.32 0.004 C +ATOM 649 CD LYS A 261 -10.246 37.254 35.653 1.00 28.04 0.027 C +ATOM 650 CE LYS A 261 -10.593 37.080 37.141 1.00 34.73 0.229 C +ATOM 651 NZ LYS A 261 -9.967 35.873 37.718 1.00 36.50 -0.079 N +ATOM 652 H LYS A 261 -7.072 37.629 31.678 1.00 23.48 0.163 HD +ATOM 653 HZ1 LYS A 261 -8.962 35.938 37.650 1.00 36.50 0.274 HD +ATOM 654 HZ2 LYS A 261 -10.227 35.779 38.689 1.00 36.50 0.274 HD +ATOM 655 HZ3 LYS A 261 -10.277 35.048 37.222 1.00 36.50 0.274 HD +ATOM 656 N LYS A 262 -5.175 37.343 35.242 1.00 24.79 -0.346 N +ATOM 657 CA LYS A 262 -4.252 36.428 35.908 1.00 25.58 0.176 C +ATOM 658 C LYS A 262 -5.023 35.372 36.709 1.00 26.02 0.241 C +ATOM 659 O LYS A 262 -5.880 35.699 37.531 1.00 26.92 -0.271 OA +ATOM 660 CB LYS A 262 -3.322 37.246 36.825 1.00 26.32 0.035 C +ATOM 661 CG LYS A 262 -2.056 36.486 37.256 1.00 28.18 0.004 C +ATOM 662 CD LYS A 262 -1.223 37.290 38.268 1.00 30.40 0.027 C +ATOM 663 CE LYS A 262 0.171 36.703 38.528 1.00 35.46 0.229 C +ATOM 664 NZ LYS A 262 0.110 35.360 39.132 1.00 39.05 -0.079 N +ATOM 665 H LYS A 262 -5.178 38.298 35.570 1.00 24.79 0.163 HD +ATOM 666 HZ1 LYS A 262 -0.344 34.718 38.494 1.00 39.05 0.274 HD +ATOM 667 HZ2 LYS A 262 1.048 35.032 39.312 1.00 39.05 0.274 HD +ATOM 668 HZ3 LYS A 262 -0.407 35.397 39.998 1.00 39.05 0.274 HD +ATOM 669 N LEU A 263 -4.702 34.103 36.439 1.00 26.43 -0.346 N +ATOM 670 CA LEU A 263 -5.282 32.932 37.078 1.00 27.48 0.177 C +ATOM 671 C LEU A 263 -4.516 32.634 38.378 1.00 28.57 0.241 C +ATOM 672 O LEU A 263 -3.299 32.815 38.427 1.00 28.60 -0.271 OA +ATOM 673 CB LEU A 263 -5.145 31.746 36.096 1.00 27.09 0.038 C +ATOM 674 CG LEU A 263 -6.447 31.350 35.372 1.00 28.80 -0.020 C +ATOM 675 CD1 LEU A 263 -7.035 32.500 34.541 1.00 31.20 0.009 C +ATOM 676 CD2 LEU A 263 -6.212 30.117 34.483 1.00 26.99 0.009 C +ATOM 677 H LEU A 263 -3.974 33.934 35.757 1.00 26.43 0.163 HD +ATOM 678 N VAL A 264 -5.223 32.181 39.425 1.00 30.60 -0.346 N +ATOM 679 CA VAL A 264 -4.645 31.829 40.726 1.00 32.88 0.180 C +ATOM 680 C VAL A 264 -4.556 30.301 40.873 1.00 32.74 0.241 C +ATOM 681 O VAL A 264 -5.482 29.569 40.520 1.00 32.84 -0.271 OA +ATOM 682 CB VAL A 264 -5.469 32.459 41.883 1.00 34.20 0.009 C +ATOM 683 CG1 VAL A 264 -5.195 33.968 41.996 1.00 36.40 0.012 C +ATOM 684 CG2 VAL A 264 -6.985 32.207 41.823 1.00 35.40 0.012 C +ATOM 685 H VAL A 264 -6.227 32.082 39.319 1.00 30.60 0.163 HD +ATOM 686 N GLU A 265 -3.413 29.828 41.396 1.00 32.65 -0.346 N +ATOM 687 CA GLU A 265 -3.097 28.416 41.599 1.00 32.86 0.177 C +ATOM 688 C GLU A 265 -3.908 27.859 42.782 1.00 33.41 0.240 C +ATOM 689 O GLU A 265 -4.099 28.532 43.796 1.00 33.71 -0.271 OA +ATOM 690 CB GLU A 265 -1.572 28.291 41.846 1.00 33.09 0.045 C +ATOM 691 CG GLU A 265 -0.988 26.864 41.710 1.00 36.93 0.116 C +ATOM 692 CD GLU A 265 -1.161 25.982 42.947 1.00 42.70 0.172 C +ATOM 693 OE1 GLU A 265 -0.650 26.384 44.014 1.00 48.34 -0.648 OA +ATOM 694 OE2 GLU A 265 -1.800 24.917 42.801 1.00 44.81 -0.648 OA +ATOM 695 H GLU A 265 -2.707 30.494 41.673 1.00 32.65 0.163 HD +ATOM 696 N GLY A 266 -4.389 26.622 42.620 1.00 33.29 -0.351 N +ATOM 697 CA GLY A 266 -5.202 25.862 43.555 1.00 34.80 0.225 C +ATOM 698 C GLY A 266 -6.696 26.044 43.284 1.00 35.78 0.236 C +ATOM 699 O GLY A 266 -7.423 25.056 43.188 1.00 36.35 -0.272 OA +ATOM 700 H GLY A 266 -4.181 26.154 41.745 1.00 33.29 0.163 HD +ATOM 701 N GLU A 267 -7.150 27.301 43.153 1.00 36.00 -0.346 N +ATOM 702 CA GLU A 267 -8.553 27.659 42.958 1.00 36.78 0.177 C +ATOM 703 C GLU A 267 -8.974 27.548 41.482 1.00 34.54 0.241 C +ATOM 704 O GLU A 267 -10.035 26.986 41.213 1.00 35.16 -0.271 OA +ATOM 705 CB GLU A 267 -8.763 29.098 43.483 1.00 37.06 0.045 C +ATOM 706 CG GLU A 267 -10.165 29.704 43.234 1.00 39.99 0.116 C +ATOM 707 CD GLU A 267 -10.307 31.140 43.742 1.00 40.65 0.172 C +ATOM 708 OE1 GLU A 267 -9.637 31.482 44.741 1.00 43.61 -0.648 OA +ATOM 709 OE2 GLU A 267 -11.103 31.876 43.118 1.00 45.07 -0.648 OA +ATOM 710 H GLU A 267 -6.485 28.058 43.240 1.00 36.00 0.163 HD +ATOM 711 N GLU A 268 -8.166 28.077 40.543 1.00 32.35 -0.346 N +ATOM 712 CA GLU A 268 -8.497 28.152 39.115 1.00 29.90 0.177 C +ATOM 713 C GLU A 268 -7.652 27.205 38.252 1.00 27.88 0.241 C +ATOM 714 O GLU A 268 -8.084 26.871 37.148 1.00 26.76 -0.271 OA +ATOM 715 CB GLU A 268 -8.346 29.604 38.612 1.00 30.32 0.045 C +ATOM 716 CG GLU A 268 -9.317 30.585 39.300 1.00 30.46 0.116 C +ATOM 717 CD GLU A 268 -9.251 31.999 38.722 1.00 32.00 0.172 C +ATOM 718 OE1 GLU A 268 -8.127 32.535 38.675 1.00 33.95 -0.648 OA +ATOM 719 OE2 GLU A 268 -10.315 32.538 38.348 1.00 36.75 -0.648 OA +ATOM 720 H GLU A 268 -7.309 28.525 40.839 1.00 32.35 0.163 HD +ATOM 721 N TYR A 269 -6.493 26.738 38.747 1.00 25.99 -0.346 N +ATOM 722 CA TYR A 269 -5.654 25.749 38.073 1.00 24.33 0.180 C +ATOM 723 C TYR A 269 -4.829 24.910 39.048 1.00 23.80 0.241 C +ATOM 724 O TYR A 269 -4.579 25.322 40.176 1.00 23.48 -0.271 OA +ATOM 725 CB TYR A 269 -4.791 26.387 36.961 1.00 23.77 0.073 C +ATOM 726 CG TYR A 269 -3.586 27.187 37.434 1.00 24.32 -0.056 A +ATOM 727 CD1 TYR A 269 -3.738 28.547 37.758 1.00 24.80 0.010 A +ATOM 728 CD2 TYR A 269 -2.310 26.588 37.528 1.00 23.96 0.010 A +ATOM 729 CE1 TYR A 269 -2.615 29.317 38.111 1.00 26.12 0.037 A +ATOM 730 CE2 TYR A 269 -1.189 27.355 37.902 1.00 24.37 0.037 A +ATOM 731 CZ TYR A 269 -1.340 28.728 38.176 1.00 26.25 0.065 A +ATOM 732 OH TYR A 269 -0.264 29.497 38.508 1.00 26.89 -0.361 OA +ATOM 733 H TYR A 269 -6.199 27.041 39.664 1.00 25.99 0.163 HD +ATOM 734 HH TYR A 269 0.521 28.991 38.672 1.00 26.89 0.217 HD +ATOM 735 N THR A 270 -4.341 23.766 38.559 1.00 22.54 -0.344 N +ATOM 736 CA THR A 270 -3.323 22.926 39.181 1.00 22.20 0.205 C +ATOM 737 C THR A 270 -2.263 22.568 38.137 1.00 20.21 0.243 C +ATOM 738 O THR A 270 -2.567 22.435 36.951 1.00 18.43 -0.271 OA +ATOM 739 CB THR A 270 -3.948 21.701 39.888 1.00 22.58 0.146 C +ATOM 740 CG2 THR A 270 -4.786 22.068 41.120 1.00 25.41 0.042 C +ATOM 741 OG1 THR A 270 -4.708 20.920 38.982 1.00 25.89 -0.393 OA +ATOM 742 H THR A 270 -4.622 23.497 37.624 1.00 22.54 0.163 HD +ATOM 743 HG1 THR A 270 -4.979 20.128 39.419 1.00 25.89 0.210 HD +ATOM 744 N TYR A 271 -1.016 22.413 38.600 1.00 18.99 -0.346 N +ATOM 745 CA TYR A 271 0.146 22.047 37.806 1.00 17.93 0.180 C +ATOM 746 C TYR A 271 1.013 21.063 38.598 1.00 18.69 0.241 C +ATOM 747 O TYR A 271 1.497 21.398 39.679 1.00 19.83 -0.271 OA +ATOM 748 CB TYR A 271 0.889 23.311 37.331 1.00 17.23 0.073 C +ATOM 749 CG TYR A 271 2.082 23.001 36.450 1.00 15.63 -0.056 A +ATOM 750 CD1 TYR A 271 3.394 23.271 36.884 1.00 17.47 0.010 A +ATOM 751 CD2 TYR A 271 1.876 22.384 35.204 1.00 15.43 0.010 A +ATOM 752 CE1 TYR A 271 4.488 22.931 36.068 1.00 17.85 0.037 A +ATOM 753 CE2 TYR A 271 2.966 22.026 34.399 1.00 14.97 0.037 A +ATOM 754 CZ TYR A 271 4.277 22.318 34.818 1.00 15.77 0.065 A +ATOM 755 OH TYR A 271 5.339 21.966 34.037 1.00 14.89 -0.361 OA +ATOM 756 H TYR A 271 -0.859 22.535 39.595 1.00 18.99 0.163 HD +ATOM 757 HH TYR A 271 5.070 21.423 33.308 1.00 14.89 0.217 HD +ATOM 758 N ASP A 272 1.206 19.857 38.044 1.00 18.54 -0.345 N +ATOM 759 CA ASP A 272 1.889 18.725 38.679 1.00 19.21 0.186 C +ATOM 760 C ASP A 272 3.264 18.433 38.043 1.00 18.87 0.241 C +ATOM 761 O ASP A 272 3.859 17.401 38.356 1.00 19.08 -0.271 OA +ATOM 762 CB ASP A 272 0.957 17.484 38.599 1.00 20.12 0.147 C +ATOM 763 CG ASP A 272 0.632 16.927 37.202 1.00 20.50 0.175 C +ATOM 764 OD1 ASP A 272 1.025 17.549 36.194 1.00 20.07 -0.648 OA +ATOM 765 OD2 ASP A 272 -0.031 15.868 37.169 1.00 22.78 -0.648 OA +ATOM 766 H ASP A 272 0.787 19.672 37.142 1.00 18.54 0.163 HD +ATOM 767 N ASN A 273 3.752 19.308 37.146 1.00 18.54 -0.346 N +ATOM 768 CA ASN A 273 5.026 19.214 36.423 1.00 18.48 0.185 C +ATOM 769 C ASN A 273 4.933 18.374 35.132 1.00 17.57 0.241 C +ATOM 770 O ASN A 273 5.963 18.031 34.552 1.00 16.31 -0.271 OA +ATOM 771 CB ASN A 273 6.227 18.901 37.357 1.00 19.95 0.137 C +ATOM 772 CG ASN A 273 7.573 19.394 36.819 1.00 23.15 0.217 C +ATOM 773 ND2 ASN A 273 8.577 18.516 36.792 1.00 26.22 -0.370 N +ATOM 774 OD1 ASN A 273 7.697 20.545 36.406 1.00 28.04 -0.274 OA +ATOM 775 H ASN A 273 3.185 20.120 36.949 1.00 18.54 0.163 HD +ATOM 776 1HD2 ASN A 273 8.436 17.584 37.160 1.00 26.22 0.159 HD +ATOM 777 2HD2 ASN A 273 9.483 18.794 36.444 1.00 26.22 0.159 HD +ATOM 778 N GLU A 274 3.709 18.057 34.676 1.00 17.62 -0.346 N +ATOM 779 CA GLU A 274 3.424 17.278 33.471 1.00 17.52 0.177 C +ATOM 780 C GLU A 274 2.189 17.801 32.726 1.00 16.06 0.241 C +ATOM 781 O GLU A 274 2.208 17.895 31.499 1.00 14.46 -0.271 OA +ATOM 782 CB GLU A 274 3.397 15.771 33.805 1.00 17.31 0.045 C +ATOM 783 CG GLU A 274 3.113 14.849 32.600 1.00 20.41 0.116 C +ATOM 784 CD GLU A 274 3.103 13.359 32.952 1.00 21.03 0.172 C +ATOM 785 OE1 GLU A 274 2.961 13.032 34.149 1.00 23.53 -0.648 OA +ATOM 786 OE2 GLU A 274 3.216 12.554 32.001 1.00 25.23 -0.648 OA +ATOM 787 H GLU A 274 2.911 18.347 35.225 1.00 17.62 0.163 HD +ATOM 788 N PHE A 275 1.132 18.157 33.470 1.00 15.71 -0.346 N +ATOM 789 CA PHE A 275 -0.133 18.674 32.965 1.00 15.73 0.180 C +ATOM 790 C PHE A 275 -0.518 19.931 33.748 1.00 15.89 0.241 C +ATOM 791 O PHE A 275 -0.467 19.929 34.977 1.00 16.58 -0.271 OA +ATOM 792 CB PHE A 275 -1.234 17.603 33.091 1.00 16.52 0.073 C +ATOM 793 CG PHE A 275 -0.952 16.288 32.389 1.00 19.09 -0.056 A +ATOM 794 CD1 PHE A 275 -0.950 16.212 30.980 1.00 18.78 0.007 A +ATOM 795 CD2 PHE A 275 -0.681 15.133 33.153 1.00 21.56 0.007 A +ATOM 796 CE1 PHE A 275 -0.678 14.985 30.343 1.00 18.31 0.001 A +ATOM 797 CE2 PHE A 275 -0.412 13.908 32.514 1.00 20.99 0.001 A +ATOM 798 CZ PHE A 275 -0.406 13.835 31.109 1.00 19.29 0.000 A +ATOM 799 H PHE A 275 1.183 18.012 34.474 1.00 15.71 0.163 HD +ATOM 800 N LEU A 276 -0.949 20.981 33.036 1.00 14.48 -0.346 N +ATOM 801 CA LEU A 276 -1.615 22.158 33.586 1.00 15.36 0.177 C +ATOM 802 C LEU A 276 -3.109 21.993 33.301 1.00 16.17 0.241 C +ATOM 803 O LEU A 276 -3.528 22.106 32.151 1.00 15.53 -0.271 OA +ATOM 804 CB LEU A 276 -1.056 23.420 32.884 1.00 14.39 0.038 C +ATOM 805 CG LEU A 276 -1.862 24.729 33.056 1.00 15.79 -0.020 C +ATOM 806 CD1 LEU A 276 -2.014 25.122 34.530 1.00 17.20 0.009 C +ATOM 807 CD2 LEU A 276 -1.239 25.872 32.248 1.00 15.22 0.009 C +ATOM 808 H LEU A 276 -0.964 20.886 32.028 1.00 14.48 0.163 HD +ATOM 809 N THR A 277 -3.898 21.745 34.355 1.00 18.36 -0.344 N +ATOM 810 CA THR A 277 -5.352 21.617 34.304 1.00 18.59 0.205 C +ATOM 811 C THR A 277 -5.941 22.936 34.811 1.00 19.60 0.243 C +ATOM 812 O THR A 277 -5.735 23.294 35.968 1.00 20.49 -0.271 OA +ATOM 813 CB THR A 277 -5.779 20.475 35.258 1.00 19.38 0.146 C +ATOM 814 CG2 THR A 277 -7.302 20.248 35.334 1.00 19.66 0.042 C +ATOM 815 OG1 THR A 277 -5.207 19.273 34.789 1.00 18.59 -0.393 OA +ATOM 816 H THR A 277 -3.471 21.699 35.271 1.00 18.36 0.163 HD +ATOM 817 HG1 THR A 277 -4.275 19.313 34.953 1.00 18.59 0.210 HD +ATOM 818 N ILE A 278 -6.697 23.631 33.952 1.00 20.33 -0.346 N +ATOM 819 CA ILE A 278 -7.522 24.785 34.299 1.00 21.25 0.180 C +ATOM 820 C ILE A 278 -8.961 24.258 34.331 1.00 21.91 0.241 C +ATOM 821 O ILE A 278 -9.434 23.694 33.342 1.00 22.46 -0.271 OA +ATOM 822 CB ILE A 278 -7.364 25.884 33.215 1.00 21.15 0.013 C +ATOM 823 CG1 ILE A 278 -5.898 26.368 33.108 1.00 22.09 0.002 C +ATOM 824 CG2 ILE A 278 -8.310 27.080 33.459 1.00 21.23 0.012 C +ATOM 825 CD1 ILE A 278 -5.556 26.969 31.743 1.00 25.13 0.005 C +ATOM 826 H ILE A 278 -6.794 23.276 33.008 1.00 20.33 0.163 HD +ATOM 827 N PHE A 279 -9.645 24.434 35.472 1.00 22.67 -0.346 N +ATOM 828 CA PHE A 279 -10.968 23.867 35.730 1.00 23.33 0.180 C +ATOM 829 C PHE A 279 -12.033 24.546 34.858 1.00 23.15 0.241 C +ATOM 830 O PHE A 279 -12.033 25.769 34.723 1.00 23.51 -0.271 OA +ATOM 831 CB PHE A 279 -11.321 24.036 37.220 1.00 24.54 0.073 C +ATOM 832 CG PHE A 279 -10.293 23.467 38.179 1.00 27.18 -0.056 A +ATOM 833 CD1 PHE A 279 -9.983 22.091 38.155 1.00 27.86 0.007 A +ATOM 834 CD2 PHE A 279 -9.633 24.317 39.090 1.00 29.21 0.007 A +ATOM 835 CE1 PHE A 279 -9.024 21.570 39.042 1.00 26.33 0.001 A +ATOM 836 CE2 PHE A 279 -8.673 23.796 39.978 1.00 28.49 0.001 A +ATOM 837 CZ PHE A 279 -8.375 22.420 39.957 1.00 27.72 0.000 A +ATOM 838 H PHE A 279 -9.195 24.928 36.231 1.00 22.67 0.163 HD +ATOM 839 N SER A 280 -12.903 23.722 34.250 1.00 23.34 -0.344 N +ATOM 840 CA SER A 280 -13.901 24.036 33.221 1.00 23.75 0.200 C +ATOM 841 C SER A 280 -14.760 25.298 33.421 1.00 24.21 0.243 C +ATOM 842 O SER A 280 -15.081 25.965 32.437 1.00 23.90 -0.271 OA +ATOM 843 CB SER A 280 -14.754 22.786 32.944 1.00 24.54 0.199 C +ATOM 844 OG SER A 280 -15.673 22.513 33.984 1.00 28.09 -0.398 OA +ATOM 845 H SER A 280 -12.778 22.732 34.434 1.00 23.34 0.163 HD +ATOM 846 HG SER A 280 -15.186 22.320 34.771 1.00 28.09 0.209 HD +ATOM 847 N LYS A 281 -15.113 25.641 34.674 1.00 25.10 -0.346 N +ATOM 848 CA LYS A 281 -15.905 26.824 35.023 1.00 26.29 0.176 C +ATOM 849 C LYS A 281 -15.179 28.161 34.755 1.00 25.62 0.241 C +ATOM 850 O LYS A 281 -15.844 29.186 34.612 1.00 26.58 -0.271 OA +ATOM 851 CB LYS A 281 -16.366 26.727 36.497 1.00 27.55 0.035 C +ATOM 852 CG LYS A 281 -15.271 26.871 37.577 1.00 27.92 0.004 C +ATOM 853 CD LYS A 281 -15.827 26.843 39.012 1.00 30.90 0.027 C +ATOM 854 CE LYS A 281 -16.286 25.456 39.483 1.00 37.57 0.229 C +ATOM 855 NZ LYS A 281 -16.904 25.527 40.818 1.00 42.08 -0.079 N +ATOM 856 H LYS A 281 -14.837 25.027 35.429 1.00 25.10 0.163 HD +ATOM 857 HZ1 LYS A 281 -17.738 26.100 40.762 1.00 42.08 0.274 HD +ATOM 858 HZ2 LYS A 281 -17.157 24.599 41.123 1.00 42.08 0.274 HD +ATOM 859 HZ3 LYS A 281 -16.254 25.936 41.474 1.00 42.08 0.274 HD +ATOM 860 N PHE A 282 -13.838 28.143 34.662 1.00 24.40 -0.346 N +ATOM 861 CA PHE A 282 -12.980 29.296 34.383 1.00 24.07 0.180 C +ATOM 862 C PHE A 282 -12.502 29.319 32.918 1.00 23.51 0.241 C +ATOM 863 O PHE A 282 -11.777 30.241 32.546 1.00 24.10 -0.271 OA +ATOM 864 CB PHE A 282 -11.743 29.219 35.307 1.00 23.83 0.073 C +ATOM 865 CG PHE A 282 -12.089 29.194 36.785 1.00 26.04 -0.056 A +ATOM 866 CD1 PHE A 282 -12.690 30.312 37.399 1.00 27.11 0.007 A +ATOM 867 CD2 PHE A 282 -11.847 28.031 37.540 1.00 25.19 0.007 A +ATOM 868 CE1 PHE A 282 -13.057 30.260 38.759 1.00 27.13 0.001 A +ATOM 869 CE2 PHE A 282 -12.220 27.974 38.897 1.00 26.15 0.001 A +ATOM 870 CZ PHE A 282 -12.823 29.090 39.508 1.00 26.34 0.000 A +ATOM 871 H PHE A 282 -13.370 27.254 34.783 1.00 24.40 0.163 HD +ATOM 872 N VAL A 283 -12.902 28.339 32.087 1.00 22.53 -0.346 N +ATOM 873 CA VAL A 283 -12.576 28.254 30.662 1.00 21.62 0.180 C +ATOM 874 C VAL A 283 -13.754 28.875 29.867 1.00 22.20 0.243 C +ATOM 875 O VAL A 283 -14.871 28.366 29.978 1.00 22.23 -0.271 OA +ATOM 876 CB VAL A 283 -12.403 26.759 30.264 1.00 21.64 0.009 C +ATOM 877 CG1 VAL A 283 -12.063 26.583 28.772 1.00 20.68 0.012 C +ATOM 878 CG2 VAL A 283 -11.319 26.059 31.106 1.00 19.41 0.012 C +ATOM 879 H VAL A 283 -13.509 27.620 32.458 1.00 22.53 0.163 HD +ATOM 880 N PRO A 284 -13.535 29.952 29.073 1.00 21.89 -0.337 N +ATOM 881 CA PRO A 284 -14.526 30.588 28.178 1.00 23.28 0.179 C +ATOM 882 C PRO A 284 -15.222 29.633 27.190 1.00 24.05 0.241 C +ATOM 883 O PRO A 284 -14.635 28.642 26.763 1.00 23.58 -0.271 OA +ATOM 884 CB PRO A 284 -13.728 31.634 27.386 1.00 22.54 0.037 C +ATOM 885 CG PRO A 284 -12.588 32.008 28.310 1.00 22.36 0.022 C +ATOM 886 CD PRO A 284 -12.302 30.736 29.096 1.00 21.87 0.127 C +ATOM 887 N LYS A 285 -16.468 29.962 26.818 1.00 25.69 -0.346 N +ATOM 888 CA LYS A 285 -17.322 29.176 25.919 1.00 27.64 0.176 C +ATOM 889 C LYS A 285 -17.220 29.614 24.440 1.00 27.70 0.241 C +ATOM 890 O LYS A 285 -17.838 28.993 23.574 1.00 28.89 -0.271 OA +ATOM 891 CB LYS A 285 -18.781 29.358 26.387 1.00 29.05 0.035 C +ATOM 892 CG LYS A 285 -19.056 28.631 27.713 1.00 32.75 0.004 C +ATOM 893 CD LYS A 285 -20.509 28.789 28.184 1.00 38.98 0.027 C +ATOM 894 CE LYS A 285 -20.817 27.984 29.455 1.00 42.16 0.229 C +ATOM 895 NZ LYS A 285 -20.136 28.540 30.637 1.00 42.60 -0.079 N +ATOM 896 H LYS A 285 -16.873 30.799 27.212 1.00 25.69 0.163 HD +ATOM 897 HZ1 LYS A 285 -20.416 29.501 30.769 1.00 42.60 0.274 HD +ATOM 898 HZ2 LYS A 285 -20.385 28.003 31.455 1.00 42.60 0.274 HD +ATOM 899 HZ3 LYS A 285 -19.131 28.502 30.516 1.00 42.60 0.274 HD +ATOM 900 N SER A 286 -16.423 30.650 24.148 1.00 28.26 -0.344 N +ATOM 901 CA SER A 286 -16.151 31.210 22.824 1.00 28.41 0.200 C +ATOM 902 C SER A 286 -14.646 31.476 22.683 1.00 27.20 0.243 C +ATOM 903 O SER A 286 -13.876 31.067 23.552 1.00 28.25 -0.271 OA +ATOM 904 CB SER A 286 -17.083 32.419 22.581 1.00 29.23 0.199 C +ATOM 905 OG SER A 286 -16.725 33.535 23.374 1.00 31.61 -0.398 OA +ATOM 906 H SER A 286 -15.905 31.059 24.912 1.00 28.26 0.163 HD +ATOM 907 HG SER A 286 -16.855 33.312 24.283 1.00 31.61 0.209 HD +ATOM 908 N LYS A 287 -14.226 32.145 21.594 1.00 25.41 -0.346 N +ATOM 909 CA LYS A 287 -12.837 32.509 21.295 1.00 23.45 0.176 C +ATOM 910 C LYS A 287 -12.148 33.274 22.438 1.00 22.26 0.241 C +ATOM 911 O LYS A 287 -12.670 34.284 22.910 1.00 21.97 -0.271 OA +ATOM 912 CB LYS A 287 -12.769 33.305 19.975 1.00 23.99 0.035 C +ATOM 913 CG LYS A 287 -12.730 32.392 18.743 1.00 26.75 0.004 C +ATOM 914 CD LYS A 287 -12.545 33.146 17.423 1.00 32.11 0.027 C +ATOM 915 CE LYS A 287 -12.496 32.184 16.229 1.00 35.07 0.229 C +ATOM 916 NZ LYS A 287 -12.186 32.898 14.980 1.00 37.66 -0.079 N +ATOM 917 H LYS A 287 -14.921 32.419 20.913 1.00 25.41 0.163 HD +ATOM 918 HZ1 LYS A 287 -11.289 33.354 15.072 1.00 37.66 0.274 HD +ATOM 919 HZ2 LYS A 287 -12.148 32.237 14.216 1.00 37.66 0.274 HD +ATOM 920 HZ3 LYS A 287 -12.901 33.587 14.797 1.00 37.66 0.274 HD +ATOM 921 N PHE A 288 -10.986 32.773 22.880 1.00 19.96 -0.346 N +ATOM 922 CA PHE A 288 -10.241 33.265 24.034 1.00 19.79 0.180 C +ATOM 923 C PHE A 288 -8.735 33.217 23.805 1.00 19.09 0.241 C +ATOM 924 O PHE A 288 -8.245 32.361 23.076 1.00 17.86 -0.271 OA +ATOM 925 CB PHE A 288 -10.679 32.542 25.322 1.00 20.34 0.073 C +ATOM 926 CG PHE A 288 -10.237 31.091 25.482 1.00 20.54 -0.056 A +ATOM 927 CD1 PHE A 288 -10.908 30.060 24.791 1.00 20.86 0.007 A +ATOM 928 CD2 PHE A 288 -9.158 30.763 26.330 1.00 18.00 0.007 A +ATOM 929 CE1 PHE A 288 -10.522 28.717 24.954 1.00 18.76 0.001 A +ATOM 930 CE2 PHE A 288 -8.767 29.419 26.493 1.00 17.66 0.001 A +ATOM 931 CZ PHE A 288 -9.449 28.397 25.806 1.00 18.57 0.000 A +ATOM 932 H PHE A 288 -10.613 31.953 22.419 1.00 19.96 0.163 HD +ATOM 933 N ALA A 289 -8.004 34.115 24.477 1.00 19.07 -0.346 N +ATOM 934 CA ALA A 289 -6.552 34.106 24.537 1.00 19.23 0.172 C +ATOM 935 C ALA A 289 -6.143 33.503 25.885 1.00 18.91 0.240 C +ATOM 936 O ALA A 289 -6.332 34.136 26.920 1.00 18.75 -0.271 OA +ATOM 937 CB ALA A 289 -6.060 35.562 24.464 1.00 19.92 0.042 C +ATOM 938 H ALA A 289 -8.481 34.784 25.063 1.00 19.07 0.163 HD +ATOM 939 N PHE A 290 -5.545 32.302 25.878 1.00 16.37 -0.346 N +ATOM 940 CA PHE A 290 -4.763 31.796 27.007 1.00 16.86 0.180 C +ATOM 941 C PHE A 290 -3.348 32.366 26.843 1.00 15.94 0.241 C +ATOM 942 O PHE A 290 -2.818 32.370 25.737 1.00 16.72 -0.271 OA +ATOM 943 CB PHE A 290 -4.687 30.251 26.962 1.00 16.33 0.073 C +ATOM 944 CG PHE A 290 -3.782 29.646 28.029 1.00 16.00 -0.056 A +ATOM 945 CD1 PHE A 290 -4.154 29.702 29.387 1.00 17.31 0.007 A +ATOM 946 CD2 PHE A 290 -2.530 29.101 27.675 1.00 15.15 0.007 A +ATOM 947 CE1 PHE A 290 -3.265 29.260 30.384 1.00 17.92 0.001 A +ATOM 948 CE2 PHE A 290 -1.648 28.639 28.671 1.00 17.13 0.001 A +ATOM 949 CZ PHE A 290 -2.010 28.730 30.028 1.00 15.24 0.000 A +ATOM 950 H PHE A 290 -5.415 31.843 24.985 1.00 16.37 0.163 HD +ATOM 951 N SER A 291 -2.732 32.819 27.941 1.00 16.47 -0.344 N +ATOM 952 CA SER A 291 -1.353 33.289 27.973 1.00 16.17 0.200 C +ATOM 953 C SER A 291 -0.613 32.731 29.185 1.00 16.50 0.243 C +ATOM 954 O SER A 291 -1.226 32.330 30.173 1.00 16.03 -0.271 OA +ATOM 955 CB SER A 291 -1.256 34.811 27.749 1.00 17.88 0.199 C +ATOM 956 OG SER A 291 -1.578 35.554 28.903 1.00 22.87 -0.398 OA +ATOM 957 H SER A 291 -3.219 32.768 28.827 1.00 16.47 0.163 HD +ATOM 958 HG SER A 291 -0.905 35.408 29.553 1.00 22.87 0.209 HD +ATOM 959 N SER A 292 0.717 32.680 29.074 1.00 15.28 -0.344 N +ATOM 960 CA SER A 292 1.626 32.145 30.072 1.00 15.01 0.200 C +ATOM 961 C SER A 292 3.015 32.751 29.911 1.00 15.80 0.243 C +ATOM 962 O SER A 292 3.441 33.022 28.791 1.00 15.22 -0.271 OA +ATOM 963 CB SER A 292 1.612 30.600 30.047 1.00 14.97 0.199 C +ATOM 964 OG SER A 292 2.113 30.089 28.828 1.00 15.78 -0.398 OA +ATOM 965 H SER A 292 1.138 33.023 28.220 1.00 15.28 0.163 HD +ATOM 966 HG SER A 292 2.079 29.145 28.858 1.00 15.78 0.209 HD +ATOM 967 N GLU A 293 3.730 32.891 31.033 1.00 15.34 -0.346 N +ATOM 968 CA GLU A 293 5.167 33.099 31.086 1.00 16.46 0.177 C +ATOM 969 C GLU A 293 5.755 31.975 31.938 1.00 15.67 0.241 C +ATOM 970 O GLU A 293 5.348 31.789 33.087 1.00 15.66 -0.271 OA +ATOM 971 CB GLU A 293 5.515 34.508 31.604 1.00 17.74 0.045 C +ATOM 972 CG GLU A 293 7.035 34.767 31.628 1.00 22.71 0.116 C +ATOM 973 CD GLU A 293 7.384 36.187 32.062 1.00 27.43 0.172 C +ATOM 974 OE1 GLU A 293 7.314 37.086 31.197 1.00 29.03 -0.648 OA +ATOM 975 OE2 GLU A 293 7.739 36.341 33.250 1.00 28.46 -0.648 OA +ATOM 976 H GLU A 293 3.278 32.670 31.912 1.00 15.34 0.163 HD +ATOM 977 N VAL A 294 6.713 31.239 31.359 1.00 14.14 -0.346 N +ATOM 978 CA VAL A 294 7.430 30.138 31.989 1.00 14.16 0.180 C +ATOM 979 C VAL A 294 8.937 30.354 31.853 1.00 14.13 0.241 C +ATOM 980 O VAL A 294 9.395 30.961 30.885 1.00 13.81 -0.271 OA +ATOM 981 CB VAL A 294 6.967 28.754 31.453 1.00 14.42 0.009 C +ATOM 982 CG1 VAL A 294 5.461 28.521 31.646 1.00 15.68 0.012 C +ATOM 983 CG2 VAL A 294 7.378 28.474 29.994 1.00 12.06 0.012 C +ATOM 984 H VAL A 294 6.994 31.476 30.416 1.00 14.14 0.163 HD +ATOM 985 N ILE A 295 9.699 29.814 32.812 1.00 14.02 -0.346 N +ATOM 986 CA ILE A 295 11.155 29.770 32.783 1.00 14.67 0.180 C +ATOM 987 C ILE A 295 11.561 28.313 32.524 1.00 14.06 0.241 C +ATOM 988 O ILE A 295 11.068 27.383 33.168 1.00 14.56 -0.271 OA +ATOM 989 CB ILE A 295 11.756 30.317 34.107 1.00 14.84 0.013 C +ATOM 990 CG1 ILE A 295 11.177 31.715 34.443 1.00 15.45 0.002 C +ATOM 991 CG2 ILE A 295 13.295 30.356 34.041 1.00 15.07 0.012 C +ATOM 992 CD1 ILE A 295 11.836 32.442 35.624 1.00 18.94 0.005 C +ATOM 993 H ILE A 295 9.237 29.348 33.583 1.00 14.02 0.163 HD +ATOM 994 N ILE A 296 12.495 28.151 31.580 1.00 12.95 -0.346 N +ATOM 995 CA ILE A 296 13.151 26.912 31.184 1.00 12.32 0.180 C +ATOM 996 C ILE A 296 14.672 27.134 31.201 1.00 13.38 0.241 C +ATOM 997 O ILE A 296 15.139 28.271 31.291 1.00 14.50 -0.271 OA +ATOM 998 CB ILE A 296 12.567 26.376 29.847 1.00 11.01 0.013 C +ATOM 999 CG1 ILE A 296 12.908 27.279 28.635 1.00 11.85 0.002 C +ATOM 1000 CG2 ILE A 296 11.058 26.089 29.962 1.00 11.53 0.012 C +ATOM 1001 CD1 ILE A 296 12.376 26.770 27.292 1.00 11.60 0.005 C +ATOM 1002 H ILE A 296 12.829 28.988 31.117 1.00 12.95 0.163 HD +ATOM 1003 N HIS A 297 15.444 26.039 31.171 1.00 13.18 -0.346 N +ATOM 1004 CA HIS A 297 16.882 26.030 31.437 1.00 13.97 0.182 C +ATOM 1005 C HIS A 297 17.603 25.188 30.375 1.00 13.77 0.243 C +ATOM 1006 O HIS A 297 17.922 24.031 30.649 1.00 13.06 -0.271 OA +ATOM 1007 CB HIS A 297 17.134 25.568 32.890 1.00 14.87 0.095 C +ATOM 1008 CG HIS A 297 16.487 26.433 33.941 1.00 15.90 0.053 A +ATOM 1009 CD2 HIS A 297 17.020 27.506 34.619 1.00 16.86 0.116 A +ATOM 1010 ND1 HIS A 297 15.163 26.251 34.361 1.00 17.11 -0.247 NA +ATOM 1011 CE1 HIS A 297 14.947 27.226 35.231 1.00 19.04 0.207 A +ATOM 1012 NE2 HIS A 297 16.012 28.002 35.422 1.00 17.69 -0.359 N +ATOM 1013 H HIS A 297 14.995 25.141 31.067 1.00 13.18 0.163 HD +ATOM 1014 HE2 HIS A 297 16.074 28.809 36.032 1.00 0.00 0.166 HD +ATOM 1015 N PRO A 298 17.859 25.726 29.160 1.00 13.34 -0.337 N +ATOM 1016 CA PRO A 298 18.469 24.962 28.063 1.00 13.17 0.179 C +ATOM 1017 C PRO A 298 19.939 24.564 28.287 1.00 12.78 0.241 C +ATOM 1018 O PRO A 298 20.367 23.554 27.732 1.00 13.15 -0.271 OA +ATOM 1019 CB PRO A 298 18.279 25.836 26.814 1.00 13.03 0.037 C +ATOM 1020 CG PRO A 298 18.149 27.250 27.339 1.00 15.01 0.022 C +ATOM 1021 CD PRO A 298 17.536 27.090 28.731 1.00 13.52 0.127 C +ATOM 1022 N GLU A 299 20.688 25.294 29.132 1.00 13.11 -0.346 N +ATOM 1023 CA GLU A 299 22.076 24.992 29.497 1.00 14.68 0.177 C +ATOM 1024 C GLU A 299 22.219 23.631 30.214 1.00 14.72 0.241 C +ATOM 1025 O GLU A 299 23.182 22.911 29.956 1.00 17.06 -0.271 OA +ATOM 1026 CB GLU A 299 22.622 26.170 30.341 1.00 0.00 0.045 C +ATOM 1027 CG GLU A 299 24.157 26.236 30.510 1.00 0.00 0.116 C +ATOM 1028 CD GLU A 299 24.746 25.300 31.568 1.00 0.00 0.172 C +ATOM 1029 OE1 GLU A 299 24.194 25.270 32.690 1.00 0.00 -0.648 OA +ATOM 1030 OE2 GLU A 299 25.755 24.642 31.236 1.00 0.00 -0.648 OA +ATOM 1031 H GLU A 299 20.264 26.102 29.568 1.00 13.11 0.163 HD +ATOM 1032 N THR A 300 21.245 23.268 31.065 1.00 14.04 -0.344 N +ATOM 1033 CA THR A 300 21.222 22.032 31.853 1.00 15.44 0.205 C +ATOM 1034 C THR A 300 20.249 20.975 31.287 1.00 14.54 0.243 C +ATOM 1035 O THR A 300 20.034 19.952 31.938 1.00 15.97 -0.271 OA +ATOM 1036 CB THR A 300 20.866 22.378 33.321 1.00 14.91 0.146 C +ATOM 1037 CG2 THR A 300 21.887 23.305 33.993 1.00 18.81 0.042 C +ATOM 1038 OG1 THR A 300 19.574 22.950 33.413 1.00 18.83 -0.393 OA +ATOM 1039 H THR A 300 20.476 23.906 31.209 1.00 14.04 0.163 HD +ATOM 1040 HG1 THR A 300 19.451 23.286 34.291 1.00 18.83 0.210 HD +ATOM 1041 N ASN A 301 19.676 21.183 30.087 1.00 12.48 -0.345 N +ATOM 1042 CA ASN A 301 18.809 20.213 29.415 1.00 11.78 0.185 C +ATOM 1043 C ASN A 301 19.703 19.253 28.606 1.00 12.26 0.241 C +ATOM 1044 O ASN A 301 19.929 19.446 27.412 1.00 13.73 -0.271 OA +ATOM 1045 CB ASN A 301 17.838 20.975 28.480 1.00 12.07 0.137 C +ATOM 1046 CG ASN A 301 16.733 20.097 27.869 1.00 13.49 0.217 C +ATOM 1047 ND2 ASN A 301 15.694 20.727 27.332 1.00 14.21 -0.370 N +ATOM 1048 OD1 ASN A 301 16.798 18.869 27.872 1.00 14.41 -0.274 OA +ATOM 1049 H ASN A 301 19.902 22.033 29.589 1.00 12.48 0.163 HD +ATOM 1050 1HD2 ASN A 301 15.678 21.737 27.279 1.00 14.21 0.159 HD +ATOM 1051 2HD2 ASN A 301 14.968 20.185 26.878 1.00 14.21 0.159 HD +ATOM 1052 N TYR A 302 20.197 18.201 29.272 1.00 12.70 -0.346 N +ATOM 1053 CA TYR A 302 21.094 17.202 28.693 1.00 12.71 0.180 C +ATOM 1054 C TYR A 302 20.332 16.020 28.071 1.00 12.33 0.241 C +ATOM 1055 O TYR A 302 20.974 15.140 27.505 1.00 12.09 -0.271 OA +ATOM 1056 CB TYR A 302 21.982 16.644 29.820 1.00 14.49 0.073 C +ATOM 1057 CG TYR A 302 22.769 17.694 30.582 1.00 14.75 -0.056 A +ATOM 1058 CD1 TYR A 302 23.609 18.597 29.900 1.00 16.36 0.010 A +ATOM 1059 CD2 TYR A 302 22.634 17.787 31.981 1.00 19.22 0.010 A +ATOM 1060 CE1 TYR A 302 24.294 19.598 30.613 1.00 15.59 0.037 A +ATOM 1061 CE2 TYR A 302 23.321 18.784 32.696 1.00 19.33 0.037 A +ATOM 1062 CZ TYR A 302 24.151 19.691 32.011 1.00 16.46 0.065 A +ATOM 1063 OH TYR A 302 24.803 20.669 32.701 1.00 23.02 -0.361 OA +ATOM 1064 H TYR A 302 19.984 18.116 30.256 1.00 12.70 0.163 HD +ATOM 1065 HH TYR A 302 24.703 20.595 33.643 1.00 23.02 0.217 HD +ATOM 1066 N ALA A 303 18.988 15.989 28.146 1.00 11.88 -0.346 N +ATOM 1067 CA ALA A 303 18.152 14.975 27.495 1.00 11.70 0.172 C +ATOM 1068 C ALA A 303 17.930 15.291 26.010 1.00 11.43 0.240 C +ATOM 1069 O ALA A 303 17.573 14.395 25.246 1.00 12.01 -0.271 OA +ATOM 1070 CB ALA A 303 16.787 14.939 28.194 1.00 12.90 0.042 C +ATOM 1071 H ALA A 303 18.515 16.737 28.635 1.00 11.88 0.163 HD +ATOM 1072 N LEU A 304 18.176 16.551 25.608 1.00 10.38 -0.346 N +ATOM 1073 CA LEU A 304 18.240 17.052 24.236 1.00 10.55 0.177 C +ATOM 1074 C LEU A 304 16.849 17.069 23.570 1.00 10.86 0.241 C +ATOM 1075 O LEU A 304 16.717 16.801 22.377 1.00 10.99 -0.271 OA +ATOM 1076 CB LEU A 304 19.348 16.364 23.396 1.00 11.15 0.038 C +ATOM 1077 CG LEU A 304 20.711 16.128 24.090 1.00 9.74 -0.020 C +ATOM 1078 CD1 LEU A 304 21.684 15.452 23.123 1.00 9.26 0.009 C +ATOM 1079 CD2 LEU A 304 21.352 17.394 24.678 1.00 9.54 0.009 C +ATOM 1080 H LEU A 304 18.439 17.209 26.328 1.00 10.38 0.163 HD +ATOM 1081 N THR A 305 15.815 17.359 24.374 1.00 11.13 -0.344 N +ATOM 1082 CA THR A 305 14.397 17.398 24.028 1.00 12.16 0.205 C +ATOM 1083 C THR A 305 13.786 18.666 24.631 1.00 11.71 0.243 C +ATOM 1084 O THR A 305 14.058 18.999 25.783 1.00 12.10 -0.271 OA +ATOM 1085 CB THR A 305 13.687 16.103 24.480 1.00 14.26 0.146 C +ATOM 1086 CG2 THR A 305 14.170 14.840 23.754 1.00 17.51 0.042 C +ATOM 1087 OG1 THR A 305 13.813 15.923 25.878 1.00 18.88 -0.393 OA +ATOM 1088 H THR A 305 16.031 17.550 25.343 1.00 11.13 0.163 HD +ATOM 1089 HG1 THR A 305 13.544 16.718 26.318 1.00 18.88 0.210 HD +ATOM 1090 N GLY A 306 12.974 19.383 23.845 1.00 10.98 -0.350 N +ATOM 1091 CA GLY A 306 12.626 20.777 24.091 1.00 11.16 0.225 C +ATOM 1092 C GLY A 306 13.772 21.680 23.643 1.00 11.34 0.236 C +ATOM 1093 O GLY A 306 14.498 21.321 22.720 1.00 11.16 -0.272 OA +ATOM 1094 H GLY A 306 12.782 19.034 22.914 1.00 10.98 0.163 HD +ATOM 1095 N LEU A 307 13.935 22.841 24.290 1.00 11.17 -0.346 N +ATOM 1096 CA LEU A 307 15.013 23.788 24.017 1.00 10.40 0.177 C +ATOM 1097 C LEU A 307 16.238 23.389 24.852 1.00 11.61 0.241 C +ATOM 1098 O LEU A 307 16.132 23.219 26.064 1.00 12.25 -0.271 OA +ATOM 1099 CB LEU A 307 14.539 25.193 24.451 1.00 11.44 0.038 C +ATOM 1100 CG LEU A 307 15.432 26.347 23.947 1.00 10.21 -0.020 C +ATOM 1101 CD1 LEU A 307 15.291 26.546 22.431 1.00 11.29 0.009 C +ATOM 1102 CD2 LEU A 307 15.105 27.651 24.683 1.00 9.84 0.009 C +ATOM 1103 H LEU A 307 13.327 23.044 25.072 1.00 11.17 0.163 HD +ATOM 1104 N TYR A 308 17.403 23.256 24.207 1.00 10.95 -0.346 N +ATOM 1105 CA TYR A 308 18.660 22.837 24.818 1.00 11.25 0.180 C +ATOM 1106 C TYR A 308 19.869 23.526 24.183 1.00 12.32 0.241 C +ATOM 1107 O TYR A 308 19.793 24.011 23.058 1.00 13.81 -0.271 OA +ATOM 1108 CB TYR A 308 18.769 21.304 24.856 1.00 10.72 0.073 C +ATOM 1109 CG TYR A 308 19.019 20.640 23.518 1.00 10.72 -0.056 A +ATOM 1110 CD1 TYR A 308 17.943 20.360 22.652 1.00 10.17 0.010 A +ATOM 1111 CD2 TYR A 308 20.331 20.294 23.144 1.00 12.84 0.010 A +ATOM 1112 CE1 TYR A 308 18.179 19.723 21.420 1.00 9.65 0.037 A +ATOM 1113 CE2 TYR A 308 20.566 19.650 21.918 1.00 11.24 0.037 A +ATOM 1114 CZ TYR A 308 19.490 19.360 21.060 1.00 10.43 0.065 A +ATOM 1115 OH TYR A 308 19.721 18.723 19.882 1.00 11.13 -0.361 OA +ATOM 1116 H TYR A 308 17.422 23.413 23.205 1.00 10.95 0.163 HD +ATOM 1117 HH TYR A 308 20.642 18.539 19.744 1.00 11.13 0.217 HD +ATOM 1118 N LYS A 309 20.996 23.538 24.904 1.00 12.98 -0.346 N +ATOM 1119 CA LYS A 309 22.271 24.061 24.438 1.00 13.76 0.176 C +ATOM 1120 C LYS A 309 23.149 22.891 23.974 1.00 13.74 0.241 C +ATOM 1121 O LYS A 309 23.329 21.909 24.694 1.00 14.17 -0.271 OA +ATOM 1122 CB LYS A 309 22.947 24.788 25.615 1.00 14.69 0.035 C +ATOM 1123 CG LYS A 309 24.037 25.774 25.170 1.00 19.17 0.004 C +ATOM 1124 CD LYS A 309 24.742 26.410 26.373 1.00 25.06 0.027 C +ATOM 1125 CE LYS A 309 25.624 27.599 25.983 1.00 28.79 0.229 C +ATOM 1126 NZ LYS A 309 26.453 28.034 27.117 1.00 35.69 -0.079 N +ATOM 1127 H LYS A 309 20.974 23.141 25.834 1.00 12.98 0.163 HD +ATOM 1128 HZ1 LYS A 309 27.026 28.817 26.840 1.00 35.69 0.274 HD +ATOM 1129 HZ2 LYS A 309 25.856 28.306 27.886 1.00 35.69 0.274 HD +ATOM 1130 HZ3 LYS A 309 27.045 27.270 27.410 1.00 35.69 0.274 HD +ATOM 1131 N SER A 310 23.704 23.027 22.765 1.00 12.51 -0.344 N +ATOM 1132 CA SER A 310 24.663 22.131 22.142 1.00 12.83 0.200 C +ATOM 1133 C SER A 310 25.923 22.958 21.859 1.00 13.76 0.243 C +ATOM 1134 O SER A 310 25.960 23.726 20.897 1.00 14.29 -0.271 OA +ATOM 1135 CB SER A 310 24.020 21.534 20.875 1.00 12.20 0.199 C +ATOM 1136 OG SER A 310 24.927 20.677 20.221 1.00 12.43 -0.398 OA +ATOM 1137 H SER A 310 23.479 23.866 22.242 1.00 12.51 0.163 HD +ATOM 1138 HG SER A 310 25.283 20.079 20.871 1.00 12.43 0.209 HD +ATOM 1139 N LYS A 311 26.918 22.844 22.753 1.00 15.72 -0.346 N +ATOM 1140 CA LYS A 311 28.163 23.614 22.809 1.00 17.03 0.176 C +ATOM 1141 C LYS A 311 27.873 25.092 23.093 1.00 18.57 0.241 C +ATOM 1142 O LYS A 311 27.675 25.453 24.252 1.00 19.77 -0.271 OA +ATOM 1143 CB LYS A 311 29.111 23.369 21.609 1.00 17.65 0.035 C +ATOM 1144 CG LYS A 311 29.629 21.926 21.563 1.00 22.23 0.004 C +ATOM 1145 CD LYS A 311 30.982 21.729 20.865 1.00 24.29 0.027 C +ATOM 1146 CE LYS A 311 30.995 22.212 19.414 1.00 19.36 0.229 C +ATOM 1147 NZ LYS A 311 32.140 21.667 18.672 1.00 15.24 -0.079 N +ATOM 1148 H LYS A 311 26.779 22.186 23.509 1.00 15.72 0.163 HD +ATOM 1149 HZ1 LYS A 311 32.102 20.653 18.659 1.00 15.24 0.274 HD +ATOM 1150 HZ2 LYS A 311 32.073 22.008 17.717 1.00 15.24 0.274 HD +ATOM 1151 HZ3 LYS A 311 33.009 21.983 19.078 1.00 15.24 0.274 HD +ATOM 1152 N ASN A 312 27.820 25.926 22.041 1.00 17.92 -0.346 N +ATOM 1153 CA ASN A 312 27.508 27.356 22.102 1.00 19.62 0.185 C +ATOM 1154 C ASN A 312 26.242 27.712 21.303 1.00 19.07 0.241 C +ATOM 1155 O ASN A 312 25.893 28.890 21.237 1.00 19.94 -0.271 OA +ATOM 1156 CB ASN A 312 28.723 28.204 21.645 1.00 20.47 0.137 C +ATOM 1157 CG ASN A 312 30.001 27.964 22.453 1.00 23.20 0.217 C +ATOM 1158 ND2 ASN A 312 29.967 28.250 23.756 1.00 25.77 -0.370 N +ATOM 1159 OD1 ASN A 312 31.019 27.553 21.901 1.00 26.43 -0.274 OA +ATOM 1160 H ASN A 312 27.997 25.540 21.123 1.00 17.92 0.163 HD +ATOM 1161 1HD2 ASN A 312 29.120 28.603 24.175 1.00 25.77 0.159 HD +ATOM 1162 2HD2 ASN A 312 30.799 28.117 24.312 1.00 25.77 0.159 HD +ATOM 1163 N ILE A 313 25.547 26.725 20.713 1.00 17.53 -0.346 N +ATOM 1164 CA ILE A 313 24.317 26.907 19.942 1.00 17.21 0.180 C +ATOM 1165 C ILE A 313 23.145 26.432 20.817 1.00 16.05 0.241 C +ATOM 1166 O ILE A 313 23.105 25.274 21.224 1.00 15.99 -0.271 OA +ATOM 1167 CB ILE A 313 24.393 26.066 18.629 1.00 16.95 0.013 C +ATOM 1168 CG1 ILE A 313 25.578 26.501 17.731 1.00 19.20 0.002 C +ATOM 1169 CG2 ILE A 313 23.077 26.136 17.819 1.00 16.62 0.012 C +ATOM 1170 CD1 ILE A 313 25.961 25.468 16.660 1.00 19.08 0.005 C +ATOM 1171 H ILE A 313 25.874 25.774 20.826 1.00 17.53 0.163 HD +ATOM 1172 N ILE A 314 22.159 27.312 21.045 1.00 14.16 -0.346 N +ATOM 1173 CA ILE A 314 20.832 26.974 21.562 1.00 13.68 0.180 C +ATOM 1174 C ILE A 314 20.011 26.454 20.370 1.00 12.13 0.241 C +ATOM 1175 O ILE A 314 20.018 27.048 19.293 1.00 11.99 -0.271 OA +ATOM 1176 CB ILE A 314 20.177 28.238 22.186 1.00 15.14 0.013 C +ATOM 1177 CG1 ILE A 314 20.954 28.751 23.421 1.00 18.16 0.002 C +ATOM 1178 CG2 ILE A 314 18.676 28.071 22.514 1.00 16.88 0.012 C +ATOM 1179 CD1 ILE A 314 20.804 27.897 24.688 1.00 24.15 0.005 C +ATOM 1180 H ILE A 314 22.257 28.235 20.642 1.00 14.16 0.163 HD +ATOM 1181 N VAL A 315 19.340 25.318 20.571 1.00 11.00 -0.346 N +ATOM 1182 CA VAL A 315 18.647 24.532 19.559 1.00 10.99 0.180 C +ATOM 1183 C VAL A 315 17.461 23.808 20.206 1.00 11.14 0.241 C +ATOM 1184 O VAL A 315 17.521 23.438 21.376 1.00 10.79 -0.271 OA +ATOM 1185 CB VAL A 315 19.661 23.617 18.820 1.00 11.93 0.009 C +ATOM 1186 CG1 VAL A 315 20.417 22.659 19.763 1.00 12.78 0.012 C +ATOM 1187 CG2 VAL A 315 19.026 22.839 17.660 1.00 13.36 0.012 C +ATOM 1188 H VAL A 315 19.393 24.896 21.491 1.00 11.00 0.163 HD +ATOM 1189 N SER A 316 16.389 23.589 19.439 1.00 10.52 -0.344 N +ATOM 1190 CA SER A 316 15.193 22.878 19.880 1.00 9.99 0.200 C +ATOM 1191 C SER A 316 15.083 21.502 19.204 1.00 10.34 0.243 C +ATOM 1192 O SER A 316 15.576 21.307 18.094 1.00 10.26 -0.271 OA +ATOM 1193 CB SER A 316 13.969 23.758 19.586 1.00 10.08 0.199 C +ATOM 1194 OG SER A 316 13.832 23.959 18.200 1.00 10.38 -0.398 OA +ATOM 1195 H SER A 316 16.423 23.896 18.478 1.00 10.52 0.163 HD +ATOM 1196 HG SER A 316 14.638 24.341 17.883 1.00 10.38 0.209 HD +ATOM 1197 N GLN A 317 14.385 20.577 19.878 1.00 10.20 -0.346 N +ATOM 1198 CA GLN A 317 13.942 19.282 19.375 1.00 10.20 0.177 C +ATOM 1199 C GLN A 317 12.572 18.972 19.984 1.00 10.23 0.241 C +ATOM 1200 O GLN A 317 12.480 18.603 21.153 1.00 9.83 -0.271 OA +ATOM 1201 CB GLN A 317 15.013 18.194 19.603 1.00 9.67 0.044 C +ATOM 1202 CG GLN A 317 14.567 16.760 19.238 1.00 12.34 0.105 C +ATOM 1203 CD GLN A 317 14.197 16.594 17.760 1.00 13.95 0.215 C +ATOM 1204 NE2 GLN A 317 13.142 15.833 17.465 1.00 15.20 -0.370 N +ATOM 1205 OE1 GLN A 317 14.846 17.163 16.888 1.00 14.26 -0.274 OA +ATOM 1206 H GLN A 317 14.064 20.827 20.804 1.00 10.20 0.163 HD +ATOM 1207 1HE2 GLN A 317 12.613 15.377 18.198 1.00 15.20 0.159 HD +ATOM 1208 2HE2 GLN A 317 12.876 15.713 16.498 1.00 15.20 0.159 HD +ATOM 1209 N CYS A 318 11.512 19.142 19.188 1.00 10.46 -0.345 N +ATOM 1210 CA CYS A 318 10.122 19.096 19.622 1.00 9.69 0.185 C +ATOM 1211 C CYS A 318 9.400 17.793 19.258 1.00 10.56 0.241 C +ATOM 1212 O CYS A 318 8.393 17.498 19.896 1.00 10.74 -0.271 OA +ATOM 1213 CB CYS A 318 9.369 20.283 18.998 1.00 11.09 0.105 C +ATOM 1214 SG CYS A 318 9.897 21.789 19.848 1.00 12.63 -0.180 SA +ATOM 1215 H CYS A 318 11.681 19.421 18.231 1.00 10.46 0.163 HD +ATOM 1216 HG CYS A 318 9.527 21.394 21.070 1.00 12.63 0.101 HD +ATOM 1217 N GLU A 319 9.876 16.994 18.287 1.00 9.35 -0.346 N +ATOM 1218 CA GLU A 319 9.248 15.713 17.964 1.00 10.36 0.177 C +ATOM 1219 C GLU A 319 9.768 14.622 18.923 1.00 10.95 0.241 C +ATOM 1220 O GLU A 319 10.974 14.544 19.152 1.00 12.95 -0.271 OA +ATOM 1221 CB GLU A 319 9.543 15.316 16.502 1.00 10.48 0.045 C +ATOM 1222 CG GLU A 319 8.722 14.075 16.089 1.00 11.29 0.116 C +ATOM 1223 CD GLU A 319 8.772 13.654 14.630 1.00 12.09 0.172 C +ATOM 1224 OE1 GLU A 319 9.458 14.315 13.832 1.00 13.49 -0.648 OA +ATOM 1225 OE2 GLU A 319 8.097 12.651 14.319 1.00 13.08 -0.648 OA +ATOM 1226 H GLU A 319 10.699 17.272 17.769 1.00 9.35 0.163 HD +ATOM 1227 N ALA A 320 8.904 13.756 19.481 1.00 12.05 -0.346 N +ATOM 1228 CA ALA A 320 7.446 13.706 19.319 1.00 13.75 0.172 C +ATOM 1229 C ALA A 320 6.723 14.648 20.290 1.00 15.08 0.240 C +ATOM 1230 O ALA A 320 5.728 15.259 19.911 1.00 16.55 -0.271 OA +ATOM 1231 CB ALA A 320 6.983 12.284 19.654 1.00 14.93 0.042 C +ATOM 1232 H ALA A 320 9.298 13.076 20.116 1.00 12.05 0.163 HD +ATOM 1233 N THR A 321 7.222 14.750 21.530 1.00 15.55 -0.344 N +ATOM 1234 CA THR A 321 6.559 15.353 22.685 1.00 17.23 0.205 C +ATOM 1235 C THR A 321 7.500 16.315 23.427 1.00 15.88 0.243 C +ATOM 1236 O THR A 321 7.533 16.321 24.656 1.00 16.34 -0.271 OA +ATOM 1237 CB THR A 321 5.926 14.246 23.574 1.00 18.94 0.146 C +ATOM 1238 CG2 THR A 321 4.899 13.352 22.865 1.00 21.80 0.042 C +ATOM 1239 OG1 THR A 321 6.914 13.430 24.178 1.00 24.11 -0.393 OA +ATOM 1240 H THR A 321 8.069 14.231 21.727 1.00 15.55 0.163 HD +ATOM 1241 HG1 THR A 321 7.407 13.970 24.778 1.00 24.11 0.210 HD +ATOM 1242 N GLY A 322 8.287 17.108 22.686 1.00 13.11 -0.350 N +ATOM 1243 CA GLY A 322 9.257 18.056 23.217 1.00 12.22 0.225 C +ATOM 1244 C GLY A 322 8.782 19.513 23.244 1.00 11.55 0.236 C +ATOM 1245 O GLY A 322 9.414 20.310 23.931 1.00 11.35 -0.272 OA +ATOM 1246 H GLY A 322 8.226 17.034 21.678 1.00 13.11 0.163 HD +ATOM 1247 N PHE A 323 7.697 19.896 22.541 1.00 11.09 -0.346 N +ATOM 1248 CA PHE A 323 7.194 21.280 22.558 1.00 10.57 0.180 C +ATOM 1249 C PHE A 323 6.552 21.647 23.911 1.00 11.14 0.241 C +ATOM 1250 O PHE A 323 6.644 22.804 24.322 1.00 11.72 -0.271 OA +ATOM 1251 CB PHE A 323 6.177 21.511 21.425 1.00 11.18 0.073 C +ATOM 1252 CG PHE A 323 5.777 22.969 21.253 1.00 11.20 -0.056 A +ATOM 1253 CD1 PHE A 323 6.621 23.861 20.560 1.00 12.29 0.007 A +ATOM 1254 CD2 PHE A 323 4.578 23.449 21.819 1.00 10.72 0.007 A +ATOM 1255 CE1 PHE A 323 6.274 25.221 20.444 1.00 14.01 0.001 A +ATOM 1256 CE2 PHE A 323 4.233 24.809 21.701 1.00 10.66 0.001 A +ATOM 1257 CZ PHE A 323 5.079 25.696 21.011 1.00 13.07 0.000 A +ATOM 1258 H PHE A 323 7.191 19.214 21.994 1.00 11.09 0.163 HD +ATOM 1259 N ARG A 324 5.977 20.663 24.629 1.00 9.29 -0.346 N +ATOM 1260 CA ARG A 324 5.509 20.783 26.014 1.00 10.43 0.176 C +ATOM 1261 C ARG A 324 6.631 21.128 27.014 1.00 10.70 0.241 C +ATOM 1262 O ARG A 324 6.346 21.650 28.088 1.00 11.99 -0.271 OA +ATOM 1263 CB ARG A 324 4.783 19.494 26.444 1.00 9.96 0.036 C +ATOM 1264 CG ARG A 324 5.655 18.228 26.461 1.00 9.00 0.023 C +ATOM 1265 CD ARG A 324 4.858 16.950 26.746 1.00 11.53 0.138 C +ATOM 1266 NE ARG A 324 4.001 16.589 25.613 1.00 13.16 -0.227 N +ATOM 1267 CZ ARG A 324 3.190 15.521 25.556 1.00 16.15 0.665 C +ATOM 1268 NH1 ARG A 324 3.103 14.654 26.571 1.00 18.23 -0.235 N +ATOM 1269 NH2 ARG A 324 2.450 15.300 24.467 1.00 15.60 -0.235 N +ATOM 1270 H ARG A 324 5.893 19.752 24.197 1.00 9.29 0.163 HD +ATOM 1271 HE ARG A 324 4.073 17.198 24.800 1.00 13.16 0.177 HD +ATOM 1272 HH11 ARG A 324 3.629 14.806 27.419 1.00 18.23 0.174 HD +ATOM 1273 HH12 ARG A 324 2.479 13.863 26.510 1.00 18.23 0.174 HD +ATOM 1274 HH21 ARG A 324 2.451 15.949 23.690 1.00 15.60 0.174 HD +ATOM 1275 HH22 ARG A 324 1.826 14.504 24.442 1.00 15.60 0.174 HD +ATOM 1276 N ARG A 325 7.902 20.868 26.666 1.00 10.27 -0.346 N +ATOM 1277 CA ARG A 325 9.062 21.227 27.477 1.00 10.47 0.176 C +ATOM 1278 C ARG A 325 9.541 22.668 27.214 1.00 9.27 0.241 C +ATOM 1279 O ARG A 325 10.397 23.149 27.953 1.00 10.04 -0.271 OA +ATOM 1280 CB ARG A 325 10.222 20.260 27.175 1.00 10.66 0.036 C +ATOM 1281 CG ARG A 325 9.917 18.797 27.529 1.00 12.55 0.023 C +ATOM 1282 CD ARG A 325 11.120 17.893 27.249 1.00 15.56 0.138 C +ATOM 1283 NE ARG A 325 10.890 16.525 27.727 1.00 22.99 -0.227 N +ATOM 1284 CZ ARG A 325 11.162 16.045 28.952 1.00 27.85 0.665 C +ATOM 1285 NH1 ARG A 325 11.675 16.825 29.914 1.00 31.22 -0.235 N +ATOM 1286 NH2 ARG A 325 10.915 14.756 29.217 1.00 29.21 -0.235 N +ATOM 1287 H ARG A 325 8.078 20.451 25.762 1.00 10.27 0.163 HD +ATOM 1288 HE ARG A 325 10.463 15.899 27.055 1.00 22.99 0.177 HD +ATOM 1289 HH11 ARG A 325 11.904 17.787 29.709 1.00 31.22 0.174 HD +ATOM 1290 HH12 ARG A 325 11.921 16.438 30.814 1.00 31.22 0.174 HD +ATOM 1291 HH21 ARG A 325 10.521 14.158 28.505 1.00 29.21 0.174 HD +ATOM 1292 HH22 ARG A 325 11.142 14.363 30.119 1.00 29.21 0.174 HD +ATOM 1293 N ILE A 326 8.983 23.374 26.217 1.00 10.21 -0.346 N +ATOM 1294 CA ILE A 326 9.289 24.777 25.928 1.00 10.18 0.180 C +ATOM 1295 C ILE A 326 8.177 25.669 26.513 1.00 11.10 0.241 C +ATOM 1296 O ILE A 326 8.481 26.670 27.162 1.00 11.91 -0.271 OA +ATOM 1297 CB ILE A 326 9.445 24.979 24.390 1.00 9.31 0.013 C +ATOM 1298 CG1 ILE A 326 10.554 24.046 23.839 1.00 9.84 0.002 C +ATOM 1299 CG2 ILE A 326 9.727 26.455 24.019 1.00 11.63 0.012 C +ATOM 1300 CD1 ILE A 326 10.866 24.202 22.345 1.00 11.09 0.005 C +ATOM 1301 H ILE A 326 8.271 22.931 25.651 1.00 10.21 0.163 HD +ATOM 1302 N THR A 327 6.903 25.305 26.293 1.00 10.48 -0.344 N +ATOM 1303 CA THR A 327 5.715 26.046 26.718 1.00 11.68 0.205 C +ATOM 1304 C THR A 327 4.502 25.105 26.819 1.00 11.27 0.243 C +ATOM 1305 O THR A 327 4.554 23.973 26.343 1.00 11.64 -0.271 OA +ATOM 1306 CB THR A 327 5.506 27.280 25.800 1.00 12.70 0.146 C +ATOM 1307 CG2 THR A 327 5.112 26.922 24.358 1.00 13.64 0.042 C +ATOM 1308 OG1 THR A 327 4.510 28.139 26.314 1.00 12.96 -0.393 OA +ATOM 1309 H THR A 327 6.733 24.457 25.769 1.00 10.48 0.163 HD +ATOM 1310 HG1 THR A 327 4.873 28.631 27.041 1.00 12.96 0.210 HD +ATOM 1311 N PHE A 328 3.397 25.584 27.411 1.00 12.88 -0.346 N +ATOM 1312 CA PHE A 328 2.126 24.866 27.518 1.00 12.22 0.180 C +ATOM 1313 C PHE A 328 1.461 24.703 26.148 1.00 12.00 0.241 C +ATOM 1314 O PHE A 328 1.374 25.653 25.375 1.00 12.89 -0.271 OA +ATOM 1315 CB PHE A 328 1.178 25.654 28.439 1.00 12.18 0.073 C +ATOM 1316 CG PHE A 328 1.616 25.623 29.885 1.00 12.69 -0.056 A +ATOM 1317 CD1 PHE A 328 1.634 24.396 30.575 1.00 14.22 0.007 A +ATOM 1318 CD2 PHE A 328 2.042 26.800 30.531 1.00 13.38 0.007 A +ATOM 1319 CE1 PHE A 328 2.114 24.345 31.893 1.00 16.05 0.001 A +ATOM 1320 CE2 PHE A 328 2.506 26.748 31.858 1.00 15.45 0.001 A +ATOM 1321 CZ PHE A 328 2.561 25.514 32.533 1.00 15.22 0.000 A +ATOM 1322 H PHE A 328 3.423 26.530 27.764 1.00 12.88 0.163 HD +ATOM 1323 N PHE A 329 0.993 23.491 25.840 1.00 11.18 -0.346 N +ATOM 1324 CA PHE A 329 0.330 23.185 24.579 1.00 10.95 0.180 C +ATOM 1325 C PHE A 329 -0.477 21.902 24.714 1.00 11.25 0.241 C +ATOM 1326 O PHE A 329 -0.126 21.041 25.513 1.00 12.03 -0.271 OA +ATOM 1327 CB PHE A 329 1.361 23.102 23.433 1.00 11.24 0.073 C +ATOM 1328 CG PHE A 329 0.819 23.564 22.097 1.00 12.58 -0.056 A +ATOM 1329 CD1 PHE A 329 0.696 24.944 21.852 1.00 13.02 0.007 A +ATOM 1330 CD2 PHE A 329 0.434 22.640 21.105 1.00 10.45 0.007 A +ATOM 1331 CE1 PHE A 329 0.208 25.396 20.617 1.00 12.55 0.001 A +ATOM 1332 CE2 PHE A 329 -0.092 23.096 19.880 1.00 13.52 0.001 A +ATOM 1333 CZ PHE A 329 -0.199 24.477 19.633 1.00 11.85 0.000 A +ATOM 1334 H PHE A 329 1.117 22.731 26.497 1.00 11.18 0.163 HD +ATOM 1335 N ILE A 330 -1.514 21.735 23.884 1.00 10.72 -0.346 N +ATOM 1336 CA ILE A 330 -2.166 20.446 23.664 1.00 11.67 0.180 C +ATOM 1337 C ILE A 330 -1.294 19.773 22.582 1.00 10.97 0.241 C +ATOM 1338 O ILE A 330 -1.521 19.937 21.382 1.00 11.48 -0.271 OA +ATOM 1339 CB ILE A 330 -3.642 20.689 23.235 1.00 11.72 0.013 C +ATOM 1340 CG1 ILE A 330 -4.411 21.481 24.328 1.00 14.47 0.002 C +ATOM 1341 CG2 ILE A 330 -4.372 19.363 22.944 1.00 13.74 0.012 C +ATOM 1342 CD1 ILE A 330 -5.831 21.924 23.951 1.00 13.33 0.005 C +ATOM 1343 H ILE A 330 -1.750 22.484 23.249 1.00 10.72 0.163 HD +ATOM 1344 N ASP A 331 -0.216 19.115 23.042 1.00 11.04 -0.345 N +ATOM 1345 CA ASP A 331 0.944 18.696 22.261 1.00 11.45 0.186 C +ATOM 1346 C ASP A 331 0.651 17.337 21.605 1.00 12.08 0.241 C +ATOM 1347 O ASP A 331 0.933 16.279 22.164 1.00 12.75 -0.271 OA +ATOM 1348 CB ASP A 331 2.168 18.666 23.222 1.00 12.48 0.147 C +ATOM 1349 CG ASP A 331 3.522 18.261 22.618 1.00 11.92 0.175 C +ATOM 1350 OD1 ASP A 331 3.576 17.941 21.414 1.00 11.86 -0.648 OA +ATOM 1351 OD2 ASP A 331 4.508 18.269 23.384 1.00 10.67 -0.648 OA +ATOM 1352 H ASP A 331 -0.144 18.990 24.045 1.00 11.04 0.163 HD +ATOM 1353 N ARG A 332 0.059 17.408 20.407 1.00 12.44 -0.346 N +ATOM 1354 CA ARG A 332 -0.389 16.299 19.570 1.00 12.60 0.176 C +ATOM 1355 C ARG A 332 -0.552 16.809 18.124 1.00 12.86 0.243 C +ATOM 1356 O ARG A 332 -0.940 17.966 17.949 1.00 12.23 -0.271 OA +ATOM 1357 CB ARG A 332 -1.640 15.629 20.177 1.00 13.67 0.036 C +ATOM 1358 CG ARG A 332 -2.739 16.602 20.627 1.00 15.19 0.023 C +ATOM 1359 CD ARG A 332 -3.936 15.897 21.266 1.00 16.28 0.138 C +ATOM 1360 NE ARG A 332 -4.906 15.464 20.260 1.00 16.70 -0.227 N +ATOM 1361 CZ ARG A 332 -6.074 14.867 20.532 1.00 18.56 0.665 C +ATOM 1362 NH1 ARG A 332 -6.460 14.638 21.795 1.00 22.68 -0.235 N +ATOM 1363 NH2 ARG A 332 -6.863 14.495 19.523 1.00 20.83 -0.235 N +ATOM 1364 H ARG A 332 -0.155 18.331 20.056 1.00 12.44 0.163 HD +ATOM 1365 HE ARG A 332 -4.657 15.638 19.286 1.00 16.70 0.177 HD +ATOM 1366 HH11 ARG A 332 -5.873 14.935 22.560 1.00 22.68 0.174 HD +ATOM 1367 HH12 ARG A 332 -7.349 14.196 21.999 1.00 22.68 0.174 HD +ATOM 1368 HH21 ARG A 332 -6.593 14.713 18.564 1.00 20.83 0.174 HD +ATOM 1369 HH22 ARG A 332 -7.732 14.001 19.696 1.00 20.83 0.174 HD +ATOM 1370 N PRO A 333 -0.237 16.006 17.082 1.00 12.56 -0.337 N +ATOM 1371 CA PRO A 333 -0.014 16.498 15.710 1.00 12.97 0.179 C +ATOM 1372 C PRO A 333 -1.269 16.909 14.915 1.00 13.27 0.241 C +ATOM 1373 O PRO A 333 -1.128 17.446 13.817 1.00 15.17 -0.271 OA +ATOM 1374 CB PRO A 333 0.747 15.356 15.018 1.00 12.13 0.037 C +ATOM 1375 CG PRO A 333 0.263 14.103 15.724 1.00 12.16 0.022 C +ATOM 1376 CD PRO A 333 0.018 14.567 17.160 1.00 13.28 0.127 C +ATOM 1377 N ASP A 334 -2.477 16.714 15.464 1.00 13.43 -0.346 N +ATOM 1378 CA ASP A 334 -3.742 17.185 14.893 1.00 14.37 0.186 C +ATOM 1379 C ASP A 334 -4.139 18.585 15.393 1.00 15.14 0.241 C +ATOM 1380 O ASP A 334 -5.119 19.132 14.888 1.00 14.77 -0.271 OA +ATOM 1381 CB ASP A 334 -4.886 16.202 15.242 1.00 15.30 0.147 C +ATOM 1382 CG ASP A 334 -5.142 15.896 16.724 1.00 17.00 0.175 C +ATOM 1383 OD1 ASP A 334 -4.280 16.191 17.581 1.00 19.41 -0.648 OA +ATOM 1384 OD2 ASP A 334 -6.244 15.373 16.986 1.00 16.92 -0.648 OA +ATOM 1385 H ASP A 334 -2.537 16.271 16.372 1.00 13.43 0.163 HD +ATOM 1386 N MET A 335 -3.397 19.181 16.341 1.00 15.14 -0.346 N +ATOM 1387 CA MET A 335 -3.626 20.543 16.814 1.00 15.42 0.177 C +ATOM 1388 C MET A 335 -2.788 21.486 15.946 1.00 15.90 0.241 C +ATOM 1389 O MET A 335 -1.660 21.836 16.278 1.00 16.42 -0.271 OA +ATOM 1390 CB MET A 335 -3.221 20.643 18.297 1.00 15.65 0.045 C +ATOM 1391 CG MET A 335 -4.169 19.842 19.201 1.00 15.79 0.076 C +ATOM 1392 SD MET A 335 -5.905 20.359 19.222 1.00 22.37 -0.173 SA +ATOM 1393 CE MET A 335 -5.762 21.977 20.013 1.00 20.21 0.089 C +ATOM 1394 H MET A 335 -2.611 18.675 16.724 1.00 15.14 0.163 HD +ATOM 1395 N MET A 336 -3.368 21.858 14.799 1.00 15.72 -0.346 N +ATOM 1396 CA MET A 336 -2.754 22.651 13.746 1.00 16.31 0.177 C +ATOM 1397 C MET A 336 -2.966 24.139 14.058 1.00 15.62 0.241 C +ATOM 1398 O MET A 336 -4.098 24.559 14.303 1.00 16.24 -0.271 OA +ATOM 1399 CB MET A 336 -3.486 22.299 12.433 1.00 17.26 0.045 C +ATOM 1400 CG MET A 336 -3.296 20.835 11.993 1.00 22.15 0.076 C +ATOM 1401 SD MET A 336 -1.606 20.357 11.551 1.00 26.18 -0.173 SA +ATOM 1402 CE MET A 336 -1.439 21.196 9.958 1.00 23.98 0.089 C +ATOM 1403 H MET A 336 -4.303 21.518 14.620 1.00 15.72 0.163 HD +ATOM 1404 N ALA A 337 -1.877 24.924 14.060 1.00 15.36 -0.346 N +ATOM 1405 CA ALA A 337 -1.866 26.340 14.424 1.00 14.74 0.172 C +ATOM 1406 C ALA A 337 -0.886 27.148 13.571 1.00 13.62 0.240 C +ATOM 1407 O ALA A 337 0.080 26.611 13.030 1.00 13.10 -0.271 OA +ATOM 1408 CB ALA A 337 -1.609 26.503 15.930 1.00 14.23 0.042 C +ATOM 1409 H ALA A 337 -0.978 24.500 13.865 1.00 15.36 0.163 HD +ATOM 1410 N LYS A 338 -1.144 28.460 13.495 1.00 12.89 -0.346 N +ATOM 1411 CA LYS A 338 -0.286 29.484 12.903 1.00 13.35 0.176 C +ATOM 1412 C LYS A 338 0.718 29.938 13.981 1.00 12.32 0.241 C +ATOM 1413 O LYS A 338 0.398 29.895 15.168 1.00 13.16 -0.271 OA +ATOM 1414 CB LYS A 338 -1.172 30.695 12.542 1.00 14.33 0.035 C +ATOM 1415 CG LYS A 338 -2.369 30.372 11.626 1.00 19.42 0.004 C +ATOM 1416 CD LYS A 338 -3.265 31.586 11.332 1.00 26.51 0.027 C +ATOM 1417 CE LYS A 338 -2.604 32.643 10.437 1.00 27.08 0.229 C +ATOM 1418 NZ LYS A 338 -3.520 33.762 10.165 1.00 28.96 -0.079 N +ATOM 1419 H LYS A 338 -1.972 28.799 13.967 1.00 12.89 0.163 HD +ATOM 1420 HZ1 LYS A 338 -3.795 34.195 11.035 1.00 28.96 0.274 HD +ATOM 1421 HZ2 LYS A 338 -3.049 34.443 9.586 1.00 28.96 0.274 HD +ATOM 1422 HZ3 LYS A 338 -4.340 33.420 9.684 1.00 28.96 0.274 HD +ATOM 1423 N TYR A 339 1.931 30.353 13.586 1.00 12.23 -0.346 N +ATOM 1424 CA TYR A 339 3.028 30.675 14.506 1.00 11.81 0.180 C +ATOM 1425 C TYR A 339 3.630 32.049 14.207 1.00 12.91 0.241 C +ATOM 1426 O TYR A 339 3.908 32.369 13.054 1.00 13.83 -0.271 OA +ATOM 1427 CB TYR A 339 4.100 29.570 14.487 1.00 11.52 0.073 C +ATOM 1428 CG TYR A 339 3.774 28.336 15.313 1.00 12.42 -0.056 A +ATOM 1429 CD1 TYR A 339 4.394 28.144 16.566 1.00 11.56 0.010 A +ATOM 1430 CD2 TYR A 339 2.851 27.380 14.843 1.00 11.57 0.010 A +ATOM 1431 CE1 TYR A 339 4.073 27.019 17.347 1.00 12.64 0.037 A +ATOM 1432 CE2 TYR A 339 2.527 26.257 15.622 1.00 11.74 0.037 A +ATOM 1433 CZ TYR A 339 3.127 26.086 16.883 1.00 11.68 0.065 A +ATOM 1434 OH TYR A 339 2.778 25.034 17.673 1.00 11.32 -0.361 OA +ATOM 1435 H TYR A 339 2.130 30.402 12.597 1.00 12.23 0.163 HD +ATOM 1436 HH TYR A 339 3.178 25.070 18.529 1.00 11.32 0.217 HD +ATOM 1437 N ASP A 340 3.866 32.825 15.272 1.00 12.87 -0.345 N +ATOM 1438 CA ASP A 340 4.490 34.142 15.277 1.00 14.06 0.186 C +ATOM 1439 C ASP A 340 5.505 34.162 16.426 1.00 14.12 0.241 C +ATOM 1440 O ASP A 340 5.129 34.292 17.585 1.00 15.21 -0.271 OA +ATOM 1441 CB ASP A 340 3.384 35.219 15.332 1.00 15.00 0.147 C +ATOM 1442 CG ASP A 340 3.847 36.671 15.179 1.00 17.81 0.175 C +ATOM 1443 OD1 ASP A 340 5.069 36.940 15.165 1.00 19.53 -0.648 OA +ATOM 1444 OD2 ASP A 340 2.934 37.516 15.057 1.00 25.26 -0.648 OA +ATOM 1445 H ASP A 340 3.563 32.479 16.173 1.00 12.87 0.163 HD +ATOM 1446 N VAL A 341 6.790 33.971 16.114 1.00 13.94 -0.346 N +ATOM 1447 CA VAL A 341 7.840 33.660 17.077 1.00 13.21 0.180 C +ATOM 1448 C VAL A 341 8.894 34.764 17.044 1.00 13.86 0.241 C +ATOM 1449 O VAL A 341 9.612 34.909 16.057 1.00 15.15 -0.271 OA +ATOM 1450 CB VAL A 341 8.445 32.273 16.738 1.00 13.05 0.009 C +ATOM 1451 CG1 VAL A 341 9.559 31.859 17.725 1.00 13.39 0.012 C +ATOM 1452 CG2 VAL A 341 7.358 31.185 16.664 1.00 13.40 0.012 C +ATOM 1453 H VAL A 341 7.044 33.951 15.133 1.00 13.94 0.163 HD +ATOM 1454 N THR A 342 9.026 35.488 18.160 1.00 14.39 -0.344 N +ATOM 1455 CA THR A 342 10.137 36.389 18.427 1.00 15.48 0.205 C +ATOM 1456 C THR A 342 11.128 35.623 19.308 1.00 15.42 0.243 C +ATOM 1457 O THR A 342 10.746 34.985 20.287 1.00 15.56 -0.271 OA +ATOM 1458 CB THR A 342 9.612 37.641 19.162 1.00 16.74 0.146 C +ATOM 1459 CG2 THR A 342 10.712 38.638 19.569 1.00 19.42 0.042 C +ATOM 1460 OG1 THR A 342 8.758 38.341 18.281 1.00 17.40 -0.393 OA +ATOM 1461 H THR A 342 8.385 35.312 18.923 1.00 14.39 0.163 HD +ATOM 1462 HG1 THR A 342 7.996 37.798 18.111 1.00 17.40 0.210 HD +ATOM 1463 N VAL A 343 12.411 35.701 18.943 1.00 15.37 -0.346 N +ATOM 1464 CA VAL A 343 13.536 35.180 19.708 1.00 15.04 0.180 C +ATOM 1465 C VAL A 343 14.392 36.399 20.057 1.00 15.11 0.241 C +ATOM 1466 O VAL A 343 14.647 37.216 19.176 1.00 14.82 -0.271 OA +ATOM 1467 CB VAL A 343 14.336 34.155 18.859 1.00 15.42 0.009 C +ATOM 1468 CG1 VAL A 343 15.415 33.441 19.697 1.00 15.84 0.012 C +ATOM 1469 CG2 VAL A 343 13.430 33.115 18.172 1.00 16.65 0.012 C +ATOM 1470 H VAL A 343 12.638 36.226 18.108 1.00 15.37 0.163 HD +ATOM 1471 N THR A 344 14.850 36.506 21.313 1.00 15.19 -0.344 N +ATOM 1472 CA THR A 344 15.802 37.517 21.771 1.00 16.02 0.205 C +ATOM 1473 C THR A 344 16.941 36.838 22.533 1.00 16.05 0.243 C +ATOM 1474 O THR A 344 16.728 35.843 23.227 1.00 15.30 -0.271 OA +ATOM 1475 CB THR A 344 15.136 38.692 22.535 1.00 17.38 0.146 C +ATOM 1476 CG2 THR A 344 13.848 39.242 21.906 1.00 17.14 0.042 C +ATOM 1477 OG1 THR A 344 14.871 38.383 23.885 1.00 19.58 -0.393 OA +ATOM 1478 H THR A 344 14.589 35.788 21.980 1.00 15.19 0.163 HD +ATOM 1479 HG1 THR A 344 14.123 37.803 23.919 1.00 19.58 0.210 HD +ATOM 1480 N ALA A 345 18.153 37.388 22.393 1.00 15.51 -0.346 N +ATOM 1481 CA ALA A 345 19.386 36.885 22.984 1.00 16.20 0.172 C +ATOM 1482 C ALA A 345 20.454 37.982 22.995 1.00 17.07 0.240 C +ATOM 1483 O ALA A 345 20.266 39.037 22.389 1.00 17.73 -0.271 OA +ATOM 1484 CB ALA A 345 19.841 35.629 22.223 1.00 14.40 0.042 C +ATOM 1485 H ALA A 345 18.240 38.211 21.809 1.00 15.51 0.163 HD +ATOM 1486 N ASP A 346 21.597 37.715 23.648 1.00 18.04 -0.346 N +ATOM 1487 CA ASP A 346 22.825 38.507 23.557 1.00 19.61 0.186 C +ATOM 1488 C ASP A 346 23.385 38.407 22.125 1.00 19.46 0.241 C +ATOM 1489 O ASP A 346 23.523 37.303 21.597 1.00 19.05 -0.271 OA +ATOM 1490 CB ASP A 346 23.840 38.001 24.611 1.00 19.87 0.147 C +ATOM 1491 CG ASP A 346 25.209 38.685 24.514 1.00 22.41 0.175 C +ATOM 1492 OD1 ASP A 346 25.286 39.872 24.900 1.00 28.28 -0.648 OA +ATOM 1493 OD2 ASP A 346 26.147 38.027 24.018 1.00 23.63 -0.648 OA +ATOM 1494 H ASP A 346 21.658 36.839 24.155 1.00 18.04 0.163 HD +ATOM 1495 N LYS A 347 23.679 39.556 21.499 1.00 20.65 -0.346 N +ATOM 1496 CA LYS A 347 24.075 39.652 20.096 1.00 21.33 0.176 C +ATOM 1497 C LYS A 347 25.470 39.068 19.822 1.00 21.78 0.241 C +ATOM 1498 O LYS A 347 25.660 38.465 18.769 1.00 21.81 -0.271 OA +ATOM 1499 CB LYS A 347 24.007 41.134 19.674 1.00 22.40 0.035 C +ATOM 1500 CG LYS A 347 24.138 41.362 18.158 1.00 25.41 0.004 C +ATOM 1501 CD LYS A 347 23.964 42.839 17.779 1.00 33.21 0.027 C +ATOM 1502 CE LYS A 347 24.087 43.098 16.272 1.00 36.19 0.229 C +ATOM 1503 NZ LYS A 347 22.921 42.580 15.538 1.00 39.38 -0.079 N +ATOM 1504 H LYS A 347 23.574 40.425 22.008 1.00 20.65 0.163 HD +ATOM 1505 HZ1 LYS A 347 22.089 43.032 15.896 1.00 39.38 0.274 HD +ATOM 1506 HZ2 LYS A 347 23.017 42.788 14.555 1.00 39.38 0.274 HD +ATOM 1507 HZ3 LYS A 347 22.848 41.578 15.658 1.00 39.38 0.274 HD +ATOM 1508 N GLU A 348 26.422 39.205 20.761 1.00 23.10 -0.346 N +ATOM 1509 CA GLU A 348 27.788 38.693 20.641 1.00 24.56 0.177 C +ATOM 1510 C GLU A 348 27.838 37.155 20.659 1.00 23.69 0.241 C +ATOM 1511 O GLU A 348 28.525 36.560 19.830 1.00 23.35 -0.271 OA +ATOM 1512 CB GLU A 348 28.650 39.291 21.780 1.00 25.30 0.045 C +ATOM 1513 CG GLU A 348 30.131 38.854 21.819 1.00 31.63 0.116 C +ATOM 1514 CD GLU A 348 30.905 39.260 20.563 1.00 39.50 0.172 C +ATOM 1515 OE1 GLU A 348 30.763 40.433 20.150 1.00 43.88 -0.648 OA +ATOM 1516 OE2 GLU A 348 31.614 38.388 20.020 1.00 42.43 -0.648 OA +ATOM 1517 H GLU A 348 26.196 39.716 21.604 1.00 23.10 0.163 HD +ATOM 1518 N LYS A 349 27.093 36.522 21.580 1.00 23.34 -0.346 N +ATOM 1519 CA LYS A 349 27.037 35.071 21.751 1.00 23.27 0.176 C +ATOM 1520 C LYS A 349 26.082 34.393 20.753 1.00 21.18 0.241 C +ATOM 1521 O LYS A 349 26.295 33.229 20.416 1.00 21.26 -0.271 OA +ATOM 1522 CB LYS A 349 26.510 34.769 23.170 1.00 23.66 0.035 C +ATOM 1523 CG LYS A 349 27.536 35.075 24.276 1.00 26.75 0.004 C +ATOM 1524 CD LYS A 349 26.958 34.948 25.697 1.00 27.78 0.027 C +ATOM 1525 CE LYS A 349 26.679 33.504 26.143 1.00 32.99 0.229 C +ATOM 1526 NZ LYS A 349 27.926 32.733 26.280 1.00 36.75 -0.079 N +ATOM 1527 H LYS A 349 26.579 37.088 22.246 1.00 23.34 0.163 HD +ATOM 1528 HZ1 LYS A 349 27.715 31.799 26.598 1.00 36.75 0.274 HD +ATOM 1529 HZ2 LYS A 349 28.393 32.691 25.385 1.00 36.75 0.274 HD +ATOM 1530 HZ3 LYS A 349 28.528 33.190 26.950 1.00 36.75 0.274 HD +ATOM 1531 N TYR A 350 25.036 35.103 20.295 1.00 19.24 -0.346 N +ATOM 1532 CA TYR A 350 23.941 34.561 19.492 1.00 18.29 0.181 C +ATOM 1533 C TYR A 350 23.559 35.504 18.331 1.00 17.29 0.243 C +ATOM 1534 O TYR A 350 22.405 35.929 18.281 1.00 17.24 -0.271 OA +ATOM 1535 CB TYR A 350 22.748 34.217 20.418 1.00 18.01 0.073 C +ATOM 1536 CG TYR A 350 23.040 33.288 21.587 1.00 19.40 -0.056 A +ATOM 1537 CD1 TYR A 350 23.309 31.928 21.358 1.00 20.30 0.010 A +ATOM 1538 CD2 TYR A 350 23.051 33.779 22.909 1.00 20.80 0.010 A +ATOM 1539 CE1 TYR A 350 23.572 31.056 22.429 1.00 18.64 0.037 A +ATOM 1540 CE2 TYR A 350 23.296 32.907 23.986 1.00 21.32 0.037 A +ATOM 1541 CZ TYR A 350 23.555 31.543 23.748 1.00 20.77 0.065 A +ATOM 1542 OH TYR A 350 23.790 30.696 24.791 1.00 22.56 -0.361 OA +ATOM 1543 H TYR A 350 24.933 36.056 20.618 1.00 19.24 0.163 HD +ATOM 1544 HH TYR A 350 23.614 31.089 25.636 1.00 22.56 0.217 HD +ATOM 1545 N PRO A 351 24.470 35.840 17.385 1.00 17.50 -0.337 N +ATOM 1546 CA PRO A 351 24.187 36.769 16.276 1.00 17.90 0.179 C +ATOM 1547 C PRO A 351 23.271 36.213 15.168 1.00 17.74 0.241 C +ATOM 1548 O PRO A 351 22.668 37.009 14.449 1.00 17.29 -0.271 OA +ATOM 1549 CB PRO A 351 25.566 37.130 15.704 1.00 18.62 0.037 C +ATOM 1550 CG PRO A 351 26.427 35.921 16.013 1.00 18.04 0.022 C +ATOM 1551 CD PRO A 351 25.862 35.393 17.332 1.00 18.08 0.127 C +ATOM 1552 N VAL A 352 23.144 34.883 15.027 1.00 16.30 -0.346 N +ATOM 1553 CA VAL A 352 22.235 34.242 14.076 1.00 16.47 0.180 C +ATOM 1554 C VAL A 352 21.076 33.654 14.884 1.00 15.25 0.241 C +ATOM 1555 O VAL A 352 21.269 32.697 15.630 1.00 14.37 -0.271 OA +ATOM 1556 CB VAL A 352 22.966 33.141 13.266 1.00 16.93 0.009 C +ATOM 1557 CG1 VAL A 352 22.049 32.490 12.211 1.00 15.05 0.012 C +ATOM 1558 CG2 VAL A 352 24.222 33.696 12.581 1.00 19.10 0.012 C +ATOM 1559 H VAL A 352 23.668 34.272 15.640 1.00 16.30 0.163 HD +ATOM 1560 N LEU A 353 19.882 34.235 14.713 1.00 14.87 -0.346 N +ATOM 1561 CA LEU A 353 18.615 33.769 15.267 1.00 13.66 0.177 C +ATOM 1562 C LEU A 353 17.780 33.231 14.097 1.00 13.77 0.241 C +ATOM 1563 O LEU A 353 17.655 33.904 13.076 1.00 14.59 -0.271 OA +ATOM 1564 CB LEU A 353 17.878 34.964 15.917 1.00 14.41 0.038 C +ATOM 1565 CG LEU A 353 18.653 35.691 17.042 1.00 15.42 -0.020 C +ATOM 1566 CD1 LEU A 353 17.846 36.887 17.569 1.00 14.54 0.009 C +ATOM 1567 CD2 LEU A 353 19.045 34.755 18.196 1.00 15.13 0.009 C +ATOM 1568 H LEU A 353 19.829 35.025 14.082 1.00 14.87 0.163 HD +ATOM 1569 N LEU A 354 17.217 32.023 14.242 1.00 13.28 -0.346 N +ATOM 1570 CA LEU A 354 16.376 31.342 13.256 1.00 11.96 0.177 C +ATOM 1571 C LEU A 354 15.122 30.794 13.943 1.00 11.98 0.241 C +ATOM 1572 O LEU A 354 15.194 30.299 15.065 1.00 11.69 -0.271 OA +ATOM 1573 CB LEU A 354 17.148 30.211 12.535 1.00 11.75 0.038 C +ATOM 1574 CG LEU A 354 18.392 30.633 11.723 1.00 15.07 -0.020 C +ATOM 1575 CD1 LEU A 354 19.252 29.409 11.366 1.00 14.77 0.009 C +ATOM 1576 CD2 LEU A 354 18.022 31.415 10.451 1.00 15.25 0.009 C +ATOM 1577 H LEU A 354 17.377 31.529 15.112 1.00 13.28 0.163 HD +ATOM 1578 N SER A 355 13.991 30.837 13.230 1.00 12.21 -0.344 N +ATOM 1579 CA SER A 355 12.757 30.104 13.501 1.00 11.85 0.200 C +ATOM 1580 C SER A 355 12.082 29.787 12.153 1.00 12.83 0.243 C +ATOM 1581 O SER A 355 12.639 30.096 11.099 1.00 14.28 -0.271 OA +ATOM 1582 CB SER A 355 11.900 30.814 14.575 1.00 12.15 0.199 C +ATOM 1583 OG SER A 355 10.769 30.051 14.954 1.00 12.30 -0.398 OA +ATOM 1584 H SER A 355 14.029 31.286 12.325 1.00 12.21 0.163 HD +ATOM 1585 HG SER A 355 11.073 29.232 15.326 1.00 12.30 0.209 HD +ATOM 1586 N ASN A 356 10.903 29.150 12.167 1.00 12.52 -0.345 N +ATOM 1587 CA ASN A 356 10.144 28.780 10.965 1.00 12.83 0.185 C +ATOM 1588 C ASN A 356 9.448 30.028 10.401 1.00 13.29 0.241 C +ATOM 1589 O ASN A 356 9.114 30.951 11.143 1.00 13.86 -0.271 OA +ATOM 1590 CB ASN A 356 9.034 27.755 11.298 1.00 12.07 0.137 C +ATOM 1591 CG ASN A 356 9.479 26.628 12.229 1.00 13.08 0.217 C +ATOM 1592 ND2 ASN A 356 9.931 25.504 11.676 1.00 11.99 -0.370 N +ATOM 1593 OD1 ASN A 356 9.394 26.780 13.445 1.00 10.55 -0.274 OA +ATOM 1594 H ASN A 356 10.488 28.940 13.064 1.00 12.52 0.163 HD +ATOM 1595 1HD2 ASN A 356 9.998 25.424 10.669 1.00 11.99 0.159 HD +ATOM 1596 2HD2 ASN A 356 10.199 24.728 12.266 1.00 11.99 0.159 HD +ATOM 1597 N GLY A 357 9.207 30.040 9.086 1.00 14.37 -0.351 N +ATOM 1598 CA GLY A 357 8.563 31.133 8.373 1.00 14.79 0.225 C +ATOM 1599 C GLY A 357 9.553 32.211 7.928 1.00 16.44 0.236 C +ATOM 1600 O GLY A 357 10.769 32.019 7.963 1.00 17.42 -0.272 OA +ATOM 1601 H GLY A 357 9.519 29.256 8.527 1.00 14.37 0.163 HD +ATOM 1602 N ASP A 358 9.007 33.353 7.495 1.00 16.55 -0.346 N +ATOM 1603 CA ASP A 358 9.758 34.513 7.018 1.00 17.97 0.186 C +ATOM 1604 C ASP A 358 10.153 35.382 8.218 1.00 16.52 0.241 C +ATOM 1605 O ASP A 358 9.323 35.631 9.092 1.00 16.47 -0.271 OA +ATOM 1606 CB ASP A 358 8.855 35.370 6.094 1.00 20.58 0.147 C +ATOM 1607 CG ASP A 358 8.190 34.578 4.963 1.00 25.40 0.175 C +ATOM 1608 OD1 ASP A 358 8.929 33.890 4.223 1.00 29.87 -0.648 OA +ATOM 1609 OD2 ASP A 358 6.945 34.644 4.874 1.00 35.54 -0.648 OA +ATOM 1610 H ASP A 358 8.001 33.443 7.524 1.00 16.55 0.163 HD +ATOM 1611 N LYS A 359 11.404 35.870 8.237 1.00 17.28 -0.346 N +ATOM 1612 CA LYS A 359 11.901 36.832 9.219 1.00 18.56 0.176 C +ATOM 1613 C LYS A 359 11.386 38.224 8.815 1.00 19.59 0.241 C +ATOM 1614 O LYS A 359 11.840 38.798 7.825 1.00 21.07 -0.271 OA +ATOM 1615 CB LYS A 359 13.443 36.796 9.199 1.00 19.35 0.035 C +ATOM 1616 CG LYS A 359 14.095 37.624 10.324 1.00 21.09 0.004 C +ATOM 1617 CD LYS A 359 15.600 37.357 10.482 1.00 22.98 0.027 C +ATOM 1618 CE LYS A 359 16.413 37.648 9.213 1.00 28.62 0.229 C +ATOM 1619 NZ LYS A 359 17.855 37.510 9.465 1.00 29.83 -0.079 N +ATOM 1620 H LYS A 359 12.034 35.605 7.491 1.00 17.28 0.163 HD +ATOM 1621 HZ1 LYS A 359 18.133 38.210 10.145 1.00 29.83 0.274 HD +ATOM 1622 HZ2 LYS A 359 18.068 36.584 9.814 1.00 29.83 0.274 HD +ATOM 1623 HZ3 LYS A 359 18.364 37.683 8.608 1.00 29.83 0.274 HD +ATOM 1624 N VAL A 360 10.400 38.729 9.569 1.00 18.35 -0.346 N +ATOM 1625 CA VAL A 360 9.640 39.942 9.267 1.00 18.90 0.180 C +ATOM 1626 C VAL A 360 10.174 41.186 10.005 1.00 19.43 0.241 C +ATOM 1627 O VAL A 360 9.858 42.300 9.588 1.00 20.96 -0.271 OA +ATOM 1628 CB VAL A 360 8.145 39.711 9.628 1.00 18.40 0.009 C +ATOM 1629 CG1 VAL A 360 7.467 38.758 8.629 1.00 17.81 0.012 C +ATOM 1630 CG2 VAL A 360 7.900 39.228 11.072 1.00 17.80 0.012 C +ATOM 1631 H VAL A 360 10.103 38.194 10.374 1.00 18.35 0.163 HD +ATOM 1632 N ASN A 361 10.990 41.022 11.061 1.00 18.53 -0.346 N +ATOM 1633 CA ASN A 361 11.646 42.120 11.773 1.00 19.49 0.185 C +ATOM 1634 C ASN A 361 12.958 41.651 12.406 1.00 20.01 0.241 C +ATOM 1635 O ASN A 361 13.077 40.506 12.841 1.00 19.40 -0.271 OA +ATOM 1636 CB ASN A 361 10.670 42.799 12.772 1.00 19.30 0.137 C +ATOM 1637 CG ASN A 361 11.150 44.158 13.303 1.00 20.94 0.217 C +ATOM 1638 ND2 ASN A 361 11.480 45.093 12.411 1.00 23.23 -0.370 N +ATOM 1639 OD1 ASN A 361 11.190 44.378 14.511 1.00 22.98 -0.274 OA +ATOM 1640 H ASN A 361 11.218 40.081 11.354 1.00 18.53 0.163 HD +ATOM 1641 1HD2 ASN A 361 11.397 44.903 11.423 1.00 23.23 0.159 HD +ATOM 1642 2HD2 ASN A 361 11.792 46.000 12.729 1.00 23.23 0.159 HD +ATOM 1643 N GLU A 362 13.918 42.583 12.473 1.00 21.17 -0.346 N +ATOM 1644 CA GLU A 362 15.176 42.521 13.204 1.00 22.02 0.177 C +ATOM 1645 C GLU A 362 15.300 43.838 13.974 1.00 22.81 0.241 C +ATOM 1646 O GLU A 362 15.013 44.903 13.422 1.00 23.93 -0.271 OA +ATOM 1647 CB GLU A 362 16.353 42.310 12.235 1.00 22.29 0.045 C +ATOM 1648 CG GLU A 362 16.323 40.948 11.522 1.00 26.06 0.116 C +ATOM 1649 CD GLU A 362 17.498 40.788 10.561 1.00 31.84 0.172 C +ATOM 1650 OE1 GLU A 362 17.497 41.494 9.530 1.00 33.52 -0.648 OA +ATOM 1651 OE2 GLU A 362 18.364 39.936 10.852 1.00 30.99 -0.648 OA +ATOM 1652 H GLU A 362 13.709 43.486 12.072 1.00 21.17 0.163 HD +ATOM 1653 N PHE A 363 15.696 43.766 15.251 1.00 22.43 -0.346 N +ATOM 1654 CA PHE A 363 15.730 44.901 16.167 1.00 23.70 0.180 C +ATOM 1655 C PHE A 363 16.822 44.742 17.225 1.00 23.74 0.241 C +ATOM 1656 O PHE A 363 17.072 43.638 17.700 1.00 22.62 -0.271 OA +ATOM 1657 CB PHE A 363 14.323 45.179 16.740 1.00 24.18 0.073 C +ATOM 1658 CG PHE A 363 13.699 44.055 17.555 1.00 23.68 -0.056 A +ATOM 1659 CD1 PHE A 363 13.013 43.003 16.910 1.00 24.27 0.007 A +ATOM 1660 CD2 PHE A 363 13.785 44.067 18.963 1.00 24.10 0.007 A +ATOM 1661 CE1 PHE A 363 12.405 41.981 17.663 1.00 23.70 0.001 A +ATOM 1662 CE2 PHE A 363 13.173 43.048 19.715 1.00 25.49 0.001 A +ATOM 1663 CZ PHE A 363 12.478 42.008 19.068 1.00 23.93 0.000 A +ATOM 1664 H PHE A 363 15.912 42.858 15.640 1.00 22.43 0.163 HD +ATOM 1665 N GLU A 364 17.445 45.863 17.611 1.00 24.48 -0.346 N +ATOM 1666 CA GLU A 364 18.399 45.960 18.711 1.00 25.60 0.177 C +ATOM 1667 C GLU A 364 17.624 46.185 20.018 1.00 25.45 0.241 C +ATOM 1668 O GLU A 364 16.560 46.807 20.025 1.00 25.64 -0.271 OA +ATOM 1669 CB GLU A 364 19.305 47.189 18.469 1.00 26.84 0.045 C +ATOM 1670 CG GLU A 364 20.219 47.068 17.232 1.00 30.85 0.116 C +ATOM 1671 CD GLU A 364 21.297 45.993 17.388 1.00 35.04 0.172 C +ATOM 1672 OE1 GLU A 364 22.215 46.226 18.202 1.00 38.37 -0.648 OA +ATOM 1673 OE2 GLU A 364 21.189 44.954 16.700 1.00 36.13 -0.648 OA +ATOM 1674 H GLU A 364 17.175 46.733 17.168 1.00 24.48 0.163 HD +ATOM 1675 N ILE A 365 18.172 45.660 21.120 1.00 25.79 -0.346 N +ATOM 1676 CA ILE A 365 17.626 45.725 22.475 1.00 26.02 0.180 C +ATOM 1677 C ILE A 365 18.745 46.263 23.394 1.00 27.18 0.243 C +ATOM 1678 O ILE A 365 19.873 45.780 23.278 1.00 26.21 -0.271 OA +ATOM 1679 CB ILE A 365 17.117 44.319 22.903 1.00 25.37 0.013 C +ATOM 1680 CG1 ILE A 365 16.031 43.752 21.958 1.00 24.05 0.002 C +ATOM 1681 CG2 ILE A 365 16.648 44.275 24.375 1.00 25.44 0.012 C +ATOM 1682 CD1 ILE A 365 15.712 42.276 22.217 1.00 25.52 0.005 C +ATOM 1683 H ILE A 365 19.048 45.163 21.022 1.00 25.79 0.163 HD +ATOM 1684 N PRO A 366 18.473 47.216 24.318 1.00 28.86 -0.337 N +ATOM 1685 CA PRO A 366 19.425 47.695 25.342 1.00 30.05 0.179 C +ATOM 1686 C PRO A 366 20.156 46.584 26.124 1.00 29.88 0.241 C +ATOM 1687 O PRO A 366 19.561 45.555 26.450 1.00 30.09 -0.271 OA +ATOM 1688 CB PRO A 366 18.580 48.547 26.300 1.00 30.56 0.037 C +ATOM 1689 CG PRO A 366 17.425 49.047 25.454 1.00 30.84 0.022 C +ATOM 1690 CD PRO A 366 17.212 47.958 24.405 1.00 29.42 0.127 C +ATOM 1691 N GLY A 367 21.444 46.811 26.422 1.00 29.60 -0.351 N +ATOM 1692 CA GLY A 367 22.292 45.884 27.168 1.00 28.62 0.225 C +ATOM 1693 C GLY A 367 23.030 44.858 26.298 1.00 26.82 0.235 C +ATOM 1694 O GLY A 367 23.398 43.801 26.806 1.00 26.70 -0.272 OA +ATOM 1695 H GLY A 367 21.863 47.678 26.119 1.00 29.60 0.163 HD +ATOM 1696 N GLY A 368 23.243 45.150 25.004 1.00 25.54 -0.351 N +ATOM 1697 CA GLY A 368 23.979 44.300 24.065 1.00 23.87 0.225 C +ATOM 1698 C GLY A 368 23.150 43.163 23.454 1.00 22.60 0.236 C +ATOM 1699 O GLY A 368 23.712 42.255 22.847 1.00 21.77 -0.272 OA +ATOM 1700 H GLY A 368 22.901 46.032 24.647 1.00 25.54 0.163 HD +ATOM 1701 N ARG A 369 21.822 43.196 23.617 1.00 21.22 -0.346 N +ATOM 1702 CA ARG A 369 20.901 42.187 23.112 1.00 20.21 0.176 C +ATOM 1703 C ARG A 369 20.331 42.602 21.747 1.00 19.20 0.241 C +ATOM 1704 O ARG A 369 20.446 43.750 21.319 1.00 20.14 -0.271 OA +ATOM 1705 CB ARG A 369 19.761 42.042 24.139 1.00 19.85 0.036 C +ATOM 1706 CG ARG A 369 20.219 41.368 25.444 1.00 20.58 0.023 C +ATOM 1707 CD ARG A 369 19.089 41.224 26.472 1.00 20.35 0.138 C +ATOM 1708 NE ARG A 369 18.094 40.228 26.052 1.00 17.46 -0.227 N +ATOM 1709 CZ ARG A 369 18.220 38.896 26.150 1.00 15.56 0.665 C +ATOM 1710 NH1 ARG A 369 19.322 38.326 26.651 1.00 18.38 -0.235 N +ATOM 1711 NH2 ARG A 369 17.222 38.110 25.734 1.00 16.12 -0.235 N +ATOM 1712 H ARG A 369 21.422 43.983 24.109 1.00 21.22 0.163 HD +ATOM 1713 HE ARG A 369 17.224 40.599 25.683 1.00 17.46 0.177 HD +ATOM 1714 HH11 ARG A 369 20.090 38.884 27.013 1.00 18.38 0.174 HD +ATOM 1715 HH12 ARG A 369 19.376 37.317 26.710 1.00 18.38 0.174 HD +ATOM 1716 HH21 ARG A 369 16.390 38.506 25.311 1.00 16.12 0.174 HD +ATOM 1717 HH22 ARG A 369 17.317 37.105 25.798 1.00 16.12 0.174 HD +ATOM 1718 N HIS A 370 19.705 41.641 21.061 1.00 18.22 -0.346 N +ATOM 1719 CA HIS A 370 18.971 41.832 19.817 1.00 17.69 0.182 C +ATOM 1720 C HIS A 370 17.845 40.801 19.721 1.00 17.22 0.241 C +ATOM 1721 O HIS A 370 17.910 39.748 20.358 1.00 17.39 -0.271 OA +ATOM 1722 CB HIS A 370 19.918 41.854 18.596 1.00 17.52 0.095 C +ATOM 1723 CG HIS A 370 20.414 40.508 18.126 1.00 18.93 0.053 A +ATOM 1724 CD2 HIS A 370 20.780 39.399 18.860 1.00 17.61 0.116 A +ATOM 1725 ND1 HIS A 370 20.557 40.210 16.768 1.00 17.04 -0.247 NA +ATOM 1726 CE1 HIS A 370 20.944 38.945 16.734 1.00 19.09 0.207 A +ATOM 1727 NE2 HIS A 370 21.106 38.419 17.945 1.00 18.01 -0.359 N +ATOM 1728 H HIS A 370 19.670 40.714 21.466 1.00 18.22 0.163 HD +ATOM 1729 HE2 HIS A 370 21.416 37.476 18.152 1.00 0.00 0.166 HD +ATOM 1730 N GLY A 371 16.828 41.108 18.909 1.00 16.90 -0.351 N +ATOM 1731 CA GLY A 371 15.696 40.244 18.627 1.00 16.88 0.225 C +ATOM 1732 C GLY A 371 15.441 40.080 17.133 1.00 17.34 0.236 C +ATOM 1733 O GLY A 371 15.795 40.946 16.336 1.00 18.01 -0.272 OA +ATOM 1734 H GLY A 371 16.858 41.998 18.424 1.00 16.90 0.163 HD +ATOM 1735 N ALA A 372 14.772 38.976 16.776 1.00 16.61 -0.347 N +ATOM 1736 CA ALA A 372 14.304 38.662 15.433 1.00 15.73 0.172 C +ATOM 1737 C ALA A 372 12.921 38.020 15.520 1.00 16.10 0.240 C +ATOM 1738 O ALA A 372 12.767 36.992 16.179 1.00 15.21 -0.271 OA +ATOM 1739 CB ALA A 372 15.327 37.789 14.697 1.00 16.23 0.042 C +ATOM 1740 H ALA A 372 14.528 38.316 17.503 1.00 16.61 0.163 HD +ATOM 1741 N ARG A 373 11.933 38.627 14.847 1.00 15.43 -0.346 N +ATOM 1742 CA ARG A 373 10.567 38.130 14.742 1.00 15.10 0.176 C +ATOM 1743 C ARG A 373 10.423 37.365 13.426 1.00 15.54 0.241 C +ATOM 1744 O ARG A 373 10.785 37.863 12.361 1.00 14.99 -0.271 OA +ATOM 1745 CB ARG A 373 9.594 39.322 14.748 1.00 15.56 0.036 C +ATOM 1746 CG ARG A 373 8.108 38.910 14.775 1.00 15.75 0.023 C +ATOM 1747 CD ARG A 373 7.194 40.133 14.870 1.00 18.05 0.138 C +ATOM 1748 NE ARG A 373 5.775 39.762 14.848 1.00 18.10 -0.227 N +ATOM 1749 CZ ARG A 373 4.759 40.635 14.740 1.00 17.98 0.665 C +ATOM 1750 NH1 ARG A 373 4.972 41.953 14.633 1.00 18.67 -0.235 N +ATOM 1751 NH2 ARG A 373 3.499 40.191 14.738 1.00 19.56 -0.235 N +ATOM 1752 H ARG A 373 12.165 39.445 14.299 1.00 15.43 0.163 HD +ATOM 1753 HE ARG A 373 5.559 38.772 14.956 1.00 18.10 0.177 HD +ATOM 1754 HH11 ARG A 373 5.911 42.333 14.645 1.00 18.67 0.174 HD +ATOM 1755 HH12 ARG A 373 4.181 42.580 14.533 1.00 18.67 0.174 HD +ATOM 1756 HH21 ARG A 373 3.308 39.193 14.833 1.00 19.56 0.174 HD +ATOM 1757 HH22 ARG A 373 2.729 40.839 14.650 1.00 19.56 0.174 HD +ATOM 1758 N PHE A 374 9.867 36.156 13.535 1.00 14.39 -0.346 N +ATOM 1759 CA PHE A 374 9.525 35.247 12.456 1.00 15.35 0.180 C +ATOM 1760 C PHE A 374 8.016 35.037 12.475 1.00 16.05 0.241 C +ATOM 1761 O PHE A 374 7.448 34.828 13.542 1.00 16.90 -0.271 OA +ATOM 1762 CB PHE A 374 10.223 33.899 12.697 1.00 15.18 0.073 C +ATOM 1763 CG PHE A 374 11.723 33.961 12.513 1.00 17.11 -0.056 A +ATOM 1764 CD1 PHE A 374 12.284 33.626 11.265 1.00 17.93 0.007 A +ATOM 1765 CD2 PHE A 374 12.552 34.381 13.575 1.00 17.30 0.007 A +ATOM 1766 CE1 PHE A 374 13.671 33.735 11.071 1.00 19.75 0.001 A +ATOM 1767 CE2 PHE A 374 13.939 34.503 13.375 1.00 19.21 0.001 A +ATOM 1768 CZ PHE A 374 14.490 34.195 12.117 1.00 16.54 0.000 A +ATOM 1769 H PHE A 374 9.623 35.838 14.466 1.00 14.39 0.163 HD +ATOM 1770 N ASN A 375 7.377 35.050 11.302 1.00 15.43 -0.346 N +ATOM 1771 CA ASN A 375 5.957 34.767 11.142 1.00 14.89 0.185 C +ATOM 1772 C ASN A 375 5.812 33.676 10.086 1.00 14.10 0.241 C +ATOM 1773 O ASN A 375 6.344 33.797 8.982 1.00 14.47 -0.271 OA +ATOM 1774 CB ASN A 375 5.198 36.071 10.813 1.00 16.16 0.137 C +ATOM 1775 CG ASN A 375 3.677 35.911 10.903 1.00 18.07 0.217 C +ATOM 1776 ND2 ASN A 375 2.953 36.294 9.850 1.00 20.07 -0.370 N +ATOM 1777 OD1 ASN A 375 3.160 35.410 11.898 1.00 19.14 -0.274 OA +ATOM 1778 H ASN A 375 7.916 35.207 10.458 1.00 15.43 0.163 HD +ATOM 1779 1HD2 ASN A 375 3.409 36.685 9.038 1.00 20.07 0.159 HD +ATOM 1780 2HD2 ASN A 375 1.949 36.185 9.867 1.00 20.07 0.159 HD +ATOM 1781 N ASP A 376 5.059 32.627 10.443 1.00 13.97 -0.345 N +ATOM 1782 CA ASP A 376 4.768 31.455 9.634 1.00 14.92 0.186 C +ATOM 1783 C ASP A 376 3.237 31.290 9.535 1.00 15.47 0.243 C +ATOM 1784 O ASP A 376 2.671 30.533 10.326 1.00 14.54 -0.271 OA +ATOM 1785 CB ASP A 376 5.505 30.242 10.259 1.00 14.48 0.147 C +ATOM 1786 CG ASP A 376 5.578 29.005 9.363 1.00 17.08 0.175 C +ATOM 1787 OD1 ASP A 376 5.310 29.127 8.148 1.00 21.50 -0.648 OA +ATOM 1788 OD2 ASP A 376 5.925 27.934 9.905 1.00 16.70 -0.648 OA +ATOM 1789 H ASP A 376 4.663 32.631 11.376 1.00 13.97 0.163 HD +ATOM 1790 N PRO A 377 2.545 32.016 8.622 1.00 16.38 -0.337 N +ATOM 1791 CA PRO A 377 1.087 31.943 8.440 1.00 17.11 0.179 C +ATOM 1792 C PRO A 377 0.489 30.544 8.158 1.00 16.71 0.243 C +ATOM 1793 O PRO A 377 -0.546 30.263 8.759 1.00 16.46 -0.271 OA +ATOM 1794 CB PRO A 377 0.728 32.917 7.308 1.00 17.59 0.037 C +ATOM 1795 CG PRO A 377 1.972 33.750 7.053 1.00 17.34 0.022 C +ATOM 1796 CD PRO A 377 3.128 33.038 7.752 1.00 17.06 0.127 C +ATOM 1797 N PRO A 378 1.059 29.669 7.286 1.00 17.00 -0.337 N +ATOM 1798 CA PRO A 378 0.556 28.299 7.057 1.00 16.32 0.179 C +ATOM 1799 C PRO A 378 0.450 27.480 8.354 1.00 15.34 0.241 C +ATOM 1800 O PRO A 378 1.304 27.606 9.231 1.00 14.28 -0.271 OA +ATOM 1801 CB PRO A 378 1.570 27.640 6.108 1.00 16.64 0.037 C +ATOM 1802 CG PRO A 378 2.201 28.801 5.369 1.00 19.67 0.022 C +ATOM 1803 CD PRO A 378 2.153 29.965 6.356 1.00 18.14 0.127 C +ATOM 1804 N LEU A 379 -0.590 26.644 8.476 1.00 15.03 -0.346 N +ATOM 1805 CA LEU A 379 -0.825 25.817 9.657 1.00 14.24 0.177 C +ATOM 1806 C LEU A 379 0.213 24.690 9.747 1.00 13.21 0.241 C +ATOM 1807 O LEU A 379 0.585 24.101 8.731 1.00 12.79 -0.271 OA +ATOM 1808 CB LEU A 379 -2.223 25.172 9.581 1.00 15.51 0.038 C +ATOM 1809 CG LEU A 379 -3.422 26.138 9.638 1.00 18.25 -0.020 C +ATOM 1810 CD1 LEU A 379 -4.730 25.367 9.405 1.00 20.77 0.009 C +ATOM 1811 CD2 LEU A 379 -3.495 26.901 10.967 1.00 19.12 0.009 C +ATOM 1812 H LEU A 379 -1.261 26.586 7.719 1.00 15.03 0.163 HD +ATOM 1813 N LYS A 380 0.657 24.386 10.973 1.00 11.97 -0.346 N +ATOM 1814 CA LYS A 380 1.555 23.279 11.277 1.00 11.50 0.176 C +ATOM 1815 C LYS A 380 1.269 22.702 12.667 1.00 10.81 0.243 C +ATOM 1816 O LYS A 380 0.766 23.428 13.524 1.00 10.93 -0.271 OA +ATOM 1817 CB LYS A 380 3.035 23.673 11.037 1.00 10.28 0.035 C +ATOM 1818 CG LYS A 380 3.669 24.581 12.105 1.00 13.83 0.004 C +ATOM 1819 CD LYS A 380 5.176 24.754 11.871 1.00 12.57 0.027 C +ATOM 1820 CE LYS A 380 5.840 25.693 12.881 1.00 13.99 0.229 C +ATOM 1821 NZ LYS A 380 5.529 27.097 12.585 1.00 14.39 -0.079 N +ATOM 1822 H LYS A 380 0.328 24.934 11.758 1.00 11.97 0.163 HD +ATOM 1823 HZ1 LYS A 380 5.821 27.327 11.640 1.00 14.39 0.274 HD +ATOM 1824 HZ2 LYS A 380 4.531 27.252 12.650 1.00 14.39 0.274 HD +ATOM 1825 HZ3 LYS A 380 6.011 27.700 13.240 1.00 14.39 0.274 HD +ATOM 1826 N PRO A 381 1.669 21.440 12.931 1.00 10.85 -0.337 N +ATOM 1827 CA PRO A 381 1.733 20.883 14.283 1.00 10.63 0.179 C +ATOM 1828 C PRO A 381 2.963 21.421 15.033 1.00 8.91 0.241 C +ATOM 1829 O PRO A 381 3.953 21.831 14.422 1.00 8.92 -0.271 OA +ATOM 1830 CB PRO A 381 1.867 19.378 14.054 1.00 9.85 0.037 C +ATOM 1831 CG PRO A 381 2.652 19.279 12.761 1.00 11.37 0.022 C +ATOM 1832 CD PRO A 381 2.137 20.460 11.947 1.00 10.56 0.127 C +ATOM 1833 N CYS A 382 2.893 21.403 16.369 1.00 9.81 -0.345 N +ATOM 1834 CA CYS A 382 3.919 21.942 17.256 1.00 10.38 0.185 C +ATOM 1835 C CYS A 382 5.221 21.121 17.301 1.00 11.02 0.241 C +ATOM 1836 O CYS A 382 6.225 21.641 17.784 1.00 11.24 -0.271 OA +ATOM 1837 CB CYS A 382 3.322 22.130 18.666 1.00 10.04 0.105 C +ATOM 1838 SG CYS A 382 3.050 20.593 19.589 1.00 12.13 -0.180 SA +ATOM 1839 H CYS A 382 2.056 21.026 16.800 1.00 9.81 0.163 HD +ATOM 1840 HG CYS A 382 4.317 20.166 19.550 1.00 12.13 0.101 HD +ATOM 1841 N TYR A 383 5.241 19.882 16.769 1.00 11.73 -0.346 N +ATOM 1842 CA TYR A 383 6.463 19.085 16.635 1.00 11.87 0.180 C +ATOM 1843 C TYR A 383 7.376 19.596 15.502 1.00 11.07 0.241 C +ATOM 1844 O TYR A 383 8.571 19.312 15.523 1.00 11.84 -0.271 OA +ATOM 1845 CB TYR A 383 6.120 17.587 16.450 1.00 11.86 0.073 C +ATOM 1846 CG TYR A 383 5.748 17.074 15.066 1.00 11.79 -0.056 A +ATOM 1847 CD1 TYR A 383 4.401 16.885 14.707 1.00 12.30 0.010 A +ATOM 1848 CD2 TYR A 383 6.762 16.701 14.158 1.00 10.69 0.010 A +ATOM 1849 CE1 TYR A 383 4.069 16.358 13.444 1.00 12.94 0.037 A +ATOM 1850 CE2 TYR A 383 6.435 16.168 12.900 1.00 12.23 0.037 A +ATOM 1851 CZ TYR A 383 5.085 16.016 12.534 1.00 12.31 0.065 A +ATOM 1852 OH TYR A 383 4.760 15.538 11.300 1.00 12.93 -0.361 OA +ATOM 1853 H TYR A 383 4.381 19.492 16.408 1.00 11.73 0.163 HD +ATOM 1854 HH TYR A 383 3.832 15.568 11.122 1.00 12.93 0.217 HD +ATOM 1855 N LEU A 384 6.826 20.362 14.541 1.00 10.40 -0.346 N +ATOM 1856 CA LEU A 384 7.553 21.000 13.442 1.00 10.52 0.177 C +ATOM 1857 C LEU A 384 7.905 22.465 13.738 1.00 11.08 0.241 C +ATOM 1858 O LEU A 384 8.481 23.125 12.873 1.00 12.16 -0.271 OA +ATOM 1859 CB LEU A 384 6.704 20.928 12.153 1.00 10.11 0.038 C +ATOM 1860 CG LEU A 384 6.548 19.502 11.599 1.00 11.91 -0.020 C +ATOM 1861 CD1 LEU A 384 5.629 19.480 10.379 1.00 10.12 0.009 C +ATOM 1862 CD2 LEU A 384 7.892 18.860 11.227 1.00 13.51 0.009 C +ATOM 1863 H LEU A 384 5.834 20.552 14.600 1.00 10.40 0.163 HD +ATOM 1864 N PHE A 385 7.655 22.952 14.969 1.00 11.34 -0.346 N +ATOM 1865 CA PHE A 385 8.271 24.167 15.498 1.00 10.93 0.180 C +ATOM 1866 C PHE A 385 9.779 23.928 15.666 1.00 11.02 0.241 C +ATOM 1867 O PHE A 385 10.195 22.868 16.133 1.00 11.08 -0.271 OA +ATOM 1868 CB PHE A 385 7.652 24.535 16.868 1.00 11.46 0.073 C +ATOM 1869 CG PHE A 385 8.386 25.641 17.616 1.00 11.68 -0.056 A +ATOM 1870 CD1 PHE A 385 8.197 26.993 17.271 1.00 14.22 0.007 A +ATOM 1871 CD2 PHE A 385 9.328 25.307 18.612 1.00 10.76 0.007 A +ATOM 1872 CE1 PHE A 385 8.975 27.986 17.896 1.00 13.51 0.001 A +ATOM 1873 CE2 PHE A 385 10.094 26.301 19.243 1.00 13.53 0.001 A +ATOM 1874 CZ PHE A 385 9.925 27.645 18.873 1.00 12.26 0.000 A +ATOM 1875 H PHE A 385 7.181 22.351 15.629 1.00 11.34 0.163 HD +ATOM 1876 N ALA A 386 10.570 24.953 15.330 1.00 10.29 -0.346 N +ATOM 1877 CA ALA A 386 11.984 25.046 15.626 1.00 10.38 0.172 C +ATOM 1878 C ALA A 386 12.418 26.472 15.933 1.00 10.39 0.240 C +ATOM 1879 O ALA A 386 11.856 27.439 15.423 1.00 9.33 -0.271 OA +ATOM 1880 CB ALA A 386 12.844 24.374 14.554 1.00 9.68 0.042 C +ATOM 1881 H ALA A 386 10.141 25.777 14.926 1.00 10.29 0.163 HD +ATOM 1882 N VAL A 387 13.479 26.555 16.739 1.00 9.52 -0.346 N +ATOM 1883 CA VAL A 387 14.269 27.732 17.040 1.00 10.81 0.180 C +ATOM 1884 C VAL A 387 15.742 27.316 17.113 1.00 11.17 0.241 C +ATOM 1885 O VAL A 387 16.067 26.258 17.658 1.00 12.24 -0.271 OA +ATOM 1886 CB VAL A 387 13.723 28.494 18.276 1.00 11.61 0.009 C +ATOM 1887 CG1 VAL A 387 13.631 27.616 19.534 1.00 11.40 0.012 C +ATOM 1888 CG2 VAL A 387 14.539 29.759 18.589 1.00 17.60 0.012 C +ATOM 1889 H VAL A 387 13.827 25.688 17.120 1.00 9.52 0.163 HD +ATOM 1890 N VAL A 388 16.618 28.175 16.577 1.00 11.39 -0.346 N +ATOM 1891 CA VAL A 388 18.069 28.099 16.686 1.00 12.16 0.180 C +ATOM 1892 C VAL A 388 18.583 29.501 17.038 1.00 12.74 0.241 C +ATOM 1893 O VAL A 388 18.098 30.496 16.503 1.00 12.37 -0.271 OA +ATOM 1894 CB VAL A 388 18.723 27.495 15.412 1.00 13.29 0.009 C +ATOM 1895 CG1 VAL A 388 20.241 27.323 15.573 1.00 14.98 0.012 C +ATOM 1896 CG2 VAL A 388 18.105 26.154 14.975 1.00 12.12 0.012 C +ATOM 1897 H VAL A 388 16.248 29.011 16.141 1.00 11.39 0.163 HD +ATOM 1898 N ALA A 389 19.589 29.565 17.917 1.00 13.28 -0.346 N +ATOM 1899 CA ALA A 389 20.328 30.764 18.279 1.00 13.83 0.172 C +ATOM 1900 C ALA A 389 21.797 30.383 18.473 1.00 14.05 0.240 C +ATOM 1901 O ALA A 389 22.094 29.516 19.289 1.00 14.76 -0.271 OA +ATOM 1902 CB ALA A 389 19.670 31.455 19.483 1.00 14.29 0.042 C +ATOM 1903 H ALA A 389 19.916 28.696 18.323 1.00 13.28 0.163 HD +ATOM 1904 N GLY A 390 22.719 31.014 17.734 1.00 13.68 -0.351 N +ATOM 1905 CA GLY A 390 24.143 30.691 17.772 1.00 15.07 0.225 C +ATOM 1906 C GLY A 390 24.977 31.661 16.938 1.00 15.42 0.236 C +ATOM 1907 O GLY A 390 24.437 32.463 16.180 1.00 15.38 -0.272 OA +ATOM 1908 H GLY A 390 22.420 31.715 17.067 1.00 13.68 0.163 HD +ATOM 1909 N ASP A 391 26.308 31.555 17.060 1.00 16.60 -0.346 N +ATOM 1910 CA ASP A 391 27.293 32.201 16.194 1.00 18.16 0.186 C +ATOM 1911 C ASP A 391 27.618 31.218 15.061 1.00 18.38 0.241 C +ATOM 1912 O ASP A 391 28.688 30.612 15.006 1.00 20.91 -0.271 OA +ATOM 1913 CB ASP A 391 28.537 32.591 17.033 1.00 19.07 0.147 C +ATOM 1914 CG ASP A 391 29.644 33.331 16.268 1.00 23.35 0.175 C +ATOM 1915 OD1 ASP A 391 29.358 33.869 15.175 1.00 24.38 -0.648 OA +ATOM 1916 OD2 ASP A 391 30.773 33.358 16.804 1.00 25.45 -0.648 OA +ATOM 1917 H ASP A 391 26.673 30.896 17.737 1.00 16.60 0.163 HD +ATOM 1918 N LEU A 392 26.631 31.042 14.174 1.00 17.11 -0.346 N +ATOM 1919 CA LEU A 392 26.688 30.127 13.050 1.00 16.78 0.177 C +ATOM 1920 C LEU A 392 27.283 30.864 11.846 1.00 16.35 0.241 C +ATOM 1921 O LEU A 392 26.979 32.031 11.609 1.00 15.47 -0.271 OA +ATOM 1922 CB LEU A 392 25.253 29.704 12.676 1.00 16.42 0.038 C +ATOM 1923 CG LEU A 392 24.483 28.948 13.776 1.00 18.94 -0.020 C +ATOM 1924 CD1 LEU A 392 22.989 28.880 13.437 1.00 21.69 0.009 C +ATOM 1925 CD2 LEU A 392 25.045 27.539 14.002 1.00 19.01 0.009 C +ATOM 1926 H LEU A 392 25.780 31.570 14.299 1.00 17.11 0.163 HD +ATOM 1927 N LYS A 393 28.110 30.157 11.074 1.00 16.32 -0.346 N +ATOM 1928 CA LYS A 393 28.572 30.552 9.748 1.00 16.65 0.176 C +ATOM 1929 C LYS A 393 27.881 29.640 8.732 1.00 16.02 0.241 C +ATOM 1930 O LYS A 393 27.409 28.557 9.085 1.00 15.67 -0.271 OA +ATOM 1931 CB LYS A 393 30.101 30.377 9.663 1.00 17.23 0.035 C +ATOM 1932 CG LYS A 393 30.888 31.120 10.754 1.00 18.59 0.004 C +ATOM 1933 CD LYS A 393 30.616 32.630 10.837 1.00 21.64 0.027 C +ATOM 1934 CE LYS A 393 31.393 33.272 11.992 1.00 23.38 0.229 C +ATOM 1935 NZ LYS A 393 31.025 34.684 12.180 1.00 27.27 -0.079 N +ATOM 1936 H LYS A 393 28.292 29.197 11.342 1.00 16.32 0.163 HD +ATOM 1937 HZ1 LYS A 393 30.034 34.751 12.370 1.00 27.27 0.274 HD +ATOM 1938 HZ2 LYS A 393 31.538 35.042 12.977 1.00 27.27 0.274 HD +ATOM 1939 HZ3 LYS A 393 31.255 35.219 11.355 1.00 27.27 0.274 HD +ATOM 1940 N HIS A 394 27.807 30.088 7.472 1.00 15.99 -0.346 N +ATOM 1941 CA HIS A 394 27.031 29.433 6.426 1.00 14.76 0.182 C +ATOM 1942 C HIS A 394 27.745 29.363 5.081 1.00 15.96 0.241 C +ATOM 1943 O HIS A 394 28.595 30.195 4.764 1.00 15.91 -0.271 OA +ATOM 1944 CB HIS A 394 25.633 30.080 6.305 1.00 14.87 0.093 C +ATOM 1945 CG HIS A 394 25.632 31.504 5.799 1.00 15.77 0.030 A +ATOM 1946 CD2 HIS A 394 25.615 32.012 4.518 1.00 16.61 0.143 A +ATOM 1947 ND1 HIS A 394 25.717 32.606 6.628 1.00 18.05 -0.353 N +ATOM 1948 CE1 HIS A 394 25.743 33.690 5.849 1.00 18.81 0.207 A +ATOM 1949 NE2 HIS A 394 25.688 33.405 4.555 1.00 22.25 -0.254 NA +ATOM 1950 H HIS A 394 28.250 30.969 7.239 1.00 15.99 0.163 HD +ATOM 1951 HD1 HIS A 394 25.744 32.610 7.641 1.00 18.05 0.166 HD +ATOM 1952 N LEU A 395 27.286 28.405 4.265 1.00 15.83 -0.346 N +ATOM 1953 CA LEU A 395 27.342 28.449 2.809 1.00 17.12 0.177 C +ATOM 1954 C LEU A 395 25.896 28.628 2.316 1.00 18.05 0.241 C +ATOM 1955 O LEU A 395 24.947 28.228 2.997 1.00 17.33 -0.271 OA +ATOM 1956 CB LEU A 395 27.931 27.136 2.251 1.00 16.82 0.038 C +ATOM 1957 CG LEU A 395 29.325 26.756 2.795 1.00 17.04 -0.020 C +ATOM 1958 CD1 LEU A 395 29.746 25.382 2.266 1.00 20.77 0.009 C +ATOM 1959 CD2 LEU A 395 30.396 27.806 2.459 1.00 21.34 0.009 C +ATOM 1960 H LEU A 395 26.610 27.760 4.652 1.00 15.83 0.163 HD +ATOM 1961 N SER A 396 25.730 29.244 1.137 1.00 19.56 -0.344 N +ATOM 1962 CA SER A 396 24.432 29.570 0.553 1.00 20.90 0.200 C +ATOM 1963 C SER A 396 24.427 29.392 -0.967 1.00 21.09 0.243 C +ATOM 1964 O SER A 396 25.444 29.592 -1.629 1.00 21.17 -0.271 OA +ATOM 1965 CB SER A 396 23.950 30.951 1.055 1.00 23.14 0.199 C +ATOM 1966 OG SER A 396 22.693 31.322 0.521 1.00 30.75 -0.398 OA +ATOM 1967 H SER A 396 26.552 29.540 0.624 1.00 19.56 0.163 HD +ATOM 1968 HG SER A 396 22.047 30.692 0.807 1.00 30.75 0.209 HD +ATOM 1969 N ALA A 397 23.253 29.038 -1.506 1.00 20.07 -0.346 N +ATOM 1970 CA ALA A 397 22.949 28.916 -2.925 1.00 20.57 0.172 C +ATOM 1971 C ALA A 397 21.495 29.315 -3.190 1.00 20.03 0.240 C +ATOM 1972 O ALA A 397 20.678 29.343 -2.272 1.00 19.20 -0.271 OA +ATOM 1973 CB ALA A 397 23.293 27.504 -3.425 1.00 19.94 0.042 C +ATOM 1974 H ALA A 397 22.471 28.916 -0.877 1.00 20.07 0.163 HD +ATOM 1975 N THR A 398 21.170 29.609 -4.455 1.00 20.97 -0.344 N +ATOM 1976 CA THR A 398 19.810 29.857 -4.927 1.00 21.35 0.205 C +ATOM 1977 C THR A 398 19.427 28.687 -5.845 1.00 21.19 0.243 C +ATOM 1978 O THR A 398 20.197 28.313 -6.731 1.00 22.77 -0.271 OA +ATOM 1979 CB THR A 398 19.773 31.203 -5.690 1.00 22.62 0.146 C +ATOM 1980 CG2 THR A 398 18.399 31.535 -6.303 1.00 24.06 0.042 C +ATOM 1981 OG1 THR A 398 20.057 32.242 -4.774 1.00 25.42 -0.393 OA +ATOM 1982 H THR A 398 21.901 29.580 -5.156 1.00 20.97 0.163 HD +ATOM 1983 HG1 THR A 398 20.898 32.074 -4.374 1.00 25.42 0.210 HD +ATOM 1984 N TYR A 399 18.225 28.135 -5.637 1.00 19.20 -0.346 N +ATOM 1985 CA TYR A 399 17.621 27.089 -6.452 1.00 19.07 0.180 C +ATOM 1986 C TYR A 399 16.322 27.636 -7.050 1.00 19.92 0.241 C +ATOM 1987 O TYR A 399 15.437 28.059 -6.310 1.00 20.60 -0.271 OA +ATOM 1988 CB TYR A 399 17.362 25.857 -5.564 1.00 18.16 0.073 C +ATOM 1989 CG TYR A 399 16.920 24.621 -6.327 1.00 18.17 -0.056 A +ATOM 1990 CD1 TYR A 399 17.881 23.684 -6.758 1.00 16.76 0.010 A +ATOM 1991 CD2 TYR A 399 15.557 24.414 -6.627 1.00 17.28 0.010 A +ATOM 1992 CE1 TYR A 399 17.485 22.552 -7.493 1.00 16.59 0.037 A +ATOM 1993 CE2 TYR A 399 15.160 23.283 -7.362 1.00 16.56 0.037 A +ATOM 1994 CZ TYR A 399 16.125 22.356 -7.799 1.00 18.07 0.065 A +ATOM 1995 OH TYR A 399 15.747 21.269 -8.523 1.00 17.23 -0.361 OA +ATOM 1996 H TYR A 399 17.659 28.501 -4.881 1.00 19.20 0.163 HD +ATOM 1997 HH TYR A 399 14.805 21.204 -8.640 1.00 17.23 0.217 HD +ATOM 1998 N ILE A 400 16.202 27.600 -8.384 1.00 20.15 -0.346 N +ATOM 1999 CA ILE A 400 15.000 27.993 -9.118 1.00 20.80 0.180 C +ATOM 2000 C ILE A 400 14.222 26.698 -9.407 1.00 20.31 0.241 C +ATOM 2001 O ILE A 400 14.763 25.780 -10.027 1.00 19.98 -0.271 OA +ATOM 2002 CB ILE A 400 15.407 28.712 -10.438 1.00 21.71 0.013 C +ATOM 2003 CG1 ILE A 400 16.246 29.981 -10.141 1.00 22.60 0.002 C +ATOM 2004 CG2 ILE A 400 14.173 29.090 -11.287 1.00 22.36 0.012 C +ATOM 2005 CD1 ILE A 400 16.887 30.628 -11.376 1.00 24.66 0.005 C +ATOM 2006 H ILE A 400 16.962 27.208 -8.925 1.00 20.15 0.163 HD +ATOM 2007 N THR A 401 12.959 26.630 -8.954 1.00 20.09 -0.344 N +ATOM 2008 CA THR A 401 12.070 25.473 -9.103 1.00 20.70 0.205 C +ATOM 2009 C THR A 401 11.646 25.238 -10.570 1.00 21.97 0.243 C +ATOM 2010 O THR A 401 11.704 26.146 -11.399 1.00 21.98 -0.271 OA +ATOM 2011 CB THR A 401 10.834 25.636 -8.187 1.00 20.49 0.146 C +ATOM 2012 CG2 THR A 401 11.166 25.767 -6.694 1.00 17.83 0.042 C +ATOM 2013 OG1 THR A 401 10.046 26.734 -8.592 1.00 23.95 -0.393 OA +ATOM 2014 H THR A 401 12.586 27.424 -8.450 1.00 20.09 0.163 HD +ATOM 2015 HG1 THR A 401 9.217 26.697 -8.136 1.00 23.95 0.210 HD +ATOM 2016 N LYS A 402 11.267 23.991 -10.890 1.00 21.50 -0.346 N +ATOM 2017 CA LYS A 402 11.102 23.484 -12.254 1.00 23.13 0.176 C +ATOM 2018 C LYS A 402 9.919 24.091 -13.033 1.00 24.52 0.241 C +ATOM 2019 O LYS A 402 10.062 24.309 -14.236 1.00 26.03 -0.271 OA +ATOM 2020 CB LYS A 402 10.963 21.946 -12.179 1.00 22.84 0.035 C +ATOM 2021 CG LYS A 402 10.952 21.226 -13.539 1.00 23.61 0.004 C +ATOM 2022 CD LYS A 402 11.085 19.703 -13.398 1.00 23.28 0.027 C +ATOM 2023 CE LYS A 402 11.171 18.999 -14.757 1.00 24.90 0.229 C +ATOM 2024 NZ LYS A 402 11.311 17.543 -14.601 1.00 20.98 -0.079 N +ATOM 2025 H LYS A 402 11.229 23.311 -10.140 1.00 21.50 0.163 HD +ATOM 2026 HZ1 LYS A 402 10.472 17.160 -14.183 1.00 20.98 0.274 HD +ATOM 2027 HZ2 LYS A 402 11.453 17.114 -15.503 1.00 20.98 0.274 HD +ATOM 2028 HZ3 LYS A 402 12.104 17.340 -13.999 1.00 20.98 0.274 HD +ATOM 2029 N TYR A 403 8.772 24.352 -12.380 1.00 25.56 -0.346 N +ATOM 2030 CA TYR A 403 7.519 24.729 -13.046 1.00 27.96 0.180 C +ATOM 2031 C TYR A 403 7.089 26.157 -12.692 1.00 28.47 0.241 C +ATOM 2032 O TYR A 403 6.824 26.948 -13.597 1.00 29.22 -0.271 OA +ATOM 2033 CB TYR A 403 6.407 23.727 -12.673 1.00 28.80 0.073 C +ATOM 2034 CG TYR A 403 6.708 22.296 -13.072 1.00 30.64 -0.056 A +ATOM 2035 CD1 TYR A 403 6.659 21.934 -14.432 1.00 31.54 0.010 A +ATOM 2036 CD2 TYR A 403 7.055 21.333 -12.099 1.00 30.82 0.010 A +ATOM 2037 CE1 TYR A 403 6.958 20.616 -14.820 1.00 32.80 0.037 A +ATOM 2038 CE2 TYR A 403 7.353 20.013 -12.488 1.00 32.28 0.037 A +ATOM 2039 CZ TYR A 403 7.303 19.657 -13.850 1.00 31.34 0.065 A +ATOM 2040 OH TYR A 403 7.588 18.387 -14.249 1.00 33.13 -0.361 OA +ATOM 2041 H TYR A 403 8.732 24.195 -11.380 1.00 25.56 0.163 HD +ATOM 2042 HH TYR A 403 7.774 17.788 -13.541 1.00 33.13 0.217 HD +ATOM 2043 N THR A 404 7.030 26.494 -11.393 1.00 27.94 -0.344 N +ATOM 2044 CA THR A 404 6.641 27.817 -10.892 1.00 29.11 0.205 C +ATOM 2045 C THR A 404 7.769 28.856 -11.038 1.00 29.48 0.243 C +ATOM 2046 O THR A 404 7.475 30.050 -11.020 1.00 30.72 -0.271 OA +ATOM 2047 CB THR A 404 6.195 27.716 -9.407 1.00 28.50 0.146 C +ATOM 2048 CG2 THR A 404 4.917 26.892 -9.212 1.00 30.16 0.042 C +ATOM 2049 OG1 THR A 404 7.208 27.197 -8.568 1.00 28.90 -0.393 OA +ATOM 2050 H THR A 404 7.276 25.788 -10.707 1.00 27.94 0.163 HD +ATOM 2051 HG1 THR A 404 7.362 26.294 -8.817 1.00 28.90 0.210 HD +ATOM 2052 N LYS A 405 9.035 28.418 -11.189 1.00 28.50 -0.346 N +ATOM 2053 CA LYS A 405 10.224 29.246 -11.436 1.00 28.64 0.176 C +ATOM 2054 C LYS A 405 10.590 30.126 -10.226 1.00 28.37 0.241 C +ATOM 2055 O LYS A 405 11.201 31.184 -10.378 1.00 28.92 -0.271 OA +ATOM 2056 CB LYS A 405 10.126 30.021 -12.773 1.00 0.00 0.035 C +ATOM 2057 CG LYS A 405 10.016 29.094 -13.995 1.00 0.00 0.004 C +ATOM 2058 CD LYS A 405 9.768 29.867 -15.296 1.00 0.00 0.027 C +ATOM 2059 CE LYS A 405 9.583 28.935 -16.500 1.00 0.00 0.229 C +ATOM 2060 NZ LYS A 405 9.238 29.695 -17.714 1.00 0.00 -0.079 N +ATOM 2061 H LYS A 405 9.183 27.419 -11.167 1.00 28.50 0.163 HD +ATOM 2062 HZ1 LYS A 405 9.977 30.351 -17.923 1.00 0.00 0.274 HD +ATOM 2063 HZ2 LYS A 405 9.122 29.057 -18.489 1.00 0.00 0.274 HD +ATOM 2064 HZ3 LYS A 405 8.374 30.198 -17.562 1.00 0.00 0.274 HD +ATOM 2065 N LYS A 406 10.194 29.683 -9.023 1.00 27.26 -0.346 N +ATOM 2066 CA LYS A 406 10.378 30.366 -7.753 1.00 27.58 0.176 C +ATOM 2067 C LYS A 406 11.831 30.196 -7.301 1.00 26.50 0.241 C +ATOM 2068 O LYS A 406 12.328 29.072 -7.228 1.00 25.67 -0.271 OA +ATOM 2069 CB LYS A 406 9.440 29.704 -6.717 1.00 26.99 0.035 C +ATOM 2070 CG LYS A 406 9.454 30.390 -5.340 1.00 28.33 0.004 C +ATOM 2071 CD LYS A 406 8.485 29.746 -4.339 1.00 28.64 0.027 C +ATOM 2072 CE LYS A 406 8.488 30.458 -2.980 1.00 32.67 0.229 C +ATOM 2073 NZ LYS A 406 7.878 31.795 -3.057 1.00 34.32 -0.079 N +ATOM 2074 H LYS A 406 9.738 28.781 -8.989 1.00 27.26 0.163 HD +ATOM 2075 HZ1 LYS A 406 7.820 32.195 -2.127 1.00 34.32 0.274 HD +ATOM 2076 HZ2 LYS A 406 8.438 32.394 -3.645 1.00 34.32 0.274 HD +ATOM 2077 HZ3 LYS A 406 6.945 31.721 -3.436 1.00 34.32 0.274 HD +ATOM 2078 N LYS A 407 12.487 31.313 -6.957 1.00 26.25 -0.346 N +ATOM 2079 CA LYS A 407 13.799 31.320 -6.320 1.00 25.56 0.176 C +ATOM 2080 C LYS A 407 13.636 30.951 -4.841 1.00 23.74 0.241 C +ATOM 2081 O LYS A 407 12.912 31.615 -4.100 1.00 24.10 -0.271 OA +ATOM 2082 CB LYS A 407 14.435 32.722 -6.429 1.00 27.02 0.035 C +ATOM 2083 CG LYS A 407 15.230 32.890 -7.730 1.00 30.26 0.004 C +ATOM 2084 CD LYS A 407 16.005 34.213 -7.801 1.00 35.65 0.027 C +ATOM 2085 CE LYS A 407 16.978 34.266 -8.988 1.00 38.21 0.229 C +ATOM 2086 NZ LYS A 407 16.265 34.315 -10.276 1.00 41.17 -0.079 N +ATOM 2087 H LYS A 407 11.998 32.197 -7.020 1.00 26.25 0.163 HD +ATOM 2088 HZ1 LYS A 407 15.685 35.141 -10.310 1.00 41.17 0.274 HD +ATOM 2089 HZ2 LYS A 407 16.931 34.341 -11.034 1.00 41.17 0.274 HD +ATOM 2090 HZ3 LYS A 407 15.678 33.497 -10.373 1.00 41.17 0.274 HD +ATOM 2091 N VAL A 408 14.318 29.871 -4.446 1.00 21.76 -0.346 N +ATOM 2092 CA VAL A 408 14.418 29.365 -3.088 1.00 19.50 0.180 C +ATOM 2093 C VAL A 408 15.865 29.597 -2.648 1.00 18.80 0.241 C +ATOM 2094 O VAL A 408 16.802 29.151 -3.311 1.00 18.56 -0.271 OA +ATOM 2095 CB VAL A 408 14.090 27.850 -3.061 1.00 18.94 0.009 C +ATOM 2096 CG1 VAL A 408 14.160 27.283 -1.629 1.00 17.90 0.012 C +ATOM 2097 CG2 VAL A 408 12.717 27.541 -3.686 1.00 18.28 0.012 C +ATOM 2098 H VAL A 408 14.844 29.364 -5.147 1.00 21.76 0.163 HD +ATOM 2099 N GLU A 409 16.030 30.259 -1.500 1.00 17.73 -0.346 N +ATOM 2100 CA GLU A 409 17.308 30.506 -0.852 1.00 18.43 0.177 C +ATOM 2101 C GLU A 409 17.661 29.269 -0.015 1.00 16.46 0.241 C +ATOM 2102 O GLU A 409 16.982 28.948 0.956 1.00 16.33 -0.271 OA +ATOM 2103 CB GLU A 409 17.113 31.700 0.100 1.00 18.70 0.045 C +ATOM 2104 CG GLU A 409 17.040 33.054 -0.630 1.00 22.56 0.116 C +ATOM 2105 CD GLU A 409 16.464 34.171 0.243 1.00 24.66 0.172 C +ATOM 2106 OE1 GLU A 409 16.763 34.180 1.458 1.00 30.45 -0.648 OA +ATOM 2107 OE2 GLU A 409 15.727 35.005 -0.326 1.00 31.17 -0.648 OA +ATOM 2108 H GLU A 409 15.204 30.588 -1.017 1.00 17.73 0.163 HD +ATOM 2109 N LEU A 410 18.734 28.567 -0.390 1.00 14.87 -0.346 N +ATOM 2110 CA LEU A 410 19.269 27.438 0.359 1.00 15.45 0.177 C +ATOM 2111 C LEU A 410 20.393 27.976 1.242 1.00 14.96 0.241 C +ATOM 2112 O LEU A 410 21.301 28.646 0.755 1.00 15.80 -0.271 OA +ATOM 2113 CB LEU A 410 19.850 26.391 -0.616 1.00 15.37 0.038 C +ATOM 2114 CG LEU A 410 18.870 25.896 -1.704 1.00 16.34 -0.020 C +ATOM 2115 CD1 LEU A 410 19.498 24.736 -2.492 1.00 17.29 0.009 C +ATOM 2116 CD2 LEU A 410 17.489 25.495 -1.158 1.00 17.41 0.009 C +ATOM 2117 H LEU A 410 19.267 28.882 -1.192 1.00 14.87 0.163 HD +ATOM 2118 N TYR A 411 20.311 27.679 2.540 1.00 13.76 -0.346 N +ATOM 2119 CA TYR A 411 21.304 28.004 3.551 1.00 13.71 0.180 C +ATOM 2120 C TYR A 411 21.636 26.721 4.308 1.00 12.94 0.241 C +ATOM 2121 O TYR A 411 20.744 25.944 4.645 1.00 12.89 -0.271 OA +ATOM 2122 CB TYR A 411 20.782 29.112 4.486 1.00 14.79 0.073 C +ATOM 2123 CG TYR A 411 20.916 30.530 3.957 1.00 16.92 -0.056 A +ATOM 2124 CD1 TYR A 411 22.005 31.330 4.363 1.00 16.58 0.010 A +ATOM 2125 CD2 TYR A 411 19.948 31.066 3.081 1.00 17.88 0.010 A +ATOM 2126 CE1 TYR A 411 22.130 32.652 3.893 1.00 20.67 0.037 A +ATOM 2127 CE2 TYR A 411 20.075 32.390 2.614 1.00 21.34 0.037 A +ATOM 2128 CZ TYR A 411 21.167 33.180 3.013 1.00 19.99 0.065 A +ATOM 2129 OH TYR A 411 21.287 34.456 2.546 1.00 23.33 -0.361 OA +ATOM 2130 H TYR A 411 19.515 27.136 2.853 1.00 13.76 0.163 HD +ATOM 2131 HH TYR A 411 22.072 34.889 2.844 1.00 23.33 0.217 HD +ATOM 2132 N VAL A 412 22.925 26.513 4.585 1.00 11.99 -0.346 N +ATOM 2133 CA VAL A 412 23.452 25.410 5.378 1.00 11.37 0.180 C +ATOM 2134 C VAL A 412 24.355 26.040 6.443 1.00 11.59 0.241 C +ATOM 2135 O VAL A 412 25.210 26.850 6.098 1.00 12.78 -0.271 OA +ATOM 2136 CB VAL A 412 24.110 24.336 4.469 1.00 11.44 0.009 C +ATOM 2137 CG1 VAL A 412 23.095 23.665 3.530 1.00 11.89 0.012 C +ATOM 2138 CG2 VAL A 412 25.300 24.846 3.643 1.00 11.93 0.012 C +ATOM 2139 H VAL A 412 23.601 27.192 4.258 1.00 11.99 0.163 HD +ATOM 2140 N PHE A 413 24.120 25.723 7.725 1.00 11.03 -0.346 N +ATOM 2141 CA PHE A 413 24.753 26.348 8.886 1.00 11.38 0.180 C +ATOM 2142 C PHE A 413 25.521 25.327 9.725 1.00 10.82 0.241 C +ATOM 2143 O PHE A 413 25.124 24.168 9.845 1.00 10.58 -0.271 OA +ATOM 2144 CB PHE A 413 23.687 26.992 9.793 1.00 11.65 0.073 C +ATOM 2145 CG PHE A 413 23.005 28.222 9.232 1.00 14.34 -0.056 A +ATOM 2146 CD1 PHE A 413 23.607 29.491 9.363 1.00 14.79 0.007 A +ATOM 2147 CD2 PHE A 413 21.754 28.105 8.597 1.00 12.45 0.007 A +ATOM 2148 CE1 PHE A 413 22.957 30.638 8.867 1.00 17.90 0.001 A +ATOM 2149 CE2 PHE A 413 21.109 29.250 8.101 1.00 14.22 0.001 A +ATOM 2150 CZ PHE A 413 21.709 30.515 8.233 1.00 16.28 0.000 A +ATOM 2151 H PHE A 413 23.374 25.066 7.917 1.00 11.03 0.163 HD +ATOM 2152 N SER A 414 26.592 25.813 10.360 1.00 11.78 -0.344 N +ATOM 2153 CA SER A 414 27.364 25.161 11.411 1.00 12.33 0.200 C +ATOM 2154 C SER A 414 28.119 26.230 12.207 1.00 12.71 0.243 C +ATOM 2155 O SER A 414 28.136 27.400 11.828 1.00 14.11 -0.271 OA +ATOM 2156 CB SER A 414 28.274 24.057 10.827 1.00 13.06 0.199 C +ATOM 2157 OG SER A 414 29.416 24.575 10.173 1.00 14.20 -0.398 OA +ATOM 2158 H SER A 414 26.848 26.774 10.173 1.00 11.78 0.163 HD +ATOM 2159 HG SER A 414 29.938 25.057 10.799 1.00 14.20 0.209 HD +ATOM 2160 N GLU A 415 28.819 25.808 13.269 1.00 13.17 -0.346 N +ATOM 2161 CA GLU A 415 29.885 26.567 13.923 1.00 14.16 0.177 C +ATOM 2162 C GLU A 415 31.021 26.890 12.927 1.00 14.83 0.241 C +ATOM 2163 O GLU A 415 31.234 26.156 11.958 1.00 15.31 -0.271 OA +ATOM 2164 CB GLU A 415 30.376 25.750 15.136 1.00 14.40 0.045 C +ATOM 2165 CG GLU A 415 31.369 24.612 14.811 1.00 16.18 0.116 C +ATOM 2166 CD GLU A 415 31.832 23.881 16.062 1.00 16.13 0.172 C +ATOM 2167 OE1 GLU A 415 32.580 24.502 16.849 1.00 18.74 -0.648 OA +ATOM 2168 OE2 GLU A 415 31.453 22.700 16.206 1.00 15.42 -0.648 OA +ATOM 2169 H GLU A 415 28.707 24.843 13.555 1.00 13.17 0.163 HD +ATOM 2170 N GLU A 416 31.743 27.989 13.185 1.00 15.16 -0.346 N +ATOM 2171 CA GLU A 416 32.819 28.538 12.358 1.00 16.43 0.177 C +ATOM 2172 C GLU A 416 33.938 27.550 11.985 1.00 16.16 0.241 C +ATOM 2173 O GLU A 416 34.413 27.582 10.850 1.00 16.29 -0.271 OA +ATOM 2174 CB GLU A 416 33.360 29.817 13.032 1.00 17.65 0.045 C +ATOM 2175 CG GLU A 416 34.539 30.495 12.298 1.00 22.40 0.116 C +ATOM 2176 CD GLU A 416 34.960 31.841 12.893 1.00 28.00 0.172 C +ATOM 2177 OE1 GLU A 416 34.254 32.344 13.796 1.00 28.25 -0.648 OA +ATOM 2178 OE2 GLU A 416 35.994 32.356 12.414 1.00 31.57 -0.648 OA +ATOM 2179 H GLU A 416 31.510 28.514 14.020 1.00 15.16 0.163 HD +ATOM 2180 N LYS A 417 34.333 26.663 12.917 1.00 16.44 -0.346 N +ATOM 2181 CA LYS A 417 35.400 25.674 12.741 1.00 17.46 0.176 C +ATOM 2182 C LYS A 417 35.130 24.666 11.605 1.00 17.29 0.241 C +ATOM 2183 O LYS A 417 36.085 24.195 10.987 1.00 17.64 -0.271 OA +ATOM 2184 CB LYS A 417 35.630 24.932 14.080 1.00 16.54 0.035 C +ATOM 2185 CG LYS A 417 36.854 23.991 14.070 1.00 18.03 0.004 C +ATOM 2186 CD LYS A 417 37.078 23.246 15.391 1.00 19.25 0.027 C +ATOM 2187 CE LYS A 417 38.223 22.229 15.269 1.00 25.67 0.229 C +ATOM 2188 NZ LYS A 417 38.352 21.396 16.476 1.00 27.95 -0.079 N +ATOM 2189 H LYS A 417 33.899 26.712 13.830 1.00 16.44 0.163 HD +ATOM 2190 HZ1 LYS A 417 39.110 20.739 16.344 1.00 27.95 0.274 HD +ATOM 2191 HZ2 LYS A 417 38.553 21.975 17.278 1.00 27.95 0.274 HD +ATOM 2192 HZ3 LYS A 417 37.494 20.883 16.627 1.00 27.95 0.274 HD +ATOM 2193 N TYR A 418 33.855 24.352 11.318 1.00 16.29 -0.346 N +ATOM 2194 CA TYR A 418 33.444 23.288 10.400 1.00 16.15 0.180 C +ATOM 2195 C TYR A 418 32.566 23.787 9.243 1.00 16.90 0.241 C +ATOM 2196 O TYR A 418 31.911 22.969 8.597 1.00 16.61 -0.271 OA +ATOM 2197 CB TYR A 418 32.757 22.161 11.198 1.00 14.79 0.073 C +ATOM 2198 CG TYR A 418 33.578 21.542 12.318 1.00 14.94 -0.056 A +ATOM 2199 CD1 TYR A 418 34.859 21.007 12.066 1.00 15.59 0.010 A +ATOM 2200 CD2 TYR A 418 33.047 21.484 13.622 1.00 15.00 0.010 A +ATOM 2201 CE1 TYR A 418 35.604 20.429 13.112 1.00 15.62 0.037 A +ATOM 2202 CE2 TYR A 418 33.793 20.915 14.671 1.00 14.20 0.037 A +ATOM 2203 CZ TYR A 418 35.073 20.389 14.416 1.00 16.54 0.065 A +ATOM 2204 OH TYR A 418 35.802 19.847 15.432 1.00 16.41 -0.361 OA +ATOM 2205 H TYR A 418 33.122 24.819 11.835 1.00 16.29 0.163 HD +ATOM 2206 HH TYR A 418 35.386 19.949 16.279 1.00 16.41 0.217 HD +ATOM 2207 N VAL A 419 32.550 25.102 8.950 1.00 18.06 -0.346 N +ATOM 2208 CA VAL A 419 31.770 25.696 7.854 1.00 19.47 0.180 C +ATOM 2209 C VAL A 419 32.214 25.209 6.455 1.00 19.43 0.241 C +ATOM 2210 O VAL A 419 31.381 25.109 5.556 1.00 20.48 -0.271 OA +ATOM 2211 CB VAL A 419 31.787 27.244 7.966 1.00 20.77 0.009 C +ATOM 2212 CG1 VAL A 419 33.157 27.887 7.678 1.00 22.03 0.012 C +ATOM 2213 CG2 VAL A 419 30.696 27.903 7.098 1.00 22.23 0.012 C +ATOM 2214 H VAL A 419 33.113 25.725 9.511 1.00 18.06 0.163 HD +ATOM 2215 N SER A 420 33.501 24.856 6.285 1.00 19.43 -0.344 N +ATOM 2216 CA SER A 420 34.053 24.286 5.054 1.00 21.06 0.200 C +ATOM 2217 C SER A 420 33.544 22.860 4.761 1.00 20.02 0.243 C +ATOM 2218 O SER A 420 33.567 22.435 3.606 1.00 21.82 -0.271 OA +ATOM 2219 CB SER A 420 35.597 24.302 5.127 1.00 22.43 0.199 C +ATOM 2220 OG SER A 420 36.124 23.372 6.057 1.00 26.74 -0.398 OA +ATOM 2221 H SER A 420 34.134 24.970 7.067 1.00 19.43 0.163 HD +ATOM 2222 HG SER A 420 35.954 23.690 6.933 1.00 26.74 0.209 HD +ATOM 2223 N LYS A 421 33.060 22.138 5.786 1.00 16.89 -0.346 N +ATOM 2224 CA LYS A 421 32.550 20.775 5.674 1.00 14.80 0.176 C +ATOM 2225 C LYS A 421 31.067 20.732 5.246 1.00 13.37 0.241 C +ATOM 2226 O LYS A 421 30.535 19.638 5.095 1.00 12.21 -0.271 OA +ATOM 2227 CB LYS A 421 32.680 20.067 7.044 1.00 14.12 0.035 C +ATOM 2228 CG LYS A 421 34.123 19.964 7.576 1.00 14.98 0.004 C +ATOM 2229 CD LYS A 421 34.259 19.117 8.854 1.00 14.92 0.027 C +ATOM 2230 CE LYS A 421 34.039 17.609 8.645 1.00 15.53 0.229 C +ATOM 2231 NZ LYS A 421 34.226 16.865 9.899 1.00 17.79 -0.079 N +ATOM 2232 H LYS A 421 33.047 22.560 6.704 1.00 16.89 0.163 HD +ATOM 2233 HZ1 LYS A 421 33.603 17.224 10.612 1.00 17.79 0.274 HD +ATOM 2234 HZ2 LYS A 421 34.037 15.881 9.755 1.00 17.79 0.274 HD +ATOM 2235 HZ3 LYS A 421 35.179 16.980 10.234 1.00 17.79 0.274 HD +ATOM 2236 N LEU A 422 30.392 21.875 5.032 1.00 12.57 -0.346 N +ATOM 2237 CA LEU A 422 28.967 21.948 4.683 1.00 13.45 0.177 C +ATOM 2238 C LEU A 422 28.674 21.835 3.173 1.00 11.97 0.241 C +ATOM 2239 O LEU A 422 27.499 21.757 2.811 1.00 11.76 -0.271 OA +ATOM 2240 CB LEU A 422 28.437 23.334 5.116 1.00 15.22 0.038 C +ATOM 2241 CG LEU A 422 28.192 23.509 6.624 1.00 17.86 -0.020 C +ATOM 2242 CD1 LEU A 422 28.094 25.004 6.951 1.00 20.56 0.009 C +ATOM 2243 CD2 LEU A 422 26.909 22.788 7.074 1.00 20.92 0.009 C +ATOM 2244 H LEU A 422 30.879 22.750 5.169 1.00 12.57 0.163 HD +ATOM 2245 N GLN A 423 29.690 21.868 2.289 1.00 13.39 -0.346 N +ATOM 2246 CA GLN A 423 29.501 21.979 0.837 1.00 13.37 0.177 C +ATOM 2247 C GLN A 423 28.768 20.781 0.207 1.00 12.12 0.241 C +ATOM 2248 O GLN A 423 27.898 20.998 -0.633 1.00 12.10 -0.271 OA +ATOM 2249 CB GLN A 423 30.857 22.245 0.138 1.00 15.04 0.044 C +ATOM 2250 CG GLN A 423 30.798 22.428 -1.399 1.00 19.05 0.105 C +ATOM 2251 CD GLN A 423 29.858 23.551 -1.856 1.00 25.03 0.215 C +ATOM 2252 NE2 GLN A 423 29.151 23.352 -2.967 1.00 26.65 -0.370 N +ATOM 2253 OE1 GLN A 423 29.758 24.592 -1.213 1.00 24.44 -0.274 OA +ATOM 2254 H GLN A 423 30.635 21.911 2.642 1.00 13.39 0.163 HD +ATOM 2255 1HE2 GLN A 423 29.230 22.489 -3.487 1.00 26.65 0.159 HD +ATOM 2256 2HE2 GLN A 423 28.534 24.076 -3.309 1.00 26.65 0.159 HD +ATOM 2257 N TRP A 424 29.069 19.538 0.624 1.00 12.09 -0.346 N +ATOM 2258 CA TRP A 424 28.400 18.335 0.126 1.00 11.02 0.181 C +ATOM 2259 C TRP A 424 26.911 18.270 0.525 1.00 10.43 0.241 C +ATOM 2260 O TRP A 424 26.107 17.797 -0.273 1.00 10.62 -0.271 OA +ATOM 2261 CB TRP A 424 29.156 17.071 0.589 1.00 11.01 0.075 C +ATOM 2262 CG TRP A 424 28.503 15.768 0.226 1.00 9.97 -0.028 A +ATOM 2263 CD1 TRP A 424 28.097 14.825 1.105 1.00 10.96 0.096 A +ATOM 2264 CD2 TRP A 424 28.108 15.284 -1.095 1.00 10.91 -0.002 A +ATOM 2265 CE2 TRP A 424 27.481 14.011 -0.938 1.00 9.68 0.042 A +ATOM 2266 CE3 TRP A 424 28.200 15.792 -2.414 1.00 11.69 0.014 A +ATOM 2267 NE1 TRP A 424 27.494 13.790 0.421 1.00 10.98 -0.365 N +ATOM 2268 CZ2 TRP A 424 26.982 13.276 -2.027 1.00 10.94 0.030 A +ATOM 2269 CZ3 TRP A 424 27.696 15.068 -3.514 1.00 11.36 0.001 A +ATOM 2270 CH2 TRP A 424 27.090 13.811 -3.323 1.00 10.20 0.002 A +ATOM 2271 H TRP A 424 29.802 19.422 1.313 1.00 12.09 0.163 HD +ATOM 2272 HE1 TRP A 424 27.107 12.975 0.880 1.00 10.98 0.165 HD +ATOM 2273 N ALA A 425 26.526 18.786 1.703 1.00 9.81 -0.346 N +ATOM 2274 CA ALA A 425 25.137 18.875 2.155 1.00 10.92 0.172 C +ATOM 2275 C ALA A 425 24.314 19.898 1.360 1.00 10.78 0.240 C +ATOM 2276 O ALA A 425 23.115 19.693 1.176 1.00 10.80 -0.271 OA +ATOM 2277 CB ALA A 425 25.110 19.279 3.630 1.00 10.15 0.042 C +ATOM 2278 H ALA A 425 27.244 19.137 2.325 1.00 9.81 0.163 HD +ATOM 2279 N LEU A 426 24.959 20.964 0.857 1.00 10.37 -0.346 N +ATOM 2280 CA LEU A 426 24.353 21.957 -0.027 1.00 12.20 0.177 C +ATOM 2281 C LEU A 426 24.131 21.365 -1.434 1.00 11.97 0.241 C +ATOM 2282 O LEU A 426 23.096 21.644 -2.035 1.00 11.65 -0.271 OA +ATOM 2283 CB LEU A 426 25.281 23.194 -0.071 1.00 13.72 0.038 C +ATOM 2284 CG LEU A 426 24.747 24.449 -0.800 1.00 15.66 -0.020 C +ATOM 2285 CD1 LEU A 426 23.412 24.962 -0.234 1.00 15.33 0.009 C +ATOM 2286 CD2 LEU A 426 25.798 25.568 -0.749 1.00 14.09 0.009 C +ATOM 2287 H LEU A 426 25.943 21.065 1.063 1.00 10.37 0.163 HD +ATOM 2288 N GLU A 427 25.035 20.490 -1.918 1.00 12.84 -0.346 N +ATOM 2289 CA GLU A 427 24.885 19.744 -3.174 1.00 13.55 0.177 C +ATOM 2290 C GLU A 427 23.821 18.641 -3.060 1.00 12.84 0.241 C +ATOM 2291 O GLU A 427 23.087 18.414 -4.021 1.00 12.78 -0.271 OA +ATOM 2292 CB GLU A 427 26.221 19.064 -3.557 1.00 14.25 0.045 C +ATOM 2293 CG GLU A 427 27.380 20.022 -3.890 1.00 17.70 0.116 C +ATOM 2294 CD GLU A 427 27.145 20.923 -5.103 1.00 23.57 0.172 C +ATOM 2295 OE1 GLU A 427 26.272 20.597 -5.935 1.00 23.46 -0.648 OA +ATOM 2296 OE2 GLU A 427 27.873 21.932 -5.194 1.00 26.50 -0.648 OA +ATOM 2297 H GLU A 427 25.864 20.308 -1.368 1.00 12.84 0.163 HD +ATOM 2298 N CYS A 428 23.709 17.988 -1.890 1.00 12.35 -0.345 N +ATOM 2299 CA CYS A 428 22.704 16.966 -1.598 1.00 11.97 0.185 C +ATOM 2300 C CYS A 428 21.295 17.557 -1.548 1.00 10.58 0.241 C +ATOM 2301 O CYS A 428 20.360 16.888 -1.975 1.00 11.46 -0.271 OA +ATOM 2302 CB CYS A 428 22.985 16.298 -0.240 1.00 10.88 0.105 C +ATOM 2303 SG CYS A 428 24.384 15.172 -0.392 1.00 12.54 -0.180 SA +ATOM 2304 H CYS A 428 24.367 18.212 -1.155 1.00 12.35 0.163 HD +ATOM 2305 HG CYS A 428 25.296 16.117 -0.649 1.00 12.54 0.101 HD +ATOM 2306 N LEU A 429 21.144 18.805 -1.068 1.00 10.29 -0.346 N +ATOM 2307 CA LEU A 429 19.861 19.494 -0.989 1.00 10.83 0.177 C +ATOM 2308 C LEU A 429 19.349 19.910 -2.378 1.00 10.87 0.241 C +ATOM 2309 O LEU A 429 18.153 19.783 -2.631 1.00 11.71 -0.271 OA +ATOM 2310 CB LEU A 429 19.994 20.730 -0.073 1.00 11.69 0.038 C +ATOM 2311 CG LEU A 429 18.662 21.460 0.220 1.00 11.42 -0.020 C +ATOM 2312 CD1 LEU A 429 17.613 20.514 0.830 1.00 14.03 0.009 C +ATOM 2313 CD2 LEU A 429 18.889 22.680 1.125 1.00 12.33 0.009 C +ATOM 2314 H LEU A 429 21.958 19.292 -0.718 1.00 10.29 0.163 HD +ATOM 2315 N LYS A 430 20.241 20.328 -3.294 1.00 10.55 -0.346 N +ATOM 2316 CA LYS A 430 19.907 20.629 -4.691 1.00 12.67 0.176 C +ATOM 2317 C LYS A 430 19.486 19.362 -5.454 1.00 11.64 0.241 C +ATOM 2318 O LYS A 430 18.567 19.423 -6.269 1.00 11.57 -0.271 OA +ATOM 2319 CB LYS A 430 21.135 21.209 -5.413 1.00 13.89 0.035 C +ATOM 2320 CG LYS A 430 21.591 22.591 -4.933 1.00 17.12 0.004 C +ATOM 2321 CD LYS A 430 22.881 23.010 -5.655 1.00 21.77 0.027 C +ATOM 2322 CE LYS A 430 23.708 24.038 -4.884 1.00 28.32 0.229 C +ATOM 2323 NZ LYS A 430 24.914 24.404 -5.643 1.00 30.44 -0.079 N +ATOM 2324 H LYS A 430 21.209 20.412 -3.017 1.00 10.55 0.163 HD +ATOM 2325 HZ1 LYS A 430 25.511 24.994 -5.077 1.00 30.44 0.274 HD +ATOM 2326 HZ2 LYS A 430 25.427 23.567 -5.886 1.00 30.44 0.274 HD +ATOM 2327 HZ3 LYS A 430 24.648 24.897 -6.483 1.00 30.44 0.274 HD +ATOM 2328 N LYS A 431 20.137 18.219 -5.166 1.00 11.41 -0.346 N +ATOM 2329 CA LYS A 431 19.817 16.902 -5.714 1.00 11.49 0.176 C +ATOM 2330 C LYS A 431 18.455 16.394 -5.214 1.00 11.43 0.241 C +ATOM 2331 O LYS A 431 17.720 15.786 -5.989 1.00 12.36 -0.271 OA +ATOM 2332 CB LYS A 431 20.907 15.889 -5.297 1.00 11.15 0.035 C +ATOM 2333 CG LYS A 431 22.193 15.959 -6.125 1.00 13.84 0.004 C +ATOM 2334 CD LYS A 431 23.274 15.011 -5.574 1.00 13.62 0.027 C +ATOM 2335 CE LYS A 431 24.554 14.991 -6.419 1.00 23.71 0.229 C +ATOM 2336 NZ LYS A 431 25.269 16.273 -6.326 1.00 25.86 -0.079 N +ATOM 2337 H LYS A 431 20.888 18.263 -4.490 1.00 11.41 0.163 HD +ATOM 2338 HZ1 LYS A 431 24.688 17.023 -6.678 1.00 25.86 0.274 HD +ATOM 2339 HZ2 LYS A 431 25.498 16.460 -5.361 1.00 25.86 0.274 HD +ATOM 2340 HZ3 LYS A 431 26.126 16.244 -6.862 1.00 25.86 0.274 HD +ATOM 2341 N SER A 432 18.114 16.657 -3.941 1.00 10.49 -0.344 N +ATOM 2342 CA SER A 432 16.876 16.221 -3.291 1.00 10.01 0.200 C +ATOM 2343 C SER A 432 15.667 16.990 -3.842 1.00 10.55 0.243 C +ATOM 2344 O SER A 432 14.631 16.386 -4.113 1.00 10.91 -0.271 OA +ATOM 2345 CB SER A 432 16.971 16.495 -1.779 1.00 9.48 0.199 C +ATOM 2346 OG SER A 432 18.007 15.737 -1.202 1.00 12.28 -0.398 OA +ATOM 2347 H SER A 432 18.778 17.163 -3.371 1.00 10.49 0.163 HD +ATOM 2348 HG SER A 432 18.836 16.055 -1.536 1.00 12.28 0.209 HD +ATOM 2349 N MET A 433 15.832 18.306 -4.062 1.00 10.54 -0.346 N +ATOM 2350 CA MET A 433 14.855 19.195 -4.686 1.00 12.43 0.177 C +ATOM 2351 C MET A 433 14.636 18.835 -6.160 1.00 12.97 0.241 C +ATOM 2352 O MET A 433 13.497 18.800 -6.619 1.00 13.58 -0.271 OA +ATOM 2353 CB MET A 433 15.367 20.643 -4.582 1.00 12.24 0.045 C +ATOM 2354 CG MET A 433 15.270 21.208 -3.162 1.00 12.75 0.076 C +ATOM 2355 SD MET A 433 16.028 22.833 -2.971 1.00 15.68 -0.173 SA +ATOM 2356 CE MET A 433 14.595 23.864 -3.370 1.00 17.34 0.089 C +ATOM 2357 H MET A 433 16.717 18.719 -3.801 1.00 10.54 0.163 HD +ATOM 2358 N ALA A 434 15.716 18.508 -6.886 1.00 13.63 -0.346 N +ATOM 2359 CA ALA A 434 15.661 18.075 -8.275 1.00 13.89 0.172 C +ATOM 2360 C ALA A 434 14.976 16.713 -8.442 1.00 14.11 0.240 C +ATOM 2361 O ALA A 434 14.191 16.564 -9.371 1.00 14.36 -0.271 OA +ATOM 2362 CB ALA A 434 17.080 18.035 -8.854 1.00 13.68 0.042 C +ATOM 2363 H ALA A 434 16.626 18.568 -6.449 1.00 13.63 0.163 HD +ATOM 2364 N PHE A 435 15.209 15.747 -7.537 1.00 13.00 -0.346 N +ATOM 2365 CA PHE A 435 14.603 14.417 -7.609 1.00 12.19 0.180 C +ATOM 2366 C PHE A 435 13.095 14.437 -7.322 1.00 11.79 0.241 C +ATOM 2367 O PHE A 435 12.357 13.734 -8.011 1.00 12.29 -0.271 OA +ATOM 2368 CB PHE A 435 15.300 13.452 -6.632 1.00 11.93 0.073 C +ATOM 2369 CG PHE A 435 14.770 12.028 -6.726 1.00 11.75 -0.056 A +ATOM 2370 CD1 PHE A 435 15.178 11.198 -7.792 1.00 11.44 0.007 A +ATOM 2371 CD2 PHE A 435 13.811 11.558 -5.802 1.00 13.26 0.007 A +ATOM 2372 CE1 PHE A 435 14.608 9.921 -7.949 1.00 13.37 0.001 A +ATOM 2373 CE2 PHE A 435 13.242 10.280 -5.960 1.00 15.62 0.001 A +ATOM 2374 CZ PHE A 435 13.632 9.469 -7.042 1.00 13.73 0.000 A +ATOM 2375 H PHE A 435 15.856 15.931 -6.782 1.00 13.00 0.163 HD +ATOM 2376 N ASP A 436 12.627 15.232 -6.342 1.00 12.20 -0.345 N +ATOM 2377 CA ASP A 436 11.200 15.337 -6.022 1.00 13.27 0.186 C +ATOM 2378 C ASP A 436 10.411 16.054 -7.131 1.00 14.13 0.241 C +ATOM 2379 O ASP A 436 9.245 15.732 -7.342 1.00 13.82 -0.271 OA +ATOM 2380 CB ASP A 436 11.004 16.068 -4.668 1.00 14.07 0.147 C +ATOM 2381 CG ASP A 436 9.939 15.462 -3.743 1.00 16.99 0.175 C +ATOM 2382 OD1 ASP A 436 9.351 14.411 -4.080 1.00 17.69 -0.648 OA +ATOM 2383 OD2 ASP A 436 9.727 16.064 -2.670 1.00 14.56 -0.648 OA +ATOM 2384 H ASP A 436 13.278 15.790 -5.805 1.00 12.20 0.163 HD +ATOM 2385 N GLU A 437 11.057 16.967 -7.878 1.00 13.97 -0.346 N +ATOM 2386 CA GLU A 437 10.495 17.635 -9.052 1.00 15.87 0.177 C +ATOM 2387 C GLU A 437 10.462 16.695 -10.265 1.00 16.72 0.241 C +ATOM 2388 O GLU A 437 9.479 16.713 -11.003 1.00 17.47 -0.271 OA +ATOM 2389 CB GLU A 437 11.390 18.834 -9.422 1.00 16.45 0.045 C +ATOM 2390 CG GLU A 437 11.133 20.058 -8.532 1.00 15.53 0.116 C +ATOM 2391 CD GLU A 437 12.071 21.231 -8.804 1.00 17.58 0.172 C +ATOM 2392 OE1 GLU A 437 13.133 21.027 -9.435 1.00 18.71 -0.648 OA +ATOM 2393 OE2 GLU A 437 11.703 22.344 -8.378 1.00 16.73 -0.648 OA +ATOM 2394 H GLU A 437 12.009 17.196 -7.629 1.00 13.97 0.163 HD +ATOM 2395 N ASP A 438 11.517 15.893 -10.490 1.00 16.25 -0.346 N +ATOM 2396 CA ASP A 438 11.661 15.051 -11.681 1.00 17.55 0.186 C +ATOM 2397 C ASP A 438 10.886 13.728 -11.566 1.00 17.27 0.241 C +ATOM 2398 O ASP A 438 10.262 13.326 -12.549 1.00 18.84 -0.271 OA +ATOM 2399 CB ASP A 438 13.154 14.751 -11.959 1.00 18.33 0.147 C +ATOM 2400 CG ASP A 438 13.994 15.980 -12.343 1.00 19.38 0.175 C +ATOM 2401 OD1 ASP A 438 13.406 17.014 -12.737 1.00 21.43 -0.648 OA +ATOM 2402 OD2 ASP A 438 15.235 15.872 -12.236 1.00 21.79 -0.648 OA +ATOM 2403 H ASP A 438 12.301 15.935 -9.853 1.00 16.25 0.163 HD +ATOM 2404 N TYR A 439 10.885 13.066 -10.396 1.00 15.67 -0.346 N +ATOM 2405 CA TYR A 439 10.171 11.805 -10.193 1.00 15.77 0.180 C +ATOM 2406 C TYR A 439 8.704 12.074 -9.807 1.00 15.71 0.241 C +ATOM 2407 O TYR A 439 7.813 11.507 -10.435 1.00 15.97 -0.271 OA +ATOM 2408 CB TYR A 439 10.869 10.971 -9.091 1.00 14.78 0.073 C +ATOM 2409 CG TYR A 439 10.419 9.515 -9.018 1.00 16.85 -0.056 A +ATOM 2410 CD1 TYR A 439 11.138 8.504 -9.692 1.00 15.72 0.010 A +ATOM 2411 CD2 TYR A 439 9.265 9.165 -8.291 1.00 15.51 0.010 A +ATOM 2412 CE1 TYR A 439 10.700 7.164 -9.637 1.00 17.20 0.037 A +ATOM 2413 CE2 TYR A 439 8.827 7.830 -8.229 1.00 18.40 0.037 A +ATOM 2414 CZ TYR A 439 9.544 6.826 -8.904 1.00 19.00 0.065 A +ATOM 2415 OH TYR A 439 9.112 5.533 -8.850 1.00 19.69 -0.361 OA +ATOM 2416 H TYR A 439 11.411 13.441 -9.615 1.00 15.67 0.163 HD +ATOM 2417 HH TYR A 439 8.346 5.423 -8.308 1.00 19.69 0.217 HD +ATOM 2418 N PHE A 440 8.439 12.923 -8.799 1.00 14.82 -0.346 N +ATOM 2419 CA PHE A 440 7.100 13.088 -8.222 1.00 14.98 0.180 C +ATOM 2420 C PHE A 440 6.368 14.366 -8.678 1.00 16.20 0.241 C +ATOM 2421 O PHE A 440 5.180 14.495 -8.385 1.00 15.36 -0.271 OA +ATOM 2422 CB PHE A 440 7.218 13.072 -6.683 1.00 13.92 0.073 C +ATOM 2423 CG PHE A 440 7.587 11.722 -6.097 1.00 14.39 -0.056 A +ATOM 2424 CD1 PHE A 440 6.622 10.696 -6.064 1.00 17.22 0.007 A +ATOM 2425 CD2 PHE A 440 8.877 11.481 -5.579 1.00 14.48 0.007 A +ATOM 2426 CE1 PHE A 440 6.922 9.453 -5.479 1.00 18.27 0.001 A +ATOM 2427 CE2 PHE A 440 9.185 10.230 -5.007 1.00 15.49 0.001 A +ATOM 2428 CZ PHE A 440 8.205 9.219 -4.948 1.00 14.69 0.000 A +ATOM 2429 H PHE A 440 9.207 13.392 -8.338 1.00 14.82 0.163 HD +ATOM 2430 N GLY A 441 7.022 15.297 -9.396 1.00 16.74 -0.351 N +ATOM 2431 CA GLY A 441 6.412 16.551 -9.860 1.00 17.91 0.225 C +ATOM 2432 C GLY A 441 6.218 17.614 -8.766 1.00 17.25 0.236 C +ATOM 2433 O GLY A 441 5.457 18.558 -8.970 1.00 18.28 -0.272 OA +ATOM 2434 H GLY A 441 7.998 15.148 -9.609 1.00 16.74 0.163 HD +ATOM 2435 N LEU A 442 6.858 17.431 -7.601 1.00 16.91 -0.346 N +ATOM 2436 CA LEU A 442 6.677 18.207 -6.382 1.00 16.45 0.177 C +ATOM 2437 C LEU A 442 7.813 19.225 -6.224 1.00 16.81 0.241 C +ATOM 2438 O LEU A 442 8.980 18.844 -6.193 1.00 17.49 -0.271 OA +ATOM 2439 CB LEU A 442 6.768 17.218 -5.199 1.00 16.29 0.038 C +ATOM 2440 CG LEU A 442 5.663 16.146 -5.132 1.00 17.73 -0.020 C +ATOM 2441 CD1 LEU A 442 5.824 15.312 -3.853 1.00 18.18 0.009 C +ATOM 2442 CD2 LEU A 442 4.241 16.711 -5.254 1.00 21.30 0.009 C +ATOM 2443 H LEU A 442 7.496 16.648 -7.538 1.00 16.91 0.163 HD +ATOM 2444 N GLU A 443 7.460 20.512 -6.102 1.00 16.77 -0.346 N +ATOM 2445 CA GLU A 443 8.373 21.638 -5.886 1.00 16.04 0.177 C +ATOM 2446 C GLU A 443 8.284 22.135 -4.439 1.00 15.98 0.241 C +ATOM 2447 O GLU A 443 7.236 22.026 -3.801 1.00 15.61 -0.271 OA +ATOM 2448 CB GLU A 443 7.912 22.816 -6.759 1.00 17.01 0.045 C +ATOM 2449 CG GLU A 443 8.021 22.544 -8.264 1.00 20.11 0.116 C +ATOM 2450 CD GLU A 443 7.268 23.615 -9.032 1.00 25.31 0.172 C +ATOM 2451 OE1 GLU A 443 6.023 23.519 -9.064 1.00 31.39 -0.648 OA +ATOM 2452 OE2 GLU A 443 7.944 24.523 -9.561 1.00 27.08 -0.648 OA +ATOM 2453 H GLU A 443 6.476 20.737 -6.185 1.00 16.77 0.163 HD +ATOM 2454 N TYR A 444 9.363 22.775 -3.960 1.00 15.16 -0.346 N +ATOM 2455 CA TYR A 444 9.411 23.467 -2.675 1.00 16.73 0.180 C +ATOM 2456 C TYR A 444 8.589 24.770 -2.736 1.00 18.60 0.241 C +ATOM 2457 O TYR A 444 8.685 25.532 -3.699 1.00 18.77 -0.271 OA +ATOM 2458 CB TYR A 444 10.879 23.788 -2.347 1.00 16.09 0.073 C +ATOM 2459 CG TYR A 444 11.102 24.200 -0.906 1.00 15.45 -0.056 A +ATOM 2460 CD1 TYR A 444 10.923 23.272 0.139 1.00 15.15 0.010 A +ATOM 2461 CD2 TYR A 444 11.467 25.523 -0.606 1.00 15.77 0.010 A +ATOM 2462 CE1 TYR A 444 11.087 23.674 1.479 1.00 16.35 0.037 A +ATOM 2463 CE2 TYR A 444 11.667 25.917 0.727 1.00 17.71 0.037 A +ATOM 2464 CZ TYR A 444 11.457 24.999 1.772 1.00 15.51 0.065 A +ATOM 2465 OH TYR A 444 11.607 25.391 3.068 1.00 16.29 -0.361 OA +ATOM 2466 H TYR A 444 10.182 22.841 -4.551 1.00 15.16 0.163 HD +ATOM 2467 HH TYR A 444 11.917 26.284 3.153 1.00 16.29 0.217 HD +ATOM 2468 N ASP A 445 7.759 24.988 -1.707 1.00 20.52 -0.345 N +ATOM 2469 CA ASP A 445 6.707 26.005 -1.654 1.00 23.59 0.186 C +ATOM 2470 C ASP A 445 7.103 27.275 -0.885 1.00 22.97 0.241 C +ATOM 2471 O ASP A 445 6.357 28.251 -0.961 1.00 22.87 -0.271 OA +ATOM 2472 CB ASP A 445 5.455 25.402 -0.961 1.00 24.03 0.147 C +ATOM 2473 CG ASP A 445 5.653 24.727 0.409 1.00 26.92 0.175 C +ATOM 2474 OD1 ASP A 445 6.474 23.785 0.487 1.00 19.03 -0.648 OA +ATOM 2475 OD2 ASP A 445 4.943 25.137 1.353 1.00 29.45 -0.648 OA +ATOM 2476 H ASP A 445 7.748 24.311 -0.954 1.00 20.52 0.163 HD +ATOM 2477 N LEU A 446 8.230 27.285 -0.154 1.00 22.81 -0.346 N +ATOM 2478 CA LEU A 446 8.657 28.410 0.685 1.00 20.87 0.177 C +ATOM 2479 C LEU A 446 9.862 29.121 0.046 1.00 20.20 0.241 C +ATOM 2480 O LEU A 446 10.530 28.577 -0.833 1.00 20.41 -0.271 OA +ATOM 2481 CB LEU A 446 9.001 27.907 2.111 1.00 20.91 0.038 C +ATOM 2482 CG LEU A 446 7.933 27.000 2.771 1.00 22.37 -0.020 C +ATOM 2483 CD1 LEU A 446 8.388 26.510 4.154 1.00 23.06 0.009 C +ATOM 2484 CD2 LEU A 446 6.570 27.698 2.886 1.00 24.66 0.009 C +ATOM 2485 H LEU A 446 8.808 26.457 -0.150 1.00 22.81 0.163 HD +ATOM 2486 N SER A 447 10.119 30.364 0.480 1.00 20.44 -0.344 N +ATOM 2487 CA SER A 447 11.168 31.246 -0.041 1.00 21.00 0.200 C +ATOM 2488 C SER A 447 12.585 30.832 0.385 1.00 19.78 0.243 C +ATOM 2489 O SER A 447 13.550 31.256 -0.250 1.00 20.39 -0.271 OA +ATOM 2490 CB SER A 447 10.924 32.668 0.503 1.00 22.21 0.199 C +ATOM 2491 OG SER A 447 9.854 33.278 -0.185 1.00 26.34 -0.398 OA +ATOM 2492 H SER A 447 9.513 30.758 1.189 1.00 20.44 0.163 HD +ATOM 2493 HG SER A 447 9.763 34.163 0.135 1.00 26.34 0.209 HD +ATOM 2494 N ARG A 448 12.713 30.033 1.455 1.00 18.18 -0.346 N +ATOM 2495 CA ARG A 448 13.979 29.668 2.071 1.00 17.01 0.176 C +ATOM 2496 C ARG A 448 13.906 28.292 2.740 1.00 15.90 0.241 C +ATOM 2497 O ARG A 448 12.849 27.894 3.228 1.00 16.54 -0.271 OA +ATOM 2498 CB ARG A 448 14.453 30.828 2.975 1.00 16.38 0.036 C +ATOM 2499 CG ARG A 448 15.761 30.604 3.748 1.00 17.17 0.023 C +ATOM 2500 CD ARG A 448 16.359 31.939 4.197 1.00 20.81 0.138 C +ATOM 2501 NE ARG A 448 17.417 31.751 5.189 1.00 22.31 -0.227 N +ATOM 2502 CZ ARG A 448 18.248 32.705 5.630 1.00 24.79 0.665 C +ATOM 2503 NH1 ARG A 448 18.221 33.947 5.127 1.00 25.73 -0.235 N +ATOM 2504 NH2 ARG A 448 19.115 32.399 6.600 1.00 25.18 -0.235 N +ATOM 2505 H ARG A 448 11.874 29.742 1.938 1.00 18.18 0.163 HD +ATOM 2506 HE ARG A 448 17.474 30.833 5.617 1.00 22.31 0.177 HD +ATOM 2507 HH11 ARG A 448 17.595 34.170 4.365 1.00 25.73 0.174 HD +ATOM 2508 HH12 ARG A 448 18.871 34.651 5.459 1.00 25.73 0.174 HD +ATOM 2509 HH21 ARG A 448 19.134 31.460 6.972 1.00 25.18 0.174 HD +ATOM 2510 HH22 ARG A 448 19.740 33.099 6.980 1.00 25.18 0.174 HD +ATOM 2511 N LEU A 449 15.047 27.588 2.777 1.00 15.67 -0.346 N +ATOM 2512 CA LEU A 449 15.252 26.337 3.497 1.00 14.61 0.177 C +ATOM 2513 C LEU A 449 16.627 26.411 4.166 1.00 12.68 0.241 C +ATOM 2514 O LEU A 449 17.644 26.559 3.488 1.00 12.18 -0.271 OA +ATOM 2515 CB LEU A 449 15.088 25.134 2.542 1.00 15.61 0.038 C +ATOM 2516 CG LEU A 449 14.597 23.826 3.204 1.00 20.41 -0.020 C +ATOM 2517 CD1 LEU A 449 14.444 22.741 2.139 1.00 19.59 0.009 C +ATOM 2518 CD2 LEU A 449 15.478 23.325 4.356 1.00 19.23 0.009 C +ATOM 2519 H LEU A 449 15.860 27.984 2.322 1.00 15.67 0.163 HD +ATOM 2520 N ASN A 450 16.638 26.308 5.500 1.00 11.74 -0.346 N +ATOM 2521 CA ASN A 450 17.831 26.315 6.342 1.00 11.07 0.185 C +ATOM 2522 C ASN A 450 18.091 24.879 6.823 1.00 10.67 0.241 C +ATOM 2523 O ASN A 450 17.190 24.249 7.374 1.00 9.64 -0.271 OA +ATOM 2524 CB ASN A 450 17.570 27.205 7.582 1.00 11.03 0.137 C +ATOM 2525 CG ASN A 450 17.156 28.636 7.229 1.00 12.56 0.217 C +ATOM 2526 ND2 ASN A 450 15.898 28.993 7.489 1.00 15.73 -0.370 N +ATOM 2527 OD1 ASN A 450 17.953 29.406 6.703 1.00 13.06 -0.274 OA +ATOM 2528 H ASN A 450 15.751 26.202 5.976 1.00 11.74 0.163 HD +ATOM 2529 1HD2 ASN A 450 15.249 28.319 7.873 1.00 15.73 0.159 HD +ATOM 2530 2HD2 ASN A 450 15.585 29.930 7.271 1.00 15.73 0.159 HD +ATOM 2531 N LEU A 451 19.322 24.375 6.642 1.00 10.51 -0.346 N +ATOM 2532 CA LEU A 451 19.837 23.169 7.299 1.00 10.44 0.177 C +ATOM 2533 C LEU A 451 20.824 23.645 8.381 1.00 10.55 0.241 C +ATOM 2534 O LEU A 451 21.580 24.581 8.136 1.00 10.98 -0.271 OA +ATOM 2535 CB LEU A 451 20.594 22.259 6.299 1.00 11.12 0.038 C +ATOM 2536 CG LEU A 451 19.881 21.924 4.963 1.00 10.88 -0.020 C +ATOM 2537 CD1 LEU A 451 20.656 20.840 4.194 1.00 11.64 0.009 C +ATOM 2538 CD2 LEU A 451 18.416 21.480 5.100 1.00 11.54 0.009 C +ATOM 2539 H LEU A 451 19.992 24.934 6.130 1.00 10.51 0.163 HD +ATOM 2540 N VAL A 452 20.829 23.028 9.574 1.00 10.13 -0.346 N +ATOM 2541 CA VAL A 452 21.680 23.416 10.706 1.00 10.41 0.180 C +ATOM 2542 C VAL A 452 22.327 22.167 11.314 1.00 10.54 0.241 C +ATOM 2543 O VAL A 452 21.612 21.288 11.783 1.00 11.16 -0.271 OA +ATOM 2544 CB VAL A 452 20.879 24.242 11.756 1.00 10.87 0.009 C +ATOM 2545 CG1 VAL A 452 21.768 24.715 12.924 1.00 12.18 0.012 C +ATOM 2546 CG2 VAL A 452 20.116 25.446 11.168 1.00 9.27 0.012 C +ATOM 2547 H VAL A 452 20.161 22.285 9.732 1.00 10.13 0.163 HD +ATOM 2548 N ALA A 453 23.667 22.122 11.379 1.00 10.48 -0.346 N +ATOM 2549 CA ALA A 453 24.422 21.103 12.107 1.00 10.89 0.172 C +ATOM 2550 C ALA A 453 24.560 21.518 13.579 1.00 11.81 0.240 C +ATOM 2551 O ALA A 453 24.903 22.664 13.873 1.00 12.44 -0.271 OA +ATOM 2552 CB ALA A 453 25.846 21.023 11.529 1.00 12.09 0.042 C +ATOM 2553 H ALA A 453 24.194 22.884 10.973 1.00 10.48 0.163 HD +ATOM 2554 N VAL A 454 24.341 20.557 14.489 1.00 10.71 -0.346 N +ATOM 2555 CA VAL A 454 24.607 20.646 15.925 1.00 11.83 0.180 C +ATOM 2556 C VAL A 454 25.299 19.361 16.401 1.00 11.41 0.241 C +ATOM 2557 O VAL A 454 25.015 18.270 15.910 1.00 10.19 -0.271 OA +ATOM 2558 CB VAL A 454 23.354 21.047 16.753 1.00 12.35 0.009 C +ATOM 2559 CG1 VAL A 454 22.879 22.477 16.448 1.00 13.44 0.012 C +ATOM 2560 CG2 VAL A 454 22.186 20.050 16.649 1.00 11.87 0.012 C +ATOM 2561 H VAL A 454 24.016 19.658 14.156 1.00 10.71 0.163 HD +ATOM 2562 N SER A 455 26.221 19.506 17.362 1.00 12.01 -0.344 N +ATOM 2563 CA SER A 455 27.108 18.460 17.869 1.00 12.34 0.200 C +ATOM 2564 C SER A 455 26.391 17.423 18.749 1.00 12.20 0.243 C +ATOM 2565 O SER A 455 26.751 16.247 18.715 1.00 13.81 -0.271 OA +ATOM 2566 CB SER A 455 28.177 19.153 18.730 1.00 13.40 0.199 C +ATOM 2567 OG SER A 455 29.056 19.869 17.896 1.00 15.88 -0.398 OA +ATOM 2568 H SER A 455 26.395 20.443 17.702 1.00 12.01 0.163 HD +ATOM 2569 HG SER A 455 29.625 19.240 17.461 1.00 15.88 0.209 HD +ATOM 2570 N ASP A 456 25.395 17.861 19.533 1.00 10.93 -0.345 N +ATOM 2571 CA ASP A 456 24.605 17.048 20.455 1.00 10.31 0.186 C +ATOM 2572 C ASP A 456 23.211 16.898 19.845 1.00 11.12 0.241 C +ATOM 2573 O ASP A 456 22.480 17.881 19.708 1.00 10.43 -0.271 OA +ATOM 2574 CB ASP A 456 24.504 17.732 21.841 1.00 10.79 0.147 C +ATOM 2575 CG ASP A 456 25.864 18.078 22.445 1.00 13.73 0.175 C +ATOM 2576 OD1 ASP A 456 26.423 17.207 23.144 1.00 14.89 -0.648 OA +ATOM 2577 OD2 ASP A 456 26.331 19.211 22.200 1.00 14.36 -0.648 OA +ATOM 2578 H ASP A 456 25.151 18.841 19.473 1.00 10.93 0.163 HD +ATOM 2579 N PHE A 457 22.860 15.663 19.460 1.00 10.10 -0.346 N +ATOM 2580 CA PHE A 457 21.598 15.314 18.819 1.00 10.07 0.180 C +ATOM 2581 C PHE A 457 21.296 13.827 19.065 1.00 10.44 0.241 C +ATOM 2582 O PHE A 457 22.171 12.983 18.858 1.00 11.45 -0.271 OA +ATOM 2583 CB PHE A 457 21.644 15.720 17.328 1.00 9.54 0.073 C +ATOM 2584 CG PHE A 457 20.302 16.076 16.727 1.00 8.32 -0.056 A +ATOM 2585 CD1 PHE A 457 19.742 17.342 16.983 1.00 10.87 0.007 A +ATOM 2586 CD2 PHE A 457 19.608 15.161 15.913 1.00 9.19 0.007 A +ATOM 2587 CE1 PHE A 457 18.481 17.681 16.462 1.00 13.20 0.001 A +ATOM 2588 CE2 PHE A 457 18.357 15.506 15.373 1.00 10.32 0.001 A +ATOM 2589 CZ PHE A 457 17.795 16.766 15.645 1.00 10.96 0.000 A +ATOM 2590 H PHE A 457 23.531 14.913 19.583 1.00 10.10 0.163 HD +ATOM 2591 N ASN A 458 20.067 13.498 19.505 1.00 10.04 -0.346 N +ATOM 2592 CA ASN A 458 19.666 12.131 19.880 1.00 9.95 0.185 C +ATOM 2593 C ASN A 458 19.507 11.173 18.692 1.00 9.96 0.241 C +ATOM 2594 O ASN A 458 19.548 9.963 18.900 1.00 10.80 -0.271 OA +ATOM 2595 CB ASN A 458 18.316 12.119 20.637 1.00 9.95 0.137 C +ATOM 2596 CG ASN A 458 18.361 12.804 21.997 1.00 10.40 0.217 C +ATOM 2597 ND2 ASN A 458 17.258 13.430 22.406 1.00 12.22 -0.370 N +ATOM 2598 OD1 ASN A 458 19.389 12.785 22.665 1.00 10.85 -0.274 OA +ATOM 2599 H ASN A 458 19.391 14.238 19.647 1.00 10.04 0.163 HD +ATOM 2600 1HD2 ASN A 458 16.433 13.452 21.819 1.00 12.22 0.159 HD +ATOM 2601 2HD2 ASN A 458 17.257 13.894 23.306 1.00 12.22 0.159 HD +ATOM 2602 N VAL A 459 19.349 11.687 17.466 1.00 10.04 -0.346 N +ATOM 2603 CA VAL A 459 19.220 10.907 16.236 1.00 10.10 0.180 C +ATOM 2604 C VAL A 459 20.162 11.489 15.170 1.00 10.32 0.241 C +ATOM 2605 O VAL A 459 21.227 11.996 15.518 1.00 10.64 -0.271 OA +ATOM 2606 CB VAL A 459 17.726 10.701 15.857 1.00 10.32 0.009 C +ATOM 2607 CG1 VAL A 459 16.946 9.911 16.922 1.00 12.29 0.012 C +ATOM 2608 CG2 VAL A 459 16.997 12.010 15.511 1.00 11.56 0.012 C +ATOM 2609 H VAL A 459 19.324 12.693 17.375 1.00 10.04 0.163 HD +ATOM 2610 N GLY A 460 19.807 11.383 13.885 1.00 8.69 -0.351 N +ATOM 2611 CA GLY A 460 20.552 11.893 12.742 1.00 9.34 0.225 C +ATOM 2612 C GLY A 460 20.087 13.270 12.280 1.00 9.01 0.236 C +ATOM 2613 O GLY A 460 20.938 14.110 12.005 1.00 9.36 -0.272 OA +ATOM 2614 H GLY A 460 18.914 10.952 13.665 1.00 8.69 0.163 HD +ATOM 2615 N ALA A 461 18.768 13.510 12.191 1.00 7.43 -0.347 N +ATOM 2616 CA ALA A 461 18.193 14.812 11.851 1.00 7.44 0.172 C +ATOM 2617 C ALA A 461 16.690 14.887 12.129 1.00 8.39 0.240 C +ATOM 2618 O ALA A 461 16.077 13.919 12.572 1.00 8.80 -0.271 OA +ATOM 2619 CB ALA A 461 18.525 15.208 10.403 1.00 6.99 0.042 C +ATOM 2620 H ALA A 461 18.123 12.761 12.412 1.00 7.43 0.163 HD +ATOM 2621 N MET A 462 16.124 16.075 11.876 1.00 9.50 -0.346 N +ATOM 2622 CA MET A 462 14.745 16.474 12.101 1.00 9.67 0.177 C +ATOM 2623 C MET A 462 14.319 17.463 11.005 1.00 9.36 0.241 C +ATOM 2624 O MET A 462 15.076 18.357 10.634 1.00 9.53 -0.271 OA +ATOM 2625 CB MET A 462 14.617 17.006 13.541 1.00 10.20 0.045 C +ATOM 2626 CG MET A 462 13.225 17.515 13.909 1.00 11.48 0.076 C +ATOM 2627 SD MET A 462 11.923 16.272 13.929 1.00 12.39 -0.173 SA +ATOM 2628 CE MET A 462 10.582 17.286 13.247 1.00 9.69 0.089 C +ATOM 2629 H MET A 462 16.734 16.808 11.537 1.00 9.50 0.163 HD +ATOM 2630 N GLU A 463 13.093 17.277 10.497 1.00 9.59 -0.346 N +ATOM 2631 CA GLU A 463 12.505 17.899 9.316 1.00 10.55 0.177 C +ATOM 2632 C GLU A 463 11.677 19.161 9.631 1.00 11.71 0.241 C +ATOM 2633 O GLU A 463 10.697 19.413 8.927 1.00 13.34 -0.271 OA +ATOM 2634 CB GLU A 463 11.585 16.842 8.639 1.00 11.56 0.045 C +ATOM 2635 CG GLU A 463 10.289 16.432 9.394 1.00 12.50 0.116 C +ATOM 2636 CD GLU A 463 10.425 15.234 10.325 1.00 15.42 0.172 C +ATOM 2637 OE1 GLU A 463 11.503 15.076 10.931 1.00 13.00 -0.648 OA +ATOM 2638 OE2 GLU A 463 9.426 14.493 10.440 1.00 14.82 -0.648 OA +ATOM 2639 H GLU A 463 12.564 16.492 10.867 1.00 9.59 0.163 HD +ATOM 2640 N ASN A 464 12.038 19.963 10.653 1.00 12.20 -0.346 N +ATOM 2641 CA ASN A 464 11.286 21.165 11.070 1.00 12.50 0.185 C +ATOM 2642 C ASN A 464 11.139 22.134 9.894 1.00 14.27 0.241 C +ATOM 2643 O ASN A 464 12.095 22.344 9.151 1.00 13.43 -0.271 OA +ATOM 2644 CB ASN A 464 11.920 21.924 12.256 1.00 11.44 0.137 C +ATOM 2645 CG ASN A 464 12.743 21.066 13.206 1.00 12.25 0.217 C +ATOM 2646 ND2 ASN A 464 12.142 20.679 14.323 1.00 11.19 -0.370 N +ATOM 2647 OD1 ASN A 464 13.905 20.766 12.939 1.00 13.03 -0.274 OA +ATOM 2648 H ASN A 464 12.867 19.724 11.180 1.00 12.20 0.163 HD +ATOM 2649 1HD2 ASN A 464 11.193 20.958 14.522 1.00 11.19 0.159 HD +ATOM 2650 2HD2 ASN A 464 12.674 20.136 14.990 1.00 11.19 0.159 HD +ATOM 2651 N LYS A 465 9.918 22.640 9.693 1.00 15.52 -0.346 N +ATOM 2652 CA LYS A 465 9.449 23.245 8.451 1.00 16.83 0.176 C +ATOM 2653 C LYS A 465 10.267 24.498 8.062 1.00 16.70 0.240 C +ATOM 2654 O LYS A 465 10.182 25.535 8.719 1.00 17.64 -0.271 OA +ATOM 2655 CB LYS A 465 7.949 23.523 8.650 1.00 16.85 0.035 C +ATOM 2656 CG LYS A 465 7.138 23.517 7.349 1.00 22.04 0.004 C +ATOM 2657 CD LYS A 465 5.648 23.689 7.654 1.00 22.70 0.027 C +ATOM 2658 CE LYS A 465 4.771 23.765 6.400 1.00 27.97 0.229 C +ATOM 2659 NZ LYS A 465 3.377 24.072 6.761 1.00 26.62 -0.079 N +ATOM 2660 H LYS A 465 9.210 22.427 10.380 1.00 15.52 0.163 HD +ATOM 2661 HZ1 LYS A 465 3.013 23.331 7.350 1.00 26.62 0.274 HD +ATOM 2662 HZ2 LYS A 465 3.353 24.944 7.276 1.00 26.62 0.274 HD +ATOM 2663 HZ3 LYS A 465 2.814 24.152 5.927 1.00 26.62 0.274 HD +ATOM 2664 N GLY A 466 11.105 24.352 7.021 1.00 15.83 -0.351 N +ATOM 2665 CA GLY A 466 12.095 25.305 6.512 1.00 15.04 0.225 C +ATOM 2666 C GLY A 466 13.313 25.563 7.416 1.00 14.91 0.236 C +ATOM 2667 O GLY A 466 14.083 26.481 7.138 1.00 15.45 -0.272 OA +ATOM 2668 H GLY A 466 11.089 23.455 6.546 1.00 15.83 0.163 HD +ATOM 2669 N LEU A 467 13.488 24.773 8.486 1.00 13.50 -0.346 N +ATOM 2670 CA LEU A 467 14.546 24.876 9.488 1.00 12.66 0.177 C +ATOM 2671 C LEU A 467 14.937 23.477 9.974 1.00 12.76 0.241 C +ATOM 2672 O LEU A 467 14.783 23.158 11.149 1.00 13.84 -0.271 OA +ATOM 2673 CB LEU A 467 14.159 25.905 10.581 1.00 12.45 0.038 C +ATOM 2674 CG LEU A 467 15.201 26.166 11.699 1.00 13.57 -0.020 C +ATOM 2675 CD1 LEU A 467 16.562 26.624 11.153 1.00 14.68 0.009 C +ATOM 2676 CD2 LEU A 467 14.658 27.195 12.694 1.00 14.05 0.009 C +ATOM 2677 H LEU A 467 12.822 24.023 8.622 1.00 13.50 0.163 HD +ATOM 2678 N ASN A 468 15.426 22.624 9.062 1.00 11.83 -0.346 N +ATOM 2679 CA ASN A 468 15.842 21.253 9.359 1.00 11.11 0.185 C +ATOM 2680 C ASN A 468 17.119 21.281 10.216 1.00 11.26 0.241 C +ATOM 2681 O ASN A 468 18.081 21.962 9.869 1.00 11.19 -0.271 OA +ATOM 2682 CB ASN A 468 16.137 20.484 8.046 1.00 11.06 0.137 C +ATOM 2683 CG ASN A 468 14.962 20.222 7.095 1.00 14.19 0.217 C +ATOM 2684 ND2 ASN A 468 13.750 20.684 7.404 1.00 13.01 -0.370 N +ATOM 2685 OD1 ASN A 468 15.156 19.590 6.059 1.00 18.72 -0.274 OA +ATOM 2686 H ASN A 468 15.572 22.960 8.120 1.00 11.83 0.163 HD +ATOM 2687 1HD2 ASN A 468 13.603 21.222 8.249 1.00 13.01 0.159 HD +ATOM 2688 2HD2 ASN A 468 12.969 20.501 6.790 1.00 13.01 0.159 HD +ATOM 2689 N ILE A 469 17.115 20.565 11.347 1.00 10.61 -0.346 N +ATOM 2690 CA ILE A 469 18.221 20.515 12.303 1.00 10.25 0.180 C +ATOM 2691 C ILE A 469 18.779 19.089 12.280 1.00 9.28 0.241 C +ATOM 2692 O ILE A 469 18.036 18.121 12.400 1.00 9.28 -0.271 OA +ATOM 2693 CB ILE A 469 17.727 20.953 13.708 1.00 10.03 0.013 C +ATOM 2694 CG1 ILE A 469 17.278 22.437 13.712 1.00 11.21 0.002 C +ATOM 2695 CG2 ILE A 469 18.800 20.744 14.799 1.00 11.98 0.012 C +ATOM 2696 CD1 ILE A 469 16.329 22.803 14.860 1.00 13.21 0.005 C +ATOM 2697 H ILE A 469 16.292 20.020 11.566 1.00 10.61 0.163 HD +ATOM 2698 N PHE A 470 20.100 18.989 12.110 1.00 8.65 -0.346 N +ATOM 2699 CA PHE A 470 20.861 17.768 11.914 1.00 7.38 0.180 C +ATOM 2700 C PHE A 470 21.816 17.559 13.083 1.00 7.02 0.241 C +ATOM 2701 O PHE A 470 22.359 18.510 13.643 1.00 8.49 -0.271 OA +ATOM 2702 CB PHE A 470 21.704 17.899 10.626 1.00 7.80 0.073 C +ATOM 2703 CG PHE A 470 20.902 17.958 9.341 1.00 10.00 -0.056 A +ATOM 2704 CD1 PHE A 470 20.850 16.844 8.477 1.00 10.01 0.007 A +ATOM 2705 CD2 PHE A 470 20.209 19.136 9.002 1.00 10.04 0.007 A +ATOM 2706 CE1 PHE A 470 20.083 16.903 7.297 1.00 12.39 0.001 A +ATOM 2707 CE2 PHE A 470 19.429 19.182 7.838 1.00 13.16 0.001 A +ATOM 2708 CZ PHE A 470 19.358 18.067 6.984 1.00 9.78 0.000 A +ATOM 2709 H PHE A 470 20.631 19.850 12.058 1.00 8.65 0.163 HD +ATOM 2710 N ASN A 471 22.127 16.283 13.333 1.00 6.76 -0.346 N +ATOM 2711 CA ASN A 471 23.361 15.848 13.968 1.00 7.65 0.185 C +ATOM 2712 C ASN A 471 24.499 16.157 12.981 1.00 7.27 0.241 C +ATOM 2713 O ASN A 471 24.376 15.900 11.783 1.00 8.02 -0.271 OA +ATOM 2714 CB ASN A 471 23.273 14.325 14.201 1.00 8.18 0.137 C +ATOM 2715 CG ASN A 471 24.315 13.794 15.190 1.00 6.89 0.217 C +ATOM 2716 ND2 ASN A 471 23.905 12.902 16.089 1.00 7.70 -0.370 N +ATOM 2717 OD1 ASN A 471 25.479 14.183 15.150 1.00 8.85 -0.274 OA +ATOM 2718 H ASN A 471 21.613 15.570 12.830 1.00 6.76 0.163 HD +ATOM 2719 1HD2 ASN A 471 22.938 12.599 16.093 1.00 7.70 0.159 HD +ATOM 2720 2HD2 ASN A 471 24.569 12.516 16.747 1.00 7.70 0.159 HD +ATOM 2721 N ALA A 472 25.601 16.707 13.500 1.00 7.65 -0.346 N +ATOM 2722 CA ALA A 472 26.816 17.058 12.776 1.00 9.13 0.172 C +ATOM 2723 C ALA A 472 27.406 15.916 11.920 1.00 8.48 0.240 C +ATOM 2724 O ALA A 472 27.867 16.186 10.812 1.00 9.64 -0.271 OA +ATOM 2725 CB ALA A 472 27.817 17.619 13.792 1.00 9.66 0.042 C +ATOM 2726 H ALA A 472 25.591 16.917 14.489 1.00 7.65 0.163 HD +ATOM 2727 N ASN A 473 27.318 14.648 12.376 1.00 8.97 -0.346 N +ATOM 2728 CA ASN A 473 27.735 13.449 11.623 1.00 9.35 0.185 C +ATOM 2729 C ASN A 473 26.844 13.101 10.407 1.00 8.99 0.241 C +ATOM 2730 O ASN A 473 27.138 12.146 9.690 1.00 10.98 -0.271 OA +ATOM 2731 CB ASN A 473 27.872 12.210 12.557 1.00 9.42 0.137 C +ATOM 2732 CG ASN A 473 26.634 11.700 13.316 1.00 9.71 0.217 C +ATOM 2733 ND2 ASN A 473 25.422 11.892 12.798 1.00 8.49 -0.370 N +ATOM 2734 OD1 ASN A 473 26.772 11.085 14.368 1.00 9.08 -0.274 OA +ATOM 2735 H ASN A 473 26.906 14.502 13.288 1.00 8.97 0.163 HD +ATOM 2736 1HD2 ASN A 473 25.308 12.358 11.909 1.00 8.49 0.159 HD +ATOM 2737 2HD2 ASN A 473 24.608 11.590 13.315 1.00 8.49 0.159 HD +ATOM 2738 N SER A 474 25.745 13.840 10.204 1.00 8.73 -0.344 N +ATOM 2739 CA SER A 474 24.737 13.640 9.169 1.00 8.05 0.200 C +ATOM 2740 C SER A 474 24.562 14.891 8.291 1.00 7.29 0.243 C +ATOM 2741 O SER A 474 23.635 14.932 7.481 1.00 7.72 -0.271 OA +ATOM 2742 CB SER A 474 23.414 13.227 9.839 1.00 9.15 0.199 C +ATOM 2743 OG SER A 474 23.482 11.918 10.365 1.00 9.10 -0.398 OA +ATOM 2744 H SER A 474 25.564 14.597 10.851 1.00 8.73 0.163 HD +ATOM 2745 HG SER A 474 22.657 11.738 10.791 1.00 9.10 0.209 HD +ATOM 2746 N LEU A 475 25.460 15.888 8.416 1.00 7.23 -0.346 N +ATOM 2747 CA LEU A 475 25.476 17.108 7.606 1.00 8.15 0.177 C +ATOM 2748 C LEU A 475 26.891 17.528 7.183 1.00 9.32 0.241 C +ATOM 2749 O LEU A 475 27.044 18.059 6.087 1.00 10.49 -0.271 OA +ATOM 2750 CB LEU A 475 24.677 18.239 8.300 1.00 9.30 0.038 C +ATOM 2751 CG LEU A 475 24.265 19.413 7.377 1.00 9.64 -0.020 C +ATOM 2752 CD1 LEU A 475 23.132 19.011 6.425 1.00 9.94 0.009 C +ATOM 2753 CD2 LEU A 475 23.836 20.653 8.175 1.00 10.52 0.009 C +ATOM 2754 H LEU A 475 26.193 15.778 9.101 1.00 7.23 0.163 HD +ATOM 2755 N LEU A 476 27.920 17.318 8.019 1.00 8.40 -0.346 N +ATOM 2756 CA LEU A 476 29.273 17.832 7.786 1.00 9.18 0.177 C +ATOM 2757 C LEU A 476 30.201 16.716 7.298 1.00 9.84 0.241 C +ATOM 2758 O LEU A 476 30.379 15.717 7.993 1.00 9.12 -0.271 OA +ATOM 2759 CB LEU A 476 29.841 18.368 9.119 1.00 9.99 0.038 C +ATOM 2760 CG LEU A 476 29.013 19.484 9.781 1.00 11.63 -0.020 C +ATOM 2761 CD1 LEU A 476 29.616 19.874 11.135 1.00 13.39 0.009 C +ATOM 2762 CD2 LEU A 476 28.888 20.716 8.882 1.00 18.15 0.009 C +ATOM 2763 H LEU A 476 27.754 16.859 8.905 1.00 8.40 0.163 HD +ATOM 2764 N ALA A 477 30.840 16.921 6.133 1.00 9.52 -0.346 N +ATOM 2765 CA ALA A 477 31.893 16.061 5.607 1.00 10.14 0.172 C +ATOM 2766 C ALA A 477 32.983 16.812 4.845 1.00 10.91 0.240 C +ATOM 2767 O ALA A 477 32.719 17.813 4.185 1.00 12.33 -0.271 OA +ATOM 2768 CB ALA A 477 31.330 14.879 4.808 1.00 10.32 0.042 C +ATOM 2769 H ALA A 477 30.653 17.776 5.625 1.00 9.52 0.163 HD +ATOM 2770 N SER A 478 34.204 16.268 4.900 1.00 11.12 -0.344 N +ATOM 2771 CA SER A 478 35.348 16.633 4.073 1.00 11.98 0.200 C +ATOM 2772 C SER A 478 36.153 15.381 3.725 1.00 12.03 0.243 C +ATOM 2773 O SER A 478 36.113 14.391 4.449 1.00 11.92 -0.271 OA +ATOM 2774 CB SER A 478 36.173 17.767 4.704 1.00 12.44 0.199 C +ATOM 2775 OG SER A 478 36.925 17.293 5.801 1.00 14.23 -0.398 OA +ATOM 2776 H SER A 478 34.318 15.438 5.470 1.00 11.12 0.163 HD +ATOM 2777 HG SER A 478 36.325 17.031 6.482 1.00 14.23 0.209 HD +ATOM 2778 N LYS A 479 36.880 15.410 2.603 1.00 13.77 -0.346 N +ATOM 2779 CA LYS A 479 37.617 14.252 2.097 1.00 14.22 0.176 C +ATOM 2780 C LYS A 479 38.882 13.937 2.911 1.00 13.90 0.241 C +ATOM 2781 O LYS A 479 39.348 12.799 2.889 1.00 13.43 -0.271 OA +ATOM 2782 CB LYS A 479 37.979 14.500 0.628 1.00 15.39 0.035 C +ATOM 2783 CG LYS A 479 36.711 14.530 -0.233 1.00 16.81 0.004 C +ATOM 2784 CD LYS A 479 37.000 14.707 -1.713 1.00 19.14 0.027 C +ATOM 2785 CE LYS A 479 35.715 14.713 -2.528 1.00 16.56 0.229 C +ATOM 2786 NZ LYS A 479 36.042 14.745 -3.953 1.00 17.24 -0.079 N +ATOM 2787 H LYS A 479 36.888 16.255 2.045 1.00 13.77 0.163 HD +ATOM 2788 HZ1 LYS A 479 35.183 14.647 -4.483 1.00 17.24 0.274 HD +ATOM 2789 HZ2 LYS A 479 36.477 15.630 -4.187 1.00 17.24 0.274 HD +ATOM 2790 HZ3 LYS A 479 36.671 13.987 -4.184 1.00 17.24 0.274 HD +ATOM 2791 N LYS A 480 39.394 14.920 3.666 1.00 14.44 -0.346 N +ATOM 2792 CA LYS A 480 40.505 14.763 4.593 1.00 15.27 0.176 C +ATOM 2793 C LYS A 480 40.022 14.330 5.989 1.00 15.23 0.241 C +ATOM 2794 O LYS A 480 40.772 13.637 6.672 1.00 15.31 -0.271 OA +ATOM 2795 CB LYS A 480 41.208 16.131 4.715 1.00 16.15 0.035 C +ATOM 2796 CG LYS A 480 42.539 16.082 5.487 1.00 22.20 0.004 C +ATOM 2797 CD LYS A 480 43.182 17.463 5.639 1.00 28.53 0.027 C +ATOM 2798 CE LYS A 480 44.439 17.417 6.517 1.00 32.80 0.229 C +ATOM 2799 NZ LYS A 480 44.940 18.771 6.801 1.00 34.84 -0.079 N +ATOM 2800 H LYS A 480 38.958 15.830 3.619 1.00 14.44 0.163 HD +ATOM 2801 HZ1 LYS A 480 44.226 19.284 7.304 1.00 34.84 0.274 HD +ATOM 2802 HZ2 LYS A 480 45.774 18.714 7.368 1.00 34.84 0.274 HD +ATOM 2803 HZ3 LYS A 480 45.151 19.247 5.935 1.00 34.84 0.274 HD +ATOM 2804 N ASN A 481 38.810 14.721 6.427 1.00 14.64 -0.346 N +ATOM 2805 CA ASN A 481 38.350 14.552 7.814 1.00 14.44 0.185 C +ATOM 2806 C ASN A 481 37.034 13.779 7.958 1.00 13.62 0.241 C +ATOM 2807 O ASN A 481 36.368 13.896 8.987 1.00 13.49 -0.271 OA +ATOM 2808 CB ASN A 481 38.355 15.886 8.612 1.00 15.43 0.137 C +ATOM 2809 CG ASN A 481 39.691 16.635 8.661 1.00 19.84 0.217 C +ATOM 2810 ND2 ASN A 481 40.769 15.957 9.059 1.00 25.27 -0.370 N +ATOM 2811 OD1 ASN A 481 39.745 17.832 8.386 1.00 21.93 -0.274 OA +ATOM 2812 H ASN A 481 38.226 15.272 5.812 1.00 14.64 0.163 HD +ATOM 2813 1HD2 ASN A 481 40.696 14.975 9.284 1.00 25.27 0.159 HD +ATOM 2814 2HD2 ASN A 481 41.660 16.425 9.125 1.00 25.27 0.159 HD +ATOM 2815 N SER A 482 36.675 12.955 6.961 1.00 12.25 -0.344 N +ATOM 2816 CA SER A 482 35.519 12.063 6.999 1.00 11.66 0.200 C +ATOM 2817 C SER A 482 35.842 10.735 6.330 1.00 11.63 0.243 C +ATOM 2818 O SER A 482 36.528 10.709 5.308 1.00 11.49 -0.271 OA +ATOM 2819 CB SER A 482 34.284 12.700 6.342 1.00 12.22 0.199 C +ATOM 2820 OG SER A 482 34.001 13.955 6.905 1.00 13.90 -0.398 OA +ATOM 2821 H SER A 482 37.257 12.914 6.136 1.00 12.25 0.163 HD +ATOM 2822 HG SER A 482 33.826 13.843 7.831 1.00 13.90 0.209 HD +ATOM 2823 N ILE A 483 35.263 9.644 6.855 1.00 10.75 -0.346 N +ATOM 2824 CA ILE A 483 35.190 8.350 6.176 1.00 10.54 0.180 C +ATOM 2825 C ILE A 483 34.170 8.433 5.023 1.00 10.10 0.241 C +ATOM 2826 O ILE A 483 33.313 9.317 5.001 1.00 9.49 -0.271 OA +ATOM 2827 CB ILE A 483 34.813 7.237 7.193 1.00 10.43 0.013 C +ATOM 2828 CG1 ILE A 483 33.402 7.363 7.822 1.00 9.54 0.002 C +ATOM 2829 CG2 ILE A 483 35.904 7.108 8.270 1.00 9.69 0.012 C +ATOM 2830 CD1 ILE A 483 32.935 6.091 8.542 1.00 10.89 0.005 C +ATOM 2831 H ILE A 483 34.708 9.756 7.692 1.00 10.75 0.163 HD +ATOM 2832 N ASP A 484 34.265 7.503 4.065 1.00 9.96 -0.345 N +ATOM 2833 CA ASP A 484 33.422 7.416 2.870 1.00 10.81 0.186 C +ATOM 2834 C ASP A 484 31.922 7.279 3.162 1.00 10.62 0.241 C +ATOM 2835 O ASP A 484 31.122 7.847 2.420 1.00 10.34 -0.271 OA +ATOM 2836 CB ASP A 484 33.894 6.244 1.985 1.00 9.44 0.147 C +ATOM 2837 CG ASP A 484 35.301 6.408 1.409 1.00 13.76 0.175 C +ATOM 2838 OD1 ASP A 484 35.821 7.544 1.413 1.00 13.62 -0.648 OA +ATOM 2839 OD2 ASP A 484 35.842 5.390 0.932 1.00 12.88 -0.648 OA +ATOM 2840 H ASP A 484 35.000 6.810 4.149 1.00 9.96 0.163 HD +ATOM 2841 N PHE A 485 31.543 6.589 4.256 1.00 10.66 -0.346 N +ATOM 2842 CA PHE A 485 30.163 6.428 4.725 1.00 11.93 0.180 C +ATOM 2843 C PHE A 485 29.439 7.760 4.999 1.00 10.67 0.241 C +ATOM 2844 O PHE A 485 28.222 7.812 4.835 1.00 10.40 -0.271 OA +ATOM 2845 CB PHE A 485 30.130 5.527 5.980 1.00 12.76 0.073 C +ATOM 2846 CG PHE A 485 28.735 5.305 6.551 1.00 15.73 -0.056 A +ATOM 2847 CD1 PHE A 485 27.817 4.478 5.871 1.00 21.30 0.007 A +ATOM 2848 CD2 PHE A 485 28.326 5.993 7.714 1.00 14.61 0.007 A +ATOM 2849 CE1 PHE A 485 26.495 4.353 6.341 1.00 19.84 0.001 A +ATOM 2850 CE2 PHE A 485 27.003 5.871 8.181 1.00 18.60 0.001 A +ATOM 2851 CZ PHE A 485 26.087 5.053 7.493 1.00 19.87 0.000 A +ATOM 2852 H PHE A 485 32.268 6.145 4.801 1.00 10.66 0.163 HD +ATOM 2853 N SER A 486 30.171 8.829 5.363 1.00 10.41 -0.344 N +ATOM 2854 CA SER A 486 29.635 10.169 5.606 1.00 10.24 0.200 C +ATOM 2855 C SER A 486 28.934 10.765 4.379 1.00 9.50 0.243 C +ATOM 2856 O SER A 486 27.931 11.453 4.530 1.00 8.77 -0.271 OA +ATOM 2857 CB SER A 486 30.770 11.118 6.007 1.00 12.51 0.199 C +ATOM 2858 OG SER A 486 31.222 10.833 7.309 1.00 14.32 -0.398 OA +ATOM 2859 H SER A 486 31.170 8.714 5.469 1.00 10.41 0.163 HD +ATOM 2860 HG SER A 486 31.831 11.510 7.564 1.00 14.32 0.209 HD +ATOM 2861 N TYR A 487 29.447 10.482 3.172 1.00 9.92 -0.346 N +ATOM 2862 CA TYR A 487 28.928 11.003 1.912 1.00 10.20 0.180 C +ATOM 2863 C TYR A 487 27.612 10.337 1.501 1.00 9.26 0.241 C +ATOM 2864 O TYR A 487 26.713 11.031 1.025 1.00 8.24 -0.271 OA +ATOM 2865 CB TYR A 487 29.986 10.799 0.819 1.00 10.03 0.073 C +ATOM 2866 CG TYR A 487 31.104 11.805 0.965 1.00 10.37 -0.056 A +ATOM 2867 CD1 TYR A 487 30.962 13.067 0.363 1.00 11.19 0.010 A +ATOM 2868 CD2 TYR A 487 32.232 11.528 1.766 1.00 11.84 0.010 A +ATOM 2869 CE1 TYR A 487 31.928 14.064 0.563 1.00 9.51 0.037 A +ATOM 2870 CE2 TYR A 487 33.202 12.526 1.972 1.00 10.40 0.037 A +ATOM 2871 CZ TYR A 487 33.043 13.792 1.374 1.00 11.14 0.065 A +ATOM 2872 OH TYR A 487 33.967 14.763 1.586 1.00 12.73 -0.361 OA +ATOM 2873 H TYR A 487 30.257 9.880 3.126 1.00 9.92 0.163 HD +ATOM 2874 HH TYR A 487 34.691 14.464 2.115 1.00 12.73 0.217 HD +ATOM 2875 N ALA A 488 27.463 9.027 1.757 1.00 10.27 -0.346 N +ATOM 2876 CA ALA A 488 26.189 8.328 1.631 1.00 10.09 0.172 C +ATOM 2877 C ALA A 488 25.215 8.781 2.726 1.00 9.43 0.240 C +ATOM 2878 O ALA A 488 24.066 9.062 2.411 1.00 9.58 -0.271 OA +ATOM 2879 CB ALA A 488 26.409 6.813 1.738 1.00 11.34 0.042 C +ATOM 2880 H ALA A 488 28.241 8.518 2.153 1.00 10.27 0.163 HD +ATOM 2881 N ARG A 489 25.675 8.902 3.985 1.00 9.02 -0.346 N +ATOM 2882 CA ARG A 489 24.883 9.307 5.149 1.00 8.08 0.176 C +ATOM 2883 C ARG A 489 24.290 10.722 5.033 1.00 7.85 0.241 C +ATOM 2884 O ARG A 489 23.130 10.913 5.384 1.00 8.15 -0.271 OA +ATOM 2885 CB ARG A 489 25.737 9.168 6.430 1.00 8.84 0.036 C +ATOM 2886 CG ARG A 489 25.030 9.551 7.748 1.00 9.20 0.023 C +ATOM 2887 CD ARG A 489 23.858 8.626 8.096 1.00 9.42 0.138 C +ATOM 2888 NE ARG A 489 23.176 9.053 9.324 1.00 11.61 -0.227 N +ATOM 2889 CZ ARG A 489 21.994 8.577 9.751 1.00 11.00 0.665 C +ATOM 2890 NH1 ARG A 489 21.339 7.630 9.074 1.00 12.22 -0.235 N +ATOM 2891 NH2 ARG A 489 21.446 9.041 10.876 1.00 11.61 -0.235 N +ATOM 2892 H ARG A 489 26.644 8.664 4.157 1.00 9.02 0.163 HD +ATOM 2893 HE ARG A 489 23.627 9.786 9.856 1.00 11.61 0.177 HD +ATOM 2894 HH11 ARG A 489 21.735 7.246 8.225 1.00 12.22 0.174 HD +ATOM 2895 HH12 ARG A 489 20.490 7.230 9.456 1.00 12.22 0.174 HD +ATOM 2896 HH21 ARG A 489 21.969 9.662 11.480 1.00 11.61 0.174 HD +ATOM 2897 HH22 ARG A 489 20.535 8.715 11.177 1.00 11.61 0.174 HD +ATOM 2898 N ILE A 490 25.052 11.704 4.528 1.00 7.49 -0.346 N +ATOM 2899 CA ILE A 490 24.574 13.070 4.293 1.00 7.80 0.180 C +ATOM 2900 C ILE A 490 23.562 13.086 3.138 1.00 8.51 0.241 C +ATOM 2901 O ILE A 490 22.545 13.762 3.255 1.00 9.28 -0.271 OA +ATOM 2902 CB ILE A 490 25.776 14.019 4.028 1.00 8.06 0.013 C +ATOM 2903 CG1 ILE A 490 26.606 14.185 5.317 1.00 6.66 0.002 C +ATOM 2904 CG2 ILE A 490 25.365 15.418 3.509 1.00 9.16 0.012 C +ATOM 2905 CD1 ILE A 490 28.025 14.695 5.082 1.00 9.51 0.005 C +ATOM 2906 H ILE A 490 26.015 11.500 4.295 1.00 7.49 0.163 HD +ATOM 2907 N LEU A 491 23.797 12.312 2.063 1.00 8.35 -0.346 N +ATOM 2908 CA LEU A 491 22.874 12.170 0.937 1.00 9.26 0.185 C +ATOM 2909 C LEU A 491 21.541 11.523 1.355 1.00 8.69 0.340 C +ATOM 2910 O LEU A 491 20.493 12.005 0.931 1.00 9.28 -0.263 OA +ATOM 2911 CB LEU A 491 23.575 11.386 -0.197 1.00 10.13 0.038 C +ATOM 2912 CG LEU A 491 22.786 11.244 -1.519 1.00 13.50 -0.020 C +ATOM 2913 CD1 LEU A 491 22.527 12.599 -2.198 1.00 14.19 0.009 C +ATOM 2914 CD2 LEU A 491 23.527 10.313 -2.489 1.00 15.14 0.009 C +ATOM 2915 H LEU A 491 24.648 11.769 2.036 1.00 8.35 0.163 HD +ATOM 2916 N THR A 492 21.563 10.493 2.224 1.00 8.09 0.023 N +ATOM 2917 CA ATHR A 492 20.353 9.868 2.760 0.50 8.73 0.310 C +ATOM 2918 CA BTHR A 492 20.446 9.968 2.757 0.50 7.45 0.310 C +ATOM 2919 C THR A 492 19.597 10.807 3.713 1.00 8.63 0.209 C +ATOM 2920 O THR A 492 18.393 10.958 3.544 1.00 9.07 -0.279 OA +ATOM 2921 CB ATHR A 492 20.638 8.510 3.460 0.50 8.88 0.154 C +ATOM 2922 CB BTHR A 492 20.862 8.678 3.517 0.50 6.93 0.154 C +ATOM 2923 CG2ATHR A 492 21.241 7.429 2.560 0.50 9.60 0.042 C +ATOM 2924 CG2BTHR A 492 19.720 8.121 4.365 0.50 5.34 0.042 C +ATOM 2925 OG1ATHR A 492 21.420 8.609 4.632 0.50 14.58 -0.393 OA +ATOM 2926 OG1BTHR A 492 21.290 7.685 2.574 0.50 7.58 -0.393 OA +ATOM 2927 H THR A 492 22.455 10.143 2.549 1.00 8.09 0.292 HD +ATOM 2928 HG1ATHR A 492 21.426 7.767 5.059 0.50 14.58 0.210 HD +ATOM 2929 HG1BTHR A 492 21.547 6.888 3.043 0.50 0.00 0.210 HD +ATOM 2930 N VAL A 493 20.265 11.440 4.693 1.00 8.11 -0.351 N +ATOM 2931 CA VAL A 493 19.598 12.229 5.732 1.00 8.54 0.179 C +ATOM 2932 C VAL A 493 19.094 13.578 5.173 1.00 8.48 0.241 C +ATOM 2933 O VAL A 493 17.938 13.905 5.425 1.00 9.11 -0.271 OA +ATOM 2934 CB VAL A 493 20.518 12.408 6.971 1.00 8.10 0.009 C +ATOM 2935 CG1 VAL A 493 19.823 13.208 8.086 1.00 9.20 0.012 C +ATOM 2936 CG2 VAL A 493 20.954 11.064 7.590 1.00 7.62 0.012 C +ATOM 2937 H VAL A 493 21.261 11.281 4.786 1.00 8.11 0.163 HD +ATOM 2938 N VAL A 494 19.881 14.322 4.366 1.00 8.07 -0.346 N +ATOM 2939 CA VAL A 494 19.430 15.548 3.677 1.00 8.13 0.180 C +ATOM 2940 C VAL A 494 18.293 15.243 2.681 1.00 7.55 0.241 C +ATOM 2941 O VAL A 494 17.346 16.023 2.592 1.00 8.61 -0.271 OA +ATOM 2942 CB VAL A 494 20.616 16.276 2.978 1.00 6.80 0.009 C +ATOM 2943 CG1 VAL A 494 20.186 17.494 2.133 1.00 10.08 0.012 C +ATOM 2944 CG2 VAL A 494 21.681 16.739 3.988 1.00 7.54 0.012 C +ATOM 2945 H VAL A 494 20.817 13.994 4.163 1.00 8.07 0.163 HD +ATOM 2946 N GLY A 495 18.355 14.083 2.003 1.00 8.53 -0.351 N +ATOM 2947 CA GLY A 495 17.291 13.511 1.183 1.00 8.48 0.225 C +ATOM 2948 C GLY A 495 16.004 13.304 1.973 1.00 8.43 0.236 C +ATOM 2949 O GLY A 495 14.993 13.930 1.668 1.00 8.25 -0.272 OA +ATOM 2950 H GLY A 495 19.181 13.514 2.127 1.00 8.53 0.163 HD +ATOM 2951 N HIS A 496 16.076 12.472 3.019 1.00 7.62 -0.346 N +ATOM 2952 CA HIS A 496 15.006 12.123 3.946 1.00 8.17 0.182 C +ATOM 2953 C HIS A 496 14.289 13.344 4.546 1.00 8.23 0.241 C +ATOM 2954 O HIS A 496 13.077 13.467 4.382 1.00 8.05 -0.271 OA +ATOM 2955 CB HIS A 496 15.575 11.197 5.036 1.00 8.38 0.093 C +ATOM 2956 CG HIS A 496 14.535 10.636 5.958 1.00 9.27 0.030 A +ATOM 2957 CD2 HIS A 496 13.887 11.201 7.028 1.00 9.72 0.143 A +ATOM 2958 ND1 HIS A 496 13.976 9.382 5.798 1.00 11.88 -0.353 N +ATOM 2959 CE1 HIS A 496 13.027 9.261 6.727 1.00 12.03 0.207 A +ATOM 2960 NE2 HIS A 496 12.922 10.323 7.504 1.00 10.33 -0.254 N +ATOM 2961 H HIS A 496 16.971 12.030 3.196 1.00 7.62 0.163 HD +ATOM 2962 HD1 HIS A 496 14.255 8.678 5.125 1.00 11.88 0.166 HD +ATOM 2963 N GLU A 497 15.025 14.256 5.208 1.00 8.20 -0.346 N +ATOM 2964 CA GLU A 497 14.452 15.447 5.842 1.00 8.16 0.177 C +ATOM 2965 C GLU A 497 13.845 16.425 4.825 1.00 9.17 0.241 C +ATOM 2966 O GLU A 497 12.868 17.094 5.160 1.00 9.47 -0.271 OA +ATOM 2967 CB GLU A 497 15.497 16.208 6.692 1.00 8.63 0.045 C +ATOM 2968 CG GLU A 497 16.239 15.440 7.805 1.00 8.97 0.116 C +ATOM 2969 CD GLU A 497 15.394 14.451 8.603 1.00 10.09 0.172 C +ATOM 2970 OE1 GLU A 497 14.279 14.844 8.996 1.00 10.22 -0.648 OA +ATOM 2971 OE2 GLU A 497 15.874 13.317 8.816 1.00 12.36 -0.648 OA +ATOM 2972 H GLU A 497 16.024 14.110 5.300 1.00 8.20 0.163 HD +ATOM 2973 N TYR A 498 14.372 16.471 3.585 1.00 8.35 -0.346 N +ATOM 2974 CA TYR A 498 13.791 17.243 2.492 1.00 8.62 0.180 C +ATOM 2975 C TYR A 498 12.450 16.644 2.034 1.00 9.06 0.241 C +ATOM 2976 O TYR A 498 11.480 17.388 1.909 1.00 9.13 -0.271 OA +ATOM 2977 CB TYR A 498 14.752 17.355 1.287 1.00 10.05 0.073 C +ATOM 2978 CG TYR A 498 14.129 18.193 0.188 1.00 10.47 -0.056 A +ATOM 2979 CD1 TYR A 498 13.988 19.578 0.391 1.00 9.79 0.010 A +ATOM 2980 CD2 TYR A 498 13.529 17.578 -0.931 1.00 10.56 0.010 A +ATOM 2981 CE1 TYR A 498 13.183 20.338 -0.472 1.00 11.14 0.037 A +ATOM 2982 CE2 TYR A 498 12.727 18.339 -1.798 1.00 11.96 0.037 A +ATOM 2983 CZ TYR A 498 12.534 19.710 -1.549 1.00 13.27 0.065 A +ATOM 2984 OH TYR A 498 11.712 20.437 -2.346 1.00 13.11 -0.361 OA +ATOM 2985 H TYR A 498 15.170 15.888 3.372 1.00 8.35 0.163 HD +ATOM 2986 HH TYR A 498 11.547 21.306 -2.014 1.00 13.11 0.217 HD +ATOM 2987 N PHE A 499 12.393 15.323 1.785 1.00 8.11 -0.346 N +ATOM 2988 CA PHE A 499 11.211 14.611 1.287 1.00 8.47 0.180 C +ATOM 2989 C PHE A 499 10.039 14.596 2.278 1.00 8.67 0.241 C +ATOM 2990 O PHE A 499 8.895 14.437 1.851 1.00 9.34 -0.271 OA +ATOM 2991 CB PHE A 499 11.593 13.169 0.897 1.00 9.04 0.073 C +ATOM 2992 CG PHE A 499 12.532 13.052 -0.289 1.00 8.22 -0.056 A +ATOM 2993 CD1 PHE A 499 12.358 13.847 -1.443 1.00 10.68 0.007 A +ATOM 2994 CD2 PHE A 499 13.622 12.165 -0.219 1.00 10.57 0.007 A +ATOM 2995 CE1 PHE A 499 13.307 13.808 -2.479 1.00 10.30 0.001 A +ATOM 2996 CE2 PHE A 499 14.589 12.158 -1.237 1.00 11.79 0.001 A +ATOM 2997 CZ PHE A 499 14.440 12.988 -2.363 1.00 12.86 0.000 A +ATOM 2998 H PHE A 499 13.242 14.782 1.896 1.00 8.11 0.163 HD +ATOM 2999 N HIS A 500 10.302 14.854 3.569 1.00 8.49 -0.346 N +ATOM 3000 CA HIS A 500 9.287 15.101 4.584 1.00 9.92 0.182 C +ATOM 3001 C HIS A 500 8.482 16.388 4.369 1.00 10.79 0.241 C +ATOM 3002 O HIS A 500 7.389 16.469 4.921 1.00 11.61 -0.271 OA +ATOM 3003 CB HIS A 500 9.939 15.184 5.973 1.00 10.16 0.093 C +ATOM 3004 CG HIS A 500 9.933 13.908 6.760 1.00 9.60 0.030 A +ATOM 3005 CD2 HIS A 500 10.948 13.252 7.406 1.00 9.00 0.143 A +ATOM 3006 ND1 HIS A 500 8.793 13.160 6.994 1.00 9.42 -0.353 N +ATOM 3007 CE1 HIS A 500 9.156 12.105 7.724 1.00 11.14 0.207 A +ATOM 3008 NE2 HIS A 500 10.446 12.101 8.013 1.00 9.14 -0.254 N +ATOM 3009 H HIS A 500 11.269 14.960 3.846 1.00 8.49 0.163 HD +ATOM 3010 HD1 HIS A 500 7.870 13.338 6.620 1.00 9.42 0.166 HD +ATOM 3011 N GLN A 501 8.972 17.376 3.591 1.00 11.04 -0.346 N +ATOM 3012 CA GLN A 501 8.252 18.623 3.307 1.00 11.50 0.177 C +ATOM 3013 C GLN A 501 6.875 18.398 2.648 1.00 12.68 0.241 C +ATOM 3014 O GLN A 501 5.966 19.188 2.883 1.00 14.29 -0.271 OA +ATOM 3015 CB GLN A 501 9.134 19.624 2.526 1.00 12.86 0.044 C +ATOM 3016 CG GLN A 501 8.479 20.986 2.166 1.00 16.00 0.105 C +ATOM 3017 CD GLN A 501 8.070 21.863 3.357 1.00 18.75 0.215 C +ATOM 3018 NE2 GLN A 501 7.333 22.942 3.092 1.00 22.35 -0.370 N +ATOM 3019 OE1 GLN A 501 8.407 21.588 4.503 1.00 17.21 -0.274 OA +ATOM 3020 H GLN A 501 9.876 17.251 3.153 1.00 11.04 0.163 HD +ATOM 3021 1HE2 GLN A 501 7.058 23.161 2.137 1.00 22.35 0.159 HD +ATOM 3022 2HE2 GLN A 501 7.051 23.551 3.844 1.00 22.35 0.159 HD +ATOM 3023 N TYR A 502 6.695 17.290 1.910 1.00 12.88 -0.346 N +ATOM 3024 CA TYR A 502 5.387 16.819 1.464 1.00 13.46 0.180 C +ATOM 3025 C TYR A 502 4.860 15.707 2.374 1.00 13.25 0.241 C +ATOM 3026 O TYR A 502 3.769 15.853 2.922 1.00 14.59 -0.271 OA +ATOM 3027 CB TYR A 502 5.470 16.327 0.014 1.00 15.53 0.073 C +ATOM 3028 CG TYR A 502 5.282 17.474 -0.954 1.00 17.06 -0.056 A +ATOM 3029 CD1 TYR A 502 3.991 17.824 -1.398 1.00 19.99 0.010 A +ATOM 3030 CD2 TYR A 502 6.395 18.215 -1.386 1.00 19.72 0.010 A +ATOM 3031 CE1 TYR A 502 3.823 18.884 -2.309 1.00 20.97 0.037 A +ATOM 3032 CE2 TYR A 502 6.229 19.275 -2.292 1.00 20.77 0.037 A +ATOM 3033 CZ TYR A 502 4.948 19.588 -2.780 1.00 21.49 0.065 A +ATOM 3034 OH TYR A 502 4.805 20.560 -3.724 1.00 23.40 -0.361 OA +ATOM 3035 H TYR A 502 7.491 16.685 1.758 1.00 12.88 0.163 HD +ATOM 3036 HH TYR A 502 5.614 21.031 -3.880 1.00 23.40 0.217 HD +ATOM 3037 N THR A 503 5.617 14.611 2.543 1.00 12.53 -0.344 N +ATOM 3038 CA THR A 503 5.190 13.424 3.286 1.00 11.96 0.205 C +ATOM 3039 C THR A 503 5.636 13.523 4.755 1.00 12.04 0.243 C +ATOM 3040 O THR A 503 6.510 12.789 5.212 1.00 11.96 -0.271 OA +ATOM 3041 CB THR A 503 5.730 12.159 2.570 1.00 11.82 0.146 C +ATOM 3042 CG2 THR A 503 5.110 11.977 1.179 1.00 13.29 0.042 C +ATOM 3043 OG1 THR A 503 7.138 12.153 2.444 1.00 9.60 -0.393 OA +ATOM 3044 H THR A 503 6.519 14.561 2.089 1.00 12.53 0.163 HD +ATOM 3045 HG1 THR A 503 7.518 12.127 3.313 1.00 9.60 0.210 HD +ATOM 3046 N GLY A 504 4.996 14.440 5.493 1.00 11.83 -0.350 N +ATOM 3047 CA GLY A 504 5.180 14.664 6.919 1.00 12.38 0.225 C +ATOM 3048 C GLY A 504 4.806 16.087 7.343 1.00 13.69 0.236 C +ATOM 3049 O GLY A 504 4.189 16.254 8.394 1.00 14.24 -0.272 OA +ATOM 3050 H GLY A 504 4.279 14.991 5.039 1.00 11.83 0.163 HD +ATOM 3051 N ASN A 505 5.181 17.109 6.554 1.00 13.28 -0.346 N +ATOM 3052 CA ASN A 505 4.973 18.517 6.897 1.00 14.19 0.185 C +ATOM 3053 C ASN A 505 3.684 19.030 6.249 1.00 16.15 0.241 C +ATOM 3054 O ASN A 505 2.792 19.442 6.985 1.00 18.26 -0.271 OA +ATOM 3055 CB ASN A 505 6.158 19.412 6.456 1.00 12.94 0.137 C +ATOM 3056 CG ASN A 505 7.525 19.155 7.119 1.00 13.41 0.217 C +ATOM 3057 ND2 ASN A 505 7.682 18.111 7.929 1.00 14.95 -0.370 N +ATOM 3058 OD1 ASN A 505 8.461 19.916 6.894 1.00 12.88 -0.274 OA +ATOM 3059 H ASN A 505 5.720 16.900 5.723 1.00 13.28 0.163 HD +ATOM 3060 1HD2 ASN A 505 6.920 17.472 8.110 1.00 14.95 0.159 HD +ATOM 3061 2HD2 ASN A 505 8.581 17.960 8.363 1.00 14.95 0.159 HD +ATOM 3062 N ARG A 506 3.547 18.991 4.911 1.00 16.03 -0.346 N +ATOM 3063 CA ARG A 506 2.323 19.424 4.225 1.00 17.08 0.176 C +ATOM 3064 C ARG A 506 1.191 18.411 4.447 1.00 17.71 0.241 C +ATOM 3065 O ARG A 506 0.156 18.791 4.988 1.00 17.73 -0.271 OA +ATOM 3066 CB ARG A 506 2.579 19.618 2.723 1.00 16.39 0.036 C +ATOM 3067 CG ARG A 506 3.367 20.903 2.414 1.00 17.77 0.023 C +ATOM 3068 CD ARG A 506 3.857 20.969 0.964 1.00 20.55 0.138 C +ATOM 3069 NE ARG A 506 2.745 21.199 0.028 1.00 22.92 -0.227 N +ATOM 3070 CZ ARG A 506 2.815 21.871 -1.132 1.00 24.41 0.665 C +ATOM 3071 NH1 ARG A 506 3.957 22.433 -1.536 1.00 25.37 -0.235 N +ATOM 3072 NH2 ARG A 506 1.731 21.977 -1.908 1.00 21.57 -0.235 N +ATOM 3073 H ARG A 506 4.312 18.649 4.345 1.00 16.03 0.163 HD +ATOM 3074 HE ARG A 506 1.866 20.735 0.246 1.00 22.92 0.177 HD +ATOM 3075 HH11 ARG A 506 4.779 22.387 -0.950 1.00 25.37 0.174 HD +ATOM 3076 HH12 ARG A 506 4.018 22.894 -2.438 1.00 25.37 0.174 HD +ATOM 3077 HH21 ARG A 506 0.851 21.547 -1.630 1.00 21.57 0.174 HD +ATOM 3078 HH22 ARG A 506 1.775 22.479 -2.782 1.00 21.57 0.174 HD +ATOM 3079 N VAL A 507 1.395 17.125 4.122 1.00 17.22 -0.346 N +ATOM 3080 CA VAL A 507 0.491 16.059 4.550 1.00 17.35 0.180 C +ATOM 3081 C VAL A 507 1.050 15.561 5.891 1.00 17.48 0.241 C +ATOM 3082 O VAL A 507 2.109 14.939 5.925 1.00 15.96 -0.271 OA +ATOM 3083 CB VAL A 507 0.461 14.898 3.520 1.00 17.21 0.009 C +ATOM 3084 CG1 VAL A 507 -0.623 13.884 3.920 1.00 16.97 0.012 C +ATOM 3085 CG2 VAL A 507 0.215 15.378 2.080 1.00 20.07 0.012 C +ATOM 3086 H VAL A 507 2.266 16.852 3.686 1.00 17.22 0.163 HD +ATOM 3087 N THR A 508 0.353 15.876 6.992 1.00 18.08 -0.344 N +ATOM 3088 CA THR A 508 0.782 15.610 8.369 1.00 19.07 0.205 C +ATOM 3089 C THR A 508 0.122 14.306 8.870 1.00 17.19 0.243 C +ATOM 3090 O THR A 508 -0.628 13.656 8.142 1.00 19.88 -0.271 OA +ATOM 3091 CB THR A 508 0.357 16.833 9.234 1.00 19.90 0.146 C +ATOM 3092 CG2 THR A 508 0.956 16.876 10.649 1.00 21.04 0.042 C +ATOM 3093 OG1 THR A 508 0.799 18.031 8.622 1.00 27.33 -0.393 OA +ATOM 3094 H THR A 508 -0.506 16.394 6.872 1.00 18.08 0.163 HD +ATOM 3095 HG1 THR A 508 1.739 17.994 8.516 1.00 27.33 0.210 HD +ATOM 3096 N LEU A 509 0.426 13.900 10.110 1.00 16.12 -0.346 N +ATOM 3097 CA LEU A 509 -0.205 12.786 10.813 1.00 15.56 0.177 C +ATOM 3098 C LEU A 509 -1.378 13.308 11.656 1.00 15.42 0.241 C +ATOM 3099 O LEU A 509 -1.304 14.392 12.235 1.00 15.04 -0.271 OA +ATOM 3100 CB LEU A 509 0.806 12.184 11.810 1.00 15.84 0.038 C +ATOM 3101 CG LEU A 509 2.137 11.701 11.208 1.00 16.93 -0.020 C +ATOM 3102 CD1 LEU A 509 2.990 11.063 12.310 1.00 15.42 0.009 C +ATOM 3103 CD2 LEU A 509 1.944 10.731 10.034 1.00 16.44 0.009 C +ATOM 3104 H LEU A 509 1.063 14.467 10.650 1.00 16.12 0.163 HD +ATOM 3105 N ARG A 510 -2.443 12.498 11.763 1.00 14.87 -0.346 N +ATOM 3106 CA ARG A 510 -3.590 12.742 12.642 1.00 14.48 0.176 C +ATOM 3107 C ARG A 510 -3.235 12.411 14.102 1.00 14.26 0.241 C +ATOM 3108 O ARG A 510 -3.694 13.085 15.018 1.00 14.53 -0.271 OA +ATOM 3109 CB ARG A 510 -4.734 11.814 12.182 1.00 15.27 0.036 C +ATOM 3110 CG ARG A 510 -6.078 12.059 12.897 1.00 14.45 0.023 C +ATOM 3111 CD ARG A 510 -7.110 10.960 12.620 1.00 16.28 0.138 C +ATOM 3112 NE ARG A 510 -6.795 9.748 13.387 1.00 18.58 -0.227 N +ATOM 3113 CZ ARG A 510 -7.544 8.639 13.488 1.00 22.18 0.665 C +ATOM 3114 NH1 ARG A 510 -8.727 8.520 12.873 1.00 23.91 -0.235 N +ATOM 3115 NH2 ARG A 510 -7.083 7.627 14.230 1.00 22.20 -0.235 N +ATOM 3116 H ARG A 510 -2.440 11.636 11.236 1.00 14.87 0.163 HD +ATOM 3117 HE ARG A 510 -5.911 9.748 13.889 1.00 18.58 0.177 HD +ATOM 3118 HH11 ARG A 510 -9.109 9.292 12.335 1.00 23.91 0.174 HD +ATOM 3119 HH12 ARG A 510 -9.259 7.666 12.944 1.00 23.91 0.174 HD +ATOM 3120 HH21 ARG A 510 -6.187 7.747 14.696 1.00 22.20 0.174 HD +ATOM 3121 HH22 ARG A 510 -7.612 6.777 14.348 1.00 22.20 0.174 HD +ATOM 3122 N ASP A 511 -2.415 11.375 14.304 1.00 13.10 -0.346 N +ATOM 3123 CA ASP A 511 -1.954 10.881 15.593 1.00 12.67 0.186 C +ATOM 3124 C ASP A 511 -0.617 10.165 15.379 1.00 12.29 0.241 C +ATOM 3125 O ASP A 511 -0.225 9.877 14.247 1.00 11.71 -0.271 OA +ATOM 3126 CB ASP A 511 -3.049 10.026 16.277 1.00 13.73 0.147 C +ATOM 3127 CG ASP A 511 -3.481 8.791 15.484 1.00 17.11 0.175 C +ATOM 3128 OD1 ASP A 511 -2.664 7.854 15.385 1.00 19.00 -0.648 OA +ATOM 3129 OD2 ASP A 511 -4.615 8.802 14.964 1.00 21.29 -0.648 OA +ATOM 3130 H ASP A 511 -2.059 10.889 13.493 1.00 13.10 0.163 HD +ATOM 3131 N TRP A 512 0.082 9.861 16.478 1.00 11.47 -0.346 N +ATOM 3132 CA TRP A 512 1.400 9.245 16.432 1.00 10.77 0.181 C +ATOM 3133 C TRP A 512 1.409 7.747 16.112 1.00 10.46 0.241 C +ATOM 3134 O TRP A 512 2.477 7.234 15.792 1.00 11.14 -0.271 OA +ATOM 3135 CB TRP A 512 2.114 9.467 17.767 1.00 11.33 0.075 C +ATOM 3136 CG TRP A 512 2.595 10.865 17.980 1.00 10.83 -0.028 A +ATOM 3137 CD1 TRP A 512 2.270 11.674 19.010 1.00 13.01 0.096 A +ATOM 3138 CD2 TRP A 512 3.482 11.636 17.120 1.00 10.45 -0.002 A +ATOM 3139 CE2 TRP A 512 3.615 12.946 17.669 1.00 10.65 0.042 A +ATOM 3140 CE3 TRP A 512 4.180 11.362 15.921 1.00 11.19 0.014 A +ATOM 3141 NE1 TRP A 512 2.878 12.901 18.834 1.00 10.34 -0.365 N +ATOM 3142 CZ2 TRP A 512 4.370 13.947 17.032 1.00 11.81 0.030 A +ATOM 3143 CZ3 TRP A 512 4.941 12.355 15.278 1.00 11.18 0.001 A +ATOM 3144 CH2 TRP A 512 5.028 13.645 15.827 1.00 10.67 0.002 A +ATOM 3145 H TRP A 512 -0.305 10.077 17.388 1.00 11.47 0.163 HD +ATOM 3146 HE1 TRP A 512 2.740 13.674 19.472 1.00 10.34 0.165 HD +ATOM 3147 N PHE A 513 0.257 7.054 16.107 1.00 11.98 -0.346 N +ATOM 3148 CA PHE A 513 0.169 5.669 15.634 1.00 12.88 0.180 C +ATOM 3149 C PHE A 513 0.288 5.593 14.103 1.00 12.61 0.241 C +ATOM 3150 O PHE A 513 0.660 4.548 13.578 1.00 12.16 -0.271 OA +ATOM 3151 CB PHE A 513 -1.163 5.036 16.069 1.00 14.25 0.073 C +ATOM 3152 CG PHE A 513 -1.349 5.027 17.571 1.00 14.94 -0.056 A +ATOM 3153 CD1 PHE A 513 -0.686 4.056 18.344 1.00 15.49 0.007 A +ATOM 3154 CD2 PHE A 513 -2.142 6.006 18.206 1.00 13.65 0.007 A +ATOM 3155 CE1 PHE A 513 -0.835 4.046 19.740 1.00 18.33 0.001 A +ATOM 3156 CE2 PHE A 513 -2.272 6.009 19.607 1.00 16.33 0.001 A +ATOM 3157 CZ PHE A 513 -1.620 5.026 20.371 1.00 17.35 0.000 A +ATOM 3158 H PHE A 513 -0.606 7.528 16.339 1.00 11.98 0.163 HD +ATOM 3159 N GLN A 514 0.057 6.711 13.396 1.00 11.56 -0.346 N +ATOM 3160 CA GLN A 514 0.225 6.834 11.953 1.00 11.73 0.177 C +ATOM 3161 C GLN A 514 1.692 7.111 11.561 1.00 10.39 0.241 C +ATOM 3162 O GLN A 514 1.918 7.386 10.392 1.00 10.63 -0.271 OA +ATOM 3163 CB GLN A 514 -0.633 8.022 11.433 1.00 10.83 0.044 C +ATOM 3164 CG GLN A 514 -2.097 8.084 11.908 1.00 13.42 0.105 C +ATOM 3165 CD GLN A 514 -2.870 6.771 11.783 1.00 14.00 0.215 C +ATOM 3166 NE2 GLN A 514 -3.687 6.471 12.792 1.00 17.09 -0.370 N +ATOM 3167 OE1 GLN A 514 -2.732 6.037 10.805 1.00 14.58 -0.274 OA +ATOM 3168 H GLN A 514 -0.232 7.540 13.899 1.00 11.56 0.163 HD +ATOM 3169 1HE2 GLN A 514 -3.733 7.094 13.592 1.00 17.09 0.159 HD +ATOM 3170 2HE2 GLN A 514 -4.247 5.630 12.773 1.00 17.09 0.159 HD +ATOM 3171 N LEU A 515 2.680 7.065 12.482 1.00 9.14 -0.346 N +ATOM 3172 CA LEU A 515 4.100 7.398 12.260 1.00 9.35 0.177 C +ATOM 3173 C LEU A 515 4.749 6.833 10.979 1.00 9.85 0.241 C +ATOM 3174 O LEU A 515 5.473 7.564 10.306 1.00 9.27 -0.271 OA +ATOM 3175 CB LEU A 515 4.944 7.131 13.532 1.00 8.84 0.038 C +ATOM 3176 CG LEU A 515 6.425 7.571 13.448 1.00 8.52 -0.020 C +ATOM 3177 CD1 LEU A 515 6.555 9.089 13.270 1.00 10.30 0.009 C +ATOM 3178 CD2 LEU A 515 7.232 7.117 14.668 1.00 9.48 0.009 C +ATOM 3179 H LEU A 515 2.422 6.826 13.429 1.00 9.14 0.163 HD +ATOM 3180 N THR A 516 4.457 5.572 10.617 1.00 9.53 -0.344 N +ATOM 3181 CA THR A 516 4.938 4.897 9.404 1.00 10.52 0.205 C +ATOM 3182 C THR A 516 4.413 5.516 8.087 1.00 11.24 0.243 C +ATOM 3183 O THR A 516 5.015 5.302 7.036 1.00 11.25 -0.271 OA +ATOM 3184 CB THR A 516 4.589 3.390 9.494 1.00 11.58 0.146 C +ATOM 3185 CG2 THR A 516 3.087 3.064 9.374 1.00 11.67 0.042 C +ATOM 3186 OG1 THR A 516 5.277 2.661 8.500 1.00 11.57 -0.393 OA +ATOM 3187 H THR A 516 3.867 5.035 11.240 1.00 9.53 0.163 HD +ATOM 3188 HG1 THR A 516 6.207 2.741 8.665 1.00 11.57 0.210 HD +ATOM 3189 N LEU A 517 3.327 6.310 8.142 1.00 10.89 -0.346 N +ATOM 3190 CA LEU A 517 2.773 7.060 7.016 1.00 12.68 0.177 C +ATOM 3191 C LEU A 517 3.740 8.145 6.539 1.00 12.20 0.241 C +ATOM 3192 O LEU A 517 3.849 8.337 5.332 1.00 13.64 -0.271 OA +ATOM 3193 CB LEU A 517 1.447 7.729 7.432 1.00 12.46 0.038 C +ATOM 3194 CG LEU A 517 0.719 8.534 6.339 1.00 14.83 -0.020 C +ATOM 3195 CD1 LEU A 517 0.304 7.661 5.152 1.00 15.98 0.009 C +ATOM 3196 CD2 LEU A 517 -0.480 9.262 6.952 1.00 15.40 0.009 C +ATOM 3197 H LEU A 517 2.887 6.454 9.042 1.00 10.89 0.163 HD +ATOM 3198 N LYS A 518 4.438 8.829 7.464 1.00 12.08 -0.346 N +ATOM 3199 CA LYS A 518 5.467 9.794 7.106 1.00 11.39 0.176 C +ATOM 3200 C LYS A 518 6.846 9.131 7.120 1.00 11.58 0.241 C +ATOM 3201 O LYS A 518 7.600 9.370 6.188 1.00 12.19 -0.271 OA +ATOM 3202 CB LYS A 518 5.413 11.052 8.002 1.00 11.81 0.035 C +ATOM 3203 CG LYS A 518 5.898 10.982 9.461 1.00 12.29 0.004 C +ATOM 3204 CD LYS A 518 5.838 12.384 10.088 1.00 9.97 0.027 C +ATOM 3205 CE LYS A 518 6.362 12.464 11.525 1.00 12.12 0.229 C +ATOM 3206 NZ LYS A 518 7.827 12.515 11.578 1.00 14.33 -0.079 N +ATOM 3207 H LYS A 518 4.301 8.612 8.442 1.00 12.08 0.163 HD +ATOM 3208 HZ1 LYS A 518 8.192 13.307 11.060 1.00 14.33 0.274 HD +ATOM 3209 HZ2 LYS A 518 8.097 12.620 12.553 1.00 14.33 0.274 HD +ATOM 3210 HZ3 LYS A 518 8.241 11.662 11.222 1.00 14.33 0.274 HD +ATOM 3211 N GLU A 519 7.194 8.295 8.114 1.00 10.26 -0.346 N +ATOM 3212 CA GLU A 519 8.556 7.774 8.254 1.00 9.29 0.177 C +ATOM 3213 C GLU A 519 8.854 6.629 7.289 1.00 8.58 0.240 C +ATOM 3214 O GLU A 519 9.882 6.685 6.621 1.00 8.55 -0.271 OA +ATOM 3215 CB GLU A 519 8.816 7.294 9.701 1.00 9.68 0.045 C +ATOM 3216 CG GLU A 519 8.852 8.432 10.744 1.00 9.78 0.116 C +ATOM 3217 CD GLU A 519 9.893 9.523 10.477 1.00 10.55 0.289 C +ATOM 3218 OE1 GLU A 519 10.787 9.293 9.641 1.00 11.90 -0.150 OA +ATOM 3219 OE2 GLU A 519 9.779 10.593 11.111 1.00 8.49 -0.263 OA +ATOM 3220 H GLU A 519 6.530 8.095 8.852 1.00 10.26 0.163 HD +ATOM 3221 N GLY A 520 7.955 5.645 7.149 1.00 9.49 -0.351 N +ATOM 3222 CA GLY A 520 8.084 4.562 6.179 1.00 8.97 0.225 C +ATOM 3223 C GLY A 520 8.072 5.066 4.730 1.00 9.22 0.236 C +ATOM 3224 O GLY A 520 8.910 4.656 3.930 1.00 9.56 -0.272 OA +ATOM 3225 H GLY A 520 7.106 5.678 7.695 1.00 9.49 0.163 HD +ATOM 3226 N LEU A 521 7.176 6.016 4.416 1.00 8.16 -0.346 N +ATOM 3227 CA LEU A 521 7.033 6.611 3.088 1.00 8.41 0.177 C +ATOM 3228 C LEU A 521 8.212 7.526 2.721 1.00 8.03 0.241 C +ATOM 3229 O LEU A 521 8.595 7.553 1.554 1.00 9.41 -0.271 OA +ATOM 3230 CB LEU A 521 5.717 7.410 3.069 1.00 8.85 0.038 C +ATOM 3231 CG LEU A 521 5.284 8.026 1.721 1.00 11.35 -0.020 C +ATOM 3232 CD1 LEU A 521 5.199 6.990 0.591 1.00 10.59 0.009 C +ATOM 3233 CD2 LEU A 521 3.940 8.742 1.900 1.00 10.68 0.009 C +ATOM 3234 H LEU A 521 6.532 6.318 5.133 1.00 8.16 0.163 HD +ATOM 3235 N THR A 522 8.805 8.243 3.693 1.00 7.37 -0.344 N +ATOM 3236 CA THR A 522 9.942 9.134 3.450 1.00 8.06 0.205 C +ATOM 3237 C THR A 522 11.263 8.344 3.385 1.00 7.47 0.243 C +ATOM 3238 O THR A 522 12.144 8.760 2.634 1.00 7.62 -0.271 OA +ATOM 3239 CB THR A 522 10.029 10.215 4.550 1.00 8.15 0.146 C +ATOM 3240 CG2 THR A 522 11.162 11.216 4.340 1.00 8.75 0.042 C +ATOM 3241 OG1 THR A 522 8.877 11.025 4.480 1.00 7.56 -0.393 OA +ATOM 3242 H THR A 522 8.445 8.183 4.635 1.00 7.37 0.163 HD +ATOM 3243 HG1 THR A 522 8.153 10.528 4.839 1.00 7.56 0.210 HD +ATOM 3244 N VAL A 523 11.402 7.198 4.089 1.00 7.98 -0.346 N +ATOM 3245 CA VAL A 523 12.508 6.253 3.874 1.00 7.74 0.180 C +ATOM 3246 C VAL A 523 12.410 5.660 2.453 1.00 8.69 0.241 C +ATOM 3247 O VAL A 523 13.428 5.607 1.775 1.00 8.86 -0.271 OA +ATOM 3248 CB VAL A 523 12.571 5.135 4.962 1.00 7.56 0.009 C +ATOM 3249 CG1 VAL A 523 13.566 3.997 4.623 1.00 6.97 0.012 C +ATOM 3250 CG2 VAL A 523 12.954 5.644 6.360 1.00 7.80 0.012 C +ATOM 3251 H VAL A 523 10.656 6.912 4.711 1.00 7.98 0.163 HD +ATOM 3252 N HIS A 524 11.207 5.285 1.978 1.00 8.52 -0.346 N +ATOM 3253 CA HIS A 524 10.960 4.810 0.612 1.00 8.97 0.182 C +ATOM 3254 C HIS A 524 11.300 5.864 -0.466 1.00 8.73 0.241 C +ATOM 3255 O HIS A 524 11.920 5.519 -1.470 1.00 8.91 -0.271 OA +ATOM 3256 CB HIS A 524 9.500 4.313 0.490 1.00 9.11 0.095 C +ATOM 3257 CG HIS A 524 9.026 4.068 -0.923 1.00 10.11 0.053 A +ATOM 3258 CD2 HIS A 524 8.041 4.727 -1.625 1.00 15.25 0.116 A +ATOM 3259 ND1 HIS A 524 9.604 3.109 -1.757 1.00 12.45 -0.247 NA +ATOM 3260 CE1 HIS A 524 8.986 3.247 -2.921 1.00 13.55 0.207 A +ATOM 3261 NE2 HIS A 524 8.035 4.178 -2.894 1.00 14.21 -0.359 N +ATOM 3262 H HIS A 524 10.408 5.354 2.594 1.00 8.52 0.163 HD +ATOM 3263 HE2 HIS A 524 7.432 4.447 -3.659 1.00 0.00 0.166 HD +ATOM 3264 N ARG A 525 10.935 7.140 -0.253 1.00 8.85 -0.346 N +ATOM 3265 CA ARG A 525 11.245 8.261 -1.149 1.00 9.44 0.176 C +ATOM 3266 C ARG A 525 12.744 8.603 -1.160 1.00 8.94 0.241 C +ATOM 3267 O ARG A 525 13.276 8.951 -2.214 1.00 9.36 -0.271 OA +ATOM 3268 CB ARG A 525 10.426 9.494 -0.713 1.00 9.64 0.036 C +ATOM 3269 CG ARG A 525 8.959 9.390 -1.164 1.00 8.85 0.023 C +ATOM 3270 CD ARG A 525 7.958 10.255 -0.382 1.00 10.32 0.138 C +ATOM 3271 NE ARG A 525 8.304 11.681 -0.289 1.00 12.92 -0.227 N +ATOM 3272 CZ ARG A 525 8.387 12.582 -1.282 1.00 13.00 0.665 C +ATOM 3273 NH1 ARG A 525 8.221 12.245 -2.564 1.00 13.83 -0.235 N +ATOM 3274 NH2 ARG A 525 8.645 13.859 -0.985 1.00 13.19 -0.235 N +ATOM 3275 H ARG A 525 10.406 7.348 0.584 1.00 8.85 0.163 HD +ATOM 3276 HE ARG A 525 8.390 12.026 0.659 1.00 12.92 0.177 HD +ATOM 3277 HH11 ARG A 525 8.004 11.297 -2.830 1.00 13.83 0.174 HD +ATOM 3278 HH12 ARG A 525 8.386 12.943 -3.285 1.00 13.83 0.174 HD +ATOM 3279 HH21 ARG A 525 8.740 14.152 -0.020 1.00 13.19 0.174 HD +ATOM 3280 HH22 ARG A 525 8.783 14.540 -1.727 1.00 13.19 0.174 HD +ATOM 3281 N GLU A 526 13.430 8.447 -0.014 1.00 9.57 -0.346 N +ATOM 3282 CA GLU A 526 14.881 8.553 0.116 1.00 9.57 0.177 C +ATOM 3283 C GLU A 526 15.599 7.387 -0.584 1.00 9.66 0.241 C +ATOM 3284 O GLU A 526 16.649 7.601 -1.183 1.00 9.50 -0.271 OA +ATOM 3285 CB GLU A 526 15.246 8.651 1.618 1.00 10.27 0.045 C +ATOM 3286 CG GLU A 526 16.751 8.700 1.966 1.00 11.06 0.116 C +ATOM 3287 CD GLU A 526 17.465 7.349 1.934 1.00 13.75 0.172 C +ATOM 3288 OE1 GLU A 526 16.996 6.418 2.616 1.00 13.50 -0.648 OA +ATOM 3289 OE2 GLU A 526 18.462 7.245 1.197 1.00 14.07 -0.648 OA +ATOM 3290 H GLU A 526 12.916 8.176 0.814 1.00 9.57 0.163 HD +ATOM 3291 N ASN A 527 15.048 6.164 -0.511 1.00 9.29 -0.346 N +ATOM 3292 CA ASN A 527 15.595 4.962 -1.140 1.00 10.20 0.185 C +ATOM 3293 C ASN A 527 15.562 5.068 -2.669 1.00 10.50 0.241 C +ATOM 3294 O ASN A 527 16.581 4.807 -3.300 1.00 10.11 -0.271 OA +ATOM 3295 CB ASN A 527 14.817 3.706 -0.685 1.00 10.27 0.137 C +ATOM 3296 CG ASN A 527 15.116 3.176 0.725 1.00 16.15 0.217 C +ATOM 3297 ND2 ASN A 527 15.865 3.903 1.550 1.00 20.06 -0.370 N +ATOM 3298 OD1 ASN A 527 14.659 2.093 1.075 1.00 15.72 -0.274 OA +ATOM 3299 H ASN A 527 14.202 6.057 0.034 1.00 9.29 0.163 HD +ATOM 3300 1HD2 ASN A 527 16.188 4.821 1.275 1.00 20.06 0.159 HD +ATOM 3301 2HD2 ASN A 527 16.051 3.568 2.484 1.00 20.06 0.159 HD +ATOM 3302 N LEU A 528 14.445 5.540 -3.254 1.00 9.16 -0.346 N +ATOM 3303 CA LEU A 528 14.319 5.836 -4.686 1.00 9.91 0.177 C +ATOM 3304 C LEU A 528 15.301 6.927 -5.143 1.00 9.34 0.241 C +ATOM 3305 O LEU A 528 15.915 6.791 -6.200 1.00 10.89 -0.271 OA +ATOM 3306 CB LEU A 528 12.880 6.292 -5.010 1.00 10.83 0.038 C +ATOM 3307 CG LEU A 528 11.785 5.220 -4.873 1.00 12.70 -0.020 C +ATOM 3308 CD1 LEU A 528 10.401 5.875 -5.005 1.00 12.95 0.009 C +ATOM 3309 CD2 LEU A 528 11.950 4.085 -5.896 1.00 16.05 0.009 C +ATOM 3310 H LEU A 528 13.644 5.733 -2.668 1.00 9.16 0.163 HD +ATOM 3311 N PHE A 529 15.478 7.974 -4.320 1.00 8.80 -0.346 N +ATOM 3312 CA PHE A 529 16.433 9.057 -4.520 1.00 9.23 0.180 C +ATOM 3313 C PHE A 529 17.880 8.553 -4.537 1.00 10.09 0.241 C +ATOM 3314 O PHE A 529 18.572 8.765 -5.527 1.00 10.04 -0.271 OA +ATOM 3315 CB PHE A 529 16.225 10.113 -3.420 1.00 8.93 0.073 C +ATOM 3316 CG PHE A 529 17.275 11.206 -3.330 1.00 8.07 -0.056 A +ATOM 3317 CD1 PHE A 529 17.571 11.977 -4.467 1.00 9.72 0.007 A +ATOM 3318 CD2 PHE A 529 17.958 11.456 -2.119 1.00 10.00 0.007 A +ATOM 3319 CE1 PHE A 529 18.519 13.007 -4.395 1.00 11.92 0.001 A +ATOM 3320 CE2 PHE A 529 18.901 12.498 -2.048 1.00 11.08 0.001 A +ATOM 3321 CZ PHE A 529 19.180 13.278 -3.184 1.00 11.18 0.000 A +ATOM 3322 H PHE A 529 14.920 8.008 -3.478 1.00 8.80 0.163 HD +ATOM 3323 N SER A 530 18.330 7.885 -3.463 1.00 9.80 -0.344 N +ATOM 3324 CA SER A 530 19.704 7.415 -3.311 1.00 9.72 0.200 C +ATOM 3325 C SER A 530 20.092 6.355 -4.351 1.00 10.51 0.243 C +ATOM 3326 O SER A 530 21.223 6.385 -4.825 1.00 10.86 -0.271 OA +ATOM 3327 CB SER A 530 19.933 6.874 -1.889 1.00 11.05 0.199 C +ATOM 3328 OG SER A 530 20.125 7.954 -1.000 1.00 10.72 -0.398 OA +ATOM 3329 H SER A 530 17.698 7.741 -2.685 1.00 9.80 0.163 HD +ATOM 3330 HG SER A 530 19.273 8.263 -0.721 1.00 10.72 0.209 HD +ATOM 3331 N GLU A 531 19.164 5.472 -4.760 1.00 10.61 -0.346 N +ATOM 3332 CA GLU A 531 19.381 4.479 -5.818 1.00 12.67 0.177 C +ATOM 3333 C GLU A 531 19.596 5.143 -7.193 1.00 12.77 0.241 C +ATOM 3334 O GLU A 531 20.397 4.643 -7.982 1.00 12.44 -0.271 OA +ATOM 3335 CB GLU A 531 18.175 3.518 -5.884 1.00 12.48 0.045 C +ATOM 3336 CG GLU A 531 18.143 2.515 -4.711 1.00 13.85 0.116 C +ATOM 3337 CD GLU A 531 16.901 1.623 -4.704 1.00 16.90 0.172 C +ATOM 3338 OE1 GLU A 531 16.477 1.203 -5.803 1.00 21.98 -0.648 OA +ATOM 3339 OE2 GLU A 531 16.396 1.344 -3.595 1.00 19.73 -0.648 OA +ATOM 3340 H GLU A 531 18.247 5.499 -4.333 1.00 10.61 0.163 HD +ATOM 3341 N GLU A 532 18.936 6.288 -7.451 1.00 11.64 -0.346 N +ATOM 3342 CA GLU A 532 19.095 7.079 -8.671 1.00 13.44 0.177 C +ATOM 3343 C GLU A 532 20.371 7.946 -8.642 1.00 12.46 0.241 C +ATOM 3344 O GLU A 532 20.968 8.160 -9.694 1.00 14.21 -0.271 OA +ATOM 3345 CB GLU A 532 17.840 7.975 -8.846 1.00 14.26 0.045 C +ATOM 3346 CG GLU A 532 17.785 8.833 -10.134 1.00 19.31 0.116 C +ATOM 3347 CD GLU A 532 17.816 8.015 -11.429 1.00 27.58 0.172 C +ATOM 3348 OE1 GLU A 532 17.249 6.900 -11.435 1.00 30.70 -0.648 OA +ATOM 3349 OE2 GLU A 532 18.425 8.508 -12.403 1.00 30.63 -0.648 OA +ATOM 3350 H GLU A 532 18.302 6.645 -6.750 1.00 11.64 0.163 HD +ATOM 3351 N MET A 533 20.803 8.438 -7.465 1.00 11.72 -0.346 N +ATOM 3352 CA MET A 533 21.957 9.334 -7.330 1.00 12.37 0.177 C +ATOM 3353 C MET A 533 23.293 8.577 -7.291 1.00 12.53 0.241 C +ATOM 3354 O MET A 533 24.263 9.053 -7.880 1.00 13.79 -0.271 OA +ATOM 3355 CB MET A 533 21.854 10.133 -6.013 1.00 11.94 0.045 C +ATOM 3356 CG MET A 533 20.784 11.234 -5.990 1.00 13.10 0.076 C +ATOM 3357 SD MET A 533 20.868 12.498 -7.288 1.00 17.75 -0.173 SA +ATOM 3358 CE MET A 533 19.597 11.849 -8.407 1.00 18.53 0.089 C +ATOM 3359 H MET A 533 20.259 8.242 -6.635 1.00 11.72 0.163 HD +ATOM 3360 N THR A 534 23.356 7.421 -6.608 1.00 12.38 -0.344 N +ATOM 3361 CA THR A 534 24.570 6.610 -6.489 1.00 12.83 0.205 C +ATOM 3362 C THR A 534 24.811 5.776 -7.761 1.00 13.59 0.243 C +ATOM 3363 O THR A 534 25.960 5.650 -8.180 1.00 15.71 -0.271 OA +ATOM 3364 CB THR A 534 24.465 5.668 -5.259 1.00 12.06 0.146 C +ATOM 3365 CG2 THR A 534 24.340 6.406 -3.915 1.00 13.23 0.042 C +ATOM 3366 OG1 THR A 534 23.410 4.733 -5.393 1.00 13.30 -0.393 OA +ATOM 3367 H THR A 534 22.526 7.091 -6.135 1.00 12.38 0.163 HD +ATOM 3368 HG1 THR A 534 22.590 5.189 -5.266 1.00 13.30 0.210 HD +ATOM 3369 N LYS A 535 23.742 5.195 -8.343 1.00 15.81 -0.346 N +ATOM 3370 CA LYS A 535 23.737 4.304 -9.511 1.00 18.33 0.176 C +ATOM 3371 C LYS A 535 24.397 2.932 -9.244 1.00 17.86 0.241 C +ATOM 3372 O LYS A 535 24.755 2.227 -10.187 1.00 19.48 -0.271 OA +ATOM 3373 CB LYS A 535 24.244 5.008 -10.799 1.00 20.46 0.035 C +ATOM 3374 CG LYS A 535 23.288 6.074 -11.365 1.00 26.03 0.004 C +ATOM 3375 CD LYS A 535 21.969 5.497 -11.915 1.00 32.10 0.027 C +ATOM 3376 CE LYS A 535 21.174 6.516 -12.742 1.00 35.58 0.229 C +ATOM 3377 NZ LYS A 535 19.874 5.973 -13.171 1.00 38.36 -0.079 N +ATOM 3378 H LYS A 535 22.844 5.360 -7.912 1.00 15.81 0.163 HD +ATOM 3379 HZ1 LYS A 535 19.346 5.680 -12.361 1.00 38.36 0.274 HD +ATOM 3380 HZ2 LYS A 535 19.350 6.706 -13.632 1.00 38.36 0.274 HD +ATOM 3381 HZ3 LYS A 535 20.005 5.193 -13.798 1.00 38.36 0.274 HD +ATOM 3382 N THR A 536 24.552 2.555 -7.964 1.00 16.50 -0.344 N +ATOM 3383 CA THR A 536 25.149 1.304 -7.498 1.00 17.46 0.205 C +ATOM 3384 C THR A 536 24.043 0.381 -6.965 1.00 16.52 0.243 C +ATOM 3385 O THR A 536 23.093 0.848 -6.333 1.00 16.14 -0.271 OA +ATOM 3386 CB THR A 536 26.172 1.621 -6.375 1.00 18.68 0.146 C +ATOM 3387 CG2 THR A 536 27.330 2.513 -6.840 1.00 22.87 0.042 C +ATOM 3388 OG1 THR A 536 25.549 2.209 -5.247 1.00 20.86 -0.393 OA +ATOM 3389 H THR A 536 24.228 3.187 -7.245 1.00 16.50 0.163 HD +ATOM 3390 HG1 THR A 536 26.219 2.489 -4.635 1.00 20.86 0.210 HD +ATOM 3391 N VAL A 537 24.197 -0.938 -7.175 1.00 16.45 -0.346 N +ATOM 3392 CA VAL A 537 23.315 -1.985 -6.641 1.00 16.54 0.180 C +ATOM 3393 C VAL A 537 23.408 -2.126 -5.107 1.00 15.39 0.241 C +ATOM 3394 O VAL A 537 22.471 -2.639 -4.495 1.00 14.84 -0.271 OA +ATOM 3395 CB VAL A 537 23.615 -3.348 -7.324 1.00 17.37 0.009 C +ATOM 3396 CG1 VAL A 537 23.196 -3.341 -8.804 1.00 19.11 0.012 C +ATOM 3397 CG2 VAL A 537 25.067 -3.840 -7.160 1.00 18.97 0.012 C +ATOM 3398 H VAL A 537 24.982 -1.241 -7.735 1.00 16.45 0.163 HD +ATOM 3399 N THR A 538 24.504 -1.644 -4.489 1.00 16.61 -0.344 N +ATOM 3400 CA THR A 538 24.747 -1.673 -3.045 1.00 17.91 0.205 C +ATOM 3401 C THR A 538 23.784 -0.818 -2.219 1.00 16.69 0.243 C +ATOM 3402 O THR A 538 23.638 -1.089 -1.031 1.00 17.60 -0.271 OA +ATOM 3403 CB THR A 538 26.184 -1.240 -2.707 1.00 18.95 0.146 C +ATOM 3404 CG2 THR A 538 27.237 -2.171 -3.280 1.00 23.41 0.042 C +ATOM 3405 OG1 THR A 538 26.474 0.101 -3.054 1.00 23.11 -0.393 OA +ATOM 3406 H THR A 538 25.225 -1.238 -5.068 1.00 16.61 0.163 HD +ATOM 3407 HG1 THR A 538 26.518 0.176 -3.996 1.00 23.11 0.210 HD +ATOM 3408 N THR A 539 23.133 0.195 -2.813 1.00 15.46 -0.344 N +ATOM 3409 CA THR A 539 22.203 1.064 -2.098 1.00 14.72 0.205 C +ATOM 3410 C THR A 539 20.922 0.294 -1.735 1.00 12.89 0.243 C +ATOM 3411 O THR A 539 20.468 0.401 -0.599 1.00 13.48 -0.271 OA +ATOM 3412 CB THR A 539 21.908 2.313 -2.952 1.00 16.23 0.146 C +ATOM 3413 CG2 THR A 539 20.891 3.268 -2.315 1.00 18.01 0.042 C +ATOM 3414 OG1 THR A 539 23.104 3.055 -3.045 1.00 19.46 -0.393 OA +ATOM 3415 H THR A 539 23.295 0.373 -3.794 1.00 15.46 0.163 HD +ATOM 3416 HG1 THR A 539 23.725 2.580 -3.578 1.00 19.46 0.210 HD +ATOM 3417 N ARG A 540 20.388 -0.539 -2.645 1.00 11.33 -0.346 N +ATOM 3418 CA ARG A 540 19.262 -1.424 -2.354 1.00 9.46 0.176 C +ATOM 3419 C ARG A 540 19.696 -2.604 -1.466 1.00 7.86 0.241 C +ATOM 3420 O ARG A 540 18.991 -2.920 -0.511 1.00 8.61 -0.271 OA +ATOM 3421 CB ARG A 540 18.648 -1.941 -3.677 1.00 10.23 0.036 C +ATOM 3422 CG ARG A 540 17.456 -2.913 -3.524 1.00 9.13 0.023 C +ATOM 3423 CD ARG A 540 16.290 -2.294 -2.742 1.00 9.70 0.138 C +ATOM 3424 NE ARG A 540 15.239 -3.268 -2.443 1.00 9.42 -0.227 N +ATOM 3425 CZ ARG A 540 14.426 -3.243 -1.375 1.00 12.35 0.665 C +ATOM 3426 NH1 ARG A 540 14.483 -2.278 -0.448 1.00 11.62 -0.235 N +ATOM 3427 NH2 ARG A 540 13.528 -4.217 -1.225 1.00 7.70 -0.235 N +ATOM 3428 H ARG A 540 20.802 -0.593 -3.566 1.00 11.33 0.163 HD +ATOM 3429 HE ARG A 540 15.103 -4.011 -3.119 1.00 9.42 0.177 HD +ATOM 3430 HH11 ARG A 540 15.116 -1.495 -0.562 1.00 11.62 0.174 HD +ATOM 3431 HH12 ARG A 540 13.850 -2.289 0.349 1.00 11.62 0.174 HD +ATOM 3432 HH21 ARG A 540 13.441 -4.955 -1.912 1.00 7.70 0.174 HD +ATOM 3433 HH22 ARG A 540 12.967 -4.248 -0.375 1.00 7.70 0.174 HD +ATOM 3434 N LEU A 541 20.856 -3.224 -1.750 1.00 7.87 -0.346 N +ATOM 3435 CA LEU A 541 21.409 -4.359 -1.002 1.00 9.13 0.177 C +ATOM 3436 C LEU A 541 21.733 -4.026 0.464 1.00 9.42 0.241 C +ATOM 3437 O LEU A 541 21.501 -4.877 1.316 1.00 9.60 -0.271 OA +ATOM 3438 CB LEU A 541 22.663 -4.902 -1.726 1.00 9.83 0.038 C +ATOM 3439 CG LEU A 541 22.419 -6.114 -2.647 1.00 14.93 -0.020 C +ATOM 3440 CD1 LEU A 541 21.293 -5.891 -3.668 1.00 13.19 0.009 C +ATOM 3441 CD2 LEU A 541 23.717 -6.495 -3.374 1.00 11.60 0.009 C +ATOM 3442 H LEU A 541 21.382 -2.902 -2.551 1.00 7.87 0.163 HD +ATOM 3443 N SER A 542 22.200 -2.802 0.768 1.00 9.60 -0.344 N +ATOM 3444 CA SER A 542 22.445 -2.317 2.130 1.00 9.74 0.200 C +ATOM 3445 C SER A 542 21.147 -2.098 2.928 1.00 9.51 0.243 C +ATOM 3446 O SER A 542 21.154 -2.312 4.139 1.00 10.00 -0.271 OA +ATOM 3447 CB SER A 542 23.281 -1.016 2.091 1.00 10.11 0.199 C +ATOM 3448 OG SER A 542 22.570 0.099 1.585 1.00 12.46 -0.398 OA +ATOM 3449 H SER A 542 22.403 -2.165 0.009 1.00 9.60 0.163 HD +ATOM 3450 HG SER A 542 22.360 -0.074 0.678 1.00 12.46 0.209 HD +ATOM 3451 N HIS A 543 20.032 -1.725 2.270 1.00 7.88 -0.346 N +ATOM 3452 CA HIS A 543 18.734 -1.571 2.929 0.50 6.64 0.182 C +ATOM 3453 C HIS A 543 18.151 -2.937 3.323 1.00 8.34 0.241 C +ATOM 3454 O HIS A 543 17.621 -3.077 4.424 1.00 9.58 -0.271 OA +ATOM 3455 CB HIS A 543 17.728 -0.851 2.009 0.50 5.66 0.095 C +ATOM 3456 CG HIS A 543 16.517 -0.384 2.776 0.50 6.17 0.053 A +ATOM 3457 CD2 HIS A 543 16.381 0.721 3.591 0.50 8.24 0.116 A +ATOM 3458 ND1 HIS A 543 15.341 -1.134 2.833 0.50 8.39 -0.247 NA +ATOM 3459 CE1 HIS A 543 14.572 -0.491 3.697 0.50 8.98 0.207 A +ATOM 3460 NE2 HIS A 543 15.131 0.622 4.174 0.50 11.87 -0.359 N +ATOM 3461 H HIS A 543 20.077 -1.582 1.270 1.00 7.88 0.163 HD +ATOM 3462 HE2 HIS A 543 14.734 1.248 4.860 1.00 0.00 0.166 HD +ATOM 3463 N VAL A 544 18.286 -3.939 2.438 1.00 8.89 -0.346 N +ATOM 3464 CA VAL A 544 17.863 -5.318 2.665 1.00 8.85 0.180 C +ATOM 3465 C VAL A 544 18.770 -5.999 3.710 1.00 9.10 0.241 C +ATOM 3466 O VAL A 544 18.257 -6.724 4.559 1.00 9.88 -0.271 OA +ATOM 3467 CB VAL A 544 17.871 -6.088 1.317 1.00 8.93 0.009 C +ATOM 3468 CG1 VAL A 544 17.502 -7.572 1.488 1.00 8.16 0.012 C +ATOM 3469 CG2 VAL A 544 16.911 -5.453 0.290 1.00 10.92 0.012 C +ATOM 3470 H VAL A 544 18.725 -3.731 1.551 1.00 8.89 0.163 HD +ATOM 3471 N ASP A 545 20.089 -5.729 3.693 1.00 11.10 -0.345 N +ATOM 3472 CA ASP A 545 21.064 -6.214 4.675 1.00 12.62 0.186 C +ATOM 3473 C ASP A 545 20.752 -5.721 6.099 1.00 12.73 0.241 C +ATOM 3474 O ASP A 545 20.852 -6.504 7.040 1.00 12.92 -0.271 OA +ATOM 3475 CB ASP A 545 22.497 -5.811 4.245 1.00 13.79 0.147 C +ATOM 3476 CG ASP A 545 23.603 -6.568 4.987 1.00 18.90 0.175 C +ATOM 3477 OD1 ASP A 545 23.843 -7.738 4.617 1.00 23.45 -0.648 OA +ATOM 3478 OD2 ASP A 545 24.207 -5.960 5.896 1.00 21.19 -0.648 OA +ATOM 3479 H ASP A 545 20.443 -5.142 2.948 1.00 11.10 0.163 HD +ATOM 3480 N LEU A 546 20.325 -4.454 6.245 1.00 12.24 -0.346 N +ATOM 3481 CA LEU A 546 19.921 -3.858 7.517 1.00 13.11 0.177 C +ATOM 3482 C LEU A 546 18.560 -4.390 7.989 1.00 11.51 0.241 C +ATOM 3483 O LEU A 546 18.414 -4.661 9.178 1.00 12.07 -0.271 OA +ATOM 3484 CB LEU A 546 19.861 -2.322 7.367 1.00 14.26 0.038 C +ATOM 3485 CG LEU A 546 19.526 -1.561 8.678 1.00 18.78 -0.020 C +ATOM 3486 CD1 LEU A 546 20.464 -0.364 8.876 1.00 24.12 0.009 C +ATOM 3487 CD2 LEU A 546 18.058 -1.104 8.732 1.00 23.61 0.009 C +ATOM 3488 H LEU A 546 20.277 -3.867 5.423 1.00 12.24 0.163 HD +ATOM 3489 N LEU A 547 17.577 -4.556 7.085 1.00 10.63 -0.346 N +ATOM 3490 CA LEU A 547 16.239 -5.041 7.423 1.00 9.05 0.177 C +ATOM 3491 C LEU A 547 16.289 -6.497 7.905 1.00 8.75 0.241 C +ATOM 3492 O LEU A 547 15.765 -6.805 8.971 1.00 8.79 -0.271 OA +ATOM 3493 CB LEU A 547 15.313 -4.940 6.194 1.00 10.19 0.038 C +ATOM 3494 CG LEU A 547 13.836 -5.308 6.485 1.00 9.31 -0.020 C +ATOM 3495 CD1 LEU A 547 13.015 -4.075 6.865 1.00 11.42 0.009 C +ATOM 3496 CD2 LEU A 547 13.215 -6.035 5.299 1.00 13.81 0.009 C +ATOM 3497 H LEU A 547 17.754 -4.299 6.123 1.00 10.63 0.163 HD +ATOM 3498 N ARG A 548 16.928 -7.392 7.141 1.00 8.18 -0.346 N +ATOM 3499 CA ARG A 548 16.934 -8.814 7.458 1.00 8.67 0.176 C +ATOM 3500 C ARG A 548 17.846 -9.173 8.648 1.00 9.81 0.241 C +ATOM 3501 O ARG A 548 17.679 -10.252 9.216 1.00 10.88 -0.271 OA +ATOM 3502 CB ARG A 548 17.319 -9.626 6.216 1.00 10.60 0.036 C +ATOM 3503 CG ARG A 548 16.356 -9.439 5.028 1.00 7.86 0.023 C +ATOM 3504 CD ARG A 548 16.396 -10.609 4.040 1.00 8.13 0.138 C +ATOM 3505 NE ARG A 548 17.742 -10.829 3.498 1.00 9.25 -0.227 N +ATOM 3506 CZ ARG A 548 18.078 -11.795 2.631 1.00 10.01 0.665 C +ATOM 3507 NH1 ARG A 548 19.350 -11.926 2.242 1.00 8.52 -0.235 N +ATOM 3508 NH2 ARG A 548 17.166 -12.642 2.149 1.00 8.88 -0.235 N +ATOM 3509 H ARG A 548 17.364 -7.090 6.278 1.00 8.18 0.163 HD +ATOM 3510 HE ARG A 548 18.483 -10.231 3.847 1.00 9.25 0.177 HD +ATOM 3511 HH11 ARG A 548 20.058 -11.323 2.645 1.00 8.52 0.174 HD +ATOM 3512 HH12 ARG A 548 19.617 -12.661 1.601 1.00 8.52 0.174 HD +ATOM 3513 HH21 ARG A 548 16.197 -12.606 2.449 1.00 8.88 0.174 HD +ATOM 3514 HH22 ARG A 548 17.459 -13.379 1.515 1.00 8.88 0.174 HD +ATOM 3515 N SER A 549 18.758 -8.277 9.069 1.00 10.53 -0.344 N +ATOM 3516 CA SER A 549 19.523 -8.419 10.305 1.00 12.54 0.200 C +ATOM 3517 C SER A 549 18.784 -7.735 11.472 1.00 13.27 0.243 C +ATOM 3518 O SER A 549 18.285 -8.437 12.349 1.00 15.58 -0.271 OA +ATOM 3519 CB SER A 549 20.971 -7.905 10.113 1.00 13.37 0.199 C +ATOM 3520 OG SER A 549 21.093 -6.528 9.831 1.00 14.65 -0.398 OA +ATOM 3521 H SER A 549 18.829 -7.398 8.575 1.00 10.53 0.163 HD +ATOM 3522 HG SER A 549 20.830 -6.380 8.932 1.00 14.65 0.209 HD +ATOM 3523 N VAL A 550 18.699 -6.395 11.493 1.00 11.74 -0.346 N +ATOM 3524 CA VAL A 550 18.218 -5.594 12.622 1.00 11.54 0.180 C +ATOM 3525 C VAL A 550 16.681 -5.653 12.751 1.00 9.46 0.241 C +ATOM 3526 O VAL A 550 16.192 -5.889 13.854 1.00 9.76 -0.271 OA +ATOM 3527 CB VAL A 550 18.703 -4.119 12.468 1.00 11.66 0.009 C +ATOM 3528 CG1 VAL A 550 18.375 -3.243 13.692 1.00 16.07 0.012 C +ATOM 3529 CG2 VAL A 550 20.219 -4.023 12.209 1.00 13.79 0.012 C +ATOM 3530 H VAL A 550 19.094 -5.886 10.714 1.00 11.74 0.163 HD +ATOM 3531 N GLN A 551 15.910 -5.457 11.666 1.00 8.68 -0.346 N +ATOM 3532 CA GLN A 551 14.444 -5.416 11.741 1.00 7.29 0.177 C +ATOM 3533 C GLN A 551 13.826 -6.809 11.957 1.00 6.67 0.241 C +ATOM 3534 O GLN A 551 12.880 -6.915 12.733 1.00 7.58 -0.271 OA +ATOM 3535 CB GLN A 551 13.853 -4.722 10.491 1.00 7.33 0.044 C +ATOM 3536 CG GLN A 551 12.386 -4.262 10.643 1.00 8.23 0.105 C +ATOM 3537 CD GLN A 551 11.359 -5.366 10.395 1.00 9.07 0.215 C +ATOM 3538 NE2 GLN A 551 10.309 -5.431 11.214 1.00 9.40 -0.370 N +ATOM 3539 OE1 GLN A 551 11.516 -6.155 9.469 1.00 9.53 -0.274 OA +ATOM 3540 H GLN A 551 16.349 -5.291 10.770 1.00 8.68 0.163 HD +ATOM 3541 1HE2 GLN A 551 10.216 -4.770 11.976 1.00 9.40 0.159 HD +ATOM 3542 2HE2 GLN A 551 9.618 -6.163 11.099 1.00 9.40 0.159 HD +ATOM 3543 N PHE A 552 14.361 -7.874 11.335 1.00 6.44 -0.346 N +ATOM 3544 CA PHE A 552 13.876 -9.249 11.515 1.00 7.01 0.180 C +ATOM 3545 C PHE A 552 14.195 -9.790 12.917 1.00 7.77 0.241 C +ATOM 3546 O PHE A 552 13.401 -10.559 13.454 1.00 9.10 -0.271 OA +ATOM 3547 CB PHE A 552 14.520 -10.184 10.474 1.00 7.83 0.073 C +ATOM 3548 CG PHE A 552 13.940 -10.193 9.066 1.00 6.07 -0.056 A +ATOM 3549 CD1 PHE A 552 13.104 -9.159 8.586 1.00 9.90 0.007 A +ATOM 3550 CD2 PHE A 552 14.263 -11.267 8.210 1.00 9.00 0.007 A +ATOM 3551 CE1 PHE A 552 12.584 -9.212 7.280 1.00 8.09 0.001 A +ATOM 3552 CE2 PHE A 552 13.741 -11.326 6.905 1.00 7.31 0.001 A +ATOM 3553 CZ PHE A 552 12.896 -10.299 6.443 1.00 7.99 0.000 A +ATOM 3554 H PHE A 552 15.123 -7.720 10.688 1.00 6.44 0.163 HD +ATOM 3555 N LEU A 553 15.299 -9.343 13.543 1.00 7.58 -0.346 N +ATOM 3556 CA LEU A 553 15.606 -9.594 14.952 1.00 8.97 0.177 C +ATOM 3557 C LEU A 553 14.518 -8.978 15.843 1.00 8.73 0.241 C +ATOM 3558 O LEU A 553 13.965 -9.694 16.673 1.00 8.53 -0.271 OA +ATOM 3559 CB LEU A 553 17.010 -9.039 15.266 1.00 9.50 0.038 C +ATOM 3560 CG LEU A 553 17.632 -9.356 16.646 1.00 13.68 -0.020 C +ATOM 3561 CD1 LEU A 553 19.129 -9.032 16.575 1.00 14.63 0.009 C +ATOM 3562 CD2 LEU A 553 17.008 -8.598 17.830 1.00 19.27 0.009 C +ATOM 3563 H LEU A 553 15.910 -8.712 13.043 1.00 7.58 0.163 HD +ATOM 3564 N GLU A 554 14.174 -7.693 15.628 1.00 8.77 -0.346 N +ATOM 3565 CA GLU A 554 13.117 -6.971 16.338 1.00 7.75 0.177 C +ATOM 3566 C GLU A 554 11.721 -7.608 16.176 1.00 7.17 0.241 C +ATOM 3567 O GLU A 554 10.993 -7.725 17.161 1.00 9.40 -0.271 OA +ATOM 3568 CB GLU A 554 13.124 -5.483 15.918 1.00 8.35 0.045 C +ATOM 3569 CG GLU A 554 12.001 -4.636 16.553 1.00 8.77 0.116 C +ATOM 3570 CD GLU A 554 12.202 -3.149 16.299 1.00 11.10 0.172 C +ATOM 3571 OE1 GLU A 554 11.643 -2.649 15.303 1.00 11.24 -0.648 OA +ATOM 3572 OE2 GLU A 554 12.921 -2.523 17.104 1.00 11.78 -0.648 OA +ATOM 3573 H GLU A 554 14.668 -7.187 14.906 1.00 8.77 0.163 HD +ATOM 3574 N ASP A 555 11.368 -8.055 14.958 1.00 7.39 -0.346 N +ATOM 3575 CA ASP A 555 10.083 -8.686 14.642 1.00 9.03 0.186 C +ATOM 3576 C ASP A 555 9.969 -10.152 15.094 1.00 10.79 0.241 C +ATOM 3577 O ASP A 555 8.883 -10.713 14.983 1.00 12.43 -0.271 OA +ATOM 3578 CB ASP A 555 9.808 -8.607 13.112 1.00 9.41 0.147 C +ATOM 3579 CG ASP A 555 8.452 -7.996 12.734 1.00 10.83 0.175 C +ATOM 3580 OD1 ASP A 555 7.583 -7.845 13.622 1.00 9.35 -0.648 OA +ATOM 3581 OD2 ASP A 555 8.291 -7.680 11.536 1.00 12.98 -0.648 OA +ATOM 3582 H ASP A 555 12.011 -7.903 14.190 1.00 7.39 0.163 HD +ATOM 3583 N SER A 556 11.038 -10.749 15.641 1.00 10.39 -0.344 N +ATOM 3584 CA SER A 556 11.038 -12.061 16.295 1.00 11.91 0.200 C +ATOM 3585 C SER A 556 11.456 -11.973 17.772 1.00 12.72 0.243 C +ATOM 3586 O SER A 556 11.567 -13.008 18.427 1.00 13.31 -0.271 OA +ATOM 3587 CB SER A 556 11.880 -13.066 15.484 1.00 12.83 0.199 C +ATOM 3588 OG SER A 556 13.241 -12.694 15.432 1.00 15.04 -0.398 OA +ATOM 3589 H SER A 556 11.901 -10.224 15.678 1.00 10.39 0.163 HD +ATOM 3590 HG SER A 556 13.329 -11.958 14.842 1.00 15.04 0.209 HD +ATOM 3591 N SER A 557 11.664 -10.756 18.305 1.00 11.81 -0.344 N +ATOM 3592 CA SER A 557 11.950 -10.491 19.714 1.00 10.95 0.200 C +ATOM 3593 C SER A 557 10.644 -10.170 20.468 1.00 11.10 0.245 C +ATOM 3594 O SER A 557 9.633 -9.867 19.831 1.00 10.80 -0.271 OA +ATOM 3595 CB SER A 557 12.922 -9.284 19.809 1.00 11.54 0.199 C +ATOM 3596 OG SER A 557 12.315 -8.018 19.642 1.00 11.57 -0.398 OA +ATOM 3597 H SER A 557 11.532 -9.952 17.708 1.00 11.81 0.163 HD +ATOM 3598 HG SER A 557 11.914 -7.979 18.783 1.00 11.57 0.209 HD +ATOM 3599 N PRO A 558 10.658 -10.181 21.820 1.00 10.77 -0.337 N +ATOM 3600 CA PRO A 558 9.576 -9.676 22.688 1.00 10.66 0.179 C +ATOM 3601 C PRO A 558 9.069 -8.244 22.404 1.00 10.72 0.241 C +ATOM 3602 O PRO A 558 7.962 -7.904 22.820 1.00 11.85 -0.271 OA +ATOM 3603 CB PRO A 558 10.189 -9.712 24.092 1.00 11.31 0.037 C +ATOM 3604 CG PRO A 558 11.178 -10.856 24.039 1.00 11.54 0.022 C +ATOM 3605 CD PRO A 558 11.720 -10.797 22.622 1.00 11.26 0.127 C +ATOM 3606 N LEU A 559 9.860 -7.415 21.701 1.00 9.38 -0.346 N +ATOM 3607 CA LEU A 559 9.513 -6.051 21.305 1.00 10.51 0.177 C +ATOM 3608 C LEU A 559 8.762 -5.998 19.962 1.00 10.60 0.241 C +ATOM 3609 O LEU A 559 8.451 -4.891 19.526 1.00 11.31 -0.271 OA +ATOM 3610 CB LEU A 559 10.811 -5.223 21.151 1.00 10.79 0.038 C +ATOM 3611 CG LEU A 559 11.602 -5.018 22.457 1.00 11.84 -0.020 C +ATOM 3612 CD1 LEU A 559 13.002 -4.476 22.148 1.00 14.38 0.009 C +ATOM 3613 CD2 LEU A 559 10.870 -4.078 23.427 1.00 14.88 0.009 C +ATOM 3614 H LEU A 559 10.754 -7.763 21.385 1.00 9.38 0.163 HD +ATOM 3615 N SER A 560 8.448 -7.143 19.320 1.00 10.50 -0.344 N +ATOM 3616 CA SER A 560 7.708 -7.250 18.058 1.00 10.77 0.200 C +ATOM 3617 C SER A 560 6.381 -6.472 18.075 1.00 10.35 0.243 C +ATOM 3618 O SER A 560 5.604 -6.555 19.024 1.00 12.34 -0.271 OA +ATOM 3619 CB SER A 560 7.508 -8.730 17.667 1.00 11.36 0.199 C +ATOM 3620 OG SER A 560 6.788 -8.873 16.452 1.00 10.52 -0.398 OA +ATOM 3621 H SER A 560 8.743 -8.013 19.745 1.00 10.50 0.163 HD +ATOM 3622 HG SER A 560 7.287 -8.487 15.744 1.00 10.52 0.209 HD +ATOM 3623 N HIS A 561 6.153 -5.693 17.019 1.00 9.34 -0.346 N +ATOM 3624 CA HIS A 561 4.999 -4.829 16.822 1.00 9.98 0.182 C +ATOM 3625 C HIS A 561 4.726 -4.720 15.321 1.00 10.05 0.243 C +ATOM 3626 O HIS A 561 5.637 -4.937 14.525 1.00 10.37 -0.271 OA +ATOM 3627 CB HIS A 561 5.208 -3.462 17.519 1.00 8.95 0.093 C +ATOM 3628 CG HIS A 561 6.454 -2.707 17.122 1.00 10.39 0.030 A +ATOM 3629 CD2 HIS A 561 6.656 -1.641 16.274 1.00 10.57 0.143 A +ATOM 3630 ND1 HIS A 561 7.709 -3.040 17.594 1.00 10.29 -0.353 N +ATOM 3631 CE1 HIS A 561 8.583 -2.198 17.048 1.00 10.73 0.207 A +ATOM 3632 NE2 HIS A 561 8.009 -1.314 16.248 1.00 10.29 -0.254 NA +ATOM 3633 H HIS A 561 6.854 -5.668 16.287 1.00 9.34 0.163 HD +ATOM 3634 HD1 HIS A 561 7.931 -3.790 18.242 1.00 10.29 0.166 HD +ATOM 3635 N PRO A 562 3.499 -4.360 14.899 1.00 11.41 -0.337 N +ATOM 3636 CA PRO A 562 3.235 -4.006 13.503 1.00 11.65 0.179 C +ATOM 3637 C PRO A 562 3.755 -2.583 13.211 1.00 11.92 0.241 C +ATOM 3638 O PRO A 562 4.027 -1.830 14.146 1.00 12.12 -0.271 OA +ATOM 3639 CB PRO A 562 1.716 -4.103 13.389 1.00 13.30 0.037 C +ATOM 3640 CG PRO A 562 1.198 -3.764 14.776 1.00 13.78 0.022 C +ATOM 3641 CD PRO A 562 2.290 -4.262 15.719 1.00 11.29 0.127 C +ATOM 3642 N ILE A 563 3.901 -2.206 11.927 1.00 10.98 -0.346 N +ATOM 3643 CA ILE A 563 4.391 -0.879 11.511 1.00 9.73 0.180 C +ATOM 3644 C ILE A 563 3.466 0.280 11.938 1.00 10.58 0.241 C +ATOM 3645 O ILE A 563 3.936 1.407 12.038 1.00 10.77 -0.271 OA +ATOM 3646 CB ILE A 563 4.688 -0.834 9.989 1.00 10.32 0.013 C +ATOM 3647 CG1 ILE A 563 3.427 -0.963 9.119 1.00 9.89 0.002 C +ATOM 3648 CG2 ILE A 563 5.732 -1.893 9.596 1.00 9.68 0.012 C +ATOM 3649 CD1 ILE A 563 3.630 -0.611 7.643 1.00 10.40 0.005 C +ATOM 3650 H ILE A 563 3.672 -2.870 11.197 1.00 10.98 0.163 HD +ATOM 3651 N ARG A 564 2.195 -0.005 12.266 1.00 10.25 -0.346 N +ATOM 3652 CA ARG A 564 1.300 0.869 13.013 1.00 12.16 0.176 C +ATOM 3653 C ARG A 564 0.894 0.133 14.299 1.00 12.62 0.243 C +ATOM 3654 O ARG A 564 -0.096 -0.598 14.273 1.00 12.79 -0.271 OA +ATOM 3655 CB ARG A 564 0.118 1.300 12.117 1.00 11.82 0.036 C +ATOM 3656 CG ARG A 564 -1.050 1.965 12.873 1.00 13.91 0.023 C +ATOM 3657 CD ARG A 564 -1.937 2.808 11.959 1.00 18.46 0.138 C +ATOM 3658 NE ARG A 564 -2.894 1.936 11.280 1.00 18.89 -0.227 N +ATOM 3659 CZ ARG A 564 -3.994 2.309 10.621 1.00 21.24 0.665 C +ATOM 3660 NH1 ARG A 564 -4.324 3.598 10.485 1.00 20.33 -0.235 N +ATOM 3661 NH2 ARG A 564 -4.769 1.358 10.093 1.00 19.11 -0.235 N +ATOM 3662 H ARG A 564 1.881 -0.956 12.134 1.00 10.25 0.163 HD +ATOM 3663 HE ARG A 564 -2.694 0.942 11.314 1.00 18.89 0.177 HD +ATOM 3664 HH11 ARG A 564 -3.721 4.328 10.841 1.00 20.33 0.174 HD +ATOM 3665 HH12 ARG A 564 -5.132 3.848 9.915 1.00 20.33 0.174 HD +ATOM 3666 HH21 ARG A 564 -4.518 0.383 10.208 1.00 19.11 0.174 HD +ATOM 3667 HH22 ARG A 564 -5.644 1.605 9.631 1.00 19.11 0.174 HD +ATOM 3668 N PRO A 565 1.647 0.285 15.417 1.00 14.00 -0.337 N +ATOM 3669 CA PRO A 565 1.314 -0.279 16.738 1.00 15.41 0.179 C +ATOM 3670 C PRO A 565 -0.087 0.101 17.238 1.00 16.16 0.241 C +ATOM 3671 O PRO A 565 -0.624 1.148 16.874 1.00 16.67 -0.271 OA +ATOM 3672 CB PRO A 565 2.360 0.293 17.704 1.00 14.40 0.037 C +ATOM 3673 CG PRO A 565 3.551 0.590 16.821 1.00 15.72 0.022 C +ATOM 3674 CD PRO A 565 2.954 0.945 15.463 1.00 15.51 0.127 C +ATOM 3675 N GLU A 566 -0.653 -0.748 18.102 1.00 17.43 -0.346 N +ATOM 3676 CA GLU A 566 -1.944 -0.519 18.743 1.00 18.57 0.177 C +ATOM 3677 C GLU A 566 -1.802 0.235 20.075 1.00 18.97 0.241 C +ATOM 3678 O GLU A 566 -2.813 0.727 20.573 1.00 19.57 -0.271 OA +ATOM 3679 CB GLU A 566 -2.590 -1.893 19.038 1.00 19.43 0.045 C +ATOM 3680 CG GLU A 566 -3.035 -2.658 17.774 1.00 21.16 0.116 C +ATOM 3681 CD GLU A 566 -4.152 -1.981 16.973 1.00 25.27 0.172 C +ATOM 3682 OE1 GLU A 566 -4.809 -1.061 17.506 1.00 27.64 -0.648 OA +ATOM 3683 OE2 GLU A 566 -4.338 -2.387 15.807 1.00 28.60 -0.648 OA +ATOM 3684 H GLU A 566 -0.155 -1.596 18.343 1.00 17.43 0.163 HD +ATOM 3685 N SER A 567 -0.587 0.338 20.649 1.00 19.13 -0.344 N +ATOM 3686 CA SER A 567 -0.329 1.005 21.926 1.00 19.25 0.200 C +ATOM 3687 C SER A 567 1.107 1.544 22.070 1.00 18.50 0.243 C +ATOM 3688 O SER A 567 2.034 1.039 21.435 1.00 17.34 -0.271 OA +ATOM 3689 CB SER A 567 -0.797 0.126 23.108 1.00 19.35 0.199 C +ATOM 3690 OG SER A 567 0.049 -0.989 23.308 1.00 21.01 -0.398 OA +ATOM 3691 H SER A 567 0.204 -0.079 20.181 1.00 19.13 0.163 HD +ATOM 3692 HG SER A 567 0.917 -0.678 23.516 1.00 21.01 0.209 HD +ATOM 3693 N TYR A 568 1.273 2.545 22.953 1.00 18.71 -0.346 N +ATOM 3694 CA TYR A 568 2.546 3.073 23.453 1.00 19.06 0.180 C +ATOM 3695 C TYR A 568 2.384 3.682 24.853 1.00 20.98 0.241 C +ATOM 3696 O TYR A 568 1.294 4.129 25.209 1.00 22.47 -0.271 OA +ATOM 3697 CB TYR A 568 3.220 4.035 22.444 1.00 18.40 0.073 C +ATOM 3698 CG TYR A 568 2.544 5.383 22.218 1.00 19.64 -0.056 A +ATOM 3699 CD1 TYR A 568 1.775 5.611 21.059 1.00 18.70 0.010 A +ATOM 3700 CD2 TYR A 568 2.695 6.424 23.157 1.00 20.72 0.010 A +ATOM 3701 CE1 TYR A 568 1.140 6.853 20.857 1.00 17.39 0.037 A +ATOM 3702 CE2 TYR A 568 2.043 7.656 22.971 1.00 21.42 0.037 A +ATOM 3703 CZ TYR A 568 1.268 7.874 21.818 1.00 21.12 0.065 A +ATOM 3704 OH TYR A 568 0.664 9.081 21.625 1.00 21.76 -0.361 OA +ATOM 3705 H TYR A 568 0.443 2.915 23.398 1.00 18.71 0.163 HD +ATOM 3706 HH TYR A 568 0.985 9.749 22.216 1.00 21.76 0.217 HD +ATOM 3707 N VAL A 569 3.496 3.777 25.602 1.00 21.69 -0.346 N +ATOM 3708 CA VAL A 569 3.631 4.620 26.796 1.00 23.94 0.180 C +ATOM 3709 C VAL A 569 4.608 5.761 26.459 1.00 24.25 0.241 C +ATOM 3710 O VAL A 569 4.272 6.929 26.654 1.00 25.31 -0.271 OA +ATOM 3711 CB VAL A 569 4.149 3.791 28.002 1.00 25.16 0.009 C +ATOM 3712 CG1 VAL A 569 4.304 4.616 29.295 1.00 26.60 0.012 C +ATOM 3713 CG2 VAL A 569 3.270 2.558 28.282 1.00 25.33 0.012 C +ATOM 3714 H VAL A 569 4.346 3.352 25.255 1.00 21.69 0.163 HD +ATOM 3715 N SER A 570 5.801 5.421 25.941 1.00 24.78 -0.344 N +ATOM 3716 CA SER A 570 6.841 6.357 25.529 1.00 25.85 0.200 C +ATOM 3717 C SER A 570 6.828 6.472 23.999 1.00 24.66 0.243 C +ATOM 3718 O SER A 570 6.983 5.468 23.300 1.00 22.28 -0.271 OA +ATOM 3719 CB SER A 570 8.202 5.788 25.988 1.00 26.42 0.199 C +ATOM 3720 OG SER A 570 9.277 6.630 25.614 1.00 30.66 -0.398 OA +ATOM 3721 H SER A 570 5.997 4.437 25.799 1.00 24.78 0.163 HD +ATOM 3722 HG SER A 570 10.090 6.194 25.826 1.00 30.66 0.209 HD +ATOM 3723 N MET A 571 6.702 7.709 23.487 1.00 26.05 -0.346 N +ATOM 3724 CA MET A 571 6.838 8.005 22.061 1.00 26.93 0.177 C +ATOM 3725 C MET A 571 8.302 8.038 21.603 1.00 27.02 0.241 C +ATOM 3726 O MET A 571 8.565 7.823 20.423 1.00 27.66 -0.271 OA +ATOM 3727 CB MET A 571 6.211 9.378 21.728 1.00 27.08 0.045 C +ATOM 3728 CG MET A 571 4.747 9.290 21.289 1.00 28.48 0.076 C +ATOM 3729 SD MET A 571 4.402 8.126 19.937 1.00 27.87 -0.173 SA +ATOM 3730 CE MET A 571 5.496 8.757 18.637 1.00 25.80 0.089 C +ATOM 3731 H MET A 571 6.557 8.487 24.115 1.00 26.05 0.163 HD +ATOM 3732 N GLU A 572 9.255 8.256 22.521 1.00 28.85 -0.346 N +ATOM 3733 CA GLU A 572 10.694 8.280 22.252 1.00 30.03 0.177 C +ATOM 3734 C GLU A 572 11.274 6.875 21.977 1.00 28.78 0.241 C +ATOM 3735 O GLU A 572 12.432 6.776 21.574 1.00 30.00 -0.271 OA +ATOM 3736 CB GLU A 572 11.391 8.904 23.478 1.00 31.24 0.045 C +ATOM 3737 CG GLU A 572 11.085 10.406 23.631 1.00 33.30 0.116 C +ATOM 3738 CD GLU A 572 11.698 11.075 24.865 1.00 34.93 0.172 C +ATOM 3739 OE1 GLU A 572 12.130 10.353 25.790 1.00 38.73 -0.648 OA +ATOM 3740 OE2 GLU A 572 11.695 12.325 24.878 1.00 39.48 -0.648 OA +ATOM 3741 H GLU A 572 8.967 8.390 23.480 1.00 28.85 0.163 HD +ATOM 3742 N ASN A 573 10.470 5.809 22.148 1.00 26.75 -0.346 N +ATOM 3743 CA ASN A 573 10.786 4.413 21.821 1.00 23.57 0.185 C +ATOM 3744 C ASN A 573 10.021 3.907 20.588 1.00 21.84 0.241 C +ATOM 3745 O ASN A 573 10.193 2.748 20.209 1.00 21.07 -0.271 OA +ATOM 3746 CB ASN A 573 10.418 3.511 23.022 1.00 24.42 0.137 C +ATOM 3747 CG ASN A 573 11.271 3.804 24.251 1.00 24.86 0.217 C +ATOM 3748 ND2 ASN A 573 10.784 3.436 25.432 1.00 23.91 -0.370 N +ATOM 3749 OD1 ASN A 573 12.351 4.373 24.132 1.00 27.81 -0.274 OA +ATOM 3750 H ASN A 573 9.540 5.986 22.501 1.00 26.75 0.163 HD +ATOM 3751 1HD2 ASN A 573 9.893 2.949 25.493 1.00 23.91 0.159 HD +ATOM 3752 2HD2 ASN A 573 11.325 3.591 26.274 1.00 23.91 0.159 HD +ATOM 3753 N PHE A 574 9.185 4.756 19.970 1.00 19.94 -0.346 N +ATOM 3754 CA PHE A 574 8.257 4.394 18.901 1.00 18.19 0.180 C +ATOM 3755 C PHE A 574 8.884 4.515 17.495 1.00 15.05 0.241 C +ATOM 3756 O PHE A 574 8.301 4.019 16.532 1.00 14.47 -0.271 OA +ATOM 3757 CB PHE A 574 7.064 5.368 19.005 1.00 19.88 0.073 C +ATOM 3758 CG PHE A 574 5.748 4.850 18.463 1.00 19.98 -0.056 A +ATOM 3759 CD1 PHE A 574 4.965 3.982 19.247 1.00 21.17 0.007 A +ATOM 3760 CD2 PHE A 574 5.284 5.248 17.195 1.00 22.34 0.007 A +ATOM 3761 CE1 PHE A 574 3.721 3.529 18.771 1.00 24.94 0.001 A +ATOM 3762 CE2 PHE A 574 4.058 4.766 16.702 1.00 23.80 0.001 A +ATOM 3763 CZ PHE A 574 3.265 3.925 17.501 1.00 22.92 0.000 A +ATOM 3764 H PHE A 574 9.125 5.702 20.321 1.00 19.94 0.163 HD +ATOM 3765 N TYR A 575 10.063 5.149 17.374 1.00 12.58 -0.346 N +ATOM 3766 CA TYR A 575 10.782 5.406 16.125 1.00 10.97 0.180 C +ATOM 3767 C TYR A 575 11.789 4.268 15.911 1.00 9.98 0.241 C +ATOM 3768 O TYR A 575 12.995 4.421 16.111 1.00 11.03 -0.271 OA +ATOM 3769 CB TYR A 575 11.515 6.762 16.247 1.00 11.28 0.073 C +ATOM 3770 CG TYR A 575 10.570 7.945 16.325 1.00 11.88 -0.056 A +ATOM 3771 CD1 TYR A 575 10.327 8.739 15.188 1.00 11.83 0.010 A +ATOM 3772 CD2 TYR A 575 9.920 8.250 17.536 1.00 11.48 0.010 A +ATOM 3773 CE1 TYR A 575 9.400 9.792 15.244 1.00 9.91 0.037 A +ATOM 3774 CE2 TYR A 575 8.980 9.293 17.589 1.00 12.71 0.037 A +ATOM 3775 CZ TYR A 575 8.692 10.041 16.434 1.00 9.18 0.065 A +ATOM 3776 OH TYR A 575 7.718 10.990 16.473 1.00 10.29 -0.361 OA +ATOM 3777 H TYR A 575 10.497 5.493 18.219 1.00 12.58 0.163 HD +ATOM 3778 HH TYR A 575 7.701 11.525 15.686 1.00 10.29 0.217 HD +ATOM 3779 N THR A 576 11.248 3.101 15.549 1.00 9.40 -0.344 N +ATOM 3780 CA THR A 576 11.946 1.826 15.444 1.00 8.76 0.205 C +ATOM 3781 C THR A 576 12.265 1.485 13.982 1.00 9.19 0.243 C +ATOM 3782 O THR A 576 11.679 2.048 13.058 1.00 9.02 -0.271 OA +ATOM 3783 CB THR A 576 11.005 0.739 16.017 1.00 8.88 0.146 C +ATOM 3784 CG2 THR A 576 10.664 0.941 17.498 1.00 8.97 0.042 C +ATOM 3785 OG1 THR A 576 9.813 0.655 15.257 1.00 9.04 -0.393 OA +ATOM 3786 H THR A 576 10.247 3.067 15.414 1.00 9.40 0.163 HD +ATOM 3787 HG1 THR A 576 9.238 0.017 15.662 1.00 9.04 0.210 HD +ATOM 3788 N THR A 577 13.152 0.496 13.789 1.00 8.81 -0.344 N +ATOM 3789 CA THR A 577 13.466 -0.125 12.501 1.00 8.34 0.205 C +ATOM 3790 C THR A 577 12.246 -0.800 11.829 1.00 7.89 0.243 C +ATOM 3791 O THR A 577 12.225 -0.916 10.609 1.00 8.22 -0.271 OA +ATOM 3792 CB THR A 577 14.665 -1.094 12.685 1.00 10.02 0.146 C +ATOM 3793 CG2 THR A 577 14.385 -2.260 13.645 1.00 9.99 0.042 C +ATOM 3794 OG1 THR A 577 15.066 -1.653 11.451 1.00 12.63 -0.393 OA +ATOM 3795 H THR A 577 13.589 0.093 14.607 1.00 8.81 0.163 HD +ATOM 3796 HG1 THR A 577 15.207 -0.948 10.827 1.00 12.63 0.210 HD +ATOM 3797 N THR A 578 11.210 -1.207 12.583 1.00 6.65 -0.344 N +ATOM 3798 CA THR A 578 9.967 -1.751 12.031 1.00 7.15 0.205 C +ATOM 3799 C THR A 578 9.134 -0.627 11.395 1.00 6.88 0.243 C +ATOM 3800 O THR A 578 8.791 -0.728 10.221 1.00 6.29 -0.271 OA +ATOM 3801 CB THR A 578 9.182 -2.456 13.156 1.00 8.48 0.146 C +ATOM 3802 CG2 THR A 578 7.757 -2.895 12.794 1.00 9.30 0.042 C +ATOM 3803 OG1 THR A 578 9.878 -3.632 13.503 1.00 7.45 -0.393 OA +ATOM 3804 H THR A 578 11.276 -1.116 13.588 1.00 6.65 0.163 HD +ATOM 3805 HG1 THR A 578 10.640 -3.373 14.014 1.00 7.45 0.210 HD +ATOM 3806 N VAL A 579 8.847 0.457 12.136 1.00 6.58 -0.346 N +ATOM 3807 CA VAL A 579 8.095 1.628 11.665 1.00 8.39 0.180 C +ATOM 3808 C VAL A 579 8.763 2.323 10.457 1.00 8.14 0.241 C +ATOM 3809 O VAL A 579 8.065 2.847 9.588 1.00 9.92 -0.271 OA +ATOM 3810 CB VAL A 579 7.884 2.598 12.863 1.00 8.41 0.009 C +ATOM 3811 CG1 VAL A 579 7.326 3.977 12.465 1.00 10.20 0.012 C +ATOM 3812 CG2 VAL A 579 6.963 1.972 13.928 1.00 7.34 0.012 C +ATOM 3813 H VAL A 579 9.184 0.485 13.090 1.00 6.58 0.163 HD +ATOM 3814 N TYR A 580 10.102 2.305 10.403 1.00 7.56 -0.346 N +ATOM 3815 CA TYR A 580 10.911 2.944 9.374 1.00 7.60 0.180 C +ATOM 3816 C TYR A 580 11.188 1.998 8.205 1.00 8.90 0.241 C +ATOM 3817 O TYR A 580 10.796 2.307 7.084 1.00 9.00 -0.271 OA +ATOM 3818 CB TYR A 580 12.264 3.337 9.989 1.00 9.04 0.073 C +ATOM 3819 CG TYR A 580 12.251 4.699 10.638 1.00 8.44 -0.056 A +ATOM 3820 CD1 TYR A 580 13.076 5.705 10.106 1.00 8.44 0.010 A +ATOM 3821 CD2 TYR A 580 11.438 4.972 11.758 1.00 10.44 0.010 A +ATOM 3822 CE1 TYR A 580 13.126 6.960 10.719 1.00 7.94 0.037 A +ATOM 3823 CE2 TYR A 580 11.473 6.241 12.360 1.00 10.46 0.037 A +ATOM 3824 CZ TYR A 580 12.330 7.231 11.847 1.00 11.11 0.065 A +ATOM 3825 OH TYR A 580 12.405 8.448 12.447 1.00 13.76 -0.361 OA +ATOM 3826 H TYR A 580 10.597 1.855 11.162 1.00 7.56 0.163 HD +ATOM 3827 HH TYR A 580 12.961 9.041 11.961 1.00 13.76 0.217 HD +ATOM 3828 N ASP A 581 11.907 0.891 8.447 1.00 7.04 -0.345 N +ATOM 3829 CA ASP A 581 12.485 0.058 7.395 1.00 8.18 0.186 C +ATOM 3830 C ASP A 581 11.494 -0.994 6.896 1.00 7.41 0.241 C +ATOM 3831 O ASP A 581 11.366 -1.095 5.682 1.00 7.79 -0.271 OA +ATOM 3832 CB ASP A 581 13.802 -0.609 7.851 1.00 9.11 0.147 C +ATOM 3833 CG ASP A 581 14.829 0.420 8.326 1.00 11.79 0.175 C +ATOM 3834 OD1 ASP A 581 15.241 1.243 7.479 1.00 15.88 -0.648 OA +ATOM 3835 OD2 ASP A 581 15.174 0.389 9.527 1.00 13.59 -0.648 OA +ATOM 3836 H ASP A 581 12.174 0.675 9.398 1.00 7.04 0.163 HD +ATOM 3837 N LYS A 582 10.724 -1.705 7.749 1.00 6.31 -0.346 N +ATOM 3838 CA LYS A 582 9.598 -2.520 7.251 1.00 6.76 0.176 C +ATOM 3839 C LYS A 582 8.472 -1.619 6.721 1.00 7.22 0.240 C +ATOM 3840 O LYS A 582 7.822 -1.988 5.747 1.00 8.35 -0.271 OA +ATOM 3841 CB LYS A 582 9.047 -3.494 8.315 1.00 6.88 0.035 C +ATOM 3842 CG LYS A 582 7.839 -4.324 7.826 1.00 7.95 0.004 C +ATOM 3843 CD LYS A 582 7.299 -5.320 8.850 1.00 7.15 0.027 C +ATOM 3844 CE LYS A 582 5.974 -5.933 8.373 1.00 7.86 0.229 C +ATOM 3845 NZ LYS A 582 5.562 -7.063 9.219 1.00 9.25 -0.079 N +ATOM 3846 H LYS A 582 10.840 -1.585 8.746 1.00 6.31 0.163 HD +ATOM 3847 HZ1 LYS A 582 5.529 -6.769 10.187 1.00 9.25 0.274 HD +ATOM 3848 HZ2 LYS A 582 4.650 -7.391 8.925 1.00 9.25 0.274 HD +ATOM 3849 HZ3 LYS A 582 6.231 -7.816 9.120 1.00 9.25 0.274 HD +ATOM 3850 N GLY A 583 8.291 -0.423 7.305 1.00 8.09 -0.351 N +ATOM 3851 CA GLY A 583 7.379 0.604 6.824 1.00 7.36 0.233 C +ATOM 3852 C GLY A 583 7.693 1.056 5.397 1.00 7.71 0.335 C +ATOM 3853 O GLY A 583 6.772 1.228 4.606 1.00 8.37 -0.264 OA +ATOM 3854 H GLY A 583 8.853 -0.203 8.116 1.00 8.09 0.163 HD +ATOM 3855 N SER A 584 8.986 1.177 5.049 1.00 7.68 0.021 N +ATOM 3856 CA ASER A 584 9.450 1.520 3.709 0.50 6.75 0.305 C +ATOM 3857 CA BSER A 584 9.572 1.486 3.861 0.50 7.61 0.305 C +ATOM 3858 C SER A 584 9.363 0.357 2.719 1.00 7.15 0.208 C +ATOM 3859 O SER A 584 9.164 0.622 1.539 1.00 6.50 -0.279 OA +ATOM 3860 CB ASER A 584 10.887 2.060 3.783 0.50 6.33 0.207 C +ATOM 3861 CB BSER A 584 11.065 1.803 3.920 0.50 7.36 0.207 C +ATOM 3862 OG ASER A 584 11.879 1.071 3.939 0.50 3.25 -0.398 OA +ATOM 3863 OG BSER A 584 11.525 2.264 2.661 0.50 11.33 -0.398 OA +ATOM 3864 H SER A 584 9.689 1.036 5.761 1.00 7.68 0.292 HD +ATOM 3865 HG ASER A 584 11.675 0.542 4.697 0.50 3.25 0.209 HD +ATOM 3866 HG BSER A 584 12.464 2.459 2.714 0.50 0.00 0.209 HD +ATOM 3867 N GLU A 585 9.449 -0.905 3.175 1.00 7.03 -0.351 N +ATOM 3868 CA GLU A 585 9.238 -2.077 2.327 1.00 8.06 0.176 C +ATOM 3869 C GLU A 585 7.743 -2.275 2.031 1.00 7.83 0.241 C +ATOM 3870 O GLU A 585 7.407 -2.681 0.921 1.00 8.44 -0.271 OA +ATOM 3871 CB GLU A 585 9.786 -3.344 3.015 1.00 8.76 0.045 C +ATOM 3872 CG GLU A 585 11.314 -3.378 3.223 1.00 10.13 0.116 C +ATOM 3873 CD GLU A 585 12.134 -3.180 1.954 1.00 15.41 0.172 C +ATOM 3874 OE1 GLU A 585 12.436 -4.203 1.309 1.00 16.39 -0.648 OA +ATOM 3875 OE2 GLU A 585 12.454 -2.018 1.634 1.00 13.95 -0.648 OA +ATOM 3876 H GLU A 585 9.634 -1.059 4.157 1.00 7.03 0.163 HD +ATOM 3877 N VAL A 586 6.847 -1.930 2.973 1.00 7.77 -0.346 N +ATOM 3878 CA VAL A 586 5.396 -1.877 2.773 1.00 8.86 0.180 C +ATOM 3879 C VAL A 586 4.992 -0.695 1.871 1.00 9.21 0.241 C +ATOM 3880 O VAL A 586 4.008 -0.807 1.143 1.00 8.62 -0.271 OA +ATOM 3881 CB VAL A 586 4.679 -1.857 4.153 1.00 9.26 0.009 C +ATOM 3882 CG1 VAL A 586 3.168 -1.550 4.069 1.00 9.98 0.012 C +ATOM 3883 CG2 VAL A 586 4.871 -3.206 4.876 1.00 9.05 0.012 C +ATOM 3884 H VAL A 586 7.198 -1.630 3.874 1.00 7.77 0.163 HD +ATOM 3885 N MET A 587 5.757 0.406 1.857 1.00 9.01 -0.346 N +ATOM 3886 CA MET A 587 5.515 1.528 0.954 1.00 9.29 0.177 C +ATOM 3887 C MET A 587 6.112 1.269 -0.446 1.00 9.11 0.241 C +ATOM 3888 O MET A 587 5.526 1.689 -1.442 1.00 9.99 -0.271 OA +ATOM 3889 CB MET A 587 6.082 2.811 1.590 1.00 9.66 0.045 C +ATOM 3890 CG MET A 587 5.203 3.291 2.762 1.00 9.98 0.076 C +ATOM 3891 SD MET A 587 3.579 3.958 2.320 1.00 13.17 -0.173 SA +ATOM 3892 CE MET A 587 2.951 4.327 3.977 1.00 15.10 0.089 C +ATOM 3893 H MET A 587 6.545 0.461 2.487 1.00 9.01 0.163 HD +ATOM 3894 N ARG A 588 7.219 0.515 -0.541 1.00 8.08 -0.346 N +ATOM 3895 CA ARG A 588 7.861 0.096 -1.789 1.00 8.80 0.176 C +ATOM 3896 C ARG A 588 7.088 -1.030 -2.499 1.00 8.12 0.241 C +ATOM 3897 O ARG A 588 7.169 -1.133 -3.723 1.00 8.89 -0.271 OA +ATOM 3898 CB ARG A 588 9.298 -0.363 -1.453 1.00 7.93 0.036 C +ATOM 3899 CG ARG A 588 10.159 -0.816 -2.646 1.00 8.90 0.023 C +ATOM 3900 CD ARG A 588 11.527 -1.362 -2.217 1.00 8.93 0.138 C +ATOM 3901 NE ARG A 588 12.342 -1.692 -3.391 1.00 9.96 -0.227 N +ATOM 3902 CZ ARG A 588 12.268 -2.824 -4.108 1.00 10.29 0.665 C +ATOM 3903 NH1 ARG A 588 11.412 -3.801 -3.785 1.00 12.17 -0.235 N +ATOM 3904 NH2 ARG A 588 13.054 -2.981 -5.178 1.00 12.33 -0.235 N +ATOM 3905 H ARG A 588 7.669 0.227 0.317 1.00 8.08 0.163 HD +ATOM 3906 HE ARG A 588 12.975 -0.961 -3.699 1.00 9.96 0.177 HD +ATOM 3907 HH11 ARG A 588 10.807 -3.707 -2.981 1.00 12.17 0.174 HD +ATOM 3908 HH12 ARG A 588 11.330 -4.617 -4.381 1.00 12.17 0.174 HD +ATOM 3909 HH21 ARG A 588 13.734 -2.271 -5.436 1.00 12.33 0.174 HD +ATOM 3910 HH22 ARG A 588 12.974 -3.817 -5.739 1.00 12.33 0.174 HD +ATOM 3911 N MET A 589 6.314 -1.844 -1.763 1.00 7.97 -0.346 N +ATOM 3912 CA MET A 589 5.482 -2.908 -2.324 1.00 8.09 0.177 C +ATOM 3913 C MET A 589 4.283 -2.372 -3.126 1.00 9.08 0.241 C +ATOM 3914 O MET A 589 3.847 -3.063 -4.043 1.00 11.64 -0.271 OA +ATOM 3915 CB MET A 589 5.006 -3.850 -1.202 1.00 8.97 0.045 C +ATOM 3916 CG MET A 589 5.906 -5.071 -0.999 1.00 7.23 0.076 C +ATOM 3917 SD MET A 589 5.251 -6.324 0.134 1.00 9.64 -0.173 SA +ATOM 3918 CE MET A 589 5.142 -5.371 1.662 1.00 11.67 0.089 C +ATOM 3919 H MET A 589 6.298 -1.718 -0.760 1.00 7.97 0.163 HD +ATOM 3920 N TYR A 590 3.810 -1.134 -2.872 1.00 9.81 -0.346 N +ATOM 3921 CA TYR A 590 2.818 -0.456 -3.717 1.00 11.19 0.180 C +ATOM 3922 C TYR A 590 3.396 -0.126 -5.103 1.00 11.75 0.241 C +ATOM 3923 O TYR A 590 2.698 -0.301 -6.097 1.00 12.79 -0.271 OA +ATOM 3924 CB TYR A 590 2.360 0.871 -3.081 1.00 12.34 0.073 C +ATOM 3925 CG TYR A 590 1.486 0.774 -1.847 1.00 12.34 -0.056 A +ATOM 3926 CD1 TYR A 590 0.179 0.250 -1.923 1.00 12.74 0.010 A +ATOM 3927 CD2 TYR A 590 1.953 1.301 -0.629 1.00 12.73 0.010 A +ATOM 3928 CE1 TYR A 590 -0.663 0.293 -0.794 1.00 13.65 0.037 A +ATOM 3929 CE2 TYR A 590 1.123 1.329 0.505 1.00 12.14 0.037 A +ATOM 3930 CZ TYR A 590 -0.195 0.845 0.415 1.00 11.99 0.065 A +ATOM 3931 OH TYR A 590 -1.016 0.919 1.500 1.00 14.85 -0.361 OA +ATOM 3932 H TYR A 590 4.210 -0.611 -2.107 1.00 9.81 0.163 HD +ATOM 3933 HH TYR A 590 -0.612 1.351 2.238 1.00 14.85 0.217 HD +ATOM 3934 N LEU A 591 4.669 0.308 -5.176 1.00 11.80 -0.346 N +ATOM 3935 CA LEU A 591 5.392 0.577 -6.423 1.00 12.25 0.177 C +ATOM 3936 C LEU A 591 5.668 -0.706 -7.226 1.00 12.67 0.241 C +ATOM 3937 O LEU A 591 5.662 -0.656 -8.454 1.00 13.12 -0.271 OA +ATOM 3938 CB LEU A 591 6.701 1.340 -6.095 1.00 12.52 0.038 C +ATOM 3939 CG LEU A 591 7.695 1.569 -7.261 1.00 13.05 -0.020 C +ATOM 3940 CD1 LEU A 591 7.106 2.392 -8.413 1.00 14.58 0.009 C +ATOM 3941 CD2 LEU A 591 8.975 2.233 -6.749 1.00 11.66 0.009 C +ATOM 3942 H LEU A 591 5.186 0.409 -4.314 1.00 11.80 0.163 HD +ATOM 3943 N THR A 592 5.881 -1.849 -6.558 1.00 12.25 -0.344 N +ATOM 3944 CA THR A 592 6.129 -3.141 -7.202 1.00 12.15 0.205 C +ATOM 3945 C THR A 592 4.819 -3.752 -7.737 1.00 13.11 0.243 C +ATOM 3946 O THR A 592 4.833 -4.330 -8.823 1.00 13.56 -0.271 OA +ATOM 3947 CB THR A 592 6.775 -4.083 -6.163 1.00 11.84 0.146 C +ATOM 3948 CG2 THR A 592 6.998 -5.527 -6.640 1.00 13.04 0.042 C +ATOM 3949 OG1 THR A 592 8.054 -3.569 -5.854 1.00 10.94 -0.393 OA +ATOM 3950 H THR A 592 5.896 -1.821 -5.548 1.00 12.25 0.163 HD +ATOM 3951 HG1 THR A 592 8.326 -3.946 -5.024 1.00 10.94 0.210 HD +ATOM 3952 N ILE A 593 3.699 -3.609 -7.005 1.00 12.03 -0.346 N +ATOM 3953 CA ILE A 593 2.370 -4.082 -7.408 1.00 13.50 0.180 C +ATOM 3954 C ILE A 593 1.820 -3.235 -8.566 1.00 14.46 0.241 C +ATOM 3955 O ILE A 593 1.295 -3.807 -9.518 1.00 16.23 -0.271 OA +ATOM 3956 CB ILE A 593 1.402 -4.068 -6.182 1.00 12.62 0.013 C +ATOM 3957 CG1 ILE A 593 1.786 -5.190 -5.193 1.00 12.66 0.002 C +ATOM 3958 CG2 ILE A 593 -0.095 -4.209 -6.556 1.00 15.28 0.012 C +ATOM 3959 CD1 ILE A 593 1.201 -5.027 -3.783 1.00 13.79 0.005 C +ATOM 3960 H ILE A 593 3.766 -3.140 -6.111 1.00 12.03 0.163 HD +ATOM 3961 N LEU A 594 1.929 -1.898 -8.489 1.00 14.34 -0.346 N +ATOM 3962 CA LEU A 594 1.324 -0.984 -9.456 1.00 15.55 0.177 C +ATOM 3963 C LEU A 594 2.229 -0.706 -10.668 1.00 16.27 0.240 C +ATOM 3964 O LEU A 594 1.717 -0.379 -11.737 1.00 17.84 -0.271 OA +ATOM 3965 CB LEU A 594 1.039 0.373 -8.770 1.00 13.84 0.038 C +ATOM 3966 CG LEU A 594 -0.056 0.321 -7.682 1.00 15.56 -0.020 C +ATOM 3967 CD1 LEU A 594 -0.092 1.629 -6.882 1.00 15.26 0.009 C +ATOM 3968 CD2 LEU A 594 -1.443 0.036 -8.271 1.00 16.51 0.009 C +ATOM 3969 H LEU A 594 2.365 -1.491 -7.671 1.00 14.34 0.163 HD +ATOM 3970 N GLY A 595 3.559 -0.797 -10.516 1.00 15.97 -0.351 N +ATOM 3971 CA GLY A 595 4.536 -0.265 -11.467 1.00 17.33 0.225 C +ATOM 3972 C GLY A 595 4.678 1.259 -11.328 1.00 18.32 0.236 C +ATOM 3973 O GLY A 595 3.879 1.899 -10.645 1.00 17.03 -0.272 OA +ATOM 3974 H GLY A 595 3.916 -1.083 -9.615 1.00 15.97 0.163 HD +ATOM 3975 N GLU A 596 5.703 1.842 -11.967 1.00 19.80 -0.346 N +ATOM 3976 CA GLU A 596 6.074 3.254 -11.849 1.00 21.48 0.177 C +ATOM 3977 C GLU A 596 4.967 4.253 -12.233 1.00 21.54 0.241 C +ATOM 3978 O GLU A 596 4.744 5.206 -11.487 1.00 20.24 -0.271 OA +ATOM 3979 CB GLU A 596 7.384 3.514 -12.623 1.00 22.31 0.045 C +ATOM 3980 CG GLU A 596 7.897 4.961 -12.479 1.00 23.82 0.116 C +ATOM 3981 CD GLU A 596 9.250 5.201 -13.141 1.00 24.97 0.172 C +ATOM 3982 OE1 GLU A 596 10.187 4.433 -12.832 1.00 30.18 -0.648 OA +ATOM 3983 OE2 GLU A 596 9.326 6.175 -13.922 1.00 31.69 -0.648 OA +ATOM 3984 H GLU A 596 6.312 1.255 -12.525 1.00 19.80 0.163 HD +ATOM 3985 N GLU A 597 4.280 4.038 -13.370 1.00 22.63 -0.346 N +ATOM 3986 CA GLU A 597 3.257 4.939 -13.904 1.00 24.54 0.177 C +ATOM 3987 C GLU A 597 2.047 5.064 -12.961 1.00 23.53 0.241 C +ATOM 3988 O GLU A 597 1.738 6.173 -12.534 1.00 22.65 -0.271 OA +ATOM 3989 CB GLU A 597 2.823 4.486 -15.316 1.00 25.47 0.045 C +ATOM 3990 CG GLU A 597 1.995 5.548 -16.078 1.00 28.98 0.116 C +ATOM 3991 CD GLU A 597 1.088 4.988 -17.178 1.00 31.09 0.172 C +ATOM 3992 OE1 GLU A 597 1.300 3.828 -17.594 1.00 36.52 -0.648 OA +ATOM 3993 OE2 GLU A 597 0.184 5.753 -17.585 1.00 36.85 -0.648 OA +ATOM 3994 H GLU A 597 4.517 3.227 -13.926 1.00 22.63 0.163 HD +ATOM 3995 N TYR A 598 1.398 3.942 -12.606 1.00 22.89 -0.346 N +ATOM 3996 CA TYR A 598 0.229 3.917 -11.720 1.00 22.55 0.180 C +ATOM 3997 C TYR A 598 0.576 4.189 -10.249 1.00 20.20 0.241 C +ATOM 3998 O TYR A 598 -0.277 4.714 -9.536 1.00 19.78 -0.271 OA +ATOM 3999 CB TYR A 598 -0.499 2.564 -11.841 1.00 23.93 0.073 C +ATOM 4000 CG TYR A 598 -1.333 2.463 -13.103 1.00 26.30 -0.056 A +ATOM 4001 CD1 TYR A 598 -2.555 3.159 -13.192 1.00 26.85 0.010 A +ATOM 4002 CD2 TYR A 598 -0.879 1.704 -14.200 1.00 28.45 0.010 A +ATOM 4003 CE1 TYR A 598 -3.309 3.109 -14.380 1.00 30.11 0.037 A +ATOM 4004 CE2 TYR A 598 -1.635 1.652 -15.385 1.00 30.74 0.037 A +ATOM 4005 CZ TYR A 598 -2.854 2.350 -15.475 1.00 30.73 0.065 A +ATOM 4006 OH TYR A 598 -3.596 2.279 -16.617 1.00 33.66 -0.361 OA +ATOM 4007 H TYR A 598 1.716 3.062 -12.993 1.00 22.89 0.163 HD +ATOM 4008 HH TYR A 598 -4.411 2.755 -16.561 1.00 33.66 0.217 HD +ATOM 4009 N TYR A 599 1.817 3.927 -9.799 1.00 18.83 -0.346 N +ATOM 4010 CA TYR A 599 2.291 4.343 -8.476 1.00 17.31 0.180 C +ATOM 4011 C TYR A 599 2.396 5.874 -8.375 1.00 18.05 0.241 C +ATOM 4012 O TYR A 599 1.993 6.433 -7.358 1.00 17.16 -0.271 OA +ATOM 4013 CB TYR A 599 3.660 3.708 -8.167 1.00 16.85 0.073 C +ATOM 4014 CG TYR A 599 4.237 4.153 -6.835 1.00 14.61 -0.056 A +ATOM 4015 CD1 TYR A 599 3.696 3.655 -5.634 1.00 13.89 0.010 A +ATOM 4016 CD2 TYR A 599 5.239 5.146 -6.795 1.00 16.26 0.010 A +ATOM 4017 CE1 TYR A 599 4.121 4.180 -4.401 1.00 14.84 0.037 A +ATOM 4018 CE2 TYR A 599 5.660 5.674 -5.562 1.00 16.17 0.037 A +ATOM 4019 CZ TYR A 599 5.078 5.214 -4.367 1.00 14.49 0.065 A +ATOM 4020 OH TYR A 599 5.432 5.787 -3.183 1.00 16.52 -0.361 OA +ATOM 4021 H TYR A 599 2.482 3.482 -10.417 1.00 18.83 0.163 HD +ATOM 4022 HH TYR A 599 5.033 5.359 -2.434 1.00 16.52 0.217 HD +ATOM 4023 N LYS A 600 2.900 6.544 -9.426 1.00 18.36 -0.346 N +ATOM 4024 CA LYS A 600 2.977 8.001 -9.518 1.00 19.36 0.176 C +ATOM 4025 C LYS A 600 1.585 8.654 -9.602 1.00 20.53 0.241 C +ATOM 4026 O LYS A 600 1.415 9.743 -9.057 1.00 21.46 -0.271 OA +ATOM 4027 CB LYS A 600 3.824 8.405 -10.743 1.00 20.06 0.035 C +ATOM 4028 CG LYS A 600 5.340 8.294 -10.502 1.00 20.30 0.004 C +ATOM 4029 CD LYS A 600 6.151 8.574 -11.778 1.00 21.15 0.027 C +ATOM 4030 CE LYS A 600 7.663 8.440 -11.556 1.00 23.27 0.229 C +ATOM 4031 NZ LYS A 600 8.431 8.760 -12.770 1.00 25.52 -0.079 N +ATOM 4032 H LYS A 600 3.225 6.014 -10.224 1.00 18.36 0.163 HD +ATOM 4033 HZ1 LYS A 600 8.186 9.684 -13.105 1.00 25.52 0.274 HD +ATOM 4034 HZ2 LYS A 600 9.418 8.731 -12.558 1.00 25.52 0.274 HD +ATOM 4035 HZ3 LYS A 600 8.243 8.069 -13.485 1.00 25.52 0.274 HD +ATOM 4036 N LYS A 601 0.583 7.983 -10.204 1.00 21.10 -0.346 N +ATOM 4037 CA LYS A 601 -0.814 8.432 -10.204 1.00 23.32 0.176 C +ATOM 4038 C LYS A 601 -1.427 8.314 -8.799 1.00 21.36 0.240 C +ATOM 4039 O LYS A 601 -2.063 9.260 -8.343 1.00 21.72 -0.271 OA +ATOM 4040 CB LYS A 601 -1.680 7.597 -11.174 1.00 24.30 0.035 C +ATOM 4041 CG LYS A 601 -1.327 7.772 -12.657 1.00 26.95 0.004 C +ATOM 4042 CD LYS A 601 -2.301 7.032 -13.592 1.00 28.37 0.027 C +ATOM 4043 CE LYS A 601 -1.665 6.583 -14.916 1.00 35.62 0.229 C +ATOM 4044 NZ LYS A 601 -1.175 7.712 -15.726 1.00 38.85 -0.079 N +ATOM 4045 H LYS A 601 0.791 7.093 -10.635 1.00 21.10 0.163 HD +ATOM 4046 HZ1 LYS A 601 -0.483 8.233 -15.205 1.00 38.85 0.274 HD +ATOM 4047 HZ2 LYS A 601 -0.744 7.336 -16.564 1.00 38.85 0.274 HD +ATOM 4048 HZ3 LYS A 601 -1.942 8.317 -15.982 1.00 38.85 0.274 HD +ATOM 4049 N GLY A 602 -1.203 7.182 -8.108 1.00 19.93 -0.351 N +ATOM 4050 CA GLY A 602 -1.716 6.896 -6.769 1.00 18.01 0.225 C +ATOM 4051 C GLY A 602 -1.084 7.748 -5.666 1.00 16.93 0.236 C +ATOM 4052 O GLY A 602 -1.766 8.109 -4.709 1.00 16.35 -0.272 OA +ATOM 4053 H GLY A 602 -0.660 6.454 -8.554 1.00 19.93 0.163 HD +ATOM 4054 N PHE A 603 0.200 8.109 -5.818 1.00 16.83 -0.346 N +ATOM 4055 CA PHE A 603 0.921 8.995 -4.910 1.00 16.63 0.180 C +ATOM 4056 C PHE A 603 0.481 10.453 -5.117 1.00 18.64 0.241 C +ATOM 4057 O PHE A 603 0.346 11.181 -4.138 1.00 20.05 -0.271 OA +ATOM 4058 CB PHE A 603 2.437 8.864 -5.169 1.00 16.12 0.073 C +ATOM 4059 CG PHE A 603 3.292 9.669 -4.208 1.00 15.51 -0.056 A +ATOM 4060 CD1 PHE A 603 3.642 9.141 -2.947 1.00 17.04 0.007 A +ATOM 4061 CD2 PHE A 603 3.709 10.967 -4.561 1.00 17.26 0.007 A +ATOM 4062 CE1 PHE A 603 4.398 9.916 -2.047 1.00 17.20 0.001 A +ATOM 4063 CE2 PHE A 603 4.480 11.728 -3.668 1.00 18.11 0.001 A +ATOM 4064 CZ PHE A 603 4.821 11.209 -2.407 1.00 17.39 0.000 A +ATOM 4065 H PHE A 603 0.708 7.745 -6.614 1.00 16.83 0.163 HD +ATOM 4066 N ASP A 604 0.224 10.876 -6.367 1.00 19.89 -0.345 N +ATOM 4067 CA ASP A 604 -0.265 12.217 -6.684 1.00 21.36 0.186 C +ATOM 4068 C ASP A 604 -1.728 12.426 -6.235 1.00 21.10 0.241 C +ATOM 4069 O ASP A 604 -2.069 13.532 -5.823 1.00 21.22 -0.271 OA +ATOM 4070 CB ASP A 604 -0.077 12.470 -8.196 1.00 23.11 0.147 C +ATOM 4071 CG ASP A 604 -0.343 13.914 -8.625 1.00 29.16 0.175 C +ATOM 4072 OD1 ASP A 604 0.314 14.808 -8.047 1.00 33.52 -0.648 OA +ATOM 4073 OD2 ASP A 604 -1.188 14.096 -9.529 1.00 35.07 -0.648 OA +ATOM 4074 H ASP A 604 0.354 10.232 -7.134 1.00 19.89 0.163 HD +ATOM 4075 N ILE A 605 -2.557 11.361 -6.231 1.00 20.63 -0.346 N +ATOM 4076 CA ILE A 605 -3.894 11.326 -5.619 1.00 20.52 0.180 C +ATOM 4077 C ILE A 605 -3.806 11.524 -4.093 1.00 19.74 0.241 C +ATOM 4078 O ILE A 605 -4.610 12.278 -3.549 1.00 19.93 -0.271 OA +ATOM 4079 CB ILE A 605 -4.636 10.004 -6.005 1.00 20.80 0.013 C +ATOM 4080 CG1 ILE A 605 -5.060 10.032 -7.493 1.00 21.89 0.002 C +ATOM 4081 CG2 ILE A 605 -5.879 9.697 -5.132 1.00 21.61 0.012 C +ATOM 4082 CD1 ILE A 605 -5.403 8.657 -8.088 1.00 21.56 0.005 C +ATOM 4083 H ILE A 605 -2.205 10.491 -6.605 1.00 20.63 0.163 HD +ATOM 4084 N TYR A 606 -2.828 10.892 -3.415 1.00 18.23 -0.346 N +ATOM 4085 CA TYR A 606 -2.587 11.042 -1.977 1.00 18.22 0.180 C +ATOM 4086 C TYR A 606 -2.169 12.476 -1.612 1.00 18.42 0.241 C +ATOM 4087 O TYR A 606 -2.741 13.047 -0.685 1.00 18.76 -0.271 OA +ATOM 4088 CB TYR A 606 -1.513 10.034 -1.508 1.00 16.58 0.073 C +ATOM 4089 CG TYR A 606 -1.054 10.215 -0.071 1.00 17.42 -0.056 A +ATOM 4090 CD1 TYR A 606 -1.937 9.936 0.993 1.00 16.30 0.010 A +ATOM 4091 CD2 TYR A 606 0.241 10.708 0.201 1.00 17.27 0.010 A +ATOM 4092 CE1 TYR A 606 -1.522 10.132 2.324 1.00 15.06 0.037 A +ATOM 4093 CE2 TYR A 606 0.656 10.903 1.532 1.00 17.33 0.037 A +ATOM 4094 CZ TYR A 606 -0.223 10.606 2.592 1.00 15.41 0.065 A +ATOM 4095 OH TYR A 606 0.184 10.783 3.879 1.00 16.77 -0.361 OA +ATOM 4096 H TYR A 606 -2.207 10.283 -3.930 1.00 18.23 0.163 HD +ATOM 4097 HH TYR A 606 -0.483 10.556 4.509 1.00 16.77 0.217 HD +ATOM 4098 N ILE A 607 -1.195 13.060 -2.334 1.00 19.17 -0.346 N +ATOM 4099 CA ILE A 607 -0.720 14.425 -2.102 1.00 19.31 0.180 C +ATOM 4100 C ILE A 607 -1.840 15.452 -2.339 1.00 21.47 0.241 C +ATOM 4101 O ILE A 607 -2.079 16.264 -1.454 1.00 21.25 -0.271 OA +ATOM 4102 CB ILE A 607 0.556 14.725 -2.942 1.00 19.91 0.013 C +ATOM 4103 CG1 ILE A 607 1.762 13.840 -2.536 1.00 17.95 0.002 C +ATOM 4104 CG2 ILE A 607 0.965 16.216 -2.929 1.00 20.35 0.012 C +ATOM 4105 CD1 ILE A 607 2.239 13.986 -1.082 1.00 16.44 0.005 C +ATOM 4106 H ILE A 607 -0.758 12.530 -3.077 1.00 19.17 0.163 HD +ATOM 4107 N LYS A 608 -2.547 15.392 -3.480 1.00 22.33 -0.346 N +ATOM 4108 CA LYS A 608 -3.593 16.350 -3.853 1.00 25.38 0.176 C +ATOM 4109 C LYS A 608 -4.843 16.306 -2.957 1.00 26.31 0.241 C +ATOM 4110 O LYS A 608 -5.468 17.347 -2.756 1.00 27.47 -0.271 OA +ATOM 4111 CB LYS A 608 -4.004 16.115 -5.322 1.00 25.49 0.035 C +ATOM 4112 CG LYS A 608 -2.977 16.691 -6.310 1.00 28.17 0.004 C +ATOM 4113 CD LYS A 608 -3.286 16.343 -7.772 0.00 15.69 0.027 C +ATOM 4114 CE LYS A 608 -2.371 17.101 -8.745 0.00 15.86 0.229 C +ATOM 4115 NZ LYS A 608 -2.510 16.592 -10.118 0.00 17.01 -0.079 N +ATOM 4116 H LYS A 608 -2.312 14.677 -4.156 1.00 22.33 0.163 HD +ATOM 4117 HZ1 LYS A 608 -2.175 15.633 -10.129 1.00 17.01 0.274 HD +ATOM 4118 HZ2 LYS A 608 -3.477 16.622 -10.408 1.00 17.01 0.274 HD +ATOM 4119 HZ3 LYS A 608 -1.944 17.145 -10.745 1.00 17.01 0.274 HD +ATOM 4120 N LYS A 609 -5.200 15.133 -2.408 1.00 26.15 -0.346 N +ATOM 4121 CA LYS A 609 -6.387 14.955 -1.570 1.00 27.91 0.176 C +ATOM 4122 C LYS A 609 -6.121 15.269 -0.083 1.00 27.14 0.241 C +ATOM 4123 O LYS A 609 -7.083 15.500 0.649 1.00 28.83 -0.271 OA +ATOM 4124 CB LYS A 609 -6.869 13.493 -1.722 1.00 28.29 0.035 C +ATOM 4125 CG LYS A 609 -8.259 13.223 -1.114 1.00 33.60 0.004 C +ATOM 4126 CD LYS A 609 -8.996 12.042 -1.765 1.00 37.64 0.027 C +ATOM 4127 CE LYS A 609 -10.426 11.896 -1.221 1.00 42.55 0.229 C +ATOM 4128 NZ LYS A 609 -11.211 10.916 -1.990 1.00 45.65 -0.079 N +ATOM 4129 H LYS A 609 -4.646 14.312 -2.612 1.00 26.15 0.163 HD +ATOM 4130 HZ1 LYS A 609 -10.786 10.003 -1.918 1.00 45.65 0.274 HD +ATOM 4131 HZ2 LYS A 609 -12.149 10.872 -1.618 1.00 45.65 0.274 HD +ATOM 4132 HZ3 LYS A 609 -11.248 11.194 -2.960 1.00 45.65 0.274 HD +ATOM 4133 N ASN A 610 -4.850 15.304 0.363 1.00 25.39 -0.346 N +ATOM 4134 CA ASN A 610 -4.466 15.440 1.776 1.00 24.72 0.185 C +ATOM 4135 C ASN A 610 -3.498 16.613 2.049 1.00 24.83 0.241 C +ATOM 4136 O ASN A 610 -3.038 16.737 3.184 1.00 24.18 -0.271 OA +ATOM 4137 CB ASN A 610 -3.920 14.095 2.338 1.00 23.81 0.137 C +ATOM 4138 CG ASN A 610 -4.833 12.873 2.155 1.00 24.48 0.217 C +ATOM 4139 ND2 ASN A 610 -5.865 12.742 2.988 1.00 23.16 -0.370 N +ATOM 4140 OD1 ASN A 610 -4.593 12.029 1.295 1.00 27.50 -0.274 OA +ATOM 4141 H ASN A 610 -4.109 15.112 -0.297 1.00 25.39 0.163 HD +ATOM 4142 1HD2 ASN A 610 -6.059 13.454 3.682 1.00 23.16 0.159 HD +ATOM 4143 2HD2 ASN A 610 -6.473 11.940 2.909 1.00 23.16 0.159 HD +ATOM 4144 N ASP A 611 -3.182 17.462 1.046 1.00 25.71 -0.345 N +ATOM 4145 CA ASP A 611 -2.147 18.518 1.064 1.00 26.82 0.186 C +ATOM 4146 C ASP A 611 -2.220 19.513 2.237 1.00 28.55 0.241 C +ATOM 4147 O ASP A 611 -1.190 19.893 2.785 1.00 30.56 -0.271 OA +ATOM 4148 CB ASP A 611 -2.134 19.291 -0.285 1.00 27.42 0.147 C +ATOM 4149 CG ASP A 611 -0.871 20.124 -0.573 1.00 28.09 0.175 C +ATOM 4150 OD1 ASP A 611 0.133 19.999 0.160 1.00 23.61 -0.648 OA +ATOM 4151 OD2 ASP A 611 -0.917 20.886 -1.561 1.00 28.59 -0.648 OA +ATOM 4152 H ASP A 611 -3.611 17.283 0.150 1.00 25.71 0.163 HD +ATOM 4153 N GLY A 612 -3.431 19.952 2.602 1.00 30.36 -0.350 N +ATOM 4154 CA GLY A 612 -3.661 20.967 3.627 1.00 30.86 0.233 C +ATOM 4155 C GLY A 612 -4.019 20.405 5.005 1.00 29.75 0.335 C +ATOM 4156 O GLY A 612 -4.420 21.183 5.869 1.00 30.05 -0.264 OA +ATOM 4157 H GLY A 612 -4.237 19.588 2.116 1.00 30.36 0.163 HD +ATOM 4158 N ASN A 613 -3.933 19.079 5.203 1.00 28.74 0.018 N +ATOM 4159 CA AASN A 613 -4.543 18.380 6.331 0.50 27.97 0.291 C +ATOM 4160 CA BASN A 613 -4.554 18.229 6.239 0.50 28.02 0.291 C +ATOM 4161 C ASN A 613 -3.652 17.246 6.853 1.00 26.49 0.205 C +ATOM 4162 O ASN A 613 -2.648 16.866 6.250 1.00 24.96 -0.279 OA +ATOM 4163 CB AASN A 613 -5.967 17.920 5.906 0.50 28.95 0.145 C +ATOM 4164 CB BASN A 613 -5.895 17.641 5.789 0.50 29.00 0.145 C +ATOM 4165 CG AASN A 613 -7.009 17.827 7.031 0.50 29.43 0.217 C +ATOM 4166 CG BASN A 613 -6.826 18.685 5.217 0.50 30.35 0.217 C +ATOM 4167 ND2AASN A 613 -8.265 17.580 6.658 0.50 31.50 -0.370 N +ATOM 4168 ND2BASN A 613 -6.982 18.678 3.899 0.50 32.37 -0.370 N +ATOM 4169 OD1AASN A 613 -6.708 17.987 8.212 0.50 27.98 -0.274 OA +ATOM 4170 OD1BASN A 613 -7.403 19.487 5.950 0.50 32.36 -0.274 OA +ATOM 4171 H ASN A 613 -3.543 18.504 4.468 1.00 28.74 0.292 HD +ATOM 4172 1HD2AASN A 613 -8.485 17.441 5.683 0.50 31.50 0.159 HD +ATOM 4173 1HD2BASN A 613 -6.491 17.998 3.336 0.50 0.00 0.159 HD +ATOM 4174 2HD2AASN A 613 -8.989 17.518 7.359 0.50 31.50 0.159 HD +ATOM 4175 2HD2BASN A 613 -7.592 19.352 3.459 0.50 0.00 0.159 HD +ATOM 4176 N THR A 614 -4.083 16.686 7.989 1.00 25.79 -0.349 N +ATOM 4177 CA THR A 614 -3.611 15.448 8.589 1.00 24.03 0.204 C +ATOM 4178 C THR A 614 -4.122 14.234 7.791 1.00 23.14 0.243 C +ATOM 4179 O THR A 614 -5.099 14.332 7.047 1.00 23.95 -0.271 OA +ATOM 4180 CB THR A 614 -4.158 15.384 10.031 1.00 24.89 0.146 C +ATOM 4181 CG2 THR A 614 -3.678 16.526 10.932 1.00 23.18 0.042 C +ATOM 4182 OG1 THR A 614 -5.572 15.341 10.051 1.00 25.47 -0.393 OA +ATOM 4183 H THR A 614 -4.922 17.073 8.402 1.00 25.79 0.163 HD +ATOM 4184 HG1 THR A 614 -5.873 15.500 10.938 1.00 25.47 0.210 HD +ATOM 4185 N ALA A 615 -3.463 13.084 7.976 1.00 20.72 -0.346 N +ATOM 4186 CA ALA A 615 -3.771 11.832 7.302 1.00 20.10 0.172 C +ATOM 4187 C ALA A 615 -3.480 10.619 8.189 1.00 19.10 0.240 C +ATOM 4188 O ALA A 615 -2.742 10.698 9.172 1.00 18.31 -0.271 OA +ATOM 4189 CB ALA A 615 -3.082 11.788 5.926 1.00 19.81 0.042 C +ATOM 4190 H ALA A 615 -2.659 13.081 8.588 1.00 20.72 0.163 HD +ATOM 4191 N THR A 616 -4.072 9.487 7.790 1.00 17.92 -0.344 N +ATOM 4192 CA THR A 616 -3.933 8.152 8.361 1.00 16.95 0.205 C +ATOM 4193 C THR A 616 -3.403 7.189 7.286 1.00 16.40 0.243 C +ATOM 4194 O THR A 616 -3.340 7.530 6.103 1.00 16.77 -0.271 OA +ATOM 4195 CB THR A 616 -5.297 7.695 8.941 1.00 19.12 0.146 C +ATOM 4196 CG2 THR A 616 -5.860 8.626 10.025 1.00 19.07 0.042 C +ATOM 4197 OG1 THR A 616 -6.257 7.524 7.914 1.00 20.39 -0.393 OA +ATOM 4198 H THR A 616 -4.679 9.554 6.980 1.00 17.92 0.163 HD +ATOM 4199 HG1 THR A 616 -6.361 8.348 7.453 1.00 20.39 0.210 HD +ATOM 4200 N CYS A 617 -3.023 5.971 7.704 1.00 15.93 -0.345 N +ATOM 4201 CA CYS A 617 -2.526 4.908 6.824 1.00 15.99 0.185 C +ATOM 4202 C CYS A 617 -3.593 4.385 5.840 1.00 17.87 0.241 C +ATOM 4203 O CYS A 617 -3.232 3.908 4.764 1.00 18.31 -0.271 OA +ATOM 4204 CB CYS A 617 -1.977 3.750 7.678 1.00 16.40 0.105 C +ATOM 4205 SG CYS A 617 -0.480 4.285 8.562 1.00 19.02 -0.180 SA +ATOM 4206 H CYS A 617 -3.087 5.764 8.691 1.00 15.93 0.163 HD +ATOM 4207 HG CYS A 617 -1.059 5.286 9.231 1.00 19.02 0.101 HD +ATOM 4208 N GLU A 618 -4.892 4.538 6.169 1.00 18.59 -0.346 N +ATOM 4209 CA GLU A 618 -6.025 4.211 5.301 1.00 20.98 0.177 C +ATOM 4210 C GLU A 618 -6.166 5.214 4.148 1.00 21.01 0.241 C +ATOM 4211 O GLU A 618 -6.632 4.811 3.087 1.00 21.89 -0.271 OA +ATOM 4212 CB GLU A 618 -7.360 4.255 6.083 1.00 22.63 0.045 C +ATOM 4213 CG GLU A 618 -7.624 3.048 7.002 1.00 25.92 0.116 C +ATOM 4214 CD GLU A 618 -7.018 3.149 8.399 1.00 30.41 0.172 C +ATOM 4215 OE1 GLU A 618 -6.350 4.162 8.704 1.00 30.00 -0.648 OA +ATOM 4216 OE2 GLU A 618 -7.239 2.192 9.169 1.00 33.18 -0.648 OA +ATOM 4217 H GLU A 618 -5.117 4.926 7.076 1.00 18.59 0.163 HD +ATOM 4218 N ASP A 619 -5.761 6.487 4.324 1.00 20.69 -0.346 N +ATOM 4219 CA ASP A 619 -5.794 7.511 3.270 1.00 21.04 0.186 C +ATOM 4220 C ASP A 619 -4.750 7.244 2.178 1.00 19.71 0.241 C +ATOM 4221 O ASP A 619 -5.023 7.518 1.010 1.00 20.69 -0.271 OA +ATOM 4222 CB ASP A 619 -5.548 8.924 3.848 1.00 21.66 0.147 C +ATOM 4223 CG ASP A 619 -6.614 9.369 4.849 1.00 24.55 0.175 C +ATOM 4224 OD1 ASP A 619 -7.807 9.300 4.482 1.00 28.77 -0.648 OA +ATOM 4225 OD2 ASP A 619 -6.223 9.790 5.959 1.00 25.21 -0.648 OA +ATOM 4226 H ASP A 619 -5.384 6.755 5.223 1.00 20.69 0.163 HD +ATOM 4227 N PHE A 620 -3.591 6.663 2.534 1.00 16.97 -0.346 N +ATOM 4228 CA PHE A 620 -2.566 6.271 1.570 1.00 15.54 0.180 C +ATOM 4229 C PHE A 620 -2.962 4.986 0.830 1.00 15.62 0.241 C +ATOM 4230 O PHE A 620 -2.785 4.915 -0.384 1.00 16.13 -0.271 OA +ATOM 4231 CB PHE A 620 -1.228 6.035 2.291 1.00 13.39 0.073 C +ATOM 4232 CG PHE A 620 -0.058 6.033 1.327 1.00 13.92 -0.056 A +ATOM 4233 CD1 PHE A 620 0.535 7.258 0.968 1.00 13.39 0.007 A +ATOM 4234 CD2 PHE A 620 0.380 4.841 0.718 1.00 12.09 0.007 A +ATOM 4235 CE1 PHE A 620 1.532 7.308 -0.019 1.00 14.21 0.001 A +ATOM 4236 CE2 PHE A 620 1.389 4.889 -0.261 1.00 14.07 0.001 A +ATOM 4237 CZ PHE A 620 1.965 6.121 -0.626 1.00 12.47 0.000 A +ATOM 4238 H PHE A 620 -3.433 6.455 3.510 1.00 16.97 0.163 HD +ATOM 4239 N ASN A 621 -3.521 3.995 1.548 1.00 15.80 -0.346 N +ATOM 4240 CA ASN A 621 -4.000 2.733 0.983 1.00 16.43 0.185 C +ATOM 4241 C ASN A 621 -5.230 2.951 0.082 1.00 17.95 0.241 C +ATOM 4242 O ASN A 621 -5.368 2.243 -0.912 1.00 18.10 -0.271 OA +ATOM 4243 CB ASN A 621 -4.339 1.766 2.138 1.00 16.24 0.137 C +ATOM 4244 CG ASN A 621 -4.661 0.351 1.646 1.00 17.01 0.217 C +ATOM 4245 ND2 ASN A 621 -3.638 -0.414 1.270 1.00 18.45 -0.370 N +ATOM 4246 OD1 ASN A 621 -5.820 -0.046 1.608 1.00 15.85 -0.274 OA +ATOM 4247 H ASN A 621 -3.636 4.130 2.543 1.00 15.80 0.163 HD +ATOM 4248 1HD2 ASN A 621 -2.693 -0.052 1.307 1.00 18.45 0.159 HD +ATOM 4249 2HD2 ASN A 621 -3.819 -1.350 0.939 1.00 18.45 0.159 HD +ATOM 4250 N TYR A 622 -6.075 3.950 0.392 1.00 18.79 -0.346 N +ATOM 4251 CA TYR A 622 -7.200 4.395 -0.426 1.00 20.49 0.180 C +ATOM 4252 C TYR A 622 -6.704 4.986 -1.754 1.00 20.01 0.241 C +ATOM 4253 O TYR A 622 -7.200 4.592 -2.804 1.00 21.30 -0.271 OA +ATOM 4254 CB TYR A 622 -8.028 5.441 0.357 1.00 22.02 0.073 C +ATOM 4255 CG TYR A 622 -9.137 6.102 -0.444 1.00 26.18 -0.056 A +ATOM 4256 CD1 TYR A 622 -10.391 5.472 -0.578 1.00 29.18 0.010 A +ATOM 4257 CD2 TYR A 622 -8.888 7.320 -1.110 1.00 28.37 0.010 A +ATOM 4258 CE1 TYR A 622 -11.390 6.058 -1.379 1.00 30.24 0.037 A +ATOM 4259 CE2 TYR A 622 -9.875 7.888 -1.933 1.00 30.90 0.037 A +ATOM 4260 CZ TYR A 622 -11.131 7.263 -2.062 1.00 30.40 0.065 A +ATOM 4261 OH TYR A 622 -12.089 7.824 -2.854 1.00 34.11 -0.361 OA +ATOM 4262 H TYR A 622 -5.901 4.465 1.245 1.00 18.79 0.163 HD +ATOM 4263 HH TYR A 622 -12.874 7.300 -2.905 1.00 34.11 0.217 HD +ATOM 4264 N ALA A 623 -5.717 5.898 -1.708 1.00 18.51 -0.346 N +ATOM 4265 CA ALA A 623 -5.145 6.572 -2.873 1.00 18.73 0.172 C +ATOM 4266 C ALA A 623 -4.406 5.606 -3.816 1.00 18.65 0.240 C +ATOM 4267 O ALA A 623 -4.457 5.782 -5.034 1.00 20.04 -0.271 OA +ATOM 4268 CB ALA A 623 -4.180 7.650 -2.369 1.00 17.68 0.042 C +ATOM 4269 H ALA A 623 -5.359 6.166 -0.801 1.00 18.51 0.163 HD +ATOM 4270 N MET A 624 -3.779 4.559 -3.256 1.00 18.20 -0.346 N +ATOM 4271 CA MET A 624 -3.128 3.477 -3.991 1.00 18.33 0.177 C +ATOM 4272 C MET A 624 -4.130 2.425 -4.490 1.00 19.60 0.241 C +ATOM 4273 O MET A 624 -3.843 1.763 -5.486 1.00 20.93 -0.271 OA +ATOM 4274 CB MET A 624 -2.109 2.787 -3.059 1.00 17.85 0.045 C +ATOM 4275 CG MET A 624 -0.866 3.655 -2.817 1.00 17.43 0.076 C +ATOM 4276 SD MET A 624 0.117 3.931 -4.315 1.00 21.41 -0.173 SA +ATOM 4277 CE MET A 624 1.013 5.423 -3.847 1.00 23.53 0.089 C +ATOM 4278 H MET A 624 -3.770 4.500 -2.246 1.00 18.20 0.163 HD +ATOM 4279 N GLU A 625 -5.306 2.295 -3.850 1.00 19.99 -0.346 N +ATOM 4280 CA GLU A 625 -6.416 1.462 -4.311 1.00 21.42 0.177 C +ATOM 4281 C GLU A 625 -7.118 2.093 -5.527 1.00 23.11 0.241 C +ATOM 4282 O GLU A 625 -7.579 1.350 -6.390 1.00 23.34 -0.271 OA +ATOM 4283 CB GLU A 625 -7.405 1.190 -3.149 1.00 22.37 0.045 C +ATOM 4284 CG GLU A 625 -8.789 0.644 -3.565 1.00 22.75 0.116 C +ATOM 4285 CD GLU A 625 -9.635 0.150 -2.392 1.00 24.73 0.172 C +ATOM 4286 OE1 GLU A 625 -9.097 -0.613 -1.559 1.00 25.69 -0.648 OA +ATOM 4287 OE2 GLU A 625 -10.829 0.520 -2.366 1.00 30.12 -0.648 OA +ATOM 4288 H GLU A 625 -5.467 2.853 -3.022 1.00 19.99 0.163 HD +ATOM 4289 N GLN A 626 -7.150 3.435 -5.646 1.00 23.70 -0.346 N +ATOM 4290 CA GLN A 626 -7.674 4.132 -6.827 1.00 25.72 0.177 C +ATOM 4291 C GLN A 626 -6.774 3.884 -8.049 1.00 25.59 0.241 C +ATOM 4292 O GLN A 626 -7.287 3.678 -9.147 1.00 26.61 -0.271 OA +ATOM 4293 CB GLN A 626 -7.777 5.660 -6.587 1.00 26.47 0.044 C +ATOM 4294 CG GLN A 626 -8.629 6.132 -5.387 1.00 28.44 0.105 C +ATOM 4295 CD GLN A 626 -9.917 5.339 -5.153 1.00 32.42 0.215 C +ATOM 4296 NE2 GLN A 626 -10.841 5.370 -6.114 1.00 32.04 -0.370 N +ATOM 4297 OE1 GLN A 626 -10.069 4.694 -4.119 1.00 35.76 -0.274 OA +ATOM 4298 H GLN A 626 -6.780 3.997 -4.890 1.00 23.70 0.163 HD +ATOM 4299 1HE2 GLN A 626 -10.679 5.911 -6.951 1.00 32.04 0.159 HD +ATOM 4300 2HE2 GLN A 626 -11.708 4.869 -5.991 1.00 32.04 0.159 HD +ATOM 4301 N ALA A 627 -5.447 3.830 -7.845 1.00 25.12 -0.346 N +ATOM 4302 CA ALA A 627 -4.462 3.461 -8.856 1.00 25.54 0.172 C +ATOM 4303 C ALA A 627 -4.493 1.967 -9.209 1.00 26.29 0.240 C +ATOM 4304 O ALA A 627 -4.214 1.618 -10.354 1.00 27.67 -0.271 OA +ATOM 4305 CB ALA A 627 -3.068 3.803 -8.325 1.00 24.07 0.042 C +ATOM 4306 H ALA A 627 -5.105 4.011 -6.911 1.00 25.12 0.163 HD +ATOM 4307 N TYR A 628 -4.856 1.096 -8.251 1.00 26.28 -0.346 N +ATOM 4308 CA TYR A 628 -4.994 -0.348 -8.441 1.00 26.74 0.180 C +ATOM 4309 C TYR A 628 -6.272 -0.683 -9.229 1.00 28.62 0.241 C +ATOM 4310 O TYR A 628 -6.245 -1.596 -10.048 1.00 28.65 -0.271 OA +ATOM 4311 CB TYR A 628 -5.033 -1.036 -7.059 1.00 26.12 0.073 C +ATOM 4312 CG TYR A 628 -4.934 -2.551 -7.086 1.00 26.49 -0.056 A +ATOM 4313 CD1 TYR A 628 -3.745 -3.172 -7.525 1.00 26.96 0.010 A +ATOM 4314 CD2 TYR A 628 -6.023 -3.344 -6.667 1.00 27.88 0.010 A +ATOM 4315 CE1 TYR A 628 -3.649 -4.576 -7.556 1.00 26.55 0.037 A +ATOM 4316 CE2 TYR A 628 -5.924 -4.748 -6.691 1.00 28.58 0.037 A +ATOM 4317 CZ TYR A 628 -4.739 -5.365 -7.141 1.00 28.44 0.065 A +ATOM 4318 OH TYR A 628 -4.647 -6.725 -7.179 1.00 29.06 -0.361 OA +ATOM 4319 H TYR A 628 -5.048 1.460 -7.327 1.00 26.28 0.163 HD +ATOM 4320 HH TYR A 628 -5.397 -7.158 -6.798 1.00 29.06 0.217 HD +ATOM 4321 N LYS A 629 -7.358 0.089 -9.042 1.00 30.35 -0.346 N +ATOM 4322 CA LYS A 629 -8.602 -0.007 -9.808 1.00 33.45 0.176 C +ATOM 4323 C LYS A 629 -8.412 0.418 -11.272 1.00 35.48 0.241 C +ATOM 4324 O LYS A 629 -8.968 -0.219 -12.165 1.00 36.38 -0.271 OA +ATOM 4325 CB LYS A 629 -9.667 0.907 -9.167 1.00 34.22 0.035 C +ATOM 4326 CG LYS A 629 -10.312 0.304 -7.916 1.00 35.43 0.004 C +ATOM 4327 CD LYS A 629 -11.310 1.263 -7.250 1.00 39.92 0.027 C +ATOM 4328 CE LYS A 629 -11.969 0.623 -6.026 1.00 41.92 0.229 C +ATOM 4329 NZ LYS A 629 -13.069 1.438 -5.491 1.00 46.57 -0.079 N +ATOM 4330 H LYS A 629 -7.312 0.805 -8.330 1.00 30.35 0.163 HD +ATOM 4331 HZ1 LYS A 629 -13.728 1.657 -6.224 1.00 46.57 0.274 HD +ATOM 4332 HZ2 LYS A 629 -13.537 0.907 -4.768 1.00 46.57 0.274 HD +ATOM 4333 HZ3 LYS A 629 -12.701 2.287 -5.082 1.00 46.57 0.274 HD +ATOM 4334 N MET A 630 -7.604 1.466 -11.512 1.00 36.32 -0.346 N +ATOM 4335 CA MET A 630 -7.286 1.975 -12.845 1.00 39.13 0.177 C +ATOM 4336 C MET A 630 -6.274 1.077 -13.581 1.00 38.81 0.241 C +ATOM 4337 O MET A 630 -6.324 1.015 -14.809 1.00 40.08 -0.271 OA +ATOM 4338 CB MET A 630 -6.689 3.394 -12.726 1.00 38.48 0.045 C +ATOM 4339 CG MET A 630 -7.723 4.479 -12.388 1.00 40.19 0.076 C +ATOM 4340 SD MET A 630 -7.112 6.188 -12.500 1.00 43.18 -0.173 SA +ATOM 4341 CE MET A 630 -5.879 6.238 -11.173 1.00 38.65 0.089 C +ATOM 4342 H MET A 630 -7.185 1.937 -10.722 1.00 36.32 0.163 HD +ATOM 4343 N LYS A 631 -5.389 0.366 -12.857 1.00 37.53 -0.346 N +ATOM 4344 CA LYS A 631 -4.423 -0.565 -13.439 1.00 37.48 0.176 C +ATOM 4345 C LYS A 631 -5.098 -1.895 -13.814 1.00 38.79 0.241 C +ATOM 4346 O LYS A 631 -4.901 -2.375 -14.929 1.00 40.02 -0.271 OA +ATOM 4347 CB LYS A 631 -3.291 -0.858 -12.432 1.00 35.55 0.035 C +ATOM 4348 CG LYS A 631 -2.199 -1.768 -13.029 1.00 35.10 0.004 C +ATOM 4349 CD LYS A 631 -1.137 -2.176 -12.015 1.00 32.74 0.027 C +ATOM 4350 CE LYS A 631 -0.127 -3.176 -12.600 1.00 33.32 0.229 C +ATOM 4351 NZ LYS A 631 0.769 -2.540 -13.578 1.00 33.59 -0.079 N +ATOM 4352 H LYS A 631 -5.385 0.478 -11.852 1.00 37.53 0.163 HD +ATOM 4353 HZ1 LYS A 631 1.261 -1.779 -13.127 1.00 33.59 0.274 HD +ATOM 4354 HZ2 LYS A 631 1.435 -3.218 -13.920 1.00 33.59 0.274 HD +ATOM 4355 HZ3 LYS A 631 0.228 -2.178 -14.350 1.00 33.59 0.274 HD +ATOM 4356 N LYS A 632 -5.872 -2.490 -12.890 1.00 39.27 -0.346 N +ATOM 4357 CA LYS A 632 -6.543 -3.781 -13.074 1.00 40.82 0.176 C +ATOM 4358 C LYS A 632 -7.756 -3.669 -14.020 1.00 42.96 0.241 C +ATOM 4359 O LYS A 632 -8.228 -4.692 -14.515 1.00 43.85 -0.271 OA +ATOM 4360 CB LYS A 632 -7.011 -4.312 -11.698 1.00 40.10 0.035 C +ATOM 4361 CG LYS A 632 -5.871 -4.615 -10.699 1.00 40.48 0.004 C +ATOM 4362 CD LYS A 632 -5.126 -5.943 -10.915 1.00 42.44 0.027 C +ATOM 4363 CE LYS A 632 -5.914 -7.176 -10.444 1.00 46.45 0.229 C +ATOM 4364 NZ LYS A 632 -5.053 -8.372 -10.390 1.00 49.19 -0.079 N +ATOM 4365 H LYS A 632 -5.985 -2.040 -11.991 1.00 39.27 0.163 HD +ATOM 4366 HZ1 LYS A 632 -4.300 -8.223 -9.729 1.00 49.19 0.274 HD +ATOM 4367 HZ2 LYS A 632 -5.597 -9.169 -10.092 1.00 49.19 0.274 HD +ATOM 4368 HZ3 LYS A 632 -4.662 -8.553 -11.303 1.00 49.19 0.274 HD +ATOM 4369 N ALA A 633 -8.230 -2.436 -14.289 1.00 43.71 -0.346 N +ATOM 4370 CA ALA A 633 -9.246 -2.058 -15.275 1.00 46.03 0.172 C +ATOM 4371 C ALA A 633 -10.686 -2.336 -14.813 1.00 47.18 0.240 C +ATOM 4372 O ALA A 633 -11.592 -2.428 -15.641 1.00 49.36 -0.271 OA +ATOM 4373 CB ALA A 633 -8.913 -2.571 -16.692 1.00 47.19 0.042 C +ATOM 4374 H ALA A 633 -7.789 -1.670 -13.801 1.00 43.71 0.163 HD +ATOM 4375 N ASP A 634 -10.890 -2.474 -13.494 1.00 46.17 -0.346 N +ATOM 4376 CA ASP A 634 -12.157 -2.786 -12.840 1.00 47.08 0.186 C +ATOM 4377 C ASP A 634 -12.201 -2.079 -11.478 1.00 45.47 0.241 C +ATOM 4378 O ASP A 634 -11.242 -2.135 -10.706 1.00 43.88 -0.271 OA +ATOM 4379 CB ASP A 634 -12.401 -4.319 -12.788 1.00 48.12 0.147 C +ATOM 4380 CG ASP A 634 -11.451 -5.135 -11.894 1.00 47.97 0.175 C +ATOM 4381 OD1 ASP A 634 -10.229 -4.882 -11.944 1.00 48.63 -0.648 OA +ATOM 4382 OD2 ASP A 634 -11.965 -6.013 -11.170 1.00 49.11 -0.648 OA +ATOM 4383 H ASP A 634 -10.085 -2.402 -12.886 1.00 46.17 0.163 HD +ATOM 4384 N ASN A 635 -13.335 -1.426 -11.179 1.00 45.95 -0.346 N +ATOM 4385 CA ASN A 635 -13.564 -0.683 -9.936 1.00 44.87 0.185 C +ATOM 4386 C ASN A 635 -14.068 -1.577 -8.784 1.00 43.75 0.241 C +ATOM 4387 O ASN A 635 -14.341 -1.061 -7.701 1.00 43.48 -0.271 OA +ATOM 4388 CB ASN A 635 -14.587 0.453 -10.184 1.00 46.53 0.137 C +ATOM 4389 CG ASN A 635 -14.097 1.520 -11.171 1.00 47.07 0.217 C +ATOM 4390 ND2 ASN A 635 -12.947 2.140 -10.897 1.00 48.75 -0.370 N +ATOM 4391 OD1 ASN A 635 -14.775 1.814 -12.152 1.00 44.97 -0.274 OA +ATOM 4392 H ASN A 635 -14.082 -1.430 -11.859 1.00 45.95 0.163 HD +ATOM 4393 1HD2 ASN A 635 -12.414 1.892 -10.077 1.00 48.75 0.159 HD +ATOM 4394 2HD2 ASN A 635 -12.612 2.857 -11.525 1.00 48.75 0.159 HD +ATOM 4395 N SER A 636 -14.152 -2.904 -8.986 1.00 43.10 -0.344 N +ATOM 4396 CA SER A 636 -14.400 -3.900 -7.941 1.00 42.28 0.200 C +ATOM 4397 C SER A 636 -13.094 -4.377 -7.270 1.00 39.98 0.243 C +ATOM 4398 O SER A 636 -13.162 -4.968 -6.192 1.00 40.04 -0.271 OA +ATOM 4399 CB SER A 636 -15.146 -5.098 -8.568 1.00 43.63 0.199 C +ATOM 4400 OG SER A 636 -14.418 -5.743 -9.595 1.00 43.09 -0.398 OA +ATOM 4401 H SER A 636 -13.928 -3.264 -9.903 1.00 43.10 0.163 HD +ATOM 4402 HG SER A 636 -13.583 -6.040 -9.263 1.00 43.09 0.209 HD +ATOM 4403 N ALA A 637 -11.919 -4.089 -7.864 1.00 37.66 -0.346 N +ATOM 4404 CA ALA A 637 -10.597 -4.381 -7.308 1.00 35.14 0.172 C +ATOM 4405 C ALA A 637 -10.314 -3.490 -6.087 1.00 33.01 0.240 C +ATOM 4406 O ALA A 637 -10.669 -2.312 -6.081 1.00 33.14 -0.271 OA +ATOM 4407 CB ALA A 637 -9.538 -4.117 -8.391 1.00 34.54 0.042 C +ATOM 4408 H ALA A 637 -11.941 -3.596 -8.746 1.00 37.66 0.163 HD +ATOM 4409 N ASN A 638 -9.690 -4.065 -5.049 1.00 30.38 -0.346 N +ATOM 4410 CA ASN A 638 -9.417 -3.410 -3.769 1.00 27.78 0.185 C +ATOM 4411 C ASN A 638 -8.081 -3.840 -3.157 1.00 25.79 0.241 C +ATOM 4412 O ASN A 638 -7.486 -4.835 -3.573 1.00 25.37 -0.271 OA +ATOM 4413 CB ASN A 638 -10.625 -3.510 -2.803 1.00 28.35 0.137 C +ATOM 4414 CG ASN A 638 -10.967 -4.940 -2.376 1.00 29.22 0.217 C +ATOM 4415 ND2 ASN A 638 -12.000 -5.533 -2.975 1.00 29.67 -0.370 N +ATOM 4416 OD1 ASN A 638 -10.304 -5.500 -1.507 1.00 26.22 -0.274 OA +ATOM 4417 H ASN A 638 -9.420 -5.038 -5.129 1.00 30.38 0.163 HD +ATOM 4418 1HD2 ASN A 638 -12.511 -5.053 -3.703 1.00 29.67 0.159 HD +ATOM 4419 2HD2 ASN A 638 -12.250 -6.478 -2.721 1.00 29.67 0.159 HD +ATOM 4420 N LEU A 639 -7.652 -3.093 -2.131 1.00 23.80 -0.346 N +ATOM 4421 CA LEU A 639 -6.471 -3.340 -1.310 1.00 21.52 0.177 C +ATOM 4422 C LEU A 639 -6.857 -3.466 0.177 1.00 20.48 0.241 C +ATOM 4423 O LEU A 639 -6.069 -3.092 1.045 1.00 18.39 -0.271 OA +ATOM 4424 CB LEU A 639 -5.407 -2.243 -1.567 1.00 21.08 0.038 C +ATOM 4425 CG LEU A 639 -4.844 -2.150 -3.003 1.00 22.09 -0.020 C +ATOM 4426 CD1 LEU A 639 -3.849 -0.984 -3.095 1.00 23.65 0.009 C +ATOM 4427 CD2 LEU A 639 -4.162 -3.450 -3.463 1.00 22.52 0.009 C +ATOM 4428 H LEU A 639 -8.207 -2.282 -1.876 1.00 23.80 0.163 HD +ATOM 4429 N ASN A 640 -8.046 -4.022 0.488 1.00 20.12 -0.346 N +ATOM 4430 CA ASN A 640 -8.522 -4.255 1.862 1.00 20.66 0.185 C +ATOM 4431 C ASN A 640 -7.650 -5.266 2.632 1.00 18.39 0.241 C +ATOM 4432 O ASN A 640 -7.423 -5.082 3.828 1.00 18.28 -0.271 OA +ATOM 4433 CB ASN A 640 -9.982 -4.772 1.880 1.00 22.34 0.137 C +ATOM 4434 CG ASN A 640 -11.038 -3.787 1.369 1.00 27.03 0.217 C +ATOM 4435 ND2 ASN A 640 -12.160 -4.309 0.871 1.00 32.47 -0.370 N +ATOM 4436 OD1 ASN A 640 -10.858 -2.575 1.412 1.00 31.49 -0.274 OA +ATOM 4437 H ASN A 640 -8.656 -4.298 -0.269 1.00 20.12 0.163 HD +ATOM 4438 1HD2 ASN A 640 -12.280 -5.310 0.831 1.00 32.47 0.159 HD +ATOM 4439 2HD2 ASN A 640 -12.880 -3.694 0.522 1.00 32.47 0.159 HD +ATOM 4440 N GLN A 641 -7.126 -6.299 1.946 1.00 16.87 -0.346 N +ATOM 4441 CA GLN A 641 -6.177 -7.270 2.495 1.00 16.16 0.177 C +ATOM 4442 C GLN A 641 -4.805 -6.631 2.750 1.00 14.36 0.241 C +ATOM 4443 O GLN A 641 -4.122 -7.034 3.689 1.00 14.72 -0.271 OA +ATOM 4444 CB GLN A 641 -6.012 -8.446 1.507 1.00 16.50 0.044 C +ATOM 4445 CG GLN A 641 -4.987 -9.516 1.955 1.00 17.95 0.105 C +ATOM 4446 CD GLN A 641 -4.883 -10.697 0.999 1.00 18.50 0.215 C +ATOM 4447 NE2 GLN A 641 -4.380 -11.822 1.500 1.00 18.81 -0.370 N +ATOM 4448 OE1 GLN A 641 -5.251 -10.606 -0.168 1.00 22.99 -0.274 OA +ATOM 4449 H GLN A 641 -7.377 -6.399 0.971 1.00 16.87 0.163 HD +ATOM 4450 1HE2 GLN A 641 -4.084 -11.867 2.467 1.00 18.81 0.159 HD +ATOM 4451 2HE2 GLN A 641 -4.334 -12.648 0.914 1.00 18.81 0.159 HD +ATOM 4452 N TYR A 642 -4.410 -5.637 1.936 1.00 13.87 -0.346 N +ATOM 4453 CA TYR A 642 -3.129 -4.944 2.034 1.00 13.13 0.180 C +ATOM 4454 C TYR A 642 -2.966 -4.166 3.356 1.00 12.87 0.241 C +ATOM 4455 O TYR A 642 -1.839 -4.010 3.822 1.00 12.55 -0.271 OA +ATOM 4456 CB TYR A 642 -2.954 -4.011 0.824 1.00 13.28 0.073 C +ATOM 4457 CG TYR A 642 -1.508 -3.640 0.587 1.00 11.08 -0.056 A +ATOM 4458 CD1 TYR A 642 -0.719 -4.434 -0.270 1.00 12.08 0.010 A +ATOM 4459 CD2 TYR A 642 -0.926 -2.565 1.290 1.00 12.28 0.010 A +ATOM 4460 CE1 TYR A 642 0.656 -4.177 -0.388 1.00 10.12 0.037 A +ATOM 4461 CE2 TYR A 642 0.449 -2.310 1.174 1.00 9.83 0.037 A +ATOM 4462 CZ TYR A 642 1.232 -3.118 0.334 1.00 10.82 0.065 A +ATOM 4463 OH TYR A 642 2.559 -2.882 0.221 1.00 11.46 -0.361 OA +ATOM 4464 H TYR A 642 -5.044 -5.335 1.209 1.00 13.87 0.163 HD +ATOM 4465 HH TYR A 642 2.850 -2.091 0.658 1.00 11.46 0.217 HD +ATOM 4466 N LEU A 643 -4.073 -3.750 3.999 1.00 14.26 -0.346 N +ATOM 4467 CA LEU A 643 -4.093 -3.136 5.330 1.00 15.18 0.177 C +ATOM 4468 C LEU A 643 -3.585 -4.061 6.455 1.00 14.83 0.241 C +ATOM 4469 O LEU A 643 -3.234 -3.557 7.522 1.00 14.78 -0.271 OA +ATOM 4470 CB LEU A 643 -5.516 -2.641 5.665 1.00 16.79 0.038 C +ATOM 4471 CG LEU A 643 -5.990 -1.431 4.835 1.00 22.56 -0.020 C +ATOM 4472 CD1 LEU A 643 -7.507 -1.236 4.978 1.00 23.74 0.009 C +ATOM 4473 CD2 LEU A 643 -5.251 -0.134 5.218 1.00 23.44 0.009 C +ATOM 4474 H LEU A 643 -4.967 -3.916 3.557 1.00 14.26 0.163 HD +ATOM 4475 N LEU A 644 -3.484 -5.385 6.223 1.00 13.49 -0.346 N +ATOM 4476 CA LEU A 644 -2.848 -6.338 7.137 1.00 13.47 0.177 C +ATOM 4477 C LEU A 644 -1.324 -6.143 7.232 1.00 11.33 0.241 C +ATOM 4478 O LEU A 644 -0.745 -6.542 8.238 1.00 13.23 -0.271 OA +ATOM 4479 CB LEU A 644 -3.123 -7.794 6.709 1.00 13.12 0.038 C +ATOM 4480 CG LEU A 644 -4.587 -8.267 6.798 1.00 15.75 -0.020 C +ATOM 4481 CD1 LEU A 644 -4.727 -9.647 6.137 1.00 15.73 0.009 C +ATOM 4482 CD2 LEU A 644 -5.095 -8.321 8.249 1.00 17.98 0.009 C +ATOM 4483 H LEU A 644 -3.799 -5.742 5.330 1.00 13.49 0.163 HD +ATOM 4484 N TRP A 645 -0.672 -5.480 6.257 1.00 10.84 -0.346 N +ATOM 4485 CA TRP A 645 0.734 -5.073 6.362 1.00 10.67 0.181 C +ATOM 4486 C TRP A 645 0.961 -3.963 7.396 1.00 10.37 0.241 C +ATOM 4487 O TRP A 645 2.089 -3.814 7.857 1.00 11.02 -0.271 OA +ATOM 4488 CB TRP A 645 1.255 -4.559 5.009 1.00 9.38 0.075 C +ATOM 4489 CG TRP A 645 1.616 -5.615 4.018 1.00 8.67 -0.028 A +ATOM 4490 CD1 TRP A 645 1.016 -5.814 2.826 1.00 12.08 0.096 A +ATOM 4491 CD2 TRP A 645 2.682 -6.607 4.109 1.00 8.45 -0.002 A +ATOM 4492 CE2 TRP A 645 2.659 -7.397 2.923 1.00 9.14 0.042 A +ATOM 4493 CE3 TRP A 645 3.680 -6.916 5.066 1.00 8.02 0.014 A +ATOM 4494 NE1 TRP A 645 1.624 -6.870 2.183 1.00 11.80 -0.365 N +ATOM 4495 CZ2 TRP A 645 3.577 -8.435 2.691 1.00 8.65 0.030 A +ATOM 4496 CZ3 TRP A 645 4.597 -7.965 4.852 1.00 8.72 0.001 A +ATOM 4497 CH2 TRP A 645 4.552 -8.722 3.664 1.00 8.57 0.002 A +ATOM 4498 H TRP A 645 -1.193 -5.152 5.455 1.00 10.84 0.163 HD +ATOM 4499 HE1 TRP A 645 1.344 -7.196 1.265 1.00 11.80 0.165 HD +ATOM 4500 N PHE A 646 -0.089 -3.208 7.760 1.00 10.38 -0.346 N +ATOM 4501 CA PHE A 646 -0.041 -2.150 8.764 1.00 10.72 0.180 C +ATOM 4502 C PHE A 646 -0.441 -2.653 10.158 1.00 11.11 0.241 C +ATOM 4503 O PHE A 646 -0.061 -2.011 11.135 1.00 12.01 -0.271 OA +ATOM 4504 CB PHE A 646 -0.993 -1.009 8.352 1.00 11.77 0.073 C +ATOM 4505 CG PHE A 646 -0.494 -0.224 7.154 1.00 11.14 -0.056 A +ATOM 4506 CD1 PHE A 646 0.309 0.921 7.340 1.00 10.94 0.007 A +ATOM 4507 CD2 PHE A 646 -0.799 -0.657 5.848 1.00 13.53 0.007 A +ATOM 4508 CE1 PHE A 646 0.791 1.634 6.225 1.00 13.14 0.001 A +ATOM 4509 CE2 PHE A 646 -0.315 0.053 4.735 1.00 14.96 0.001 A +ATOM 4510 CZ PHE A 646 0.476 1.203 4.921 1.00 13.65 0.000 A +ATOM 4511 H PHE A 646 -0.983 -3.394 7.328 1.00 10.38 0.163 HD +ATOM 4512 N SER A 647 -1.184 -3.771 10.265 1.00 11.82 -0.344 N +ATOM 4513 CA SER A 647 -1.763 -4.261 11.519 1.00 12.55 0.200 C +ATOM 4514 C SER A 647 -1.159 -5.581 12.017 1.00 12.25 0.243 C +ATOM 4515 O SER A 647 -1.147 -5.797 13.227 1.00 13.52 -0.271 OA +ATOM 4516 CB SER A 647 -3.296 -4.368 11.361 1.00 14.10 0.199 C +ATOM 4517 OG SER A 647 -3.700 -5.434 10.526 1.00 14.71 -0.398 OA +ATOM 4518 H SER A 647 -1.446 -4.256 9.419 1.00 11.82 0.163 HD +ATOM 4519 HG SER A 647 -3.567 -6.251 10.991 1.00 14.71 0.209 HD +ATOM 4520 N GLN A 648 -0.658 -6.458 11.133 1.00 11.50 -0.346 N +ATOM 4521 CA GLN A 648 -0.099 -7.753 11.519 1.00 11.42 0.177 C +ATOM 4522 C GLN A 648 1.415 -7.614 11.711 1.00 11.40 0.241 C +ATOM 4523 O GLN A 648 2.120 -7.178 10.802 1.00 10.62 -0.271 OA +ATOM 4524 CB GLN A 648 -0.395 -8.785 10.411 1.00 12.01 0.044 C +ATOM 4525 CG GLN A 648 0.038 -10.220 10.766 1.00 12.85 0.105 C +ATOM 4526 CD GLN A 648 -0.547 -11.243 9.794 1.00 13.34 0.215 C +ATOM 4527 NE2 GLN A 648 0.307 -11.976 9.080 1.00 15.60 -0.370 N +ATOM 4528 OE1 GLN A 648 -1.761 -11.381 9.693 1.00 17.96 -0.274 OA +ATOM 4529 H GLN A 648 -0.680 -6.236 10.146 1.00 11.50 0.163 HD +ATOM 4530 1HE2 GLN A 648 1.303 -11.821 9.164 1.00 15.60 0.159 HD +ATOM 4531 2HE2 GLN A 648 -0.058 -12.647 8.417 1.00 15.60 0.159 HD +ATOM 4532 N SER A 649 1.904 -8.004 12.897 1.00 11.70 -0.344 N +ATOM 4533 CA SER A 649 3.324 -8.067 13.239 1.00 10.73 0.200 C +ATOM 4534 C SER A 649 3.931 -9.411 12.799 1.00 10.50 0.242 C +ATOM 4535 O SER A 649 3.218 -10.328 12.387 1.00 11.87 -0.271 OA +ATOM 4536 CB SER A 649 3.446 -7.900 14.765 1.00 10.96 0.199 C +ATOM 4537 OG SER A 649 2.932 -8.996 15.480 1.00 10.72 -0.398 OA +ATOM 4538 H SER A 649 1.256 -8.339 13.596 1.00 11.70 0.163 HD +ATOM 4539 HG SER A 649 3.534 -9.729 15.417 1.00 10.72 0.209 HD +ATOM 4540 N GLY A 650 5.261 -9.524 12.894 1.00 10.62 -0.350 N +ATOM 4541 CA GLY A 650 6.020 -10.703 12.502 1.00 10.98 0.225 C +ATOM 4542 C GLY A 650 6.378 -10.699 11.015 1.00 11.33 0.236 C +ATOM 4543 O GLY A 650 5.733 -10.028 10.208 1.00 11.33 -0.272 OA +ATOM 4544 H GLY A 650 5.800 -8.736 13.236 1.00 10.62 0.163 HD +ATOM 4545 N THR A 651 7.414 -11.468 10.662 1.00 9.88 -0.344 N +ATOM 4546 CA THR A 651 7.933 -11.599 9.304 1.00 9.89 0.205 C +ATOM 4547 C THR A 651 7.329 -12.880 8.692 1.00 10.50 0.245 C +ATOM 4548 O THR A 651 7.575 -13.960 9.232 1.00 11.71 -0.271 OA +ATOM 4549 CB THR A 651 9.465 -11.790 9.392 1.00 8.60 0.146 C +ATOM 4550 CG2 THR A 651 10.156 -11.842 8.021 1.00 9.46 0.042 C +ATOM 4551 OG1 THR A 651 10.046 -10.719 10.101 1.00 7.71 -0.393 OA +ATOM 4552 H THR A 651 7.903 -11.974 11.390 1.00 9.88 0.163 HD +ATOM 4553 HG1 THR A 651 10.956 -10.924 10.258 1.00 7.71 0.210 HD +ATOM 4554 N PRO A 652 6.571 -12.810 7.573 1.00 9.08 -0.337 N +ATOM 4555 CA PRO A 652 6.104 -13.994 6.833 1.00 9.98 0.179 C +ATOM 4556 C PRO A 652 7.277 -14.838 6.310 1.00 9.69 0.241 C +ATOM 4557 O PRO A 652 8.297 -14.298 5.894 1.00 9.08 -0.271 OA +ATOM 4558 CB PRO A 652 5.303 -13.459 5.634 1.00 10.05 0.037 C +ATOM 4559 CG PRO A 652 5.012 -12.007 5.959 1.00 9.91 0.022 C +ATOM 4560 CD PRO A 652 6.048 -11.580 6.991 1.00 9.88 0.127 C +ATOM 4561 N HIS A 653 7.110 -16.161 6.322 1.00 9.72 -0.346 N +ATOM 4562 CA HIS A 653 8.009 -17.135 5.723 1.00 10.49 0.182 C +ATOM 4563 C HIS A 653 7.348 -17.600 4.437 1.00 10.37 0.241 C +ATOM 4564 O HIS A 653 6.251 -18.151 4.494 1.00 12.26 -0.271 OA +ATOM 4565 CB HIS A 653 8.161 -18.354 6.655 1.00 10.76 0.093 C +ATOM 4566 CG HIS A 653 8.723 -18.026 8.011 1.00 13.78 0.030 A +ATOM 4567 CD2 HIS A 653 9.995 -18.140 8.519 1.00 12.93 0.143 A +ATOM 4568 ND1 HIS A 653 7.960 -17.478 9.027 1.00 15.58 -0.353 N +ATOM 4569 CE1 HIS A 653 8.770 -17.290 10.069 1.00 13.87 0.207 A +ATOM 4570 NE2 HIS A 653 10.017 -17.659 9.826 1.00 13.20 -0.254 NA +ATOM 4571 H HIS A 653 6.257 -16.531 6.724 1.00 9.72 0.163 HD +ATOM 4572 HD1 HIS A 653 6.970 -17.273 8.984 1.00 15.58 0.166 HD +ATOM 4573 N VAL A 654 8.010 -17.383 3.293 1.00 10.05 -0.346 N +ATOM 4574 CA VAL A 654 7.521 -17.789 1.983 1.00 10.64 0.180 C +ATOM 4575 C VAL A 654 8.424 -18.920 1.480 1.00 10.64 0.241 C +ATOM 4576 O VAL A 654 9.603 -18.703 1.198 1.00 11.83 -0.271 OA +ATOM 4577 CB VAL A 654 7.439 -16.591 1.006 1.00 10.69 0.009 C +ATOM 4578 CG1 VAL A 654 6.810 -17.031 -0.330 1.00 10.00 0.012 C +ATOM 4579 CG2 VAL A 654 6.603 -15.441 1.598 1.00 11.33 0.012 C +ATOM 4580 H VAL A 654 8.925 -16.950 3.334 1.00 10.05 0.163 HD +ATOM 4581 N SER A 655 7.838 -20.121 1.378 1.00 10.17 -0.344 N +ATOM 4582 CA SER A 655 8.474 -21.361 0.948 1.00 11.07 0.200 C +ATOM 4583 C SER A 655 7.941 -21.793 -0.421 1.00 11.49 0.243 C +ATOM 4584 O SER A 655 6.832 -21.424 -0.809 1.00 11.15 -0.271 OA +ATOM 4585 CB SER A 655 8.260 -22.443 2.027 1.00 12.44 0.199 C +ATOM 4586 OG SER A 655 6.942 -22.951 2.063 1.00 15.09 -0.398 OA +ATOM 4587 H SER A 655 6.853 -20.177 1.605 1.00 10.17 0.163 HD +ATOM 4588 HG SER A 655 6.376 -22.273 2.406 1.00 15.09 0.209 HD +ATOM 4589 N PHE A 656 8.764 -22.562 -1.148 1.00 10.59 -0.346 N +ATOM 4590 CA PHE A 656 8.568 -22.900 -2.554 1.00 11.41 0.180 C +ATOM 4591 C PHE A 656 8.717 -24.402 -2.803 1.00 13.04 0.241 C +ATOM 4592 O PHE A 656 9.587 -25.048 -2.230 1.00 12.86 -0.271 OA +ATOM 4593 CB PHE A 656 9.554 -22.090 -3.412 1.00 10.68 0.073 C +ATOM 4594 CG PHE A 656 9.283 -20.599 -3.429 1.00 10.92 -0.056 A +ATOM 4595 CD1 PHE A 656 8.415 -20.057 -4.396 1.00 11.67 0.007 A +ATOM 4596 CD2 PHE A 656 9.886 -19.751 -2.479 1.00 10.40 0.007 A +ATOM 4597 CE1 PHE A 656 8.169 -18.672 -4.433 1.00 10.19 0.001 A +ATOM 4598 CE2 PHE A 656 9.630 -18.369 -2.503 1.00 10.05 0.001 A +ATOM 4599 CZ PHE A 656 8.776 -17.828 -3.486 1.00 10.45 0.000 A +ATOM 4600 H PHE A 656 9.654 -22.819 -0.744 1.00 10.59 0.163 HD +ATOM 4601 N LYS A 657 7.901 -24.936 -3.717 1.00 13.06 -0.346 N +ATOM 4602 CA LYS A 657 8.037 -26.253 -4.328 1.00 14.09 0.176 C +ATOM 4603 C LYS A 657 7.861 -26.110 -5.836 1.00 14.29 0.241 C +ATOM 4604 O LYS A 657 7.125 -25.239 -6.298 1.00 14.38 -0.271 OA +ATOM 4605 CB LYS A 657 7.074 -27.281 -3.707 1.00 14.65 0.035 C +ATOM 4606 CG LYS A 657 7.533 -27.778 -2.331 1.00 21.15 0.004 C +ATOM 4607 CD LYS A 657 6.720 -28.981 -1.835 1.00 27.73 0.027 C +ATOM 4608 CE LYS A 657 7.231 -29.543 -0.501 1.00 33.31 0.229 C +ATOM 4609 NZ LYS A 657 6.970 -28.618 0.616 1.00 34.38 -0.079 N +ATOM 4610 H LYS A 657 7.191 -24.336 -4.119 1.00 13.06 0.163 HD +ATOM 4611 HZ1 LYS A 657 5.980 -28.426 0.676 1.00 34.38 0.274 HD +ATOM 4612 HZ2 LYS A 657 7.284 -29.032 1.482 1.00 34.38 0.274 HD +ATOM 4613 HZ3 LYS A 657 7.469 -27.749 0.466 1.00 34.38 0.274 HD +ATOM 4614 N TYR A 658 8.562 -26.959 -6.597 1.00 14.26 -0.346 N +ATOM 4615 CA TYR A 658 8.660 -26.869 -8.048 1.00 13.24 0.180 C +ATOM 4616 C TYR A 658 8.243 -28.182 -8.695 1.00 14.62 0.241 C +ATOM 4617 O TYR A 658 8.411 -29.260 -8.122 1.00 14.17 -0.271 OA +ATOM 4618 CB TYR A 658 10.095 -26.490 -8.458 1.00 13.55 0.073 C +ATOM 4619 CG TYR A 658 10.645 -25.297 -7.709 1.00 13.80 -0.056 A +ATOM 4620 CD1 TYR A 658 10.049 -24.028 -7.859 1.00 12.82 0.010 A +ATOM 4621 CD2 TYR A 658 11.716 -25.477 -6.811 1.00 13.61 0.010 A +ATOM 4622 CE1 TYR A 658 10.544 -22.934 -7.129 1.00 12.99 0.037 A +ATOM 4623 CE2 TYR A 658 12.212 -24.384 -6.084 1.00 11.89 0.037 A +ATOM 4624 CZ TYR A 658 11.635 -23.114 -6.261 1.00 13.57 0.065 A +ATOM 4625 OH TYR A 658 12.148 -22.047 -5.601 1.00 13.45 -0.361 OA +ATOM 4626 H TYR A 658 9.143 -27.654 -6.143 1.00 14.26 0.163 HD +ATOM 4627 HH TYR A 658 12.742 -22.298 -4.903 1.00 13.45 0.217 HD +ATOM 4628 N ASN A 659 7.744 -28.066 -9.927 1.00 13.26 -0.346 N +ATOM 4629 CA ASN A 659 7.521 -29.161 -10.852 1.00 14.90 0.185 C +ATOM 4630 C ASN A 659 7.865 -28.654 -12.247 1.00 14.51 0.241 C +ATOM 4631 O ASN A 659 7.497 -27.538 -12.610 1.00 14.69 -0.271 OA +ATOM 4632 CB ASN A 659 6.088 -29.717 -10.711 1.00 15.64 0.137 C +ATOM 4633 CG ASN A 659 5.854 -30.989 -11.530 1.00 19.82 0.217 C +ATOM 4634 ND2 ASN A 659 6.361 -32.126 -11.050 1.00 24.77 -0.370 N +ATOM 4635 OD1 ASN A 659 5.208 -30.947 -12.575 1.00 22.81 -0.274 OA +ATOM 4636 H ASN A 659 7.623 -27.135 -10.304 1.00 13.26 0.163 HD +ATOM 4637 1HD2 ASN A 659 6.887 -32.128 -10.187 1.00 24.77 0.159 HD +ATOM 4638 2HD2 ASN A 659 6.221 -32.986 -11.561 1.00 24.77 0.159 HD +ATOM 4639 N TYR A 660 8.534 -29.508 -13.026 1.00 15.80 -0.346 N +ATOM 4640 CA TYR A 660 8.757 -29.326 -14.446 1.00 15.62 0.180 C +ATOM 4641 C TYR A 660 8.375 -30.615 -15.167 1.00 17.47 0.241 C +ATOM 4642 O TYR A 660 8.892 -31.687 -14.849 1.00 18.06 -0.271 OA +ATOM 4643 CB TYR A 660 10.202 -28.884 -14.730 1.00 15.79 0.073 C +ATOM 4644 CG TYR A 660 10.437 -28.585 -16.200 1.00 15.50 -0.056 A +ATOM 4645 CD1 TYR A 660 9.790 -27.489 -16.807 1.00 14.05 0.010 A +ATOM 4646 CD2 TYR A 660 11.241 -29.441 -16.978 1.00 16.69 0.010 A +ATOM 4647 CE1 TYR A 660 9.922 -27.264 -18.189 1.00 15.97 0.037 A +ATOM 4648 CE2 TYR A 660 11.391 -29.205 -18.357 1.00 17.55 0.037 A +ATOM 4649 CZ TYR A 660 10.716 -28.130 -18.965 1.00 16.38 0.065 A +ATOM 4650 OH TYR A 660 10.826 -27.934 -20.308 1.00 18.86 -0.361 OA +ATOM 4651 H TYR A 660 8.825 -30.394 -12.633 1.00 15.80 0.163 HD +ATOM 4652 HH TYR A 660 10.390 -27.142 -20.598 1.00 18.86 0.217 HD +ATOM 4653 N ASP A 661 7.494 -30.477 -16.163 1.00 17.97 -0.345 N +ATOM 4654 CA ASP A 661 7.142 -31.510 -17.118 1.00 20.59 0.186 C +ATOM 4655 C ASP A 661 7.802 -31.119 -18.446 1.00 21.42 0.241 C +ATOM 4656 O ASP A 661 7.437 -30.113 -19.056 1.00 21.83 -0.271 OA +ATOM 4657 CB ASP A 661 5.603 -31.581 -17.203 1.00 21.09 0.147 C +ATOM 4658 CG ASP A 661 5.093 -32.816 -17.949 1.00 21.90 0.175 C +ATOM 4659 OD1 ASP A 661 5.444 -32.964 -19.138 1.00 25.37 -0.648 OA +ATOM 4660 OD2 ASP A 661 4.337 -33.588 -17.319 1.00 26.94 -0.648 OA +ATOM 4661 H ASP A 661 7.116 -29.554 -16.337 1.00 17.97 0.163 HD +ATOM 4662 N ALA A 662 8.795 -31.917 -18.867 1.00 23.14 -0.346 N +ATOM 4663 CA ALA A 662 9.605 -31.699 -20.062 1.00 24.61 0.172 C +ATOM 4664 C ALA A 662 8.852 -31.998 -21.364 1.00 26.18 0.240 C +ATOM 4665 O ALA A 662 9.193 -31.429 -22.399 1.00 26.84 -0.271 OA +ATOM 4666 CB ALA A 662 10.831 -32.623 -19.982 1.00 25.73 0.042 C +ATOM 4667 H ALA A 662 9.030 -32.720 -18.298 1.00 23.14 0.163 HD +ATOM 4668 N GLU A 663 7.823 -32.856 -21.318 1.00 27.19 -0.346 N +ATOM 4669 CA GLU A 663 7.010 -33.252 -22.463 1.00 28.64 0.177 C +ATOM 4670 C GLU A 663 5.968 -32.158 -22.757 1.00 27.50 0.241 C +ATOM 4671 O GLU A 663 5.791 -31.790 -23.918 1.00 27.32 -0.271 OA +ATOM 4672 CB GLU A 663 6.275 -34.574 -22.134 1.00 30.07 0.045 C +ATOM 4673 CG GLU A 663 7.171 -35.837 -22.124 1.00 36.43 0.116 C +ATOM 4674 CD GLU A 663 8.162 -35.951 -20.957 1.00 41.45 0.172 C +ATOM 4675 OE1 GLU A 663 7.844 -35.453 -19.853 1.00 42.00 -0.648 OA +ATOM 4676 OE2 GLU A 663 9.236 -36.544 -21.193 1.00 43.75 -0.648 OA +ATOM 4677 H GLU A 663 7.603 -33.296 -20.432 1.00 27.19 0.163 HD +ATOM 4678 N LYS A 664 5.322 -31.607 -21.713 1.00 25.31 -0.346 N +ATOM 4679 CA LYS A 664 4.333 -30.534 -21.821 1.00 24.68 0.176 C +ATOM 4680 C LYS A 664 4.980 -29.150 -21.985 1.00 23.25 0.241 C +ATOM 4681 O LYS A 664 4.296 -28.240 -22.446 1.00 22.77 -0.271 OA +ATOM 4682 CB LYS A 664 3.492 -30.478 -20.527 1.00 24.73 0.035 C +ATOM 4683 CG LYS A 664 2.537 -31.666 -20.346 1.00 26.90 0.004 C +ATOM 4684 CD LYS A 664 1.715 -31.542 -19.051 1.00 29.60 0.027 C +ATOM 4685 CE LYS A 664 0.807 -32.750 -18.782 1.00 32.80 0.229 C +ATOM 4686 NZ LYS A 664 1.592 -33.954 -18.460 1.00 37.48 -0.079 N +ATOM 4687 H LYS A 664 5.507 -31.981 -20.788 1.00 25.31 0.163 HD +ATOM 4688 HZ1 LYS A 664 2.229 -33.750 -17.699 1.00 37.48 0.274 HD +ATOM 4689 HZ2 LYS A 664 0.978 -34.709 -18.193 1.00 37.48 0.274 HD +ATOM 4690 HZ3 LYS A 664 2.139 -34.227 -19.263 1.00 37.48 0.274 HD +ATOM 4691 N LYS A 665 6.253 -28.975 -21.576 1.00 21.89 -0.346 N +ATOM 4692 CA LYS A 665 6.989 -27.702 -21.521 1.00 20.60 0.176 C +ATOM 4693 C LYS A 665 6.408 -26.773 -20.441 1.00 19.17 0.241 C +ATOM 4694 O LYS A 665 6.370 -25.556 -20.612 1.00 19.55 -0.271 OA +ATOM 4695 CB LYS A 665 7.115 -27.025 -22.911 1.00 21.41 0.035 C +ATOM 4696 CG LYS A 665 7.776 -27.898 -23.991 1.00 23.52 0.004 C +ATOM 4697 CD LYS A 665 9.241 -28.243 -23.679 1.00 27.17 0.027 C +ATOM 4698 CE LYS A 665 9.963 -28.939 -24.840 1.00 31.25 0.229 C +ATOM 4699 NZ LYS A 665 9.479 -30.317 -25.023 1.00 31.78 -0.079 N +ATOM 4700 H LYS A 665 6.727 -29.780 -21.191 1.00 21.89 0.163 HD +ATOM 4701 HZ1 LYS A 665 8.503 -30.303 -25.280 1.00 31.78 0.274 HD +ATOM 4702 HZ2 LYS A 665 10.016 -30.781 -25.742 1.00 31.78 0.274 HD +ATOM 4703 HZ3 LYS A 665 9.579 -30.820 -24.148 1.00 31.78 0.274 HD +ATOM 4704 N GLN A 666 5.899 -27.365 -19.353 1.00 17.32 -0.346 N +ATOM 4705 CA GLN A 666 5.123 -26.698 -18.323 1.00 15.95 0.177 C +ATOM 4706 C GLN A 666 5.932 -26.699 -17.027 1.00 14.37 0.241 C +ATOM 4707 O GLN A 666 6.383 -27.752 -16.578 1.00 14.32 -0.271 OA +ATOM 4708 CB GLN A 666 3.793 -27.459 -18.168 1.00 16.22 0.044 C +ATOM 4709 CG GLN A 666 2.759 -26.721 -17.304 1.00 14.74 0.105 C +ATOM 4710 CD GLN A 666 1.408 -27.436 -17.327 1.00 16.99 0.215 C +ATOM 4711 NE2 GLN A 666 0.374 -26.773 -17.848 1.00 19.51 -0.370 N +ATOM 4712 OE1 GLN A 666 1.295 -28.574 -16.879 1.00 17.11 -0.274 OA +ATOM 4713 H GLN A 666 6.005 -28.367 -19.269 1.00 17.32 0.163 HD +ATOM 4714 1HE2 GLN A 666 0.517 -25.857 -18.254 1.00 19.51 0.159 HD +ATOM 4715 2HE2 GLN A 666 -0.536 -27.208 -17.874 1.00 19.51 0.159 HD +ATOM 4716 N TYR A 667 6.106 -25.507 -16.442 1.00 13.68 -0.346 N +ATOM 4717 CA TYR A 667 6.768 -25.277 -15.167 1.00 12.17 0.180 C +ATOM 4718 C TYR A 667 5.739 -24.741 -14.170 1.00 13.03 0.241 C +ATOM 4719 O TYR A 667 4.938 -23.879 -14.518 1.00 13.82 -0.271 OA +ATOM 4720 CB TYR A 667 7.898 -24.251 -15.369 1.00 12.57 0.073 C +ATOM 4721 CG TYR A 667 8.760 -24.035 -14.141 1.00 12.47 -0.056 A +ATOM 4722 CD1 TYR A 667 9.468 -25.124 -13.599 1.00 14.15 0.010 A +ATOM 4723 CD2 TYR A 667 8.843 -22.770 -13.523 1.00 10.82 0.010 A +ATOM 4724 CE1 TYR A 667 10.252 -24.962 -12.446 1.00 13.49 0.037 A +ATOM 4725 CE2 TYR A 667 9.643 -22.605 -12.376 1.00 10.20 0.037 A +ATOM 4726 CZ TYR A 667 10.349 -23.697 -11.839 1.00 10.92 0.065 A +ATOM 4727 OH TYR A 667 11.133 -23.525 -10.740 1.00 15.08 -0.361 OA +ATOM 4728 H TYR A 667 5.689 -24.699 -16.888 1.00 13.68 0.163 HD +ATOM 4729 HH TYR A 667 11.109 -22.642 -10.404 1.00 15.08 0.217 HD +ATOM 4730 N SER A 668 5.783 -25.236 -12.928 1.00 11.86 -0.344 N +ATOM 4731 CA SER A 668 4.899 -24.844 -11.837 1.00 11.79 0.200 C +ATOM 4732 C SER A 668 5.738 -24.421 -10.633 1.00 11.87 0.243 C +ATOM 4733 O SER A 668 6.673 -25.126 -10.254 1.00 12.53 -0.271 OA +ATOM 4734 CB SER A 668 3.962 -26.013 -11.487 1.00 12.43 0.199 C +ATOM 4735 OG SER A 668 3.053 -26.251 -12.543 1.00 14.78 -0.398 OA +ATOM 4736 H SER A 668 6.476 -25.945 -12.722 1.00 11.86 0.163 HD +ATOM 4737 HG SER A 668 2.568 -25.455 -12.707 1.00 14.78 0.209 HD +ATOM 4738 N ILE A 669 5.373 -23.283 -10.027 1.00 10.97 -0.346 N +ATOM 4739 CA ILE A 669 5.899 -22.786 -8.762 1.00 10.55 0.188 C +ATOM 4740 C ILE A 669 4.716 -22.812 -7.782 1.00 10.06 0.341 C +ATOM 4741 O ILE A 669 3.841 -21.949 -7.854 1.00 11.02 -0.263 OA +ATOM 4742 CB ILE A 669 6.459 -21.340 -8.934 1.00 9.42 0.013 C +ATOM 4743 CG1 ILE A 669 7.533 -21.239 -10.041 1.00 9.56 0.002 C +ATOM 4744 CG2 ILE A 669 7.023 -20.807 -7.603 1.00 8.93 0.012 C +ATOM 4745 CD1 ILE A 669 8.071 -19.814 -10.258 1.00 10.97 0.005 C +ATOM 4746 H ILE A 669 4.613 -22.754 -10.435 1.00 10.97 0.163 HD +ATOM 4747 N HIS A 670 4.708 -23.779 -6.852 1.00 10.69 0.018 N +ATOM 4748 CA AHIS A 670 3.798 -23.801 -5.712 0.50 10.01 0.288 C +ATOM 4749 CA BHIS A 670 3.970 -23.836 -5.600 0.00 11.51 0.288 C +ATOM 4750 C HIS A 670 4.454 -23.005 -4.580 1.00 11.18 0.205 C +ATOM 4751 O HIS A 670 5.566 -23.317 -4.162 1.00 11.49 -0.279 OA +ATOM 4752 CB AHIS A 670 3.555 -25.249 -5.245 0.50 9.34 0.104 C +ATOM 4753 CB BHIS A 670 3.835 -25.304 -5.186 0.00 10.76 0.104 C +ATOM 4754 CG AHIS A 670 2.619 -25.328 -4.060 0.50 11.93 0.053 A +ATOM 4755 CG BHIS A 670 3.733 -26.249 -6.342 0.00 14.11 0.053 A +ATOM 4756 CD2AHIS A 670 2.906 -25.655 -2.752 0.50 13.05 0.116 A +ATOM 4757 CD2BHIS A 670 4.560 -27.233 -6.769 0.00 15.18 0.116 A +ATOM 4758 ND1AHIS A 670 1.262 -25.001 -4.153 0.50 10.35 -0.247 NA +ATOM 4759 ND1BHIS A 670 2.670 -26.237 -7.218 0.00 14.09 -0.247 NA +ATOM 4760 CE1AHIS A 670 0.792 -25.129 -2.921 0.50 13.14 0.207 A +ATOM 4761 CE1BHIS A 670 2.845 -27.172 -8.134 0.00 14.12 0.207 A +ATOM 4762 NE2AHIS A 670 1.724 -25.509 -2.049 0.50 13.90 -0.359 N +ATOM 4763 NE2BHIS A 670 3.986 -27.791 -7.885 0.00 13.52 -0.359 N +ATOM 4764 H HIS A 670 5.470 -24.445 -6.843 1.00 10.69 0.292 HD +ATOM 4765 HE2AHIS A 670 1.596 -25.646 -1.052 0.50 0.00 0.166 HD +ATOM 4766 HE2BHIS A 670 4.448 -28.551 -8.364 0.00 0.00 0.166 HD +ATOM 4767 N VAL A 671 3.745 -21.980 -4.098 1.00 11.42 -0.351 N +ATOM 4768 CA VAL A 671 4.173 -21.076 -3.039 1.00 11.66 0.179 C +ATOM 4769 C VAL A 671 3.261 -21.300 -1.827 1.00 11.84 0.241 C +ATOM 4770 O VAL A 671 2.078 -21.599 -1.981 1.00 12.86 -0.271 OA +ATOM 4771 CB VAL A 671 4.083 -19.604 -3.525 1.00 12.08 0.009 C +ATOM 4772 CG1 VAL A 671 4.818 -18.665 -2.556 1.00 12.00 0.012 C +ATOM 4773 CG2 VAL A 671 4.645 -19.399 -4.940 1.00 14.56 0.012 C +ATOM 4774 H VAL A 671 2.827 -21.810 -4.492 1.00 11.42 0.163 HD +ATOM 4775 N ASN A 672 3.821 -21.112 -0.627 1.00 11.18 -0.346 N +ATOM 4776 CA ASN A 672 3.142 -21.122 0.662 1.00 12.34 0.185 C +ATOM 4777 C ASN A 672 3.694 -19.957 1.486 1.00 10.76 0.241 C +ATOM 4778 O ASN A 672 4.906 -19.765 1.499 1.00 11.24 -0.271 OA +ATOM 4779 CB ASN A 672 3.321 -22.511 1.320 1.00 13.43 0.137 C +ATOM 4780 CG ASN A 672 2.726 -22.612 2.729 1.00 21.86 0.217 C +ATOM 4781 ND2 ASN A 672 1.449 -22.975 2.838 1.00 22.14 -0.370 N +ATOM 4782 OD1 ASN A 672 3.421 -22.367 3.713 1.00 27.66 -0.274 OA +ATOM 4783 H ASN A 672 4.806 -20.880 -0.606 1.00 11.18 0.163 HD +ATOM 4784 1HD2 ASN A 672 0.901 -23.173 2.014 1.00 22.14 0.159 HD +ATOM 4785 2HD2 ASN A 672 1.030 -23.025 3.758 1.00 22.14 0.159 HD +ATOM 4786 N GLN A 673 2.819 -19.240 2.211 1.00 10.51 -0.346 N +ATOM 4787 CA GLN A 673 3.166 -18.216 3.195 1.00 11.00 0.177 C +ATOM 4788 C GLN A 673 2.700 -18.635 4.598 1.00 12.12 0.241 C +ATOM 4789 O GLN A 673 1.675 -19.302 4.753 1.00 11.83 -0.271 OA +ATOM 4790 CB GLN A 673 2.632 -16.831 2.781 1.00 11.07 0.044 C +ATOM 4791 CG GLN A 673 1.098 -16.694 2.711 1.00 9.78 0.105 C +ATOM 4792 CD GLN A 673 0.666 -15.234 2.587 1.00 11.85 0.215 C +ATOM 4793 NE2 GLN A 673 -0.114 -14.917 1.556 1.00 10.97 -0.370 N +ATOM 4794 OE1 GLN A 673 1.020 -14.400 3.416 1.00 10.80 -0.274 OA +ATOM 4795 H GLN A 673 1.839 -19.491 2.149 1.00 10.51 0.163 HD +ATOM 4796 1HE2 GLN A 673 -0.417 -15.639 0.914 1.00 10.97 0.159 HD +ATOM 4797 2HE2 GLN A 673 -0.409 -13.956 1.421 1.00 10.97 0.159 HD +ATOM 4798 N TYR A 674 3.476 -18.232 5.614 1.00 12.19 -0.346 N +ATOM 4799 CA TYR A 674 3.285 -18.551 7.023 1.00 13.05 0.180 C +ATOM 4800 C TYR A 674 3.968 -17.486 7.886 1.00 11.44 0.241 C +ATOM 4801 O TYR A 674 5.192 -17.409 7.886 1.00 12.29 -0.271 OA +ATOM 4802 CB TYR A 674 3.820 -19.976 7.305 1.00 14.75 0.073 C +ATOM 4803 CG TYR A 674 3.933 -20.346 8.775 1.00 17.92 -0.056 A +ATOM 4804 CD1 TYR A 674 2.772 -20.579 9.539 1.00 19.67 0.010 A +ATOM 4805 CD2 TYR A 674 5.202 -20.429 9.389 1.00 18.59 0.010 A +ATOM 4806 CE1 TYR A 674 2.878 -20.894 10.907 1.00 22.12 0.037 A +ATOM 4807 CE2 TYR A 674 5.307 -20.749 10.756 1.00 22.39 0.037 A +ATOM 4808 CZ TYR A 674 4.143 -20.982 11.517 1.00 21.66 0.065 A +ATOM 4809 OH TYR A 674 4.235 -21.299 12.841 1.00 23.91 -0.361 OA +ATOM 4810 H TYR A 674 4.305 -17.701 5.384 1.00 12.19 0.163 HD +ATOM 4811 HH TYR A 674 5.125 -21.417 13.133 1.00 23.91 0.217 HD +ATOM 4812 N THR A 675 3.203 -16.727 8.682 1.00 10.53 -0.344 N +ATOM 4813 CA THR A 675 3.738 -15.914 9.777 1.00 10.46 0.205 C +ATOM 4814 C THR A 675 3.453 -16.705 11.064 1.00 10.95 0.243 C +ATOM 4815 O THR A 675 2.343 -17.202 11.255 1.00 12.86 -0.271 OA +ATOM 4816 CB THR A 675 3.005 -14.551 9.829 1.00 10.82 0.146 C +ATOM 4817 CG2 THR A 675 3.548 -13.612 10.923 1.00 10.05 0.042 C +ATOM 4818 OG1 THR A 675 3.165 -13.868 8.601 1.00 12.34 -0.393 OA +ATOM 4819 H THR A 675 2.199 -16.840 8.638 1.00 10.53 0.163 HD +ATOM 4820 HG1 THR A 675 4.091 -13.791 8.422 1.00 12.34 0.210 HD +ATOM 4821 N LYS A 676 4.449 -16.798 11.959 1.00 12.18 -0.346 N +ATOM 4822 CA LYS A 676 4.340 -17.466 13.256 1.00 13.56 0.176 C +ATOM 4823 C LYS A 676 3.445 -16.644 14.206 1.00 14.25 0.243 C +ATOM 4824 O LYS A 676 3.658 -15.435 14.299 1.00 13.94 -0.271 OA +ATOM 4825 CB LYS A 676 5.743 -17.561 13.899 1.00 13.98 0.035 C +ATOM 4826 CG LYS A 676 6.641 -18.627 13.258 1.00 18.48 0.004 C +ATOM 4827 CD LYS A 676 8.038 -18.692 13.891 1.00 21.34 0.027 C +ATOM 4828 CE LYS A 676 8.837 -19.907 13.406 1.00 25.92 0.229 C +ATOM 4829 NZ LYS A 676 10.179 -19.946 14.009 1.00 29.14 -0.079 N +ATOM 4830 H LYS A 676 5.328 -16.339 11.753 1.00 12.18 0.163 HD +ATOM 4831 HZ1 LYS A 676 10.126 -19.827 15.013 1.00 29.14 0.274 HD +ATOM 4832 HZ2 LYS A 676 10.625 -20.826 13.791 1.00 29.14 0.274 HD +ATOM 4833 HZ3 LYS A 676 10.737 -19.198 13.616 1.00 29.14 0.274 HD +ATOM 4834 N PRO A 677 2.488 -17.262 14.938 1.00 15.70 -0.337 N +ATOM 4835 CA PRO A 677 1.745 -16.638 16.049 1.00 15.62 0.179 C +ATOM 4836 C PRO A 677 2.656 -15.945 17.076 1.00 15.33 0.241 C +ATOM 4837 O PRO A 677 3.745 -16.440 17.370 1.00 14.72 -0.271 OA +ATOM 4838 CB PRO A 677 0.997 -17.795 16.725 1.00 16.09 0.037 C +ATOM 4839 CG PRO A 677 0.803 -18.816 15.621 1.00 18.29 0.022 C +ATOM 4840 CD PRO A 677 2.017 -18.630 14.712 1.00 17.01 0.127 C +ATOM 4841 N ASP A 678 2.204 -14.807 17.614 1.00 15.39 -0.346 N +ATOM 4842 CA ASP A 678 2.943 -13.994 18.578 1.00 16.41 0.186 C +ATOM 4843 C ASP A 678 1.971 -13.359 19.585 1.00 17.56 0.241 C +ATOM 4844 O ASP A 678 0.809 -13.761 19.675 1.00 17.79 -0.271 OA +ATOM 4845 CB ASP A 678 3.920 -13.046 17.832 1.00 15.67 0.147 C +ATOM 4846 CG ASP A 678 3.301 -11.952 16.955 1.00 17.56 0.175 C +ATOM 4847 OD1 ASP A 678 2.131 -11.574 17.183 1.00 16.97 -0.648 OA +ATOM 4848 OD2 ASP A 678 4.012 -11.507 16.029 1.00 17.13 -0.648 OA +ATOM 4849 H ASP A 678 1.280 -14.479 17.359 1.00 15.39 0.163 HD +ATOM 4850 N GLU A 679 2.455 -12.378 20.360 1.00 19.64 -0.346 N +ATOM 4851 CA GLU A 679 1.702 -11.708 21.422 1.00 22.30 0.177 C +ATOM 4852 C GLU A 679 0.693 -10.667 20.896 1.00 23.20 0.241 C +ATOM 4853 O GLU A 679 -0.185 -10.256 21.653 1.00 24.60 -0.271 OA +ATOM 4854 CB GLU A 679 2.704 -10.987 22.354 1.00 23.73 0.045 C +ATOM 4855 CG GLU A 679 3.775 -11.900 22.993 1.00 28.54 0.116 C +ATOM 4856 CD GLU A 679 3.198 -13.024 23.857 1.00 34.78 0.172 C +ATOM 4857 OE1 GLU A 679 2.285 -12.725 24.658 1.00 37.54 -0.648 OA +ATOM 4858 OE2 GLU A 679 3.703 -14.159 23.720 1.00 38.08 -0.648 OA +ATOM 4859 H GLU A 679 3.415 -12.091 20.227 1.00 19.64 0.163 HD +ATOM 4860 N ASN A 680 0.797 -10.250 19.622 1.00 22.52 -0.346 N +ATOM 4861 CA ASN A 680 -0.077 -9.253 18.997 1.00 23.84 0.185 C +ATOM 4862 C ASN A 680 -1.241 -9.918 18.243 1.00 25.00 0.241 C +ATOM 4863 O ASN A 680 -2.339 -9.362 18.233 1.00 26.39 -0.271 OA +ATOM 4864 CB ASN A 680 0.737 -8.434 17.975 1.00 22.85 0.137 C +ATOM 4865 CG ASN A 680 1.866 -7.630 18.628 1.00 22.91 0.217 C +ATOM 4866 ND2 ASN A 680 3.115 -7.955 18.295 1.00 22.99 -0.370 N +ATOM 4867 OD1 ASN A 680 1.612 -6.746 19.443 1.00 24.05 -0.274 OA +ATOM 4868 H ASN A 680 1.524 -10.655 19.045 1.00 22.52 0.163 HD +ATOM 4869 1HD2 ASN A 680 3.277 -8.680 17.609 1.00 22.99 0.159 HD +ATOM 4870 2HD2 ASN A 680 3.898 -7.477 18.725 1.00 22.99 0.159 HD +ATOM 4871 N GLN A 681 -1.017 -11.096 17.633 1.00 25.86 -0.346 N +ATOM 4872 CA GLN A 681 -2.043 -11.924 16.999 1.00 27.06 0.177 C +ATOM 4873 C GLN A 681 -1.771 -13.398 17.301 1.00 28.27 0.241 C +ATOM 4874 O GLN A 681 -0.686 -13.898 17.000 1.00 28.34 -0.271 OA +ATOM 4875 CB GLN A 681 -2.144 -11.696 15.472 1.00 25.77 0.044 C +ATOM 4876 CG GLN A 681 -2.697 -10.336 14.997 1.00 24.99 0.105 C +ATOM 4877 CD GLN A 681 -1.642 -9.234 14.872 1.00 21.35 0.215 C +ATOM 4878 NE2 GLN A 681 -2.039 -7.990 15.124 1.00 20.27 -0.370 N +ATOM 4879 OE1 GLN A 681 -0.484 -9.490 14.554 1.00 17.89 -0.274 OA +ATOM 4880 H GLN A 681 -0.081 -11.481 17.675 1.00 25.86 0.163 HD +ATOM 4881 1HE2 GLN A 681 -3.000 -7.808 15.383 1.00 20.27 0.159 HD +ATOM 4882 2HE2 GLN A 681 -1.377 -7.229 15.064 1.00 20.27 0.159 HD +ATOM 4883 N LYS A 682 -2.792 -14.109 17.808 1.00 30.44 -0.346 N +ATOM 4884 CA LYS A 682 -2.810 -15.567 17.914 1.00 31.70 0.176 C +ATOM 4885 C LYS A 682 -2.996 -16.167 16.508 1.00 30.84 0.241 C +ATOM 4886 O LYS A 682 -2.204 -17.016 16.103 1.00 30.69 -0.271 OA +ATOM 4887 CB LYS A 682 -3.988 -15.996 18.820 1.00 33.60 0.035 C +ATOM 4888 CG LYS A 682 -4.097 -17.522 19.044 1.00 37.00 0.004 C +ATOM 4889 CD LYS A 682 -5.546 -17.996 19.227 1.00 41.93 0.027 C +ATOM 4890 CE LYS A 682 -5.670 -19.525 19.176 1.00 42.97 0.229 C +ATOM 4891 NZ LYS A 682 -7.077 -19.952 19.254 1.00 46.08 -0.079 N +ATOM 4892 H LYS A 682 -3.644 -13.619 18.042 1.00 30.44 0.163 HD +ATOM 4893 HZ1 LYS A 682 -7.587 -19.577 18.467 1.00 46.08 0.274 HD +ATOM 4894 HZ2 LYS A 682 -7.127 -20.960 19.237 1.00 46.08 0.274 HD +ATOM 4895 HZ3 LYS A 682 -7.487 -19.611 20.112 1.00 46.08 0.274 HD +ATOM 4896 N GLU A 683 -4.025 -15.717 15.770 1.00 30.56 -0.346 N +ATOM 4897 CA GLU A 683 -4.282 -16.128 14.396 1.00 29.89 0.177 C +ATOM 4898 C GLU A 683 -3.686 -15.074 13.456 1.00 26.88 0.241 C +ATOM 4899 O GLU A 683 -4.150 -13.934 13.418 1.00 27.20 -0.271 OA +ATOM 4900 CB GLU A 683 -5.804 -16.253 14.170 1.00 30.67 0.045 C +ATOM 4901 CG GLU A 683 -6.175 -16.693 12.734 1.00 33.12 0.116 C +ATOM 4902 CD GLU A 683 -7.674 -16.910 12.527 1.00 34.24 0.172 C +ATOM 4903 OE1 GLU A 683 -8.328 -17.408 13.469 1.00 38.82 -0.648 OA +ATOM 4904 OE2 GLU A 683 -8.139 -16.581 11.414 1.00 39.91 -0.648 OA +ATOM 4905 H GLU A 683 -4.632 -15.012 16.162 1.00 30.56 0.163 HD +ATOM 4906 N LYS A 684 -2.669 -15.483 12.687 1.00 23.58 -0.346 N +ATOM 4907 CA LYS A 684 -2.070 -14.698 11.616 1.00 20.52 0.176 C +ATOM 4908 C LYS A 684 -2.783 -15.058 10.310 1.00 20.01 0.241 C +ATOM 4909 O LYS A 684 -2.999 -16.234 10.012 1.00 20.19 -0.271 OA +ATOM 4910 CB LYS A 684 -0.589 -15.096 11.470 1.00 19.01 0.035 C +ATOM 4911 CG LYS A 684 0.275 -14.747 12.693 1.00 16.29 0.004 C +ATOM 4912 CD LYS A 684 0.471 -13.240 12.895 1.00 11.90 0.027 C +ATOM 4913 CE LYS A 684 1.350 -12.942 14.111 1.00 11.87 0.229 C +ATOM 4914 NZ LYS A 684 1.480 -11.501 14.335 1.00 14.02 -0.079 N +ATOM 4915 H LYS A 684 -2.362 -16.442 12.776 1.00 23.58 0.163 HD +ATOM 4916 HZ1 LYS A 684 0.573 -11.063 14.420 1.00 14.02 0.274 HD +ATOM 4917 HZ2 LYS A 684 1.993 -11.354 15.198 1.00 14.02 0.274 HD +ATOM 4918 HZ3 LYS A 684 1.994 -11.078 13.572 1.00 14.02 0.274 HD +ATOM 4919 N LYS A 685 -3.143 -14.026 9.540 1.00 17.58 -0.346 N +ATOM 4920 CA LYS A 685 -3.848 -14.133 8.269 1.00 16.47 0.176 C +ATOM 4921 C LYS A 685 -2.850 -14.003 7.104 1.00 16.32 0.243 C +ATOM 4922 O LYS A 685 -1.814 -13.350 7.261 1.00 15.07 -0.271 OA +ATOM 4923 CB LYS A 685 -4.866 -12.975 8.207 1.00 17.05 0.035 C +ATOM 4924 CG LYS A 685 -6.006 -13.173 9.220 1.00 19.65 0.004 C +ATOM 4925 CD LYS A 685 -7.119 -12.127 9.105 1.00 26.06 0.027 C +ATOM 4926 CE LYS A 685 -8.249 -12.407 10.107 1.00 30.45 0.229 C +ATOM 4927 NZ LYS A 685 -9.349 -11.440 9.965 1.00 34.97 -0.079 N +ATOM 4928 H LYS A 685 -2.896 -13.092 9.842 1.00 17.58 0.163 HD +ATOM 4929 HZ1 LYS A 685 -9.000 -10.506 10.127 1.00 34.97 0.274 HD +ATOM 4930 HZ2 LYS A 685 -9.733 -11.500 9.033 1.00 34.97 0.274 HD +ATOM 4931 HZ3 LYS A 685 -10.070 -11.652 10.640 1.00 34.97 0.274 HD +ATOM 4932 N PRO A 686 -3.148 -14.588 5.920 1.00 15.87 -0.337 N +ATOM 4933 CA PRO A 686 -2.315 -14.434 4.724 1.00 15.94 0.179 C +ATOM 4934 C PRO A 686 -2.369 -12.996 4.185 1.00 15.18 0.241 C +ATOM 4935 O PRO A 686 -3.423 -12.362 4.173 1.00 15.09 -0.271 OA +ATOM 4936 CB PRO A 686 -2.851 -15.464 3.722 1.00 16.90 0.037 C +ATOM 4937 CG PRO A 686 -4.284 -15.729 4.148 1.00 19.18 0.022 C +ATOM 4938 CD PRO A 686 -4.308 -15.441 5.650 1.00 17.53 0.127 C +ATOM 4939 N LEU A 687 -1.201 -12.488 3.781 1.00 14.08 -0.346 N +ATOM 4940 CA LEU A 687 -0.985 -11.132 3.292 1.00 13.49 0.177 C +ATOM 4941 C LEU A 687 -0.959 -11.126 1.757 1.00 12.40 0.241 C +ATOM 4942 O LEU A 687 -0.809 -12.168 1.118 1.00 13.03 -0.271 OA +ATOM 4943 CB LEU A 687 0.400 -10.662 3.793 1.00 13.31 0.038 C +ATOM 4944 CG LEU A 687 0.583 -10.673 5.325 1.00 16.27 -0.020 C +ATOM 4945 CD1 LEU A 687 1.988 -10.195 5.678 1.00 20.54 0.009 C +ATOM 4946 CD2 LEU A 687 -0.450 -9.813 6.064 1.00 15.43 0.009 C +ATOM 4947 H LEU A 687 -0.389 -13.091 3.811 1.00 14.08 0.163 HD +ATOM 4948 N PHE A 688 -1.063 -9.925 1.169 1.00 12.49 -0.346 N +ATOM 4949 CA PHE A 688 -0.819 -9.674 -0.249 1.00 12.32 0.180 C +ATOM 4950 C PHE A 688 0.704 -9.517 -0.402 1.00 11.64 0.241 C +ATOM 4951 O PHE A 688 1.254 -8.448 -0.143 1.00 9.95 -0.271 OA +ATOM 4952 CB PHE A 688 -1.565 -8.375 -0.645 1.00 12.77 0.073 C +ATOM 4953 CG PHE A 688 -1.685 -8.024 -2.129 1.00 15.33 -0.056 A +ATOM 4954 CD1 PHE A 688 -2.812 -7.288 -2.556 1.00 21.98 0.007 A +ATOM 4955 CD2 PHE A 688 -0.709 -8.387 -3.090 1.00 17.46 0.007 A +ATOM 4956 CE1 PHE A 688 -2.962 -6.921 -3.908 1.00 21.31 0.001 A +ATOM 4957 CE2 PHE A 688 -0.854 -8.014 -4.439 1.00 17.85 0.001 A +ATOM 4958 CZ PHE A 688 -1.981 -7.281 -4.850 1.00 18.65 0.000 A +ATOM 4959 H PHE A 688 -1.183 -9.116 1.768 1.00 12.49 0.163 HD +ATOM 4960 N ILE A 689 1.372 -10.598 -0.830 1.00 11.19 -0.346 N +ATOM 4961 CA ILE A 689 2.813 -10.672 -1.048 1.00 10.70 0.180 C +ATOM 4962 C ILE A 689 3.052 -10.647 -2.576 1.00 10.94 0.243 C +ATOM 4963 O ILE A 689 2.763 -11.643 -3.242 1.00 10.87 -0.271 OA +ATOM 4964 CB ILE A 689 3.363 -11.986 -0.410 1.00 10.22 0.013 C +ATOM 4965 CG1 ILE A 689 3.062 -12.040 1.110 1.00 10.88 0.002 C +ATOM 4966 CG2 ILE A 689 4.876 -12.163 -0.664 1.00 10.94 0.012 C +ATOM 4967 CD1 ILE A 689 3.615 -13.262 1.851 1.00 10.56 0.005 C +ATOM 4968 H ILE A 689 0.836 -11.433 -1.037 1.00 11.19 0.163 HD +ATOM 4969 N PRO A 690 3.610 -9.554 -3.145 1.00 11.22 -0.337 N +ATOM 4970 CA PRO A 690 4.088 -9.524 -4.531 1.00 9.99 0.179 C +ATOM 4971 C PRO A 690 5.474 -10.191 -4.606 1.00 9.95 0.241 C +ATOM 4972 O PRO A 690 6.391 -9.815 -3.875 1.00 10.47 -0.271 OA +ATOM 4973 CB PRO A 690 4.173 -8.031 -4.873 1.00 10.57 0.037 C +ATOM 4974 CG PRO A 690 4.451 -7.347 -3.544 1.00 9.82 0.022 C +ATOM 4975 CD PRO A 690 3.787 -8.250 -2.505 1.00 11.13 0.127 C +ATOM 4976 N ILE A 691 5.609 -11.194 -5.484 1.00 9.32 -0.346 N +ATOM 4977 CA ILE A 691 6.823 -11.978 -5.687 1.00 9.07 0.180 C +ATOM 4978 C ILE A 691 7.278 -11.691 -7.120 1.00 8.02 0.241 C +ATOM 4979 O ILE A 691 6.731 -12.251 -8.068 1.00 9.07 -0.271 OA +ATOM 4980 CB ILE A 691 6.557 -13.494 -5.452 1.00 9.65 0.013 C +ATOM 4981 CG1 ILE A 691 5.724 -13.758 -4.175 1.00 9.82 0.002 C +ATOM 4982 CG2 ILE A 691 7.883 -14.284 -5.442 1.00 9.08 0.012 C +ATOM 4983 CD1 ILE A 691 5.396 -15.229 -3.912 1.00 11.18 0.005 C +ATOM 4984 H ILE A 691 4.795 -11.470 -6.019 1.00 9.32 0.163 HD +ATOM 4985 N SER A 692 8.285 -10.820 -7.277 1.00 8.80 -0.344 N +ATOM 4986 CA SER A 692 8.898 -10.494 -8.562 1.00 9.09 0.200 C +ATOM 4987 C SER A 692 9.781 -11.680 -8.972 1.00 9.23 0.243 C +ATOM 4988 O SER A 692 10.701 -12.038 -8.239 1.00 8.09 -0.271 OA +ATOM 4989 CB SER A 692 9.771 -9.239 -8.394 1.00 9.94 0.199 C +ATOM 4990 OG SER A 692 8.962 -8.095 -8.214 1.00 17.07 -0.398 OA +ATOM 4991 H SER A 692 8.690 -10.403 -6.449 1.00 8.80 0.163 HD +ATOM 4992 HG SER A 692 8.413 -8.231 -7.457 1.00 17.07 0.209 HD +ATOM 4993 N VAL A 693 9.467 -12.310 -10.114 1.00 9.52 -0.346 N +ATOM 4994 CA VAL A 693 10.089 -13.550 -10.572 1.00 10.73 0.180 C +ATOM 4995 C VAL A 693 10.670 -13.413 -11.979 1.00 10.21 0.241 C +ATOM 4996 O VAL A 693 10.060 -12.813 -12.865 1.00 10.95 -0.271 OA +ATOM 4997 CB VAL A 693 9.138 -14.772 -10.443 1.00 12.22 0.009 C +ATOM 4998 CG1 VAL A 693 8.740 -15.063 -8.989 1.00 14.05 0.012 C +ATOM 4999 CG2 VAL A 693 7.891 -14.689 -11.342 1.00 14.99 0.012 C +ATOM 5000 H VAL A 693 8.697 -11.952 -10.666 1.00 9.52 0.163 HD +ATOM 5001 N GLY A 694 11.827 -14.055 -12.167 1.00 10.35 -0.351 N +ATOM 5002 CA GLY A 694 12.384 -14.453 -13.448 1.00 10.65 0.225 C +ATOM 5003 C GLY A 694 12.587 -15.969 -13.457 1.00 10.31 0.236 C +ATOM 5004 O GLY A 694 12.600 -16.613 -12.407 1.00 10.21 -0.272 OA +ATOM 5005 H GLY A 694 12.252 -14.482 -11.354 1.00 10.35 0.163 HD +ATOM 5006 N LEU A 695 12.772 -16.530 -14.656 1.00 10.21 -0.346 N +ATOM 5007 CA LEU A 695 13.142 -17.919 -14.890 1.00 11.20 0.177 C +ATOM 5008 C LEU A 695 14.437 -17.891 -15.701 1.00 11.10 0.241 C +ATOM 5009 O LEU A 695 14.437 -17.446 -16.847 1.00 11.09 -0.271 OA +ATOM 5010 CB LEU A 695 12.006 -18.648 -15.642 1.00 12.06 0.038 C +ATOM 5011 CG LEU A 695 10.680 -18.802 -14.866 1.00 12.92 -0.020 C +ATOM 5012 CD1 LEU A 695 9.620 -19.500 -15.731 1.00 13.55 0.009 C +ATOM 5013 CD2 LEU A 695 10.846 -19.551 -13.538 1.00 10.27 0.009 C +ATOM 5014 H LEU A 695 12.758 -15.924 -15.469 1.00 10.21 0.163 HD +ATOM 5015 N ILE A 696 15.542 -18.348 -15.097 1.00 10.12 -0.346 N +ATOM 5016 CA ILE A 696 16.856 -18.421 -15.726 1.00 11.34 0.180 C +ATOM 5017 C ILE A 696 17.001 -19.814 -16.347 1.00 11.90 0.241 C +ATOM 5018 O ILE A 696 16.819 -20.825 -15.670 1.00 11.84 -0.271 OA +ATOM 5019 CB ILE A 696 17.956 -18.176 -14.648 1.00 11.41 0.013 C +ATOM 5020 CG1 ILE A 696 17.881 -16.746 -14.061 1.00 11.91 0.002 C +ATOM 5021 CG2 ILE A 696 19.391 -18.479 -15.132 1.00 14.28 0.012 C +ATOM 5022 CD1 ILE A 696 18.121 -15.621 -15.080 1.00 17.01 0.005 C +ATOM 5023 H ILE A 696 15.467 -18.709 -14.155 1.00 10.12 0.163 HD +ATOM 5024 N ASN A 697 17.389 -19.848 -17.629 1.00 11.90 -0.346 N +ATOM 5025 CA ASN A 697 17.787 -21.047 -18.360 1.00 13.23 0.185 C +ATOM 5026 C ASN A 697 19.182 -21.441 -17.828 1.00 13.93 0.243 C +ATOM 5027 O ASN A 697 20.097 -20.621 -17.904 1.00 14.45 -0.271 OA +ATOM 5028 CB ASN A 697 17.882 -20.659 -19.855 1.00 12.38 0.137 C +ATOM 5029 CG ASN A 697 18.052 -21.846 -20.812 1.00 15.51 0.217 C +ATOM 5030 ND2 ASN A 697 17.271 -21.876 -21.893 1.00 12.90 -0.370 N +ATOM 5031 OD1 ASN A 697 18.861 -22.739 -20.576 1.00 16.60 -0.274 OA +ATOM 5032 H ASN A 697 17.507 -18.963 -18.107 1.00 11.90 0.163 HD +ATOM 5033 1HD2 ASN A 697 16.605 -21.135 -22.057 1.00 12.90 0.159 HD +ATOM 5034 2HD2 ASN A 697 17.343 -22.651 -22.536 1.00 12.90 0.159 HD +ATOM 5035 N PRO A 698 19.379 -22.666 -17.295 1.00 15.37 -0.337 N +ATOM 5036 CA PRO A 698 20.662 -23.081 -16.714 1.00 17.09 0.179 C +ATOM 5037 C PRO A 698 21.759 -23.389 -17.753 1.00 19.32 0.241 C +ATOM 5038 O PRO A 698 22.927 -23.474 -17.380 1.00 19.89 -0.271 OA +ATOM 5039 CB PRO A 698 20.319 -24.323 -15.882 1.00 16.73 0.037 C +ATOM 5040 CG PRO A 698 19.106 -24.922 -16.570 1.00 18.05 0.022 C +ATOM 5041 CD PRO A 698 18.373 -23.720 -17.164 1.00 15.45 0.127 C +ATOM 5042 N GLU A 699 21.406 -23.528 -19.042 1.00 20.38 -0.346 N +ATOM 5043 CA GLU A 699 22.332 -23.873 -20.120 1.00 22.66 0.177 C +ATOM 5044 C GLU A 699 23.028 -22.643 -20.733 1.00 22.39 0.241 C +ATOM 5045 O GLU A 699 24.082 -22.811 -21.344 1.00 24.66 -0.271 OA +ATOM 5046 CB GLU A 699 21.548 -24.584 -21.252 1.00 23.69 0.045 C +ATOM 5047 CG GLU A 699 20.699 -25.796 -20.803 1.00 28.41 0.116 C +ATOM 5048 CD GLU A 699 21.498 -26.894 -20.092 1.00 34.74 0.172 C +ATOM 5049 OE1 GLU A 699 22.679 -27.086 -20.461 1.00 36.52 -0.648 OA +ATOM 5050 OE2 GLU A 699 20.904 -27.523 -19.189 1.00 36.00 -0.648 OA +ATOM 5051 H GLU A 699 20.431 -23.433 -19.291 1.00 20.38 0.163 HD +ATOM 5052 N ASN A 700 22.469 -21.429 -20.577 1.00 20.78 -0.346 N +ATOM 5053 CA ASN A 700 23.003 -20.185 -21.153 1.00 19.83 0.185 C +ATOM 5054 C ASN A 700 22.888 -18.940 -20.258 1.00 19.48 0.241 C +ATOM 5055 O ASN A 700 23.413 -17.886 -20.621 1.00 19.69 -0.271 OA +ATOM 5056 CB ASN A 700 22.527 -19.960 -22.612 1.00 19.73 0.137 C +ATOM 5057 CG ASN A 700 21.006 -19.868 -22.791 1.00 19.96 0.217 C +ATOM 5058 ND2 ASN A 700 20.516 -20.157 -23.996 1.00 17.30 -0.370 N +ATOM 5059 OD1 ASN A 700 20.278 -19.549 -21.857 1.00 16.68 -0.274 OA +ATOM 5060 H ASN A 700 21.596 -21.372 -20.073 1.00 20.78 0.163 HD +ATOM 5061 1HD2 ASN A 700 21.137 -20.427 -24.745 1.00 17.30 0.159 HD +ATOM 5062 2HD2 ASN A 700 19.519 -20.122 -24.150 1.00 17.30 0.159 HD +ATOM 5063 N GLY A 701 22.199 -19.041 -19.111 1.00 18.29 -0.351 N +ATOM 5064 CA GLY A 701 21.992 -17.958 -18.155 1.00 18.02 0.225 C +ATOM 5065 C GLY A 701 20.929 -16.919 -18.552 1.00 17.99 0.236 C +ATOM 5066 O GLY A 701 20.787 -15.926 -17.842 1.00 18.78 -0.272 OA +ATOM 5067 H GLY A 701 21.778 -19.930 -18.879 1.00 18.29 0.163 HD +ATOM 5068 N LYS A 702 20.209 -17.116 -19.672 1.00 18.45 -0.346 N +ATOM 5069 CA LYS A 702 19.253 -16.160 -20.242 1.00 18.21 0.176 C +ATOM 5070 C LYS A 702 17.897 -16.194 -19.521 1.00 17.14 0.241 C +ATOM 5071 O LYS A 702 17.507 -17.211 -18.948 1.00 16.29 -0.271 OA +ATOM 5072 CB LYS A 702 18.982 -16.536 -21.718 1.00 19.51 0.035 C +ATOM 5073 CG LYS A 702 20.159 -16.278 -22.675 1.00 24.74 0.004 C +ATOM 5074 CD LYS A 702 20.323 -14.793 -23.045 1.00 30.76 0.027 C +ATOM 5075 CE LYS A 702 21.346 -14.553 -24.165 1.00 35.18 0.229 C +ATOM 5076 NZ LYS A 702 22.719 -14.836 -23.716 1.00 36.31 -0.079 N +ATOM 5077 H LYS A 702 20.373 -17.965 -20.196 1.00 18.45 0.163 HD +ATOM 5078 HZ1 LYS A 702 22.790 -15.803 -23.434 1.00 36.31 0.274 HD +ATOM 5079 HZ2 LYS A 702 23.368 -14.657 -24.469 1.00 36.31 0.274 HD +ATOM 5080 HZ3 LYS A 702 22.945 -14.243 -22.930 1.00 36.31 0.274 HD +ATOM 5081 N GLU A 703 17.161 -15.076 -19.626 1.00 17.05 -0.346 N +ATOM 5082 CA GLU A 703 15.783 -14.900 -19.174 1.00 16.83 0.177 C +ATOM 5083 C GLU A 703 14.836 -15.670 -20.112 1.00 17.11 0.241 C +ATOM 5084 O GLU A 703 14.901 -15.498 -21.330 1.00 18.12 -0.271 OA +ATOM 5085 CB GLU A 703 15.427 -13.394 -19.253 1.00 17.49 0.045 C +ATOM 5086 CG GLU A 703 16.332 -12.451 -18.430 1.00 19.28 0.116 C +ATOM 5087 CD GLU A 703 16.289 -12.719 -16.928 1.00 22.92 0.172 C +ATOM 5088 OE1 GLU A 703 15.171 -12.907 -16.403 1.00 22.55 -0.648 OA +ATOM 5089 OE2 GLU A 703 17.375 -12.725 -16.311 1.00 23.58 -0.648 OA +ATOM 5090 H GLU A 703 17.563 -14.301 -20.139 1.00 17.05 0.163 HD +ATOM 5091 N MET A 704 13.972 -16.521 -19.541 1.00 15.43 -0.346 N +ATOM 5092 CA MET A 704 13.024 -17.367 -20.273 1.00 16.16 0.177 C +ATOM 5093 C MET A 704 11.605 -16.772 -20.302 1.00 17.42 0.241 C +ATOM 5094 O MET A 704 10.791 -17.210 -21.114 1.00 18.07 -0.271 OA +ATOM 5095 CB MET A 704 12.946 -18.742 -19.581 1.00 15.39 0.045 C +ATOM 5096 CG MET A 704 14.269 -19.517 -19.641 1.00 15.79 0.076 C +ATOM 5097 SD MET A 704 14.170 -21.224 -19.044 1.00 15.34 -0.173 SA +ATOM 5098 CE MET A 704 13.279 -21.979 -20.428 1.00 15.03 0.089 C +ATOM 5099 H MET A 704 14.003 -16.629 -18.535 1.00 15.43 0.163 HD +ATOM 5100 N ILE A 705 11.317 -15.773 -19.451 1.00 17.68 -0.346 N +ATOM 5101 CA ILE A 705 10.065 -15.017 -19.395 1.00 18.27 0.180 C +ATOM 5102 C ILE A 705 10.359 -13.516 -19.274 1.00 19.64 0.241 C +ATOM 5103 O ILE A 705 11.436 -13.111 -18.832 1.00 18.36 -0.271 OA +ATOM 5104 CB ILE A 705 9.096 -15.557 -18.298 1.00 18.62 0.013 C +ATOM 5105 CG1 ILE A 705 9.680 -15.483 -16.865 1.00 18.28 0.002 C +ATOM 5106 CG2 ILE A 705 8.574 -16.966 -18.642 1.00 16.95 0.012 C +ATOM 5107 CD1 ILE A 705 8.647 -15.693 -15.748 1.00 16.74 0.005 C +ATOM 5108 H ILE A 705 12.049 -15.471 -18.823 1.00 17.68 0.163 HD +ATOM 5109 N SER A 706 9.358 -12.693 -19.619 1.00 21.45 -0.344 N +ATOM 5110 CA SER A 706 9.320 -11.253 -19.369 1.00 23.07 0.200 C +ATOM 5111 C SER A 706 9.060 -10.975 -17.875 1.00 23.50 0.243 C +ATOM 5112 O SER A 706 8.760 -11.896 -17.109 1.00 21.18 -0.271 OA +ATOM 5113 CB SER A 706 8.165 -10.655 -20.201 1.00 23.99 0.199 C +ATOM 5114 OG SER A 706 8.530 -10.590 -21.565 1.00 29.46 -0.398 OA +ATOM 5115 H SER A 706 8.513 -13.111 -19.988 1.00 21.45 0.163 HD +ATOM 5116 HG SER A 706 7.797 -10.248 -22.055 1.00 29.46 0.209 HD +ATOM 5117 N GLN A 707 9.172 -9.697 -17.466 1.00 24.65 -0.346 N +ATOM 5118 CA GLN A 707 8.916 -9.207 -16.108 1.00 25.60 0.177 C +ATOM 5119 C GLN A 707 7.537 -9.649 -15.585 1.00 23.37 0.241 C +ATOM 5120 O GLN A 707 6.515 -9.370 -16.212 1.00 24.83 -0.271 OA +ATOM 5121 CB GLN A 707 9.089 -7.673 -16.063 1.00 26.18 0.044 C +ATOM 5122 CG GLN A 707 8.849 -7.069 -14.660 1.00 28.56 0.105 C +ATOM 5123 CD GLN A 707 9.126 -5.569 -14.564 1.00 29.58 0.215 C +ATOM 5124 NE2 GLN A 707 9.313 -5.079 -13.337 1.00 35.19 -0.370 N +ATOM 5125 OE1 GLN A 707 9.171 -4.861 -15.567 1.00 36.28 -0.274 OA +ATOM 5126 H GLN A 707 9.426 -9.002 -18.153 1.00 24.65 0.163 HD +ATOM 5127 1HE2 GLN A 707 9.247 -5.691 -12.535 1.00 35.19 0.159 HD +ATOM 5128 2HE2 GLN A 707 9.499 -4.095 -13.214 1.00 35.19 0.159 HD +ATOM 5129 N THR A 708 7.542 -10.367 -14.455 1.00 21.49 -0.344 N +ATOM 5130 CA THR A 708 6.377 -11.000 -13.849 1.00 20.01 0.205 C +ATOM 5131 C THR A 708 6.430 -10.757 -12.339 1.00 18.52 0.243 C +ATOM 5132 O THR A 708 7.448 -11.046 -11.712 1.00 17.84 -0.271 OA +ATOM 5133 CB THR A 708 6.351 -12.505 -14.223 1.00 20.71 0.146 C +ATOM 5134 CG2 THR A 708 5.197 -13.280 -13.565 1.00 21.98 0.042 C +ATOM 5135 OG1 THR A 708 6.192 -12.651 -15.620 1.00 21.42 -0.393 OA +ATOM 5136 H THR A 708 8.431 -10.535 -14.006 1.00 21.49 0.163 HD +ATOM 5137 HG1 THR A 708 6.939 -12.252 -16.048 1.00 21.42 0.210 HD +ATOM 5138 N THR A 709 5.318 -10.280 -11.763 1.00 18.10 -0.344 N +ATOM 5139 CA THR A 709 5.094 -10.181 -10.323 1.00 17.90 0.205 C +ATOM 5140 C THR A 709 3.896 -11.085 -10.009 1.00 17.83 0.243 C +ATOM 5141 O THR A 709 2.774 -10.792 -10.427 1.00 18.51 -0.271 OA +ATOM 5142 CB THR A 709 4.838 -8.706 -9.920 1.00 18.56 0.146 C +ATOM 5143 CG2 THR A 709 4.523 -8.521 -8.424 1.00 17.54 0.042 C +ATOM 5144 OG1 THR A 709 5.997 -7.939 -10.175 1.00 19.64 -0.393 OA +ATOM 5145 H THR A 709 4.530 -10.062 -12.356 1.00 18.10 0.163 HD +ATOM 5146 HG1 THR A 709 5.807 -7.035 -9.971 1.00 19.64 0.210 HD +ATOM 5147 N LEU A 710 4.139 -12.177 -9.266 1.00 16.63 -0.346 N +ATOM 5148 CA LEU A 710 3.122 -13.119 -8.808 1.00 16.65 0.177 C +ATOM 5149 C LEU A 710 2.491 -12.535 -7.541 1.00 16.66 0.241 C +ATOM 5150 O LEU A 710 3.179 -12.315 -6.545 1.00 17.52 -0.271 OA +ATOM 5151 CB LEU A 710 3.767 -14.481 -8.441 1.00 16.63 0.038 C +ATOM 5152 CG LEU A 710 4.708 -15.091 -9.496 1.00 17.12 -0.020 C +ATOM 5153 CD1 LEU A 710 5.320 -16.405 -8.984 1.00 17.53 0.009 C +ATOM 5154 CD2 LEU A 710 4.006 -15.297 -10.844 1.00 19.11 0.009 C +ATOM 5155 H LEU A 710 5.087 -12.335 -8.947 1.00 16.63 0.163 HD +ATOM 5156 N GLU A 711 1.179 -12.276 -7.591 1.00 16.31 -0.346 N +ATOM 5157 CA GLU A 711 0.403 -11.732 -6.486 1.00 16.07 0.177 C +ATOM 5158 C GLU A 711 -0.150 -12.919 -5.684 1.00 14.75 0.241 C +ATOM 5159 O GLU A 711 -1.191 -13.483 -6.028 1.00 15.53 -0.271 OA +ATOM 5160 CB GLU A 711 -0.754 -10.885 -7.069 1.00 17.42 0.045 C +ATOM 5161 CG GLU A 711 -0.254 -9.672 -7.886 1.00 19.55 0.116 C +ATOM 5162 CD GLU A 711 -1.360 -8.719 -8.353 1.00 21.15 0.172 C +ATOM 5163 OE1 GLU A 711 -2.516 -9.172 -8.509 1.00 28.18 -0.648 OA +ATOM 5164 OE2 GLU A 711 -1.016 -7.538 -8.579 1.00 28.77 -0.648 OA +ATOM 5165 H GLU A 711 0.679 -12.486 -8.445 1.00 16.31 0.163 HD +ATOM 5166 N LEU A 712 0.567 -13.303 -4.614 1.00 12.77 -0.346 N +ATOM 5167 CA LEU A 712 0.136 -14.310 -3.649 1.00 12.11 0.177 C +ATOM 5168 C LEU A 712 -0.741 -13.590 -2.614 1.00 13.80 0.241 C +ATOM 5169 O LEU A 712 -0.262 -12.730 -1.878 1.00 12.75 -0.271 OA +ATOM 5170 CB LEU A 712 1.381 -14.921 -2.960 1.00 11.49 0.038 C +ATOM 5171 CG LEU A 712 1.079 -16.013 -1.902 1.00 11.22 -0.020 C +ATOM 5172 CD1 LEU A 712 0.521 -17.300 -2.532 1.00 14.93 0.009 C +ATOM 5173 CD2 LEU A 712 2.326 -16.315 -1.062 1.00 12.34 0.009 C +ATOM 5174 H LEU A 712 1.419 -12.800 -4.401 1.00 12.77 0.163 HD +ATOM 5175 N THR A 713 -2.028 -13.953 -2.586 1.00 13.16 -0.344 N +ATOM 5176 CA THR A 713 -3.093 -13.358 -1.775 1.00 14.45 0.205 C +ATOM 5177 C THR A 713 -3.807 -14.411 -0.907 1.00 15.09 0.243 C +ATOM 5178 O THR A 713 -4.753 -14.080 -0.194 1.00 14.11 -0.271 OA +ATOM 5179 CB THR A 713 -4.057 -12.563 -2.694 1.00 15.65 0.146 C +ATOM 5180 CG2 THR A 713 -3.390 -11.393 -3.432 1.00 16.08 0.042 C +ATOM 5181 OG1 THR A 713 -4.706 -13.410 -3.625 1.00 18.80 -0.393 OA +ATOM 5182 H THR A 713 -2.323 -14.659 -3.250 1.00 13.16 0.163 HD +ATOM 5183 HG1 THR A 713 -5.314 -13.965 -3.159 1.00 18.80 0.210 HD +ATOM 5184 N LYS A 714 -3.353 -15.670 -0.958 1.00 14.86 -0.346 N +ATOM 5185 CA LYS A 714 -3.830 -16.798 -0.165 1.00 16.32 0.176 C +ATOM 5186 C LYS A 714 -2.652 -17.402 0.601 1.00 14.56 0.241 C +ATOM 5187 O LYS A 714 -1.493 -17.120 0.289 1.00 14.57 -0.271 OA +ATOM 5188 CB LYS A 714 -4.462 -17.843 -1.103 1.00 16.39 0.035 C +ATOM 5189 CG LYS A 714 -5.762 -17.358 -1.768 1.00 22.10 0.004 C +ATOM 5190 CD LYS A 714 -6.480 -18.457 -2.564 1.00 21.08 0.027 C +ATOM 5191 CE LYS A 714 -5.734 -18.880 -3.839 1.00 27.28 0.229 C +ATOM 5192 NZ LYS A 714 -6.497 -19.895 -4.581 1.00 27.16 -0.079 N +ATOM 5193 H LYS A 714 -2.565 -15.854 -1.563 1.00 14.86 0.163 HD +ATOM 5194 HZ1 LYS A 714 -7.414 -19.534 -4.802 1.00 27.16 0.274 HD +ATOM 5195 HZ2 LYS A 714 -6.016 -20.119 -5.446 1.00 27.16 0.274 HD +ATOM 5196 HZ3 LYS A 714 -6.586 -20.730 -4.021 1.00 27.16 0.274 HD +ATOM 5197 N GLU A 715 -2.954 -18.271 1.580 1.00 13.88 -0.346 N +ATOM 5198 CA GLU A 715 -1.989 -19.078 2.332 1.00 14.90 0.177 C +ATOM 5199 C GLU A 715 -1.061 -19.919 1.434 1.00 13.40 0.241 C +ATOM 5200 O GLU A 715 0.105 -20.099 1.773 1.00 13.28 -0.271 OA +ATOM 5201 CB GLU A 715 -2.738 -19.938 3.375 1.00 15.21 0.045 C +ATOM 5202 CG GLU A 715 -1.848 -20.948 4.136 1.00 18.84 0.116 C +ATOM 5203 CD GLU A 715 -2.571 -21.757 5.212 1.00 21.67 0.172 C +ATOM 5204 OE1 GLU A 715 -3.798 -21.576 5.373 1.00 29.31 -0.648 OA +ATOM 5205 OE2 GLU A 715 -1.863 -22.560 5.857 1.00 32.03 -0.648 OA +ATOM 5206 H GLU A 715 -3.933 -18.432 1.781 1.00 13.88 0.163 HD +ATOM 5207 N SER A 716 -1.575 -20.392 0.287 1.00 12.53 -0.344 N +ATOM 5208 CA SER A 716 -0.833 -21.094 -0.751 1.00 13.24 0.200 C +ATOM 5209 C SER A 716 -1.468 -20.873 -2.130 1.00 11.42 0.243 C +ATOM 5210 O SER A 716 -2.679 -20.673 -2.232 1.00 11.91 -0.271 OA +ATOM 5211 CB SER A 716 -0.627 -22.575 -0.362 1.00 15.09 0.199 C +ATOM 5212 OG SER A 716 -1.810 -23.337 -0.507 1.00 17.99 -0.398 OA +ATOM 5213 H SER A 716 -2.544 -20.189 0.085 1.00 12.53 0.163 HD +ATOM 5214 HG SER A 716 -2.045 -23.356 -1.422 1.00 17.99 0.209 HD +ATOM 5215 N ASP A 717 -0.647 -20.937 -3.190 1.00 11.33 -0.345 N +ATOM 5216 CA ASP A 717 -1.072 -20.863 -4.588 1.00 12.62 0.186 C +ATOM 5217 C ASP A 717 -0.032 -21.512 -5.514 1.00 12.13 0.241 C +ATOM 5218 O ASP A 717 1.162 -21.456 -5.223 1.00 13.16 -0.271 OA +ATOM 5219 CB ASP A 717 -1.436 -19.403 -4.971 1.00 13.11 0.147 C +ATOM 5220 CG ASP A 717 -2.442 -19.258 -6.119 1.00 18.28 0.175 C +ATOM 5221 OD1 ASP A 717 -2.836 -20.286 -6.712 1.00 17.03 -0.648 OA +ATOM 5222 OD2 ASP A 717 -2.835 -18.099 -6.368 1.00 22.47 -0.648 OA +ATOM 5223 H ASP A 717 0.337 -21.103 -3.025 1.00 11.33 0.163 HD +ATOM 5224 N THR A 718 -0.487 -22.098 -6.634 1.00 11.54 -0.344 N +ATOM 5225 CA THR A 718 0.353 -22.665 -7.691 1.00 11.65 0.205 C +ATOM 5226 C THR A 718 0.256 -21.749 -8.918 1.00 11.55 0.243 C +ATOM 5227 O THR A 718 -0.829 -21.538 -9.460 1.00 11.98 -0.271 OA +ATOM 5228 CB THR A 718 -0.131 -24.094 -8.043 1.00 13.33 0.146 C +ATOM 5229 CG2 THR A 718 0.701 -24.766 -9.153 1.00 13.02 0.042 C +ATOM 5230 OG1 THR A 718 0.014 -24.924 -6.911 1.00 13.21 -0.393 OA +ATOM 5231 H THR A 718 -1.479 -22.032 -6.824 1.00 11.54 0.163 HD +ATOM 5232 HG1 THR A 718 -0.435 -24.522 -6.183 1.00 13.21 0.210 HD +ATOM 5233 N PHE A 719 1.413 -21.232 -9.355 1.00 10.19 -0.346 N +ATOM 5234 CA PHE A 719 1.582 -20.378 -10.526 1.00 11.13 0.180 C +ATOM 5235 C PHE A 719 2.240 -21.227 -11.620 1.00 10.74 0.241 C +ATOM 5236 O PHE A 719 3.385 -21.654 -11.469 1.00 11.17 -0.271 OA +ATOM 5237 CB PHE A 719 2.507 -19.206 -10.138 1.00 10.59 0.073 C +ATOM 5238 CG PHE A 719 1.926 -18.317 -9.052 1.00 11.43 -0.056 A +ATOM 5239 CD1 PHE A 719 1.024 -17.283 -9.377 1.00 13.87 0.007 A +ATOM 5240 CD2 PHE A 719 2.265 -18.545 -7.702 1.00 10.52 0.007 A +ATOM 5241 CE1 PHE A 719 0.469 -16.483 -8.359 1.00 12.50 0.001 A +ATOM 5242 CE2 PHE A 719 1.714 -17.744 -6.684 1.00 13.58 0.001 A +ATOM 5243 CZ PHE A 719 0.814 -16.712 -7.013 1.00 12.25 0.000 A +ATOM 5244 H PHE A 719 2.254 -21.462 -8.841 1.00 10.19 0.163 HD +ATOM 5245 N VAL A 720 1.492 -21.490 -12.703 1.00 10.48 -0.346 N +ATOM 5246 CA VAL A 720 1.889 -22.353 -13.816 1.00 11.37 0.180 C +ATOM 5247 C VAL A 720 2.292 -21.475 -15.013 1.00 12.33 0.241 C +ATOM 5248 O VAL A 720 1.633 -20.481 -15.320 1.00 12.46 -0.271 OA +ATOM 5249 CB VAL A 720 0.705 -23.284 -14.205 1.00 12.59 0.009 C +ATOM 5250 CG1 VAL A 720 1.104 -24.308 -15.286 1.00 13.16 0.012 C +ATOM 5251 CG2 VAL A 720 0.123 -24.034 -12.990 1.00 12.10 0.012 C +ATOM 5252 H VAL A 720 0.568 -21.086 -12.751 1.00 10.48 0.163 HD +ATOM 5253 N PHE A 721 3.378 -21.876 -15.687 1.00 12.99 -0.346 N +ATOM 5254 CA PHE A 721 3.985 -21.236 -16.847 1.00 14.65 0.180 C +ATOM 5255 C PHE A 721 4.076 -22.279 -17.964 1.00 16.08 0.241 C +ATOM 5256 O PHE A 721 4.739 -23.300 -17.792 1.00 16.73 -0.271 OA +ATOM 5257 CB PHE A 721 5.401 -20.753 -16.469 1.00 13.80 0.073 C +ATOM 5258 CG PHE A 721 5.463 -19.763 -15.324 1.00 13.52 -0.056 A +ATOM 5259 CD1 PHE A 721 5.462 -18.376 -15.577 1.00 15.06 0.007 A +ATOM 5260 CD2 PHE A 721 5.534 -20.237 -13.997 1.00 14.14 0.007 A +ATOM 5261 CE1 PHE A 721 5.549 -17.469 -14.504 1.00 16.59 0.001 A +ATOM 5262 CE2 PHE A 721 5.603 -19.331 -12.926 1.00 15.99 0.001 A +ATOM 5263 CZ PHE A 721 5.627 -17.949 -13.182 1.00 15.03 0.000 A +ATOM 5264 H PHE A 721 3.855 -22.701 -15.342 1.00 12.99 0.163 HD +ATOM 5265 N ASN A 722 3.432 -22.011 -19.108 1.00 17.07 -0.346 N +ATOM 5266 CA ASN A 722 3.496 -22.838 -20.315 1.00 18.01 0.185 C +ATOM 5267 C ASN A 722 4.567 -22.303 -21.276 1.00 19.47 0.241 C +ATOM 5268 O ASN A 722 4.897 -21.118 -21.258 1.00 19.01 -0.271 OA +ATOM 5269 CB ASN A 722 2.135 -22.781 -21.048 1.00 19.28 0.137 C +ATOM 5270 CG ASN A 722 1.026 -23.532 -20.303 1.00 20.41 0.217 C +ATOM 5271 ND2 ASN A 722 -0.150 -22.916 -20.174 1.00 23.93 -0.370 N +ATOM 5272 OD1 ASN A 722 1.231 -24.645 -19.825 1.00 22.72 -0.274 OA +ATOM 5273 H ASN A 722 2.918 -21.145 -19.176 1.00 17.07 0.163 HD +ATOM 5274 1HD2 ASN A 722 -0.287 -21.995 -20.563 1.00 23.93 0.159 HD +ATOM 5275 2HD2 ASN A 722 -0.900 -23.377 -19.681 1.00 23.93 0.159 HD +ATOM 5276 N ASN A 723 5.100 -23.199 -22.122 1.00 21.39 -0.346 N +ATOM 5277 CA ASN A 723 6.060 -22.936 -23.204 1.00 22.68 0.185 C +ATOM 5278 C ASN A 723 7.484 -22.658 -22.689 1.00 21.61 0.241 C +ATOM 5279 O ASN A 723 8.250 -21.927 -23.319 1.00 22.02 -0.271 OA +ATOM 5280 CB ASN A 723 5.549 -21.904 -24.245 1.00 24.36 0.137 C +ATOM 5281 CG ASN A 723 4.214 -22.300 -24.883 1.00 27.04 0.217 C +ATOM 5282 ND2 ASN A 723 3.189 -21.460 -24.724 1.00 31.37 -0.370 N +ATOM 5283 OD1 ASN A 723 4.101 -23.365 -25.486 1.00 30.32 -0.274 OA +ATOM 5284 H ASN A 723 4.761 -24.151 -22.052 1.00 21.39 0.163 HD +ATOM 5285 1HD2 ASN A 723 3.315 -20.600 -24.210 1.00 31.37 0.159 HD +ATOM 5286 2HD2 ASN A 723 2.290 -21.693 -25.120 1.00 31.37 0.159 HD +ATOM 5287 N ILE A 724 7.830 -23.243 -21.534 1.00 20.57 -0.346 N +ATOM 5288 CA ILE A 724 9.131 -23.181 -20.882 1.00 18.79 0.180 C +ATOM 5289 C ILE A 724 9.940 -24.365 -21.443 1.00 19.18 0.241 C +ATOM 5290 O ILE A 724 9.655 -25.522 -21.137 1.00 19.66 -0.271 OA +ATOM 5291 CB ILE A 724 8.893 -23.282 -19.346 1.00 17.76 0.013 C +ATOM 5292 CG1 ILE A 724 7.971 -22.157 -18.810 1.00 17.31 0.002 C +ATOM 5293 CG2 ILE A 724 10.199 -23.329 -18.537 1.00 16.89 0.012 C +ATOM 5294 CD1 ILE A 724 8.454 -20.726 -19.094 1.00 18.45 0.005 C +ATOM 5295 H ILE A 724 7.140 -23.841 -21.097 1.00 20.57 0.163 HD +ATOM 5296 N ALA A 725 10.906 -24.053 -22.325 1.00 18.85 -0.346 N +ATOM 5297 CA ALA A 725 11.595 -24.977 -23.233 1.00 19.47 0.172 C +ATOM 5298 C ALA A 725 12.508 -26.010 -22.551 1.00 18.82 0.240 C +ATOM 5299 O ALA A 725 12.718 -27.094 -23.093 1.00 19.70 -0.271 OA +ATOM 5300 CB ALA A 725 12.447 -24.141 -24.199 1.00 20.05 0.042 C +ATOM 5301 H ALA A 725 11.066 -23.069 -22.499 1.00 18.85 0.163 HD +ATOM 5302 N VAL A 726 13.037 -25.670 -21.369 1.00 18.66 -0.346 N +ATOM 5303 CA VAL A 726 13.948 -26.463 -20.546 1.00 19.30 0.180 C +ATOM 5304 C VAL A 726 13.636 -26.164 -19.073 1.00 17.74 0.241 C +ATOM 5305 O VAL A 726 13.046 -25.122 -18.788 1.00 16.35 -0.271 OA +ATOM 5306 CB VAL A 726 15.412 -26.196 -20.998 1.00 20.53 0.009 C +ATOM 5307 CG1 VAL A 726 15.946 -24.812 -20.585 1.00 20.42 0.012 C +ATOM 5308 CG2 VAL A 726 16.380 -27.297 -20.547 1.00 24.80 0.012 C +ATOM 5309 H VAL A 726 12.771 -24.775 -20.984 1.00 18.66 0.163 HD +ATOM 5310 N LYS A 727 14.032 -27.042 -18.133 1.00 17.92 -0.346 N +ATOM 5311 CA LYS A 727 13.823 -26.844 -16.693 1.00 17.01 0.176 C +ATOM 5312 C LYS A 727 14.573 -25.580 -16.224 1.00 15.40 0.243 C +ATOM 5313 O LYS A 727 15.803 -25.563 -16.298 1.00 15.47 -0.271 OA +ATOM 5314 CB LYS A 727 14.312 -28.078 -15.902 1.00 18.09 0.035 C +ATOM 5315 CG LYS A 727 13.932 -28.019 -14.408 1.00 20.49 0.004 C +ATOM 5316 CD LYS A 727 14.514 -29.179 -13.591 1.00 23.24 0.027 C +ATOM 5317 CE LYS A 727 14.106 -29.106 -12.112 1.00 29.42 0.229 C +ATOM 5318 NZ LYS A 727 14.824 -30.108 -11.308 1.00 32.51 -0.079 N +ATOM 5319 H LYS A 727 14.501 -27.891 -18.423 1.00 17.92 0.163 HD +ATOM 5320 HZ1 LYS A 727 14.542 -30.029 -10.341 1.00 32.51 0.274 HD +ATOM 5321 HZ2 LYS A 727 14.613 -31.034 -11.650 1.00 32.51 0.274 HD +ATOM 5322 HZ3 LYS A 727 15.818 -29.940 -11.379 1.00 32.51 0.274 HD +ATOM 5323 N PRO A 728 13.867 -24.524 -15.764 1.00 14.50 -0.337 N +ATOM 5324 CA PRO A 728 14.501 -23.273 -15.349 1.00 13.27 0.179 C +ATOM 5325 C PRO A 728 14.996 -23.384 -13.902 1.00 13.26 0.241 C +ATOM 5326 O PRO A 728 14.509 -24.214 -13.133 1.00 13.42 -0.271 OA +ATOM 5327 CB PRO A 728 13.368 -22.242 -15.422 1.00 13.64 0.037 C +ATOM 5328 CG PRO A 728 12.124 -23.038 -15.073 1.00 15.15 0.022 C +ATOM 5329 CD PRO A 728 12.408 -24.429 -15.641 1.00 13.98 0.127 C +ATOM 5330 N ILE A 729 15.917 -22.494 -13.519 1.00 12.00 -0.346 N +ATOM 5331 CA ILE A 729 16.192 -22.188 -12.122 1.00 12.70 0.180 C +ATOM 5332 C ILE A 729 15.436 -20.873 -11.850 1.00 11.44 0.243 C +ATOM 5333 O ILE A 729 15.677 -19.885 -12.546 1.00 11.96 -0.271 OA +ATOM 5334 CB ILE A 729 17.712 -22.032 -11.884 1.00 12.64 0.013 C +ATOM 5335 CG1 ILE A 729 18.434 -23.360 -12.210 1.00 15.56 0.002 C +ATOM 5336 CG2 ILE A 729 17.984 -21.630 -10.418 1.00 12.86 0.012 C +ATOM 5337 CD1 ILE A 729 19.958 -23.258 -12.214 1.00 15.67 0.005 C +ATOM 5338 H ILE A 729 16.285 -21.854 -14.213 1.00 12.00 0.163 HD +ATOM 5339 N PRO A 730 14.516 -20.841 -10.865 1.00 11.76 -0.337 N +ATOM 5340 CA PRO A 730 13.690 -19.666 -10.588 1.00 11.17 0.179 C +ATOM 5341 C PRO A 730 14.487 -18.618 -9.799 1.00 10.83 0.241 C +ATOM 5342 O PRO A 730 15.148 -18.941 -8.811 1.00 9.03 -0.271 OA +ATOM 5343 CB PRO A 730 12.518 -20.218 -9.768 1.00 11.04 0.037 C +ATOM 5344 CG PRO A 730 13.110 -21.405 -9.026 1.00 11.12 0.022 C +ATOM 5345 CD PRO A 730 14.167 -21.952 -9.981 1.00 11.72 0.127 C +ATOM 5346 N SER A 731 14.406 -17.363 -10.255 1.00 10.52 -0.344 N +ATOM 5347 CA SER A 731 14.969 -16.187 -9.612 1.00 9.85 0.200 C +ATOM 5348 C SER A 731 13.819 -15.503 -8.856 1.00 10.23 0.243 C +ATOM 5349 O SER A 731 13.030 -14.780 -9.458 1.00 10.67 -0.271 OA +ATOM 5350 CB SER A 731 15.507 -15.261 -10.723 1.00 10.61 0.199 C +ATOM 5351 OG SER A 731 15.967 -14.034 -10.199 1.00 9.26 -0.398 OA +ATOM 5352 H SER A 731 13.833 -17.196 -11.074 1.00 10.52 0.163 HD +ATOM 5353 HG SER A 731 16.870 -14.143 -9.914 1.00 9.26 0.209 HD +ATOM 5354 N LEU A 732 13.692 -15.789 -7.553 1.00 9.23 -0.346 N +ATOM 5355 CA LEU A 732 12.530 -15.438 -6.739 1.00 9.06 0.177 C +ATOM 5356 C LEU A 732 12.806 -14.222 -5.858 1.00 8.49 0.241 C +ATOM 5357 O LEU A 732 13.868 -14.126 -5.244 1.00 8.02 -0.271 OA +ATOM 5358 CB LEU A 732 12.235 -16.612 -5.792 1.00 9.01 0.038 C +ATOM 5359 CG LEU A 732 11.844 -17.914 -6.509 1.00 12.34 -0.020 C +ATOM 5360 CD1 LEU A 732 11.762 -19.038 -5.484 1.00 15.44 0.009 C +ATOM 5361 CD2 LEU A 732 10.524 -17.785 -7.287 1.00 11.75 0.009 C +ATOM 5362 H LEU A 732 14.391 -16.381 -7.120 1.00 9.23 0.163 HD +ATOM 5363 N PHE A 733 11.814 -13.321 -5.776 1.00 7.49 -0.346 N +ATOM 5364 CA PHE A 733 11.804 -12.096 -4.977 1.00 7.75 0.180 C +ATOM 5365 C PHE A 733 12.839 -11.085 -5.489 1.00 7.91 0.241 C +ATOM 5366 O PHE A 733 13.631 -10.578 -4.703 1.00 8.00 -0.271 OA +ATOM 5367 CB PHE A 733 11.923 -12.376 -3.455 1.00 8.59 0.073 C +ATOM 5368 CG PHE A 733 10.659 -12.899 -2.811 1.00 8.73 -0.056 A +ATOM 5369 CD1 PHE A 733 9.629 -11.996 -2.488 1.00 8.79 0.007 A +ATOM 5370 CD2 PHE A 733 10.511 -14.268 -2.513 1.00 9.39 0.007 A +ATOM 5371 CE1 PHE A 733 8.437 -12.457 -1.912 1.00 10.90 0.001 A +ATOM 5372 CE2 PHE A 733 9.341 -14.717 -1.868 1.00 9.95 0.001 A +ATOM 5373 CZ PHE A 733 8.298 -13.816 -1.590 1.00 10.75 0.000 A +ATOM 5374 H PHE A 733 10.991 -13.490 -6.336 1.00 7.49 0.163 HD +ATOM 5375 N ARG A 734 12.860 -10.816 -6.805 1.00 8.32 -0.346 N +ATOM 5376 CA ARG A 734 13.782 -9.889 -7.462 1.00 8.82 0.176 C +ATOM 5377 C ARG A 734 13.682 -8.466 -6.899 1.00 9.00 0.240 C +ATOM 5378 O ARG A 734 12.588 -7.919 -6.778 1.00 8.93 -0.271 OA +ATOM 5379 CB ARG A 734 13.551 -9.882 -8.981 1.00 10.79 0.036 C +ATOM 5380 CG ARG A 734 14.043 -11.159 -9.671 1.00 7.24 0.023 C +ATOM 5381 CD ARG A 734 13.986 -11.033 -11.197 1.00 11.20 0.138 C +ATOM 5382 NE ARG A 734 14.889 -11.994 -11.830 1.00 10.49 -0.227 N +ATOM 5383 CZ ARG A 734 15.079 -12.157 -13.146 1.00 10.81 0.665 C +ATOM 5384 NH1 ARG A 734 14.413 -11.429 -14.051 1.00 9.95 -0.235 N +ATOM 5385 NH2 ARG A 734 15.961 -13.068 -13.566 1.00 11.67 -0.235 N +ATOM 5386 H ARG A 734 12.184 -11.289 -7.392 1.00 8.32 0.163 HD +ATOM 5387 HE ARG A 734 15.394 -12.610 -11.199 1.00 10.49 0.177 HD +ATOM 5388 HH11 ARG A 734 13.794 -10.676 -13.768 1.00 9.95 0.174 HD +ATOM 5389 HH12 ARG A 734 14.565 -11.612 -15.037 1.00 9.95 0.174 HD +ATOM 5390 HH21 ARG A 734 16.586 -13.529 -12.911 1.00 11.67 0.174 HD +ATOM 5391 HH22 ARG A 734 16.098 -13.206 -14.563 1.00 11.67 0.174 HD +ATOM 5392 N GLY A 735 14.838 -7.906 -6.514 1.00 9.35 -0.351 N +ATOM 5393 CA GLY A 735 14.975 -6.638 -5.803 1.00 9.85 0.225 C +ATOM 5394 C GLY A 735 14.528 -6.694 -4.336 1.00 9.98 0.236 C +ATOM 5395 O GLY A 735 14.382 -5.642 -3.721 1.00 10.71 -0.272 OA +ATOM 5396 H GLY A 735 15.691 -8.419 -6.706 1.00 9.35 0.163 HD +ATOM 5397 N PHE A 736 14.256 -7.900 -3.806 1.00 9.05 -0.346 N +ATOM 5398 CA PHE A 736 13.671 -8.219 -2.505 1.00 8.49 0.180 C +ATOM 5399 C PHE A 736 12.243 -7.662 -2.441 1.00 8.29 0.241 C +ATOM 5400 O PHE A 736 11.990 -6.667 -1.766 1.00 7.59 -0.271 OA +ATOM 5401 CB PHE A 736 14.580 -7.776 -1.342 1.00 9.01 0.073 C +ATOM 5402 CG PHE A 736 14.116 -8.264 0.016 1.00 9.75 -0.056 A +ATOM 5403 CD1 PHE A 736 14.019 -9.644 0.285 1.00 10.60 0.007 A +ATOM 5404 CD2 PHE A 736 13.741 -7.337 1.004 1.00 10.77 0.007 A +ATOM 5405 CE1 PHE A 736 13.575 -10.097 1.540 1.00 11.27 0.001 A +ATOM 5406 CE2 PHE A 736 13.289 -7.788 2.252 1.00 12.20 0.001 A +ATOM 5407 CZ PHE A 736 13.223 -9.165 2.531 1.00 10.69 0.000 A +ATOM 5408 H PHE A 736 14.401 -8.697 -4.412 1.00 9.05 0.163 HD +ATOM 5409 N SER A 737 11.330 -8.253 -3.224 1.00 8.67 -0.344 N +ATOM 5410 CA SER A 737 10.020 -7.680 -3.525 1.00 8.21 0.200 C +ATOM 5411 C SER A 737 8.964 -7.809 -2.408 1.00 8.36 0.243 C +ATOM 5412 O SER A 737 7.875 -7.267 -2.573 1.00 9.75 -0.271 OA +ATOM 5413 CB SER A 737 9.522 -8.303 -4.840 1.00 9.69 0.199 C +ATOM 5414 OG SER A 737 9.174 -9.658 -4.714 1.00 9.71 -0.398 OA +ATOM 5415 H SER A 737 11.608 -9.065 -3.757 1.00 8.67 0.163 HD +ATOM 5416 HG SER A 737 8.399 -9.717 -4.169 1.00 9.71 0.209 HD +ATOM 5417 N ALA A 738 9.271 -8.453 -1.270 1.00 6.17 -0.346 N +ATOM 5418 CA ALA A 738 8.457 -8.423 -0.052 1.00 7.69 0.172 C +ATOM 5419 C ALA A 738 9.340 -8.652 1.186 1.00 7.14 0.243 C +ATOM 5420 O ALA A 738 10.313 -9.400 1.077 1.00 8.44 -0.271 OA +ATOM 5421 CB ALA A 738 7.286 -9.412 -0.131 1.00 8.43 0.042 C +ATOM 5422 H ALA A 738 10.182 -8.883 -1.194 1.00 6.17 0.163 HD +ATOM 5423 N PRO A 739 9.036 -8.029 2.352 1.00 7.95 -0.337 N +ATOM 5424 CA PRO A 739 9.808 -8.185 3.592 1.00 7.87 0.179 C +ATOM 5425 C PRO A 739 9.454 -9.526 4.260 1.00 8.41 0.241 C +ATOM 5426 O PRO A 739 8.586 -9.591 5.125 1.00 8.37 -0.271 OA +ATOM 5427 CB PRO A 739 9.414 -6.967 4.443 1.00 8.32 0.037 C +ATOM 5428 CG PRO A 739 7.993 -6.644 4.013 1.00 9.59 0.022 C +ATOM 5429 CD PRO A 739 7.945 -7.070 2.546 1.00 8.14 0.127 C +ATOM 5430 N VAL A 740 10.094 -10.608 3.795 1.00 7.54 -0.346 N +ATOM 5431 CA VAL A 740 9.792 -11.996 4.140 1.00 7.88 0.180 C +ATOM 5432 C VAL A 740 11.089 -12.791 4.329 1.00 8.05 0.241 C +ATOM 5433 O VAL A 740 12.133 -12.393 3.815 1.00 8.11 -0.271 OA +ATOM 5434 CB VAL A 740 8.822 -12.629 3.097 1.00 7.53 0.009 C +ATOM 5435 CG1 VAL A 740 7.502 -11.853 2.946 1.00 7.79 0.012 C +ATOM 5436 CG2 VAL A 740 9.455 -12.879 1.717 1.00 7.78 0.012 C +ATOM 5437 H VAL A 740 10.786 -10.470 3.071 1.00 7.54 0.163 HD +ATOM 5438 N TYR A 741 11.003 -13.950 5.003 1.00 8.45 -0.346 N +ATOM 5439 CA TYR A 741 12.025 -14.996 4.978 1.00 9.80 0.180 C +ATOM 5440 C TYR A 741 11.770 -15.844 3.725 1.00 10.85 0.241 C +ATOM 5441 O TYR A 741 10.719 -16.470 3.602 1.00 12.58 -0.271 OA +ATOM 5442 CB TYR A 741 11.870 -15.918 6.206 1.00 9.19 0.073 C +ATOM 5443 CG TYR A 741 12.327 -15.327 7.520 1.00 9.05 -0.056 A +ATOM 5444 CD1 TYR A 741 13.704 -15.172 7.772 1.00 9.07 0.010 A +ATOM 5445 CD2 TYR A 741 11.388 -14.973 8.508 1.00 9.68 0.010 A +ATOM 5446 CE1 TYR A 741 14.145 -14.649 9.001 1.00 10.96 0.037 A +ATOM 5447 CE2 TYR A 741 11.829 -14.468 9.743 1.00 10.40 0.037 A +ATOM 5448 CZ TYR A 741 13.203 -14.282 9.980 1.00 10.66 0.065 A +ATOM 5449 OH TYR A 741 13.623 -13.744 11.156 1.00 10.96 -0.361 OA +ATOM 5450 H TYR A 741 10.105 -14.197 5.401 1.00 8.45 0.163 HD +ATOM 5451 HH TYR A 741 12.912 -13.346 11.645 1.00 10.96 0.217 HD +ATOM 5452 N ILE A 742 12.723 -15.839 2.783 1.00 10.03 -0.346 N +ATOM 5453 CA ILE A 742 12.627 -16.555 1.514 1.00 10.14 0.180 C +ATOM 5454 C ILE A 742 13.303 -17.918 1.719 1.00 11.31 0.241 C +ATOM 5455 O ILE A 742 14.511 -17.993 1.946 1.00 10.87 -0.271 OA +ATOM 5456 CB ILE A 742 13.360 -15.749 0.404 1.00 9.96 0.013 C +ATOM 5457 CG1 ILE A 742 12.767 -14.329 0.249 1.00 10.00 0.002 C +ATOM 5458 CG2 ILE A 742 13.336 -16.495 -0.953 1.00 10.91 0.012 C +ATOM 5459 CD1 ILE A 742 13.685 -13.359 -0.500 1.00 9.78 0.005 C +ATOM 5460 H ILE A 742 13.558 -15.292 2.940 1.00 10.03 0.163 HD +ATOM 5461 N GLU A 743 12.509 -18.989 1.620 1.00 12.47 -0.346 N +ATOM 5462 CA GLU A 743 12.934 -20.379 1.719 1.00 13.20 0.177 C +ATOM 5463 C GLU A 743 12.817 -20.956 0.303 1.00 13.89 0.241 C +ATOM 5464 O GLU A 743 11.806 -21.562 -0.049 1.00 13.19 -0.271 OA +ATOM 5465 CB GLU A 743 12.002 -21.089 2.723 1.00 13.86 0.045 C +ATOM 5466 CG GLU A 743 12.222 -20.614 4.176 1.00 16.94 0.116 C +ATOM 5467 CD GLU A 743 11.082 -20.972 5.134 1.00 21.28 0.172 C +ATOM 5468 OE1 GLU A 743 10.230 -21.808 4.766 1.00 22.14 -0.648 OA +ATOM 5469 OE2 GLU A 743 11.087 -20.408 6.248 1.00 22.91 -0.648 OA +ATOM 5470 H GLU A 743 11.524 -18.833 1.441 1.00 12.47 0.163 HD +ATOM 5471 N ASP A 744 13.841 -20.701 -0.531 1.00 14.91 -0.346 N +ATOM 5472 CA ASP A 744 13.847 -20.978 -1.971 1.00 15.18 0.186 C +ATOM 5473 C ASP A 744 13.802 -22.484 -2.302 1.00 15.35 0.241 C +ATOM 5474 O ASP A 744 13.362 -22.840 -3.387 1.00 15.30 -0.271 OA +ATOM 5475 CB ASP A 744 15.065 -20.272 -2.643 1.00 15.71 0.147 C +ATOM 5476 CG ASP A 744 16.491 -20.755 -2.313 1.00 17.67 0.175 C +ATOM 5477 OD1 ASP A 744 16.648 -21.726 -1.544 1.00 15.93 -0.648 OA +ATOM 5478 OD2 ASP A 744 17.435 -20.140 -2.851 1.00 20.40 -0.648 OA +ATOM 5479 H ASP A 744 14.651 -20.227 -0.155 1.00 14.91 0.163 HD +ATOM 5480 N GLN A 745 14.264 -23.368 -1.400 1.00 15.69 -0.346 N +ATOM 5481 CA GLN A 745 14.328 -24.827 -1.543 1.00 16.99 0.177 C +ATOM 5482 C GLN A 745 15.217 -25.292 -2.718 1.00 16.57 0.241 C +ATOM 5483 O GLN A 745 15.068 -26.414 -3.205 1.00 18.54 -0.271 OA +ATOM 5484 CB GLN A 745 12.916 -25.469 -1.574 1.00 18.95 0.044 C +ATOM 5485 CG GLN A 745 12.041 -25.174 -0.334 1.00 24.31 0.105 C +ATOM 5486 CD GLN A 745 12.526 -25.708 1.014 1.00 31.01 0.215 C +ATOM 5487 NE2 GLN A 745 13.505 -26.613 1.032 1.00 32.82 -0.370 N +ATOM 5488 OE1 GLN A 745 11.998 -25.300 2.044 1.00 34.15 -0.274 OA +ATOM 5489 H GLN A 745 14.638 -22.987 -0.541 1.00 15.69 0.163 HD +ATOM 5490 1HE2 GLN A 745 13.915 -26.932 0.167 1.00 32.82 0.159 HD +ATOM 5491 2HE2 GLN A 745 13.856 -26.963 1.916 1.00 32.82 0.159 HD +ATOM 5492 N LEU A 746 16.144 -24.431 -3.167 1.00 14.91 -0.346 N +ATOM 5493 CA LEU A 746 17.089 -24.704 -4.239 1.00 13.96 0.177 C +ATOM 5494 C LEU A 746 18.332 -25.383 -3.659 1.00 13.53 0.241 C +ATOM 5495 O LEU A 746 18.726 -25.130 -2.518 1.00 12.89 -0.271 OA +ATOM 5496 CB LEU A 746 17.531 -23.373 -4.892 1.00 13.91 0.038 C +ATOM 5497 CG LEU A 746 16.411 -22.591 -5.613 1.00 14.74 -0.020 C +ATOM 5498 CD1 LEU A 746 16.958 -21.279 -6.199 1.00 13.23 0.009 C +ATOM 5499 CD2 LEU A 746 15.723 -23.405 -6.719 1.00 14.66 0.009 C +ATOM 5500 H LEU A 746 16.216 -23.531 -2.709 1.00 14.91 0.163 HD +ATOM 5501 N THR A 747 18.963 -26.226 -4.486 1.00 13.84 -0.344 N +ATOM 5502 CA THR A 747 20.273 -26.824 -4.238 1.00 14.27 0.205 C +ATOM 5503 C THR A 747 21.361 -25.738 -4.333 1.00 13.50 0.243 C +ATOM 5504 O THR A 747 21.151 -24.696 -4.956 1.00 12.01 -0.271 OA +ATOM 5505 CB THR A 747 20.531 -27.950 -5.273 1.00 14.54 0.146 C +ATOM 5506 CG2 THR A 747 19.455 -29.047 -5.282 1.00 15.16 0.042 C +ATOM 5507 OG1 THR A 747 20.684 -27.444 -6.584 1.00 14.12 -0.393 OA +ATOM 5508 H THR A 747 18.569 -26.357 -5.410 1.00 13.84 0.163 HD +ATOM 5509 HG1 THR A 747 19.862 -27.050 -6.847 1.00 14.12 0.210 HD +ATOM 5510 N ASP A 748 22.536 -25.984 -3.738 1.00 14.32 -0.345 N +ATOM 5511 CA ASP A 748 23.683 -25.078 -3.837 1.00 15.63 0.186 C +ATOM 5512 C ASP A 748 24.233 -24.971 -5.266 1.00 15.27 0.241 C +ATOM 5513 O ASP A 748 24.718 -23.902 -5.612 1.00 14.54 -0.271 OA +ATOM 5514 CB ASP A 748 24.805 -25.466 -2.854 1.00 17.22 0.147 C +ATOM 5515 CG ASP A 748 24.415 -25.343 -1.378 1.00 17.88 0.175 C +ATOM 5516 OD1 ASP A 748 23.478 -24.576 -1.056 1.00 17.24 -0.648 OA +ATOM 5517 OD2 ASP A 748 25.092 -26.021 -0.577 1.00 22.08 -0.648 OA +ATOM 5518 H ASP A 748 22.660 -26.859 -3.241 1.00 14.32 0.163 HD +ATOM 5519 N GLU A 749 24.081 -26.004 -6.118 1.00 15.83 -0.346 N +ATOM 5520 CA GLU A 749 24.366 -25.947 -7.556 1.00 17.53 0.177 C +ATOM 5521 C GLU A 749 23.486 -24.913 -8.286 1.00 15.22 0.241 C +ATOM 5522 O GLU A 749 23.996 -24.143 -9.099 1.00 14.03 -0.271 OA +ATOM 5523 CB GLU A 749 24.201 -27.353 -8.176 1.00 18.56 0.045 C +ATOM 5524 CG GLU A 749 24.425 -27.406 -9.707 1.00 23.74 0.116 C +ATOM 5525 CD GLU A 749 24.161 -28.769 -10.344 1.00 24.82 0.172 C +ATOM 5526 OE1 GLU A 749 23.362 -29.544 -9.774 1.00 33.47 -0.648 OA +ATOM 5527 OE2 GLU A 749 24.729 -28.987 -11.436 1.00 32.46 -0.648 OA +ATOM 5528 H GLU A 749 23.681 -26.861 -5.761 1.00 15.83 0.163 HD +ATOM 5529 N GLU A 750 22.180 -24.879 -7.973 1.00 13.49 -0.346 N +ATOM 5530 CA GLU A 750 21.211 -23.952 -8.557 1.00 13.38 0.177 C +ATOM 5531 C GLU A 750 21.438 -22.513 -8.065 1.00 12.55 0.241 C +ATOM 5532 O GLU A 750 21.321 -21.579 -8.856 1.00 12.43 -0.271 OA +ATOM 5533 CB GLU A 750 19.788 -24.402 -8.175 1.00 12.72 0.045 C +ATOM 5534 CG GLU A 750 19.321 -25.643 -8.958 1.00 13.33 0.116 C +ATOM 5535 CD GLU A 750 17.988 -26.192 -8.448 1.00 16.44 0.172 C +ATOM 5536 OE1 GLU A 750 17.868 -26.382 -7.217 1.00 17.18 -0.648 OA +ATOM 5537 OE2 GLU A 750 17.107 -26.428 -9.302 1.00 25.46 -0.648 OA +ATOM 5538 H GLU A 750 21.834 -25.539 -7.289 1.00 13.49 0.163 HD +ATOM 5539 N ARG A 751 21.821 -22.336 -6.788 1.00 10.65 -0.346 N +ATOM 5540 CA ARG A 751 22.168 -21.046 -6.190 1.00 10.89 0.176 C +ATOM 5541 C ARG A 751 23.516 -20.512 -6.713 1.00 10.78 0.241 C +ATOM 5542 O ARG A 751 23.643 -19.306 -6.900 1.00 9.78 -0.271 OA +ATOM 5543 CB ARG A 751 22.260 -21.207 -4.662 1.00 11.72 0.036 C +ATOM 5544 CG ARG A 751 20.919 -21.475 -3.961 1.00 9.67 0.023 C +ATOM 5545 CD ARG A 751 21.152 -21.845 -2.493 1.00 13.33 0.138 C +ATOM 5546 NE ARG A 751 19.902 -22.068 -1.761 1.00 14.98 -0.227 N +ATOM 5547 CZ ARG A 751 19.812 -22.732 -0.596 1.00 17.47 0.665 C +ATOM 5548 NH1 ARG A 751 20.876 -23.311 -0.020 1.00 21.22 -0.235 N +ATOM 5549 NH2 ARG A 751 18.629 -22.819 0.015 1.00 19.63 -0.235 N +ATOM 5550 H ARG A 751 21.886 -23.155 -6.198 1.00 10.65 0.163 HD +ATOM 5551 HE ARG A 751 19.071 -21.613 -2.124 1.00 14.98 0.177 HD +ATOM 5552 HH11 ARG A 751 21.783 -23.309 -0.472 1.00 21.22 0.174 HD +ATOM 5553 HH12 ARG A 751 20.756 -23.816 0.849 1.00 21.22 0.174 HD +ATOM 5554 HH21 ARG A 751 17.806 -22.405 -0.426 1.00 19.63 0.174 HD +ATOM 5555 HH22 ARG A 751 18.541 -23.307 0.896 1.00 19.63 0.174 HD +ATOM 5556 N ILE A 752 24.504 -21.385 -6.993 1.00 11.17 -0.346 N +ATOM 5557 CA ILE A 752 25.779 -21.038 -7.638 1.00 12.13 0.180 C +ATOM 5558 C ILE A 752 25.546 -20.515 -9.067 1.00 12.45 0.241 C +ATOM 5559 O ILE A 752 26.210 -19.562 -9.471 1.00 12.56 -0.271 OA +ATOM 5560 CB ILE A 752 26.755 -22.258 -7.607 1.00 12.93 0.013 C +ATOM 5561 CG1 ILE A 752 27.344 -22.453 -6.192 1.00 14.07 0.002 C +ATOM 5562 CG2 ILE A 752 27.909 -22.165 -8.632 1.00 14.49 0.012 C +ATOM 5563 CD1 ILE A 752 27.914 -23.859 -5.940 1.00 16.12 0.005 C +ATOM 5564 H ILE A 752 24.350 -22.363 -6.783 1.00 11.17 0.163 HD +ATOM 5565 N LEU A 753 24.594 -21.106 -9.811 1.00 12.90 -0.346 N +ATOM 5566 CA LEU A 753 24.249 -20.696 -11.171 1.00 14.16 0.177 C +ATOM 5567 C LEU A 753 23.519 -19.342 -11.166 1.00 12.70 0.241 C +ATOM 5568 O LEU A 753 23.816 -18.512 -12.022 1.00 14.07 -0.271 OA +ATOM 5569 CB LEU A 753 23.379 -21.790 -11.833 1.00 15.31 0.038 C +ATOM 5570 CG LEU A 753 23.533 -21.877 -13.371 1.00 19.73 -0.020 C +ATOM 5571 CD1 LEU A 753 23.326 -23.316 -13.866 1.00 23.29 0.009 C +ATOM 5572 CD2 LEU A 753 22.626 -20.901 -14.146 1.00 21.47 0.009 C +ATOM 5573 H LEU A 753 24.087 -21.885 -9.414 1.00 12.90 0.163 HD +ATOM 5574 N LEU A 754 22.642 -19.076 -10.177 1.00 11.83 -0.346 N +ATOM 5575 CA LEU A 754 22.013 -17.767 -9.978 1.00 11.88 0.177 C +ATOM 5576 C LEU A 754 23.045 -16.699 -9.589 1.00 11.25 0.241 C +ATOM 5577 O LEU A 754 23.061 -15.640 -10.206 1.00 11.59 -0.271 OA +ATOM 5578 CB LEU A 754 20.915 -17.825 -8.893 1.00 11.23 0.038 C +ATOM 5579 CG LEU A 754 19.621 -18.560 -9.294 1.00 12.58 -0.020 C +ATOM 5580 CD1 LEU A 754 18.723 -18.750 -8.062 1.00 12.41 0.009 C +ATOM 5581 CD2 LEU A 754 18.842 -17.850 -10.414 1.00 11.09 0.009 C +ATOM 5582 H LEU A 754 22.434 -19.803 -9.505 1.00 11.83 0.163 HD +ATOM 5583 N LEU A 755 23.945 -16.991 -8.634 1.00 10.07 -0.346 N +ATOM 5584 CA LEU A 755 25.066 -16.141 -8.216 1.00 11.95 0.177 C +ATOM 5585 C LEU A 755 25.974 -15.710 -9.385 1.00 12.53 0.241 C +ATOM 5586 O LEU A 755 26.417 -14.563 -9.421 1.00 12.23 -0.271 OA +ATOM 5587 CB LEU A 755 25.846 -16.869 -7.094 1.00 11.83 0.038 C +ATOM 5588 CG LEU A 755 27.122 -16.176 -6.563 1.00 12.74 -0.020 C +ATOM 5589 CD1 LEU A 755 26.829 -14.776 -6.007 1.00 11.98 0.009 C +ATOM 5590 CD2 LEU A 755 27.795 -17.047 -5.490 1.00 12.44 0.009 C +ATOM 5591 H LEU A 755 23.862 -17.888 -8.171 1.00 10.07 0.163 HD +ATOM 5592 N LYS A 756 26.212 -16.612 -10.350 1.00 13.78 -0.346 N +ATOM 5593 CA LYS A 756 27.063 -16.383 -11.512 1.00 15.25 0.176 C +ATOM 5594 C LYS A 756 26.336 -15.697 -12.683 1.00 15.38 0.241 C +ATOM 5595 O LYS A 756 26.978 -14.904 -13.372 1.00 16.28 -0.271 OA +ATOM 5596 CB LYS A 756 27.616 -17.744 -11.985 1.00 15.17 0.035 C +ATOM 5597 CG LYS A 756 28.752 -18.262 -11.078 1.00 14.00 0.004 C +ATOM 5598 CD LYS A 756 29.154 -19.726 -11.335 1.00 18.92 0.027 C +ATOM 5599 CE LYS A 756 29.748 -20.004 -12.724 1.00 26.22 0.229 C +ATOM 5600 NZ LYS A 756 31.071 -19.391 -12.909 1.00 32.37 -0.079 N +ATOM 5601 H LYS A 756 25.812 -17.535 -10.244 1.00 13.78 0.163 HD +ATOM 5602 HZ1 LYS A 756 31.718 -19.783 -12.233 1.00 32.37 0.274 HD +ATOM 5603 HZ2 LYS A 756 31.410 -19.588 -13.840 1.00 32.37 0.274 HD +ATOM 5604 HZ3 LYS A 756 31.012 -18.390 -12.783 1.00 32.37 0.274 HD +ATOM 5605 N TYR A 757 25.045 -15.997 -12.932 1.00 14.64 -0.346 N +ATOM 5606 CA TYR A 757 24.380 -15.727 -14.218 1.00 15.52 0.180 C +ATOM 5607 C TYR A 757 23.016 -15.031 -14.154 1.00 14.73 0.241 C +ATOM 5608 O TYR A 757 22.506 -14.652 -15.208 1.00 16.34 -0.271 OA +ATOM 5609 CB TYR A 757 24.280 -17.022 -15.049 1.00 17.13 0.073 C +ATOM 5610 CG TYR A 757 25.599 -17.688 -15.382 1.00 18.34 -0.056 A +ATOM 5611 CD1 TYR A 757 26.569 -17.001 -16.140 1.00 18.83 0.010 A +ATOM 5612 CD2 TYR A 757 25.858 -18.998 -14.933 1.00 20.49 0.010 A +ATOM 5613 CE1 TYR A 757 27.798 -17.618 -16.437 1.00 23.02 0.037 A +ATOM 5614 CE2 TYR A 757 27.077 -19.624 -15.250 1.00 21.96 0.037 A +ATOM 5615 CZ TYR A 757 28.053 -18.929 -15.993 1.00 22.10 0.065 A +ATOM 5616 OH TYR A 757 29.245 -19.525 -16.281 1.00 25.34 -0.361 OA +ATOM 5617 H TYR A 757 24.579 -16.643 -12.309 1.00 14.64 0.163 HD +ATOM 5618 HH TYR A 757 29.260 -20.445 -16.069 1.00 25.34 0.217 HD +ATOM 5619 N ASP A 758 22.414 -14.836 -12.972 1.00 13.84 -0.345 N +ATOM 5620 CA ASP A 758 21.139 -14.126 -12.837 1.00 13.48 0.186 C +ATOM 5621 C ASP A 758 21.341 -12.613 -13.043 1.00 13.42 0.241 C +ATOM 5622 O ASP A 758 22.405 -12.076 -12.735 1.00 13.47 -0.271 OA +ATOM 5623 CB ASP A 758 20.554 -14.423 -11.442 1.00 13.18 0.147 C +ATOM 5624 CG ASP A 758 19.101 -14.013 -11.216 1.00 16.16 0.175 C +ATOM 5625 OD1 ASP A 758 18.397 -13.670 -12.190 1.00 17.22 -0.648 OA +ATOM 5626 OD2 ASP A 758 18.701 -14.088 -10.040 1.00 17.20 -0.648 OA +ATOM 5627 H ASP A 758 22.872 -15.144 -12.124 1.00 13.84 0.163 HD +ATOM 5628 N SER A 759 20.320 -11.940 -13.588 1.00 13.12 -0.344 N +ATOM 5629 CA SER A 759 20.327 -10.511 -13.889 1.00 13.91 0.200 C +ATOM 5630 C SER A 759 20.048 -9.626 -12.659 1.00 13.72 0.243 C +ATOM 5631 O SER A 759 20.455 -8.464 -12.665 1.00 15.99 -0.271 OA +ATOM 5632 CB SER A 759 19.253 -10.240 -14.964 1.00 13.84 0.199 C +ATOM 5633 OG SER A 759 17.939 -10.517 -14.517 1.00 14.51 -0.398 OA +ATOM 5634 H SER A 759 19.471 -12.453 -13.784 1.00 13.12 0.163 HD +ATOM 5635 HG SER A 759 17.772 -11.442 -14.639 1.00 14.51 0.209 HD +ATOM 5636 N ASP A 760 19.367 -10.145 -11.621 1.00 12.38 -0.345 N +ATOM 5637 CA ASP A 760 18.971 -9.367 -10.451 1.00 10.79 0.186 C +ATOM 5638 C ASP A 760 20.030 -9.483 -9.344 1.00 10.23 0.241 C +ATOM 5639 O ASP A 760 20.313 -10.581 -8.867 1.00 10.02 -0.271 OA +ATOM 5640 CB ASP A 760 17.608 -9.879 -9.940 1.00 10.89 0.147 C +ATOM 5641 CG ASP A 760 17.089 -9.022 -8.785 1.00 11.35 0.175 C +ATOM 5642 OD1 ASP A 760 16.624 -7.898 -9.070 1.00 13.06 -0.648 OA +ATOM 5643 OD2 ASP A 760 17.212 -9.469 -7.626 1.00 10.68 -0.648 OA +ATOM 5644 H ASP A 760 19.070 -11.110 -11.670 1.00 12.38 0.163 HD +ATOM 5645 N ALA A 761 20.569 -8.330 -8.916 1.00 10.78 -0.346 N +ATOM 5646 CA ALA A 761 21.611 -8.194 -7.902 1.00 9.44 0.172 C +ATOM 5647 C ALA A 761 21.223 -8.730 -6.518 1.00 8.61 0.240 C +ATOM 5648 O ALA A 761 22.088 -9.301 -5.856 1.00 7.11 -0.271 OA +ATOM 5649 CB ALA A 761 22.008 -6.717 -7.787 1.00 10.73 0.042 C +ATOM 5650 H ALA A 761 20.258 -7.477 -9.361 1.00 10.78 0.163 HD +ATOM 5651 N PHE A 762 19.950 -8.586 -6.092 1.00 8.41 -0.346 N +ATOM 5652 CA PHE A 762 19.465 -9.140 -4.827 1.00 8.21 0.180 C +ATOM 5653 C PHE A 762 19.436 -10.675 -4.860 1.00 7.67 0.241 C +ATOM 5654 O PHE A 762 19.875 -11.272 -3.886 1.00 8.28 -0.271 OA +ATOM 5655 CB PHE A 762 18.073 -8.598 -4.417 1.00 8.29 0.073 C +ATOM 5656 CG PHE A 762 17.468 -9.383 -3.257 1.00 7.49 -0.056 A +ATOM 5657 CD1 PHE A 762 18.024 -9.287 -1.964 1.00 7.42 0.007 A +ATOM 5658 CD2 PHE A 762 16.481 -10.357 -3.518 1.00 8.17 0.007 A +ATOM 5659 CE1 PHE A 762 17.615 -10.179 -0.954 1.00 8.65 0.001 A +ATOM 5660 CE2 PHE A 762 16.058 -11.235 -2.504 1.00 8.85 0.001 A +ATOM 5661 CZ PHE A 762 16.632 -11.148 -1.223 1.00 7.18 0.000 A +ATOM 5662 H PHE A 762 19.283 -8.119 -6.692 1.00 8.41 0.163 HD +ATOM 5663 N VAL A 763 18.906 -11.319 -5.913 1.00 7.96 -0.346 N +ATOM 5664 CA VAL A 763 18.794 -12.782 -5.955 1.00 8.37 0.180 C +ATOM 5665 C VAL A 763 20.171 -13.460 -6.094 1.00 8.96 0.241 C +ATOM 5666 O VAL A 763 20.332 -14.563 -5.580 1.00 8.61 -0.271 OA +ATOM 5667 CB VAL A 763 17.812 -13.224 -7.063 1.00 9.37 0.009 C +ATOM 5668 CG1 VAL A 763 17.739 -14.757 -7.223 1.00 9.63 0.012 C +ATOM 5669 CG2 VAL A 763 16.400 -12.701 -6.770 1.00 8.98 0.012 C +ATOM 5670 H VAL A 763 18.516 -10.783 -6.679 1.00 7.96 0.163 HD +ATOM 5671 N ARG A 764 21.176 -12.786 -6.681 1.00 8.30 -0.346 N +ATOM 5672 CA ARG A 764 22.571 -13.232 -6.670 1.00 8.33 0.176 C +ATOM 5673 C ARG A 764 23.154 -13.156 -5.248 1.00 9.26 0.241 C +ATOM 5674 O ARG A 764 23.702 -14.140 -4.757 1.00 8.61 -0.271 OA +ATOM 5675 CB ARG A 764 23.424 -12.327 -7.572 1.00 8.60 0.036 C +ATOM 5676 CG ARG A 764 23.099 -12.372 -9.065 1.00 11.10 0.023 C +ATOM 5677 CD ARG A 764 23.961 -11.370 -9.839 1.00 13.03 0.138 C +ATOM 5678 NE ARG A 764 25.267 -11.960 -10.154 1.00 15.07 -0.227 N +ATOM 5679 CZ ARG A 764 26.301 -11.328 -10.725 1.00 18.58 0.665 C +ATOM 5680 NH1 ARG A 764 26.220 -10.042 -11.091 1.00 20.03 -0.235 N +ATOM 5681 NH2 ARG A 764 27.436 -12.006 -10.931 1.00 21.15 -0.235 N +ATOM 5682 H ARG A 764 20.972 -11.887 -7.095 1.00 8.30 0.163 HD +ATOM 5683 HE ARG A 764 25.384 -12.937 -9.914 1.00 15.07 0.177 HD +ATOM 5684 HH11 ARG A 764 25.364 -9.525 -10.940 1.00 20.03 0.174 HD +ATOM 5685 HH12 ARG A 764 27.002 -9.577 -11.528 1.00 20.03 0.174 HD +ATOM 5686 HH21 ARG A 764 27.496 -12.977 -10.654 1.00 21.15 0.174 HD +ATOM 5687 HH22 ARG A 764 28.225 -11.566 -11.384 1.00 21.15 0.174 HD +ATOM 5688 N TYR A 765 22.986 -11.997 -4.586 1.00 9.67 -0.346 N +ATOM 5689 CA TYR A 765 23.338 -11.710 -3.194 1.00 9.72 0.180 C +ATOM 5690 C TYR A 765 22.675 -12.691 -2.212 1.00 9.69 0.241 C +ATOM 5691 O TYR A 765 23.347 -13.184 -1.313 1.00 8.78 -0.271 OA +ATOM 5692 CB TYR A 765 22.977 -10.232 -2.906 1.00 10.72 0.073 C +ATOM 5693 CG TYR A 765 22.799 -9.797 -1.463 1.00 11.32 -0.056 A +ATOM 5694 CD1 TYR A 765 23.886 -9.279 -0.731 1.00 14.61 0.010 A +ATOM 5695 CD2 TYR A 765 21.522 -9.872 -0.868 1.00 11.05 0.010 A +ATOM 5696 CE1 TYR A 765 23.693 -8.839 0.593 1.00 15.80 0.037 A +ATOM 5697 CE2 TYR A 765 21.331 -9.443 0.456 1.00 13.20 0.037 A +ATOM 5698 CZ TYR A 765 22.418 -8.929 1.185 1.00 12.40 0.065 A +ATOM 5699 OH TYR A 765 22.225 -8.524 2.469 1.00 16.25 -0.361 OA +ATOM 5700 H TYR A 765 22.518 -11.251 -5.084 1.00 9.67 0.163 HD +ATOM 5701 HH TYR A 765 23.007 -8.211 2.908 1.00 16.25 0.217 HD +ATOM 5702 N ASN A 766 21.381 -12.995 -2.404 1.00 8.17 -0.346 N +ATOM 5703 CA ASN A 766 20.593 -13.874 -1.550 1.00 8.73 0.185 C +ATOM 5704 C ASN A 766 20.930 -15.345 -1.814 1.00 9.10 0.241 C +ATOM 5705 O ASN A 766 20.921 -16.123 -0.868 1.00 9.62 -0.271 OA +ATOM 5706 CB ASN A 766 19.086 -13.652 -1.808 1.00 9.66 0.137 C +ATOM 5707 CG ASN A 766 18.217 -14.315 -0.731 1.00 9.27 0.217 C +ATOM 5708 ND2 ASN A 766 17.109 -14.946 -1.115 1.00 8.99 -0.370 N +ATOM 5709 OD1 ASN A 766 18.576 -14.301 0.443 1.00 8.96 -0.274 OA +ATOM 5710 H ASN A 766 20.891 -12.525 -3.156 1.00 8.17 0.163 HD +ATOM 5711 1HD2 ASN A 766 16.844 -14.974 -2.095 1.00 8.99 0.159 HD +ATOM 5712 2HD2 ASN A 766 16.550 -15.428 -0.426 1.00 8.99 0.159 HD +ATOM 5713 N SER A 767 21.283 -15.730 -3.050 1.00 8.40 -0.344 N +ATOM 5714 CA SER A 767 21.769 -17.073 -3.360 1.00 9.20 0.200 C +ATOM 5715 C SER A 767 23.123 -17.341 -2.678 1.00 8.98 0.243 C +ATOM 5716 O SER A 767 23.330 -18.442 -2.178 1.00 10.45 -0.271 OA +ATOM 5717 CB SER A 767 21.905 -17.248 -4.880 1.00 9.55 0.199 C +ATOM 5718 OG SER A 767 20.635 -17.383 -5.478 1.00 11.89 -0.398 OA +ATOM 5719 H SER A 767 21.258 -15.053 -3.801 1.00 8.40 0.163 HD +ATOM 5720 HG SER A 767 20.229 -16.525 -5.488 1.00 11.89 0.209 HD +ATOM 5721 N CYS A 768 23.990 -16.315 -2.574 1.00 9.73 -0.345 N +ATOM 5722 CA CYS A 768 25.241 -16.331 -1.811 1.00 9.53 0.185 C +ATOM 5723 C CYS A 768 24.974 -16.448 -0.299 1.00 9.91 0.242 C +ATOM 5724 O CYS A 768 25.641 -17.241 0.364 1.00 8.90 -0.271 OA +ATOM 5725 CB CYS A 768 26.030 -15.036 -2.105 1.00 11.24 0.105 C +ATOM 5726 SG CYS A 768 27.776 -15.204 -1.652 1.00 13.19 -0.180 SA +ATOM 5727 H CYS A 768 23.735 -15.440 -3.012 1.00 9.73 0.163 HD +ATOM 5728 HG CYS A 768 27.562 -15.483 -0.362 1.00 13.19 0.101 HD +ATOM 5729 N THR A 769 23.974 -15.710 0.224 1.00 8.05 -0.344 N +ATOM 5730 CA THR A 769 23.522 -15.728 1.621 1.00 7.77 0.205 C +ATOM 5731 C THR A 769 22.980 -17.113 2.011 1.00 7.81 0.243 C +ATOM 5732 O THR A 769 23.261 -17.579 3.111 1.00 8.15 -0.271 OA +ATOM 5733 CB THR A 769 22.410 -14.663 1.838 1.00 8.40 0.146 C +ATOM 5734 CG2 THR A 769 21.869 -14.581 3.275 1.00 9.56 0.042 C +ATOM 5735 OG1 THR A 769 22.885 -13.374 1.526 1.00 8.12 -0.393 OA +ATOM 5736 H THR A 769 23.497 -15.062 -0.390 1.00 8.05 0.163 HD +ATOM 5737 HG1 THR A 769 23.482 -13.093 2.207 1.00 8.12 0.210 HD +ATOM 5738 N ASN A 770 22.222 -17.767 1.115 1.00 7.58 -0.345 N +ATOM 5739 CA ASN A 770 21.594 -19.071 1.332 1.00 8.76 0.185 C +ATOM 5740 C ASN A 770 22.617 -20.221 1.290 1.00 9.21 0.241 C +ATOM 5741 O ASN A 770 22.474 -21.161 2.072 1.00 10.07 -0.271 OA +ATOM 5742 CB ASN A 770 20.511 -19.331 0.255 1.00 9.56 0.137 C +ATOM 5743 CG ASN A 770 19.286 -18.403 0.262 1.00 11.04 0.217 C +ATOM 5744 ND2 ASN A 770 19.022 -17.677 1.346 1.00 12.02 -0.370 N +ATOM 5745 OD1 ASN A 770 18.560 -18.344 -0.725 1.00 13.31 -0.274 OA +ATOM 5746 H ASN A 770 22.019 -17.301 0.239 1.00 7.58 0.163 HD +ATOM 5747 1HD2 ASN A 770 19.609 -17.732 2.167 1.00 12.02 0.159 HD +ATOM 5748 2HD2 ASN A 770 18.220 -17.058 1.350 1.00 12.02 0.159 HD +ATOM 5749 N ILE A 771 23.666 -20.139 0.445 1.00 8.21 -0.346 N +ATOM 5750 CA ILE A 771 24.785 -21.094 0.444 1.00 9.36 0.180 C +ATOM 5751 C ILE A 771 25.605 -20.933 1.739 1.00 9.27 0.241 C +ATOM 5752 O ILE A 771 25.932 -21.940 2.367 1.00 10.15 -0.271 OA +ATOM 5753 CB ILE A 771 25.698 -20.918 -0.807 1.00 11.13 0.013 C +ATOM 5754 CG1 ILE A 771 24.952 -21.187 -2.133 1.00 9.91 0.002 C +ATOM 5755 CG2 ILE A 771 26.932 -21.846 -0.752 1.00 11.14 0.012 C +ATOM 5756 CD1 ILE A 771 25.622 -20.524 -3.346 1.00 9.97 0.005 C +ATOM 5757 H ILE A 771 23.721 -19.352 -0.187 1.00 8.21 0.163 HD +ATOM 5758 N TYR A 772 25.886 -19.684 2.163 1.00 8.71 -0.346 N +ATOM 5759 CA TYR A 772 26.556 -19.374 3.426 1.00 9.28 0.180 C +ATOM 5760 C TYR A 772 25.769 -19.862 4.645 1.00 8.76 0.241 C +ATOM 5761 O TYR A 772 26.374 -20.450 5.533 1.00 8.90 -0.271 OA +ATOM 5762 CB TYR A 772 26.813 -17.857 3.576 1.00 8.67 0.073 C +ATOM 5763 CG TYR A 772 28.094 -17.327 2.961 1.00 9.12 -0.056 A +ATOM 5764 CD1 TYR A 772 29.330 -17.926 3.279 1.00 9.64 0.010 A +ATOM 5765 CD2 TYR A 772 28.065 -16.190 2.128 1.00 9.54 0.010 A +ATOM 5766 CE1 TYR A 772 30.520 -17.417 2.734 1.00 10.07 0.037 A +ATOM 5767 CE2 TYR A 772 29.260 -15.672 1.595 1.00 11.22 0.037 A +ATOM 5768 CZ TYR A 772 30.487 -16.299 1.883 1.00 10.01 0.065 A +ATOM 5769 OH TYR A 772 31.646 -15.831 1.340 1.00 11.55 -0.361 OA +ATOM 5770 H TYR A 772 25.603 -18.903 1.585 1.00 8.71 0.163 HD +ATOM 5771 HH TYR A 772 31.495 -15.148 0.697 1.00 11.55 0.217 HD +ATOM 5772 N MET A 773 24.442 -19.651 4.690 1.00 8.95 -0.346 N +ATOM 5773 CA MET A 773 23.601 -20.039 5.821 1.00 9.36 0.177 C +ATOM 5774 C MET A 773 23.483 -21.555 5.984 1.00 9.80 0.241 C +ATOM 5775 O MET A 773 23.503 -22.027 7.116 1.00 10.69 -0.271 OA +ATOM 5776 CB MET A 773 22.186 -19.449 5.691 1.00 9.51 0.045 C +ATOM 5777 CG MET A 773 22.054 -18.017 6.223 1.00 9.57 0.076 C +ATOM 5778 SD MET A 773 22.649 -17.659 7.895 1.00 12.34 -0.173 SA +ATOM 5779 CE MET A 773 21.803 -18.947 8.841 1.00 14.45 0.089 C +ATOM 5780 H MET A 773 24.006 -19.144 3.931 1.00 8.95 0.163 HD +ATOM 5781 N LYS A 774 23.417 -22.320 4.884 1.00 9.13 -0.346 N +ATOM 5782 CA LYS A 774 23.416 -23.781 4.925 1.00 10.40 0.176 C +ATOM 5783 C LYS A 774 24.756 -24.325 5.457 1.00 9.59 0.241 C +ATOM 5784 O LYS A 774 24.761 -25.291 6.217 1.00 11.49 -0.271 OA +ATOM 5785 CB LYS A 774 23.145 -24.309 3.508 1.00 10.07 0.035 C +ATOM 5786 CG LYS A 774 22.949 -25.834 3.441 1.00 13.23 0.004 C +ATOM 5787 CD LYS A 774 22.961 -26.322 1.998 1.00 16.69 0.027 C +ATOM 5788 CE LYS A 774 23.018 -27.846 1.868 1.00 23.12 0.229 C +ATOM 5789 NZ LYS A 774 23.205 -28.236 0.465 1.00 28.42 -0.079 N +ATOM 5790 H LYS A 774 23.410 -21.873 3.978 1.00 9.13 0.163 HD +ATOM 5791 HZ1 LYS A 774 23.354 -29.235 0.405 1.00 28.42 0.274 HD +ATOM 5792 HZ2 LYS A 774 22.388 -27.978 -0.073 1.00 28.42 0.274 HD +ATOM 5793 HZ3 LYS A 774 24.009 -27.749 0.090 1.00 28.42 0.274 HD +ATOM 5794 N GLN A 775 25.877 -23.677 5.100 1.00 8.85 -0.346 N +ATOM 5795 CA GLN A 775 27.216 -24.023 5.564 1.00 8.35 0.177 C +ATOM 5796 C GLN A 775 27.422 -23.645 7.042 1.00 8.61 0.241 C +ATOM 5797 O GLN A 775 27.979 -24.446 7.791 1.00 8.26 -0.271 OA +ATOM 5798 CB GLN A 775 28.237 -23.287 4.669 1.00 8.54 0.044 C +ATOM 5799 CG GLN A 775 29.701 -23.703 4.890 1.00 9.98 0.105 C +ATOM 5800 CD GLN A 775 29.974 -25.169 4.545 1.00 12.81 0.215 C +ATOM 5801 NE2 GLN A 775 30.839 -25.819 5.317 1.00 12.72 -0.370 N +ATOM 5802 OE1 GLN A 775 29.418 -25.711 3.593 1.00 12.29 -0.274 OA +ATOM 5803 H GLN A 775 25.793 -22.883 4.480 1.00 8.85 0.163 HD +ATOM 5804 1HE2 GLN A 775 31.240 -25.360 6.127 1.00 12.72 0.159 HD +ATOM 5805 2HE2 GLN A 775 31.069 -26.783 5.120 1.00 12.72 0.159 HD +ATOM 5806 N ILE A 776 26.937 -22.461 7.463 1.00 6.61 -0.346 N +ATOM 5807 CA ILE A 776 26.933 -21.965 8.843 1.00 6.85 0.180 C +ATOM 5808 C ILE A 776 26.141 -22.902 9.763 1.00 8.19 0.241 C +ATOM 5809 O ILE A 776 26.689 -23.315 10.778 1.00 7.42 -0.271 OA +ATOM 5810 CB ILE A 776 26.435 -20.487 8.899 1.00 6.71 0.013 C +ATOM 5811 CG1 ILE A 776 27.499 -19.530 8.312 1.00 7.92 0.002 C +ATOM 5812 CG2 ILE A 776 26.032 -20.001 10.312 1.00 8.08 0.012 C +ATOM 5813 CD1 ILE A 776 26.952 -18.156 7.900 1.00 6.53 0.005 C +ATOM 5814 H ILE A 776 26.520 -21.856 6.767 1.00 6.61 0.163 HD +ATOM 5815 N LEU A 777 24.896 -23.271 9.413 1.00 8.93 -0.346 N +ATOM 5816 CA LEU A 777 24.062 -24.158 10.228 1.00 10.06 0.185 C +ATOM 5817 C LEU A 777 24.636 -25.583 10.336 1.00 10.84 0.340 C +ATOM 5818 O LEU A 777 24.545 -26.175 11.409 1.00 11.60 -0.263 OA +ATOM 5819 CB LEU A 777 22.620 -24.225 9.674 1.00 10.30 0.038 C +ATOM 5820 CG LEU A 777 21.801 -22.916 9.743 1.00 10.81 -0.020 C +ATOM 5821 CD1 LEU A 777 20.427 -23.121 9.094 1.00 16.09 0.009 C +ATOM 5822 CD2 LEU A 777 21.627 -22.356 11.158 1.00 10.94 0.009 C +ATOM 5823 H LEU A 777 24.496 -22.900 8.560 1.00 8.93 0.163 HD +ATOM 5824 N MET A 778 25.264 -26.106 9.265 1.00 10.57 0.018 N +ATOM 5825 CA AMET A 778 25.916 -27.419 9.234 0.50 10.73 0.283 C +ATOM 5826 CA BMET A 778 25.905 -27.382 9.253 0.50 11.62 0.283 C +ATOM 5827 C MET A 778 27.133 -27.458 10.174 1.00 10.77 0.204 C +ATOM 5828 O MET A 778 27.191 -28.324 11.045 1.00 10.78 -0.279 OA +ATOM 5829 CB AMET A 778 26.326 -27.746 7.779 0.50 11.09 0.053 C +ATOM 5830 CB BMET A 778 26.310 -27.787 7.833 0.50 11.45 0.053 C +ATOM 5831 CG AMET A 778 27.010 -29.112 7.573 0.50 12.83 0.076 C +ATOM 5832 CG BMET A 778 26.381 -29.287 7.603 0.50 14.21 0.076 C +ATOM 5833 SD AMET A 778 26.050 -30.578 8.042 0.50 20.40 -0.173 SA +ATOM 5834 SD BMET A 778 27.073 -29.736 5.995 0.50 15.47 -0.173 SA +ATOM 5835 CE AMET A 778 24.707 -30.506 6.833 0.50 18.84 0.089 C +ATOM 5836 CE BMET A 778 25.928 -28.984 4.839 0.50 8.77 0.089 C +ATOM 5837 H MET A 778 25.313 -25.548 8.425 1.00 10.57 0.292 HD +ATOM 5838 N ASN A 779 28.071 -26.507 10.019 1.00 9.44 -0.351 N +ATOM 5839 CA ASN A 779 29.293 -26.399 10.823 1.00 8.36 0.184 C +ATOM 5840 C ASN A 779 29.022 -25.986 12.273 1.00 7.91 0.241 C +ATOM 5841 O ASN A 779 29.731 -26.452 13.161 1.00 8.81 -0.271 OA +ATOM 5842 CB ASN A 779 30.268 -25.386 10.187 1.00 7.59 0.137 C +ATOM 5843 CG ASN A 779 30.868 -25.810 8.844 1.00 7.36 0.217 C +ATOM 5844 ND2 ASN A 779 31.061 -27.110 8.605 1.00 8.71 -0.370 N +ATOM 5845 OD1 ASN A 779 31.197 -24.949 8.033 1.00 9.59 -0.274 OA +ATOM 5846 H ASN A 779 27.940 -25.821 9.287 1.00 9.44 0.163 HD +ATOM 5847 1HD2 ASN A 779 30.786 -27.812 9.285 1.00 8.71 0.159 HD +ATOM 5848 2HD2 ASN A 779 31.483 -27.401 7.733 1.00 8.71 0.159 HD +ATOM 5849 N TYR A 780 27.976 -25.180 12.524 1.00 7.95 -0.346 N +ATOM 5850 CA TYR A 780 27.496 -24.824 13.858 1.00 7.85 0.180 C +ATOM 5851 C TYR A 780 27.034 -26.062 14.633 1.00 8.48 0.241 C +ATOM 5852 O TYR A 780 27.446 -26.227 15.777 1.00 9.87 -0.271 OA +ATOM 5853 CB TYR A 780 26.375 -23.765 13.757 1.00 8.18 0.073 C +ATOM 5854 CG TYR A 780 25.790 -23.347 15.091 1.00 8.77 -0.056 A +ATOM 5855 CD1 TYR A 780 26.348 -22.269 15.808 1.00 10.93 0.010 A +ATOM 5856 CD2 TYR A 780 24.727 -24.085 15.648 1.00 10.26 0.010 A +ATOM 5857 CE1 TYR A 780 25.884 -21.975 17.104 1.00 9.59 0.037 A +ATOM 5858 CE2 TYR A 780 24.269 -23.792 16.940 1.00 10.65 0.037 A +ATOM 5859 CZ TYR A 780 24.863 -22.754 17.680 1.00 9.26 0.065 A +ATOM 5860 OH TYR A 780 24.447 -22.510 18.953 1.00 11.99 -0.361 OA +ATOM 5861 H TYR A 780 27.456 -24.812 11.738 1.00 7.95 0.163 HD +ATOM 5862 HH TYR A 780 23.726 -23.070 19.217 1.00 11.99 0.217 HD +ATOM 5863 N ASN A 781 26.226 -26.938 14.012 1.00 9.55 -0.346 N +ATOM 5864 CA ASN A 781 25.765 -28.186 14.622 1.00 11.46 0.185 C +ATOM 5865 C ASN A 781 26.898 -29.204 14.834 1.00 11.50 0.241 C +ATOM 5866 O ASN A 781 26.835 -29.954 15.803 1.00 12.36 -0.271 OA +ATOM 5867 CB ASN A 781 24.647 -28.829 13.768 1.00 12.49 0.137 C +ATOM 5868 CG ASN A 781 23.301 -28.095 13.797 1.00 20.60 0.217 C +ATOM 5869 ND2 ASN A 781 22.856 -27.632 14.968 1.00 27.46 -0.370 N +ATOM 5870 OD1 ASN A 781 22.640 -27.983 12.767 1.00 26.11 -0.274 OA +ATOM 5871 H ASN A 781 25.935 -26.745 13.062 1.00 9.55 0.163 HD +ATOM 5872 1HD2 ASN A 781 23.397 -27.762 15.810 1.00 27.46 0.159 HD +ATOM 5873 2HD2 ASN A 781 21.964 -27.158 15.008 1.00 27.46 0.159 HD +ATOM 5874 N GLU A 782 27.945 -29.202 13.990 1.00 11.21 -0.346 N +ATOM 5875 CA GLU A 782 29.119 -30.073 14.121 1.00 12.62 0.177 C +ATOM 5876 C GLU A 782 30.044 -29.602 15.259 1.00 12.77 0.241 C +ATOM 5877 O GLU A 782 30.514 -30.439 16.029 1.00 12.33 -0.271 OA +ATOM 5878 CB GLU A 782 29.905 -30.064 12.794 1.00 12.55 0.045 C +ATOM 5879 CG GLU A 782 29.196 -30.879 11.697 1.00 14.39 0.116 C +ATOM 5880 CD GLU A 782 29.736 -30.675 10.280 1.00 13.42 0.172 C +ATOM 5881 OE1 GLU A 782 30.324 -29.608 9.998 1.00 11.29 -0.648 OA +ATOM 5882 OE2 GLU A 782 29.530 -31.605 9.474 1.00 17.09 -0.648 OA +ATOM 5883 H GLU A 782 27.928 -28.562 13.208 1.00 11.21 0.163 HD +ATOM 5884 N PHE A 783 30.260 -28.281 15.409 1.00 11.06 -0.346 N +ATOM 5885 CA PHE A 783 31.007 -27.686 16.522 1.00 12.58 0.180 C +ATOM 5886 C PHE A 783 30.233 -27.781 17.850 1.00 12.85 0.241 C +ATOM 5887 O PHE A 783 30.854 -28.018 18.885 1.00 13.71 -0.271 OA +ATOM 5888 CB PHE A 783 31.315 -26.195 16.234 1.00 12.18 0.073 C +ATOM 5889 CG PHE A 783 32.570 -25.910 15.426 1.00 12.51 -0.056 A +ATOM 5890 CD1 PHE A 783 33.831 -26.294 15.928 1.00 13.52 0.007 A +ATOM 5891 CD2 PHE A 783 32.496 -25.205 14.206 1.00 11.17 0.007 A +ATOM 5892 CE1 PHE A 783 35.006 -25.976 15.220 1.00 12.62 0.001 A +ATOM 5893 CE2 PHE A 783 33.669 -24.902 13.490 1.00 10.46 0.001 A +ATOM 5894 CZ PHE A 783 34.924 -25.277 14.001 1.00 11.42 0.000 A +ATOM 5895 H PHE A 783 29.861 -27.648 14.727 1.00 11.06 0.163 HD +ATOM 5896 N LEU A 784 28.895 -27.638 17.831 1.00 12.35 -0.346 N +ATOM 5897 CA LEU A 784 28.024 -27.734 19.006 1.00 12.95 0.177 C +ATOM 5898 C LEU A 784 27.966 -29.174 19.537 1.00 13.87 0.241 C +ATOM 5899 O LEU A 784 28.053 -29.372 20.745 1.00 14.79 -0.271 OA +ATOM 5900 CB LEU A 784 26.597 -27.263 18.631 1.00 12.73 0.038 C +ATOM 5901 CG LEU A 784 25.570 -27.230 19.785 1.00 13.43 -0.020 C +ATOM 5902 CD1 LEU A 784 25.927 -26.189 20.860 1.00 16.56 0.009 C +ATOM 5903 CD2 LEU A 784 24.158 -26.987 19.241 1.00 14.41 0.009 C +ATOM 5904 H LEU A 784 28.451 -27.419 16.948 1.00 12.35 0.163 HD +ATOM 5905 N LYS A 785 27.855 -30.172 18.643 1.00 14.31 -0.346 N +ATOM 5906 CA LYS A 785 27.820 -31.596 18.978 1.00 17.03 0.176 C +ATOM 5907 C LYS A 785 29.173 -32.078 19.532 1.00 17.12 0.241 C +ATOM 5908 O LYS A 785 29.188 -32.889 20.454 1.00 17.99 -0.271 OA +ATOM 5909 CB LYS A 785 27.431 -32.381 17.708 1.00 16.99 0.035 C +ATOM 5910 CG LYS A 785 27.080 -33.858 17.939 1.00 24.45 0.004 C +ATOM 5911 CD LYS A 785 26.603 -34.547 16.649 1.00 30.90 0.027 C +ATOM 5912 CE LYS A 785 25.918 -35.902 16.886 1.00 35.60 0.229 C +ATOM 5913 NZ LYS A 785 26.843 -36.906 17.438 1.00 38.89 -0.079 N +ATOM 5914 H LYS A 785 27.775 -29.930 17.664 1.00 14.31 0.163 HD +ATOM 5915 HZ1 LYS A 785 27.098 -36.635 18.384 1.00 38.89 0.274 HD +ATOM 5916 HZ2 LYS A 785 26.389 -37.806 17.474 1.00 38.89 0.274 HD +ATOM 5917 HZ3 LYS A 785 27.676 -36.966 16.870 1.00 38.89 0.274 HD +ATOM 5918 N ALA A 786 30.292 -31.527 19.027 1.00 17.59 -0.346 N +ATOM 5919 CA ALA A 786 31.643 -31.777 19.527 1.00 18.01 0.172 C +ATOM 5920 C ALA A 786 31.896 -31.142 20.902 1.00 18.32 0.240 C +ATOM 5921 O ALA A 786 32.624 -31.722 21.708 1.00 19.61 -0.271 OA +ATOM 5922 CB ALA A 786 32.654 -31.209 18.522 1.00 17.18 0.042 C +ATOM 5923 H ALA A 786 30.196 -30.855 18.279 1.00 17.59 0.163 HD +ATOM 5924 N LYS A 787 31.270 -29.988 21.183 1.00 17.23 -0.346 N +ATOM 5925 CA LYS A 787 31.344 -29.282 22.459 1.00 18.06 0.176 C +ATOM 5926 C LYS A 787 30.509 -29.996 23.539 1.00 18.40 0.241 C +ATOM 5927 O LYS A 787 30.995 -30.160 24.658 1.00 20.11 -0.271 OA +ATOM 5928 CB LYS A 787 30.827 -27.841 22.251 1.00 17.13 0.035 C +ATOM 5929 CG LYS A 787 30.927 -26.947 23.498 1.00 19.32 0.004 C +ATOM 5930 CD LYS A 787 30.594 -25.482 23.197 1.00 22.81 0.027 C +ATOM 5931 CE LYS A 787 30.760 -24.594 24.435 1.00 24.83 0.229 C +ATOM 5932 NZ LYS A 787 30.621 -23.171 24.093 1.00 23.80 -0.079 N +ATOM 5933 H LYS A 787 30.694 -29.574 20.463 1.00 17.23 0.163 HD +ATOM 5934 HZ1 LYS A 787 29.680 -22.990 23.752 1.00 23.80 0.274 HD +ATOM 5935 HZ2 LYS A 787 30.776 -22.605 24.917 1.00 23.80 0.274 HD +ATOM 5936 HZ3 LYS A 787 31.291 -22.917 23.383 1.00 23.80 0.274 HD +ATOM 5937 N ASN A 788 29.280 -30.433 23.207 1.00 18.78 -0.346 N +ATOM 5938 CA ASN A 788 28.348 -31.085 24.133 1.00 19.77 0.185 C +ATOM 5939 C ASN A 788 28.800 -32.498 24.527 1.00 20.71 0.241 C +ATOM 5940 O ASN A 788 28.712 -32.852 25.701 1.00 21.55 -0.271 OA +ATOM 5941 CB ASN A 788 26.940 -31.208 23.503 1.00 19.29 0.137 C +ATOM 5942 CG ASN A 788 26.196 -29.884 23.313 1.00 20.43 0.217 C +ATOM 5943 ND2 ASN A 788 25.321 -29.842 22.308 1.00 21.23 -0.370 N +ATOM 5944 OD1 ASN A 788 26.403 -28.918 24.045 1.00 21.96 -0.274 OA +ATOM 5945 H ASN A 788 28.947 -30.247 22.269 1.00 18.78 0.163 HD +ATOM 5946 1HD2 ASN A 788 25.188 -30.651 21.718 1.00 21.23 0.159 HD +ATOM 5947 2HD2 ASN A 788 24.787 -28.999 22.145 1.00 21.23 0.159 HD +ATOM 5948 N GLU A 789 29.288 -33.294 23.560 1.00 20.69 -0.346 N +ATOM 5949 CA GLU A 789 29.738 -34.671 23.778 1.00 22.87 0.177 C +ATOM 5950 C GLU A 789 31.212 -34.737 24.217 1.00 23.30 0.241 C +ATOM 5951 O GLU A 789 31.677 -35.820 24.573 1.00 24.17 -0.271 OA +ATOM 5952 CB GLU A 789 29.577 -35.458 22.459 1.00 22.53 0.045 C +ATOM 5953 CG GLU A 789 28.099 -35.626 22.055 1.00 24.80 0.116 C +ATOM 5954 CD GLU A 789 27.876 -36.273 20.687 1.00 25.88 0.172 C +ATOM 5955 OE1 GLU A 789 28.834 -36.833 20.112 1.00 33.07 -0.648 OA +ATOM 5956 OE2 GLU A 789 26.719 -36.188 20.220 1.00 33.82 -0.648 OA +ATOM 5957 H GLU A 789 29.321 -32.941 22.613 1.00 20.69 0.163 HD +ATOM 5958 N LYS A 790 31.938 -33.600 24.206 1.00 22.19 -0.346 N +ATOM 5959 CA LYS A 790 33.326 -33.428 24.650 1.00 23.46 0.176 C +ATOM 5960 C LYS A 790 34.297 -34.275 23.806 1.00 22.72 0.241 C +ATOM 5961 O LYS A 790 35.144 -34.984 24.350 1.00 23.02 -0.271 OA +ATOM 5962 CB LYS A 790 33.482 -33.681 26.172 1.00 23.68 0.035 C +ATOM 5963 CG LYS A 790 32.700 -32.695 27.056 1.00 26.37 0.004 C +ATOM 5964 CD LYS A 790 32.906 -32.919 28.568 1.00 26.96 0.027 C +ATOM 5965 CE LYS A 790 34.351 -32.737 29.069 1.00 33.39 0.229 C +ATOM 5966 NZ LYS A 790 34.849 -31.372 28.832 1.00 34.91 -0.079 N +ATOM 5967 H LYS A 790 31.468 -32.765 23.886 1.00 22.19 0.163 HD +ATOM 5968 HZ1 LYS A 790 34.257 -30.706 29.308 1.00 34.91 0.274 HD +ATOM 5969 HZ2 LYS A 790 35.795 -31.292 29.177 1.00 34.91 0.274 HD +ATOM 5970 HZ3 LYS A 790 34.838 -31.178 27.840 1.00 34.91 0.274 HD +ATOM 5971 N LEU A 791 34.128 -34.246 22.474 1.00 21.15 -0.346 N +ATOM 5972 CA LEU A 791 34.851 -35.101 21.536 1.00 21.43 0.177 C +ATOM 5973 C LEU A 791 36.314 -34.656 21.407 1.00 21.51 0.241 C +ATOM 5974 O LEU A 791 36.600 -33.472 21.226 1.00 21.44 -0.271 OA +ATOM 5975 CB LEU A 791 34.183 -35.041 20.143 1.00 20.85 0.038 C +ATOM 5976 CG LEU A 791 32.719 -35.528 20.082 1.00 21.02 -0.020 C +ATOM 5977 CD1 LEU A 791 32.182 -35.462 18.643 1.00 21.35 0.009 C +ATOM 5978 CD2 LEU A 791 32.528 -36.945 20.649 1.00 21.55 0.009 C +ATOM 5979 H LEU A 791 33.428 -33.623 22.094 1.00 21.15 0.163 HD +ATOM 5980 N GLU A 792 37.224 -35.639 21.477 1.00 21.11 -0.346 N +ATOM 5981 CA GLU A 792 38.669 -35.481 21.309 1.00 22.51 0.177 C +ATOM 5982 C GLU A 792 39.048 -35.338 19.823 1.00 20.89 0.241 C +ATOM 5983 O GLU A 792 40.100 -34.780 19.514 1.00 21.62 -0.271 OA +ATOM 5984 CB GLU A 792 39.364 -36.751 21.854 1.00 24.12 0.045 C +ATOM 5985 CG GLU A 792 39.200 -36.979 23.373 1.00 30.40 0.116 C +ATOM 5986 CD GLU A 792 39.851 -35.901 24.246 1.00 36.18 0.172 C +ATOM 5987 OE1 GLU A 792 40.837 -35.286 23.785 1.00 38.49 -0.648 OA +ATOM 5988 OE2 GLU A 792 39.351 -35.718 25.377 1.00 40.32 -0.648 OA +ATOM 5989 H GLU A 792 36.888 -36.582 21.630 1.00 21.11 0.163 HD +ATOM 5990 N SER A 793 38.185 -35.820 18.915 1.00 19.66 -0.344 N +ATOM 5991 CA SER A 793 38.297 -35.694 17.469 1.00 18.00 0.200 C +ATOM 5992 C SER A 793 36.902 -35.675 16.836 1.00 17.18 0.243 C +ATOM 5993 O SER A 793 35.993 -36.366 17.299 1.00 17.53 -0.271 OA +ATOM 5994 CB SER A 793 39.267 -36.750 16.899 1.00 18.62 0.199 C +ATOM 5995 OG SER A 793 38.704 -38.049 16.883 1.00 20.07 -0.398 OA +ATOM 5996 H SER A 793 37.341 -36.255 19.261 1.00 19.66 0.163 HD +ATOM 5997 HG SER A 793 38.503 -38.298 17.774 1.00 20.07 0.209 HD +ATOM 5998 N PHE A 794 36.746 -34.876 15.774 1.00 15.77 -0.346 N +ATOM 5999 CA PHE A 794 35.520 -34.705 15.002 1.00 14.90 0.180 C +ATOM 6000 C PHE A 794 35.852 -34.157 13.611 1.00 14.73 0.241 C +ATOM 6001 O PHE A 794 36.924 -33.590 13.396 1.00 15.22 -0.271 OA +ATOM 6002 CB PHE A 794 34.481 -33.855 15.771 1.00 14.52 0.073 C +ATOM 6003 CG PHE A 794 34.862 -32.399 15.981 1.00 14.19 -0.056 A +ATOM 6004 CD1 PHE A 794 35.752 -32.045 17.017 1.00 15.96 0.007 A +ATOM 6005 CD2 PHE A 794 34.331 -31.395 15.142 1.00 12.87 0.007 A +ATOM 6006 CE1 PHE A 794 36.113 -30.698 17.210 1.00 15.39 0.001 A +ATOM 6007 CE2 PHE A 794 34.690 -30.048 15.340 1.00 15.66 0.001 A +ATOM 6008 CZ PHE A 794 35.582 -29.700 16.372 1.00 15.95 0.000 A +ATOM 6009 H PHE A 794 37.543 -34.345 15.451 1.00 15.77 0.163 HD +ATOM 6010 N GLN A 795 34.907 -34.317 12.677 1.00 14.15 -0.346 N +ATOM 6011 CA GLN A 795 34.986 -33.806 11.313 1.00 13.68 0.177 C +ATOM 6012 C GLN A 795 34.029 -32.621 11.152 1.00 13.64 0.241 C +ATOM 6013 O GLN A 795 32.934 -32.603 11.716 1.00 14.87 -0.271 OA +ATOM 6014 CB GLN A 795 34.580 -34.936 10.348 1.00 13.58 0.044 C +ATOM 6015 CG GLN A 795 35.679 -36.011 10.243 1.00 16.39 0.105 C +ATOM 6016 CD GLN A 795 35.142 -37.359 9.765 1.00 23.52 0.215 C +ATOM 6017 NE2 GLN A 795 35.387 -38.417 10.541 1.00 25.78 -0.370 N +ATOM 6018 OE1 GLN A 795 34.521 -37.448 8.709 1.00 22.53 -0.274 OA +ATOM 6019 H GLN A 795 34.065 -34.818 12.930 1.00 14.15 0.163 HD +ATOM 6020 1HE2 GLN A 795 35.883 -38.296 11.415 1.00 25.78 0.159 HD +ATOM 6021 2HE2 GLN A 795 35.055 -39.329 10.263 1.00 25.78 0.159 HD +ATOM 6022 N LEU A 796 34.459 -31.641 10.351 1.00 12.94 -0.346 N +ATOM 6023 CA LEU A 796 33.650 -30.529 9.869 1.00 11.16 0.177 C +ATOM 6024 C LEU A 796 33.453 -30.730 8.366 1.00 12.69 0.241 C +ATOM 6025 O LEU A 796 34.396 -31.111 7.672 1.00 13.24 -0.271 OA +ATOM 6026 CB LEU A 796 34.415 -29.211 10.108 1.00 10.88 0.038 C +ATOM 6027 CG LEU A 796 34.508 -28.809 11.594 1.00 10.67 -0.020 C +ATOM 6028 CD1 LEU A 796 35.675 -27.844 11.835 1.00 12.30 0.009 C +ATOM 6029 CD2 LEU A 796 33.188 -28.199 12.091 1.00 10.09 0.009 C +ATOM 6030 H LEU A 796 35.375 -31.736 9.938 1.00 12.94 0.163 HD +ATOM 6031 N THR A 797 32.244 -30.437 7.860 1.00 13.14 -0.344 N +ATOM 6032 CA THR A 797 31.918 -30.463 6.433 1.00 13.84 0.205 C +ATOM 6033 C THR A 797 32.650 -29.282 5.762 1.00 11.83 0.245 C +ATOM 6034 O THR A 797 32.414 -28.147 6.178 1.00 13.31 -0.271 OA +ATOM 6035 CB THR A 797 30.383 -30.307 6.254 1.00 15.59 0.146 C +ATOM 6036 CG2 THR A 797 29.921 -30.158 4.792 1.00 19.17 0.042 C +ATOM 6037 OG1 THR A 797 29.748 -31.474 6.728 1.00 18.43 -0.393 OA +ATOM 6038 H THR A 797 31.515 -30.148 8.503 1.00 13.14 0.163 HD +ATOM 6039 HG1 THR A 797 29.823 -31.505 7.677 1.00 18.43 0.210 HD +ATOM 6040 N PRO A 798 33.529 -29.503 4.755 1.00 10.98 -0.337 N +ATOM 6041 CA PRO A 798 34.174 -28.431 3.978 1.00 10.43 0.179 C +ATOM 6042 C PRO A 798 33.165 -27.479 3.320 1.00 10.25 0.241 C +ATOM 6043 O PRO A 798 32.036 -27.874 3.019 1.00 10.53 -0.271 OA +ATOM 6044 CB PRO A 798 34.975 -29.145 2.875 1.00 10.79 0.037 C +ATOM 6045 CG PRO A 798 35.190 -30.555 3.387 1.00 11.18 0.022 C +ATOM 6046 CD PRO A 798 34.027 -30.817 4.341 1.00 11.78 0.127 C +ATOM 6047 N VAL A 799 33.597 -26.243 3.039 1.00 10.00 -0.346 N +ATOM 6048 CA VAL A 799 32.864 -25.305 2.190 1.00 10.22 0.180 C +ATOM 6049 C VAL A 799 32.876 -25.850 0.750 1.00 10.34 0.241 C +ATOM 6050 O VAL A 799 33.894 -26.381 0.300 1.00 11.71 -0.271 OA +ATOM 6051 CB VAL A 799 33.509 -23.899 2.288 1.00 10.82 0.009 C +ATOM 6052 CG1 VAL A 799 32.803 -22.857 1.396 1.00 11.76 0.012 C +ATOM 6053 CG2 VAL A 799 33.547 -23.378 3.736 1.00 9.72 0.012 C +ATOM 6054 H VAL A 799 34.541 -25.993 3.303 1.00 10.00 0.163 HD +ATOM 6055 N ASN A 800 31.729 -25.734 0.054 1.00 11.01 -0.346 N +ATOM 6056 CA ASN A 800 31.494 -26.171 -1.325 1.00 12.09 0.185 C +ATOM 6057 C ASN A 800 32.567 -25.577 -2.255 1.00 11.84 0.241 C +ATOM 6058 O ASN A 800 32.744 -24.360 -2.304 1.00 12.47 -0.271 OA +ATOM 6059 CB ASN A 800 30.049 -25.770 -1.722 1.00 12.17 0.137 C +ATOM 6060 CG ASN A 800 29.588 -26.306 -3.084 1.00 14.86 0.217 C +ATOM 6061 ND2 ASN A 800 28.571 -27.166 -3.108 1.00 15.51 -0.370 N +ATOM 6062 OD1 ASN A 800 30.145 -25.949 -4.117 1.00 16.66 -0.274 OA +ATOM 6063 H ASN A 800 30.954 -25.268 0.508 1.00 11.01 0.163 HD +ATOM 6064 1HD2 ASN A 800 28.114 -27.451 -2.248 1.00 15.51 0.159 HD +ATOM 6065 2HD2 ASN A 800 28.238 -27.516 -3.998 1.00 15.51 0.159 HD +ATOM 6066 N ALA A 801 33.298 -26.448 -2.968 1.00 12.95 -0.346 N +ATOM 6067 CA ALA A 801 34.418 -26.077 -3.831 1.00 11.78 0.172 C +ATOM 6068 C ALA A 801 33.972 -25.246 -5.043 1.00 12.11 0.240 C +ATOM 6069 O ALA A 801 34.666 -24.307 -5.421 1.00 12.71 -0.271 OA +ATOM 6070 CB ALA A 801 35.116 -27.358 -4.313 1.00 14.20 0.042 C +ATOM 6071 H ALA A 801 33.107 -27.435 -2.855 1.00 12.95 0.163 HD +ATOM 6072 N GLN A 802 32.791 -25.547 -5.604 1.00 12.15 -0.346 N +ATOM 6073 CA GLN A 802 32.199 -24.851 -6.744 1.00 13.64 0.177 C +ATOM 6074 C GLN A 802 31.607 -23.488 -6.340 1.00 13.05 0.241 C +ATOM 6075 O GLN A 802 31.493 -22.615 -7.198 1.00 13.73 -0.271 OA +ATOM 6076 CB GLN A 802 31.095 -25.729 -7.383 1.00 14.81 0.044 C +ATOM 6077 CG GLN A 802 31.650 -26.977 -8.110 1.00 17.76 0.105 C +ATOM 6078 CD GLN A 802 32.079 -28.146 -7.213 1.00 25.58 0.215 C +ATOM 6079 NE2 GLN A 802 31.430 -28.344 -6.062 1.00 27.03 -0.370 N +ATOM 6080 OE1 GLN A 802 33.029 -28.850 -7.547 1.00 26.53 -0.274 OA +ATOM 6081 H GLN A 802 32.266 -26.317 -5.214 1.00 12.15 0.163 HD +ATOM 6082 1HE2 GLN A 802 30.652 -27.751 -5.805 1.00 27.03 0.159 HD +ATOM 6083 2HE2 GLN A 802 31.708 -29.105 -5.458 1.00 27.03 0.159 HD +ATOM 6084 N PHE A 803 31.290 -23.271 -5.050 1.00 12.46 -0.346 N +ATOM 6085 CA PHE A 803 30.920 -21.967 -4.496 1.00 11.50 0.180 C +ATOM 6086 C PHE A 803 32.160 -21.074 -4.344 1.00 11.69 0.241 C +ATOM 6087 O PHE A 803 32.073 -19.882 -4.625 1.00 11.99 -0.271 OA +ATOM 6088 CB PHE A 803 30.257 -22.160 -3.116 1.00 11.36 0.073 C +ATOM 6089 CG PHE A 803 29.919 -20.895 -2.342 1.00 9.89 -0.056 A +ATOM 6090 CD1 PHE A 803 29.164 -19.867 -2.945 1.00 11.52 0.007 A +ATOM 6091 CD2 PHE A 803 30.342 -20.756 -1.002 1.00 12.70 0.007 A +ATOM 6092 CE1 PHE A 803 28.813 -18.723 -2.206 1.00 11.49 0.001 A +ATOM 6093 CE2 PHE A 803 29.989 -19.611 -0.263 1.00 11.81 0.001 A +ATOM 6094 CZ PHE A 803 29.215 -18.600 -0.863 1.00 12.00 0.000 A +ATOM 6095 H PHE A 803 31.396 -24.040 -4.402 1.00 12.46 0.163 HD +ATOM 6096 N ILE A 804 33.315 -21.636 -3.946 1.00 11.40 -0.346 N +ATOM 6097 CA ILE A 804 34.589 -20.917 -3.851 1.00 11.69 0.180 C +ATOM 6098 C ILE A 804 35.116 -20.543 -5.252 1.00 11.82 0.241 C +ATOM 6099 O ILE A 804 35.653 -19.448 -5.417 1.00 10.61 -0.271 OA +ATOM 6100 CB ILE A 804 35.609 -21.761 -3.035 1.00 12.89 0.013 C +ATOM 6101 CG1 ILE A 804 35.118 -21.918 -1.578 1.00 11.64 0.002 C +ATOM 6102 CG2 ILE A 804 37.019 -21.137 -3.038 1.00 14.04 0.012 C +ATOM 6103 CD1 ILE A 804 35.925 -22.901 -0.722 1.00 12.57 0.005 C +ATOM 6104 H ILE A 804 33.317 -22.621 -3.720 1.00 11.40 0.163 HD +ATOM 6105 N ASP A 805 34.894 -21.398 -6.267 1.00 13.26 -0.345 N +ATOM 6106 CA ASP A 805 35.168 -21.092 -7.675 1.00 15.26 0.186 C +ATOM 6107 C ASP A 805 34.205 -20.032 -8.236 1.00 14.38 0.241 C +ATOM 6108 O ASP A 805 34.601 -19.287 -9.129 1.00 15.05 -0.271 OA +ATOM 6109 CB ASP A 805 35.041 -22.356 -8.559 1.00 16.92 0.147 C +ATOM 6110 CG ASP A 805 36.035 -23.479 -8.253 1.00 23.60 0.175 C +ATOM 6111 OD1 ASP A 805 37.170 -23.166 -7.834 1.00 30.81 -0.648 OA +ATOM 6112 OD2 ASP A 805 35.645 -24.647 -8.474 1.00 27.85 -0.648 OA +ATOM 6113 H ASP A 805 34.472 -22.293 -6.058 1.00 13.26 0.163 HD +ATOM 6114 N ALA A 806 32.962 -19.948 -7.727 1.00 13.10 -0.346 N +ATOM 6115 CA ALA A 806 31.966 -18.954 -8.133 1.00 13.49 0.172 C +ATOM 6116 C ALA A 806 32.272 -17.576 -7.530 1.00 13.78 0.240 C +ATOM 6117 O ALA A 806 32.090 -16.576 -8.220 1.00 14.40 -0.271 OA +ATOM 6118 CB ALA A 806 30.577 -19.400 -7.661 1.00 13.20 0.042 C +ATOM 6119 H ALA A 806 32.698 -20.600 -7.002 1.00 13.10 0.163 HD +ATOM 6120 N ILE A 807 32.791 -17.524 -6.286 1.00 12.63 -0.346 N +ATOM 6121 CA ILE A 807 33.323 -16.317 -5.647 1.00 13.54 0.180 C +ATOM 6122 C ILE A 807 34.547 -15.809 -6.434 1.00 15.41 0.241 C +ATOM 6123 O ILE A 807 34.575 -14.632 -6.775 1.00 16.43 -0.271 OA +ATOM 6124 CB ILE A 807 33.641 -16.577 -4.141 1.00 14.10 0.013 C +ATOM 6125 CG1 ILE A 807 32.355 -16.825 -3.318 1.00 12.83 0.002 C +ATOM 6126 CG2 ILE A 807 34.438 -15.424 -3.489 1.00 13.10 0.012 C +ATOM 6127 CD1 ILE A 807 32.610 -17.487 -1.954 1.00 13.99 0.005 C +ATOM 6128 H ILE A 807 32.886 -18.393 -5.776 1.00 12.63 0.163 HD +ATOM 6129 N LYS A 808 35.504 -16.692 -6.780 1.00 16.10 -0.346 N +ATOM 6130 CA LYS A 808 36.694 -16.388 -7.584 1.00 17.52 0.176 C +ATOM 6131 C LYS A 808 36.352 -15.833 -8.977 1.00 18.41 0.241 C +ATOM 6132 O LYS A 808 36.960 -14.856 -9.404 1.00 18.79 -0.271 OA +ATOM 6133 CB LYS A 808 37.558 -17.660 -7.714 1.00 17.79 0.035 C +ATOM 6134 CG LYS A 808 38.912 -17.433 -8.414 1.00 19.84 0.004 C +ATOM 6135 CD LYS A 808 39.792 -18.691 -8.439 1.00 19.92 0.027 C +ATOM 6136 CE LYS A 808 41.133 -18.492 -9.165 1.00 27.37 0.229 C +ATOM 6137 NZ LYS A 808 40.954 -18.257 -10.609 1.00 30.07 -0.079 N +ATOM 6138 H LYS A 808 35.404 -17.646 -6.456 1.00 16.10 0.163 HD +ATOM 6139 HZ1 LYS A 808 40.485 -17.368 -10.754 1.00 30.07 0.274 HD +ATOM 6140 HZ2 LYS A 808 41.858 -18.213 -11.057 1.00 30.07 0.274 HD +ATOM 6141 HZ3 LYS A 808 40.406 -18.999 -11.018 1.00 30.07 0.274 HD +ATOM 6142 N TYR A 809 35.365 -16.439 -9.658 1.00 19.00 -0.346 N +ATOM 6143 CA TYR A 809 34.858 -16.043 -10.972 1.00 20.46 0.180 C +ATOM 6144 C TYR A 809 34.239 -14.633 -10.952 1.00 20.41 0.241 C +ATOM 6145 O TYR A 809 34.526 -13.834 -11.843 1.00 20.02 -0.271 OA +ATOM 6146 CB TYR A 809 33.832 -17.104 -11.430 1.00 21.83 0.073 C +ATOM 6147 CG TYR A 809 33.061 -16.775 -12.694 1.00 25.96 -0.056 A +ATOM 6148 CD1 TYR A 809 33.639 -16.976 -13.964 1.00 28.07 0.010 A +ATOM 6149 CD2 TYR A 809 31.757 -16.249 -12.596 1.00 25.05 0.010 A +ATOM 6150 CE1 TYR A 809 32.915 -16.641 -15.125 1.00 30.05 0.037 A +ATOM 6151 CE2 TYR A 809 31.035 -15.909 -13.754 1.00 28.50 0.037 A +ATOM 6152 CZ TYR A 809 31.617 -16.102 -15.021 1.00 29.14 0.065 A +ATOM 6153 OH TYR A 809 30.925 -15.766 -16.147 1.00 31.02 -0.361 OA +ATOM 6154 H TYR A 809 34.920 -17.236 -9.222 1.00 19.00 0.163 HD +ATOM 6155 HH TYR A 809 30.094 -15.355 -15.965 1.00 31.02 0.217 HD +ATOM 6156 N LEU A 810 33.428 -14.323 -9.926 1.00 19.25 -0.346 N +ATOM 6157 CA LEU A 810 32.809 -13.014 -9.708 1.00 20.65 0.177 C +ATOM 6158 C LEU A 810 33.853 -11.941 -9.383 1.00 20.47 0.241 C +ATOM 6159 O LEU A 810 33.790 -10.850 -9.940 1.00 20.71 -0.271 OA +ATOM 6160 CB LEU A 810 31.798 -13.120 -8.540 1.00 20.07 0.038 C +ATOM 6161 CG LEU A 810 30.323 -13.206 -8.967 1.00 23.94 -0.020 C +ATOM 6162 CD1 LEU A 810 30.030 -14.308 -9.985 1.00 29.00 0.009 C +ATOM 6163 CD2 LEU A 810 29.413 -13.381 -7.750 1.00 21.77 0.009 C +ATOM 6164 H LEU A 810 33.246 -15.036 -9.233 1.00 19.25 0.163 HD +ATOM 6165 N LEU A 811 34.821 -12.267 -8.514 1.00 20.01 -0.346 N +ATOM 6166 CA LEU A 811 35.900 -11.391 -8.069 1.00 22.00 0.177 C +ATOM 6167 C LEU A 811 36.881 -11.004 -9.187 1.00 24.05 0.241 C +ATOM 6168 O LEU A 811 37.369 -9.874 -9.198 1.00 24.74 -0.271 OA +ATOM 6169 CB LEU A 811 36.667 -12.116 -6.948 1.00 21.72 0.038 C +ATOM 6170 CG LEU A 811 35.998 -12.089 -5.560 1.00 22.40 -0.020 C +ATOM 6171 CD1 LEU A 811 36.789 -12.996 -4.621 1.00 23.95 0.009 C +ATOM 6172 CD2 LEU A 811 35.864 -10.690 -4.939 1.00 21.97 0.009 C +ATOM 6173 H LEU A 811 34.791 -13.191 -8.101 1.00 20.01 0.163 HD +ATOM 6174 N GLU A 812 37.141 -11.919 -10.132 1.00 25.61 -0.346 N +ATOM 6175 CA GLU A 812 38.047 -11.723 -11.262 1.00 28.10 0.177 C +ATOM 6176 C GLU A 812 37.328 -11.162 -12.506 1.00 29.52 0.241 C +ATOM 6177 O GLU A 812 37.995 -10.975 -13.522 1.00 30.53 -0.271 OA +ATOM 6178 CB GLU A 812 38.672 -13.092 -11.617 1.00 27.96 0.045 C +ATOM 6179 CG GLU A 812 39.714 -13.552 -10.573 1.00 28.21 0.116 C +ATOM 6180 CD GLU A 812 40.285 -14.950 -10.826 1.00 29.67 0.172 C +ATOM 6181 OE1 GLU A 812 39.709 -15.707 -11.639 1.00 30.96 -0.648 OA +ATOM 6182 OE2 GLU A 812 41.299 -15.267 -10.168 1.00 32.55 -0.648 OA +ATOM 6183 H GLU A 812 36.715 -12.832 -10.041 1.00 25.61 0.163 HD +ATOM 6184 N ASP A 813 36.012 -10.871 -12.455 1.00 30.24 -0.346 N +ATOM 6185 CA ASP A 813 35.254 -10.265 -13.556 1.00 32.50 0.186 C +ATOM 6186 C ASP A 813 35.357 -8.720 -13.461 1.00 33.52 0.243 C +ATOM 6187 O ASP A 813 34.874 -8.162 -12.473 1.00 32.78 -0.271 OA +ATOM 6188 CB ASP A 813 33.770 -10.714 -13.447 1.00 32.15 0.147 C +ATOM 6189 CG ASP A 813 32.797 -10.072 -14.453 1.00 34.45 0.175 C +ATOM 6190 OD1 ASP A 813 33.263 -9.607 -15.518 1.00 35.20 -0.648 OA +ATOM 6191 OD2 ASP A 813 31.589 -10.058 -14.133 1.00 34.63 -0.648 OA +ATOM 6192 H ASP A 813 35.513 -11.048 -11.594 1.00 30.24 0.163 HD +ATOM 6193 N PRO A 814 35.951 -8.014 -14.457 1.00 35.39 -0.337 N +ATOM 6194 CA PRO A 814 36.046 -6.541 -14.491 1.00 36.50 0.179 C +ATOM 6195 C PRO A 814 34.692 -5.801 -14.493 1.00 36.98 0.241 C +ATOM 6196 O PRO A 814 34.619 -4.686 -13.977 1.00 37.48 -0.271 OA +ATOM 6197 CB PRO A 814 36.765 -6.201 -15.811 1.00 37.45 0.037 C +ATOM 6198 CG PRO A 814 37.449 -7.478 -16.254 1.00 37.48 0.022 C +ATOM 6199 CD PRO A 814 36.685 -8.609 -15.575 1.00 36.22 0.127 C +ATOM 6200 N HIS A 815 33.642 -6.402 -15.085 1.00 37.25 -0.346 N +ATOM 6201 CA HIS A 815 32.322 -5.790 -15.268 1.00 37.05 0.182 C +ATOM 6202 C HIS A 815 31.470 -5.817 -13.991 1.00 35.25 0.241 C +ATOM 6203 O HIS A 815 30.566 -4.991 -13.857 1.00 35.73 -0.271 OA +ATOM 6204 CB HIS A 815 31.529 -6.561 -16.345 1.00 38.21 0.093 C +ATOM 6205 CG HIS A 815 32.053 -6.413 -17.749 1.00 41.46 0.030 A +ATOM 6206 CD2 HIS A 815 31.684 -5.563 -18.769 1.00 44.35 0.143 A +ATOM 6207 ND1 HIS A 815 33.090 -7.177 -18.255 1.00 44.44 -0.353 N +ATOM 6208 CE1 HIS A 815 33.293 -6.776 -19.513 1.00 45.82 0.207 A +ATOM 6209 NE2 HIS A 815 32.479 -5.798 -19.892 1.00 45.89 -0.254 NA +ATOM 6210 H HIS A 815 33.768 -7.334 -15.457 1.00 37.25 0.163 HD +ATOM 6211 HD1 HIS A 815 33.577 -7.921 -17.773 1.00 44.44 0.166 HD +ATOM 6212 N ALA A 816 31.749 -6.748 -13.064 1.00 32.71 -0.346 N +ATOM 6213 CA ALA A 816 31.048 -6.893 -11.793 1.00 29.64 0.172 C +ATOM 6214 C ALA A 816 31.344 -5.714 -10.855 1.00 27.49 0.240 C +ATOM 6215 O ALA A 816 32.460 -5.191 -10.829 1.00 28.24 -0.271 OA +ATOM 6216 CB ALA A 816 31.476 -8.215 -11.140 1.00 29.73 0.042 C +ATOM 6217 H ALA A 816 32.503 -7.394 -13.251 1.00 32.71 0.163 HD +ATOM 6218 N ASP A 817 30.317 -5.296 -10.102 1.00 24.58 -0.346 N +ATOM 6219 CA ASP A 817 30.335 -4.154 -9.191 1.00 22.72 0.186 C +ATOM 6220 C ASP A 817 31.213 -4.455 -7.964 1.00 21.40 0.241 C +ATOM 6221 O ASP A 817 31.078 -5.515 -7.355 1.00 19.10 -0.271 OA +ATOM 6222 CB ASP A 817 28.868 -3.854 -8.800 1.00 22.30 0.147 C +ATOM 6223 CG ASP A 817 28.693 -2.661 -7.861 1.00 23.89 0.175 C +ATOM 6224 OD1 ASP A 817 28.574 -1.540 -8.398 1.00 27.18 -0.648 OA +ATOM 6225 OD2 ASP A 817 28.676 -2.883 -6.633 1.00 22.03 -0.648 OA +ATOM 6226 H ASP A 817 29.442 -5.796 -10.186 1.00 24.58 0.163 HD +ATOM 6227 N ALA A 818 32.111 -3.522 -7.608 1.00 17.68 -0.346 N +ATOM 6228 CA ALA A 818 33.084 -3.669 -6.524 1.00 16.30 0.172 C +ATOM 6229 C ALA A 818 32.442 -3.743 -5.130 1.00 14.94 0.240 C +ATOM 6230 O ALA A 818 32.966 -4.411 -4.242 1.00 15.71 -0.271 OA +ATOM 6231 CB ALA A 818 34.048 -2.477 -6.554 1.00 16.20 0.042 C +ATOM 6232 H ALA A 818 32.172 -2.682 -8.168 1.00 17.68 0.163 HD +ATOM 6233 N GLY A 819 31.289 -3.091 -4.947 1.00 14.68 -0.351 N +ATOM 6234 CA GLY A 819 30.539 -3.109 -3.706 1.00 14.01 0.225 C +ATOM 6235 C GLY A 819 29.677 -4.370 -3.551 1.00 13.42 0.236 C +ATOM 6236 O GLY A 819 29.436 -4.802 -2.427 1.00 13.34 -0.272 OA +ATOM 6237 H GLY A 819 30.883 -2.589 -5.725 1.00 14.68 0.163 HD +ATOM 6238 N PHE A 820 29.255 -4.993 -4.664 1.00 14.33 -0.346 N +ATOM 6239 CA PHE A 820 28.646 -6.323 -4.696 1.00 13.81 0.180 C +ATOM 6240 C PHE A 820 29.696 -7.404 -4.369 1.00 13.71 0.241 C +ATOM 6241 O PHE A 820 29.373 -8.362 -3.670 1.00 13.68 -0.271 OA +ATOM 6242 CB PHE A 820 28.029 -6.563 -6.090 1.00 13.91 0.073 C +ATOM 6243 CG PHE A 820 27.442 -7.947 -6.307 1.00 16.77 -0.056 A +ATOM 6244 CD1 PHE A 820 26.221 -8.306 -5.701 1.00 16.76 0.007 A +ATOM 6245 CD2 PHE A 820 28.147 -8.893 -7.079 1.00 17.34 0.007 A +ATOM 6246 CE1 PHE A 820 25.725 -9.617 -5.840 1.00 18.28 0.001 A +ATOM 6247 CE2 PHE A 820 27.645 -10.198 -7.226 1.00 19.77 0.001 A +ATOM 6248 CZ PHE A 820 26.447 -10.565 -6.589 1.00 18.28 0.000 A +ATOM 6249 H PHE A 820 29.432 -4.539 -5.552 1.00 14.33 0.163 HD +ATOM 6250 N LYS A 821 30.954 -7.224 -4.816 1.00 12.69 -0.346 N +ATOM 6251 CA LYS A 821 32.085 -8.108 -4.525 1.00 13.27 0.176 C +ATOM 6252 C LYS A 821 32.490 -8.107 -3.042 1.00 12.56 0.241 C +ATOM 6253 O LYS A 821 33.015 -9.112 -2.569 1.00 13.14 -0.271 OA +ATOM 6254 CB LYS A 821 33.316 -7.686 -5.347 1.00 13.55 0.035 C +ATOM 6255 CG LYS A 821 33.259 -8.066 -6.827 1.00 15.08 0.004 C +ATOM 6256 CD LYS A 821 34.526 -7.607 -7.562 1.00 14.51 0.027 C +ATOM 6257 CE LYS A 821 34.356 -7.642 -9.076 1.00 17.21 0.229 C +ATOM 6258 NZ LYS A 821 35.644 -7.585 -9.780 1.00 20.08 -0.079 N +ATOM 6259 H LYS A 821 31.139 -6.412 -5.389 1.00 12.69 0.163 HD +ATOM 6260 HZ1 LYS A 821 36.209 -8.387 -9.532 1.00 20.08 0.274 HD +ATOM 6261 HZ2 LYS A 821 35.477 -7.596 -10.780 1.00 20.08 0.274 HD +ATOM 6262 HZ3 LYS A 821 36.135 -6.737 -9.524 1.00 20.08 0.274 HD +ATOM 6263 N SER A 822 32.256 -7.003 -2.308 1.00 12.60 -0.344 N +ATOM 6264 CA SER A 822 32.541 -6.908 -0.877 1.00 13.43 0.200 C +ATOM 6265 C SER A 822 31.480 -7.647 -0.032 1.00 13.11 0.243 C +ATOM 6266 O SER A 822 31.804 -8.085 1.071 1.00 13.47 -0.271 OA +ATOM 6267 CB SER A 822 32.677 -5.420 -0.479 1.00 12.26 0.199 C +ATOM 6268 OG SER A 822 31.457 -4.714 -0.406 1.00 16.98 -0.398 OA +ATOM 6269 H SER A 822 31.836 -6.199 -2.752 1.00 12.60 0.163 HD +ATOM 6270 HG SER A 822 30.952 -5.038 0.329 1.00 16.98 0.209 HD +ATOM 6271 N TYR A 823 30.256 -7.854 -0.561 1.00 12.85 -0.346 N +ATOM 6272 CA TYR A 823 29.213 -8.662 0.076 1.00 13.11 0.180 C +ATOM 6273 C TYR A 823 29.448 -10.170 -0.122 1.00 12.83 0.241 C +ATOM 6274 O TYR A 823 29.233 -10.918 0.827 1.00 13.95 -0.271 OA +ATOM 6275 CB TYR A 823 27.820 -8.309 -0.500 1.00 14.15 0.073 C +ATOM 6276 CG TYR A 823 27.204 -7.034 0.052 1.00 14.59 -0.056 A +ATOM 6277 CD1 TYR A 823 26.854 -6.960 1.416 1.00 15.60 0.010 A +ATOM 6278 CD2 TYR A 823 26.959 -5.928 -0.787 1.00 17.53 0.010 A +ATOM 6279 CE1 TYR A 823 26.289 -5.784 1.942 1.00 15.75 0.037 A +ATOM 6280 CE2 TYR A 823 26.400 -4.747 -0.261 1.00 18.68 0.037 A +ATOM 6281 CZ TYR A 823 26.073 -4.671 1.106 1.00 15.62 0.065 A +ATOM 6282 OH TYR A 823 25.559 -3.518 1.621 1.00 17.39 -0.361 OA +ATOM 6283 H TYR A 823 30.058 -7.476 -1.476 1.00 12.85 0.163 HD +ATOM 6284 HH TYR A 823 25.458 -3.556 2.564 1.00 17.39 0.217 HD +ATOM 6285 N ILE A 824 29.890 -10.646 -1.304 1.00 13.06 -0.346 N +ATOM 6286 CA ILE A 824 30.036 -12.091 -1.564 1.00 14.50 0.180 C +ATOM 6287 C ILE A 824 31.212 -12.740 -0.801 1.00 13.97 0.241 C +ATOM 6288 O ILE A 824 31.177 -13.950 -0.596 1.00 14.37 -0.271 OA +ATOM 6289 CB ILE A 824 30.161 -12.398 -3.084 1.00 15.74 0.013 C +ATOM 6290 CG1 ILE A 824 31.510 -11.947 -3.692 1.00 17.65 0.002 C +ATOM 6291 CG2 ILE A 824 28.935 -11.882 -3.863 1.00 14.71 0.012 C +ATOM 6292 CD1 ILE A 824 31.689 -12.226 -5.182 1.00 18.85 0.005 C +ATOM 6293 H ILE A 824 30.062 -10.003 -2.064 1.00 13.06 0.163 HD +ATOM 6294 N VAL A 825 32.233 -11.964 -0.390 1.00 12.17 -0.346 N +ATOM 6295 CA VAL A 825 33.381 -12.441 0.396 1.00 12.22 0.180 C +ATOM 6296 C VAL A 825 33.159 -12.260 1.909 1.00 12.58 0.241 C +ATOM 6297 O VAL A 825 33.964 -12.757 2.694 1.00 13.95 -0.271 OA +ATOM 6298 CB VAL A 825 34.671 -11.680 -0.016 1.00 11.41 0.009 C +ATOM 6299 CG1 VAL A 825 35.045 -11.970 -1.474 1.00 13.71 0.012 C +ATOM 6300 CG2 VAL A 825 34.637 -10.165 0.257 1.00 12.25 0.012 C +ATOM 6301 H VAL A 825 32.209 -10.982 -0.623 1.00 12.17 0.163 HD +ATOM 6302 N SER A 826 32.085 -11.567 2.320 1.00 12.29 -0.344 N +ATOM 6303 CA SER A 826 31.666 -11.431 3.710 1.00 12.08 0.200 C +ATOM 6304 C SER A 826 30.578 -12.477 3.977 1.00 10.76 0.243 C +ATOM 6305 O SER A 826 29.714 -12.696 3.131 1.00 12.53 -0.271 OA +ATOM 6306 CB SER A 826 31.032 -10.039 3.902 1.00 13.47 0.199 C +ATOM 6307 OG SER A 826 32.029 -9.040 3.861 1.00 14.72 -0.398 OA +ATOM 6308 H SER A 826 31.451 -11.209 1.619 1.00 12.29 0.163 HD +ATOM 6309 HG SER A 826 32.319 -8.946 2.964 1.00 14.72 0.209 HD +ATOM 6310 N LEU A 827 30.593 -13.094 5.168 1.00 10.05 -0.346 N +ATOM 6311 CA LEU A 827 29.514 -13.954 5.660 1.00 9.82 0.177 C +ATOM 6312 C LEU A 827 28.313 -13.082 6.091 1.00 9.40 0.243 C +ATOM 6313 O LEU A 827 28.518 -11.915 6.437 1.00 9.36 -0.271 OA +ATOM 6314 CB LEU A 827 30.009 -14.764 6.888 1.00 10.43 0.038 C +ATOM 6315 CG LEU A 827 30.502 -16.184 6.546 1.00 11.26 -0.020 C +ATOM 6316 CD1 LEU A 827 31.734 -16.183 5.636 1.00 13.64 0.009 C +ATOM 6317 CD2 LEU A 827 30.786 -16.989 7.822 1.00 12.86 0.009 C +ATOM 6318 H LEU A 827 31.342 -12.875 5.813 1.00 10.05 0.163 HD +ATOM 6319 N PRO A 828 27.073 -13.632 6.107 1.00 9.42 -0.337 N +ATOM 6320 CA PRO A 828 25.871 -12.991 6.670 1.00 10.04 0.179 C +ATOM 6321 C PRO A 828 26.086 -12.426 8.080 1.00 10.48 0.241 C +ATOM 6322 O PRO A 828 26.829 -13.011 8.863 1.00 10.89 -0.271 OA +ATOM 6323 CB PRO A 828 24.791 -14.082 6.678 1.00 10.36 0.037 C +ATOM 6324 CG PRO A 828 25.231 -15.093 5.636 1.00 10.66 0.022 C +ATOM 6325 CD PRO A 828 26.747 -14.944 5.553 1.00 10.69 0.127 C +ATOM 6326 N GLN A 829 25.435 -11.297 8.394 1.00 11.23 -0.346 N +ATOM 6327 CA GLN A 829 25.461 -10.612 9.690 1.00 12.22 0.177 C +ATOM 6328 C GLN A 829 25.039 -11.553 10.834 1.00 10.95 0.241 C +ATOM 6329 O GLN A 829 24.169 -12.397 10.639 1.00 9.71 -0.271 OA +ATOM 6330 CB GLN A 829 24.524 -9.384 9.595 1.00 12.33 0.044 C +ATOM 6331 CG GLN A 829 25.065 -8.246 8.693 1.00 16.50 0.105 C +ATOM 6332 CD GLN A 829 26.198 -7.393 9.281 1.00 24.71 0.215 C +ATOM 6333 NE2 GLN A 829 26.380 -7.385 10.602 1.00 25.73 -0.370 N +ATOM 6334 OE1 GLN A 829 26.924 -6.741 8.534 1.00 28.18 -0.274 OA +ATOM 6335 H GLN A 829 24.850 -10.883 7.678 1.00 11.23 0.163 HD +ATOM 6336 1HE2 GLN A 829 25.771 -7.917 11.212 1.00 25.73 0.159 HD +ATOM 6337 2HE2 GLN A 829 27.108 -6.812 11.003 1.00 25.73 0.159 HD +ATOM 6338 N ASP A 830 25.643 -11.430 12.027 1.00 10.66 -0.346 N +ATOM 6339 CA ASP A 830 25.331 -12.270 13.198 1.00 11.23 0.186 C +ATOM 6340 C ASP A 830 23.883 -12.116 13.691 1.00 11.50 0.241 C +ATOM 6341 O ASP A 830 23.310 -13.074 14.205 1.00 11.54 -0.271 OA +ATOM 6342 CB ASP A 830 26.313 -11.990 14.360 1.00 11.91 0.147 C +ATOM 6343 CG ASP A 830 27.768 -12.291 14.006 1.00 16.39 0.175 C +ATOM 6344 OD1 ASP A 830 27.997 -13.310 13.324 1.00 15.82 -0.648 OA +ATOM 6345 OD2 ASP A 830 28.647 -11.493 14.394 1.00 16.14 -0.648 OA +ATOM 6346 H ASP A 830 26.368 -10.731 12.129 1.00 10.66 0.163 HD +ATOM 6347 N ARG A 831 23.281 -10.938 13.464 1.00 11.79 -0.346 N +ATOM 6348 CA ARG A 831 21.880 -10.635 13.747 1.00 12.16 0.176 C +ATOM 6349 C ARG A 831 20.932 -11.117 12.630 1.00 12.86 0.241 C +ATOM 6350 O ARG A 831 19.727 -11.161 12.866 1.00 14.74 -0.271 OA +ATOM 6351 CB ARG A 831 21.723 -9.113 13.915 1.00 12.69 0.036 C +ATOM 6352 CG ARG A 831 22.363 -8.585 15.210 1.00 14.39 0.023 C +ATOM 6353 CD ARG A 831 22.132 -7.081 15.390 1.00 18.39 0.138 C +ATOM 6354 NE ARG A 831 23.110 -6.282 14.640 1.00 20.53 -0.227 N +ATOM 6355 CZ ARG A 831 23.198 -4.943 14.676 1.00 24.02 0.665 C +ATOM 6356 NH1 ARG A 831 22.381 -4.214 15.444 1.00 22.71 -0.235 N +ATOM 6357 NH2 ARG A 831 24.113 -4.317 13.928 1.00 25.06 -0.235 N +ATOM 6358 H ARG A 831 23.823 -10.233 12.986 1.00 11.79 0.163 HD +ATOM 6359 HE ARG A 831 23.750 -6.785 14.042 1.00 20.53 0.177 HD +ATOM 6360 HH11 ARG A 831 21.647 -4.664 15.977 1.00 22.71 0.174 HD +ATOM 6361 HH12 ARG A 831 22.426 -3.204 15.436 1.00 22.71 0.174 HD +ATOM 6362 HH21 ARG A 831 24.754 -4.839 13.344 1.00 25.06 0.174 HD +ATOM 6363 HH22 ARG A 831 24.179 -3.309 13.957 1.00 25.06 0.174 HD +ATOM 6364 N TYR A 832 21.451 -11.528 11.456 1.00 10.22 -0.346 N +ATOM 6365 CA TYR A 832 20.704 -12.285 10.448 1.00 10.11 0.180 C +ATOM 6366 C TYR A 832 20.745 -13.777 10.816 1.00 9.72 0.241 C +ATOM 6367 O TYR A 832 19.690 -14.405 10.845 1.00 10.42 -0.271 OA +ATOM 6368 CB TYR A 832 21.333 -12.081 9.048 1.00 10.31 0.073 C +ATOM 6369 CG TYR A 832 20.655 -12.833 7.912 1.00 11.21 -0.056 A +ATOM 6370 CD1 TYR A 832 19.478 -12.328 7.332 1.00 13.87 0.010 A +ATOM 6371 CD2 TYR A 832 21.193 -14.044 7.430 1.00 12.19 0.010 A +ATOM 6372 CE1 TYR A 832 18.822 -13.027 6.302 1.00 12.66 0.037 A +ATOM 6373 CE2 TYR A 832 20.554 -14.727 6.379 1.00 11.04 0.037 A +ATOM 6374 CZ TYR A 832 19.361 -14.230 5.822 1.00 13.48 0.065 A +ATOM 6375 OH TYR A 832 18.726 -14.899 4.819 1.00 12.88 -0.361 OA +ATOM 6376 H TYR A 832 22.453 -11.474 11.334 1.00 10.22 0.163 HD +ATOM 6377 HH TYR A 832 19.150 -15.715 4.582 1.00 12.88 0.217 HD +ATOM 6378 N ILE A 833 21.940 -14.326 11.120 1.00 8.74 -0.346 N +ATOM 6379 CA ILE A 833 22.195 -15.736 11.452 1.00 9.93 0.180 C +ATOM 6380 C ILE A 833 21.375 -16.228 12.659 1.00 10.16 0.241 C +ATOM 6381 O ILE A 833 20.858 -17.344 12.618 1.00 11.22 -0.271 OA +ATOM 6382 CB ILE A 833 23.721 -15.984 11.670 1.00 9.24 0.013 C +ATOM 6383 CG1 ILE A 833 24.541 -15.737 10.383 1.00 8.82 0.002 C +ATOM 6384 CG2 ILE A 833 24.014 -17.407 12.205 1.00 9.81 0.012 C +ATOM 6385 CD1 ILE A 833 26.046 -15.536 10.610 1.00 11.06 0.005 C +ATOM 6386 H ILE A 833 22.752 -13.724 11.071 1.00 8.74 0.163 HD +ATOM 6387 N ILE A 834 21.265 -15.407 13.719 1.00 11.96 -0.346 N +ATOM 6388 CA ILE A 834 20.607 -15.749 14.985 1.00 13.69 0.180 C +ATOM 6389 C ILE A 834 19.097 -16.025 14.848 1.00 13.21 0.241 C +ATOM 6390 O ILE A 834 18.544 -16.751 15.673 1.00 13.63 -0.271 OA +ATOM 6391 CB ILE A 834 20.887 -14.635 16.028 1.00 13.87 0.013 C +ATOM 6392 CG1 ILE A 834 20.592 -15.129 17.458 1.00 18.95 0.002 C +ATOM 6393 CG2 ILE A 834 20.138 -13.317 15.727 1.00 15.17 0.012 C +ATOM 6394 CD1 ILE A 834 21.179 -14.242 18.556 1.00 19.32 0.005 C +ATOM 6395 H ILE A 834 21.730 -14.510 13.674 1.00 11.96 0.163 HD +ATOM 6396 N ASN A 835 18.444 -15.504 13.793 1.00 14.34 -0.346 N +ATOM 6397 CA ASN A 835 17.048 -15.790 13.456 1.00 15.23 0.185 C +ATOM 6398 C ASN A 835 16.826 -17.249 13.017 1.00 14.37 0.241 C +ATOM 6399 O ASN A 835 15.692 -17.715 13.062 1.00 15.67 -0.271 OA +ATOM 6400 CB ASN A 835 16.569 -14.855 12.323 1.00 16.02 0.137 C +ATOM 6401 CG ASN A 835 16.502 -13.377 12.725 1.00 18.09 0.217 C +ATOM 6402 ND2 ASN A 835 17.174 -12.508 11.969 1.00 20.40 -0.370 N +ATOM 6403 OD1 ASN A 835 15.866 -13.025 13.715 1.00 22.24 -0.274 OA +ATOM 6404 H ASN A 835 18.966 -14.928 13.148 1.00 14.34 0.163 HD +ATOM 6405 1HD2 ASN A 835 17.698 -12.835 11.169 1.00 20.40 0.159 HD +ATOM 6406 2HD2 ASN A 835 17.185 -11.529 12.217 1.00 20.40 0.159 HD +ATOM 6407 N PHE A 836 17.890 -17.970 12.624 1.00 13.04 -0.346 N +ATOM 6408 CA PHE A 836 17.854 -19.340 12.109 1.00 13.83 0.180 C +ATOM 6409 C PHE A 836 18.467 -20.360 13.085 1.00 13.85 0.241 C +ATOM 6410 O PHE A 836 18.592 -21.526 12.714 1.00 14.91 -0.271 OA +ATOM 6411 CB PHE A 836 18.627 -19.381 10.775 1.00 13.49 0.073 C +ATOM 6412 CG PHE A 836 18.111 -18.395 9.746 1.00 11.79 -0.056 A +ATOM 6413 CD1 PHE A 836 16.927 -18.664 9.031 1.00 14.98 0.007 A +ATOM 6414 CD2 PHE A 836 18.791 -17.179 9.542 1.00 12.42 0.007 A +ATOM 6415 CE1 PHE A 836 16.426 -17.710 8.125 1.00 16.27 0.001 A +ATOM 6416 CE2 PHE A 836 18.288 -16.229 8.637 1.00 14.43 0.001 A +ATOM 6417 CZ PHE A 836 17.106 -16.494 7.927 1.00 16.52 0.000 A +ATOM 6418 H PHE A 836 18.795 -17.518 12.633 1.00 13.04 0.163 HD +ATOM 6419 N VAL A 837 18.845 -19.949 14.310 1.00 13.98 -0.346 N +ATOM 6420 CA VAL A 837 19.425 -20.814 15.340 1.00 14.60 0.180 C +ATOM 6421 C VAL A 837 18.668 -20.618 16.657 1.00 15.74 0.241 C +ATOM 6422 O VAL A 837 18.577 -19.498 17.160 1.00 16.94 -0.271 OA +ATOM 6423 CB VAL A 837 20.952 -20.575 15.502 1.00 14.87 0.009 C +ATOM 6424 CG1 VAL A 837 21.563 -21.546 16.533 1.00 16.16 0.012 C +ATOM 6425 CG2 VAL A 837 21.733 -20.692 14.184 1.00 15.94 0.012 C +ATOM 6426 H VAL A 837 18.703 -18.980 14.556 1.00 13.98 0.163 HD +ATOM 6427 N SER A 838 18.190 -21.729 17.238 1.00 15.18 -0.344 N +ATOM 6428 CA SER A 838 17.628 -21.813 18.583 1.00 15.66 0.200 C +ATOM 6429 C SER A 838 18.786 -21.986 19.570 1.00 14.72 0.243 C +ATOM 6430 O SER A 838 19.623 -22.868 19.379 1.00 13.30 -0.271 OA +ATOM 6431 CB SER A 838 16.754 -23.079 18.683 1.00 16.81 0.199 C +ATOM 6432 OG SER A 838 15.575 -22.927 17.922 1.00 21.80 -0.398 OA +ATOM 6433 H SER A 838 18.338 -22.610 16.761 1.00 15.18 0.163 HD +ATOM 6434 HG SER A 838 15.071 -22.215 18.284 1.00 21.80 0.209 HD +ATOM 6435 N ASN A 839 18.831 -21.145 20.615 1.00 13.60 -0.345 N +ATOM 6436 CA ASN A 839 19.791 -21.188 21.722 1.00 13.43 0.185 C +ATOM 6437 C ASN A 839 21.231 -20.940 21.240 1.00 13.25 0.241 C +ATOM 6438 O ASN A 839 22.111 -21.754 21.510 1.00 13.11 -0.271 OA +ATOM 6439 CB ASN A 839 19.666 -22.487 22.568 1.00 14.61 0.137 C +ATOM 6440 CG ASN A 839 18.281 -22.705 23.176 1.00 18.00 0.217 C +ATOM 6441 ND2 ASN A 839 17.839 -21.784 24.034 1.00 19.22 -0.370 N +ATOM 6442 OD1 ASN A 839 17.635 -23.714 22.900 1.00 19.76 -0.274 OA +ATOM 6443 H ASN A 839 18.104 -20.446 20.691 1.00 13.60 0.163 HD +ATOM 6444 1HD2 ASN A 839 18.400 -20.969 24.246 1.00 19.22 0.159 HD +ATOM 6445 2HD2 ASN A 839 16.935 -21.900 24.474 1.00 19.22 0.159 HD +ATOM 6446 N LEU A 840 21.459 -19.848 20.485 1.00 13.32 -0.346 N +ATOM 6447 CA LEU A 840 22.731 -19.525 19.839 1.00 13.36 0.177 C +ATOM 6448 C LEU A 840 23.867 -19.363 20.862 1.00 13.41 0.241 C +ATOM 6449 O LEU A 840 23.924 -18.375 21.595 1.00 15.21 -0.271 OA +ATOM 6450 CB LEU A 840 22.594 -18.242 18.985 1.00 14.09 0.038 C +ATOM 6451 CG LEU A 840 23.869 -17.900 18.163 1.00 15.70 -0.020 C +ATOM 6452 CD1 LEU A 840 23.889 -18.641 16.822 1.00 19.37 0.009 C +ATOM 6453 CD2 LEU A 840 24.048 -16.392 17.963 1.00 21.62 0.009 C +ATOM 6454 H LEU A 840 20.688 -19.211 20.329 1.00 13.32 0.163 HD +ATOM 6455 N ASP A 841 24.802 -20.320 20.844 1.00 11.84 -0.346 N +ATOM 6456 CA ASP A 841 26.083 -20.234 21.518 1.00 10.89 0.186 C +ATOM 6457 C ASP A 841 27.007 -19.420 20.602 1.00 10.25 0.241 C +ATOM 6458 O ASP A 841 27.362 -19.851 19.506 1.00 10.42 -0.271 OA +ATOM 6459 CB ASP A 841 26.594 -21.670 21.762 1.00 11.51 0.147 C +ATOM 6460 CG ASP A 841 27.854 -21.770 22.629 1.00 13.55 0.175 C +ATOM 6461 OD1 ASP A 841 28.727 -20.878 22.546 1.00 14.77 -0.648 OA +ATOM 6462 OD2 ASP A 841 27.946 -22.781 23.356 1.00 16.10 -0.648 OA +ATOM 6463 H ASP A 841 24.672 -21.100 20.212 1.00 11.84 0.163 HD +ATOM 6464 N THR A 842 27.358 -18.214 21.060 1.00 10.57 -0.344 N +ATOM 6465 CA THR A 842 28.134 -17.220 20.323 1.00 10.90 0.205 C +ATOM 6466 C THR A 842 29.626 -17.587 20.188 1.00 11.80 0.243 C +ATOM 6467 O THR A 842 30.271 -17.075 19.275 1.00 12.22 -0.271 OA +ATOM 6468 CB THR A 842 27.949 -15.851 21.019 1.00 11.06 0.146 C +ATOM 6469 CG2 THR A 842 26.502 -15.345 20.963 1.00 13.63 0.042 C +ATOM 6470 OG1 THR A 842 28.348 -15.916 22.369 1.00 12.50 -0.393 OA +ATOM 6471 H THR A 842 27.028 -17.935 21.973 1.00 10.57 0.163 HD +ATOM 6472 HG1 THR A 842 29.296 -15.970 22.399 1.00 12.50 0.210 HD +ATOM 6473 N ASP A 843 30.162 -18.503 21.021 1.00 11.01 -0.345 N +ATOM 6474 CA ASP A 843 31.503 -19.080 20.847 1.00 12.63 0.186 C +ATOM 6475 C ASP A 843 31.507 -20.143 19.745 1.00 11.82 0.241 C +ATOM 6476 O ASP A 843 32.462 -20.193 18.973 1.00 13.31 -0.271 OA +ATOM 6477 CB ASP A 843 32.002 -19.771 22.138 1.00 15.50 0.147 C +ATOM 6478 CG ASP A 843 32.286 -18.807 23.282 1.00 19.44 0.175 C +ATOM 6479 OD1 ASP A 843 32.930 -17.771 23.010 1.00 25.12 -0.648 OA +ATOM 6480 OD2 ASP A 843 31.877 -19.126 24.419 1.00 23.65 -0.648 OA +ATOM 6481 H ASP A 843 29.569 -18.912 21.732 1.00 11.01 0.163 HD +ATOM 6482 N VAL A 844 30.442 -20.958 19.643 1.00 10.94 -0.346 N +ATOM 6483 CA VAL A 844 30.256 -21.944 18.575 1.00 10.72 0.180 C +ATOM 6484 C VAL A 844 30.034 -21.236 17.227 1.00 10.12 0.241 C +ATOM 6485 O VAL A 844 30.595 -21.692 16.233 1.00 11.26 -0.271 OA +ATOM 6486 CB VAL A 844 29.083 -22.901 18.927 1.00 11.63 0.009 C +ATOM 6487 CG1 VAL A 844 28.723 -23.899 17.812 1.00 11.93 0.012 C +ATOM 6488 CG2 VAL A 844 29.356 -23.710 20.210 1.00 11.93 0.012 C +ATOM 6489 H VAL A 844 29.694 -20.854 20.317 1.00 10.94 0.163 HD +ATOM 6490 N LEU A 845 29.292 -20.109 17.190 1.00 9.69 -0.346 N +ATOM 6491 CA LEU A 845 29.119 -19.297 15.981 1.00 8.83 0.177 C +ATOM 6492 C LEU A 845 30.421 -18.578 15.581 1.00 9.90 0.241 C +ATOM 6493 O LEU A 845 30.694 -18.461 14.387 1.00 11.12 -0.271 OA +ATOM 6494 CB LEU A 845 27.973 -18.270 16.153 1.00 9.54 0.038 C +ATOM 6495 CG LEU A 845 27.710 -17.391 14.897 1.00 9.27 -0.020 C +ATOM 6496 CD1 LEU A 845 27.360 -18.230 13.657 1.00 12.83 0.009 C +ATOM 6497 CD2 LEU A 845 26.652 -16.303 15.134 1.00 8.87 0.009 C +ATOM 6498 H LEU A 845 28.845 -19.795 18.041 1.00 9.69 0.163 HD +ATOM 6499 N ALA A 846 31.239 -18.129 16.548 1.00 10.47 -0.346 N +ATOM 6500 CA ALA A 846 32.541 -17.517 16.285 1.00 10.35 0.172 C +ATOM 6501 C ALA A 846 33.530 -18.530 15.685 1.00 10.22 0.240 C +ATOM 6502 O ALA A 846 34.251 -18.182 14.753 1.00 10.59 -0.271 OA +ATOM 6503 CB ALA A 846 33.104 -16.920 17.584 1.00 11.35 0.042 C +ATOM 6504 H ALA A 846 30.961 -18.239 17.514 1.00 10.47 0.163 HD +ATOM 6505 N ASP A 847 33.515 -19.791 16.152 1.00 9.69 -0.346 N +ATOM 6506 CA ASP A 847 34.306 -20.896 15.595 1.00 9.70 0.186 C +ATOM 6507 C ASP A 847 33.790 -21.351 14.217 1.00 10.14 0.241 C +ATOM 6508 O ASP A 847 34.596 -21.737 13.373 1.00 10.24 -0.271 OA +ATOM 6509 CB ASP A 847 34.294 -22.113 16.553 1.00 11.82 0.147 C +ATOM 6510 CG ASP A 847 34.969 -21.889 17.910 1.00 13.44 0.175 C +ATOM 6511 OD1 ASP A 847 35.625 -20.841 18.091 1.00 17.20 -0.648 OA +ATOM 6512 OD2 ASP A 847 34.846 -22.799 18.758 1.00 18.57 -0.648 OA +ATOM 6513 H ASP A 847 32.909 -20.005 16.934 1.00 9.69 0.163 HD +ATOM 6514 N THR A 848 32.472 -21.267 13.969 1.00 8.75 -0.344 N +ATOM 6515 CA THR A 848 31.821 -21.604 12.699 1.00 9.30 0.205 C +ATOM 6516 C THR A 848 32.226 -20.616 11.599 1.00 9.10 0.243 C +ATOM 6517 O THR A 848 32.611 -21.041 10.512 1.00 10.11 -0.271 OA +ATOM 6518 CB THR A 848 30.289 -21.583 12.901 1.00 9.02 0.146 C +ATOM 6519 CG2 THR A 848 29.443 -21.661 11.623 1.00 7.11 0.042 C +ATOM 6520 OG1 THR A 848 29.945 -22.701 13.681 1.00 9.63 -0.393 OA +ATOM 6521 H THR A 848 31.876 -20.946 14.719 1.00 8.75 0.163 HD +ATOM 6522 HG1 THR A 848 30.326 -22.592 14.542 1.00 9.63 0.210 HD +ATOM 6523 N LYS A 849 32.174 -19.308 11.901 1.00 9.89 -0.346 N +ATOM 6524 CA LYS A 849 32.574 -18.226 11.007 1.00 10.09 0.176 C +ATOM 6525 C LYS A 849 34.068 -18.289 10.689 1.00 10.25 0.241 C +ATOM 6526 O LYS A 849 34.442 -18.210 9.522 1.00 10.01 -0.271 OA +ATOM 6527 CB LYS A 849 32.285 -16.880 11.683 1.00 10.87 0.035 C +ATOM 6528 CG LYS A 849 30.803 -16.500 11.726 1.00 13.36 0.004 C +ATOM 6529 CD LYS A 849 30.548 -15.331 12.682 1.00 19.98 0.027 C +ATOM 6530 CE LYS A 849 31.339 -14.063 12.319 1.00 26.04 0.229 C +ATOM 6531 NZ LYS A 849 30.974 -12.932 13.184 1.00 26.07 -0.079 N +ATOM 6532 H LYS A 849 31.837 -19.046 12.819 1.00 9.89 0.163 HD +ATOM 6533 HZ1 LYS A 849 29.966 -12.833 13.222 1.00 26.07 0.274 HD +ATOM 6534 HZ2 LYS A 849 31.324 -13.103 14.118 1.00 26.07 0.274 HD +ATOM 6535 HZ3 LYS A 849 31.383 -12.081 12.827 1.00 26.07 0.274 HD +ATOM 6536 N GLU A 850 34.899 -18.466 11.731 1.00 10.55 -0.346 N +ATOM 6537 CA GLU A 850 36.348 -18.597 11.657 1.00 13.25 0.177 C +ATOM 6538 C GLU A 850 36.791 -19.772 10.770 1.00 12.11 0.241 C +ATOM 6539 O GLU A 850 37.697 -19.601 9.961 1.00 13.52 -0.271 OA +ATOM 6540 CB GLU A 850 36.907 -18.671 13.092 1.00 13.42 0.045 C +ATOM 6541 CG GLU A 850 38.430 -18.881 13.193 1.00 19.03 0.116 C +ATOM 6542 CD GLU A 850 38.991 -18.705 14.606 1.00 20.80 0.172 C +ATOM 6543 OE1 GLU A 850 38.317 -18.072 15.449 1.00 29.39 -0.648 OA +ATOM 6544 OE2 GLU A 850 40.119 -19.203 14.817 1.00 32.39 -0.648 OA +ATOM 6545 H GLU A 850 34.488 -18.531 12.652 1.00 10.55 0.163 HD +ATOM 6546 N TYR A 851 36.107 -20.926 10.859 1.00 10.56 -0.346 N +ATOM 6547 CA TYR A 851 36.328 -22.081 9.993 1.00 9.93 0.180 C +ATOM 6548 C TYR A 851 35.968 -21.799 8.521 1.00 9.75 0.241 C +ATOM 6549 O TYR A 851 36.758 -22.141 7.645 1.00 10.47 -0.271 OA +ATOM 6550 CB TYR A 851 35.526 -23.282 10.531 1.00 9.41 0.073 C +ATOM 6551 CG TYR A 851 35.576 -24.514 9.642 1.00 10.22 -0.056 A +ATOM 6552 CD1 TYR A 851 36.774 -25.246 9.504 1.00 12.12 0.010 A +ATOM 6553 CD2 TYR A 851 34.436 -24.891 8.906 1.00 8.67 0.010 A +ATOM 6554 CE1 TYR A 851 36.823 -26.359 8.642 1.00 12.69 0.037 A +ATOM 6555 CE2 TYR A 851 34.488 -25.997 8.039 1.00 7.90 0.037 A +ATOM 6556 CZ TYR A 851 35.679 -26.737 7.914 1.00 10.20 0.065 A +ATOM 6557 OH TYR A 851 35.721 -27.826 7.094 1.00 12.41 -0.361 OA +ATOM 6558 H TYR A 851 35.380 -21.003 11.558 1.00 10.56 0.163 HD +ATOM 6559 HH TYR A 851 34.881 -28.027 6.711 1.00 12.41 0.217 HD +ATOM 6560 N ILE A 852 34.804 -21.187 8.244 1.00 9.40 -0.346 N +ATOM 6561 CA ILE A 852 34.313 -20.926 6.884 1.00 9.87 0.180 C +ATOM 6562 C ILE A 852 35.153 -19.840 6.183 1.00 9.81 0.241 C +ATOM 6563 O ILE A 852 35.454 -19.991 5.000 1.00 10.49 -0.271 OA +ATOM 6564 CB ILE A 852 32.799 -20.570 6.930 1.00 9.02 0.013 C +ATOM 6565 CG1 ILE A 852 31.981 -21.783 7.432 1.00 8.41 0.002 C +ATOM 6566 CG2 ILE A 852 32.231 -20.105 5.568 1.00 9.78 0.012 C +ATOM 6567 CD1 ILE A 852 30.546 -21.445 7.853 1.00 9.63 0.005 C +ATOM 6568 H ILE A 852 34.201 -20.930 9.014 1.00 9.40 0.163 HD +ATOM 6569 N TYR A 853 35.590 -18.793 6.905 1.00 9.46 -0.346 N +ATOM 6570 CA TYR A 853 36.525 -17.784 6.403 1.00 9.62 0.180 C +ATOM 6571 C TYR A 853 37.927 -18.369 6.158 1.00 10.69 0.241 C +ATOM 6572 O TYR A 853 38.570 -17.986 5.182 1.00 11.40 -0.271 OA +ATOM 6573 CB TYR A 853 36.634 -16.610 7.402 1.00 10.12 0.073 C +ATOM 6574 CG TYR A 853 35.552 -15.547 7.292 1.00 9.54 -0.056 A +ATOM 6575 CD1 TYR A 853 35.410 -14.808 6.100 1.00 11.79 0.010 A +ATOM 6576 CD2 TYR A 853 34.739 -15.230 8.400 1.00 12.71 0.010 A +ATOM 6577 CE1 TYR A 853 34.477 -13.758 6.022 1.00 11.73 0.037 A +ATOM 6578 CE2 TYR A 853 33.796 -14.187 8.321 1.00 11.03 0.037 A +ATOM 6579 CZ TYR A 853 33.673 -13.443 7.132 1.00 12.45 0.065 A +ATOM 6580 OH TYR A 853 32.800 -12.398 7.058 1.00 12.54 -0.361 OA +ATOM 6581 H TYR A 853 35.293 -18.714 7.870 1.00 9.46 0.163 HD +ATOM 6582 HH TYR A 853 32.310 -12.259 7.859 1.00 12.54 0.217 HD +ATOM 6583 N LYS A 854 38.391 -19.316 6.992 1.00 11.03 -0.346 N +ATOM 6584 CA LYS A 854 39.676 -19.992 6.808 1.00 12.16 0.176 C +ATOM 6585 C LYS A 854 39.648 -20.921 5.583 1.00 11.63 0.241 C +ATOM 6586 O LYS A 854 40.593 -20.903 4.804 1.00 12.79 -0.271 OA +ATOM 6587 CB LYS A 854 40.043 -20.774 8.086 1.00 12.41 0.035 C +ATOM 6588 CG LYS A 854 41.485 -21.313 8.133 1.00 17.33 0.004 C +ATOM 6589 CD LYS A 854 42.548 -20.199 8.125 1.00 20.42 0.027 C +ATOM 6590 CE LYS A 854 43.963 -20.691 8.457 1.00 26.93 0.229 C +ATOM 6591 NZ LYS A 854 44.453 -21.662 7.465 1.00 27.27 -0.079 N +ATOM 6592 H LYS A 854 37.823 -19.600 7.779 1.00 11.03 0.163 HD +ATOM 6593 HZ1 LYS A 854 43.878 -22.492 7.489 1.00 27.27 0.274 HD +ATOM 6594 HZ2 LYS A 854 44.391 -21.273 6.529 1.00 27.27 0.274 HD +ATOM 6595 HZ3 LYS A 854 45.411 -21.909 7.661 1.00 27.27 0.274 HD +ATOM 6596 N GLN A 855 38.544 -21.660 5.375 1.00 11.37 -0.346 N +ATOM 6597 CA GLN A 855 38.290 -22.556 4.244 1.00 10.85 0.177 C +ATOM 6598 C GLN A 855 38.314 -21.843 2.883 1.00 11.29 0.241 C +ATOM 6599 O GLN A 855 38.949 -22.332 1.948 1.00 12.09 -0.271 OA +ATOM 6600 CB GLN A 855 36.913 -23.222 4.453 1.00 11.56 0.044 C +ATOM 6601 CG GLN A 855 36.942 -24.426 5.411 1.00 9.90 0.105 C +ATOM 6602 CD GLN A 855 37.270 -25.734 4.691 1.00 14.25 0.215 C +ATOM 6603 NE2 GLN A 855 38.277 -26.462 5.174 1.00 14.91 -0.370 N +ATOM 6604 OE1 GLN A 855 36.613 -26.089 3.714 1.00 15.22 -0.274 OA +ATOM 6605 H GLN A 855 37.815 -21.605 6.075 1.00 11.37 0.163 HD +ATOM 6606 1HE2 GLN A 855 38.789 -26.143 5.984 1.00 14.91 0.159 HD +ATOM 6607 2HE2 GLN A 855 38.516 -27.338 4.733 1.00 14.91 0.159 HD +ATOM 6608 N ILE A 856 37.640 -20.687 2.781 1.00 9.65 -0.346 N +ATOM 6609 CA ILE A 856 37.558 -19.882 1.560 1.00 9.65 0.180 C +ATOM 6610 C ILE A 856 38.878 -19.116 1.342 1.00 10.94 0.241 C +ATOM 6611 O ILE A 856 39.322 -19.004 0.202 1.00 11.81 -0.271 OA +ATOM 6612 CB ILE A 856 36.345 -18.912 1.664 1.00 9.36 0.013 C +ATOM 6613 CG1 ILE A 856 35.018 -19.695 1.808 1.00 9.26 0.002 C +ATOM 6614 CG2 ILE A 856 36.243 -17.965 0.449 1.00 10.18 0.012 C +ATOM 6615 CD1 ILE A 856 33.833 -18.856 2.287 1.00 11.73 0.005 C +ATOM 6616 H ILE A 856 37.133 -20.355 3.590 1.00 9.65 0.163 HD +ATOM 6617 N GLY A 857 39.526 -18.640 2.419 1.00 11.23 -0.351 N +ATOM 6618 CA GLY A 857 40.792 -17.914 2.373 1.00 12.40 0.225 C +ATOM 6619 C GLY A 857 41.989 -18.791 1.987 1.00 13.47 0.236 C +ATOM 6620 O GLY A 857 42.826 -18.342 1.210 1.00 14.31 -0.272 OA +ATOM 6621 H GLY A 857 39.113 -18.785 3.331 1.00 11.23 0.163 HD +ATOM 6622 N ASP A 858 42.048 -20.058 2.440 1.00 14.66 -0.346 N +ATOM 6623 CA ASP A 858 43.062 -21.046 2.028 1.00 16.21 0.186 C +ATOM 6624 C ASP A 858 43.097 -21.312 0.512 1.00 16.17 0.241 C +ATOM 6625 O ASP A 858 44.141 -21.713 -0.001 1.00 17.82 -0.271 OA +ATOM 6626 CB ASP A 858 42.884 -22.389 2.785 1.00 17.12 0.147 C +ATOM 6627 CG ASP A 858 43.229 -22.353 4.277 1.00 20.58 0.175 C +ATOM 6628 OD1 ASP A 858 43.957 -21.425 4.693 1.00 23.62 -0.648 OA +ATOM 6629 OD2 ASP A 858 42.773 -23.273 4.990 1.00 23.31 -0.648 OA +ATOM 6630 H ASP A 858 41.343 -20.369 3.096 1.00 14.66 0.163 HD +ATOM 6631 N LYS A 859 41.988 -21.052 -0.198 1.00 15.01 -0.346 N +ATOM 6632 CA LYS A 859 41.885 -21.173 -1.647 1.00 15.75 0.176 C +ATOM 6633 C LYS A 859 41.958 -19.821 -2.380 1.00 15.22 0.241 C +ATOM 6634 O LYS A 859 42.354 -19.831 -3.544 1.00 15.93 -0.271 OA +ATOM 6635 CB LYS A 859 40.536 -21.838 -1.977 1.00 16.19 0.035 C +ATOM 6636 CG LYS A 859 40.545 -23.351 -1.696 1.00 20.70 0.004 C +ATOM 6637 CD LYS A 859 39.293 -24.050 -2.235 1.00 26.47 0.027 C +ATOM 6638 CE LYS A 859 39.345 -25.575 -2.127 1.00 31.42 0.229 C +ATOM 6639 NZ LYS A 859 38.110 -26.176 -2.658 1.00 29.42 -0.079 N +ATOM 6640 H LYS A 859 41.174 -20.718 0.298 1.00 15.01 0.163 HD +ATOM 6641 HZ1 LYS A 859 37.962 -25.855 -3.607 1.00 29.42 0.274 HD +ATOM 6642 HZ2 LYS A 859 38.188 -27.183 -2.646 1.00 29.42 0.274 HD +ATOM 6643 HZ3 LYS A 859 37.330 -25.893 -2.082 1.00 29.42 0.274 HD +ATOM 6644 N LEU A 860 41.592 -18.686 -1.750 1.00 13.57 -0.346 N +ATOM 6645 CA LEU A 860 41.392 -17.392 -2.422 1.00 12.95 0.177 C +ATOM 6646 C LEU A 860 42.272 -16.238 -1.915 1.00 12.59 0.241 C +ATOM 6647 O LEU A 860 42.102 -15.128 -2.413 1.00 12.43 -0.271 OA +ATOM 6648 CB LEU A 860 39.902 -16.965 -2.388 1.00 12.79 0.038 C +ATOM 6649 CG LEU A 860 38.878 -17.921 -3.029 1.00 12.97 -0.020 C +ATOM 6650 CD1 LEU A 860 37.486 -17.268 -3.022 1.00 12.17 0.009 C +ATOM 6651 CD2 LEU A 860 39.237 -18.330 -4.464 1.00 15.01 0.009 C +ATOM 6652 H LEU A 860 41.295 -18.749 -0.786 1.00 13.57 0.163 HD +ATOM 6653 N ASN A 861 43.213 -16.432 -0.973 1.00 12.26 -0.346 N +ATOM 6654 CA ASN A 861 44.046 -15.334 -0.459 1.00 13.16 0.185 C +ATOM 6655 C ASN A 861 45.014 -14.713 -1.481 1.00 14.14 0.241 C +ATOM 6656 O ASN A 861 45.295 -13.521 -1.375 1.00 14.16 -0.271 OA +ATOM 6657 CB ASN A 861 44.856 -15.748 0.787 1.00 14.21 0.137 C +ATOM 6658 CG ASN A 861 44.078 -15.705 2.100 1.00 15.16 0.217 C +ATOM 6659 ND2 ASN A 861 44.478 -16.539 3.059 1.00 20.54 -0.370 N +ATOM 6660 OD1 ASN A 861 43.127 -14.943 2.245 1.00 16.20 -0.274 OA +ATOM 6661 H ASN A 861 43.330 -17.351 -0.565 1.00 12.26 0.163 HD +ATOM 6662 1HD2 ASN A 861 45.244 -17.174 2.890 1.00 20.54 0.159 HD +ATOM 6663 2HD2 ASN A 861 43.988 -16.570 3.941 1.00 20.54 0.159 HD +ATOM 6664 N ASP A 862 45.493 -15.466 -2.484 1.00 15.21 -0.345 N +ATOM 6665 CA ASP A 862 46.327 -14.908 -3.559 1.00 15.64 0.186 C +ATOM 6666 C ASP A 862 45.477 -14.133 -4.582 1.00 15.48 0.241 C +ATOM 6667 O ASP A 862 45.990 -13.190 -5.181 1.00 15.47 -0.271 OA +ATOM 6668 CB ASP A 862 47.132 -16.007 -4.294 1.00 16.89 0.147 C +ATOM 6669 CG ASP A 862 47.955 -16.910 -3.371 1.00 19.23 0.175 C +ATOM 6670 OD1 ASP A 862 48.556 -16.372 -2.415 1.00 19.20 -0.648 OA +ATOM 6671 OD2 ASP A 862 47.967 -18.131 -3.635 1.00 22.68 -0.648 OA +ATOM 6672 H ASP A 862 45.236 -16.442 -2.535 1.00 15.21 0.163 HD +ATOM 6673 N VAL A 863 44.182 -14.473 -4.738 1.00 15.22 -0.346 N +ATOM 6674 CA VAL A 863 43.198 -13.710 -5.518 1.00 15.33 0.180 C +ATOM 6675 C VAL A 863 42.851 -12.402 -4.781 1.00 14.65 0.241 C +ATOM 6676 O VAL A 863 42.776 -11.356 -5.421 1.00 15.18 -0.271 OA +ATOM 6677 CB VAL A 863 41.910 -14.557 -5.755 1.00 16.14 0.009 C +ATOM 6678 CG1 VAL A 863 40.810 -13.807 -6.539 1.00 15.48 0.012 C +ATOM 6679 CG2 VAL A 863 42.217 -15.890 -6.458 1.00 16.98 0.012 C +ATOM 6680 H VAL A 863 43.836 -15.260 -4.207 1.00 15.22 0.163 HD +ATOM 6681 N TYR A 864 42.685 -12.452 -3.447 1.00 14.26 -0.346 N +ATOM 6682 CA TYR A 864 42.351 -11.311 -2.591 1.00 14.44 0.180 C +ATOM 6683 C TYR A 864 43.501 -10.302 -2.512 1.00 14.78 0.241 C +ATOM 6684 O TYR A 864 43.247 -9.098 -2.521 1.00 14.24 -0.271 OA +ATOM 6685 CB TYR A 864 42.044 -11.795 -1.154 1.00 13.63 0.073 C +ATOM 6686 CG TYR A 864 40.781 -12.609 -0.922 1.00 13.69 -0.056 A +ATOM 6687 CD1 TYR A 864 39.854 -12.859 -1.958 1.00 11.12 0.010 A +ATOM 6688 CD2 TYR A 864 40.530 -13.123 0.370 1.00 12.04 0.010 A +ATOM 6689 CE1 TYR A 864 38.697 -13.609 -1.700 1.00 14.29 0.037 A +ATOM 6690 CE2 TYR A 864 39.359 -13.863 0.627 1.00 14.31 0.037 A +ATOM 6691 CZ TYR A 864 38.437 -14.095 -0.412 1.00 13.16 0.065 A +ATOM 6692 OH TYR A 864 37.282 -14.783 -0.200 1.00 13.42 -0.361 OA +ATOM 6693 H TYR A 864 42.748 -13.358 -2.998 1.00 14.26 0.163 HD +ATOM 6694 HH TYR A 864 37.122 -14.981 0.716 1.00 13.42 0.217 HD +ATOM 6695 N TYR A 865 44.754 -10.787 -2.463 1.00 15.09 -0.346 N +ATOM 6696 CA TYR A 865 45.954 -9.959 -2.455 1.00 15.61 0.180 C +ATOM 6697 C TYR A 865 46.186 -9.318 -3.831 1.00 16.53 0.241 C +ATOM 6698 O TYR A 865 46.454 -8.121 -3.887 1.00 17.50 -0.271 OA +ATOM 6699 CB TYR A 865 47.177 -10.808 -2.056 1.00 16.48 0.073 C +ATOM 6700 CG TYR A 865 48.456 -9.993 -1.976 1.00 16.93 -0.056 A +ATOM 6701 CD1 TYR A 865 48.672 -9.137 -0.878 1.00 19.37 0.010 A +ATOM 6702 CD2 TYR A 865 49.394 -10.032 -3.029 1.00 18.43 0.010 A +ATOM 6703 CE1 TYR A 865 49.811 -8.312 -0.841 1.00 20.67 0.037 A +ATOM 6704 CE2 TYR A 865 50.529 -9.202 -2.994 1.00 20.67 0.037 A +ATOM 6705 CZ TYR A 865 50.735 -8.333 -1.905 1.00 20.08 0.065 A +ATOM 6706 OH TYR A 865 51.826 -7.512 -1.895 1.00 22.70 -0.361 OA +ATOM 6707 H TYR A 865 44.882 -11.790 -2.434 1.00 15.09 0.163 HD +ATOM 6708 HH TYR A 865 51.851 -6.907 -1.163 1.00 22.70 0.217 HD +ATOM 6709 N LYS A 866 46.047 -10.083 -4.930 1.00 16.47 -0.346 N +ATOM 6710 CA LYS A 866 46.184 -9.585 -6.301 1.00 18.37 0.176 C +ATOM 6711 C LYS A 866 45.144 -8.497 -6.619 1.00 18.04 0.241 C +ATOM 6712 O LYS A 866 45.485 -7.499 -7.253 1.00 17.66 -0.271 OA +ATOM 6713 CB LYS A 866 46.074 -10.760 -7.293 1.00 18.39 0.035 C +ATOM 6714 CG LYS A 866 46.364 -10.365 -8.752 1.00 21.26 0.004 C +ATOM 6715 CD LYS A 866 46.269 -11.550 -9.720 1.00 22.34 0.027 C +ATOM 6716 CE LYS A 866 46.384 -11.133 -11.193 1.00 29.55 0.229 C +ATOM 6717 NZ LYS A 866 47.731 -10.629 -11.510 1.00 33.73 -0.079 N +ATOM 6718 H LYS A 866 45.828 -11.064 -4.812 1.00 16.47 0.163 HD +ATOM 6719 HZ1 LYS A 866 47.930 -9.821 -10.937 1.00 33.73 0.274 HD +ATOM 6720 HZ2 LYS A 866 48.413 -11.350 -11.324 1.00 33.73 0.274 HD +ATOM 6721 HZ3 LYS A 866 47.772 -10.369 -12.485 1.00 33.73 0.274 HD +ATOM 6722 N MET A 867 43.907 -8.664 -6.125 1.00 17.88 -0.346 N +ATOM 6723 CA MET A 867 42.827 -7.692 -6.233 1.00 19.10 0.177 C +ATOM 6724 C MET A 867 43.097 -6.434 -5.409 1.00 17.10 0.241 C +ATOM 6725 O MET A 867 42.928 -5.343 -5.943 1.00 16.85 -0.271 OA +ATOM 6726 CB MET A 867 41.521 -8.316 -5.746 1.00 18.30 0.045 C +ATOM 6727 CG MET A 867 40.821 -9.123 -6.835 1.00 21.95 0.076 C +ATOM 6728 SD MET A 867 39.252 -9.758 -6.234 1.00 25.28 -0.173 SA +ATOM 6729 CE MET A 867 38.243 -8.263 -6.379 1.00 21.61 0.089 C +ATOM 6730 H MET A 867 43.706 -9.521 -5.625 1.00 17.88 0.163 HD +ATOM 6731 N PHE A 868 43.543 -6.576 -4.147 1.00 15.33 -0.346 N +ATOM 6732 CA PHE A 868 43.917 -5.473 -3.259 1.00 14.51 0.180 C +ATOM 6733 C PHE A 868 44.965 -4.543 -3.895 1.00 14.62 0.241 C +ATOM 6734 O PHE A 868 44.797 -3.327 -3.859 1.00 15.31 -0.271 OA +ATOM 6735 CB PHE A 868 44.393 -6.019 -1.894 1.00 14.18 0.073 C +ATOM 6736 CG PHE A 868 44.850 -4.945 -0.918 1.00 14.07 -0.056 A +ATOM 6737 CD1 PHE A 868 43.896 -4.122 -0.288 1.00 14.33 0.007 A +ATOM 6738 CD2 PHE A 868 46.224 -4.724 -0.686 1.00 16.62 0.007 A +ATOM 6739 CE1 PHE A 868 44.308 -3.082 0.568 1.00 15.20 0.001 A +ATOM 6740 CE2 PHE A 868 46.635 -3.678 0.163 1.00 18.44 0.001 A +ATOM 6741 CZ PHE A 868 45.679 -2.861 0.796 1.00 15.35 0.000 A +ATOM 6742 H PHE A 868 43.645 -7.513 -3.780 1.00 15.33 0.163 HD +ATOM 6743 N LYS A 869 46.009 -5.106 -4.520 1.00 14.80 -0.346 N +ATOM 6744 CA LYS A 869 47.070 -4.339 -5.166 1.00 15.17 0.176 C +ATOM 6745 C LYS A 869 46.618 -3.752 -6.520 1.00 16.09 0.241 C +ATOM 6746 O LYS A 869 46.977 -2.614 -6.817 1.00 17.40 -0.271 OA +ATOM 6747 CB LYS A 869 48.298 -5.252 -5.371 1.00 15.18 0.035 C +ATOM 6748 CG LYS A 869 48.899 -5.836 -4.069 1.00 17.25 0.004 C +ATOM 6749 CD LYS A 869 49.432 -4.821 -3.044 1.00 23.98 0.027 C +ATOM 6750 CE LYS A 869 50.714 -4.111 -3.493 1.00 27.06 0.229 C +ATOM 6751 NZ LYS A 869 51.258 -3.266 -2.418 1.00 28.94 -0.079 N +ATOM 6752 H LYS A 869 46.091 -6.115 -4.516 1.00 14.80 0.163 HD +ATOM 6753 HZ1 LYS A 869 51.507 -3.847 -1.624 1.00 28.94 0.274 HD +ATOM 6754 HZ2 LYS A 869 52.084 -2.792 -2.760 1.00 28.94 0.274 HD +ATOM 6755 HZ3 LYS A 869 50.574 -2.578 -2.136 1.00 28.94 0.274 HD +ATOM 6756 N SER A 870 45.814 -4.477 -7.321 1.00 16.10 -0.344 N +ATOM 6757 CA SER A 870 45.342 -4.023 -8.639 1.00 16.94 0.200 C +ATOM 6758 C SER A 870 44.209 -2.978 -8.571 1.00 16.96 0.243 C +ATOM 6759 O SER A 870 44.032 -2.234 -9.534 1.00 17.52 -0.271 OA +ATOM 6760 CB SER A 870 44.874 -5.238 -9.473 1.00 18.39 0.199 C +ATOM 6761 OG SER A 870 43.636 -5.772 -9.041 1.00 18.49 -0.398 OA +ATOM 6762 H SER A 870 45.543 -5.403 -7.020 1.00 16.10 0.163 HD +ATOM 6763 HG SER A 870 43.739 -6.063 -8.146 1.00 18.49 0.209 HD +ATOM 6764 N LEU A 871 43.458 -2.910 -7.458 1.00 14.96 -0.346 N +ATOM 6765 CA LEU A 871 42.371 -1.953 -7.243 1.00 14.26 0.177 C +ATOM 6766 C LEU A 871 42.887 -0.580 -6.783 1.00 14.34 0.241 C +ATOM 6767 O LEU A 871 42.151 0.394 -6.931 1.00 14.25 -0.271 OA +ATOM 6768 CB LEU A 871 41.443 -2.479 -6.120 1.00 13.87 0.038 C +ATOM 6769 CG LEU A 871 40.418 -3.542 -6.554 1.00 15.01 -0.020 C +ATOM 6770 CD1 LEU A 871 39.848 -4.280 -5.332 1.00 17.13 0.009 C +ATOM 6771 CD2 LEU A 871 39.282 -2.909 -7.368 1.00 18.42 0.009 C +ATOM 6772 H LEU A 871 43.632 -3.581 -6.722 1.00 14.96 0.163 HD +ATOM 6773 N GLU A 872 44.109 -0.507 -6.218 1.00 15.13 -0.346 N +ATOM 6774 CA GLU A 872 44.707 0.659 -5.560 1.00 16.90 0.177 C +ATOM 6775 C GLU A 872 44.637 1.974 -6.355 1.00 15.62 0.241 C +ATOM 6776 O GLU A 872 44.254 2.999 -5.793 1.00 15.45 -0.271 OA +ATOM 6777 CB GLU A 872 46.148 0.327 -5.112 1.00 17.51 0.045 C +ATOM 6778 CG GLU A 872 46.795 1.427 -4.237 1.00 20.28 0.116 C +ATOM 6779 CD GLU A 872 48.253 1.159 -3.863 1.00 22.76 0.172 C +ATOM 6780 OE1 GLU A 872 48.619 -0.026 -3.706 1.00 31.34 -0.648 OA +ATOM 6781 OE2 GLU A 872 48.992 2.158 -3.724 1.00 31.42 -0.648 OA +ATOM 6782 H GLU A 872 44.642 -1.364 -6.171 1.00 15.13 0.163 HD +ATOM 6783 N ALA A 873 44.999 1.933 -7.649 1.00 16.55 -0.346 N +ATOM 6784 CA ALA A 873 45.094 3.088 -8.542 1.00 17.92 0.172 C +ATOM 6785 C ALA A 873 43.777 3.865 -8.697 1.00 17.63 0.240 C +ATOM 6786 O ALA A 873 43.780 5.085 -8.547 1.00 18.85 -0.271 OA +ATOM 6787 CB ALA A 873 45.613 2.627 -9.913 1.00 19.64 0.042 C +ATOM 6788 H ALA A 873 45.299 1.044 -8.025 1.00 16.55 0.163 HD +ATOM 6789 N LYS A 874 42.663 3.163 -8.960 1.00 16.83 -0.346 N +ATOM 6790 CA LYS A 874 41.337 3.756 -9.141 1.00 15.76 0.176 C +ATOM 6791 C LYS A 874 40.612 3.974 -7.804 1.00 14.89 0.241 C +ATOM 6792 O LYS A 874 39.891 4.962 -7.678 1.00 14.91 -0.271 OA +ATOM 6793 CB LYS A 874 40.478 2.795 -9.984 1.00 16.43 0.035 C +ATOM 6794 CG LYS A 874 40.854 2.813 -11.474 1.00 21.64 0.004 C +ATOM 6795 CD LYS A 874 40.076 1.772 -12.291 1.00 26.90 0.027 C +ATOM 6796 CE LYS A 874 40.418 1.825 -13.786 1.00 30.31 0.229 C +ATOM 6797 NZ LYS A 874 39.712 0.772 -14.534 1.00 32.90 -0.079 N +ATOM 6798 H LYS A 874 42.746 2.162 -9.067 1.00 16.83 0.163 HD +ATOM 6799 HZ1 LYS A 874 38.715 0.887 -14.421 1.00 32.90 0.274 HD +ATOM 6800 HZ2 LYS A 874 39.948 0.839 -15.514 1.00 32.90 0.274 HD +ATOM 6801 HZ3 LYS A 874 39.988 -0.134 -14.184 1.00 32.90 0.274 HD +ATOM 6802 N ALA A 875 40.810 3.087 -6.812 1.00 13.19 -0.346 N +ATOM 6803 CA ALA A 875 40.174 3.157 -5.495 1.00 12.62 0.172 C +ATOM 6804 C ALA A 875 40.676 4.357 -4.681 1.00 12.35 0.240 C +ATOM 6805 O ALA A 875 39.872 5.035 -4.049 1.00 12.83 -0.271 OA +ATOM 6806 CB ALA A 875 40.484 1.871 -4.716 1.00 12.40 0.042 C +ATOM 6807 H ALA A 875 41.426 2.303 -6.984 1.00 13.19 0.163 HD +ATOM 6808 N ASP A 876 41.987 4.643 -4.729 1.00 12.92 -0.346 N +ATOM 6809 CA ASP A 876 42.648 5.714 -3.979 1.00 13.71 0.186 C +ATOM 6810 C ASP A 876 43.115 6.858 -4.894 1.00 14.29 0.241 C +ATOM 6811 O ASP A 876 44.010 7.609 -4.508 1.00 14.85 -0.271 OA +ATOM 6812 CB ASP A 876 43.839 5.149 -3.166 1.00 13.89 0.147 C +ATOM 6813 CG ASP A 876 43.499 4.070 -2.136 1.00 16.11 0.175 C +ATOM 6814 OD1 ASP A 876 42.300 3.858 -1.849 1.00 14.67 -0.648 OA +ATOM 6815 OD2 ASP A 876 44.473 3.508 -1.589 1.00 21.08 -0.648 OA +ATOM 6816 H ASP A 876 42.585 4.042 -5.282 1.00 12.92 0.163 HD +ATOM 6817 N ASP A 877 42.502 7.028 -6.080 1.00 14.09 -0.345 N +ATOM 6818 CA ASP A 877 42.729 8.152 -6.994 1.00 16.01 0.186 C +ATOM 6819 C ASP A 877 42.452 9.502 -6.299 1.00 15.49 0.241 C +ATOM 6820 O ASP A 877 41.368 9.690 -5.750 1.00 15.57 -0.271 OA +ATOM 6821 CB ASP A 877 41.864 7.952 -8.263 1.00 16.48 0.147 C +ATOM 6822 CG ASP A 877 41.953 9.084 -9.293 1.00 22.02 0.175 C +ATOM 6823 OD1 ASP A 877 43.041 9.692 -9.397 1.00 22.29 -0.648 OA +ATOM 6824 OD2 ASP A 877 40.928 9.317 -9.967 1.00 26.73 -0.648 OA +ATOM 6825 H ASP A 877 41.794 6.359 -6.346 1.00 14.09 0.163 HD +ATOM 6826 N LEU A 878 43.440 10.411 -6.306 1.00 15.95 -0.346 N +ATOM 6827 CA LEU A 878 43.401 11.710 -5.629 1.00 16.56 0.177 C +ATOM 6828 C LEU A 878 43.095 12.880 -6.581 1.00 16.09 0.241 C +ATOM 6829 O LEU A 878 43.169 14.027 -6.137 1.00 16.66 -0.271 OA +ATOM 6830 CB LEU A 878 44.780 11.980 -4.976 1.00 17.05 0.038 C +ATOM 6831 CG LEU A 878 45.177 11.017 -3.844 1.00 18.45 -0.020 C +ATOM 6832 CD1 LEU A 878 46.639 11.267 -3.439 1.00 18.78 0.009 C +ATOM 6833 CD2 LEU A 878 44.239 11.136 -2.628 1.00 16.32 0.009 C +ATOM 6834 H LEU A 878 44.303 10.166 -6.776 1.00 15.95 0.163 HD +ATOM 6835 N THR A 879 42.739 12.620 -7.855 1.00 15.35 -0.344 N +ATOM 6836 CA THR A 879 42.464 13.621 -8.903 1.00 16.35 0.205 C +ATOM 6837 C THR A 879 41.461 14.715 -8.478 1.00 15.68 0.243 C +ATOM 6838 O THR A 879 41.640 15.880 -8.832 1.00 16.46 -0.271 OA +ATOM 6839 CB THR A 879 42.016 12.913 -10.211 1.00 15.86 0.146 C +ATOM 6840 CG2 THR A 879 41.631 13.864 -11.361 1.00 15.83 0.042 C +ATOM 6841 OG1 THR A 879 43.088 12.143 -10.713 1.00 15.42 -0.393 OA +ATOM 6842 H THR A 879 42.701 11.650 -8.140 1.00 15.35 0.163 HD +ATOM 6843 HG1 THR A 879 43.151 11.342 -10.202 1.00 15.42 0.210 HD +ATOM 6844 N TYR A 880 40.437 14.339 -7.699 1.00 14.23 -0.346 N +ATOM 6845 CA TYR A 880 39.345 15.194 -7.243 1.00 14.68 0.180 C +ATOM 6846 C TYR A 880 39.310 15.326 -5.712 1.00 14.80 0.241 C +ATOM 6847 O TYR A 880 38.301 15.787 -5.185 1.00 14.69 -0.271 OA +ATOM 6848 CB TYR A 880 38.014 14.641 -7.796 1.00 14.73 0.073 C +ATOM 6849 CG TYR A 880 37.951 14.599 -9.309 1.00 15.83 -0.056 A +ATOM 6850 CD1 TYR A 880 37.768 15.788 -10.044 1.00 15.69 0.010 A +ATOM 6851 CD2 TYR A 880 38.104 13.374 -9.988 1.00 14.19 0.010 A +ATOM 6852 CE1 TYR A 880 37.748 15.748 -11.452 1.00 17.94 0.037 A +ATOM 6853 CE2 TYR A 880 38.080 13.332 -11.393 1.00 16.27 0.037 A +ATOM 6854 CZ TYR A 880 37.909 14.521 -12.127 1.00 16.92 0.065 A +ATOM 6855 OH TYR A 880 37.909 14.483 -13.490 1.00 19.95 -0.361 OA +ATOM 6856 H TYR A 880 40.381 13.362 -7.434 1.00 14.23 0.163 HD +ATOM 6857 HH TYR A 880 37.783 15.333 -13.882 1.00 19.95 0.217 HD +ATOM 6858 N PHE A 881 40.390 14.968 -4.988 1.00 14.81 -0.346 N +ATOM 6859 CA PHE A 881 40.494 15.033 -3.521 1.00 14.63 0.180 C +ATOM 6860 C PHE A 881 40.277 16.441 -2.927 1.00 15.28 0.241 C +ATOM 6861 O PHE A 881 39.842 16.542 -1.781 1.00 15.73 -0.271 OA +ATOM 6862 CB PHE A 881 41.855 14.464 -3.066 1.00 15.96 0.073 C +ATOM 6863 CG PHE A 881 41.988 14.257 -1.564 1.00 15.50 -0.056 A +ATOM 6864 CD1 PHE A 881 41.503 13.072 -0.978 1.00 15.52 0.007 A +ATOM 6865 CD2 PHE A 881 42.567 15.251 -0.745 1.00 16.80 0.007 A +ATOM 6866 CE1 PHE A 881 41.600 12.871 0.411 1.00 17.21 0.001 A +ATOM 6867 CE2 PHE A 881 42.649 15.060 0.648 1.00 18.76 0.001 A +ATOM 6868 CZ PHE A 881 42.172 13.868 1.223 1.00 18.38 0.000 A +ATOM 6869 H PHE A 881 41.200 14.630 -5.491 1.00 14.81 0.163 HD +ATOM 6870 N ASN A 882 40.540 17.508 -3.701 1.00 15.62 -0.346 N +ATOM 6871 CA ASN A 882 40.328 18.907 -3.320 1.00 16.52 0.185 C +ATOM 6872 C ASN A 882 39.169 19.568 -4.089 1.00 16.84 0.241 C +ATOM 6873 O ASN A 882 38.975 20.775 -3.963 1.00 16.96 -0.271 OA +ATOM 6874 CB ASN A 882 41.644 19.710 -3.433 1.00 17.32 0.137 C +ATOM 6875 CG ASN A 882 42.669 19.281 -2.380 1.00 19.42 0.217 C +ATOM 6876 ND2 ASN A 882 42.410 19.621 -1.115 1.00 21.88 -0.370 N +ATOM 6877 OD1 ASN A 882 43.684 18.668 -2.704 1.00 26.31 -0.274 OA +ATOM 6878 H ASN A 882 40.912 17.344 -4.629 1.00 15.62 0.163 HD +ATOM 6879 1HD2 ASN A 882 41.570 20.137 -0.890 1.00 21.88 0.159 HD +ATOM 6880 2HD2 ASN A 882 43.047 19.347 -0.381 1.00 21.88 0.159 HD +ATOM 6881 N ASP A 883 38.357 18.787 -4.823 1.00 16.12 -0.345 N +ATOM 6882 CA ASP A 883 37.049 19.198 -5.330 1.00 16.93 0.186 C +ATOM 6883 C ASP A 883 36.017 18.679 -4.316 1.00 16.93 0.241 C +ATOM 6884 O ASP A 883 35.798 17.476 -4.217 1.00 15.44 -0.271 OA +ATOM 6885 CB ASP A 883 36.838 18.565 -6.730 1.00 17.90 0.147 C +ATOM 6886 CG ASP A 883 35.579 19.038 -7.472 1.00 19.50 0.175 C +ATOM 6887 OD1 ASP A 883 34.522 19.204 -6.824 1.00 19.06 -0.648 OA +ATOM 6888 OD2 ASP A 883 35.680 19.187 -8.708 1.00 21.00 -0.648 OA +ATOM 6889 H ASP A 883 38.572 17.801 -4.881 1.00 16.12 0.163 HD +ATOM 6890 N GLU A 884 35.389 19.586 -3.558 1.00 16.97 -0.346 N +ATOM 6891 CA GLU A 884 34.487 19.279 -2.444 1.00 18.46 0.177 C +ATOM 6892 C GLU A 884 33.114 18.740 -2.897 1.00 18.23 0.241 C +ATOM 6893 O GLU A 884 32.423 18.093 -2.111 1.00 18.37 -0.271 OA +ATOM 6894 CB GLU A 884 34.254 20.581 -1.647 1.00 18.79 0.045 C +ATOM 6895 CG GLU A 884 35.552 21.207 -1.093 1.00 21.61 0.116 C +ATOM 6896 CD GLU A 884 35.320 22.517 -0.343 1.00 23.61 0.172 C +ATOM 6897 OE1 GLU A 884 34.450 23.302 -0.781 1.00 32.06 -0.648 OA +ATOM 6898 OE2 GLU A 884 36.037 22.725 0.660 1.00 30.55 -0.648 OA +ATOM 6899 H GLU A 884 35.597 20.563 -3.723 1.00 16.97 0.163 HD +ATOM 6900 N SER A 885 32.718 18.999 -4.152 1.00 17.89 -0.344 N +ATOM 6901 CA SER A 885 31.416 18.643 -4.710 1.00 17.56 0.200 C +ATOM 6902 C SER A 885 31.453 17.326 -5.506 1.00 17.39 0.243 C +ATOM 6903 O SER A 885 30.397 16.724 -5.703 1.00 17.90 -0.271 OA +ATOM 6904 CB SER A 885 31.013 19.772 -5.676 1.00 18.58 0.199 C +ATOM 6905 OG SER A 885 30.590 20.902 -4.941 1.00 22.74 -0.398 OA +ATOM 6906 H SER A 885 33.350 19.510 -4.754 1.00 17.89 0.163 HD +ATOM 6907 HG SER A 885 29.672 20.800 -4.731 1.00 22.74 0.209 HD +ATOM 6908 N HIS A 886 32.634 16.870 -5.962 1.00 16.26 -0.346 N +ATOM 6909 CA HIS A 886 32.790 15.653 -6.760 1.00 15.65 0.182 C +ATOM 6910 C HIS A 886 32.745 14.432 -5.832 1.00 14.71 0.241 C +ATOM 6911 O HIS A 886 33.624 14.264 -4.994 1.00 14.95 -0.271 OA +ATOM 6912 CB HIS A 886 34.153 15.712 -7.483 1.00 15.71 0.093 C +ATOM 6913 CG HIS A 886 34.363 14.632 -8.514 1.00 16.33 0.030 A +ATOM 6914 CD2 HIS A 886 34.346 14.681 -9.891 1.00 14.06 0.143 A +ATOM 6915 ND1 HIS A 886 34.583 13.303 -8.193 1.00 16.24 -0.353 N +ATOM 6916 CE1 HIS A 886 34.641 12.628 -9.342 1.00 16.49 0.207 A +ATOM 6917 NE2 HIS A 886 34.519 13.400 -10.415 1.00 20.69 -0.254 NA +ATOM 6918 H HIS A 886 33.463 17.420 -5.777 1.00 16.26 0.163 HD +ATOM 6919 HD1 HIS A 886 34.640 12.906 -7.267 1.00 16.24 0.166 HD +ATOM 6920 N VAL A 887 31.733 13.570 -5.984 1.00 13.10 -0.346 N +ATOM 6921 CA VAL A 887 31.547 12.363 -5.180 1.00 12.26 0.180 C +ATOM 6922 C VAL A 887 31.255 11.198 -6.128 1.00 12.47 0.241 C +ATOM 6923 O VAL A 887 30.287 11.239 -6.886 1.00 13.81 -0.271 OA +ATOM 6924 CB VAL A 887 30.497 12.591 -4.061 1.00 12.29 0.009 C +ATOM 6925 CG1 VAL A 887 30.229 11.327 -3.222 1.00 11.51 0.012 C +ATOM 6926 CG2 VAL A 887 30.902 13.742 -3.122 1.00 12.06 0.012 C +ATOM 6927 H VAL A 887 31.043 13.759 -6.700 1.00 13.10 0.163 HD +ATOM 6928 N ASP A 888 32.108 10.168 -6.067 1.00 11.81 -0.345 N +ATOM 6929 CA ASP A 888 32.077 8.969 -6.888 1.00 11.70 0.186 C +ATOM 6930 C ASP A 888 31.823 7.777 -5.957 1.00 10.84 0.241 C +ATOM 6931 O ASP A 888 32.718 7.342 -5.231 1.00 10.05 -0.271 OA +ATOM 6932 CB ASP A 888 33.407 8.889 -7.678 1.00 12.87 0.147 C +ATOM 6933 CG ASP A 888 33.579 7.670 -8.594 1.00 15.64 0.175 C +ATOM 6934 OD1 ASP A 888 32.653 6.834 -8.674 1.00 14.46 -0.648 OA +ATOM 6935 OD2 ASP A 888 34.656 7.597 -9.223 1.00 15.92 -0.648 OA +ATOM 6936 H ASP A 888 32.848 10.208 -5.374 1.00 11.81 0.163 HD +ATOM 6937 N PHE A 889 30.587 7.257 -5.995 1.00 11.26 -0.346 N +ATOM 6938 CA PHE A 889 30.129 6.135 -5.181 1.00 11.70 0.189 C +ATOM 6939 C PHE A 889 30.677 4.779 -5.658 1.00 11.57 0.340 C +ATOM 6940 O PHE A 889 30.791 3.874 -4.832 1.00 11.62 -0.263 OA +ATOM 6941 CB PHE A 889 28.586 6.120 -5.176 1.00 12.25 0.073 C +ATOM 6942 CG PHE A 889 27.995 7.209 -4.295 1.00 12.55 -0.056 A +ATOM 6943 CD1 PHE A 889 27.881 7.001 -2.905 1.00 14.15 0.007 A +ATOM 6944 CD2 PHE A 889 27.589 8.444 -4.846 1.00 13.99 0.007 A +ATOM 6945 CE1 PHE A 889 27.388 8.021 -2.070 1.00 15.18 0.001 A +ATOM 6946 CE2 PHE A 889 27.086 9.462 -4.013 1.00 15.46 0.001 A +ATOM 6947 CZ PHE A 889 26.993 9.253 -2.623 1.00 13.71 0.000 A +ATOM 6948 H PHE A 889 29.915 7.674 -6.625 1.00 11.26 0.163 HD +ATOM 6949 N ASP A 890 31.093 4.646 -6.934 1.00 12.14 0.019 N +ATOM 6950 CA AASP A 890 31.815 3.469 -7.432 0.50 11.91 0.292 C +ATOM 6951 CA BASP A 890 31.789 3.580 -7.386 0.00 13.65 0.292 C +ATOM 6952 C ASP A 890 33.240 3.397 -6.868 1.00 12.46 0.205 C +ATOM 6953 O ASP A 890 33.673 2.307 -6.507 1.00 13.33 -0.279 OA +ATOM 6954 CB AASP A 890 31.903 3.439 -8.978 0.50 12.52 0.156 C +ATOM 6955 CB BASP A 890 31.826 3.582 -8.914 0.00 14.17 0.156 C +ATOM 6956 CG AASP A 890 30.569 3.199 -9.689 0.50 14.57 0.175 C +ATOM 6957 CG BASP A 890 32.239 2.242 -9.486 0.00 16.60 0.175 C +ATOM 6958 OD1AASP A 890 29.834 2.294 -9.241 0.50 16.85 -0.648 OA +ATOM 6959 OD1BASP A 890 32.022 1.215 -8.807 0.00 19.19 -0.648 OA +ATOM 6960 OD2AASP A 890 30.322 3.898 -10.695 0.50 18.65 -0.648 OA +ATOM 6961 OD2BASP A 890 32.780 2.212 -10.612 0.00 18.81 -0.648 OA +ATOM 6962 H ASP A 890 30.997 5.434 -7.561 1.00 12.14 0.292 HD +ATOM 6963 N GLN A 891 33.948 4.533 -6.737 1.00 12.03 -0.351 N +ATOM 6964 CA GLN A 891 35.283 4.589 -6.137 1.00 11.60 0.176 C +ATOM 6965 C GLN A 891 35.261 4.295 -4.626 1.00 11.28 0.241 C +ATOM 6966 O GLN A 891 36.185 3.657 -4.124 1.00 10.78 -0.271 OA +ATOM 6967 CB GLN A 891 35.908 5.973 -6.393 1.00 12.97 0.044 C +ATOM 6968 CG GLN A 891 37.292 6.149 -5.736 1.00 12.22 0.105 C +ATOM 6969 CD GLN A 891 38.002 7.436 -6.125 1.00 13.74 0.215 C +ATOM 6970 NE2 GLN A 891 39.274 7.545 -5.743 1.00 16.36 -0.370 N +ATOM 6971 OE1 GLN A 891 37.418 8.323 -6.738 1.00 14.09 -0.274 OA +ATOM 6972 H GLN A 891 33.539 5.398 -7.066 1.00 12.03 0.163 HD +ATOM 6973 1HE2 GLN A 891 39.708 6.775 -5.252 1.00 16.36 0.159 HD +ATOM 6974 2HE2 GLN A 891 39.813 8.369 -5.975 1.00 16.36 0.159 HD +ATOM 6975 N MET A 892 34.211 4.727 -3.907 1.00 10.57 -0.346 N +ATOM 6976 CA MET A 892 34.032 4.432 -2.484 1.00 11.00 0.177 C +ATOM 6977 C MET A 892 33.630 2.961 -2.260 1.00 9.92 0.241 C +ATOM 6978 O MET A 892 34.028 2.383 -1.252 1.00 10.03 -0.271 OA +ATOM 6979 CB MET A 892 32.976 5.384 -1.887 1.00 10.48 0.045 C +ATOM 6980 CG MET A 892 33.487 6.833 -1.809 1.00 10.62 0.076 C +ATOM 6981 SD MET A 892 32.480 8.017 -0.873 1.00 14.80 -0.173 SA +ATOM 6982 CE MET A 892 31.024 8.111 -1.938 1.00 14.22 0.089 C +ATOM 6983 H MET A 892 33.489 5.257 -4.375 1.00 10.57 0.163 HD +ATOM 6984 N ASN A 893 32.940 2.320 -3.223 1.00 10.73 -0.346 N +ATOM 6985 CA ASN A 893 32.706 0.871 -3.251 1.00 11.04 0.185 C +ATOM 6986 C ASN A 893 33.983 0.065 -3.577 1.00 11.78 0.241 C +ATOM 6987 O ASN A 893 34.104 -1.070 -3.116 1.00 12.22 -0.271 OA +ATOM 6988 CB ASN A 893 31.620 0.518 -4.300 1.00 11.64 0.137 C +ATOM 6989 CG ASN A 893 30.153 0.731 -3.895 1.00 14.04 0.217 C +ATOM 6990 ND2 ASN A 893 29.838 0.898 -2.611 1.00 17.07 -0.370 N +ATOM 6991 OD1 ASN A 893 29.277 0.697 -4.754 1.00 20.61 -0.274 OA +ATOM 6992 H ASN A 893 32.638 2.851 -4.029 1.00 10.73 0.163 HD +ATOM 6993 1HD2 ASN A 893 30.550 0.933 -1.895 1.00 17.07 0.159 HD +ATOM 6994 2HD2 ASN A 893 28.867 1.011 -2.359 1.00 17.07 0.159 HD +ATOM 6995 N MET A 894 34.944 0.643 -4.322 1.00 11.17 -0.346 N +ATOM 6996 CA MET A 894 36.251 0.041 -4.601 1.00 12.48 0.177 C +ATOM 6997 C MET A 894 37.184 0.136 -3.385 1.00 10.56 0.241 C +ATOM 6998 O MET A 894 37.955 -0.794 -3.163 1.00 10.22 -0.271 OA +ATOM 6999 CB MET A 894 36.920 0.740 -5.803 1.00 12.56 0.045 C +ATOM 7000 CG MET A 894 36.293 0.346 -7.145 1.00 15.75 0.076 C +ATOM 7001 SD MET A 894 36.955 1.245 -8.571 1.00 19.22 -0.173 SA +ATOM 7002 CE MET A 894 38.306 0.127 -9.017 1.00 24.19 0.089 C +ATOM 7003 H MET A 894 34.769 1.566 -4.694 1.00 11.17 0.163 HD +ATOM 7004 N ARG A 895 37.079 1.199 -2.563 1.00 10.58 -0.346 N +ATOM 7005 CA ARG A 895 37.777 1.290 -1.279 1.00 10.21 0.176 C +ATOM 7006 C ARG A 895 37.154 0.361 -0.232 1.00 10.16 0.241 C +ATOM 7007 O ARG A 895 37.905 -0.228 0.538 1.00 10.45 -0.271 OA +ATOM 7008 CB ARG A 895 37.765 2.727 -0.725 1.00 9.78 0.036 C +ATOM 7009 CG ARG A 895 38.667 3.675 -1.525 1.00 9.18 0.023 C +ATOM 7010 CD ARG A 895 39.179 4.867 -0.709 1.00 11.63 0.138 C +ATOM 7011 NE ARG A 895 38.153 5.901 -0.570 1.00 8.10 -0.227 N +ATOM 7012 CZ ARG A 895 37.972 6.946 -1.388 1.00 13.12 0.665 C +ATOM 7013 NH1 ARG A 895 38.688 7.097 -2.504 1.00 11.63 -0.235 N +ATOM 7014 NH2 ARG A 895 37.047 7.857 -1.086 1.00 10.65 -0.235 N +ATOM 7015 H ARG A 895 36.442 1.944 -2.811 1.00 10.58 0.163 HD +ATOM 7016 HE ARG A 895 37.475 5.765 0.178 1.00 8.10 0.177 HD +ATOM 7017 HH11 ARG A 895 39.343 6.380 -2.793 1.00 11.63 0.174 HD +ATOM 7018 HH12 ARG A 895 38.523 7.899 -3.099 1.00 11.63 0.174 HD +ATOM 7019 HH21 ARG A 895 36.522 7.767 -0.219 1.00 10.65 0.174 HD +ATOM 7020 HH22 ARG A 895 36.906 8.657 -1.686 1.00 10.65 0.174 HD +ATOM 7021 N THR A 896 35.821 0.166 -0.237 1.00 10.78 -0.344 N +ATOM 7022 CA THR A 896 35.123 -0.801 0.620 1.00 10.02 0.205 C +ATOM 7023 C THR A 896 35.593 -2.232 0.320 1.00 10.82 0.243 C +ATOM 7024 O THR A 896 35.850 -2.981 1.257 1.00 10.11 -0.271 OA +ATOM 7025 CB THR A 896 33.589 -0.674 0.444 1.00 10.52 0.146 C +ATOM 7026 CG2 THR A 896 32.758 -1.737 1.187 1.00 10.62 0.042 C +ATOM 7027 OG1 THR A 896 33.181 0.562 0.985 1.00 10.87 -0.393 OA +ATOM 7028 H THR A 896 35.262 0.697 -0.891 1.00 10.78 0.163 HD +ATOM 7029 HG1 THR A 896 33.692 1.253 0.583 1.00 10.87 0.210 HD +ATOM 7030 N LEU A 897 35.763 -2.581 -0.968 1.00 11.73 -0.346 N +ATOM 7031 CA LEU A 897 36.292 -3.863 -1.422 1.00 11.81 0.177 C +ATOM 7032 C LEU A 897 37.751 -4.065 -0.994 1.00 11.20 0.241 C +ATOM 7033 O LEU A 897 38.058 -5.117 -0.445 1.00 11.16 -0.271 OA +ATOM 7034 CB LEU A 897 36.148 -3.954 -2.952 1.00 12.21 0.038 C +ATOM 7035 CG LEU A 897 36.619 -5.273 -3.608 1.00 11.28 -0.020 C +ATOM 7036 CD1 LEU A 897 35.949 -6.520 -3.008 1.00 15.71 0.009 C +ATOM 7037 CD2 LEU A 897 36.372 -5.210 -5.119 1.00 13.62 0.009 C +ATOM 7038 H LEU A 897 35.519 -1.905 -1.680 1.00 11.73 0.163 HD +ATOM 7039 N ARG A 898 38.631 -3.066 -1.179 1.00 11.81 -0.346 N +ATOM 7040 CA ARG A 898 40.030 -3.121 -0.743 1.00 11.61 0.176 C +ATOM 7041 C ARG A 898 40.178 -3.260 0.777 1.00 10.87 0.241 C +ATOM 7042 O ARG A 898 40.993 -4.057 1.232 1.00 12.03 -0.271 OA +ATOM 7043 CB ARG A 898 40.786 -1.865 -1.202 1.00 12.68 0.036 C +ATOM 7044 CG ARG A 898 41.123 -1.873 -2.695 1.00 15.68 0.023 C +ATOM 7045 CD ARG A 898 42.090 -0.745 -3.057 1.00 16.75 0.138 C +ATOM 7046 NE ARG A 898 43.474 -1.156 -2.806 1.00 21.90 -0.227 N +ATOM 7047 CZ ARG A 898 44.398 -0.535 -2.060 1.00 19.14 0.665 C +ATOM 7048 NH1 ARG A 898 44.126 0.590 -1.394 1.00 18.98 -0.235 N +ATOM 7049 NH2 ARG A 898 45.625 -1.056 -1.984 1.00 17.82 -0.235 N +ATOM 7050 H ARG A 898 38.315 -2.218 -1.631 1.00 11.81 0.163 HD +ATOM 7051 HE ARG A 898 43.776 -1.995 -3.290 1.00 21.90 0.177 HD +ATOM 7052 HH11 ARG A 898 43.197 0.990 -1.413 1.00 18.98 0.174 HD +ATOM 7053 HH12 ARG A 898 44.859 1.079 -0.896 1.00 18.98 0.174 HD +ATOM 7054 HH21 ARG A 898 45.854 -1.907 -2.479 1.00 17.82 0.174 HD +ATOM 7055 HH22 ARG A 898 46.334 -0.588 -1.429 1.00 17.82 0.174 HD +ATOM 7056 N ASN A 899 39.372 -2.523 1.555 1.00 10.75 -0.346 N +ATOM 7057 CA ASN A 899 39.361 -2.571 3.015 1.00 10.15 0.185 C +ATOM 7058 C ASN A 899 38.756 -3.873 3.567 1.00 9.72 0.241 C +ATOM 7059 O ASN A 899 39.211 -4.343 4.610 1.00 10.87 -0.271 OA +ATOM 7060 CB ASN A 899 38.607 -1.335 3.569 1.00 9.97 0.137 C +ATOM 7061 CG ASN A 899 39.415 -0.039 3.396 1.00 12.89 0.217 C +ATOM 7062 ND2 ASN A 899 38.777 1.085 3.079 1.00 13.30 -0.370 N +ATOM 7063 OD1 ASN A 899 40.630 -0.051 3.530 1.00 12.20 -0.274 OA +ATOM 7064 H ASN A 899 38.735 -1.875 1.109 1.00 10.75 0.163 HD +ATOM 7065 1HD2 ASN A 899 37.765 1.099 3.012 1.00 13.30 0.159 HD +ATOM 7066 2HD2 ASN A 899 39.309 1.932 2.935 1.00 13.30 0.159 HD +ATOM 7067 N THR A 900 37.802 -4.492 2.847 1.00 9.37 -0.344 N +ATOM 7068 CA THR A 900 37.239 -5.808 3.163 1.00 9.57 0.205 C +ATOM 7069 C THR A 900 38.279 -6.903 2.869 1.00 10.19 0.243 C +ATOM 7070 O THR A 900 38.492 -7.762 3.719 1.00 11.07 -0.271 OA +ATOM 7071 CB THR A 900 35.946 -6.048 2.336 1.00 9.68 0.146 C +ATOM 7072 CG2 THR A 900 35.342 -7.455 2.485 1.00 10.50 0.042 C +ATOM 7073 OG1 THR A 900 34.945 -5.159 2.789 1.00 10.75 -0.393 OA +ATOM 7074 H THR A 900 37.476 -4.042 2.002 1.00 9.37 0.163 HD +ATOM 7075 HG1 THR A 900 35.214 -4.277 2.573 1.00 10.75 0.210 HD +ATOM 7076 N LEU A 901 38.957 -6.855 1.707 1.00 9.64 -0.346 N +ATOM 7077 CA LEU A 901 40.000 -7.805 1.313 1.00 11.05 0.177 C +ATOM 7078 C LEU A 901 41.241 -7.715 2.216 1.00 11.49 0.241 C +ATOM 7079 O LEU A 901 41.791 -8.756 2.564 1.00 10.91 -0.271 OA +ATOM 7080 CB LEU A 901 40.413 -7.571 -0.157 1.00 12.75 0.038 C +ATOM 7081 CG LEU A 901 39.337 -7.919 -1.212 1.00 13.83 -0.020 C +ATOM 7082 CD1 LEU A 901 39.747 -7.365 -2.584 1.00 15.29 0.009 C +ATOM 7083 CD2 LEU A 901 39.043 -9.422 -1.305 1.00 16.16 0.009 C +ATOM 7084 H LEU A 901 38.729 -6.121 1.048 1.00 9.64 0.163 HD +ATOM 7085 N LEU A 902 41.644 -6.505 2.650 1.00 11.53 -0.346 N +ATOM 7086 CA LEU A 902 42.746 -6.286 3.591 1.00 11.70 0.177 C +ATOM 7087 C LEU A 902 42.428 -6.858 4.982 1.00 11.69 0.241 C +ATOM 7088 O LEU A 902 43.320 -7.428 5.602 1.00 12.36 -0.271 OA +ATOM 7089 CB LEU A 902 43.065 -4.776 3.689 1.00 12.22 0.038 C +ATOM 7090 CG LEU A 902 44.293 -4.398 4.557 1.00 12.40 -0.020 C +ATOM 7091 CD1 LEU A 902 45.598 -5.046 4.061 1.00 14.40 0.009 C +ATOM 7092 CD2 LEU A 902 44.455 -2.873 4.632 1.00 12.20 0.009 C +ATOM 7093 H LEU A 902 41.159 -5.686 2.308 1.00 11.53 0.163 HD +ATOM 7094 N SER A 903 41.167 -6.762 5.441 1.00 11.27 -0.344 N +ATOM 7095 CA SER A 903 40.687 -7.340 6.698 1.00 12.48 0.200 C +ATOM 7096 C SER A 903 40.717 -8.879 6.685 1.00 11.93 0.243 C +ATOM 7097 O SER A 903 41.112 -9.476 7.686 1.00 13.73 -0.271 OA +ATOM 7098 CB SER A 903 39.264 -6.812 6.975 1.00 12.96 0.199 C +ATOM 7099 OG SER A 903 38.723 -7.298 8.187 1.00 16.87 -0.398 OA +ATOM 7100 H SER A 903 40.488 -6.284 4.865 1.00 11.27 0.163 HD +ATOM 7101 HG SER A 903 39.231 -6.939 8.904 1.00 16.87 0.209 HD +ATOM 7102 N LEU A 904 40.364 -9.507 5.549 1.00 11.57 -0.346 N +ATOM 7103 CA LEU A 904 40.420 -10.955 5.349 1.00 12.53 0.177 C +ATOM 7104 C LEU A 904 41.876 -11.458 5.283 1.00 13.16 0.241 C +ATOM 7105 O LEU A 904 42.185 -12.486 5.880 1.00 13.03 -0.271 OA +ATOM 7106 CB LEU A 904 39.669 -11.330 4.048 1.00 12.61 0.038 C +ATOM 7107 CG LEU A 904 38.146 -11.061 4.060 1.00 12.49 -0.020 C +ATOM 7108 CD1 LEU A 904 37.547 -11.234 2.656 1.00 15.21 0.009 C +ATOM 7109 CD2 LEU A 904 37.386 -11.930 5.071 1.00 14.05 0.009 C +ATOM 7110 H LEU A 904 40.048 -8.945 4.770 1.00 11.57 0.163 HD +ATOM 7111 N LEU A 905 42.786 -10.721 4.622 1.00 13.98 -0.346 N +ATOM 7112 CA LEU A 905 44.209 -11.060 4.516 1.00 14.90 0.177 C +ATOM 7113 C LEU A 905 44.967 -10.860 5.842 1.00 15.54 0.241 C +ATOM 7114 O LEU A 905 45.922 -11.587 6.108 1.00 15.57 -0.271 OA +ATOM 7115 CB LEU A 905 44.864 -10.163 3.444 1.00 15.02 0.038 C +ATOM 7116 CG LEU A 905 44.422 -10.465 1.999 1.00 15.20 -0.020 C +ATOM 7117 CD1 LEU A 905 44.721 -9.273 1.079 1.00 14.31 0.009 C +ATOM 7118 CD2 LEU A 905 45.076 -11.738 1.452 1.00 17.55 0.009 C +ATOM 7119 H LEU A 905 42.472 -9.883 4.149 1.00 13.98 0.163 HD +ATOM 7120 N SER A 906 44.531 -9.906 6.682 1.00 14.47 -0.344 N +ATOM 7121 CA SER A 906 45.129 -9.606 7.983 1.00 16.30 0.200 C +ATOM 7122 C SER A 906 44.679 -10.612 9.053 1.00 16.30 0.243 C +ATOM 7123 O SER A 906 45.482 -10.969 9.913 1.00 16.83 -0.271 OA +ATOM 7124 CB SER A 906 44.674 -8.207 8.426 1.00 16.52 0.199 C +ATOM 7125 OG SER A 906 45.280 -7.232 7.606 1.00 21.33 -0.398 OA +ATOM 7126 H SER A 906 43.749 -9.336 6.389 1.00 14.47 0.163 HD +ATOM 7127 HG SER A 906 44.904 -7.300 6.739 1.00 21.33 0.209 HD +ATOM 7128 N LYS A 907 43.430 -11.109 8.970 1.00 16.93 -0.346 N +ATOM 7129 CA LYS A 907 42.898 -12.180 9.816 1.00 18.53 0.176 C +ATOM 7130 C LYS A 907 43.484 -13.553 9.457 1.00 19.10 0.241 C +ATOM 7131 O LYS A 907 43.637 -14.398 10.339 1.00 20.53 -0.271 OA +ATOM 7132 CB LYS A 907 41.359 -12.242 9.669 1.00 19.48 0.035 C +ATOM 7133 CG LYS A 907 40.672 -11.290 10.654 1.00 22.63 0.004 C +ATOM 7134 CD LYS A 907 39.152 -11.464 10.794 1.00 29.68 0.027 C +ATOM 7135 CE LYS A 907 38.328 -10.383 10.087 1.00 32.55 0.229 C +ATOM 7136 NZ LYS A 907 38.452 -9.081 10.763 1.00 34.59 -0.079 N +ATOM 7137 H LYS A 907 42.825 -10.759 8.239 1.00 16.93 0.163 HD +ATOM 7138 HZ1 LYS A 907 38.169 -9.166 11.729 1.00 34.59 0.274 HD +ATOM 7139 HZ2 LYS A 907 39.415 -8.777 10.732 1.00 34.59 0.274 HD +ATOM 7140 HZ3 LYS A 907 37.876 -8.398 10.293 1.00 34.59 0.274 HD +ATOM 7141 N ALA A 908 43.835 -13.761 8.178 1.00 18.87 -0.346 N +ATOM 7142 CA ALA A 908 44.483 -14.967 7.670 1.00 19.87 0.172 C +ATOM 7143 C ALA A 908 45.987 -15.005 7.974 1.00 21.11 0.240 C +ATOM 7144 O ALA A 908 46.594 -16.065 7.817 1.00 22.51 -0.271 OA +ATOM 7145 CB ALA A 908 44.321 -14.984 6.144 1.00 19.97 0.042 C +ATOM 7146 H ALA A 908 43.642 -13.029 7.509 1.00 18.87 0.163 HD +ATOM 7147 N GLN A 909 46.585 -13.866 8.376 1.00 20.21 -0.346 N +ATOM 7148 CA GLN A 909 48.011 -13.678 8.661 1.00 21.55 0.177 C +ATOM 7149 C GLN A 909 48.845 -13.901 7.389 1.00 20.50 0.241 C +ATOM 7150 O GLN A 909 49.884 -14.562 7.431 1.00 20.58 -0.271 OA +ATOM 7151 CB GLN A 909 48.472 -14.539 9.869 1.00 22.48 0.044 C +ATOM 7152 CG GLN A 909 47.830 -14.122 11.207 1.00 23.88 0.105 C +ATOM 7153 CD GLN A 909 48.402 -12.815 11.758 1.00 26.47 0.215 C +ATOM 7154 NE2 GLN A 909 49.680 -12.824 12.140 1.00 27.22 -0.370 N +ATOM 7155 OE1 GLN A 909 47.701 -11.812 11.838 1.00 27.72 -0.274 OA +ATOM 7156 H GLN A 909 45.999 -13.049 8.480 1.00 20.21 0.163 HD +ATOM 7157 1HE2 GLN A 909 50.226 -13.670 12.064 1.00 27.22 0.159 HD +ATOM 7158 2HE2 GLN A 909 50.093 -11.990 12.536 1.00 27.22 0.159 HD +ATOM 7159 N TYR A 910 48.354 -13.372 6.251 1.00 19.27 -0.346 N +ATOM 7160 CA TYR A 910 48.917 -13.533 4.912 1.00 18.48 0.181 C +ATOM 7161 C TYR A 910 50.374 -13.026 4.865 1.00 18.45 0.243 C +ATOM 7162 O TYR A 910 50.626 -11.965 5.438 1.00 17.24 -0.271 OA +ATOM 7163 CB TYR A 910 48.025 -12.779 3.905 1.00 17.55 0.073 C +ATOM 7164 CG TYR A 910 48.379 -13.035 2.453 1.00 17.97 -0.056 A +ATOM 7165 CD1 TYR A 910 47.973 -14.241 1.851 1.00 16.78 0.010 A +ATOM 7166 CD2 TYR A 910 49.126 -12.097 1.708 1.00 15.58 0.010 A +ATOM 7167 CE1 TYR A 910 48.288 -14.504 0.506 1.00 18.47 0.037 A +ATOM 7168 CE2 TYR A 910 49.453 -12.368 0.365 1.00 17.15 0.037 A +ATOM 7169 CZ TYR A 910 49.022 -13.565 -0.241 1.00 17.49 0.065 A +ATOM 7170 OH TYR A 910 49.316 -13.821 -1.548 1.00 20.63 -0.361 OA +ATOM 7171 H TYR A 910 47.495 -12.840 6.318 1.00 19.27 0.163 HD +ATOM 7172 HH TYR A 910 48.996 -14.669 -1.838 1.00 20.63 0.217 HD +ATOM 7173 N PRO A 911 51.332 -13.763 4.249 1.00 19.41 -0.337 N +ATOM 7174 CA PRO A 911 52.758 -13.404 4.170 1.00 21.22 0.179 C +ATOM 7175 C PRO A 911 53.042 -11.938 3.805 1.00 21.51 0.241 C +ATOM 7176 O PRO A 911 52.718 -11.490 2.705 1.00 21.44 -0.271 OA +ATOM 7177 CB PRO A 911 53.357 -14.364 3.133 1.00 21.45 0.037 C +ATOM 7178 CG PRO A 911 52.494 -15.605 3.241 1.00 21.09 0.022 C +ATOM 7179 CD PRO A 911 51.116 -15.077 3.633 1.00 19.54 0.127 C +ATOM 7180 N ASN A 912 53.611 -11.200 4.772 1.00 23.30 -0.346 N +ATOM 7181 CA ASN A 912 54.106 -9.826 4.658 1.00 23.85 0.185 C +ATOM 7182 C ASN A 912 53.001 -8.753 4.608 1.00 22.69 0.241 C +ATOM 7183 O ASN A 912 53.299 -7.611 4.264 1.00 23.31 -0.271 OA +ATOM 7184 CB ASN A 912 55.171 -9.658 3.540 1.00 25.69 0.137 C +ATOM 7185 CG ASN A 912 56.345 -10.632 3.654 1.00 30.67 0.217 C +ATOM 7186 ND2 ASN A 912 57.175 -10.476 4.687 1.00 33.94 -0.370 N +ATOM 7187 OD1 ASN A 912 56.517 -11.500 2.801 1.00 37.46 -0.274 OA +ATOM 7188 H ASN A 912 53.811 -11.666 5.648 1.00 23.30 0.163 HD +ATOM 7189 1HD2 ASN A 912 57.023 -9.733 5.355 1.00 33.94 0.159 HD +ATOM 7190 2HD2 ASN A 912 57.971 -11.089 4.778 1.00 33.94 0.159 HD +ATOM 7191 N ILE A 913 51.742 -9.094 4.948 1.00 20.50 -0.346 N +ATOM 7192 CA ILE A 913 50.581 -8.196 4.883 1.00 18.98 0.180 C +ATOM 7193 C ILE A 913 50.694 -6.977 5.818 1.00 19.27 0.241 C +ATOM 7194 O ILE A 913 50.089 -5.955 5.515 1.00 18.68 -0.271 OA +ATOM 7195 CB ILE A 913 49.269 -8.996 5.126 1.00 17.87 0.013 C +ATOM 7196 CG1 ILE A 913 47.992 -8.269 4.639 1.00 16.53 0.002 C +ATOM 7197 CG2 ILE A 913 49.086 -9.439 6.591 1.00 18.62 0.012 C +ATOM 7198 CD1 ILE A 913 47.898 -8.124 3.112 1.00 15.94 0.005 C +ATOM 7199 H ILE A 913 51.567 -10.053 5.216 1.00 20.50 0.163 HD +ATOM 7200 N LEU A 914 51.500 -7.036 6.897 1.00 20.01 -0.346 N +ATOM 7201 CA LEU A 914 51.789 -5.893 7.770 1.00 20.35 0.177 C +ATOM 7202 C LEU A 914 52.505 -4.744 7.035 1.00 20.46 0.241 C +ATOM 7203 O LEU A 914 52.315 -3.589 7.407 1.00 19.43 -0.271 OA +ATOM 7204 CB LEU A 914 52.582 -6.363 9.011 1.00 21.24 0.038 C +ATOM 7205 CG LEU A 914 52.837 -5.291 10.103 1.00 21.48 -0.020 C +ATOM 7206 CD1 LEU A 914 51.540 -4.642 10.616 1.00 22.70 0.009 C +ATOM 7207 CD2 LEU A 914 53.635 -5.890 11.272 1.00 22.23 0.009 C +ATOM 7208 H LEU A 914 51.980 -7.905 7.093 1.00 20.01 0.163 HD +ATOM 7209 N ASN A 915 53.251 -5.031 5.953 1.00 20.48 -0.346 N +ATOM 7210 CA ASN A 915 53.845 -4.016 5.078 1.00 21.68 0.185 C +ATOM 7211 C ASN A 915 52.760 -3.261 4.291 1.00 20.66 0.241 C +ATOM 7212 O ASN A 915 52.864 -2.043 4.153 1.00 20.17 -0.271 OA +ATOM 7213 CB ASN A 915 54.838 -4.657 4.077 1.00 22.74 0.137 C +ATOM 7214 CG ASN A 915 56.029 -5.400 4.700 1.00 26.27 0.217 C +ATOM 7215 ND2 ASN A 915 56.448 -5.035 5.915 1.00 27.54 -0.370 N +ATOM 7216 OD1 ASN A 915 56.594 -6.289 4.068 1.00 31.42 -0.274 OA +ATOM 7217 H ASN A 915 53.337 -5.998 5.669 1.00 20.48 0.163 HD +ATOM 7218 1HD2 ASN A 915 55.979 -4.291 6.411 1.00 27.54 0.159 HD +ATOM 7219 2HD2 ASN A 915 57.239 -5.504 6.332 1.00 27.54 0.159 HD +ATOM 7220 N GLU A 916 51.696 -3.954 3.841 1.00 19.37 -0.346 N +ATOM 7221 CA GLU A 916 50.540 -3.355 3.172 1.00 18.30 0.177 C +ATOM 7222 C GLU A 916 49.706 -2.528 4.163 1.00 17.14 0.241 C +ATOM 7223 O GLU A 916 49.284 -1.441 3.787 1.00 17.12 -0.271 OA +ATOM 7224 CB GLU A 916 49.633 -4.446 2.550 1.00 18.52 0.045 C +ATOM 7225 CG GLU A 916 49.967 -4.782 1.085 1.00 23.99 0.116 C +ATOM 7226 CD GLU A 916 51.314 -5.471 0.881 1.00 29.64 0.172 C +ATOM 7227 OE1 GLU A 916 51.712 -6.260 1.765 1.00 33.52 -0.648 OA +ATOM 7228 OE2 GLU A 916 51.905 -5.228 -0.194 1.00 29.60 -0.648 OA +ATOM 7229 H GLU A 916 51.677 -4.954 3.983 1.00 19.37 0.163 HD +ATOM 7230 N ILE A 917 49.504 -3.002 5.408 1.00 16.53 -0.346 N +ATOM 7231 CA ILE A 917 48.770 -2.308 6.476 1.00 16.30 0.180 C +ATOM 7232 C ILE A 917 49.447 -0.973 6.849 1.00 16.65 0.241 C +ATOM 7233 O ILE A 917 48.759 0.039 6.964 1.00 15.75 -0.271 OA +ATOM 7234 CB ILE A 917 48.618 -3.233 7.723 1.00 16.06 0.013 C +ATOM 7235 CG1 ILE A 917 47.812 -4.514 7.409 1.00 15.99 0.002 C +ATOM 7236 CG2 ILE A 917 47.995 -2.512 8.937 1.00 16.46 0.012 C +ATOM 7237 CD1 ILE A 917 47.882 -5.580 8.518 1.00 16.22 0.005 C +ATOM 7238 H ILE A 917 49.880 -3.916 5.627 1.00 16.53 0.163 HD +ATOM 7239 N ILE A 918 50.781 -0.961 7.011 1.00 18.17 -0.346 N +ATOM 7240 CA ILE A 918 51.561 0.229 7.364 1.00 18.69 0.180 C +ATOM 7241 C ILE A 918 51.629 1.247 6.209 1.00 18.46 0.241 C +ATOM 7242 O ILE A 918 51.636 2.444 6.489 1.00 19.40 -0.271 OA +ATOM 7243 CB ILE A 918 52.971 -0.204 7.866 1.00 20.52 0.013 C +ATOM 7244 CG1 ILE A 918 52.889 -0.987 9.204 1.00 21.58 0.002 C +ATOM 7245 CG2 ILE A 918 54.003 0.940 7.980 1.00 20.56 0.012 C +ATOM 7246 CD1 ILE A 918 52.432 -0.170 10.422 1.00 23.30 0.005 C +ATOM 7247 H ILE A 918 51.285 -1.833 6.908 1.00 18.17 0.163 HD +ATOM 7248 N GLU A 919 51.601 0.818 4.934 1.00 18.09 -0.346 N +ATOM 7249 CA GLU A 919 51.488 1.744 3.800 1.00 18.88 0.177 C +ATOM 7250 C GLU A 919 50.054 2.271 3.636 1.00 17.34 0.241 C +ATOM 7251 O GLU A 919 49.881 3.397 3.174 1.00 18.01 -0.271 OA +ATOM 7252 CB GLU A 919 51.906 1.044 2.485 1.00 19.60 0.045 C +ATOM 7253 CG GLU A 919 53.420 0.789 2.332 1.00 25.81 0.116 C +ATOM 7254 CD GLU A 919 54.287 2.017 2.614 1.00 32.60 0.172 C +ATOM 7255 OE1 GLU A 919 54.132 3.018 1.882 1.00 33.58 -0.648 OA +ATOM 7256 OE2 GLU A 919 55.062 1.951 3.594 1.00 33.87 -0.648 OA +ATOM 7257 H GLU A 919 51.607 -0.174 4.742 1.00 18.09 0.163 HD +ATOM 7258 N HIS A 920 49.035 1.505 4.058 1.00 16.96 -0.346 N +ATOM 7259 CA HIS A 920 47.626 1.891 4.017 1.00 15.67 0.182 C +ATOM 7260 C HIS A 920 47.266 2.907 5.120 1.00 15.00 0.241 C +ATOM 7261 O HIS A 920 46.297 3.650 4.965 1.00 15.98 -0.271 OA +ATOM 7262 CB HIS A 920 46.786 0.614 4.191 1.00 15.05 0.095 C +ATOM 7263 CG HIS A 920 45.405 0.691 3.618 1.00 14.91 0.053 A +ATOM 7264 CD2 HIS A 920 44.197 0.484 4.243 1.00 14.68 0.116 A +ATOM 7265 ND1 HIS A 920 45.186 0.929 2.258 1.00 17.54 -0.247 NA +ATOM 7266 CE1 HIS A 920 43.875 0.854 2.110 1.00 17.31 0.207 A +ATOM 7267 NE2 HIS A 920 43.245 0.598 3.252 1.00 13.65 -0.359 N +ATOM 7268 H HIS A 920 49.248 0.587 4.425 1.00 16.96 0.163 HD +ATOM 7269 HE2 HIS A 920 42.244 0.476 3.365 1.00 0.00 0.166 HD +ATOM 7270 N SER A 921 48.074 2.979 6.195 1.00 15.79 -0.344 N +ATOM 7271 CA SER A 921 47.978 3.971 7.268 1.00 15.42 0.200 C +ATOM 7272 C SER A 921 48.449 5.373 6.836 1.00 15.98 0.243 C +ATOM 7273 O SER A 921 48.103 6.353 7.493 1.00 16.48 -0.271 OA +ATOM 7274 CB SER A 921 48.780 3.472 8.498 1.00 15.94 0.199 C +ATOM 7275 OG SER A 921 50.167 3.749 8.466 1.00 17.11 -0.398 OA +ATOM 7276 H SER A 921 48.832 2.312 6.253 1.00 15.79 0.163 HD +ATOM 7277 HG SER A 921 50.564 3.266 7.752 1.00 17.11 0.209 HD +ATOM 7278 N LYS A 922 49.214 5.464 5.735 1.00 15.74 -0.346 N +ATOM 7279 CA LYS A 922 49.764 6.695 5.168 1.00 17.08 0.176 C +ATOM 7280 C LYS A 922 48.851 7.283 4.072 1.00 16.71 0.241 C +ATOM 7281 O LYS A 922 49.229 8.264 3.432 1.00 16.98 -0.271 OA +ATOM 7282 CB LYS A 922 51.139 6.368 4.544 1.00 18.10 0.035 C +ATOM 7283 CG LYS A 922 52.168 5.845 5.563 1.00 20.22 0.004 C +ATOM 7284 CD LYS A 922 53.464 5.369 4.894 1.00 22.54 0.027 C +ATOM 7285 CE LYS A 922 54.432 4.713 5.887 1.00 23.93 0.229 C +ATOM 7286 NZ LYS A 922 55.629 4.198 5.203 1.00 27.71 -0.079 N +ATOM 7287 H LYS A 922 49.436 4.606 5.249 1.00 15.74 0.163 HD +ATOM 7288 HZ1 LYS A 922 56.081 4.943 4.693 1.00 27.71 0.274 HD +ATOM 7289 HZ2 LYS A 922 56.271 3.809 5.879 1.00 27.71 0.274 HD +ATOM 7290 HZ3 LYS A 922 55.359 3.466 4.550 1.00 27.71 0.274 HD +ATOM 7291 N SER A 923 47.648 6.715 3.870 1.00 15.67 -0.344 N +ATOM 7292 CA SER A 923 46.641 7.172 2.915 1.00 15.63 0.200 C +ATOM 7293 C SER A 923 46.063 8.547 3.321 1.00 14.82 0.245 C +ATOM 7294 O SER A 923 45.850 8.771 4.509 1.00 16.07 -0.271 OA +ATOM 7295 CB SER A 923 45.497 6.139 2.895 1.00 14.77 0.199 C +ATOM 7296 OG SER A 923 44.486 6.513 1.979 1.00 14.16 -0.398 OA +ATOM 7297 H SER A 923 47.407 5.914 4.437 1.00 15.67 0.163 HD +ATOM 7298 HG SER A 923 44.871 6.506 1.109 1.00 14.16 0.209 HD +ATOM 7299 N PRO A 924 45.778 9.465 2.372 1.00 14.36 -0.337 N +ATOM 7300 CA PRO A 924 44.967 10.676 2.599 1.00 14.10 0.179 C +ATOM 7301 C PRO A 924 43.497 10.441 3.024 1.00 13.38 0.241 C +ATOM 7302 O PRO A 924 42.874 11.379 3.513 1.00 13.74 -0.271 OA +ATOM 7303 CB PRO A 924 44.943 11.383 1.232 1.00 14.85 0.037 C +ATOM 7304 CG PRO A 924 46.197 10.905 0.530 1.00 16.63 0.022 C +ATOM 7305 CD PRO A 924 46.435 9.499 1.068 1.00 15.15 0.127 C +ATOM 7306 N TYR A 925 42.928 9.242 2.799 1.00 11.77 -0.346 N +ATOM 7307 CA TYR A 925 41.510 8.931 3.015 1.00 11.47 0.181 C +ATOM 7308 C TYR A 925 41.304 8.265 4.392 1.00 10.98 0.243 C +ATOM 7309 O TYR A 925 41.840 7.175 4.598 1.00 10.72 -0.271 OA +ATOM 7310 CB TYR A 925 41.074 7.912 1.937 1.00 11.52 0.073 C +ATOM 7311 CG TYR A 925 40.897 8.519 0.559 1.00 10.72 -0.056 A +ATOM 7312 CD1 TYR A 925 39.814 9.390 0.323 1.00 11.24 0.010 A +ATOM 7313 CD2 TYR A 925 41.808 8.234 -0.480 1.00 11.86 0.010 A +ATOM 7314 CE1 TYR A 925 39.649 9.989 -0.939 1.00 13.15 0.037 A +ATOM 7315 CE2 TYR A 925 41.639 8.829 -1.745 1.00 12.27 0.037 A +ATOM 7316 CZ TYR A 925 40.563 9.710 -1.973 1.00 13.35 0.065 A +ATOM 7317 OH TYR A 925 40.399 10.303 -3.191 1.00 14.24 -0.361 OA +ATOM 7318 H TYR A 925 43.500 8.507 2.407 1.00 11.77 0.163 HD +ATOM 7319 HH TYR A 925 41.048 10.034 -3.827 1.00 14.24 0.217 HD +ATOM 7320 N PRO A 926 40.532 8.871 5.330 1.00 11.41 -0.337 N +ATOM 7321 CA PRO A 926 40.136 8.286 6.627 1.00 11.77 0.179 C +ATOM 7322 C PRO A 926 39.574 6.861 6.629 1.00 11.69 0.241 C +ATOM 7323 O PRO A 926 39.830 6.137 7.587 1.00 11.42 -0.271 OA +ATOM 7324 CB PRO A 926 39.118 9.256 7.224 1.00 11.87 0.037 C +ATOM 7325 CG PRO A 926 39.535 10.592 6.654 1.00 10.38 0.022 C +ATOM 7326 CD PRO A 926 40.078 10.263 5.265 1.00 11.12 0.127 C +ATOM 7327 N SER A 927 38.860 6.436 5.572 1.00 10.77 -0.344 N +ATOM 7328 CA SER A 927 38.369 5.064 5.414 1.00 10.34 0.200 C +ATOM 7329 C SER A 927 39.505 4.037 5.344 1.00 10.92 0.243 C +ATOM 7330 O SER A 927 39.349 2.934 5.859 1.00 11.20 -0.271 OA +ATOM 7331 CB SER A 927 37.513 4.952 4.140 1.00 10.68 0.199 C +ATOM 7332 OG SER A 927 36.190 5.336 4.427 1.00 10.84 -0.398 OA +ATOM 7333 H SER A 927 38.657 7.089 4.825 1.00 10.77 0.163 HD +ATOM 7334 HG SER A 927 35.794 4.659 4.957 1.00 10.84 0.209 HD +ATOM 7335 N ASN A 928 40.646 4.410 4.746 1.00 10.11 -0.345 N +ATOM 7336 CA ASN A 928 41.818 3.557 4.597 1.00 10.93 0.185 C +ATOM 7337 C ASN A 928 42.700 3.577 5.850 1.00 10.91 0.241 C +ATOM 7338 O ASN A 928 43.075 2.500 6.306 1.00 11.03 -0.271 OA +ATOM 7339 CB ASN A 928 42.662 4.033 3.398 1.00 11.80 0.137 C +ATOM 7340 CG ASN A 928 41.979 3.824 2.044 1.00 10.31 0.217 C +ATOM 7341 ND2 ASN A 928 42.426 4.565 1.031 1.00 10.63 -0.370 N +ATOM 7342 OD1 ASN A 928 41.065 3.013 1.909 1.00 10.74 -0.274 OA +ATOM 7343 H ASN A 928 40.713 5.352 4.386 1.00 10.11 0.163 HD +ATOM 7344 1HD2 ASN A 928 43.171 5.230 1.195 1.00 10.63 0.159 HD +ATOM 7345 2HD2 ASN A 928 42.067 4.429 0.094 1.00 10.63 0.159 HD +ATOM 7346 N TRP A 929 43.029 4.749 6.431 1.00 12.01 -0.346 N +ATOM 7347 CA TRP A 929 43.913 4.785 7.603 1.00 12.25 0.181 C +ATOM 7348 C TRP A 929 43.213 4.425 8.924 1.00 11.78 0.241 C +ATOM 7349 O TRP A 929 43.906 4.021 9.854 1.00 13.35 -0.271 OA +ATOM 7350 CB TRP A 929 44.680 6.114 7.732 1.00 12.21 0.075 C +ATOM 7351 CG TRP A 929 43.954 7.420 7.851 1.00 13.29 -0.028 A +ATOM 7352 CD1 TRP A 929 43.798 8.291 6.835 1.00 12.62 0.096 A +ATOM 7353 CD2 TRP A 929 43.365 8.073 9.019 1.00 11.16 -0.002 A +ATOM 7354 CE2 TRP A 929 42.945 9.383 8.634 1.00 12.02 0.042 A +ATOM 7355 CE3 TRP A 929 43.126 7.703 10.363 1.00 13.10 0.014 A +ATOM 7356 NE1 TRP A 929 43.265 9.468 7.300 1.00 14.42 -0.365 N +ATOM 7357 CZ2 TRP A 929 42.329 10.275 9.522 1.00 11.89 0.030 A +ATOM 7358 CZ3 TRP A 929 42.503 8.587 11.265 1.00 12.27 0.001 A +ATOM 7359 CH2 TRP A 929 42.104 9.871 10.847 1.00 12.42 0.002 A +ATOM 7360 H TRP A 929 42.698 5.620 6.038 1.00 12.01 0.163 HD +ATOM 7361 HE1 TRP A 929 43.129 10.288 6.717 1.00 14.42 0.165 HD +ATOM 7362 N LEU A 930 41.872 4.469 9.011 1.00 12.05 -0.346 N +ATOM 7363 CA LEU A 930 41.146 3.851 10.124 1.00 11.59 0.177 C +ATOM 7364 C LEU A 930 40.947 2.346 9.880 1.00 11.91 0.241 C +ATOM 7365 O LEU A 930 40.916 1.600 10.858 1.00 13.20 -0.271 OA +ATOM 7366 CB LEU A 930 39.768 4.509 10.328 1.00 11.11 0.038 C +ATOM 7367 CG LEU A 930 39.818 5.938 10.917 1.00 13.11 -0.020 C +ATOM 7368 CD1 LEU A 930 38.423 6.576 10.909 1.00 12.93 0.009 C +ATOM 7369 CD2 LEU A 930 40.401 5.968 12.341 1.00 12.56 0.009 C +ATOM 7370 H LEU A 930 41.333 4.844 8.242 1.00 12.05 0.163 HD +ATOM 7371 N THR A 931 40.900 1.859 8.621 1.00 11.74 -0.344 N +ATOM 7372 CA THR A 931 40.962 0.415 8.353 1.00 11.88 0.205 C +ATOM 7373 C THR A 931 42.332 -0.138 8.767 1.00 12.39 0.243 C +ATOM 7374 O THR A 931 42.363 -1.196 9.384 1.00 11.55 -0.271 OA +ATOM 7375 CB THR A 931 40.655 0.052 6.881 1.00 12.67 0.146 C +ATOM 7376 CG2 THR A 931 40.851 -1.448 6.568 1.00 13.65 0.042 C +ATOM 7377 OG1 THR A 931 39.290 0.311 6.646 1.00 12.11 -0.393 OA +ATOM 7378 H THR A 931 40.935 2.494 7.837 1.00 11.74 0.163 HD +ATOM 7379 HG1 THR A 931 39.185 1.249 6.541 1.00 12.11 0.210 HD +ATOM 7380 N SER A 932 43.435 0.585 8.498 1.00 12.98 -0.344 N +ATOM 7381 CA SER A 932 44.794 0.229 8.910 1.00 13.43 0.200 C +ATOM 7382 C SER A 932 44.932 -0.013 10.429 1.00 13.66 0.243 C +ATOM 7383 O SER A 932 45.625 -0.947 10.820 1.00 13.40 -0.271 OA +ATOM 7384 CB SER A 932 45.803 1.260 8.372 1.00 14.28 0.199 C +ATOM 7385 OG SER A 932 46.008 2.351 9.242 1.00 16.17 -0.398 OA +ATOM 7386 H SER A 932 43.323 1.443 7.973 1.00 12.98 0.163 HD +ATOM 7387 HG SER A 932 45.190 2.816 9.361 1.00 16.17 0.209 HD +ATOM 7388 N LEU A 933 44.224 0.774 11.265 1.00 13.35 -0.346 N +ATOM 7389 CA LEU A 933 44.140 0.589 12.714 1.00 13.81 0.177 C +ATOM 7390 C LEU A 933 43.395 -0.708 13.070 1.00 13.68 0.241 C +ATOM 7391 O LEU A 933 43.904 -1.493 13.868 1.00 14.70 -0.271 OA +ATOM 7392 CB LEU A 933 43.444 1.810 13.366 1.00 12.52 0.038 C +ATOM 7393 CG LEU A 933 43.137 1.673 14.879 1.00 13.63 -0.020 C +ATOM 7394 CD1 LEU A 933 44.410 1.416 15.699 1.00 14.21 0.009 C +ATOM 7395 CD2 LEU A 933 42.394 2.898 15.419 1.00 13.13 0.009 C +ATOM 7396 H LEU A 933 43.670 1.516 10.863 1.00 13.35 0.163 HD +ATOM 7397 N SER A 934 42.204 -0.937 12.491 1.00 13.66 -0.344 N +ATOM 7398 CA SER A 934 41.371 -2.108 12.768 1.00 14.76 0.200 C +ATOM 7399 C SER A 934 42.048 -3.441 12.394 1.00 14.20 0.243 C +ATOM 7400 O SER A 934 42.013 -4.379 13.187 1.00 14.55 -0.271 OA +ATOM 7401 CB SER A 934 40.001 -1.950 12.081 1.00 16.31 0.199 C +ATOM 7402 OG SER A 934 40.032 -2.126 10.682 1.00 23.69 -0.398 OA +ATOM 7403 H SER A 934 41.844 -0.247 11.846 1.00 13.66 0.163 HD +ATOM 7404 HG SER A 934 40.636 -1.499 10.310 1.00 23.69 0.209 HD +ATOM 7405 N VAL A 935 42.688 -3.517 11.216 1.00 13.60 -0.346 N +ATOM 7406 CA VAL A 935 43.320 -4.731 10.695 1.00 14.35 0.180 C +ATOM 7407 C VAL A 935 44.717 -4.976 11.307 1.00 15.07 0.241 C +ATOM 7408 O VAL A 935 45.199 -6.105 11.250 1.00 16.20 -0.271 OA +ATOM 7409 CB VAL A 935 43.409 -4.645 9.147 1.00 14.81 0.009 C +ATOM 7410 CG1 VAL A 935 42.036 -4.448 8.481 1.00 13.90 0.012 C +ATOM 7411 CG2 VAL A 935 44.426 -3.618 8.631 1.00 12.37 0.012 C +ATOM 7412 H VAL A 935 42.689 -2.701 10.617 1.00 13.60 0.163 HD +ATOM 7413 N SER A 936 45.351 -3.961 11.927 1.00 14.89 -0.344 N +ATOM 7414 CA SER A 936 46.605 -4.115 12.677 1.00 15.65 0.200 C +ATOM 7415 C SER A 936 46.393 -4.686 14.092 1.00 15.69 0.243 C +ATOM 7416 O SER A 936 47.378 -4.897 14.793 1.00 16.12 -0.271 OA +ATOM 7417 CB SER A 936 47.345 -2.767 12.768 1.00 15.79 0.199 C +ATOM 7418 OG SER A 936 46.720 -1.828 13.619 1.00 15.51 -0.398 OA +ATOM 7419 H SER A 936 44.914 -3.050 11.930 1.00 14.89 0.163 HD +ATOM 7420 HG SER A 936 45.850 -1.646 13.293 1.00 15.51 0.209 HD +ATOM 7421 N ALA A 937 45.141 -4.973 14.499 1.00 15.21 -0.346 N +ATOM 7422 CA ALA A 937 44.771 -5.587 15.778 1.00 16.28 0.172 C +ATOM 7423 C ALA A 937 45.344 -7.001 15.985 1.00 17.57 0.240 C +ATOM 7424 O ALA A 937 45.501 -7.432 17.128 1.00 18.16 -0.271 OA +ATOM 7425 CB ALA A 937 43.238 -5.629 15.880 1.00 15.83 0.042 C +ATOM 7426 H ALA A 937 44.385 -4.761 13.864 1.00 15.21 0.163 HD +ATOM 7427 N TYR A 938 45.687 -7.692 14.888 1.00 18.31 -0.346 N +ATOM 7428 CA TYR A 938 46.296 -9.022 14.857 1.00 20.17 0.180 C +ATOM 7429 C TYR A 938 47.836 -8.943 14.800 1.00 21.15 0.241 C +ATOM 7430 O TYR A 938 48.487 -9.972 14.626 1.00 22.58 -0.271 OA +ATOM 7431 CB TYR A 938 45.799 -9.734 13.579 1.00 20.74 0.073 C +ATOM 7432 CG TYR A 938 44.290 -9.719 13.441 1.00 21.09 -0.056 A +ATOM 7433 CD1 TYR A 938 43.492 -10.438 14.352 1.00 21.69 0.010 A +ATOM 7434 CD2 TYR A 938 43.682 -8.920 12.452 1.00 19.98 0.010 A +ATOM 7435 CE1 TYR A 938 42.091 -10.333 14.294 1.00 22.54 0.037 A +ATOM 7436 CE2 TYR A 938 42.282 -8.804 12.400 1.00 20.68 0.037 A +ATOM 7437 CZ TYR A 938 41.487 -9.506 13.325 1.00 21.19 0.065 A +ATOM 7438 OH TYR A 938 40.131 -9.402 13.260 1.00 21.16 -0.361 OA +ATOM 7439 H TYR A 938 45.523 -7.253 13.993 1.00 18.31 0.163 HD +ATOM 7440 HH TYR A 938 39.703 -9.874 13.969 1.00 21.16 0.217 HD +ATOM 7441 N PHE A 939 48.415 -7.738 14.944 1.00 20.22 -0.346 N +ATOM 7442 CA PHE A 939 49.837 -7.433 14.815 1.00 21.21 0.180 C +ATOM 7443 C PHE A 939 50.327 -6.585 15.997 1.00 22.29 0.241 C +ATOM 7444 O PHE A 939 49.552 -5.884 16.651 1.00 22.40 -0.271 OA +ATOM 7445 CB PHE A 939 50.115 -6.775 13.445 1.00 20.38 0.073 C +ATOM 7446 CG PHE A 939 49.827 -7.671 12.251 1.00 20.43 -0.056 A +ATOM 7447 CD1 PHE A 939 50.793 -8.599 11.811 1.00 22.18 0.007 A +ATOM 7448 CD2 PHE A 939 48.580 -7.604 11.595 1.00 18.52 0.007 A +ATOM 7449 CE1 PHE A 939 50.507 -9.467 10.741 1.00 22.48 0.001 A +ATOM 7450 CE2 PHE A 939 48.293 -8.472 10.524 1.00 21.03 0.001 A +ATOM 7451 CZ PHE A 939 49.254 -9.409 10.103 1.00 20.61 0.000 A +ATOM 7452 H PHE A 939 47.809 -6.945 15.110 1.00 20.22 0.163 HD +ATOM 7453 N ASP A 940 51.643 -6.650 16.249 1.00 24.23 -0.345 N +ATOM 7454 CA ASP A 940 52.390 -5.940 17.294 1.00 24.98 0.186 C +ATOM 7455 C ASP A 940 52.483 -4.412 17.081 1.00 24.68 0.241 C +ATOM 7456 O ASP A 940 52.925 -3.714 17.992 1.00 25.82 -0.271 OA +ATOM 7457 CB ASP A 940 53.814 -6.553 17.416 1.00 27.57 0.147 C +ATOM 7458 CG ASP A 940 54.689 -6.606 16.150 1.00 30.64 0.175 C +ATOM 7459 OD1 ASP A 940 54.247 -6.129 15.081 1.00 32.54 -0.648 OA +ATOM 7460 OD2 ASP A 940 55.789 -7.188 16.263 1.00 36.72 -0.648 OA +ATOM 7461 H ASP A 940 52.197 -7.239 15.644 1.00 24.23 0.163 HD +ATOM 7462 N LYS A 941 52.045 -3.892 15.923 1.00 22.77 -0.346 N +ATOM 7463 CA LYS A 941 52.014 -2.469 15.582 1.00 21.62 0.176 C +ATOM 7464 C LYS A 941 50.611 -1.851 15.753 1.00 18.96 0.241 C +ATOM 7465 O LYS A 941 50.372 -0.758 15.238 1.00 18.57 -0.271 OA +ATOM 7466 CB LYS A 941 52.511 -2.292 14.130 1.00 22.42 0.035 C +ATOM 7467 CG LYS A 941 54.034 -2.459 14.013 1.00 25.78 0.004 C +ATOM 7468 CD LYS A 941 54.570 -2.096 12.621 1.00 31.46 0.027 C +ATOM 7469 CE LYS A 941 56.099 -2.158 12.542 1.00 34.15 0.229 C +ATOM 7470 NZ LYS A 941 56.712 -0.965 13.152 1.00 39.26 -0.079 N +ATOM 7471 H LYS A 941 51.708 -4.537 15.223 1.00 22.77 0.163 HD +ATOM 7472 HZ1 LYS A 941 56.339 -0.810 14.080 1.00 39.26 0.274 HD +ATOM 7473 HZ2 LYS A 941 57.714 -1.075 13.200 1.00 39.26 0.274 HD +ATOM 7474 HZ3 LYS A 941 56.492 -0.156 12.584 1.00 39.26 0.274 HD +ATOM 7475 N TYR A 942 49.692 -2.503 16.497 1.00 16.93 -0.346 N +ATOM 7476 CA TYR A 942 48.361 -1.971 16.813 1.00 15.23 0.180 C +ATOM 7477 C TYR A 942 48.421 -0.626 17.548 1.00 15.33 0.241 C +ATOM 7478 O TYR A 942 47.783 0.324 17.101 1.00 14.82 -0.271 OA +ATOM 7479 CB TYR A 942 47.516 -2.968 17.634 1.00 15.02 0.073 C +ATOM 7480 CG TYR A 942 46.126 -2.439 17.976 1.00 15.94 -0.056 A +ATOM 7481 CD1 TYR A 942 45.157 -2.282 16.963 1.00 14.00 0.010 A +ATOM 7482 CD2 TYR A 942 45.825 -2.028 19.292 1.00 16.04 0.010 A +ATOM 7483 CE1 TYR A 942 43.895 -1.735 17.263 1.00 15.03 0.037 A +ATOM 7484 CE2 TYR A 942 44.572 -1.458 19.588 1.00 16.11 0.037 A +ATOM 7485 CZ TYR A 942 43.604 -1.313 18.574 1.00 16.96 0.065 A +ATOM 7486 OH TYR A 942 42.390 -0.761 18.861 1.00 16.69 -0.361 OA +ATOM 7487 H TYR A 942 49.936 -3.404 16.882 1.00 16.93 0.163 HD +ATOM 7488 HH TYR A 942 41.797 -0.788 18.123 1.00 16.69 0.217 HD +ATOM 7489 N PHE A 943 49.173 -0.555 18.660 1.00 16.26 -0.346 N +ATOM 7490 CA PHE A 943 49.262 0.641 19.495 1.00 17.56 0.180 C +ATOM 7491 C PHE A 943 50.143 1.748 18.888 1.00 18.86 0.241 C +ATOM 7492 O PHE A 943 49.976 2.909 19.258 1.00 18.10 -0.271 OA +ATOM 7493 CB PHE A 943 49.741 0.279 20.914 1.00 18.57 0.073 C +ATOM 7494 CG PHE A 943 48.655 -0.358 21.768 1.00 18.12 -0.056 A +ATOM 7495 CD1 PHE A 943 47.458 0.346 22.031 1.00 20.06 0.007 A +ATOM 7496 CD2 PHE A 943 48.828 -1.652 22.301 1.00 21.82 0.007 A +ATOM 7497 CE1 PHE A 943 46.435 -0.247 22.795 1.00 19.89 0.001 A +ATOM 7498 CE2 PHE A 943 47.809 -2.242 23.075 1.00 20.04 0.001 A +ATOM 7499 CZ PHE A 943 46.611 -1.543 23.315 1.00 20.48 0.000 A +ATOM 7500 H PHE A 943 49.671 -1.381 18.965 1.00 16.26 0.163 HD +ATOM 7501 N GLU A 944 51.006 1.422 17.910 1.00 20.12 -0.346 N +ATOM 7502 CA GLU A 944 51.722 2.391 17.081 1.00 22.08 0.177 C +ATOM 7503 C GLU A 944 50.739 3.117 16.146 1.00 19.63 0.241 C +ATOM 7504 O GLU A 944 50.768 4.346 16.069 1.00 19.16 -0.271 OA +ATOM 7505 CB GLU A 944 52.827 1.664 16.279 1.00 23.15 0.045 C +ATOM 7506 CG GLU A 944 53.631 2.557 15.310 1.00 25.75 0.116 C +ATOM 7507 CD GLU A 944 54.575 1.746 14.422 1.00 27.99 0.172 C +ATOM 7508 OE1 GLU A 944 55.411 1.006 14.985 1.00 32.25 -0.648 OA +ATOM 7509 OE2 GLU A 944 54.447 1.878 13.185 1.00 33.05 -0.648 OA +ATOM 7510 H GLU A 944 51.104 0.445 17.669 1.00 20.12 0.163 HD +ATOM 7511 N LEU A 945 49.844 2.369 15.476 1.00 17.87 -0.346 N +ATOM 7512 CA LEU A 945 48.806 2.937 14.620 1.00 16.70 0.177 C +ATOM 7513 C LEU A 945 47.645 3.548 15.418 1.00 15.97 0.241 C +ATOM 7514 O LEU A 945 47.014 4.462 14.904 1.00 16.03 -0.271 OA +ATOM 7515 CB LEU A 945 48.259 1.877 13.640 1.00 17.64 0.038 C +ATOM 7516 CG LEU A 945 49.258 1.425 12.547 1.00 18.56 -0.020 C +ATOM 7517 CD1 LEU A 945 48.539 0.570 11.500 1.00 20.12 0.009 C +ATOM 7518 CD2 LEU A 945 49.967 2.596 11.846 1.00 20.68 0.009 C +ATOM 7519 H LEU A 945 49.873 1.363 15.578 1.00 17.87 0.163 HD +ATOM 7520 N TYR A 946 47.396 3.126 16.670 1.00 15.00 -0.346 N +ATOM 7521 CA TYR A 946 46.419 3.713 17.597 1.00 15.50 0.180 C +ATOM 7522 C TYR A 946 46.780 5.171 17.901 1.00 16.08 0.241 C +ATOM 7523 O TYR A 946 45.920 6.044 17.800 1.00 15.61 -0.271 OA +ATOM 7524 CB TYR A 946 46.415 2.875 18.891 1.00 15.79 0.073 C +ATOM 7525 CG TYR A 946 45.483 3.275 20.019 1.00 15.67 -0.056 A +ATOM 7526 CD1 TYR A 946 44.315 2.527 20.271 1.00 15.46 0.010 A +ATOM 7527 CD2 TYR A 946 45.831 4.336 20.882 1.00 16.07 0.010 A +ATOM 7528 CE1 TYR A 946 43.520 2.828 21.392 1.00 15.97 0.037 A +ATOM 7529 CE2 TYR A 946 45.018 4.658 21.982 1.00 17.48 0.037 A +ATOM 7530 CZ TYR A 946 43.870 3.891 22.246 1.00 17.57 0.065 A +ATOM 7531 OH TYR A 946 43.109 4.165 23.340 1.00 16.67 -0.361 OA +ATOM 7532 H TYR A 946 47.936 2.341 17.011 1.00 15.00 0.163 HD +ATOM 7533 HH TYR A 946 42.367 3.585 23.425 1.00 16.67 0.217 HD +ATOM 7534 N ASP A 947 48.060 5.419 18.229 1.00 17.27 -0.345 N +ATOM 7535 CA ASP A 947 48.613 6.741 18.505 1.00 17.98 0.186 C +ATOM 7536 C ASP A 947 48.690 7.599 17.236 1.00 17.73 0.241 C +ATOM 7537 O ASP A 947 48.319 8.769 17.299 1.00 18.53 -0.271 OA +ATOM 7538 CB ASP A 947 50.022 6.618 19.135 1.00 18.99 0.147 C +ATOM 7539 CG ASP A 947 50.056 5.940 20.510 1.00 24.37 0.175 C +ATOM 7540 OD1 ASP A 947 49.024 5.981 21.217 1.00 26.44 -0.648 OA +ATOM 7541 OD2 ASP A 947 51.139 5.420 20.854 1.00 29.88 -0.648 OA +ATOM 7542 H ASP A 947 48.695 4.635 18.293 1.00 17.27 0.163 HD +ATOM 7543 N LYS A 948 49.102 7.024 16.088 1.00 16.64 -0.346 N +ATOM 7544 CA LYS A 948 49.178 7.710 14.792 1.00 17.16 0.176 C +ATOM 7545 C LYS A 948 47.805 8.231 14.345 1.00 16.22 0.241 C +ATOM 7546 O LYS A 948 47.666 9.414 14.043 1.00 16.11 -0.271 OA +ATOM 7547 CB LYS A 948 49.756 6.764 13.715 1.00 16.91 0.035 C +ATOM 7548 CG LYS A 948 49.961 7.426 12.333 1.00 18.61 0.004 C +ATOM 7549 CD LYS A 948 50.271 6.413 11.222 1.00 19.13 0.027 C +ATOM 7550 CE LYS A 948 50.351 7.050 9.827 1.00 21.99 0.229 C +ATOM 7551 NZ LYS A 948 51.518 7.935 9.691 1.00 26.44 -0.079 N +ATOM 7552 H LYS A 948 49.386 6.054 16.118 1.00 16.64 0.163 HD +ATOM 7553 HZ1 LYS A 948 51.562 8.286 8.741 1.00 26.44 0.274 HD +ATOM 7554 HZ2 LYS A 948 51.415 8.725 10.316 1.00 26.44 0.274 HD +ATOM 7555 HZ3 LYS A 948 52.364 7.430 9.909 1.00 26.44 0.274 HD +ATOM 7556 N THR A 949 46.798 7.347 14.314 1.00 15.97 -0.344 N +ATOM 7557 CA THR A 949 45.440 7.665 13.885 1.00 14.47 0.205 C +ATOM 7558 C THR A 949 44.683 8.523 14.913 1.00 15.11 0.243 C +ATOM 7559 O THR A 949 43.794 9.259 14.497 1.00 15.63 -0.271 OA +ATOM 7560 CB THR A 949 44.671 6.366 13.557 1.00 14.36 0.146 C +ATOM 7561 CG2 THR A 949 45.304 5.561 12.410 1.00 15.62 0.042 C +ATOM 7562 OG1 THR A 949 44.522 5.548 14.694 1.00 14.43 -0.393 OA +ATOM 7563 H THR A 949 46.987 6.390 14.584 1.00 15.97 0.163 HD +ATOM 7564 HG1 THR A 949 45.367 5.172 14.904 1.00 14.43 0.210 HD +ATOM 7565 N TYR A 950 45.062 8.510 16.208 1.00 15.30 -0.346 N +ATOM 7566 CA TYR A 950 44.544 9.444 17.213 1.00 15.67 0.180 C +ATOM 7567 C TYR A 950 45.054 10.869 16.945 1.00 15.69 0.241 C +ATOM 7568 O TYR A 950 44.257 11.801 17.012 1.00 15.64 -0.271 OA +ATOM 7569 CB TYR A 950 44.953 9.021 18.640 1.00 16.78 0.073 C +ATOM 7570 CG TYR A 950 44.494 9.995 19.717 1.00 18.39 -0.056 A +ATOM 7571 CD1 TYR A 950 43.129 10.087 20.065 1.00 18.82 0.010 A +ATOM 7572 CD2 TYR A 950 45.427 10.867 20.317 1.00 17.42 0.010 A +ATOM 7573 CE1 TYR A 950 42.703 11.049 21.002 1.00 17.11 0.037 A +ATOM 7574 CE2 TYR A 950 44.999 11.831 21.248 1.00 18.70 0.037 A +ATOM 7575 CZ TYR A 950 43.637 11.924 21.590 1.00 19.84 0.065 A +ATOM 7576 OH TYR A 950 43.225 12.859 22.492 1.00 20.12 -0.361 OA +ATOM 7577 H TYR A 950 45.788 7.869 16.497 1.00 15.30 0.163 HD +ATOM 7578 HH TYR A 950 43.937 13.374 22.840 1.00 20.12 0.217 HD +ATOM 7579 N LYS A 951 46.347 11.040 16.604 1.00 15.92 -0.346 N +ATOM 7580 CA LYS A 951 46.944 12.322 16.210 1.00 17.47 0.176 C +ATOM 7581 C LYS A 951 46.268 12.933 14.969 1.00 16.14 0.241 C +ATOM 7582 O LYS A 951 46.070 14.147 14.925 1.00 16.85 -0.271 OA +ATOM 7583 CB LYS A 951 48.464 12.171 15.952 1.00 18.91 0.035 C +ATOM 7584 CG LYS A 951 49.387 12.598 17.107 1.00 26.47 0.004 C +ATOM 7585 CD LYS A 951 49.731 11.448 18.061 1.00 31.63 0.027 C +ATOM 7586 CE LYS A 951 50.902 11.750 19.006 1.00 34.88 0.229 C +ATOM 7587 NZ LYS A 951 50.537 12.730 20.039 1.00 39.26 -0.079 N +ATOM 7588 H LYS A 951 46.946 10.225 16.582 1.00 15.92 0.163 HD +ATOM 7589 HZ1 LYS A 951 49.766 12.363 20.579 1.00 39.26 0.274 HD +ATOM 7590 HZ2 LYS A 951 51.326 12.892 20.647 1.00 39.26 0.274 HD +ATOM 7591 HZ3 LYS A 951 50.262 13.599 19.603 1.00 39.26 0.274 HD +ATOM 7592 N LEU A 952 45.886 12.085 13.996 1.00 15.66 -0.346 N +ATOM 7593 CA LEU A 952 45.168 12.470 12.781 1.00 15.68 0.177 C +ATOM 7594 C LEU A 952 43.678 12.762 13.038 1.00 15.57 0.241 C +ATOM 7595 O LEU A 952 43.058 13.409 12.196 1.00 16.40 -0.271 OA +ATOM 7596 CB LEU A 952 45.239 11.313 11.752 1.00 15.27 0.038 C +ATOM 7597 CG LEU A 952 46.634 11.016 11.161 1.00 16.15 -0.020 C +ATOM 7598 CD1 LEU A 952 46.614 9.719 10.334 1.00 16.37 0.009 C +ATOM 7599 CD2 LEU A 952 47.160 12.178 10.305 1.00 19.82 0.009 C +ATOM 7600 H LEU A 952 46.097 11.104 14.115 1.00 15.66 0.163 HD +ATOM 7601 N SER A 953 43.103 12.298 14.161 1.00 14.77 -0.344 N +ATOM 7602 CA SER A 953 41.668 12.365 14.436 1.00 14.27 0.200 C +ATOM 7603 C SER A 953 41.265 13.433 15.460 1.00 14.32 0.243 C +ATOM 7604 O SER A 953 40.161 13.960 15.354 1.00 14.86 -0.271 OA +ATOM 7605 CB SER A 953 41.210 11.008 14.993 1.00 13.73 0.199 C +ATOM 7606 OG SER A 953 41.166 10.052 13.962 1.00 14.43 -0.398 OA +ATOM 7607 H SER A 953 43.676 11.784 14.816 1.00 14.77 0.163 HD +ATOM 7608 HG SER A 953 42.059 9.831 13.736 1.00 14.43 0.209 HD +ATOM 7609 N LYS A 954 42.117 13.717 16.460 1.00 15.08 -0.346 N +ATOM 7610 CA LYS A 954 41.788 14.455 17.686 1.00 16.14 0.176 C +ATOM 7611 C LYS A 954 41.289 15.902 17.502 1.00 17.11 0.241 C +ATOM 7612 O LYS A 954 40.566 16.393 18.368 1.00 17.54 -0.271 OA +ATOM 7613 CB LYS A 954 43.006 14.422 18.640 1.00 17.58 0.035 C +ATOM 7614 CG LYS A 954 44.188 15.297 18.184 1.00 18.49 0.004 C +ATOM 7615 CD LYS A 954 45.475 15.079 18.988 1.00 22.46 0.027 C +ATOM 7616 CE LYS A 954 46.546 16.146 18.695 1.00 28.25 0.229 C +ATOM 7617 NZ LYS A 954 46.849 16.264 17.256 1.00 31.34 -0.079 N +ATOM 7618 H LYS A 954 43.008 13.237 16.459 1.00 15.08 0.163 HD +ATOM 7619 HZ1 LYS A 954 46.055 16.688 16.784 1.00 31.34 0.274 HD +ATOM 7620 HZ2 LYS A 954 47.651 16.864 17.124 1.00 31.34 0.274 HD +ATOM 7621 HZ3 LYS A 954 47.029 15.357 16.852 1.00 31.34 0.274 HD +ATOM 7622 N ASP A 955 41.678 16.578 16.408 1.00 17.58 -0.346 N +ATOM 7623 CA ASP A 955 41.395 17.996 16.148 1.00 18.65 0.186 C +ATOM 7624 C ASP A 955 40.177 18.206 15.230 1.00 17.44 0.241 C +ATOM 7625 O ASP A 955 39.883 19.347 14.875 1.00 17.88 -0.271 OA +ATOM 7626 CB ASP A 955 42.642 18.690 15.540 1.00 20.90 0.147 C +ATOM 7627 CG ASP A 955 43.885 18.569 16.426 1.00 25.29 0.175 C +ATOM 7628 OD1 ASP A 955 43.804 19.036 17.584 1.00 29.61 -0.648 OA +ATOM 7629 OD2 ASP A 955 44.887 17.995 15.945 1.00 30.88 -0.648 OA +ATOM 7630 H ASP A 955 42.240 16.093 15.722 1.00 17.58 0.163 HD +ATOM 7631 N ASP A 956 39.434 17.137 14.908 1.00 15.41 -0.345 N +ATOM 7632 CA ASP A 956 38.118 17.172 14.283 1.00 14.35 0.186 C +ATOM 7633 C ASP A 956 37.197 16.288 15.127 1.00 12.71 0.241 C +ATOM 7634 O ASP A 956 37.489 15.112 15.338 1.00 11.44 -0.271 OA +ATOM 7635 CB ASP A 956 38.215 16.828 12.776 1.00 14.70 0.147 C +ATOM 7636 CG ASP A 956 36.873 16.773 12.031 1.00 15.30 0.175 C +ATOM 7637 OD1 ASP A 956 36.020 15.931 12.383 1.00 16.35 -0.648 OA +ATOM 7638 OD2 ASP A 956 36.720 17.573 11.084 1.00 15.75 -0.648 OA +ATOM 7639 H ASP A 956 39.745 16.232 15.236 1.00 15.41 0.163 HD +ATOM 7640 N GLU A 957 36.096 16.873 15.619 1.00 11.51 -0.346 N +ATOM 7641 CA GLU A 957 35.112 16.267 16.512 1.00 12.05 0.177 C +ATOM 7642 C GLU A 957 34.514 14.959 15.975 1.00 11.54 0.241 C +ATOM 7643 O GLU A 957 34.454 13.959 16.690 1.00 12.70 -0.271 OA +ATOM 7644 CB GLU A 957 34.033 17.326 16.819 1.00 13.81 0.045 C +ATOM 7645 CG GLU A 957 32.757 16.811 17.509 1.00 15.58 0.116 C +ATOM 7646 CD GLU A 957 31.744 17.932 17.664 1.00 16.83 0.172 C +ATOM 7647 OE1 GLU A 957 30.720 17.878 16.949 1.00 19.20 -0.648 OA +ATOM 7648 OE2 GLU A 957 32.004 18.825 18.501 1.00 19.83 -0.648 OA +ATOM 7649 H GLU A 957 35.950 17.846 15.386 1.00 11.51 0.163 HD +ATOM 7650 N LEU A 958 34.082 14.978 14.710 1.00 10.82 -0.346 N +ATOM 7651 CA LEU A 958 33.418 13.863 14.053 1.00 10.45 0.177 C +ATOM 7652 C LEU A 958 34.411 12.772 13.636 1.00 10.67 0.241 C +ATOM 7653 O LEU A 958 34.073 11.594 13.710 1.00 11.15 -0.271 OA +ATOM 7654 CB LEU A 958 32.717 14.403 12.799 1.00 10.64 0.038 C +ATOM 7655 CG LEU A 958 31.598 15.422 13.074 1.00 10.74 -0.020 C +ATOM 7656 CD1 LEU A 958 30.988 15.893 11.751 1.00 10.01 0.009 C +ATOM 7657 CD2 LEU A 958 30.521 14.882 14.024 1.00 11.62 0.009 C +ATOM 7658 H LEU A 958 34.211 15.823 14.171 1.00 10.82 0.163 HD +ATOM 7659 N LEU A 959 35.643 13.143 13.257 1.00 11.26 -0.346 N +ATOM 7660 CA LEU A 959 36.714 12.211 12.914 1.00 11.25 0.177 C +ATOM 7661 C LEU A 959 37.259 11.489 14.160 1.00 11.79 0.241 C +ATOM 7662 O LEU A 959 37.636 10.323 14.057 1.00 12.11 -0.271 OA +ATOM 7663 CB LEU A 959 37.834 13.016 12.236 1.00 12.03 0.038 C +ATOM 7664 CG LEU A 959 38.986 12.196 11.624 1.00 12.65 -0.020 C +ATOM 7665 CD1 LEU A 959 38.521 11.212 10.538 1.00 12.25 0.009 C +ATOM 7666 CD2 LEU A 959 40.040 13.166 11.080 1.00 12.88 0.009 C +ATOM 7667 H LEU A 959 35.851 14.134 13.200 1.00 11.26 0.163 HD +ATOM 7668 N LEU A 960 37.246 12.147 15.336 1.00 12.31 -0.346 N +ATOM 7669 CA LEU A 960 37.560 11.543 16.632 1.00 11.75 0.177 C +ATOM 7670 C LEU A 960 36.473 10.551 17.071 1.00 11.19 0.241 C +ATOM 7671 O LEU A 960 36.807 9.530 17.663 1.00 11.20 -0.271 OA +ATOM 7672 CB LEU A 960 37.773 12.649 17.690 1.00 11.89 0.038 C +ATOM 7673 CG LEU A 960 38.178 12.160 19.103 1.00 13.38 -0.020 C +ATOM 7674 CD1 LEU A 960 39.442 11.281 19.106 1.00 15.41 0.009 C +ATOM 7675 CD2 LEU A 960 38.355 13.351 20.055 1.00 14.28 0.009 C +ATOM 7676 H LEU A 960 36.964 13.118 15.334 1.00 12.31 0.163 HD +ATOM 7677 N GLN A 961 35.198 10.797 16.729 1.00 9.91 -0.346 N +ATOM 7678 CA GLN A 961 34.095 9.867 16.974 1.00 9.46 0.177 C +ATOM 7679 C GLN A 961 34.146 8.648 16.036 1.00 9.79 0.241 C +ATOM 7680 O GLN A 961 33.756 7.565 16.464 1.00 10.06 -0.271 OA +ATOM 7681 CB GLN A 961 32.760 10.611 16.808 1.00 9.99 0.044 C +ATOM 7682 CG GLN A 961 32.474 11.538 18.005 1.00 8.75 0.105 C +ATOM 7683 CD GLN A 961 31.485 12.664 17.704 1.00 10.84 0.215 C +ATOM 7684 NE2 GLN A 961 31.302 13.565 18.668 1.00 12.49 -0.370 N +ATOM 7685 OE1 GLN A 961 30.882 12.726 16.635 1.00 10.94 -0.274 OA +ATOM 7686 H GLN A 961 34.988 11.655 16.238 1.00 9.91 0.163 HD +ATOM 7687 1HE2 GLN A 961 31.771 13.446 19.560 1.00 12.49 0.159 HD +ATOM 7688 2HE2 GLN A 961 30.661 14.334 18.516 1.00 12.49 0.159 HD +ATOM 7689 N GLU A 962 34.688 8.779 14.810 1.00 9.76 -0.346 N +ATOM 7690 CA GLU A 962 34.934 7.642 13.918 1.00 10.32 0.177 C +ATOM 7691 C GLU A 962 36.178 6.846 14.341 1.00 9.66 0.241 C +ATOM 7692 O GLU A 962 36.200 5.633 14.140 1.00 9.79 -0.271 OA +ATOM 7693 CB GLU A 962 35.153 8.122 12.466 1.00 11.05 0.045 C +ATOM 7694 CG GLU A 962 33.912 8.704 11.764 1.00 14.67 0.116 C +ATOM 7695 CD GLU A 962 32.661 7.820 11.796 1.00 18.42 0.172 C +ATOM 7696 OE1 GLU A 962 32.815 6.583 11.744 1.00 16.99 -0.648 OA +ATOM 7697 OE2 GLU A 962 31.551 8.389 11.863 1.00 20.78 -0.648 OA +ATOM 7698 H GLU A 962 34.985 9.695 14.503 1.00 9.76 0.163 HD +ATOM 7699 N TRP A 963 37.178 7.488 14.967 1.00 9.63 -0.346 N +ATOM 7700 CA TRP A 963 38.328 6.816 15.568 1.00 9.64 0.181 C +ATOM 7701 C TRP A 963 37.916 6.022 16.817 1.00 10.02 0.241 C +ATOM 7702 O TRP A 963 38.387 4.901 16.991 1.00 10.36 -0.271 OA +ATOM 7703 CB TRP A 963 39.402 7.854 15.932 1.00 10.32 0.075 C +ATOM 7704 CG TRP A 963 40.628 7.301 16.598 1.00 11.90 -0.028 A +ATOM 7705 CD1 TRP A 963 41.704 6.790 15.963 1.00 12.13 0.096 A +ATOM 7706 CD2 TRP A 963 40.894 7.152 18.026 1.00 11.19 -0.002 A +ATOM 7707 CE2 TRP A 963 42.157 6.507 18.184 1.00 12.99 0.042 A +ATOM 7708 CE3 TRP A 963 40.189 7.479 19.208 1.00 12.30 0.014 A +ATOM 7709 NE1 TRP A 963 42.606 6.321 16.896 1.00 13.01 -0.365 N +ATOM 7710 CZ2 TRP A 963 42.689 6.197 19.448 1.00 11.43 0.030 A +ATOM 7711 CZ3 TRP A 963 40.715 7.178 20.481 1.00 11.14 0.001 A +ATOM 7712 CH2 TRP A 963 41.964 6.540 20.602 1.00 11.28 0.002 A +ATOM 7713 H TRP A 963 37.114 8.492 15.074 1.00 9.63 0.163 HD +ATOM 7714 HE1 TRP A 963 43.484 5.898 16.626 1.00 13.01 0.165 HD +ATOM 7715 N LEU A 964 37.008 6.566 17.647 1.00 9.43 -0.346 N +ATOM 7716 CA LEU A 964 36.430 5.879 18.801 1.00 9.87 0.177 C +ATOM 7717 C LEU A 964 35.618 4.642 18.393 1.00 9.35 0.241 C +ATOM 7718 O LEU A 964 35.685 3.639 19.098 1.00 10.95 -0.271 OA +ATOM 7719 CB LEU A 964 35.535 6.844 19.608 1.00 9.27 0.038 C +ATOM 7720 CG LEU A 964 36.291 7.871 20.472 1.00 10.03 -0.020 C +ATOM 7721 CD1 LEU A 964 35.314 8.904 21.049 1.00 10.84 0.009 C +ATOM 7722 CD2 LEU A 964 37.099 7.201 21.590 1.00 10.57 0.009 C +ATOM 7723 H LEU A 964 36.684 7.505 17.456 1.00 9.43 0.163 HD +ATOM 7724 N LYS A 965 34.925 4.684 17.239 1.00 9.14 -0.346 N +ATOM 7725 CA LYS A 965 34.213 3.539 16.669 1.00 9.78 0.176 C +ATOM 7726 C LYS A 965 35.156 2.452 16.138 1.00 9.79 0.241 C +ATOM 7727 O LYS A 965 34.839 1.267 16.246 1.00 9.53 -0.271 OA +ATOM 7728 CB LYS A 965 33.319 3.976 15.494 1.00 10.31 0.035 C +ATOM 7729 CG LYS A 965 32.022 4.695 15.877 1.00 15.27 0.004 C +ATOM 7730 CD LYS A 965 31.222 5.051 14.618 1.00 20.33 0.027 C +ATOM 7731 CE LYS A 965 30.134 6.099 14.853 1.00 26.22 0.229 C +ATOM 7732 NZ LYS A 965 29.456 6.436 13.591 1.00 29.89 -0.079 N +ATOM 7733 H LYS A 965 34.908 5.550 16.719 1.00 9.14 0.163 HD +ATOM 7734 HZ1 LYS A 965 29.090 5.597 13.163 1.00 29.89 0.274 HD +ATOM 7735 HZ2 LYS A 965 28.697 7.080 13.766 1.00 29.89 0.274 HD +ATOM 7736 HZ3 LYS A 965 30.123 6.869 12.963 1.00 29.89 0.274 HD +ATOM 7737 N THR A 966 36.309 2.855 15.579 1.00 10.15 -0.344 N +ATOM 7738 CA THR A 966 37.313 1.961 15.008 1.00 10.12 0.205 C +ATOM 7739 C THR A 966 38.030 1.190 16.128 1.00 10.68 0.243 C +ATOM 7740 O THR A 966 38.214 -0.018 15.999 1.00 11.25 -0.271 OA +ATOM 7741 CB THR A 966 38.339 2.791 14.200 1.00 11.19 0.146 C +ATOM 7742 CG2 THR A 966 39.432 1.943 13.541 1.00 11.96 0.042 C +ATOM 7743 OG1 THR A 966 37.686 3.461 13.143 1.00 11.29 -0.393 OA +ATOM 7744 H THR A 966 36.496 3.848 15.546 1.00 10.15 0.163 HD +ATOM 7745 HG1 THR A 966 37.131 4.136 13.512 1.00 11.29 0.210 HD +ATOM 7746 N VAL A 967 38.389 1.868 17.232 1.00 9.70 -0.346 N +ATOM 7747 CA VAL A 967 39.000 1.271 18.420 1.00 8.93 0.180 C +ATOM 7748 C VAL A 967 38.001 0.363 19.161 1.00 9.72 0.241 C +ATOM 7749 O VAL A 967 38.385 -0.719 19.602 1.00 9.73 -0.271 OA +ATOM 7750 CB VAL A 967 39.513 2.391 19.362 1.00 9.22 0.009 C +ATOM 7751 CG1 VAL A 967 40.021 1.836 20.700 1.00 9.88 0.012 C +ATOM 7752 CG2 VAL A 967 40.647 3.213 18.735 1.00 9.94 0.012 C +ATOM 7753 H VAL A 967 38.212 2.864 17.259 1.00 9.70 0.163 HD +ATOM 7754 N SER A 968 36.732 0.791 19.278 1.00 10.06 -0.344 N +ATOM 7755 CA SER A 968 35.640 0.051 19.912 1.00 9.72 0.200 C +ATOM 7756 C SER A 968 35.369 -1.296 19.219 1.00 9.28 0.243 C +ATOM 7757 O SER A 968 35.141 -2.283 19.912 1.00 11.23 -0.271 OA +ATOM 7758 CB SER A 968 34.379 0.941 19.927 1.00 10.24 0.199 C +ATOM 7759 OG SER A 968 33.252 0.298 20.481 1.00 13.85 -0.398 OA +ATOM 7760 H SER A 968 36.503 1.703 18.905 1.00 10.06 0.163 HD +ATOM 7761 HG SER A 968 33.364 0.261 21.421 1.00 13.85 0.209 HD +ATOM 7762 N ARG A 969 35.438 -1.344 17.877 1.00 9.44 -0.346 N +ATOM 7763 CA ARG A 969 35.175 -2.538 17.072 0.50 9.04 0.176 C +ATOM 7764 C ARG A 969 36.466 -3.313 16.719 1.00 11.27 0.241 C +ATOM 7765 O ARG A 969 36.377 -4.338 16.044 1.00 12.03 -0.271 OA +ATOM 7766 CB ARG A 969 34.453 -2.087 15.781 1.00 0.00 0.036 C +ATOM 7767 CG ARG A 969 33.748 -3.221 15.012 1.00 0.00 0.023 C +ATOM 7768 CD ARG A 969 32.777 -2.725 13.933 1.00 0.00 0.138 C +ATOM 7769 NE ARG A 969 32.116 -3.858 13.272 1.00 0.00 -0.227 N +ATOM 7770 CZ ARG A 969 32.628 -4.603 12.276 1.00 0.00 0.665 C +ATOM 7771 NH1 ARG A 969 33.842 -4.354 11.762 1.00 0.00 -0.235 N +ATOM 7772 NH2 ARG A 969 31.910 -5.625 11.793 1.00 0.00 -0.235 N +ATOM 7773 H ARG A 969 35.636 -0.486 17.381 1.00 9.44 0.163 HD +ATOM 7774 HE ARG A 969 31.210 -4.109 13.640 1.00 0.00 0.177 HD +ATOM 7775 HH11 ARG A 969 34.386 -3.580 12.116 1.00 0.00 0.174 HD +ATOM 7776 HH12 ARG A 969 34.215 -4.921 11.015 1.00 0.00 0.174 HD +ATOM 7777 HH21 ARG A 969 31.004 -5.845 12.180 1.00 0.00 0.174 HD +ATOM 7778 HH22 ARG A 969 32.274 -6.198 11.045 1.00 0.00 0.174 HD +ATOM 7779 N SER A 970 37.658 -2.882 17.182 1.00 11.47 -0.344 N +ATOM 7780 CA SER A 970 38.933 -3.576 16.946 1.00 12.25 0.200 C +ATOM 7781 C SER A 970 38.935 -4.939 17.656 1.00 12.82 0.243 C +ATOM 7782 O SER A 970 38.644 -5.012 18.851 1.00 12.72 -0.271 OA +ATOM 7783 CB SER A 970 40.112 -2.736 17.477 1.00 13.16 0.199 C +ATOM 7784 OG SER A 970 40.405 -1.658 16.616 1.00 17.25 -0.398 OA +ATOM 7785 H SER A 970 37.679 -2.056 17.764 1.00 11.47 0.163 HD +ATOM 7786 HG SER A 970 39.633 -1.112 16.539 1.00 17.25 0.209 HD +ATOM 7787 N ASP A 971 39.242 -6.010 16.906 1.00 13.17 -0.345 N +ATOM 7788 CA ASP A 971 39.242 -7.401 17.360 1.00 14.78 0.186 C +ATOM 7789 C ASP A 971 40.541 -7.679 18.140 1.00 15.19 0.241 C +ATOM 7790 O ASP A 971 41.500 -8.255 17.627 1.00 14.77 -0.271 OA +ATOM 7791 CB ASP A 971 39.101 -8.314 16.117 1.00 14.83 0.147 C +ATOM 7792 CG ASP A 971 38.825 -9.798 16.398 1.00 19.15 0.175 C +ATOM 7793 OD1 ASP A 971 38.408 -10.122 17.529 1.00 18.45 -0.648 OA +ATOM 7794 OD2 ASP A 971 38.997 -10.594 15.450 1.00 20.84 -0.648 OA +ATOM 7795 H ASP A 971 39.462 -5.856 15.930 1.00 13.17 0.163 HD +ATOM 7796 N ARG A 972 40.551 -7.195 19.387 1.00 15.38 -0.346 N +ATOM 7797 CA ARG A 972 41.648 -7.232 20.338 1.00 15.99 0.176 C +ATOM 7798 C ARG A 972 41.257 -8.117 21.523 1.00 16.34 0.241 C +ATOM 7799 O ARG A 972 40.133 -8.034 22.017 1.00 15.98 -0.271 OA +ATOM 7800 CB ARG A 972 41.879 -5.789 20.833 1.00 16.51 0.036 C +ATOM 7801 CG ARG A 972 42.537 -4.861 19.797 1.00 15.58 0.023 C +ATOM 7802 CD ARG A 972 43.975 -5.245 19.425 1.00 16.07 0.138 C +ATOM 7803 NE ARG A 972 44.891 -5.179 20.570 1.00 16.66 -0.227 N +ATOM 7804 CZ ARG A 972 46.213 -5.402 20.526 1.00 19.16 0.665 C +ATOM 7805 NH1 ARG A 972 46.823 -5.736 19.382 1.00 16.63 -0.235 N +ATOM 7806 NH2 ARG A 972 46.933 -5.304 21.649 1.00 17.39 -0.235 N +ATOM 7807 H ARG A 972 39.719 -6.708 19.692 1.00 15.38 0.163 HD +ATOM 7808 HE ARG A 972 44.471 -5.047 21.487 1.00 16.66 0.177 HD +ATOM 7809 HH11 ARG A 972 46.293 -5.855 18.530 1.00 16.63 0.174 HD +ATOM 7810 HH12 ARG A 972 47.829 -5.879 19.369 1.00 16.63 0.174 HD +ATOM 7811 HH21 ARG A 972 46.477 -5.081 22.529 1.00 17.39 0.174 HD +ATOM 7812 HH22 ARG A 972 47.931 -5.464 21.632 1.00 17.39 0.174 HD +ATOM 7813 N LYS A 973 42.202 -8.937 22.012 1.00 17.75 -0.346 N +ATOM 7814 CA LYS A 973 42.024 -9.755 23.215 1.00 19.35 0.176 C +ATOM 7815 C LYS A 973 42.027 -8.907 24.500 1.00 18.82 0.241 C +ATOM 7816 O LYS A 973 41.433 -9.321 25.494 1.00 19.28 -0.271 OA +ATOM 7817 CB LYS A 973 43.154 -10.803 23.303 1.00 21.26 0.035 C +ATOM 7818 CG LYS A 973 42.983 -11.977 22.317 1.00 26.25 0.004 C +ATOM 7819 CD LYS A 973 43.971 -11.971 21.143 1.00 32.58 0.027 C +ATOM 7820 CE LYS A 973 45.398 -12.372 21.542 1.00 36.25 0.229 C +ATOM 7821 NZ LYS A 973 46.288 -12.384 20.370 1.00 39.28 -0.079 N +ATOM 7822 H LYS A 973 43.110 -8.950 21.566 1.00 17.75 0.163 HD +ATOM 7823 HZ1 LYS A 973 46.316 -11.459 19.963 1.00 39.28 0.274 HD +ATOM 7824 HZ2 LYS A 973 47.219 -12.655 20.652 1.00 39.28 0.274 HD +ATOM 7825 HZ3 LYS A 973 45.938 -13.038 19.685 1.00 39.28 0.274 HD +ATOM 7826 N ASP A 974 42.646 -7.716 24.455 1.00 18.14 -0.346 N +ATOM 7827 CA ASP A 974 42.716 -6.715 25.518 1.00 18.11 0.186 C +ATOM 7828 C ASP A 974 41.704 -5.571 25.260 1.00 16.62 0.241 C +ATOM 7829 O ASP A 974 41.940 -4.448 25.704 1.00 17.10 -0.271 OA +ATOM 7830 CB ASP A 974 44.178 -6.183 25.631 1.00 18.61 0.147 C +ATOM 7831 CG ASP A 974 44.801 -5.506 24.397 1.00 19.05 0.175 C +ATOM 7832 OD1 ASP A 974 44.302 -5.726 23.275 1.00 18.80 -0.648 OA +ATOM 7833 OD2 ASP A 974 45.811 -4.793 24.580 1.00 23.58 -0.648 OA +ATOM 7834 H ASP A 974 43.096 -7.453 23.588 1.00 18.14 0.163 HD +ATOM 7835 N ILE A 975 40.580 -5.834 24.559 1.00 15.49 -0.346 N +ATOM 7836 CA ILE A 975 39.543 -4.846 24.222 1.00 14.94 0.180 C +ATOM 7837 C ILE A 975 38.881 -4.176 25.443 1.00 15.03 0.241 C +ATOM 7838 O ILE A 975 38.566 -2.993 25.362 1.00 13.45 -0.271 OA +ATOM 7839 CB ILE A 975 38.482 -5.442 23.253 1.00 15.02 0.013 C +ATOM 7840 CG1 ILE A 975 37.484 -4.402 22.684 1.00 15.05 0.002 C +ATOM 7841 CG2 ILE A 975 37.702 -6.625 23.857 1.00 14.93 0.012 C +ATOM 7842 CD1 ILE A 975 38.134 -3.233 21.928 1.00 18.06 0.005 C +ATOM 7843 H ILE A 975 40.443 -6.775 24.218 1.00 15.49 0.163 HD +ATOM 7844 N TYR A 976 38.701 -4.883 26.572 1.00 14.85 -0.346 N +ATOM 7845 CA TYR A 976 38.128 -4.318 27.800 1.00 15.47 0.180 C +ATOM 7846 C TYR A 976 39.091 -3.334 28.485 1.00 16.09 0.241 C +ATOM 7847 O TYR A 976 38.647 -2.335 29.045 1.00 15.17 -0.271 OA +ATOM 7848 CB TYR A 976 37.774 -5.453 28.779 1.00 16.30 0.073 C +ATOM 7849 CG TYR A 976 36.505 -6.199 28.414 1.00 16.60 -0.056 A +ATOM 7850 CD1 TYR A 976 35.284 -5.816 29.002 1.00 18.18 0.010 A +ATOM 7851 CD2 TYR A 976 36.531 -7.265 27.489 1.00 17.62 0.010 A +ATOM 7852 CE1 TYR A 976 34.103 -6.514 28.700 1.00 18.08 0.037 A +ATOM 7853 CE2 TYR A 976 35.347 -7.959 27.180 1.00 16.77 0.037 A +ATOM 7854 CZ TYR A 976 34.140 -7.601 27.807 1.00 18.28 0.065 A +ATOM 7855 OH TYR A 976 33.004 -8.306 27.555 1.00 16.39 -0.361 OA +ATOM 7856 H TYR A 976 39.000 -5.849 26.595 1.00 14.85 0.163 HD +ATOM 7857 HH TYR A 976 33.122 -8.984 26.902 1.00 16.39 0.217 HD +ATOM 7858 N GLU A 977 40.406 -3.574 28.383 1.00 16.27 -0.346 N +ATOM 7859 CA GLU A 977 41.458 -2.697 28.891 1.00 17.96 0.177 C +ATOM 7860 C GLU A 977 41.626 -1.475 27.963 1.00 16.76 0.241 C +ATOM 7861 O GLU A 977 41.936 -0.389 28.447 1.00 16.44 -0.271 OA +ATOM 7862 CB GLU A 977 42.790 -3.485 28.965 1.00 19.56 0.045 C +ATOM 7863 CG GLU A 977 42.861 -4.545 30.094 1.00 24.84 0.116 C +ATOM 7864 CD GLU A 977 41.942 -5.760 29.912 1.00 31.91 0.172 C +ATOM 7865 OE1 GLU A 977 41.859 -6.256 28.767 1.00 29.90 -0.648 OA +ATOM 7866 OE2 GLU A 977 41.314 -6.166 30.915 1.00 35.23 -0.648 OA +ATOM 7867 H GLU A 977 40.705 -4.420 27.915 1.00 16.27 0.163 HD +ATOM 7868 N ILE A 978 41.359 -1.626 26.653 1.00 15.19 -0.346 N +ATOM 7869 CA ILE A 978 41.316 -0.545 25.664 1.00 15.43 0.180 C +ATOM 7870 C ILE A 978 40.053 0.327 25.840 1.00 14.43 0.241 C +ATOM 7871 O ILE A 978 40.138 1.536 25.638 1.00 14.77 -0.271 OA +ATOM 7872 CB ILE A 978 41.405 -1.161 24.236 1.00 14.81 0.013 C +ATOM 7873 CG1 ILE A 978 42.827 -1.708 23.970 1.00 16.23 0.002 C +ATOM 7874 CG2 ILE A 978 40.992 -0.194 23.106 1.00 14.14 0.012 C +ATOM 7875 CD1 ILE A 978 42.925 -2.661 22.771 1.00 15.83 0.005 C +ATOM 7876 H ILE A 978 41.135 -2.556 26.326 1.00 15.19 0.163 HD +ATOM 7877 N LEU A 979 38.905 -0.247 26.240 1.00 15.04 -0.346 N +ATOM 7878 CA LEU A 979 37.676 0.499 26.533 1.00 14.86 0.177 C +ATOM 7879 C LEU A 979 37.797 1.291 27.843 1.00 16.16 0.241 C +ATOM 7880 O LEU A 979 37.281 2.402 27.913 1.00 16.29 -0.271 OA +ATOM 7881 CB LEU A 979 36.473 -0.461 26.630 1.00 14.78 0.038 C +ATOM 7882 CG LEU A 979 35.993 -1.001 25.268 1.00 14.17 -0.020 C +ATOM 7883 CD1 LEU A 979 35.074 -2.209 25.467 1.00 15.12 0.009 C +ATOM 7884 CD2 LEU A 979 35.292 0.066 24.412 1.00 14.61 0.009 C +ATOM 7885 H LEU A 979 38.878 -1.253 26.350 1.00 15.04 0.163 HD +ATOM 7886 N LYS A 980 38.542 0.769 28.835 1.00 17.15 -0.346 N +ATOM 7887 CA LYS A 980 38.897 1.462 30.075 1.00 18.49 0.176 C +ATOM 7888 C LYS A 980 39.844 2.647 29.799 1.00 18.90 0.241 C +ATOM 7889 O LYS A 980 39.699 3.697 30.420 1.00 19.77 -0.271 OA +ATOM 7890 CB LYS A 980 39.565 0.445 31.029 1.00 20.20 0.035 C +ATOM 7891 CG LYS A 980 39.776 0.927 32.479 1.00 24.98 0.004 C +ATOM 7892 CD LYS A 980 38.463 1.014 33.275 1.00 32.86 0.027 C +ATOM 7893 CE LYS A 980 38.649 1.284 34.775 1.00 36.30 0.229 C +ATOM 7894 NZ LYS A 980 39.140 2.646 35.033 1.00 37.59 -0.079 N +ATOM 7895 H LYS A 980 38.913 -0.163 28.707 1.00 17.15 0.163 HD +ATOM 7896 HZ1 LYS A 980 38.516 3.309 34.589 1.00 37.59 0.274 HD +ATOM 7897 HZ2 LYS A 980 39.160 2.817 36.028 1.00 37.59 0.274 HD +ATOM 7898 HZ3 LYS A 980 40.070 2.740 34.655 1.00 37.59 0.274 HD +ATOM 7899 N LYS A 981 40.769 2.500 28.833 1.00 18.97 -0.346 N +ATOM 7900 CA LYS A 981 41.673 3.548 28.358 1.00 20.70 0.176 C +ATOM 7901 C LYS A 981 40.908 4.656 27.608 1.00 19.84 0.241 C +ATOM 7902 O LYS A 981 41.195 5.830 27.822 1.00 20.35 -0.271 OA +ATOM 7903 CB LYS A 981 42.737 2.889 27.451 1.00 20.28 0.035 C +ATOM 7904 CG LYS A 981 43.862 3.824 26.983 1.00 22.74 0.004 C +ATOM 7905 CD LYS A 981 44.896 3.097 26.109 1.00 23.82 0.027 C +ATOM 7906 CE LYS A 981 45.943 4.028 25.481 1.00 27.25 0.229 C +ATOM 7907 NZ LYS A 981 46.821 4.644 26.489 1.00 31.24 -0.079 N +ATOM 7908 H LYS A 981 40.824 1.603 28.370 1.00 18.97 0.163 HD +ATOM 7909 HZ1 LYS A 981 47.202 3.928 27.095 1.00 31.24 0.274 HD +ATOM 7910 HZ2 LYS A 981 47.571 5.136 26.026 1.00 31.24 0.274 HD +ATOM 7911 HZ3 LYS A 981 46.289 5.304 27.048 1.00 31.24 0.274 HD +ATOM 7912 N LEU A 982 39.905 4.293 26.789 1.00 18.42 -0.346 N +ATOM 7913 CA LEU A 982 39.002 5.205 26.077 1.00 17.58 0.177 C +ATOM 7914 C LEU A 982 38.119 6.025 27.025 1.00 17.21 0.241 C +ATOM 7915 O LEU A 982 37.893 7.205 26.766 1.00 17.71 -0.271 OA +ATOM 7916 CB LEU A 982 38.114 4.382 25.108 1.00 17.39 0.038 C +ATOM 7917 CG LEU A 982 38.508 4.528 23.629 1.00 17.70 -0.020 C +ATOM 7918 CD1 LEU A 982 39.973 4.164 23.363 1.00 25.98 0.009 C +ATOM 7919 CD2 LEU A 982 37.567 3.716 22.722 1.00 15.71 0.009 C +ATOM 7920 H LEU A 982 39.745 3.303 26.656 1.00 18.42 0.163 HD +ATOM 7921 N GLU A 983 37.666 5.414 28.131 1.00 17.79 -0.346 N +ATOM 7922 CA GLU A 983 36.868 6.041 29.179 1.00 18.48 0.177 C +ATOM 7923 C GLU A 983 37.676 7.092 29.951 1.00 18.58 0.241 C +ATOM 7924 O GLU A 983 37.160 8.175 30.209 1.00 17.81 -0.271 OA +ATOM 7925 CB GLU A 983 36.404 4.954 30.162 1.00 18.23 0.045 C +ATOM 7926 CG GLU A 983 35.206 4.143 29.641 1.00 18.71 0.116 C +ATOM 7927 CD GLU A 983 34.934 2.875 30.453 1.00 20.35 0.172 C +ATOM 7928 OE1 GLU A 983 35.620 2.660 31.476 1.00 24.87 -0.648 OA +ATOM 7929 OE2 GLU A 983 34.011 2.134 30.053 1.00 19.85 -0.648 OA +ATOM 7930 H GLU A 983 37.883 4.433 28.249 1.00 17.79 0.163 HD +ATOM 7931 N ASN A 984 38.933 6.785 30.308 1.00 19.33 -0.346 N +ATOM 7932 CA ASN A 984 39.766 7.654 31.139 1.00 20.78 0.185 C +ATOM 7933 C ASN A 984 40.437 8.778 30.332 1.00 20.82 0.241 C +ATOM 7934 O ASN A 984 40.566 9.885 30.853 1.00 21.92 -0.271 OA +ATOM 7935 CB ASN A 984 40.884 6.820 31.810 1.00 22.18 0.137 C +ATOM 7936 CG ASN A 984 40.374 5.773 32.809 1.00 24.25 0.217 C +ATOM 7937 ND2 ASN A 984 41.107 4.668 32.943 1.00 26.69 -0.370 N +ATOM 7938 OD1 ASN A 984 39.330 5.939 33.435 1.00 28.65 -0.274 OA +ATOM 7939 H ASN A 984 39.296 5.873 30.066 1.00 19.33 0.163 HD +ATOM 7940 1HD2 ASN A 984 41.937 4.533 32.380 1.00 26.69 0.159 HD +ATOM 7941 2HD2 ASN A 984 40.813 3.949 33.579 1.00 26.69 0.159 HD +ATOM 7942 N GLU A 985 40.876 8.515 29.089 1.00 20.31 -0.346 N +ATOM 7943 CA GLU A 985 41.737 9.429 28.331 1.00 21.15 0.177 C +ATOM 7944 C GLU A 985 40.990 10.253 27.268 1.00 20.48 0.241 C +ATOM 7945 O GLU A 985 41.521 11.294 26.880 1.00 20.94 -0.271 OA +ATOM 7946 CB GLU A 985 42.839 8.612 27.622 1.00 21.55 0.045 C +ATOM 7947 CG GLU A 985 43.776 7.873 28.605 1.00 23.23 0.116 C +ATOM 7948 CD GLU A 985 44.922 7.110 27.934 1.00 24.39 0.172 C +ATOM 7949 OE1 GLU A 985 44.981 7.087 26.685 1.00 27.80 -0.648 OA +ATOM 7950 OE2 GLU A 985 45.727 6.522 28.687 1.00 30.02 -0.648 OA +ATOM 7951 H GLU A 985 40.744 7.585 28.714 1.00 20.31 0.163 HD +ATOM 7952 N VAL A 986 39.800 9.833 26.794 1.00 19.64 -0.346 N +ATOM 7953 CA VAL A 986 39.110 10.457 25.653 1.00 19.33 0.180 C +ATOM 7954 C VAL A 986 37.651 10.812 25.974 1.00 19.30 0.241 C +ATOM 7955 O VAL A 986 37.287 11.985 25.888 1.00 19.69 -0.271 OA +ATOM 7956 CB VAL A 986 39.300 9.642 24.338 1.00 18.24 0.009 C +ATOM 7957 CG1 VAL A 986 38.617 10.315 23.129 1.00 18.49 0.012 C +ATOM 7958 CG2 VAL A 986 40.783 9.390 24.002 1.00 20.63 0.012 C +ATOM 7959 H VAL A 986 39.405 8.981 27.166 1.00 19.64 0.163 HD +ATOM 7960 N LEU A 987 36.815 9.816 26.312 1.00 19.33 -0.346 N +ATOM 7961 CA LEU A 987 35.375 9.967 26.538 1.00 19.00 0.177 C +ATOM 7962 C LEU A 987 35.092 10.785 27.805 1.00 19.57 0.241 C +ATOM 7963 O LEU A 987 34.429 11.818 27.719 1.00 20.32 -0.271 OA +ATOM 7964 CB LEU A 987 34.725 8.563 26.626 1.00 18.76 0.038 C +ATOM 7965 CG LEU A 987 33.210 8.521 26.955 1.00 18.13 -0.020 C +ATOM 7966 CD1 LEU A 987 32.359 9.198 25.876 1.00 16.71 0.009 C +ATOM 7967 CD2 LEU A 987 32.719 7.087 27.201 1.00 18.75 0.009 C +ATOM 7968 H LEU A 987 37.193 8.878 26.374 1.00 19.33 0.163 HD +ATOM 7969 N LYS A 988 35.578 10.314 28.968 1.00 20.85 -0.346 N +ATOM 7970 CA LYS A 988 35.440 10.933 30.291 1.00 22.07 0.176 C +ATOM 7971 C LYS A 988 33.954 10.942 30.699 1.00 22.59 0.241 C +ATOM 7972 O LYS A 988 33.274 9.934 30.514 1.00 21.41 -0.271 OA +ATOM 7973 CB LYS A 988 36.168 12.299 30.349 1.00 22.93 0.035 C +ATOM 7974 CG LYS A 988 37.672 12.188 30.035 1.00 26.30 0.004 C +ATOM 7975 CD LYS A 988 38.376 13.552 30.035 1.00 29.53 0.027 C +ATOM 7976 CE LYS A 988 39.850 13.472 29.612 1.00 34.88 0.229 C +ATOM 7977 NZ LYS A 988 40.684 12.825 30.640 1.00 38.26 -0.079 N +ATOM 7978 H LYS A 988 36.101 9.450 28.940 1.00 20.85 0.163 HD +ATOM 7979 HZ1 LYS A 988 40.395 11.862 30.765 1.00 38.26 0.274 HD +ATOM 7980 HZ2 LYS A 988 41.651 12.842 30.350 1.00 38.26 0.274 HD +ATOM 7981 HZ3 LYS A 988 40.587 13.316 31.518 1.00 38.26 0.274 HD +ATOM 7982 N ASP A 989 33.431 12.066 31.208 1.00 23.74 -0.346 N +ATOM 7983 CA ASP A 989 32.012 12.255 31.525 1.00 24.55 0.186 C +ATOM 7984 C ASP A 989 31.350 13.178 30.491 1.00 22.88 0.241 C +ATOM 7985 O ASP A 989 30.539 14.035 30.845 1.00 22.40 -0.271 OA +ATOM 7986 CB ASP A 989 31.848 12.764 32.977 1.00 26.60 0.147 C +ATOM 7987 CG ASP A 989 32.350 11.750 34.006 1.00 31.46 0.175 C +ATOM 7988 OD1 ASP A 989 31.774 10.638 34.027 1.00 35.02 -0.648 OA +ATOM 7989 OD2 ASP A 989 33.294 12.101 34.746 1.00 37.28 -0.648 OA +ATOM 7990 H ASP A 989 34.034 12.869 31.326 1.00 23.74 0.163 HD +ATOM 7991 N SER A 990 31.659 12.963 29.196 1.00 21.17 -0.344 N +ATOM 7992 CA SER A 990 30.974 13.586 28.066 1.00 18.83 0.200 C +ATOM 7993 C SER A 990 29.529 13.076 27.993 1.00 17.84 0.243 C +ATOM 7994 O SER A 990 29.284 11.869 28.004 1.00 17.02 -0.271 OA +ATOM 7995 CB SER A 990 31.706 13.260 26.748 1.00 19.23 0.199 C +ATOM 7996 OG SER A 990 31.028 13.824 25.639 1.00 17.39 -0.398 OA +ATOM 7997 H SER A 990 32.356 12.262 28.984 1.00 21.17 0.163 HD +ATOM 7998 HG SER A 990 31.506 13.618 24.843 1.00 17.39 0.209 HD +ATOM 7999 N LYS A 991 28.590 14.024 27.908 1.00 16.55 -0.346 N +ATOM 8000 CA LYS A 991 27.167 13.774 27.743 1.00 15.72 0.176 C +ATOM 8001 C LYS A 991 26.765 13.871 26.263 1.00 14.41 0.241 C +ATOM 8002 O LYS A 991 25.572 13.846 25.987 1.00 14.65 -0.271 OA +ATOM 8003 CB LYS A 991 26.374 14.818 28.562 1.00 16.59 0.035 C +ATOM 8004 CG LYS A 991 26.647 14.719 30.071 1.00 19.55 0.004 C +ATOM 8005 CD LYS A 991 25.714 15.617 30.896 1.00 24.53 0.027 C +ATOM 8006 CE LYS A 991 26.062 15.640 32.391 1.00 29.14 0.229 C +ATOM 8007 NZ LYS A 991 25.848 14.324 33.018 1.00 32.03 -0.079 N +ATOM 8008 H LYS A 991 28.887 14.992 27.897 1.00 16.55 0.163 HD +ATOM 8009 HZ1 LYS A 991 26.447 13.639 32.579 1.00 32.03 0.274 HD +ATOM 8010 HZ2 LYS A 991 26.065 14.378 34.003 1.00 32.03 0.274 HD +ATOM 8011 HZ3 LYS A 991 24.884 14.047 32.900 1.00 32.03 0.274 HD +ATOM 8012 N ASN A 992 27.714 13.952 25.307 1.00 13.06 -0.346 N +ATOM 8013 CA ASN A 992 27.423 13.950 23.871 1.00 12.74 0.185 C +ATOM 8014 C ASN A 992 26.994 12.520 23.476 1.00 12.32 0.243 C +ATOM 8015 O ASN A 992 27.781 11.592 23.677 1.00 12.66 -0.271 OA +ATOM 8016 CB ASN A 992 28.694 14.333 23.073 1.00 13.38 0.137 C +ATOM 8017 CG ASN A 992 28.398 14.696 21.610 1.00 17.36 0.217 C +ATOM 8018 ND2 ASN A 992 28.713 15.921 21.199 1.00 18.73 -0.370 N +ATOM 8019 OD1 ASN A 992 27.860 13.891 20.856 1.00 19.29 -0.274 OA +ATOM 8020 H ASN A 992 28.686 13.949 25.584 1.00 13.06 0.163 HD +ATOM 8021 1HD2 ASN A 992 29.102 16.594 21.842 1.00 18.73 0.159 HD +ATOM 8022 2HD2 ASN A 992 28.501 16.190 20.248 1.00 18.73 0.159 HD +ATOM 8023 N PRO A 993 25.780 12.329 22.909 1.00 11.36 -0.337 N +ATOM 8024 CA PRO A 993 25.297 11.034 22.411 1.00 11.17 0.179 C +ATOM 8025 C PRO A 993 26.240 10.328 21.419 1.00 10.36 0.241 C +ATOM 8026 O PRO A 993 26.358 9.108 21.483 1.00 10.49 -0.271 OA +ATOM 8027 CB PRO A 993 23.965 11.341 21.717 1.00 10.70 0.037 C +ATOM 8028 CG PRO A 993 23.471 12.625 22.343 1.00 12.79 0.022 C +ATOM 8029 CD PRO A 993 24.735 13.351 22.790 1.00 11.50 0.127 C +ATOM 8030 N ASN A 994 26.931 11.076 20.537 1.00 10.55 -0.346 N +ATOM 8031 CA ASN A 994 27.855 10.520 19.543 1.00 10.20 0.185 C +ATOM 8032 C ASN A 994 29.131 9.955 20.173 1.00 10.14 0.241 C +ATOM 8033 O ASN A 994 29.614 8.936 19.688 1.00 10.00 -0.271 OA +ATOM 8034 CB ASN A 994 28.305 11.569 18.505 1.00 10.94 0.137 C +ATOM 8035 CG ASN A 994 27.221 12.073 17.561 1.00 10.98 0.217 C +ATOM 8036 ND2 ASN A 994 27.498 13.188 16.887 1.00 10.24 -0.370 N +ATOM 8037 OD1 ASN A 994 26.148 11.484 17.451 1.00 9.73 -0.274 OA +ATOM 8038 H ASN A 994 26.839 12.083 20.576 1.00 10.55 0.163 HD +ATOM 8039 1HD2 ASN A 994 28.387 13.655 17.013 1.00 10.24 0.159 HD +ATOM 8040 2HD2 ASN A 994 26.814 13.564 16.240 1.00 10.24 0.159 HD +ATOM 8041 N ASP A 995 29.663 10.577 21.240 1.00 9.16 -0.345 N +ATOM 8042 CA ASP A 995 30.843 10.081 21.956 1.00 10.55 0.186 C +ATOM 8043 C ASP A 995 30.535 8.781 22.714 1.00 10.03 0.241 C +ATOM 8044 O ASP A 995 31.325 7.843 22.635 1.00 10.06 -0.271 OA +ATOM 8045 CB ASP A 995 31.384 11.133 22.956 1.00 11.58 0.147 C +ATOM 8046 CG ASP A 995 31.944 12.410 22.328 1.00 13.88 0.175 C +ATOM 8047 OD1 ASP A 995 32.289 12.380 21.128 1.00 14.80 -0.648 OA +ATOM 8048 OD2 ASP A 995 32.076 13.405 23.073 1.00 16.80 -0.648 OA +ATOM 8049 H ASP A 995 29.213 11.410 21.593 1.00 9.16 0.163 HD +ATOM 8050 N ILE A 996 29.382 8.707 23.403 1.00 10.41 -0.346 N +ATOM 8051 CA ILE A 996 28.941 7.537 24.172 1.00 10.02 0.180 C +ATOM 8052 C ILE A 996 28.649 6.354 23.224 1.00 10.62 0.241 C +ATOM 8053 O ILE A 996 29.185 5.267 23.426 1.00 9.94 -0.271 OA +ATOM 8054 CB ILE A 996 27.703 7.903 25.045 1.00 8.86 0.013 C +ATOM 8055 CG1 ILE A 996 28.006 9.068 26.023 1.00 10.96 0.002 C +ATOM 8056 CG2 ILE A 996 27.171 6.688 25.840 1.00 11.68 0.012 C +ATOM 8057 CD1 ILE A 996 26.749 9.736 26.598 1.00 11.30 0.005 C +ATOM 8058 H ILE A 996 28.782 9.521 23.412 1.00 10.41 0.163 HD +ATOM 8059 N ARG A 997 27.859 6.574 22.160 1.00 9.78 -0.346 N +ATOM 8060 CA ARG A 997 27.514 5.557 21.163 1.00 10.53 0.176 C +ATOM 8061 C ARG A 997 28.718 5.074 20.338 1.00 11.15 0.241 C +ATOM 8062 O ARG A 997 28.722 3.915 19.931 1.00 11.64 -0.271 OA +ATOM 8063 CB ARG A 997 26.442 6.118 20.213 1.00 10.61 0.036 C +ATOM 8064 CG ARG A 997 25.065 6.272 20.884 1.00 11.52 0.023 C +ATOM 8065 CD ARG A 997 23.972 6.766 19.929 1.00 11.32 0.138 C +ATOM 8066 NE ARG A 997 24.271 8.095 19.367 1.00 10.97 -0.227 N +ATOM 8067 CZ ARG A 997 23.406 9.104 19.176 1.00 11.82 0.665 C +ATOM 8068 NH1 ARG A 997 23.792 10.203 18.518 1.00 9.94 -0.235 N +ATOM 8069 NH2 ARG A 997 22.149 9.035 19.617 1.00 10.81 -0.235 N +ATOM 8070 H ARG A 997 27.463 7.497 22.037 1.00 9.78 0.163 HD +ATOM 8071 HE ARG A 997 25.200 8.199 18.979 1.00 10.97 0.177 HD +ATOM 8072 HH11 ARG A 997 24.742 10.303 18.180 1.00 9.94 0.174 HD +ATOM 8073 HH12 ARG A 997 23.148 10.975 18.398 1.00 9.94 0.174 HD +ATOM 8074 HH21 ARG A 997 21.815 8.204 20.094 1.00 10.81 0.174 HD +ATOM 8075 HH22 ARG A 997 21.483 9.766 19.410 1.00 10.81 0.174 HD +ATOM 8076 N ALA A 998 29.744 5.917 20.123 1.00 9.56 -0.346 N +ATOM 8077 CA ALA A 998 30.963 5.555 19.398 1.00 9.35 0.172 C +ATOM 8078 C ALA A 998 31.880 4.623 20.204 1.00 10.65 0.240 C +ATOM 8079 O ALA A 998 32.502 3.743 19.618 1.00 11.42 -0.271 OA +ATOM 8080 CB ALA A 998 31.763 6.822 19.063 1.00 9.16 0.042 C +ATOM 8081 H ALA A 998 29.683 6.858 20.486 1.00 9.56 0.163 HD +ATOM 8082 N VAL A 999 31.956 4.797 21.533 1.00 10.41 -0.346 N +ATOM 8083 CA VAL A 999 32.816 4.009 22.421 1.00 11.30 0.180 C +ATOM 8084 C VAL A 999 32.213 2.625 22.721 1.00 11.78 0.241 C +ATOM 8085 O VAL A 999 32.980 1.696 22.971 1.00 13.42 -0.271 OA +ATOM 8086 CB VAL A 999 33.032 4.801 23.745 1.00 11.60 0.009 C +ATOM 8087 CG1 VAL A 999 33.722 4.003 24.877 1.00 12.56 0.012 C +ATOM 8088 CG2 VAL A 999 33.862 6.065 23.483 1.00 9.20 0.012 C +ATOM 8089 H VAL A 999 31.413 5.540 21.953 1.00 10.41 0.163 HD +ATOM 8090 N TYR A1000 30.876 2.477 22.708 1.00 11.35 -0.346 N +ATOM 8091 CA TYR A1000 30.205 1.306 23.269 1.00 11.70 0.180 C +ATOM 8092 C TYR A1000 29.492 0.438 22.231 1.00 11.51 0.241 C +ATOM 8093 O TYR A1000 29.725 -0.767 22.247 1.00 12.82 -0.271 OA +ATOM 8094 CB TYR A1000 29.265 1.747 24.407 1.00 12.20 0.073 C +ATOM 8095 CG TYR A1000 30.012 2.259 25.626 1.00 11.46 -0.056 A +ATOM 8096 CD1 TYR A1000 30.913 1.421 26.319 1.00 11.94 0.010 A +ATOM 8097 CD2 TYR A1000 29.827 3.588 26.056 1.00 10.44 0.010 A +ATOM 8098 CE1 TYR A1000 31.638 1.919 27.418 1.00 14.36 0.037 A +ATOM 8099 CE2 TYR A1000 30.544 4.085 27.156 1.00 12.34 0.037 A +ATOM 8100 CZ TYR A1000 31.447 3.250 27.835 1.00 14.30 0.065 A +ATOM 8101 OH TYR A1000 32.109 3.730 28.919 1.00 14.95 -0.361 OA +ATOM 8102 H TYR A1000 30.308 3.281 22.481 1.00 11.35 0.163 HD +ATOM 8103 HH TYR A1000 32.732 3.105 29.278 1.00 14.95 0.217 HD +ATOM 8104 N LEU A1001 28.642 0.993 21.344 1.00 10.84 -0.346 N +ATOM 8105 CA LEU A1001 27.854 0.203 20.383 1.00 11.20 0.177 C +ATOM 8106 C LEU A1001 28.667 -0.676 19.397 1.00 10.57 0.243 C +ATOM 8107 O LEU A1001 28.295 -1.838 19.247 1.00 11.17 -0.271 OA +ATOM 8108 CB LEU A1001 26.818 1.069 19.627 1.00 10.00 0.038 C +ATOM 8109 CG LEU A1001 25.638 1.582 20.477 1.00 12.15 -0.020 C +ATOM 8110 CD1 LEU A1001 24.784 2.565 19.662 1.00 12.79 0.009 C +ATOM 8111 CD2 LEU A1001 24.754 0.436 21.001 1.00 16.01 0.009 C +ATOM 8112 H LEU A1001 28.508 1.994 21.352 1.00 10.84 0.163 HD +ATOM 8113 N PRO A1002 29.749 -0.205 18.731 1.00 11.38 -0.337 N +ATOM 8114 CA PRO A1002 30.575 -1.039 17.834 1.00 11.46 0.179 C +ATOM 8115 C PRO A1002 31.242 -2.254 18.517 1.00 12.38 0.241 C +ATOM 8116 O PRO A1002 31.403 -3.290 17.874 1.00 12.56 -0.271 OA +ATOM 8117 CB PRO A1002 31.659 -0.108 17.283 1.00 11.02 0.037 C +ATOM 8118 CG PRO A1002 31.167 1.296 17.545 1.00 11.24 0.022 C +ATOM 8119 CD PRO A1002 30.151 1.194 18.667 1.00 11.10 0.127 C +ATOM 8120 N PHE A1003 31.585 -2.139 19.815 1.00 11.22 -0.346 N +ATOM 8121 CA PHE A1003 32.115 -3.213 20.660 1.00 12.48 0.180 C +ATOM 8122 C PHE A1003 31.085 -4.330 20.893 1.00 11.89 0.241 C +ATOM 8123 O PHE A1003 31.483 -5.491 20.981 1.00 11.69 -0.271 OA +ATOM 8124 CB PHE A1003 32.596 -2.624 22.014 1.00 12.88 0.073 C +ATOM 8125 CG PHE A1003 32.749 -3.625 23.148 1.00 15.09 -0.056 A +ATOM 8126 CD1 PHE A1003 33.726 -4.642 23.071 1.00 18.65 0.007 A +ATOM 8127 CD2 PHE A1003 31.859 -3.584 24.242 1.00 16.31 0.007 A +ATOM 8128 CE1 PHE A1003 33.797 -5.625 24.075 1.00 19.10 0.001 A +ATOM 8129 CE2 PHE A1003 31.931 -4.566 25.245 1.00 19.06 0.001 A +ATOM 8130 CZ PHE A1003 32.893 -5.588 25.153 1.00 16.07 0.000 A +ATOM 8131 H PHE A1003 31.447 -1.242 20.259 1.00 11.22 0.163 HD +ATOM 8132 N THR A1004 29.781 -4.011 20.974 1.00 11.76 -0.344 N +ATOM 8133 CA THR A1004 28.722 -5.003 21.186 1.00 12.32 0.205 C +ATOM 8134 C THR A1004 28.488 -5.924 19.970 1.00 13.10 0.243 C +ATOM 8135 O THR A1004 27.788 -6.926 20.103 1.00 14.07 -0.271 OA +ATOM 8136 CB THR A1004 27.411 -4.325 21.637 1.00 12.78 0.146 C +ATOM 8137 CG2 THR A1004 27.612 -3.364 22.815 1.00 12.36 0.042 C +ATOM 8138 OG1 THR A1004 26.740 -3.676 20.574 1.00 14.27 -0.393 OA +ATOM 8139 H THR A1004 29.512 -3.040 20.898 1.00 11.76 0.163 HD +ATOM 8140 HG1 THR A1004 27.310 -3.007 20.215 1.00 14.27 0.210 HD +ATOM 8141 N ASN A1005 29.110 -5.611 18.821 1.00 13.32 -0.345 N +ATOM 8142 CA ASN A1005 29.172 -6.441 17.619 1.00 14.97 0.185 C +ATOM 8143 C ASN A1005 30.450 -7.309 17.586 1.00 15.73 0.241 C +ATOM 8144 O ASN A1005 30.646 -8.033 16.612 1.00 17.14 -0.271 OA +ATOM 8145 CB ASN A1005 29.170 -5.536 16.363 1.00 15.80 0.137 C +ATOM 8146 CG ASN A1005 27.920 -4.659 16.253 1.00 18.52 0.217 C +ATOM 8147 ND2 ASN A1005 28.094 -3.339 16.269 1.00 17.15 -0.370 N +ATOM 8148 OD1 ASN A1005 26.805 -5.168 16.174 1.00 26.58 -0.274 OA +ATOM 8149 H ASN A1005 29.652 -4.758 18.807 1.00 13.32 0.163 HD +ATOM 8150 1HD2 ASN A1005 29.019 -2.948 16.369 1.00 17.15 0.159 HD +ATOM 8151 2HD2 ASN A1005 27.281 -2.734 16.233 1.00 17.15 0.159 HD +ATOM 8152 N ASN A1006 31.303 -7.292 18.630 1.00 14.95 -0.346 N +ATOM 8153 CA ASN A1006 32.389 -8.261 18.807 1.00 13.93 0.185 C +ATOM 8154 C ASN A1006 31.738 -9.505 19.430 1.00 13.68 0.241 C +ATOM 8155 O ASN A1006 31.475 -9.545 20.631 1.00 13.93 -0.271 OA +ATOM 8156 CB ASN A1006 33.472 -7.679 19.758 1.00 14.38 0.137 C +ATOM 8157 CG ASN A1006 34.834 -8.402 19.720 1.00 16.68 0.217 C +ATOM 8158 ND2 ASN A1006 34.885 -9.689 19.372 1.00 16.36 -0.370 N +ATOM 8159 OD1 ASN A1006 35.857 -7.805 20.043 1.00 15.07 -0.274 OA +ATOM 8160 H ASN A1006 31.118 -6.663 19.400 1.00 14.95 0.163 HD +ATOM 8161 1HD2 ASN A1006 34.050 -10.178 19.090 1.00 16.36 0.159 HD +ATOM 8162 2HD2 ASN A1006 35.785 -10.147 19.336 1.00 16.36 0.159 HD +ATOM 8163 N LEU A1007 31.473 -10.511 18.583 1.00 13.71 -0.346 N +ATOM 8164 CA LEU A1007 30.746 -11.733 18.913 1.00 15.06 0.177 C +ATOM 8165 C LEU A1007 31.411 -12.542 20.040 1.00 15.60 0.241 C +ATOM 8166 O LEU A1007 30.706 -13.055 20.905 1.00 15.60 -0.271 OA +ATOM 8167 CB LEU A1007 30.601 -12.574 17.627 1.00 15.09 0.038 C +ATOM 8168 CG LEU A1007 29.747 -13.857 17.745 1.00 14.99 -0.020 C +ATOM 8169 CD1 LEU A1007 28.264 -13.552 18.011 1.00 13.97 0.009 C +ATOM 8170 CD2 LEU A1007 29.899 -14.721 16.488 1.00 14.99 0.009 C +ATOM 8171 H LEU A1007 31.714 -10.379 17.608 1.00 13.71 0.163 HD +ATOM 8172 N ARG A1008 32.751 -12.635 20.040 1.00 15.86 -0.346 N +ATOM 8173 CA ARG A1008 33.505 -13.462 20.976 1.00 18.03 0.176 C +ATOM 8174 C ARG A1008 33.847 -12.717 22.289 1.00 18.24 0.241 C +ATOM 8175 O ARG A1008 34.050 -13.389 23.298 1.00 19.74 -0.271 OA +ATOM 8176 CB ARG A1008 34.805 -13.918 20.272 1.00 18.98 0.036 C +ATOM 8177 CG ARG A1008 35.443 -15.164 20.915 1.00 22.95 0.023 C +ATOM 8178 CD ARG A1008 36.771 -15.590 20.269 1.00 23.58 0.138 C +ATOM 8179 NE ARG A1008 36.603 -16.301 18.991 1.00 24.00 -0.227 N +ATOM 8180 CZ ARG A1008 36.249 -17.590 18.837 1.00 20.46 0.665 C +ATOM 8181 NH1 ARG A1008 35.838 -18.344 19.866 1.00 19.71 -0.235 N +ATOM 8182 NH2 ARG A1008 36.315 -18.156 17.627 1.00 20.76 -0.235 N +ATOM 8183 H ARG A1008 33.261 -12.197 19.286 1.00 15.86 0.163 HD +ATOM 8184 HE ARG A1008 36.835 -15.775 18.157 1.00 24.00 0.177 HD +ATOM 8185 HH11 ARG A1008 35.771 -17.960 20.796 1.00 19.71 0.174 HD +ATOM 8186 HH12 ARG A1008 35.606 -19.319 19.713 1.00 19.71 0.174 HD +ATOM 8187 HH21 ARG A1008 36.736 -17.688 16.834 1.00 20.76 0.174 HD +ATOM 8188 HH22 ARG A1008 36.060 -19.139 17.542 1.00 20.76 0.174 HD +ATOM 8189 N ARG A1009 33.910 -11.369 22.312 1.00 16.62 -0.346 N +ATOM 8190 CA ARG A1009 34.312 -10.604 23.504 1.00 16.08 0.176 C +ATOM 8191 C ARG A1009 33.127 -9.964 24.230 1.00 14.62 0.241 C +ATOM 8192 O ARG A1009 33.117 -10.013 25.456 1.00 14.96 -0.271 OA +ATOM 8193 CB ARG A1009 35.296 -9.476 23.140 1.00 17.47 0.036 C +ATOM 8194 CG ARG A1009 36.605 -9.965 22.507 1.00 23.75 0.023 C +ATOM 8195 CD ARG A1009 37.565 -10.658 23.483 1.00 28.02 0.138 C +ATOM 8196 NE ARG A1009 38.571 -11.424 22.738 1.00 37.16 -0.227 N +ATOM 8197 CZ ARG A1009 38.677 -12.762 22.664 1.00 39.37 0.665 C +ATOM 8198 NH1 ARG A1009 37.843 -13.577 23.326 1.00 41.55 -0.235 N +ATOM 8199 NH2 ARG A1009 39.634 -13.292 21.894 1.00 41.58 -0.235 N +ATOM 8200 H ARG A1009 33.712 -10.857 21.465 1.00 16.62 0.163 HD +ATOM 8201 HE ARG A1009 39.179 -10.865 22.152 1.00 37.16 0.177 HD +ATOM 8202 HH11 ARG A1009 37.118 -13.188 23.911 1.00 41.55 0.174 HD +ATOM 8203 HH12 ARG A1009 37.953 -14.579 23.277 1.00 41.55 0.174 HD +ATOM 8204 HH21 ARG A1009 40.246 -12.690 21.362 1.00 41.58 0.174 HD +ATOM 8205 HH22 ARG A1009 39.746 -14.294 21.826 1.00 41.58 0.174 HD +ATOM 8206 N PHE A1010 32.130 -9.383 23.533 1.00 12.82 -0.346 N +ATOM 8207 CA PHE A1010 30.949 -8.792 24.183 1.00 11.33 0.180 C +ATOM 8208 C PHE A1010 30.071 -9.864 24.848 1.00 10.82 0.241 C +ATOM 8209 O PHE A1010 29.480 -9.597 25.892 1.00 11.10 -0.271 OA +ATOM 8210 CB PHE A1010 30.094 -7.990 23.178 1.00 11.24 0.073 C +ATOM 8211 CG PHE A1010 28.761 -7.512 23.742 1.00 10.72 -0.056 A +ATOM 8212 CD1 PHE A1010 28.729 -6.569 24.790 1.00 11.03 0.007 A +ATOM 8213 CD2 PHE A1010 27.557 -8.089 23.288 1.00 10.98 0.007 A +ATOM 8214 CE1 PHE A1010 27.503 -6.229 25.390 1.00 12.15 0.001 A +ATOM 8215 CE2 PHE A1010 26.335 -7.749 23.896 1.00 12.23 0.001 A +ATOM 8216 CZ PHE A1010 26.306 -6.813 24.944 1.00 12.04 0.000 A +ATOM 8217 H PHE A1010 32.163 -9.380 22.522 1.00 12.82 0.163 HD +ATOM 8218 N HIS A1011 30.012 -11.067 24.261 1.00 10.90 -0.346 N +ATOM 8219 CA HIS A1011 29.321 -12.222 24.814 1.00 12.00 0.182 C +ATOM 8220 C HIS A1011 30.315 -13.139 25.546 1.00 13.63 0.241 C +ATOM 8221 O HIS A1011 30.189 -14.360 25.479 1.00 14.62 -0.271 OA +ATOM 8222 CB HIS A1011 28.634 -12.986 23.669 1.00 11.47 0.093 C +ATOM 8223 CG HIS A1011 27.584 -12.215 22.920 1.00 13.53 0.030 A +ATOM 8224 CD2 HIS A1011 27.595 -11.622 21.680 1.00 12.08 0.143 A +ATOM 8225 ND1 HIS A1011 26.323 -11.978 23.433 1.00 13.52 -0.353 N +ATOM 8226 CE1 HIS A1011 25.639 -11.304 22.508 1.00 13.52 0.207 A +ATOM 8227 NE2 HIS A1011 26.350 -11.047 21.419 1.00 13.16 -0.254 NA +ATOM 8228 H HIS A1011 30.525 -11.204 23.401 1.00 10.90 0.163 HD +ATOM 8229 HD1 HIS A1011 25.984 -12.272 24.342 1.00 13.52 0.166 HD +ATOM 8230 N ASP A1012 31.285 -12.568 26.285 1.00 13.70 -0.345 N +ATOM 8231 CA ASP A1012 32.139 -13.292 27.231 1.00 15.46 0.186 C +ATOM 8232 C ASP A1012 31.263 -13.961 28.307 1.00 15.69 0.241 C +ATOM 8233 O ASP A1012 30.361 -13.317 28.843 1.00 15.18 -0.271 OA +ATOM 8234 CB ASP A1012 33.194 -12.328 27.820 1.00 15.73 0.147 C +ATOM 8235 CG ASP A1012 34.218 -13.011 28.729 1.00 20.11 0.175 C +ATOM 8236 OD1 ASP A1012 35.364 -13.189 28.265 1.00 22.53 -0.648 OA +ATOM 8237 OD2 ASP A1012 33.848 -13.344 29.875 1.00 22.06 -0.648 OA +ATOM 8238 H ASP A1012 31.357 -11.561 26.281 1.00 13.70 0.163 HD +ATOM 8239 N ILE A1013 31.490 -15.258 28.571 1.00 16.88 -0.346 N +ATOM 8240 CA ILE A1013 30.614 -16.114 29.379 1.00 17.59 0.180 C +ATOM 8241 C ILE A1013 30.573 -15.730 30.876 1.00 17.74 0.241 C +ATOM 8242 O ILE A1013 29.686 -16.201 31.585 1.00 18.90 -0.271 OA +ATOM 8243 CB ILE A1013 31.018 -17.604 29.160 1.00 18.27 0.013 C +ATOM 8244 CG1 ILE A1013 29.895 -18.616 29.500 1.00 19.57 0.002 C +ATOM 8245 CG2 ILE A1013 32.319 -17.995 29.895 1.00 20.75 0.012 C +ATOM 8246 CD1 ILE A1013 28.619 -18.473 28.653 1.00 21.55 0.005 C +ATOM 8247 H ILE A1013 32.281 -15.704 28.120 1.00 16.88 0.163 HD +ATOM 8248 N SER A1014 31.470 -14.846 31.354 1.00 17.32 -0.344 N +ATOM 8249 CA SER A1014 31.404 -14.244 32.689 1.00 17.35 0.200 C +ATOM 8250 C SER A1014 30.305 -13.163 32.802 1.00 17.03 0.242 C +ATOM 8251 O SER A1014 29.956 -12.773 33.914 1.00 17.48 -0.271 OA +ATOM 8252 CB SER A1014 32.781 -13.635 33.041 1.00 18.74 0.199 C +ATOM 8253 OG SER A1014 33.070 -12.441 32.341 1.00 17.71 -0.398 OA +ATOM 8254 H SER A1014 32.172 -14.487 30.719 1.00 17.32 0.163 HD +ATOM 8255 HG SER A1014 33.283 -12.669 31.442 1.00 17.71 0.209 HD +ATOM 8256 N GLY A1015 29.765 -12.684 31.669 1.00 15.63 -0.350 N +ATOM 8257 CA GLY A1015 28.743 -11.648 31.586 1.00 15.95 0.225 C +ATOM 8258 C GLY A1015 29.284 -10.215 31.683 1.00 16.62 0.236 C +ATOM 8259 O GLY A1015 28.487 -9.282 31.659 1.00 15.99 -0.272 OA +ATOM 8260 H GLY A1015 30.099 -13.057 30.789 1.00 15.63 0.163 HD +ATOM 8261 N LYS A1016 30.612 -10.016 31.795 1.00 16.38 -0.346 N +ATOM 8262 CA LYS A1016 31.247 -8.712 32.014 1.00 16.99 0.176 C +ATOM 8263 C LYS A1016 31.018 -7.668 30.899 1.00 15.31 0.240 C +ATOM 8264 O LYS A1016 31.084 -6.471 31.174 1.00 16.15 -0.271 OA +ATOM 8265 CB LYS A1016 32.749 -8.902 32.309 1.00 17.74 0.035 C +ATOM 8266 CG LYS A1016 33.632 -9.361 31.134 1.00 21.46 0.004 C +ATOM 8267 CD LYS A1016 35.112 -9.393 31.539 1.00 23.74 0.027 C +ATOM 8268 CE LYS A1016 36.039 -9.833 30.404 1.00 24.84 0.229 C +ATOM 8269 NZ LYS A1016 37.450 -9.724 30.804 1.00 26.50 -0.079 N +ATOM 8270 H LYS A1016 31.213 -10.829 31.804 1.00 16.38 0.163 HD +ATOM 8271 HZ1 LYS A1016 37.640 -10.355 31.568 1.00 26.50 0.274 HD +ATOM 8272 HZ2 LYS A1016 38.039 -9.961 30.013 1.00 26.50 0.274 HD +ATOM 8273 HZ3 LYS A1016 37.648 -8.773 31.095 1.00 26.50 0.274 HD +ATOM 8274 N GLY A1017 30.703 -8.103 29.669 1.00 14.40 -0.351 N +ATOM 8275 CA GLY A1017 30.312 -7.238 28.559 1.00 12.98 0.225 C +ATOM 8276 C GLY A1017 28.887 -6.711 28.712 1.00 12.68 0.236 C +ATOM 8277 O GLY A1017 28.639 -5.543 28.422 1.00 13.10 -0.272 OA +ATOM 8278 H GLY A1017 30.646 -9.101 29.513 1.00 14.40 0.163 HD +ATOM 8279 N TYR A1018 27.971 -7.548 29.225 1.00 12.57 -0.346 N +ATOM 8280 CA TYR A1018 26.580 -7.190 29.506 1.00 12.00 0.180 C +ATOM 8281 C TYR A1018 26.507 -6.262 30.726 1.00 12.66 0.241 C +ATOM 8282 O TYR A1018 25.705 -5.334 30.726 1.00 13.02 -0.271 OA +ATOM 8283 CB TYR A1018 25.757 -8.460 29.819 1.00 12.35 0.073 C +ATOM 8284 CG TYR A1018 25.844 -9.607 28.828 1.00 12.02 -0.056 A +ATOM 8285 CD1 TYR A1018 26.171 -9.397 27.472 1.00 13.11 0.010 A +ATOM 8286 CD2 TYR A1018 25.607 -10.916 29.288 1.00 11.94 0.010 A +ATOM 8287 CE1 TYR A1018 26.282 -10.488 26.595 1.00 11.57 0.037 A +ATOM 8288 CE2 TYR A1018 25.704 -12.009 28.410 1.00 12.79 0.037 A +ATOM 8289 CZ TYR A1018 26.036 -11.792 27.062 1.00 11.97 0.065 A +ATOM 8290 OH TYR A1018 26.103 -12.849 26.210 1.00 14.02 -0.361 OA +ATOM 8291 H TYR A1018 28.262 -8.486 29.467 1.00 12.57 0.163 HD +ATOM 8292 HH TYR A1018 25.891 -13.667 26.635 1.00 14.02 0.217 HD +ATOM 8293 N LYS A1019 27.378 -6.481 31.729 1.00 13.05 -0.346 N +ATOM 8294 CA LYS A1019 27.534 -5.650 32.920 1.00 13.50 0.176 C +ATOM 8295 C LYS A1019 28.098 -4.265 32.573 1.00 14.29 0.241 C +ATOM 8296 O LYS A1019 27.620 -3.276 33.122 1.00 15.93 -0.271 OA +ATOM 8297 CB LYS A1019 28.467 -6.382 33.908 1.00 14.49 0.035 C +ATOM 8298 CG LYS A1019 28.577 -5.717 35.291 1.00 16.86 0.004 C +ATOM 8299 CD LYS A1019 29.488 -6.513 36.237 0.00 8.62 0.027 C +ATOM 8300 CE LYS A1019 29.693 -5.850 37.607 0.00 8.91 0.229 C +ATOM 8301 NZ LYS A1019 28.466 -5.882 38.420 0.00 9.15 -0.079 N +ATOM 8302 H LYS A1019 27.987 -7.285 31.650 1.00 13.05 0.163 HD +ATOM 8303 HZ1 LYS A1019 27.769 -5.281 37.997 1.00 9.15 0.274 HD +ATOM 8304 HZ2 LYS A1019 28.112 -6.827 38.471 1.00 9.15 0.274 HD +ATOM 8305 HZ3 LYS A1019 28.666 -5.542 39.349 1.00 9.15 0.274 HD +ATOM 8306 N LEU A1020 29.067 -4.187 31.642 1.00 13.65 -0.346 N +ATOM 8307 CA LEU A1020 29.661 -2.941 31.154 1.00 14.80 0.177 C +ATOM 8308 C LEU A1020 28.619 -2.053 30.458 1.00 13.70 0.241 C +ATOM 8309 O LEU A1020 28.497 -0.882 30.809 1.00 13.96 -0.271 OA +ATOM 8310 CB LEU A1020 30.845 -3.265 30.211 1.00 15.09 0.038 C +ATOM 8311 CG LEU A1020 31.551 -2.051 29.559 1.00 17.07 -0.020 C +ATOM 8312 CD1 LEU A1020 32.157 -1.098 30.601 1.00 20.40 0.009 C +ATOM 8313 CD2 LEU A1020 32.630 -2.516 28.573 1.00 16.83 0.009 C +ATOM 8314 H LEU A1020 29.411 -5.048 31.240 1.00 13.65 0.163 HD +ATOM 8315 N ILE A1021 27.851 -2.605 29.503 1.00 11.98 -0.346 N +ATOM 8316 CA ILE A1021 26.826 -1.865 28.766 1.00 12.03 0.180 C +ATOM 8317 C ILE A1021 25.606 -1.543 29.653 1.00 11.90 0.241 C +ATOM 8318 O ILE A1021 25.035 -0.470 29.487 1.00 11.01 -0.271 OA +ATOM 8319 CB ILE A1021 26.433 -2.640 27.478 1.00 12.31 0.013 C +ATOM 8320 CG1 ILE A1021 27.634 -2.844 26.523 1.00 16.55 0.002 C +ATOM 8321 CG2 ILE A1021 25.257 -2.003 26.708 1.00 13.51 0.012 C +ATOM 8322 CD1 ILE A1021 28.273 -1.565 25.967 1.00 19.32 0.005 C +ATOM 8323 H ILE A1021 27.994 -3.578 29.267 1.00 11.98 0.163 HD +ATOM 8324 N ALA A1022 25.242 -2.403 30.622 1.00 11.92 -0.346 N +ATOM 8325 CA ALA A1022 24.170 -2.150 31.592 1.00 11.77 0.172 C +ATOM 8326 C ALA A1022 24.491 -1.002 32.566 1.00 13.47 0.240 C +ATOM 8327 O ALA A1022 23.589 -0.240 32.911 1.00 14.19 -0.271 OA +ATOM 8328 CB ALA A1022 23.875 -3.433 32.376 1.00 12.49 0.042 C +ATOM 8329 H ALA A1022 25.744 -3.277 30.710 1.00 11.92 0.163 HD +ATOM 8330 N GLU A1023 25.772 -0.828 32.939 1.00 13.73 -0.346 N +ATOM 8331 CA GLU A1023 26.266 0.296 33.740 1.00 15.83 0.177 C +ATOM 8332 C GLU A1023 26.247 1.601 32.926 1.00 14.33 0.241 C +ATOM 8333 O GLU A1023 25.890 2.643 33.471 1.00 14.05 -0.271 OA +ATOM 8334 CB GLU A1023 27.720 0.014 34.172 1.00 16.02 0.045 C +ATOM 8335 CG GLU A1023 27.820 -0.951 35.368 1.00 19.89 0.116 C +ATOM 8336 CD GLU A1023 29.229 -1.497 35.619 1.00 21.76 0.172 C +ATOM 8337 OE1 GLU A1023 30.173 -1.060 34.925 1.00 26.84 -0.648 OA +ATOM 8338 OE2 GLU A1023 29.338 -2.358 36.520 1.00 27.58 -0.648 OA +ATOM 8339 H GLU A1023 26.454 -1.509 32.634 1.00 13.73 0.163 HD +ATOM 8340 N VAL A1024 26.597 1.541 31.631 1.00 12.72 -0.346 N +ATOM 8341 CA VAL A1024 26.581 2.667 30.696 1.00 13.35 0.180 C +ATOM 8342 C VAL A1024 25.144 3.134 30.403 1.00 12.50 0.241 C +ATOM 8343 O VAL A1024 24.918 4.341 30.371 1.00 12.47 -0.271 OA +ATOM 8344 CB VAL A1024 27.337 2.256 29.406 1.00 13.82 0.009 C +ATOM 8345 CG1 VAL A1024 27.131 3.200 28.207 1.00 15.66 0.012 C +ATOM 8346 CG2 VAL A1024 28.841 2.108 29.679 1.00 14.37 0.012 C +ATOM 8347 H VAL A1024 26.892 0.645 31.265 1.00 12.72 0.163 HD +ATOM 8348 N ILE A1025 24.179 2.209 30.236 1.00 11.99 -0.346 N +ATOM 8349 CA ILE A1025 22.748 2.496 30.075 1.00 11.77 0.180 C +ATOM 8350 C ILE A1025 22.206 3.242 31.306 1.00 11.54 0.241 C +ATOM 8351 O ILE A1025 21.588 4.289 31.139 1.00 11.07 -0.271 OA +ATOM 8352 CB ILE A1025 21.951 1.189 29.798 1.00 12.52 0.013 C +ATOM 8353 CG1 ILE A1025 22.251 0.603 28.402 1.00 11.70 0.002 C +ATOM 8354 CG2 ILE A1025 20.424 1.368 29.962 1.00 11.09 0.012 C +ATOM 8355 CD1 ILE A1025 21.971 -0.904 28.311 1.00 12.98 0.005 C +ATOM 8356 H ILE A1025 24.450 1.234 30.251 1.00 11.99 0.163 HD +ATOM 8357 N THR A1026 22.463 2.724 32.520 1.00 12.13 -0.344 N +ATOM 8358 CA THR A1026 22.023 3.283 33.803 1.00 12.94 0.205 C +ATOM 8359 C THR A1026 22.615 4.680 34.068 1.00 14.34 0.243 C +ATOM 8360 O THR A1026 21.906 5.553 34.568 1.00 14.76 -0.271 OA +ATOM 8361 CB THR A1026 22.408 2.290 34.929 1.00 13.62 0.146 C +ATOM 8362 CG2 THR A1026 22.190 2.804 36.363 1.00 14.06 0.042 C +ATOM 8363 OG1 THR A1026 21.591 1.150 34.790 1.00 12.10 -0.393 OA +ATOM 8364 H THR A1026 22.956 1.841 32.561 1.00 12.13 0.163 HD +ATOM 8365 HG1 THR A1026 21.848 0.503 35.434 1.00 12.10 0.210 HD +ATOM 8366 N LYS A1027 23.893 4.896 33.705 1.00 14.30 -0.346 N +ATOM 8367 CA LYS A1027 24.593 6.177 33.812 1.00 15.95 0.176 C +ATOM 8368 C LYS A1027 24.028 7.201 32.815 1.00 15.20 0.241 C +ATOM 8369 O LYS A1027 23.837 8.358 33.187 1.00 15.50 -0.271 OA +ATOM 8370 CB LYS A1027 26.097 5.950 33.539 1.00 16.40 0.035 C +ATOM 8371 CG LYS A1027 26.991 7.190 33.748 1.00 18.01 0.004 C +ATOM 8372 CD LYS A1027 28.466 6.903 33.421 1.00 19.78 0.027 C +ATOM 8373 CE LYS A1027 29.422 8.053 33.782 1.00 25.52 0.229 C +ATOM 8374 NZ LYS A1027 29.332 9.185 32.844 1.00 31.07 -0.079 N +ATOM 8375 H LYS A1027 24.409 4.123 33.307 1.00 14.30 0.163 HD +ATOM 8376 HZ1 LYS A1027 29.533 8.872 31.906 1.00 31.07 0.274 HD +ATOM 8377 HZ2 LYS A1027 28.408 9.594 32.869 1.00 31.07 0.274 HD +ATOM 8378 HZ3 LYS A1027 30.018 9.881 33.114 1.00 31.07 0.274 HD +ATOM 8379 N THR A1028 23.737 6.774 31.573 1.00 13.25 -0.344 N +ATOM 8380 CA THR A1028 23.192 7.624 30.513 1.00 12.28 0.205 C +ATOM 8381 C THR A1028 21.726 7.989 30.801 1.00 11.54 0.243 C +ATOM 8382 O THR A1028 21.329 9.109 30.499 1.00 11.59 -0.271 OA +ATOM 8383 CB THR A1028 23.314 6.922 29.135 1.00 11.91 0.146 C +ATOM 8384 CG2 THR A1028 22.803 7.773 27.959 1.00 10.06 0.042 C +ATOM 8385 OG1 THR A1028 24.678 6.684 28.854 1.00 12.12 -0.393 OA +ATOM 8386 H THR A1028 23.912 5.804 31.346 1.00 13.25 0.163 HD +ATOM 8387 HG1 THR A1028 24.964 5.960 29.396 1.00 12.12 0.210 HD +ATOM 8388 N ASP A1029 20.942 7.082 31.414 1.00 11.29 -0.345 N +ATOM 8389 CA ASP A1029 19.517 7.243 31.722 1.00 12.90 0.186 C +ATOM 8390 C ASP A1029 19.216 8.366 32.729 1.00 13.94 0.241 C +ATOM 8391 O ASP A1029 18.115 8.915 32.716 1.00 15.96 -0.271 OA +ATOM 8392 CB ASP A1029 18.960 5.898 32.242 1.00 13.50 0.147 C +ATOM 8393 CG ASP A1029 17.432 5.846 32.272 1.00 15.21 0.175 C +ATOM 8394 OD1 ASP A1029 16.848 6.020 31.185 1.00 15.64 -0.648 OA +ATOM 8395 OD2 ASP A1029 16.870 5.625 33.366 1.00 17.07 -0.648 OA +ATOM 8396 H ASP A1029 21.346 6.177 31.622 1.00 11.29 0.163 HD +ATOM 8397 N LYS A1030 20.208 8.739 33.556 1.00 14.79 -0.346 N +ATOM 8398 CA LYS A1030 20.148 9.836 34.522 1.00 16.66 0.176 C +ATOM 8399 C LYS A1030 20.049 11.223 33.865 1.00 15.53 0.241 C +ATOM 8400 O LYS A1030 19.592 12.157 34.525 1.00 16.36 -0.271 OA +ATOM 8401 CB LYS A1030 21.416 9.798 35.400 1.00 16.80 0.035 C +ATOM 8402 CG LYS A1030 21.402 8.642 36.407 1.00 20.02 0.004 C +ATOM 8403 CD LYS A1030 22.692 8.538 37.232 1.00 21.62 0.027 C +ATOM 8404 CE LYS A1030 22.556 7.580 38.427 1.00 28.75 0.229 C +ATOM 8405 NZ LYS A1030 22.332 6.189 37.998 1.00 32.85 -0.079 N +ATOM 8406 H LYS A1030 21.080 8.233 33.492 1.00 14.79 0.163 HD +ATOM 8407 HZ1 LYS A1030 23.137 5.870 37.471 1.00 32.85 0.274 HD +ATOM 8408 HZ2 LYS A1030 22.212 5.596 38.807 1.00 32.85 0.274 HD +ATOM 8409 HZ3 LYS A1030 21.501 6.135 37.420 1.00 32.85 0.274 HD +ATOM 8410 N PHE A1031 20.450 11.356 32.589 1.00 14.01 -0.346 N +ATOM 8411 CA PHE A1031 20.490 12.616 31.852 1.00 14.79 0.180 C +ATOM 8412 C PHE A1031 19.882 12.541 30.446 1.00 14.01 0.241 C +ATOM 8413 O PHE A1031 19.419 13.568 29.962 1.00 14.19 -0.271 OA +ATOM 8414 CB PHE A1031 21.904 13.231 31.903 1.00 14.42 0.073 C +ATOM 8415 CG PHE A1031 22.976 12.475 31.137 1.00 13.75 -0.056 A +ATOM 8416 CD1 PHE A1031 23.814 11.572 31.818 1.00 13.02 0.007 A +ATOM 8417 CD2 PHE A1031 23.137 12.668 29.747 1.00 13.03 0.007 A +ATOM 8418 CE1 PHE A1031 24.810 10.869 31.116 1.00 12.04 0.001 A +ATOM 8419 CE2 PHE A1031 24.112 11.941 29.040 1.00 12.40 0.001 A +ATOM 8420 CZ PHE A1031 24.949 11.043 29.726 1.00 10.88 0.000 A +ATOM 8421 H PHE A1031 20.801 10.534 32.117 1.00 14.01 0.163 HD +ATOM 8422 N ASN A1032 19.860 11.366 29.798 1.00 13.04 -0.346 N +ATOM 8423 CA ASN A1032 19.321 11.149 28.456 1.00 12.09 0.185 C +ATOM 8424 C ASN A1032 18.641 9.771 28.374 1.00 12.76 0.243 C +ATOM 8425 O ASN A1032 19.264 8.821 27.897 1.00 13.07 -0.271 OA +ATOM 8426 CB ASN A1032 20.417 11.384 27.391 1.00 11.15 0.137 C +ATOM 8427 CG ASN A1032 19.841 11.617 25.990 1.00 10.94 0.217 C +ATOM 8428 ND2 ASN A1032 20.382 12.593 25.269 1.00 12.17 -0.370 N +ATOM 8429 OD1 ASN A1032 18.903 10.948 25.563 1.00 10.39 -0.274 OA +ATOM 8430 H ASN A1032 20.280 10.561 30.247 1.00 13.04 0.163 HD +ATOM 8431 1HD2 ASN A1032 21.183 13.107 25.623 1.00 12.17 0.159 HD +ATOM 8432 2HD2 ASN A1032 20.020 12.784 24.341 1.00 12.17 0.159 HD +ATOM 8433 N PRO A1033 17.365 9.653 28.804 1.00 13.92 -0.337 N +ATOM 8434 CA PRO A1033 16.523 8.458 28.645 1.00 13.77 0.179 C +ATOM 8435 C PRO A1033 16.445 7.832 27.238 1.00 13.25 0.241 C +ATOM 8436 O PRO A1033 16.401 6.607 27.130 1.00 13.39 -0.271 OA +ATOM 8437 CB PRO A1033 15.129 8.922 29.079 1.00 15.28 0.037 C +ATOM 8438 CG PRO A1033 15.386 10.017 30.086 1.00 15.85 0.022 C +ATOM 8439 CD PRO A1033 16.670 10.671 29.598 1.00 14.39 0.127 C +ATOM 8440 N MET A1034 16.428 8.652 26.171 1.00 13.80 -0.346 N +ATOM 8441 CA MET A1034 16.293 8.196 24.786 1.00 15.21 0.177 C +ATOM 8442 C MET A1034 17.564 7.482 24.298 1.00 13.50 0.241 C +ATOM 8443 O MET A1034 17.456 6.405 23.715 1.00 12.44 -0.271 OA +ATOM 8444 CB MET A1034 15.981 9.407 23.881 1.00 15.10 0.045 C +ATOM 8445 CG MET A1034 15.612 9.016 22.441 1.00 16.67 0.076 C +ATOM 8446 SD MET A1034 15.069 10.408 21.423 1.00 24.15 -0.173 SA +ATOM 8447 CE MET A1034 14.857 9.546 19.847 1.00 24.40 0.089 C +ATOM 8448 H MET A1034 16.463 9.652 26.327 1.00 13.80 0.163 HD +ATOM 8449 N VAL A1035 18.753 8.052 24.561 1.00 11.41 -0.346 N +ATOM 8450 CA VAL A1035 20.049 7.475 24.188 1.00 11.54 0.180 C +ATOM 8451 C VAL A1035 20.405 6.275 25.087 1.00 12.04 0.241 C +ATOM 8452 O VAL A1035 21.073 5.359 24.613 1.00 11.79 -0.271 OA +ATOM 8453 CB VAL A1035 21.144 8.577 24.226 1.00 11.68 0.009 C +ATOM 8454 CG1 VAL A1035 22.572 8.059 23.949 1.00 11.06 0.012 C +ATOM 8455 CG2 VAL A1035 20.830 9.687 23.204 1.00 13.45 0.012 C +ATOM 8456 H VAL A1035 18.761 8.939 25.048 1.00 11.41 0.163 HD +ATOM 8457 N ALA A1036 19.899 6.221 26.333 1.00 12.22 -0.346 N +ATOM 8458 CA ALA A1036 20.011 5.066 27.227 1.00 12.61 0.172 C +ATOM 8459 C ALA A1036 19.267 3.835 26.688 1.00 12.59 0.240 C +ATOM 8460 O ALA A1036 19.756 2.716 26.827 1.00 12.13 -0.271 OA +ATOM 8461 CB ALA A1036 19.450 5.441 28.601 1.00 13.15 0.042 C +ATOM 8462 H ALA A1036 19.359 7.010 26.664 1.00 12.22 0.163 HD +ATOM 8463 N THR A1037 18.118 4.044 26.028 1.00 12.13 -0.344 N +ATOM 8464 CA THR A1037 17.323 2.985 25.409 1.00 13.69 0.205 C +ATOM 8465 C THR A1037 17.856 2.605 24.012 1.00 12.41 0.243 C +ATOM 8466 O THR A1037 17.620 1.480 23.576 1.00 12.06 -0.271 OA +ATOM 8467 CB THR A1037 15.858 3.463 25.332 1.00 14.71 0.146 C +ATOM 8468 CG2 THR A1037 14.927 2.479 24.611 1.00 17.57 0.042 C +ATOM 8469 OG1 THR A1037 15.390 3.541 26.662 1.00 20.03 -0.393 OA +ATOM 8470 H THR A1037 17.753 4.985 25.980 1.00 12.13 0.163 HD +ATOM 8471 HG1 THR A1037 14.627 4.105 26.671 1.00 20.03 0.210 HD +ATOM 8472 N GLN A1038 18.630 3.472 23.334 1.00 10.71 -0.346 N +ATOM 8473 CA GLN A1038 19.374 3.117 22.118 1.00 9.31 0.177 C +ATOM 8474 C GLN A1038 20.572 2.212 22.455 1.00 9.65 0.241 C +ATOM 8475 O GLN A1038 20.885 1.302 21.689 1.00 10.89 -0.271 OA +ATOM 8476 CB GLN A1038 19.907 4.393 21.444 1.00 9.45 0.044 C +ATOM 8477 CG GLN A1038 18.809 5.233 20.766 1.00 9.15 0.105 C +ATOM 8478 CD GLN A1038 19.305 6.608 20.317 1.00 11.49 0.215 C +ATOM 8479 NE2 GLN A1038 18.433 7.379 19.668 1.00 11.45 -0.370 N +ATOM 8480 OE1 GLN A1038 20.456 6.973 20.544 1.00 12.04 -0.274 OA +ATOM 8481 H GLN A1038 18.782 4.391 23.727 1.00 10.71 0.163 HD +ATOM 8482 1HE2 GLN A1038 17.497 7.045 19.478 1.00 11.45 0.159 HD +ATOM 8483 2HE2 GLN A1038 18.720 8.300 19.357 1.00 11.45 0.159 HD +ATOM 8484 N LEU A1039 21.201 2.427 23.623 1.00 9.37 -0.346 N +ATOM 8485 CA LEU A1039 22.285 1.609 24.169 1.00 10.74 0.177 C +ATOM 8486 C LEU A1039 21.808 0.228 24.671 1.00 11.00 0.241 C +ATOM 8487 O LEU A1039 22.655 -0.628 24.922 1.00 11.22 -0.271 OA +ATOM 8488 CB LEU A1039 22.973 2.392 25.311 1.00 10.58 0.038 C +ATOM 8489 CG LEU A1039 23.813 3.598 24.830 1.00 13.91 -0.020 C +ATOM 8490 CD1 LEU A1039 23.981 4.638 25.948 1.00 14.61 0.009 C +ATOM 8491 CD2 LEU A1039 25.185 3.168 24.286 1.00 15.78 0.009 C +ATOM 8492 H LEU A1039 20.889 3.204 24.191 1.00 9.37 0.163 HD +ATOM 8493 N CYS A1040 20.483 -0.017 24.759 1.00 11.59 -0.345 N +ATOM 8494 CA CYS A1040 19.875 -1.317 25.080 1.00 12.08 0.185 C +ATOM 8495 C CYS A1040 19.722 -2.234 23.853 1.00 11.98 0.241 C +ATOM 8496 O CYS A1040 19.298 -3.376 24.025 1.00 10.66 -0.271 OA +ATOM 8497 CB CYS A1040 18.452 -1.120 25.640 1.00 12.12 0.105 C +ATOM 8498 SG CYS A1040 18.507 -0.372 27.274 1.00 15.96 -0.180 SA +ATOM 8499 H CYS A1040 19.852 0.739 24.536 1.00 11.59 0.163 HD +ATOM 8500 HG CYS A1040 19.140 0.749 26.909 1.00 15.96 0.101 HD +ATOM 8501 N GLU A1041 20.069 -1.770 22.635 1.00 12.88 -0.346 N +ATOM 8502 CA GLU A1041 20.089 -2.551 21.391 1.00 14.14 0.177 C +ATOM 8503 C GLU A1041 20.708 -3.970 21.470 1.00 13.24 0.243 C +ATOM 8504 O GLU A1041 20.073 -4.897 20.970 1.00 12.62 -0.271 OA +ATOM 8505 CB GLU A1041 20.584 -1.710 20.190 1.00 14.99 0.045 C +ATOM 8506 CG GLU A1041 20.718 -2.524 18.883 1.00 16.77 0.116 C +ATOM 8507 CD GLU A1041 20.930 -1.683 17.628 1.00 18.86 0.172 C +ATOM 8508 OE1 GLU A1041 21.583 -0.622 17.727 1.00 24.12 -0.648 OA +ATOM 8509 OE2 GLU A1041 20.458 -2.142 16.565 1.00 22.32 -0.648 OA +ATOM 8510 H GLU A1041 20.396 -0.816 22.571 1.00 12.88 0.163 HD +ATOM 8511 N PRO A1042 21.898 -4.179 22.084 1.00 12.75 -0.337 N +ATOM 8512 CA PRO A1042 22.531 -5.503 22.236 1.00 12.97 0.179 C +ATOM 8513 C PRO A1042 21.675 -6.559 22.956 1.00 12.88 0.241 C +ATOM 8514 O PRO A1042 21.774 -7.741 22.634 1.00 14.21 -0.271 OA +ATOM 8515 CB PRO A1042 23.793 -5.260 23.072 1.00 13.66 0.037 C +ATOM 8516 CG PRO A1042 24.094 -3.787 22.915 1.00 15.06 0.022 C +ATOM 8517 CD PRO A1042 22.777 -3.123 22.580 1.00 14.00 0.127 C +ATOM 8518 N PHE A1043 20.834 -6.127 23.909 1.00 11.88 -0.346 N +ATOM 8519 CA PHE A1043 19.961 -6.982 24.709 1.00 11.72 0.180 C +ATOM 8520 C PHE A1043 18.682 -7.399 23.966 1.00 11.06 0.241 C +ATOM 8521 O PHE A1043 17.939 -8.210 24.508 1.00 10.00 -0.271 OA +ATOM 8522 CB PHE A1043 19.538 -6.220 25.983 1.00 12.95 0.073 C +ATOM 8523 CG PHE A1043 20.648 -6.015 26.993 1.00 13.82 -0.056 A +ATOM 8524 CD1 PHE A1043 20.983 -7.055 27.884 1.00 17.38 0.007 A +ATOM 8525 CD2 PHE A1043 21.338 -4.787 27.057 1.00 14.78 0.007 A +ATOM 8526 CE1 PHE A1043 21.996 -6.866 28.842 1.00 18.44 0.001 A +ATOM 8527 CE2 PHE A1043 22.353 -4.599 28.016 1.00 18.13 0.001 A +ATOM 8528 CZ PHE A1043 22.678 -5.637 28.909 1.00 17.23 0.000 A +ATOM 8529 H PHE A1043 20.796 -5.135 24.098 1.00 11.88 0.163 HD +ATOM 8530 N LYS A1044 18.408 -6.891 22.749 1.00 10.98 -0.346 N +ATOM 8531 CA LYS A1044 17.205 -7.214 21.972 1.00 12.01 0.176 C +ATOM 8532 C LYS A1044 17.101 -8.697 21.569 1.00 13.14 0.241 C +ATOM 8533 O LYS A1044 15.988 -9.195 21.411 1.00 13.20 -0.271 OA +ATOM 8534 CB LYS A1044 17.126 -6.329 20.716 1.00 12.27 0.035 C +ATOM 8535 CG LYS A1044 16.838 -4.857 21.048 1.00 12.87 0.004 C +ATOM 8536 CD LYS A1044 16.816 -3.956 19.805 1.00 14.12 0.027 C +ATOM 8537 CE LYS A1044 15.477 -3.981 19.060 1.00 15.91 0.229 C +ATOM 8538 NZ LYS A1044 15.529 -3.099 17.885 1.00 14.37 -0.079 N +ATOM 8539 H LYS A1044 19.057 -6.228 22.347 1.00 10.98 0.163 HD +ATOM 8540 HZ1 LYS A1044 15.853 -2.180 18.152 1.00 14.37 0.274 HD +ATOM 8541 HZ2 LYS A1044 16.158 -3.497 17.198 1.00 14.37 0.274 HD +ATOM 8542 HZ3 LYS A1044 14.599 -3.015 17.485 1.00 14.37 0.274 HD +ATOM 8543 N LEU A1045 18.242 -9.395 21.438 1.00 12.94 -0.346 N +ATOM 8544 CA LEU A1045 18.351 -10.809 21.075 1.00 13.19 0.177 C +ATOM 8545 C LEU A1045 18.544 -11.742 22.288 1.00 12.11 0.241 C +ATOM 8546 O LEU A1045 18.930 -12.892 22.089 1.00 12.42 -0.271 OA +ATOM 8547 CB LEU A1045 19.515 -10.990 20.063 1.00 12.85 0.038 C +ATOM 8548 CG LEU A1045 20.887 -10.330 20.373 1.00 13.09 -0.020 C +ATOM 8549 CD1 LEU A1045 21.533 -10.823 21.677 1.00 14.34 0.009 C +ATOM 8550 CD2 LEU A1045 21.873 -10.547 19.213 1.00 14.73 0.009 C +ATOM 8551 H LEU A1045 19.110 -8.905 21.603 1.00 12.94 0.163 HD +ATOM 8552 N TRP A1046 18.324 -11.269 23.531 1.00 11.26 -0.346 N +ATOM 8553 CA TRP A1046 18.667 -11.967 24.781 1.00 11.22 0.181 C +ATOM 8554 C TRP A1046 18.170 -13.416 24.894 1.00 11.99 0.241 C +ATOM 8555 O TRP A1046 18.936 -14.287 25.295 1.00 12.10 -0.271 OA +ATOM 8556 CB TRP A1046 18.220 -11.151 26.011 1.00 12.02 0.075 C +ATOM 8557 CG TRP A1046 16.743 -11.134 26.290 1.00 11.67 -0.028 A +ATOM 8558 CD1 TRP A1046 15.826 -10.337 25.699 1.00 11.81 0.096 A +ATOM 8559 CD2 TRP A1046 15.992 -12.004 27.188 1.00 13.16 -0.002 A +ATOM 8560 CE2 TRP A1046 14.609 -11.660 27.102 1.00 12.79 0.042 A +ATOM 8561 CE3 TRP A1046 16.335 -13.078 28.045 1.00 15.42 0.014 A +ATOM 8562 NE1 TRP A1046 14.576 -10.621 26.201 1.00 12.12 -0.365 N +ATOM 8563 CZ2 TRP A1046 13.616 -12.340 27.825 1.00 13.49 0.030 A +ATOM 8564 CZ3 TRP A1046 15.347 -13.781 28.759 1.00 14.42 0.001 A +ATOM 8565 CH2 TRP A1046 13.991 -13.416 28.651 1.00 13.45 0.002 A +ATOM 8566 H TRP A1046 18.000 -10.316 23.620 1.00 11.26 0.163 HD +ATOM 8567 HE1 TRP A1046 13.743 -10.110 25.934 1.00 12.12 0.165 HD +ATOM 8568 N ASN A1047 16.900 -13.659 24.528 1.00 11.56 -0.346 N +ATOM 8569 CA ASN A1047 16.220 -14.951 24.626 1.00 12.03 0.185 C +ATOM 8570 C ASN A1047 16.503 -15.870 23.421 1.00 11.70 0.241 C +ATOM 8571 O ASN A1047 16.046 -17.013 23.422 1.00 12.88 -0.271 OA +ATOM 8572 CB ASN A1047 14.688 -14.741 24.805 1.00 12.90 0.137 C +ATOM 8573 CG ASN A1047 13.929 -14.031 23.673 1.00 14.58 0.217 C +ATOM 8574 ND2 ASN A1047 12.629 -14.305 23.556 1.00 12.61 -0.370 N +ATOM 8575 OD1 ASN A1047 14.499 -13.267 22.901 1.00 14.72 -0.274 OA +ATOM 8576 H ASN A1047 16.348 -12.882 24.192 1.00 11.56 0.163 HD +ATOM 8577 1HD2 ASN A1047 12.189 -14.929 24.221 1.00 12.61 0.159 HD +ATOM 8578 2HD2 ASN A1047 12.080 -13.875 22.822 1.00 12.61 0.159 HD +ATOM 8579 N LYS A1048 17.267 -15.397 22.419 1.00 10.97 -0.346 N +ATOM 8580 CA LYS A1048 17.715 -16.191 21.277 1.00 11.85 0.176 C +ATOM 8581 C LYS A1048 19.083 -16.856 21.521 1.00 12.36 0.241 C +ATOM 8582 O LYS A1048 19.451 -17.751 20.761 1.00 13.38 -0.271 OA +ATOM 8583 CB LYS A1048 17.888 -15.297 20.032 1.00 12.50 0.035 C +ATOM 8584 CG LYS A1048 16.593 -14.695 19.476 1.00 15.07 0.004 C +ATOM 8585 CD LYS A1048 16.830 -14.031 18.109 1.00 22.33 0.027 C +ATOM 8586 CE LYS A1048 15.550 -13.586 17.394 1.00 26.32 0.229 C +ATOM 8587 NZ LYS A1048 15.042 -12.306 17.906 1.00 29.31 -0.079 N +ATOM 8588 H LYS A1048 17.614 -14.449 22.485 1.00 10.97 0.163 HD +ATOM 8589 HZ1 LYS A1048 14.840 -12.379 18.897 1.00 29.31 0.274 HD +ATOM 8590 HZ2 LYS A1048 15.730 -11.583 17.762 1.00 29.31 0.274 HD +ATOM 8591 HZ3 LYS A1048 14.197 -12.065 17.406 1.00 29.31 0.274 HD +ATOM 8592 N LEU A1049 19.831 -16.438 22.558 1.00 12.95 -0.346 N +ATOM 8593 CA LEU A1049 21.150 -16.968 22.912 1.00 12.96 0.177 C +ATOM 8594 C LEU A1049 21.018 -18.267 23.725 1.00 13.78 0.241 C +ATOM 8595 O LEU A1049 19.916 -18.647 24.121 1.00 14.11 -0.271 OA +ATOM 8596 CB LEU A1049 21.892 -15.926 23.784 1.00 13.25 0.038 C +ATOM 8597 CG LEU A1049 22.111 -14.549 23.120 1.00 15.13 -0.020 C +ATOM 8598 CD1 LEU A1049 22.748 -13.566 24.114 1.00 15.07 0.009 C +ATOM 8599 CD2 LEU A1049 22.973 -14.647 21.854 1.00 15.88 0.009 C +ATOM 8600 H LEU A1049 19.456 -15.710 23.150 1.00 12.95 0.163 HD +ATOM 8601 N ASP A1050 22.147 -18.953 23.982 1.00 13.91 -0.346 N +ATOM 8602 CA ASP A1050 22.248 -20.142 24.839 1.00 15.64 0.186 C +ATOM 8603 C ASP A1050 21.796 -19.800 26.270 1.00 15.97 0.241 C +ATOM 8604 O ASP A1050 21.987 -18.668 26.713 1.00 15.62 -0.271 OA +ATOM 8605 CB ASP A1050 23.695 -20.692 24.807 1.00 16.18 0.147 C +ATOM 8606 CG ASP A1050 24.753 -19.777 25.432 1.00 17.73 0.175 C +ATOM 8607 OD1 ASP A1050 25.272 -18.927 24.684 1.00 17.28 -0.648 OA +ATOM 8608 OD2 ASP A1050 25.013 -19.928 26.646 1.00 19.89 -0.648 OA +ATOM 8609 H ASP A1050 23.016 -18.595 23.604 1.00 13.91 0.163 HD +ATOM 8610 N THR A1051 21.174 -20.765 26.966 1.00 16.67 -0.344 N +ATOM 8611 CA THR A1051 20.525 -20.631 28.278 1.00 18.00 0.205 C +ATOM 8612 C THR A1051 21.326 -19.897 29.374 1.00 18.03 0.243 C +ATOM 8613 O THR A1051 20.719 -19.193 30.182 1.00 19.19 -0.271 OA +ATOM 8614 CB THR A1051 19.986 -22.000 28.756 1.00 19.05 0.146 C +ATOM 8615 CG2 THR A1051 18.915 -22.599 27.832 1.00 21.07 0.042 C +ATOM 8616 OG1 THR A1051 21.041 -22.926 28.942 1.00 19.95 -0.393 OA +ATOM 8617 H THR A1051 21.097 -21.672 26.526 1.00 16.67 0.163 HD +ATOM 8618 HG1 THR A1051 20.689 -23.707 29.341 1.00 19.95 0.210 HD +ATOM 8619 N LYS A1052 22.668 -20.011 29.383 1.00 17.64 -0.346 N +ATOM 8620 CA LYS A1052 23.537 -19.283 30.307 1.00 17.71 0.176 C +ATOM 8621 C LYS A1052 23.630 -17.791 29.940 1.00 16.57 0.241 C +ATOM 8622 O LYS A1052 23.503 -16.951 30.827 1.00 16.50 -0.271 OA +ATOM 8623 CB LYS A1052 24.943 -19.928 30.328 1.00 19.09 0.035 C +ATOM 8624 CG LYS A1052 25.949 -19.280 31.306 1.00 22.53 0.004 C +ATOM 8625 CD LYS A1052 25.418 -19.152 32.747 1.00 28.73 0.027 C +ATOM 8626 CE LYS A1052 26.434 -18.541 33.716 1.00 30.76 0.229 C +ATOM 8627 NZ LYS A1052 25.809 -18.232 35.013 1.00 35.88 -0.079 N +ATOM 8628 H LYS A1052 23.105 -20.607 28.693 1.00 17.64 0.163 HD +ATOM 8629 HZ1 LYS A1052 25.466 -19.081 35.438 1.00 35.88 0.274 HD +ATOM 8630 HZ2 LYS A1052 26.491 -17.803 35.622 1.00 35.88 0.274 HD +ATOM 8631 HZ3 LYS A1052 25.034 -17.594 34.879 1.00 35.88 0.274 HD +ATOM 8632 N ARG A1053 23.795 -17.450 28.651 1.00 14.80 -0.346 N +ATOM 8633 CA ARG A1053 23.803 -16.068 28.163 1.00 14.32 0.176 C +ATOM 8634 C ARG A1053 22.417 -15.401 28.175 1.00 13.90 0.241 C +ATOM 8635 O ARG A1053 22.365 -14.172 28.243 1.00 13.80 -0.271 OA +ATOM 8636 CB ARG A1053 24.372 -16.021 26.736 1.00 14.01 0.036 C +ATOM 8637 CG ARG A1053 25.876 -16.305 26.708 1.00 14.39 0.023 C +ATOM 8638 CD ARG A1053 26.509 -16.047 25.338 1.00 15.49 0.138 C +ATOM 8639 NE ARG A1053 27.960 -16.204 25.427 1.00 14.29 -0.227 N +ATOM 8640 CZ ARG A1053 28.664 -17.305 25.128 1.00 15.86 0.665 C +ATOM 8641 NH1 ARG A1053 28.073 -18.441 24.731 1.00 14.50 -0.235 N +ATOM 8642 NH2 ARG A1053 29.994 -17.245 25.239 1.00 14.46 -0.235 N +ATOM 8643 H ARG A1053 23.873 -18.188 27.963 1.00 14.80 0.163 HD +ATOM 8644 HE ARG A1053 28.482 -15.382 25.704 1.00 14.29 0.177 HD +ATOM 8645 HH11 ARG A1053 27.057 -18.505 24.689 1.00 14.50 0.174 HD +ATOM 8646 HH12 ARG A1053 28.619 -19.268 24.525 1.00 14.50 0.174 HD +ATOM 8647 HH21 ARG A1053 30.432 -16.372 25.503 1.00 14.46 0.174 HD +ATOM 8648 HH22 ARG A1053 30.584 -18.031 24.976 1.00 14.46 0.174 HD +ATOM 8649 N GLN A1054 21.312 -16.176 28.189 1.00 13.70 -0.346 N +ATOM 8650 CA GLN A1054 19.962 -15.656 28.428 1.00 15.05 0.177 C +ATOM 8651 C GLN A1054 19.833 -15.191 29.886 1.00 14.95 0.241 C +ATOM 8652 O GLN A1054 19.310 -14.106 30.125 1.00 15.90 -0.271 OA +ATOM 8653 CB GLN A1054 18.863 -16.723 28.215 1.00 15.33 0.044 C +ATOM 8654 CG GLN A1054 18.778 -17.368 26.817 1.00 16.64 0.105 C +ATOM 8655 CD GLN A1054 17.478 -18.143 26.543 1.00 16.96 0.215 C +ATOM 8656 NE2 GLN A1054 16.467 -18.021 27.404 1.00 20.82 -0.370 N +ATOM 8657 OE1 GLN A1054 17.384 -18.864 25.554 1.00 21.71 -0.274 OA +ATOM 8658 H GLN A1054 21.427 -17.177 28.098 1.00 13.70 0.163 HD +ATOM 8659 1HE2 GLN A1054 16.566 -17.429 28.215 1.00 20.82 0.159 HD +ATOM 8660 2HE2 GLN A1054 15.585 -18.480 27.225 1.00 20.82 0.159 HD +ATOM 8661 N GLU A1055 20.327 -16.004 30.841 1.00 15.06 -0.346 N +ATOM 8662 CA GLU A1055 20.308 -15.746 32.282 1.00 14.71 0.177 C +ATOM 8663 C GLU A1055 21.163 -14.524 32.648 1.00 15.01 0.241 C +ATOM 8664 O GLU A1055 20.703 -13.681 33.414 1.00 15.35 -0.271 OA +ATOM 8665 CB GLU A1055 20.761 -17.025 33.034 1.00 0.00 0.045 C +ATOM 8666 CG GLU A1055 20.632 -16.999 34.579 1.00 0.00 0.116 C +ATOM 8667 CD GLU A1055 21.754 -16.270 35.331 1.00 0.00 0.172 C +ATOM 8668 OE1 GLU A1055 22.936 -16.582 35.059 1.00 0.00 -0.648 OA +ATOM 8669 OE2 GLU A1055 21.409 -15.412 36.173 1.00 0.00 -0.648 OA +ATOM 8670 H GLU A1055 20.746 -16.875 30.544 1.00 15.06 0.163 HD +ATOM 8671 N LEU A1056 22.374 -14.412 32.074 1.00 14.08 -0.346 N +ATOM 8672 CA LEU A1056 23.305 -13.307 32.305 1.00 13.59 0.177 C +ATOM 8673 C LEU A1056 22.772 -11.973 31.749 1.00 13.71 0.241 C +ATOM 8674 O LEU A1056 22.904 -10.952 32.421 1.00 14.29 -0.271 OA +ATOM 8675 CB LEU A1056 24.665 -13.621 31.647 1.00 13.79 0.038 C +ATOM 8676 CG LEU A1056 25.480 -14.766 32.279 1.00 14.88 -0.020 C +ATOM 8677 CD1 LEU A1056 26.576 -15.225 31.305 1.00 15.71 0.009 C +ATOM 8678 CD2 LEU A1056 26.095 -14.371 33.630 1.00 19.77 0.009 C +ATOM 8679 H LEU A1056 22.683 -15.160 31.468 1.00 14.08 0.163 HD +ATOM 8680 N MET A1057 22.133 -11.972 30.563 1.00 12.95 -0.346 N +ATOM 8681 CA MET A1057 21.513 -10.775 29.988 1.00 13.81 0.177 C +ATOM 8682 C MET A1057 20.229 -10.376 30.734 1.00 13.33 0.241 C +ATOM 8683 O MET A1057 20.006 -9.185 30.941 1.00 12.84 -0.271 OA +ATOM 8684 CB MET A1057 21.163 -10.998 28.500 1.00 13.73 0.045 C +ATOM 8685 CG MET A1057 22.319 -10.677 27.542 1.00 15.06 0.076 C +ATOM 8686 SD MET A1057 21.769 -10.398 25.838 1.00 15.83 -0.173 SA +ATOM 8687 CE MET A1057 23.311 -9.864 25.066 1.00 16.82 0.089 C +ATOM 8688 H MET A1057 22.048 -12.841 30.053 1.00 12.95 0.163 HD +ATOM 8689 N LEU A1058 19.405 -11.355 31.157 1.00 13.77 -0.346 N +ATOM 8690 CA LEU A1058 18.165 -11.137 31.903 1.00 13.60 0.185 C +ATOM 8691 C LEU A1058 18.433 -10.596 33.314 1.00 14.66 0.340 C +ATOM 8692 O LEU A1058 17.697 -9.720 33.759 1.00 15.32 -0.263 OA +ATOM 8693 CB LEU A1058 17.351 -12.449 31.962 1.00 13.54 0.038 C +ATOM 8694 CG LEU A1058 15.972 -12.368 32.662 1.00 14.89 -0.020 C +ATOM 8695 CD1 LEU A1058 15.028 -11.350 31.996 1.00 17.32 0.009 C +ATOM 8696 CD2 LEU A1058 15.315 -13.754 32.716 1.00 14.91 0.009 C +ATOM 8697 H LEU A1058 19.649 -12.313 30.943 1.00 13.77 0.163 HD +ATOM 8698 N ASN A1059 19.505 -11.057 33.983 1.00 15.03 0.019 N +ATOM 8699 CA AASN A1059 19.970 -10.559 35.278 0.50 15.59 0.291 C +ATOM 8700 CA BASN A1059 20.051 -10.569 35.186 0.50 15.93 0.291 C +ATOM 8701 C ASN A1059 20.359 -9.074 35.203 1.00 15.40 0.205 C +ATOM 8702 O ASN A1059 19.974 -8.315 36.090 1.00 16.36 -0.279 OA +ATOM 8703 CB AASN A1059 21.151 -11.434 35.757 0.50 15.92 0.145 C +ATOM 8704 CB BASN A1059 21.248 -11.367 35.715 0.50 16.38 0.145 C +ATOM 8705 CG AASN A1059 21.726 -11.003 37.112 0.50 16.45 0.217 C +ATOM 8706 CG BASN A1059 20.857 -12.737 36.252 0.50 19.24 0.217 C +ATOM 8707 ND2AASN A1059 21.043 -11.345 38.205 0.50 19.85 -0.370 N +ATOM 8708 ND2BASN A1059 21.856 -13.513 36.656 0.50 19.61 -0.370 N +ATOM 8709 OD1AASN A1059 22.782 -10.375 37.167 0.50 20.10 -0.274 OA +ATOM 8710 OD1BASN A1059 19.678 -13.095 36.305 0.50 21.16 -0.274 OA +ATOM 8711 H ASN A1059 20.050 -11.794 33.555 1.00 15.03 0.292 HD +ATOM 8712 1HD2AASN A1059 20.183 -11.868 38.119 0.50 19.85 0.159 HD +ATOM 8713 1HD2BASN A1059 22.808 -13.182 36.596 0.50 0.00 0.159 HD +ATOM 8714 2HD2AASN A1059 21.388 -11.077 39.115 0.50 19.85 0.159 HD +ATOM 8715 2HD2BASN A1059 21.663 -14.434 37.023 0.50 0.00 0.159 HD +ATOM 8716 N GLU A1060 21.071 -8.658 34.143 1.00 14.31 -0.351 N +ATOM 8717 CA GLU A1060 21.488 -7.272 33.946 1.00 14.26 0.176 C +ATOM 8718 C GLU A1060 20.317 -6.352 33.567 1.00 13.63 0.241 C +ATOM 8719 O GLU A1060 20.319 -5.196 33.982 1.00 13.86 -0.271 OA +ATOM 8720 CB GLU A1060 22.571 -7.218 32.847 1.00 14.17 0.045 C +ATOM 8721 CG GLU A1060 23.929 -7.816 33.277 1.00 16.42 0.116 C +ATOM 8722 CD GLU A1060 24.583 -7.128 34.479 1.00 19.96 0.172 C +ATOM 8723 OE1 GLU A1060 24.221 -5.968 34.768 1.00 19.94 -0.648 OA +ATOM 8724 OE2 GLU A1060 25.448 -7.775 35.104 1.00 22.78 -0.648 OA +ATOM 8725 H GLU A1060 21.357 -9.336 33.451 1.00 14.31 0.163 HD +ATOM 8726 N MET A1061 19.295 -6.858 32.857 1.00 12.60 -0.346 N +ATOM 8727 CA MET A1061 18.075 -6.109 32.547 1.00 13.27 0.177 C +ATOM 8728 C MET A1061 17.144 -5.979 33.762 1.00 13.36 0.241 C +ATOM 8729 O MET A1061 16.481 -4.953 33.898 1.00 13.56 -0.271 OA +ATOM 8730 CB MET A1061 17.309 -6.805 31.413 1.00 12.69 0.045 C +ATOM 8731 CG MET A1061 17.948 -6.578 30.036 1.00 12.05 0.076 C +ATOM 8732 SD MET A1061 16.891 -7.080 28.658 1.00 14.80 -0.173 SA +ATOM 8733 CE MET A1061 16.920 -8.872 28.869 1.00 13.45 0.089 C +ATOM 8734 H MET A1061 19.354 -7.816 32.540 1.00 12.60 0.163 HD +ATOM 8735 N ASN A1062 17.124 -6.978 34.660 1.00 13.84 -0.346 N +ATOM 8736 CA ASN A1062 16.381 -6.944 35.921 1.00 14.88 0.185 C +ATOM 8737 C ASN A1062 17.076 -6.054 36.962 1.00 16.06 0.241 C +ATOM 8738 O ASN A1062 16.382 -5.440 37.769 1.00 16.64 -0.271 OA +ATOM 8739 CB ASN A1062 16.234 -8.372 36.504 1.00 16.17 0.137 C +ATOM 8740 CG ASN A1062 15.309 -9.315 35.721 1.00 18.90 0.217 C +ATOM 8741 ND2 ASN A1062 14.578 -8.811 34.727 1.00 20.74 -0.370 N +ATOM 8742 OD1 ASN A1062 15.252 -10.506 36.016 1.00 23.43 -0.274 OA +ATOM 8743 H ASN A1062 17.677 -7.804 34.470 1.00 13.84 0.163 HD +ATOM 8744 1HD2 ASN A1062 14.657 -7.833 34.490 1.00 20.74 0.159 HD +ATOM 8745 2HD2 ASN A1062 13.958 -9.409 34.201 1.00 20.74 0.159 HD +ATOM 8746 N THR A1063 18.414 -5.929 36.907 1.00 15.42 -0.344 N +ATOM 8747 CA THR A1063 19.206 -5.011 37.731 1.00 16.64 0.205 C +ATOM 8748 C THR A1063 18.975 -3.562 37.264 1.00 15.40 0.243 C +ATOM 8749 O THR A1063 18.831 -2.678 38.106 1.00 15.55 -0.271 OA +ATOM 8750 CB THR A1063 20.709 -5.380 37.624 1.00 17.05 0.146 C +ATOM 8751 CG2 THR A1063 21.657 -4.432 38.382 1.00 18.76 0.042 C +ATOM 8752 OG1 THR A1063 20.906 -6.657 38.199 1.00 19.03 -0.393 OA +ATOM 8753 H THR A1063 18.912 -6.476 36.218 1.00 15.42 0.163 HD +ATOM 8754 HG1 THR A1063 20.460 -7.298 37.660 1.00 19.03 0.210 HD +ATOM 8755 N MET A1064 18.882 -3.325 35.941 1.00 14.90 -0.346 N +ATOM 8756 CA MET A1064 18.531 -2.031 35.356 1.00 14.83 0.177 C +ATOM 8757 C MET A1064 17.096 -1.610 35.724 1.00 15.75 0.241 C +ATOM 8758 O MET A1064 16.903 -0.474 36.148 1.00 15.13 -0.271 OA +ATOM 8759 CB MET A1064 18.707 -2.071 33.823 1.00 14.28 0.045 C +ATOM 8760 CG MET A1064 20.170 -1.913 33.381 1.00 14.20 0.076 C +ATOM 8761 SD MET A1064 20.421 -1.642 31.608 1.00 14.96 -0.173 SA +ATOM 8762 CE MET A1064 19.882 -3.212 30.893 1.00 14.47 0.089 C +ATOM 8763 H MET A1064 19.034 -4.095 35.303 1.00 14.90 0.163 HD +ATOM 8764 N LEU A1065 16.115 -2.527 35.642 1.00 15.57 -0.346 N +ATOM 8765 CA LEU A1065 14.716 -2.312 36.039 1.00 16.72 0.177 C +ATOM 8766 C LEU A1065 14.519 -2.020 37.539 1.00 18.95 0.241 C +ATOM 8767 O LEU A1065 13.529 -1.385 37.900 1.00 20.19 -0.271 OA +ATOM 8768 CB LEU A1065 13.873 -3.551 35.654 1.00 16.49 0.038 C +ATOM 8769 CG LEU A1065 13.436 -3.597 34.176 1.00 16.44 -0.020 C +ATOM 8770 CD1 LEU A1065 12.963 -5.008 33.792 1.00 17.66 0.009 C +ATOM 8771 CD2 LEU A1065 12.332 -2.568 33.879 1.00 16.05 0.009 C +ATOM 8772 H LEU A1065 16.350 -3.440 35.276 1.00 15.57 0.163 HD +ATOM 8773 N GLN A1066 15.454 -2.459 38.399 1.00 20.64 -0.346 N +ATOM 8774 CA GLN A1066 15.440 -2.253 39.847 1.00 23.90 0.177 C +ATOM 8775 C GLN A1066 16.114 -0.939 40.281 1.00 23.61 0.241 C +ATOM 8776 O GLN A1066 16.096 -0.646 41.476 1.00 24.01 -0.271 OA +ATOM 8777 CB GLN A1066 16.197 -3.422 40.512 1.00 24.20 0.044 C +ATOM 8778 CG GLN A1066 15.316 -4.679 40.661 1.00 28.38 0.105 C +ATOM 8779 CD GLN A1066 16.062 -5.936 41.122 1.00 28.73 0.215 C +ATOM 8780 NE2 GLN A1066 17.362 -5.846 41.417 1.00 38.02 -0.370 N +ATOM 8781 OE1 GLN A1066 15.459 -7.003 41.202 1.00 36.57 -0.274 OA +ATOM 8782 H GLN A1066 16.238 -2.972 38.019 1.00 20.64 0.163 HD +ATOM 8783 1HE2 GLN A1066 17.838 -4.959 41.335 1.00 38.02 0.159 HD +ATOM 8784 2HE2 GLN A1066 17.862 -6.663 41.736 1.00 38.02 0.159 HD +ATOM 8785 N GLU A1067 16.671 -0.133 39.356 1.00 22.80 -0.346 N +ATOM 8786 CA GLU A1067 17.266 1.174 39.655 1.00 23.41 0.177 C +ATOM 8787 C GLU A1067 16.144 2.157 40.051 1.00 23.22 0.243 C +ATOM 8788 O GLU A1067 15.257 2.380 39.227 1.00 23.09 -0.271 OA +ATOM 8789 CB GLU A1067 17.984 1.711 38.394 1.00 22.89 0.045 C +ATOM 8790 CG GLU A1067 19.318 1.005 38.079 1.00 25.87 0.116 C +ATOM 8791 CD GLU A1067 20.406 1.208 39.139 1.00 30.47 0.172 C +ATOM 8792 OE1 GLU A1067 20.381 2.260 39.816 1.00 31.62 -0.648 OA +ATOM 8793 OE2 GLU A1067 21.251 0.293 39.250 1.00 33.78 -0.648 OA +ATOM 8794 H GLU A1067 16.654 -0.423 38.388 1.00 22.80 0.163 HD +ATOM 8795 N PRO A1068 16.137 2.719 41.287 1.00 24.54 -0.337 N +ATOM 8796 CA PRO A1068 15.080 3.620 41.791 1.00 25.19 0.179 C +ATOM 8797 C PRO A1068 14.740 4.827 40.898 1.00 25.02 0.241 C +ATOM 8798 O PRO A1068 13.584 5.247 40.856 1.00 25.83 -0.271 OA +ATOM 8799 CB PRO A1068 15.599 4.135 43.142 1.00 26.33 0.037 C +ATOM 8800 CG PRO A1068 16.576 3.080 43.620 1.00 26.58 0.022 C +ATOM 8801 CD PRO A1068 17.111 2.432 42.347 1.00 24.65 0.127 C +ATOM 8802 N GLN A1069 15.749 5.373 40.200 1.00 24.47 -0.346 N +ATOM 8803 CA GLN A1069 15.668 6.591 39.397 1.00 25.09 0.177 C +ATOM 8804 C GLN A1069 15.552 6.284 37.891 1.00 23.86 0.241 C +ATOM 8805 O GLN A1069 15.841 7.163 37.077 1.00 23.59 -0.271 OA +ATOM 8806 CB GLN A1069 16.942 7.437 39.663 1.00 25.77 0.044 C +ATOM 8807 CG GLN A1069 17.216 7.758 41.150 1.00 28.99 0.105 C +ATOM 8808 CD GLN A1069 16.060 8.485 41.846 1.00 31.52 0.215 C +ATOM 8809 NE2 GLN A1069 15.786 8.135 43.103 1.00 31.64 -0.370 N +ATOM 8810 OE1 GLN A1069 15.411 9.346 41.255 1.00 33.38 -0.274 OA +ATOM 8811 H GLN A1069 16.663 4.950 40.283 1.00 24.47 0.163 HD +ATOM 8812 1HE2 GLN A1069 16.346 7.436 43.578 1.00 31.64 0.159 HD +ATOM 8813 2HE2 GLN A1069 15.025 8.588 43.588 1.00 31.64 0.159 HD +ATOM 8814 N ILE A1070 15.122 5.064 37.507 1.00 22.40 -0.346 N +ATOM 8815 CA ILE A1070 14.852 4.673 36.119 1.00 20.57 0.180 C +ATOM 8816 C ILE A1070 13.751 5.553 35.497 1.00 20.37 0.241 C +ATOM 8817 O ILE A1070 12.704 5.778 36.108 1.00 20.99 -0.271 OA +ATOM 8818 CB ILE A1070 14.521 3.154 36.014 1.00 20.61 0.013 C +ATOM 8819 CG1 ILE A1070 14.507 2.696 34.534 1.00 19.58 0.002 C +ATOM 8820 CG2 ILE A1070 13.216 2.752 36.737 1.00 22.43 0.012 C +ATOM 8821 CD1 ILE A1070 14.413 1.184 34.316 1.00 18.17 0.005 C +ATOM 8822 H ILE A1070 14.912 4.384 38.224 1.00 22.40 0.163 HD +ATOM 8823 N SER A1071 14.003 6.034 34.272 1.00 19.45 -0.344 N +ATOM 8824 CA SER A1071 13.060 6.802 33.465 1.00 19.90 0.200 C +ATOM 8825 C SER A1071 11.887 5.925 32.990 1.00 20.70 0.243 C +ATOM 8826 O SER A1071 12.016 4.705 32.891 1.00 18.92 -0.271 OA +ATOM 8827 CB SER A1071 13.821 7.381 32.254 1.00 19.43 0.199 C +ATOM 8828 OG SER A1071 14.145 6.394 31.296 1.00 18.40 -0.398 OA +ATOM 8829 H SER A1071 14.900 5.820 33.852 1.00 19.45 0.163 HD +ATOM 8830 HG SER A1071 15.034 6.095 31.458 1.00 18.40 0.209 HD +ATOM 8831 N ASN A1072 10.754 6.556 32.643 1.00 22.41 -0.345 N +ATOM 8832 CA ASN A1072 9.584 5.878 32.068 1.00 23.54 0.185 C +ATOM 8833 C ASN A1072 9.867 5.317 30.661 1.00 22.33 0.241 C +ATOM 8834 O ASN A1072 9.250 4.329 30.264 1.00 21.88 -0.271 OA +ATOM 8835 CB ASN A1072 8.386 6.851 31.979 1.00 25.77 0.137 C +ATOM 8836 CG ASN A1072 7.926 7.392 33.336 1.00 28.87 0.217 C +ATOM 8837 ND2 ASN A1072 7.679 8.701 33.419 1.00 34.10 -0.370 N +ATOM 8838 OD1 ASN A1072 7.817 6.645 34.306 1.00 34.06 -0.274 OA +ATOM 8839 H ASN A1072 10.715 7.564 32.735 1.00 22.41 0.163 HD +ATOM 8840 1HD2 ASN A1072 7.795 9.292 32.610 1.00 34.10 0.159 HD +ATOM 8841 2HD2 ASN A1072 7.389 9.097 34.301 1.00 34.10 0.159 HD +ATOM 8842 N ASN A1073 10.831 5.924 29.949 1.00 20.91 -0.346 N +ATOM 8843 CA ASN A1073 11.383 5.520 28.661 1.00 20.62 0.185 C +ATOM 8844 C ASN A1073 12.069 4.144 28.789 1.00 17.73 0.241 C +ATOM 8845 O ASN A1073 11.634 3.188 28.149 1.00 18.08 -0.271 OA +ATOM 8846 CB ASN A1073 12.379 6.629 28.244 1.00 22.08 0.137 C +ATOM 8847 CG ASN A1073 12.940 6.522 26.827 1.00 27.97 0.217 C +ATOM 8848 ND2 ASN A1073 12.878 7.594 26.044 1.00 32.35 -0.370 N +ATOM 8849 OD1 ASN A1073 13.447 5.480 26.437 1.00 33.46 -0.274 OA +ATOM 8850 H ASN A1073 11.279 6.715 30.388 1.00 20.91 0.163 HD +ATOM 8851 1HD2 ASN A1073 12.477 8.469 26.365 1.00 32.35 0.159 HD +ATOM 8852 2HD2 ASN A1073 13.258 7.540 25.111 1.00 32.35 0.159 HD +ATOM 8853 N LEU A1074 13.121 4.042 29.620 1.00 15.87 -0.346 N +ATOM 8854 CA LEU A1074 13.919 2.829 29.792 1.00 13.66 0.177 C +ATOM 8855 C LEU A1074 13.136 1.715 30.503 1.00 14.53 0.241 C +ATOM 8856 O LEU A1074 13.312 0.548 30.158 1.00 14.72 -0.271 OA +ATOM 8857 CB LEU A1074 15.207 3.179 30.574 1.00 13.81 0.038 C +ATOM 8858 CG LEU A1074 16.198 2.012 30.784 1.00 12.76 -0.020 C +ATOM 8859 CD1 LEU A1074 16.691 1.421 29.460 1.00 14.07 0.009 C +ATOM 8860 CD2 LEU A1074 17.402 2.432 31.631 1.00 12.67 0.009 C +ATOM 8861 H LEU A1074 13.415 4.865 30.131 1.00 15.87 0.163 HD +ATOM 8862 N LYS A1075 12.251 2.067 31.454 1.00 15.03 -0.346 N +ATOM 8863 CA LYS A1075 11.412 1.119 32.181 1.00 15.51 0.176 C +ATOM 8864 C LYS A1075 10.401 0.428 31.255 1.00 15.30 0.241 C +ATOM 8865 O LYS A1075 10.327 -0.796 31.288 1.00 16.48 -0.271 OA +ATOM 8866 CB LYS A1075 10.702 1.832 33.348 1.00 15.71 0.035 C +ATOM 8867 CG LYS A1075 9.905 0.874 34.248 1.00 17.85 0.004 C +ATOM 8868 CD LYS A1075 9.320 1.564 35.482 1.00 18.36 0.027 C +ATOM 8869 CE LYS A1075 8.450 0.611 36.310 0.00 9.81 0.229 C +ATOM 8870 NZ LYS A1075 7.856 1.297 37.467 0.00 10.53 -0.079 N +ATOM 8871 H LYS A1075 12.162 3.047 31.691 1.00 15.03 0.163 HD +ATOM 8872 HZ1 LYS A1075 7.247 2.034 37.133 1.00 10.53 0.274 HD +ATOM 8873 HZ2 LYS A1075 7.322 0.638 38.016 1.00 10.53 0.274 HD +ATOM 8874 HZ3 LYS A1075 8.586 1.708 38.032 1.00 10.53 0.274 HD +ATOM 8875 N GLU A1076 9.668 1.178 30.408 1.00 16.16 -0.346 N +ATOM 8876 CA GLU A1076 8.729 0.619 29.426 1.00 17.47 0.177 C +ATOM 8877 C GLU A1076 9.428 -0.301 28.412 1.00 16.48 0.241 C +ATOM 8878 O GLU A1076 8.918 -1.384 28.127 1.00 16.06 -0.271 OA +ATOM 8879 CB GLU A1076 7.940 1.749 28.722 1.00 19.03 0.045 C +ATOM 8880 CG GLU A1076 6.988 1.290 27.581 1.00 25.43 0.116 C +ATOM 8881 CD GLU A1076 7.304 1.915 26.219 1.00 32.01 0.172 C +ATOM 8882 OE1 GLU A1076 8.483 1.833 25.811 1.00 35.97 -0.648 OA +ATOM 8883 OE2 GLU A1076 6.358 2.440 25.591 1.00 31.71 -0.648 OA +ATOM 8884 H GLU A1076 9.794 2.181 30.414 1.00 16.16 0.163 HD +ATOM 8885 N TYR A1077 10.603 0.110 27.910 1.00 14.69 -0.346 N +ATOM 8886 CA TYR A1077 11.392 -0.648 26.947 1.00 14.55 0.180 C +ATOM 8887 C TYR A1077 11.873 -1.993 27.515 1.00 13.53 0.241 C +ATOM 8888 O TYR A1077 11.703 -3.018 26.857 1.00 13.30 -0.271 OA +ATOM 8889 CB TYR A1077 12.590 0.202 26.494 1.00 14.92 0.073 C +ATOM 8890 CG TYR A1077 13.340 -0.407 25.327 1.00 15.27 -0.056 A +ATOM 8891 CD1 TYR A1077 12.890 -0.172 24.012 1.00 16.77 0.010 A +ATOM 8892 CD2 TYR A1077 14.473 -1.219 25.550 1.00 17.02 0.010 A +ATOM 8893 CE1 TYR A1077 13.575 -0.738 22.923 1.00 17.39 0.037 A +ATOM 8894 CE2 TYR A1077 15.147 -1.797 24.460 1.00 16.35 0.037 A +ATOM 8895 CZ TYR A1077 14.704 -1.549 23.148 1.00 17.10 0.065 A +ATOM 8896 OH TYR A1077 15.367 -2.106 22.098 1.00 20.13 -0.361 OA +ATOM 8897 H TYR A1077 10.959 1.011 28.197 1.00 14.69 0.163 HD +ATOM 8898 HH TYR A1077 16.032 -2.719 22.378 1.00 20.13 0.217 HD +ATOM 8899 N LEU A1078 12.444 -1.990 28.732 1.00 12.53 -0.346 N +ATOM 8900 CA LEU A1078 12.968 -3.186 29.383 1.00 12.86 0.177 C +ATOM 8901 C LEU A1078 11.857 -4.106 29.916 1.00 13.49 0.241 C +ATOM 8902 O LEU A1078 12.065 -5.314 29.900 1.00 13.70 -0.271 OA +ATOM 8903 CB LEU A1078 13.907 -2.797 30.542 1.00 13.42 0.038 C +ATOM 8904 CG LEU A1078 15.264 -2.188 30.125 1.00 14.55 -0.020 C +ATOM 8905 CD1 LEU A1078 16.050 -1.771 31.377 1.00 16.23 0.009 C +ATOM 8906 CD2 LEU A1078 16.113 -3.138 29.261 1.00 12.18 0.009 C +ATOM 8907 H LEU A1078 12.549 -1.109 29.219 1.00 12.53 0.163 HD +ATOM 8908 N LEU A1079 10.679 -3.588 30.318 1.00 13.55 -0.346 N +ATOM 8909 CA LEU A1079 9.524 -4.406 30.717 1.00 14.00 0.177 C +ATOM 8910 C LEU A1079 8.930 -5.173 29.524 1.00 14.67 0.241 C +ATOM 8911 O LEU A1079 8.603 -6.349 29.670 1.00 14.76 -0.271 OA +ATOM 8912 CB LEU A1079 8.409 -3.533 31.342 1.00 14.88 0.038 C +ATOM 8913 CG LEU A1079 8.662 -3.050 32.787 1.00 14.84 -0.020 C +ATOM 8914 CD1 LEU A1079 7.614 -1.999 33.183 1.00 16.76 0.009 C +ATOM 8915 CD2 LEU A1079 8.675 -4.193 33.812 1.00 18.17 0.009 C +ATOM 8916 H LEU A1079 10.564 -2.582 30.320 1.00 13.55 0.163 HD +ATOM 8917 N ARG A1080 8.841 -4.538 28.340 1.00 14.33 -0.346 N +ATOM 8918 CA ARG A1080 8.387 -5.179 27.104 1.00 14.70 0.176 C +ATOM 8919 C ARG A1080 9.430 -6.168 26.557 1.00 13.36 0.241 C +ATOM 8920 O ARG A1080 9.045 -7.196 26.003 1.00 13.82 -0.271 OA +ATOM 8921 CB ARG A1080 8.110 -4.111 26.027 1.00 13.48 0.036 C +ATOM 8922 CG ARG A1080 6.868 -3.252 26.318 1.00 16.13 0.023 C +ATOM 8923 CD ARG A1080 6.510 -2.308 25.161 1.00 17.65 0.138 C +ATOM 8924 NE ARG A1080 7.536 -1.273 24.945 1.00 23.56 -0.227 N +ATOM 8925 CZ ARG A1080 8.228 -1.052 23.813 1.00 24.99 0.665 C +ATOM 8926 NH1 ARG A1080 8.106 -1.847 22.743 1.00 24.20 -0.235 N +ATOM 8927 NH2 ARG A1080 9.055 -0.004 23.746 1.00 22.87 -0.235 N +ATOM 8928 H ARG A1080 9.128 -3.570 28.288 1.00 14.33 0.163 HD +ATOM 8929 HE ARG A1080 7.689 -0.641 25.718 1.00 23.56 0.177 HD +ATOM 8930 HH11 ARG A1080 7.479 -2.642 22.755 1.00 24.20 0.174 HD +ATOM 8931 HH12 ARG A1080 8.604 -1.631 21.883 1.00 24.20 0.174 HD +ATOM 8932 HH21 ARG A1080 9.076 0.665 24.513 1.00 22.87 0.174 HD +ATOM 8933 HH22 ARG A1080 9.574 0.186 22.901 1.00 22.87 0.174 HD +ATOM 8934 N LEU A1081 10.733 -5.885 26.733 1.00 12.37 -0.346 N +ATOM 8935 CA LEU A1081 11.821 -6.743 26.274 1.00 11.80 0.177 C +ATOM 8936 C LEU A1081 11.961 -8.012 27.138 1.00 13.04 0.241 C +ATOM 8937 O LEU A1081 12.220 -9.074 26.583 1.00 13.60 -0.271 OA +ATOM 8938 CB LEU A1081 13.134 -5.931 26.261 1.00 11.46 0.038 C +ATOM 8939 CG LEU A1081 14.389 -6.657 25.726 1.00 12.61 -0.020 C +ATOM 8940 CD1 LEU A1081 14.170 -7.354 24.371 1.00 10.73 0.009 C +ATOM 8941 CD2 LEU A1081 15.558 -5.664 25.631 1.00 10.61 0.009 C +ATOM 8942 H LEU A1081 10.982 -5.016 27.186 1.00 12.37 0.163 HD +ATOM 8943 N THR A1082 11.751 -7.937 28.464 1.00 15.01 -0.344 N +ATOM 8944 CA THR A1082 11.836 -9.085 29.377 1.00 16.83 0.205 C +ATOM 8945 C THR A1082 10.499 -9.851 29.527 1.00 19.60 0.243 C +ATOM 8946 O THR A1082 10.462 -10.827 30.275 1.00 20.81 -0.271 OA +ATOM 8947 CB THR A1082 12.313 -8.603 30.772 1.00 16.65 0.146 C +ATOM 8948 CG2 THR A1082 13.726 -7.999 30.775 1.00 18.69 0.042 C +ATOM 8949 OG1 THR A1082 11.385 -7.721 31.376 1.00 16.03 -0.393 OA +ATOM 8950 H THR A1082 11.542 -7.038 28.878 1.00 15.01 0.163 HD +ATOM 8951 HG1 THR A1082 11.541 -7.721 32.310 1.00 16.03 0.210 HD +ATOM 8952 N ASN A1083 9.415 -9.431 28.846 1.00 20.76 -0.345 N +ATOM 8953 CA ASN A1083 8.083 -10.063 28.835 1.00 23.99 0.185 C +ATOM 8954 C ASN A1083 7.321 -9.926 30.168 1.00 27.19 0.241 C +ATOM 8955 O ASN A1083 6.680 -10.879 30.612 1.00 27.93 -0.271 OA +ATOM 8956 CB ASN A1083 8.074 -11.523 28.292 1.00 23.30 0.137 C +ATOM 8957 CG ASN A1083 8.378 -11.649 26.802 1.00 22.95 0.217 C +ATOM 8958 ND2 ASN A1083 7.462 -11.181 25.952 1.00 18.54 -0.370 N +ATOM 8959 OD1 ASN A1083 9.391 -12.230 26.423 1.00 26.37 -0.274 OA +ATOM 8960 H ASN A1083 9.527 -8.610 28.269 1.00 20.76 0.163 HD +ATOM 8961 1HD2 ASN A1083 6.602 -10.774 26.295 1.00 18.54 0.159 HD +ATOM 8962 2HD2 ASN A1083 7.605 -11.288 24.957 1.00 18.54 0.159 HD +ATOM 8963 N LYS A1084 7.395 -8.753 30.815 1.00 29.75 -0.345 N +ATOM 8964 CA LYS A1084 6.591 -8.409 31.987 1.00 33.84 0.185 C +ATOM 8965 C LYS A1084 5.375 -7.582 31.549 1.00 35.46 0.196 C +ATOM 8966 O LYS A1084 5.583 -6.546 30.880 1.00 36.18 -0.646 OA +ATOM 8967 CB LYS A1084 7.433 -7.581 32.978 1.00 34.01 0.036 C +ATOM 8968 CG LYS A1084 8.359 -8.465 33.830 1.00 37.23 0.004 C +ATOM 8969 CD LYS A1084 8.817 -7.811 35.148 1.00 40.75 0.027 C +ATOM 8970 CE LYS A1084 7.720 -7.691 36.219 1.00 43.67 0.229 C +ATOM 8971 NZ LYS A1084 7.277 -9.015 36.689 1.00 44.33 -0.079 N +ATOM 8972 OXT LYS A1084 4.252 -7.999 31.910 1.00 37.77 -0.646 OA +ATOM 8973 H LYS A1084 7.935 -8.004 30.400 1.00 29.75 0.163 HD +ATOM 8974 HZ1 LYS A1084 6.880 -9.530 35.916 1.00 44.33 0.274 HD +ATOM 8975 HZ2 LYS A1084 8.067 -9.523 37.060 1.00 44.33 0.274 HD +ATOM 8976 HZ3 LYS A1084 6.578 -8.904 37.411 1.00 44.33 0.274 HD +TER 8977 LYS A1084 diff --git a/mscreen/screening/AD4Zn.dat b/mscreen/screening/AD4Zn.dat new file mode 100644 index 0000000..923a0be --- /dev/null +++ b/mscreen/screening/AD4Zn.dat @@ -0,0 +1,121 @@ +# $Id: AD4.1_bound.dat,v 1.4 2009/04/15 22:38:29 rhuey Exp $ +# +# AutoDock +# +# Copyright (C) 1989-2007, Garrett M. Morris, David S. Goodsell, Ruth Huey, Arthur J. Olson, +# All Rights Reserved. +# +# AutoDock is a Trade Mark of The Scripps Research Institute. +# +# This program is free software; you can redistribute it and/or +# modify it under the terms of the GNU General Public License +# as published by the Free Software Foundation; either version 2 +# of the License, or (at your option) any later version. +# +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You should have received a copy of the GNU General Public License +# along with this program; if not, write to the Free Software +# Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. + +# AutoDock Linear Free Energy Model Coefficients and Energetic Parameters +# Version 4.1 Bound +# $Revision: 1.4 $ + +# FE_unbound_model is used to specify how the internal energy of the +# ligand should be treated when estimating the free energy of binding, +# and can be set to one of the following strings: +# unbound_same_as_bound, extended, or compact +# unbound_same_as_bound -- this assumes the internal energy of the ligand is the +# same before and after binding. +# extended -- this assumes the internal energy of the ligand is that of an +# extended conformation when unbound. +# compact -- this assumes the internal energy of the ligand is that of a +# compact conformation when unbound. +#FE_unbound_model unbound_same_as_bound + +# AutoDock 4 free energy coefficients with respect to original (AD2) energetic parameters +# This model assumes that the bound and unbound conformations are the same. +# See Table 3 in Huey,Morris,Olson&Goodsell (2007) J Comput Chem 28: 1145-1152. +# +# Free Energy Coefficient +# ------ +FE_coeff_vdW 0.1662 +FE_coeff_hbond 0.1209 +FE_coeff_estat 0.1406 +FE_coeff_desolv 0.1322 +FE_coeff_tors 0.2983 + +# AutoDock 4 Energy Parameters + +# - Atomic solvation volumes and parameters +# - Unweighted vdW and Unweighted H-bond Well Depths +# +# - Atom Types +# - Rii = sum of vdW radii of two like atoms (in Angstrom) +# - epsii = vdW well depth (in Kcal/mol) +# - vol = atomic solvation volume (in Angstrom^3) +# - solpar = atomic solvation parameter +# - Rij_hb = H-bond radius of the heteroatom in contact with a hydrogen (in Angstrom) +# - epsij_hb = well depth of H-bond (in Kcal/mol) +# - hbond = integer indicating type of H-bonding atom (0=no H-bond) +# - rec_index = initialised to -1, but later on holds count of how many of this atom type are in receptor +# - map_index = initialised to -1, but later on holds the index of the AutoGrid map +# - bond_index = used in AutoDock to detect bonds; see "mdist.h", enum {C,N,O,H,XX,P,S} +# +# - To obtain the Rij value for non H-bonding atoms, calculate the +# arithmetic mean of the Rii values for the two atom types. +# Rij = (Rii + Rjj) / 2 +# +# - To obtain the epsij value for non H-bonding atoms, calculate the +# geometric mean of the epsii values for the two atom types. +# epsij = sqrt( epsii * epsjj ) +# +# - Note that the Rij_hb value is non-zero for heteroatoms only, and zero for H atoms; +# to obtain the length of an H-bond, look up Rij_hb for the heteroatom only; +# this is combined with the Rii value for H in the receptor, in AutoGrid. +# For example, the Rij_hb for OA-HD H-bonds will be (1.9 + 1.0) Angstrom, +# and the weighted epsij_hb will be 5.0 kcal/mol * FE_coeff_hbond. +# +# Atom Rii Rij_hb rec_index +# Type epsii solpar epsij_hb map_index +# vol hbond bond_index +# -- ---- ----- ------- -------- --- --- - -- -- -- +atom_par H 2.00 0.020 0.0000 0.00051 0.0 0.0 0 -1 -1 3 # Non H-bonding Hydrogen +atom_par HD 2.00 0.020 0.0000 0.00051 0.0 0.0 2 -1 -1 3 # Donor 1 H-bond Hydrogen +atom_par HS 2.00 0.020 0.0000 0.00051 0.0 0.0 1 -1 -1 3 # Donor S Spherical Hydrogen +atom_par C 4.00 0.150 33.5103 -0.00143 0.0 0.0 0 -1 -1 0 # Non H-bonding Aliphatic Carbon +atom_par A 4.00 0.150 33.5103 -0.00052 0.0 0.0 0 -1 -1 0 # Non H-bonding Aromatic Carbon +atom_par N 3.50 0.160 22.4493 -0.00162 0.0 0.0 0 -1 -1 1 # Non H-bonding Nitrogen +atom_par NA 3.50 0.160 22.4493 -0.00162 1.9 5.0 4 -1 -1 1 # Acceptor 1 H-bond Nitrogen +atom_par NS 3.50 0.160 22.4493 -0.00162 1.9 5.0 3 -1 -1 1 # Acceptor S Spherical Nitrogen +atom_par OA 3.20 0.200 17.1573 -0.00251 1.9 5.0 5 -1 -1 2 # Acceptor 2 H-bonds Oxygen +atom_par OS 3.20 0.200 17.1573 -0.00251 1.9 5.0 3 -1 -1 2 # Acceptor S Spherical Oxygen +atom_par F 3.09 0.080 15.4480 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Fluorine +atom_par Mg 1.30 0.875 1.5600 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Magnesium +atom_par MG 1.30 0.875 1.5600 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Magnesium +atom_par P 4.20 0.200 38.7924 -0.00110 0.0 0.0 0 -1 -1 5 # Non H-bonding Phosphorus +atom_par SA 4.00 0.200 33.5103 -0.00214 2.5 1.0 5 -1 -1 6 # Acceptor 2 H-bonds Sulphur +atom_par S 4.00 0.200 33.5103 -0.00214 0.0 0.0 0 -1 -1 6 # Non H-bonding Sulphur +atom_par Cl 4.09 0.276 35.8235 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Chlorine +atom_par CL 4.09 0.276 35.8235 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Chlorine +atom_par Ca 1.98 0.550 2.7700 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Calcium +atom_par CA 1.98 0.550 2.7700 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Calcium +atom_par Mn 1.30 0.875 2.1400 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Manganese +atom_par MN 1.30 0.875 2.1400 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Manganese +atom_par Fe 1.30 0.010 1.8400 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Iron +atom_par FE 1.30 0.010 1.8400 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Iron +atom_par Zn 1.48 0.550 1.7000 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Zinc +atom_par ZN 1.48 0.550 1.7000 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Zinc +atom_par Br 4.33 0.389 42.5661 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Bromine +atom_par BR 4.33 0.389 42.5661 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Bromine +atom_par I 4.72 0.550 55.0585 -0.00110 0.0 0.0 0 -1 -1 4 # Non H-bonding Iodine +atom_par Z 4.00 0.150 33.5103 -0.00143 0.0 0.0 0 -1 -1 0 # Non H-bonding covalent map +atom_par G 4.00 0.150 33.5103 -0.00143 0.0 0.0 0 -1 -1 0 # Ring closure Glue Aliphatic Carbon # SF +atom_par GA 4.00 0.150 33.5103 -0.00052 0.0 0.0 0 -1 -1 0 # Ring closure Glue Aromatic Carbon # SF +atom_par J 4.00 0.150 33.5103 -0.00143 0.0 0.0 0 -1 -1 0 # Ring closure Glue Aliphatic Carbon # SF +atom_par Q 4.00 0.150 33.5103 -0.00143 0.0 0.0 0 -1 -1 0 # Ring closure Glue Aliphatic Carbon # SF +atom_par TZ 1.00 0.000 0.0000 0.00000 0.0 0.0 0 -1 -1 0 # Tetrahedral Zinc Pseudo Atom diff --git a/mscreen/screening/prepare_autodock.py b/mscreen/screening/prepare_autodock.py new file mode 100644 index 0000000..c653284 --- /dev/null +++ b/mscreen/screening/prepare_autodock.py @@ -0,0 +1,231 @@ + +# -*- coding: utf-8 -*- +""" +Created on Fri Aug 21 17:35:34 2020 + +Prepare ligand from python 3 using the python 2.7 interpreter of ADFRsuite + +@author: emayo +""" +import os, sys, re +from pathlib import Path +from shutil import which + +sys.path.append('autodocktools_prepare_py3k') +sys.path.append('mscreen/autodocktools_prepare_py3k') +from screening.prepare_vina import * +from AutoDockTools.Utilities24.prepare4 import prepare_ligand4, prepare_receptor4, prepare_dpf42, prepare_gpf4 + + + +def prepare_autodock42_parameter_file(receptor_filename, ligand_filename,dpf_filename=None, **kwargs): + """ + This function call the python wrapper in AutodockTools/Utils24/prepare4 for prepare_dpf42.py script. + It prepare the dpf file for autodock4. + """ + + if not dpf_filename: + dpf_filename = receptor_filename.parent / f"{ligand_filename.stem}_{receptor_filename.stem}.dpf" + + receptor_filename = str(receptor_filename) + ligand_filename = str(ligand_filename) + dpf_filename = str(dpf_filename) + + if dpf_filename: + dpf_filename = str(dpf_filename) + prepare_dpf42(receptor_filename=receptor_filename, ligand_filename=ligand_filename,dpf_filename=dpf_filename, **kwargs) + fix_dpf_file(dpf_filename, ligand_filename) + +def fix_dpf_file(dpf_filename,lig): + dpf_filename= Path(dpf_filename) + lig = Path(lig) + with open(dpf_filename,'r') as f: + dpf_lines = f.readlines() + pattern = re.compile('^(\w+)\s(.+?)\s+(.*)') + + parent = str(dpf_filename.parent).replace('\\','/') + lig = str(lig).replace('\\','/') + new_dpf_lines = [] + for line in dpf_lines: + if line.startswith("move "): + line = pattern.sub(rf"\1 {lig} \3", line) + if line.startswith("fld "): + line= pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("map "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("elecmap "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("desolvmap "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + + new_dpf_lines.append(line) + + with open(dpf_filename,'w+') as f: + f.writelines(new_dpf_lines) + return dpf_filename + +def prepare_grid_parameter_file(receptor_filename, ligand_filename,output_gpf_filename, **kwargs): + """ + This function call the python wrapper in AutodockTools/Utils24/prepare4 for prepare_gpf4.py script. + It prepare the gpf file for autogrid4. + Parameters + ---------- + receptor_filename : str, optional + DESCRIPTION. The default is None. + ligand_filename : str, optional + ligand_filename (.pdbq format). The default is None. + list_filename : TYPE, optional + DESCRIPTION. The default is None. + gpf_filename : str, optional + reference_gpf_filename. The default is None. + output_gpf_filename : str, optional + output_gpf_filename. The default is None. + flexres_filename : TYPE, optional + flexres_filename. The default is None. + directory : TYPE, optional + directory of ligands to use to set types. The default is None. + list_parameters_str : list, optional + parameter=newvalue. For example: ["ligand_types='HD,Br,A,C,OA'","ligand_types='HD,Br,A,C,OA'"] or ["gridcenter='2.5,6.5,-7.5'""]. The default is []. + verbose : TYPE, optional + DESCRIPTION. The default is None. + center_on_ligand : TYPE, optional + boolean to center grids on center of ligand. The default is False. + size_box_to_include_ligand : TYPE, optional + boolean to NOT size_box_to_include_ligand. The default is True. + npts_increment : int, optional + increment npts in all 3 dimensions by this integer. The default is 0. + ligand_types_defined : TYPE, optional + DESCRIPTION. The default is False. + verbose : TYPE, optional + print stuff. The default is False. + + Returns + ------- + None. + + """ + receptor_filename = str(receptor_filename) + ligand_filename = str(ligand_filename) + if output_gpf_filename: + output_gpf_filename = str(output_gpf_filename) + prepare_gpf4(receptor_filename=receptor_filename, + ligand_filename=ligand_filename, + output_gpf_filename=output_gpf_filename,**kwargs) + fix_gpf4_file(output_gpf_filename,receptor_filename) + +def fix_gpf4_file(gpf_filename,rec): + gpf_filename= Path(gpf_filename) + rec = Path(rec) + with open(gpf_filename,'r') as f: + gpf_lines = f.readlines() + pattern = re.compile('^(\w+)\s(.+?)\s+(.*)') + + parent = str(gpf_filename.parent).replace('\\','/') + rec = str(rec).replace('\\','/') + new_gpf_lines = [] + for line in gpf_lines: + if line.startswith("receptor "): + line= pattern.sub(rf"\1 {rec} \3", line) + if line.startswith("gridfld "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("map "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("elecmap "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + if line.startswith("dsolvmap "): + line = pattern.sub(rf"\1 {parent}/\2 \3", line) + + new_gpf_lines.append(line) + + with open(gpf_filename,'w+') as f: + f.writelines(new_gpf_lines) + return gpf_filename + + + + + + + +def prepare_receptor_autodock(receptor, outputfilename=None, **kwargs): + if not outputfilename: + outputfilename = Path(receptor.parent / (str(receptor.stem) + '.pdbqt')) + receptor = str(receptor) + try: + prepare_receptor4(receptor,outputfilename=outputfilename, **kwargs) + except: + print(f'fail at receptor {outputfilename.name}') + return None + return outputfilename + +def prepare_ligand_autodock(ligand, outputfilename=None, **kwargs): + if not outputfilename: + outputfilename = Path(ligand.parent / (str(ligand.stem) + '.pdbqt')) + ligand = str(ligand) + + try: + prepare_ligand4(ligand,outputfilename=outputfilename, **kwargs) + except: + print(f'fail at ligand {outputfilename.name}') + return None + return outputfilename + +def get_autodock_env_var(): + AUTOGRID_EXE = Path(which("autogrid4")) + AUTODOCK_EXE = Path(which("autodock4")) + AUTODOCK_HOME = AUTODOCK_EXE.parents[1] + return AUTOGRID_EXE, AUTODOCK_EXE + +def run_autogrid(parameter_filename, log_filename=None): + + command = f"autogrid4 -p {parameter_filename}" + """ + # command = f'"{AUTOGRID_EXE}" -p {parameter_filename}' + windows path has spaces this cause a problem when the executable + is placed on a folder with spaces in its path. one way to solve this is using "" + """ + + if log_filename: + command += f" -l {log_filename}" + os.system(command) + +def run_autodock(parameter_filename, log_filename=None, + keep_original_residue=False, + ignore_header_checking=False): + parameter_filename = str(parameter_filename) + + command = f'autodock4 -p "{parameter_filename}" ' + if log_filename: + log_filename = str(log_filename) + command += f"-l {log_filename} " + if keep_original_residue: + command += "-k " + if ignore_header_checking: + command += "-i " + os.system(command) + +if __name__ == "__main__": + #AutdoDock42 docking test: + from pathlib import Path + ligand = Path("data/ligands/lig_5y19.mol2") + out_lig = Path("data/prepare/prepared_ligands_autodock") / (str(ligand.stem) + '.pdbqt') + receptor = Path("data/receptors/rec_5y19.pdb") + out_rec = Path("data/prepare/prepared_receptors_autodock") / (str(receptor.stem) + '.pdbqt') + + # prepare_ligand_autodock(ligand, outputfilename=out_lig) + # prepare_receptor_autodock(receptor, outputfilename=out_rec) + + outputPath = Path("data/prepare") + output_gpf_filename = outputPath / "test.gpf" + prepare_grid_parameter_file(receptor_filename=out_rec,ligand_filename=out_lig, output_gpf_filename=output_gpf_filename) + run_autogrid(parameter_filename=output_gpf_filename, log_filename=None) + + dpf_filename = outputPath / f"{out_rec.stem}-{out_lig.stem}.dpf" + prepare_autodock42_parameter_file(receptor_filename=out_rec, # abug mix lig_name and rec_name + ligand_filename=out_lig, + dpf_filename=dpf_filename) + # automatically create lig_5y19_rec_5y19.dlg logfile + run_autodock(dpf_filename, log_filename=None, + keep_original_residue=False, + ignore_header_checking=False) + \ No newline at end of file diff --git a/mscreen/screening/prepare_autodockzn.py b/mscreen/screening/prepare_autodockzn.py new file mode 100644 index 0000000..43531bb --- /dev/null +++ b/mscreen/screening/prepare_autodockzn.py @@ -0,0 +1,94 @@ + +# -*- coding: utf-8 -*- +""" +Created on Tue Jul 20 03:31:00 2021 + +AutodockZn preparation routines + +@author: e-mayo +""" + + + +import os, sys, re +from pathlib import Path +from shutil import which + +sys.path.append('autodocktools_prepare_py3k') +sys.path.append('mscreen/autodocktools_prepare_py3k') + +from AutoDockTools.Utilities24.prepare4 import prepare_ligand4, prepare_receptor4, prepare_dpf42, prepare_gpf4 + + +from screening.prepare_autodock import fix_gpf4_file +from screening.prepare_autodock import prepare_autodock42_parameter_file +from screening.prepare_autodock import run_autogrid +from screening.prepare_autodock import run_autodock +from screening.prepare_autodock import prepare_receptor_autodock + +from screening.prepare_gpf4zn import prepare_gpf4zn +from screening.zinc_pseudo import zinc_pseudo + + +def prepare_grid_parameter_file(receptor_filename, ligand_filename,output_gpf_filename, + list_parameters_str=None,**kwargs): + """ + This function call prepare_gpf4zn routine from prepare_gpf4zn.py. + It prepare the gpf file for autogrid4. + + Parameters + ---------- + receptor_filename : str, optional + DESCRIPTION. The default is None. + ligand_filename : str, optional + ligand_filename (.pdbq format). The default is None. + list_filename : TYPE, optional + DESCRIPTION. The default is None. + gpf_filename : str, optional + reference_gpf_filename. The default is None. + output_gpf_filename : str, optional + output_gpf_filename. The default is None. + flexres_filename : TYPE, optional + flexres_filename. The default is None. + directory : TYPE, optional + directory of ligands to use to set types. The default is None. + list_parameters_str : list, optional + parameter=newvalue. For example: ["ligand_types='HD,Br,A,C,OA'","ligand_types='HD,Br,A,C,OA'"] or ["gridcenter='2.5,6.5,-7.5'""]. The default is []. + verbose : TYPE, optional + DESCRIPTION. The default is None. + center_on_ligand : TYPE, optional + boolean to center grids on center of ligand. The default is False. + size_box_to_include_ligand : TYPE, optional + boolean to NOT size_box_to_include_ligand. The default is True. + npts_increment : int, optional + increment npts in all 3 dimensions by this integer. The default is 0. + ligand_types_defined : TYPE, optional + DESCRIPTION. The default is False. + verbose : TYPE, optional + print stuff. The default is False. + + Returns + ------- + None. + + """ + parameter_file_path = Path("screening/AD4Zn.dat") + if not list_parameters_str: + list_parameters_str=[f"parameter_file={parameter_file_path.absolute()}"] + # list_parameters_str=[f'parameter_file="{parameter_file_path}"'] + + prepare_gpf4zn(receptor_filename = receptor_filename, ligand_filename = ligand_filename, output_gpf_filename = output_gpf_filename, list_parameters_str=list_parameters_str, **kwargs) + fix_gpf4_file(output_gpf_filename,receptor_filename) + + + +def prepare_receptor_autodockzn(receptor, outputfilename=None, **kwargs): + if not outputfilename: + outputfilename = Path(receptor.parent / (str(receptor.stem) + '.pdbqt')) + receptor_prep = prepare_receptor_autodock(receptor, + outputfilename=outputfilename, + **kwargs) + # receptor_zn = outputfilename.parent / f"{receptor.stem}_zn.pdbqt" + receptor_zn = zinc_pseudo(receptor_prep, outputfilename) + return receptor_zn + \ No newline at end of file diff --git a/mscreen/screening/prepare_gpf4zn.py b/mscreen/screening/prepare_gpf4zn.py new file mode 100644 index 0000000..fdc4fb3 --- /dev/null +++ b/mscreen/screening/prepare_gpf4zn.py @@ -0,0 +1,327 @@ +#!/usr/bin/env python +# +# +# +# $Header: /opt/cvs/python/packages/share1.5/AutoDockTools/Utilities24/prepare_gpf4.py,v 1.16.2.2 2011/06/14 17:25:12 rhuey Exp $ +# + +import string +import os.path +import glob, sys + +sys.path.append('../autodocktools_prepare_py3k') +sys.path.append('autodocktools_prepare_py3k') +sys.path.append('mscreen/autodocktools_prepare_py3k') + + +from MolKit import Read +from AutoDockTools.GridParameters import GridParameters, grid_parameter_list4 +from AutoDockTools.GridParameters import GridParameter4FileMaker +from AutoDockTools.atomTypeTools import AutoDock4_AtomTyper + + +def usage(): + print("Usage: prepare_gpf4.py -l pdbqt_file -r pdbqt_file ") + print(" -l ligand_filename") + print(" -r receptor_filename") + print() + print("Optional parameters:") + print(" [-i reference_gpf_filename]") + print(" [-o output_gpf_filename]") + print(" [-x flexres_filename]") + print(" [-p parameter=newvalue. For example: -p ligand_types='HD,Br,A,C,OA' or p npts='60,60,66' or gridcenter='2.5,6.5,-7.5']") + print(" [-d directory of ligands to use to set types]") + print(" [-y boolean to center grids on center of ligand]") + print(" [-n boolean to NOT size_box_to_include_ligand]") + print(" [-I increment npts in all 3 dimensions by this integer]") + print(" [-v]") + print() + print("Prepare a grid parameter file (GPF) for AutoDock4.") + print() + print(" The GPF will by default be .gpf. This") + print("may be overridden using the -o flag.") + + + +def prepare_gpf4zn(receptor_filename=None, + ligand_filename = None, + list_filename = None, + gpf_filename = None, + output_gpf_filename = None, + flexres_filename = None, + directory = None, + list_parameters_str = None, + verbose = None, + center_on_ligand = False, + size_box_to_include_ligand = True, + npts_increment = 0, + ligand_types_defined=False): + """ + This function prepare grid parameter file using the AutodockZn parameters. + Parameters + ---------- + receptor_filename : str, optional + DESCRIPTION. The default is None. + ligand_filename : str, optional + ligand_filename (.pdbq format). The default is None. + list_filename : TYPE, optional + DESCRIPTION. The default is None. + gpf_filename : str, optional + reference_gpf_filename. The default is None. + output_gpf_filename : str, optional + output_gpf_filename. The default is None. + flexres_filename : TYPE, optional + flexres_filename. The default is None. + directory : TYPE, optional + directory of ligands to use to set types. The default is None. + list_parameters_str : list, optional + parameter=newvalue. For example: ["ligand_types='HD,Br,A,C,OA'","ligand_types='HD,Br,A,C,OA'"] or ["gridcenter='2.5,6.5,-7.5'""]. The default is []. + verbose : TYPE, optional + DESCRIPTION. The default is None. + center_on_ligand : TYPE, optional + boolean to center grids on center of ligand. The default is False. + size_box_to_include_ligand : TYPE, optional + boolean to NOT size_box_to_include_ligand. The default is True. + npts_increment : int, optional + increment npts in all 3 dimensions by this integer. The default is 0. + ligand_types_defined : TYPE, optional + DESCRIPTION. The default is False. + verbose : TYPE, optional + print stuff. The default is False. + + Returns + ------- + None. + + """ + + + + parameters = [] + + if ligand_filename: + ligand_filename = str(ligand_filename) + if verbose: print('ligand_filename=', ligand_filename) + if receptor_filename: + receptor_filename = str(receptor_filename) + if verbose: print('receptor_filename=', receptor_filename) + if gpf_filename: + if verbose: print('reference_gpf_filename=', gpf_filename) + if flexres_filename: + if verbose: print('flexres_filename=', flexres_filename) + if output_gpf_filename: + if verbose: print('output_gpf_filename=', output_gpf_filename) + if list_parameters_str: + for parameters_str in list_parameters_str: + parameters.append(parameters_str) + if parameters_str.split('=')[0]=="ligand_types": ligand_types_defined = True + if verbose: print('parameters=', parameters) + if directory: + if verbose: print('directory=', directory) + if center_on_ligand: + if verbose: print('set center_on_ligand to ', center_on_ligand) + if not size_box_to_include_ligand: + if verbose: print('set size_box_to_include_ligand to ', size_box_to_include_ligand) + if npts_increment: + npts_increment = int(npts_increment) + if verbose: print('set npts_increment to ', npts_increment) + + + # AutoDock4Zn + # parameters.append('parameter_file=AD4Zn.dat') + + if (not receptor_filename) or (ligand_filename is None and directory is None and ligand_types_defined is False): + print("prepare_gpf4.py: ligand and receptor filenames") + print(" must be specified.") + usage() + sys.exit() + + gpfm = GridParameter4FileMaker(size_box_to_include_ligand=size_box_to_include_ligand,verbose=verbose) + if gpf_filename is not None: + gpfm.read_reference(gpf_filename) + if ligand_filename is not None: + gpfm.set_ligand(ligand_filename) + gpfm.set_receptor(receptor_filename) + if directory is not None: + gpfm.set_types_from_directory(directory) + if flexres_filename is not None: + flexmol = Read(flexres_filename)[0] + flexres_types = flexmol.allAtoms.autodock_element + lig_types = gpfm.gpo['ligand_types']['value'].split() + all_types = lig_types + for t in flexres_types: + if t not in all_types: + all_types.append(t) + all_types_string = all_types[0] + if len(all_types)>1: + for t in all_types[1:]: + all_types_string = all_types_string + " " + t + gpfm.gpo['ligand_types']['value'] = all_types_string + for param_str in parameters: + if param_str.find("parameter_file")>-1: + parameters.append("custom_parameter_file=1") + break + for p in parameters: + key,newvalue = p.split("=") + if key=='gridcenter' and newvalue.find(',')>-1: + newvalue = newvalue.split(',') + _newvalue = '' + newvalue = _newvalue.join(newvalue) + kw = {key:newvalue} + gpfm.set_grid_parameters(*(), **kw) + #gpfm.set_grid_parameters(spacing=1.0) + if center_on_ligand is True: + gpfm.gpo['gridcenterAuto']['value'] = 0 + cenx,ceny,cenz = gpfm.ligand.getCenter() + gpfm.gpo['gridcenter']['value'] = "%.3f %.3f %.3f" %(cenx,ceny,cenz) + if npts_increment: + orig_npts = gpfm.gpo['npts']['value'] #[40,40,40] + if verbose: print("before increment npts=", orig_npts) + for ind in range(3): + gpfm.gpo['npts']['value'][ind] += npts_increment + if verbose: print("after increment npts =", gpfm.gpo['npts']['value']) + gpfm.write_gpf(output_gpf_filename) + + # append AutoDock4Zn potentials + if not output_gpf_filename: + output_gpf_filename = receptor_filename.split('.pdbqt')[0] + '.gpf' + gpf = open(output_gpf_filename, 'a') + gpf.write('nbp_r_eps 0.25 3.8581 12 6 NA TZ\n') + gpf.write('nbp_r_eps 2.1 0.6391 12 6 OA Zn\n') + gpf.write('nbp_r_eps 2.25 1.2617 12 6 SA Zn\n') + gpf.write('nbp_r_eps 1.0 0.0 12 6 HD Zn\n') + gpf.write('nbp_r_eps 2.0 0.001 12 6 NA Zn\n') + gpf.write('nbp_r_eps 2.0 0.0493 12 6 N Zn\n') + gpf.close() + + +if __name__ == '__main__': + import getopt + import sys + + try: + opt_list, args = getopt.getopt(sys.argv[1:], 'vl:r:i:x:o:p:d:ynI:') + except getopt.GetoptError as msg: + print('prepare_gpf4.py: %s' % msg) + usage() + sys.exit(2) + + receptor_filename = ligand_filename = None + list_filename = gpf_filename = gpf_filename = None + output_gpf_filename = None + flexres_filename = None + directory = None + parameters = [] + verbose = None + center_on_ligand = False + size_box_to_include_ligand = True + npts_increment = 0 + ligand_types_defined = False + for o, a in opt_list: + if o in ('-v', '--v'): + verbose = 1 + if o in ('-l', '--l'): + ligand_filename = a + if verbose: print('ligand_filename=', ligand_filename) + if o in ('-r', '--r'): + receptor_filename = a + if verbose: print('receptor_filename=', receptor_filename) + if o in ('-i', '--i'): + gpf_filename = a + if verbose: print('reference_gpf_filename=', gpf_filename) + if o in ('-x', '--x'): + flexres_filename = a + if verbose: print('flexres_filename=', flexres_filename) + if o in ('-o', '--o'): + output_gpf_filename = a + if verbose: print('output_gpf_filename=', output_gpf_filename) + if o in ('-p', '--p'): + parameters.append(a) + if a.split('=')[0]=="ligand_types": ligand_types_defined = True + if verbose: print('parameters=', parameters) + if o in ('-d', '--d'): + directory = a + if verbose: print('directory=', directory) + if o in ('-y', '--y'): + center_on_ligand = True + if verbose: print('set center_on_ligand to ', center_on_ligand) + if o in ('-n', '--n'): + size_box_to_include_ligand = False + if verbose: print('set size_box_to_include_ligand to ', size_box_to_include_ligand) + if o in ('-I', '--I'): + npts_increment = int(a) + if verbose: print('set npts_increment to ', npts_increment) + if o in ('-h', '--'): + usage() + sys.exit() + + # AutoDock4Zn + parameters.append('parameter_file=AD4Zn.dat') + + if (not receptor_filename) or (ligand_filename is None and directory is None and ligand_types_defined is False): + print("prepare_gpf4.py: ligand and receptor filenames") + print(" must be specified.") + usage() + sys.exit() + + gpfm = GridParameter4FileMaker(size_box_to_include_ligand=size_box_to_include_ligand,verbose=verbose) + if gpf_filename is not None: + gpfm.read_reference(gpf_filename) + if ligand_filename is not None: + gpfm.set_ligand(ligand_filename) + gpfm.set_receptor(receptor_filename) + if directory is not None: + gpfm.set_types_from_directory(directory) + if flexres_filename is not None: + flexmol = Read(flexres_filename)[0] + flexres_types = flexmol.allAtoms.autodock_element + lig_types = gpfm.gpo['ligand_types']['value'].split() + all_types = lig_types + for t in flexres_types: + if t not in all_types: + all_types.append(t) + all_types_string = all_types[0] + if len(all_types)>1: + for t in all_types[1:]: + all_types_string = all_types_string + " " + t + gpfm.gpo['ligand_types']['value'] = all_types_string + for param_str in parameters: + if param_str.find("parameter_file")>-1: + parameters.append("custom_parameter_file=1") + break + for p in parameters: + key,newvalue = p.split("=") + if key=='gridcenter' and newvalue.find(',')>-1: + newvalue = newvalue.split(',') + _newvalue = '' + newvalue = _newvalue.join(newvalue) + kw = {key:newvalue} + gpfm.set_grid_parameters(*(), **kw) + #gpfm.set_grid_parameters(spacing=1.0) + if center_on_ligand is True: + gpfm.gpo['gridcenterAuto']['value'] = 0 + cenx,ceny,cenz = gpfm.ligand.getCenter() + gpfm.gpo['gridcenter']['value'] = "%.3f %.3f %.3f" %(cenx,ceny,cenz) + if npts_increment: + orig_npts = gpfm.gpo['npts']['value'] #[40,40,40] + if verbose: print("before increment npts=", orig_npts) + for ind in range(3): + gpfm.gpo['npts']['value'][ind] += npts_increment + if verbose: print("after increment npts =", gpfm.gpo['npts']['value']) + gpfm.write_gpf(output_gpf_filename) + +# append AutoDock4Zn potentials + if not output_gpf_filename: + output_gpf_filename = receptor_filename.split('.pdbqt')[0] + '.gpf' + gpf = open(output_gpf_filename, 'a') + gpf.write('nbp_r_eps 0.25 3.8581 12 6 NA TZ\n') + gpf.write('nbp_r_eps 2.1 0.6391 12 6 OA Zn\n') + gpf.write('nbp_r_eps 2.25 1.2617 12 6 SA Zn\n') + gpf.write('nbp_r_eps 1.0 0.0 12 6 HD Zn\n') + gpf.write('nbp_r_eps 2.0 0.001 12 6 NA Zn\n') + gpf.write('nbp_r_eps 2.0 0.0493 12 6 N Zn\n') + gpf.close() + + +#prepare_gpf4.py -l 1ebg_lig.pdbqt -r 1ebg_rec.pdbqt -p spacing=0.4 -p ligand_types="HD,Br,A,C,OA" -p npts="60,60,60" -i ref.gpf -o testing.gpf + diff --git a/mscreen/screening/run_autodockzn.py b/mscreen/screening/run_autodockzn.py new file mode 100644 index 0000000..4731b82 --- /dev/null +++ b/mscreen/screening/run_autodockzn.py @@ -0,0 +1,66 @@ +import os, sys, re +from pathlib import Path +from shutil import which + + +sys.path.append('autodocktools_prepare_py3k') +sys.path.append('mscreen/autodocktools_prepare_py3k') +from screening.prepare_vina import * +from AutoDockTools.Utilities24.prepare4 import prepare_ligand4, prepare_receptor4, prepare_dpf42, prepare_gpf4 +from screening.prepare_autodock import * +from screening.zinc_pseudo import zinc_pseudo +from prepare_gpf4zn import prepare_gpf4zn + + +rec = Path("rec_5y1k.pdb") +lig = Path("lig_5y1k.mol2") + +lig_prep = lig.parent / f"{lig.stem}.pdbqt" +rec_prep = rec.parent / f"{rec.stem}.pdbqt" +rec_zn = rec.parent / f"{rec.stem}_zn.pdbqt" +# prepare_receptor4(rec) +# prepare_ligand4(lig) +zinc_pseudo(rec_prep,rec_zn) + + +output_gpf_filename = rec.parent / f"{rec.stem}-{lig.stem}.gpf" + +prepare_gpf4zn(ligand_filename=lig_prep, + receptor_filename=rec_zn, + output_gpf_filename=output_gpf_filename, + list_parameters_str=["parameter_file=AD4Zn.dat"]) + +def run_autogrid(parameter_filename, log_filename=None): + + command = f"autogrid4 -p {parameter_filename}" + """ + # command = f'"{AUTOGRID_EXE}" -p {parameter_filename}' + windows path has spaces this cause a problem when the executable + is placed on a folder with spaces in its path. one way to solve this is using "" + """ + + if log_filename: + command += f" -l {log_filename}" + os.system(command) + +run_autogrid(output_gpf_filename, log_filename=None) + +def run_autodock(parameter_filename, log_filename=None, + keep_original_residue=False, + ignore_header_checking=False): + parameter_filename = str(parameter_filename) + + command = f'autodock4 -p "{parameter_filename}" ' + if log_filename: + log_filename = str(log_filename) + command += f"-l {log_filename} " + if keep_original_residue: + command += "-k " + if ignore_header_checking: + command += "-i " + os.system(command) + +prepare_autodock42_parameter_file(rec_zn, lig_prep) +run_autodock("lig_5y1k_rec_5y1k_zn.dpf") +# python prepare_gpf4zn.py -l lig_5y1k.pdbqt -r rec_5y1k_TZ.pdbqt -o rec_5y1k_TZ.gpf –p parameter_file=AD4Zn.dat +# autogrid4 -p rec_5y1k_TZ.gpf diff --git a/mscreen/screening/zinc_pseudo.py b/mscreen/screening/zinc_pseudo.py new file mode 100644 index 0000000..b0f7def --- /dev/null +++ b/mscreen/screening/zinc_pseudo.py @@ -0,0 +1,630 @@ +#!/usr/bin/env python + +import math +from copy import deepcopy +import sys + +def dist(a,b): + return math.sqrt(sum([(a[i]-b[i])**2 for i in range(min(len(a),len(b)))])) + +def angle(a,b,c): + """Calculate the angle between three points. First point in the middle""" + d12 = dist(a, b) + d13 = dist(a, c) + d23 = dist(b, c) + #round. To avoid things like 1.000000001 + angle = math.acos(round((d12**2 + d13**2 - d23**2)/(2*d12*d13),7)) + return angle + +def angled(a,b,c): + return angle(a,b,c)*180/math.pi + +def dihedral(a,b,c,d): + """ Calculate dihedral considering a in the beggining""" + v1 = [b[i] - a[i] for i in range(3)] + v2 = [c[i] - b[i] for i in range(3)] + v3 = [d[i] - c[i] for i in range(3)] + temp = [dist((0,0,0),v2) * v1[i] for i in range(3)] + y = dotProd(temp ,crossProd(v2,v3)) + x = dotProd(crossProd(v1,v2),crossProd(v2,v3)) + rad = math.atan2(y,x) + return rad*(180/math.pi) + +def dotProd(a,b): + N = min(len(a),len(b)) + return sum([a[i] * b[i] for i in range(N)]) + +def crossProd(a,b): + """Pretty self-explanatory, this function bakes cookies""" + normal_vect = [ + a[1]*b[2] - a[2]*b[1], + a[2]*b[0] - a[0]*b[2], + a[0]*b[1] - a[1]*b[0]] + return normal_vect + +def rawVec(a,b): + N = min(len(a),len(b)) + return [b[i]-a[i] for i in range(N)] + +class PDBQT(): + def __init__(self, line): + self._parse_common(line) # used here (PDB) and in PDBQT + self._parse_specific(line) # differs in PDBQT + + def getline(self): + txt = self._print_common() # no \n; PDB + PDBQT + txt += self._print_specific() # differs in PDBQT + return txt + + def dist(self, a): + return dist(self.getcoords(), a.getcoords()) + + def angle(self, a, b): + return angled(self.getcoords(), a.getcoords(), b.getcoords()) + + def getcoords(self): + return (self.x, self.y, self.z) + + def setcoords(self, coords): + self.x, self.y, self.z = coords + # blanks: [11:12], [20:21], [27:30], [66:76](pdb) or [66:68](pdbqt) + + def _parse_common(self, line): + """Common to PDB and PDBQT formats""" + self.keyword = line [ 0: 6] # ATOM or HETATM + self.serial = int(line [ 6:11]) # atom id + # [11:12] + self.name = line [12:16] # atom name + self.altLoc = line [16:17] # Alternate location + self.resName = line [17:20] # Residue name + # [20:21] + self.chain = line [21:22] # chain + self.resNum = int(line [22:26]) # Residue number + self.icode = line [26:27] # ??? + # [27:30] + self.x = float(line[30:38]) # X + self.y = float(line[38:46]) # Y + self.z = float(line[46:54]) # Z + self.occupancy = float(line[54:60]) # Occupancy + self.bfact = float(line[60:66]) # Temperature factor + + def _parse_specific(self, line): + """ PDBQT characters [68:79] """ + self.charge = float(line[68:76]) # Charge + self.atype = line[77:79] # Atom type + self.atype = self.atype.strip().upper() + self.atomnr = self.atype_to_atomnr(self.atype) + + def _print_common(self): + """ Characters [0:68]""" + linestr = '' + linestr += '%6s' % (self.keyword) + linestr += '%5d' % (self.serial) + linestr += ' ' + linestr += '%4s' % (self.name) + linestr += '%1s' % (self.altLoc) + linestr += '%3s' % (self.resName) + linestr += ' ' + linestr += '%1s' % (self.chain) + linestr += '%4d' % (self.resNum) + linestr += '%1s' % (self.icode) + linestr += ' ' * 3 + linestr += '%8.3f' % (self.x) + linestr += '%8.3f' % (self.y) + linestr += '%8.3f' % (self.z) + linestr += '%6.2f' % (self.occupancy) + linestr += '%6.2f' % (self.bfact) + return linestr + + def _print_specific(self): + """ PDBQT characters [68:79] """ + linestr = ' ' * 2 # [66:68] + linestr += '%8.3f' % (self.charge) # [68:76] + linestr += ' ' * 1 # [76:77] + linestr += '%2s' % (self.atype) # [77:79] + linestr += '\n' + return linestr + + + def dist(self, other): + s = [(a-b)**2 for (a, b) in zip(self.getcoords(), other.getcoords())] + return math.sqrt(sum(s)) + + def isbound(self, other_atom, cut_off_percent = .5): + """ Depends on atomic number """ + threshold = cut_off_percent * ( + .5 * self.atomnr_vdw(self.atomnr) + + .5 * self.atomnr_vdw(other_atom.atomnr)) + is_bound = self.dist(other_atom) < threshold + return is_bound + + def atomnr_vdw(self, atomnr): + D = {1:2.0, 6:4.0, 7:3.5, 8:3.2, 9:3.1, 12:1.3, 15:4.2, 16:4.0, 17:4.1, + 20:2.0, 25:1.3, 26:1.3, 30:1.5, 35:4.3, 53:4.7} + return D[atomnr] + + def atype_to_atomnr(self, atype): + D = {'H':1, 'HD':1, 'HS':1, 'C':6, 'A':6, 'N':7, 'NA':7, 'NS':7, + 'OA':8,'OS':8, 'F':9, 'MG':12, 'S':16, 'SA':16, 'CL':17, + 'CA':20, 'MN':25, 'FE':26, 'ZN':30, 'BR':35, 'I':53, 'G':6, + 'J':6, 'P':15, 'Z':6, 'GA':6, 'Q':6, 'TZ':-1} + try: + return D[atype.strip().upper()] + except: + sys.stderr.write( + 'unexpected atom type: %s (not in standard forcefield)\n' % atype) + return -1 + +def load_pdbqt(filename): + """Creates a list of PDBQT atom objects""" + atoms_list = [] + max_id = 0 + num_tz = 0 + non_atom_text = {} + f = open(filename) + counter = 0 + for line in f: + if line.startswith('ATOM ') or line.startswith('HETATM'): + atom = PDBQT(line) + if atom.atype == 'TZ': + num_tz += 1 + else: + counter += 1 + if atom.atype.upper() == 'ZN': + # set zinc charge to zero + atom.charge = 0.0 + atoms_list.append(atom) + max_id = max(max_id, atom.serial) + else: + if counter not in non_atom_text: + non_atom_text[counter] = [] + non_atom_text[counter].append(line) + f.close() + if counter in non_atom_text: # text after all atoms + non_atom_text['last'] = non_atom_text.pop(counter) + return atoms_list, num_tz, max_id, non_atom_text + +def bruteNearbyAtoms(atomsList, atype = 'ZN', cutOff = 4.5): + """Find atoms close to given atype in pdb/pdbqt""" + metalsList = [a for a in atomsList if a.atype.upper() == atype] + allNearbyLists = [] + for metal in metalsList: + bht_indx = [] + bht_dist = [] + for (i, atom) in enumerate(atomsList): + if atom.dist(metal) < cutOff: + bht_indx.append(i) + bht_dist.append(atom.dist(metal)) + idx = [i[0] for i in sorted(enumerate(bht_dist), + key = lambda x:x[1])] + nearbyAtoms = [] + for i in idx: + nearbyAtoms.append(atomsList[bht_indx[i]]) + allNearbyLists.append(nearbyAtoms) + return allNearbyLists + +class znShell(): + """Process closest atoms to get coordination sphere + Init with parameters, and call PROCESS to the current init +""" + def __init__(self, ZnAtom, cutOffDist = 2.5, carboxyExp = 0.5): + self.zn = ZnAtom + self.c = cutOffDist + self.e = carboxyExp + self.lig = [] + self.rec = [] + + def buildShell(self, atoms): + """start the analysis process""" + # Connectivity stuff + connect, n_conn = self._getBonds(atoms) + + # Find carboxy + carboxyIndx = self._getCarboxyOxyIndx(atoms, connect, n_conn) + Os = [(atoms[o], atoms[O])for i,o,O in carboxyIndx] # Oxygen atoms + atoms = self._rmCarboxy(atoms, carboxyIndx) # remove carboxy + connect, n_conn = self._getBonds(atoms) # re-do connect + + # Remove 1-3 connections and invalid elements + reach3 = self._build13(connect) # carboxyls disconnected + atoms = self._selectBinders(atoms, reach3) + + # Finally add carboxy pseudos + n = len(atoms) # n atoms before carboxy + atoms += self._avgCarboxy(Os) # append pseudos + atoms = self._rm_too_far(atoms) # rm if dist > self.c + coop_indx = [n + i for i in range(len(atoms) - n)] # indx of coo + coop_indx.reverse() + + return atoms, Os, coop_indx + + def set_carboxyExp(self, e): + self.e = e + [self.rec.pop(i) for i in self.recOmask] + [self.lig.pop(i) for i in self.ligOmask] + r = len(self.rec) + l = len(self.lig) + self.rec += self._avgCarboxy(self.recO) + self.lig += self._avgCarboxy(self.ligO) + self.rec = self._rm_too_far(self.rec) + self.lig = self._rm_too_far(self.lig) + self.recOmask = [r + i for i in range(len(self.rec) - r)] + self.ligOmask = [l + i for i in range(len(self.lig) - l)] + self.recOmask.reverse() + self.ligOmask.reverse() + + def proc_rec(self, nearAtoms): + self.start_rec = nearAtoms # copy object + self.rec, self.recO, self.recOmask = self.buildShell(nearAtoms) + + + def proc_lig(self, nearAtoms): + self.start_lig = nearAtoms # copy object + self.lig, self.ligO, self.ligOmask = self.buildShell(nearAtoms) + + def _filter_NOS(self, atoms): + valid = [7, 8, 16] + to_pop = [i for i, a in enumerate(atoms) if a.atomnr not in valid] + to_pop.reverse() + [atoms.pop(i) for i in to_pop] + return atoms + + + def _getBonds(self, atoms): + n = len(atoms) + n_conn = [0 for i in range(n)] # connections by atom + connect = [] + for i in range(n): + for j in range(i+1,n): + if atoms[i].isbound(atoms[j]): + connect.append((i,j)) + n_conn[i] += 1 + n_conn[j] += 1 + return (connect, n_conn) + + def _getCarboxyOxyIndx(self,atoms,connect,n_conn): + + # Find C=O (forcing n_conn 1 for O should eliminate hydroxyls) + co = [] + for i,j in connect: + if (atoms[i].atype in ['O','OA'] and + atoms[j].atype in ['C','A'] and n_conn[i] == 1): + co.append((j,i)) + if (atoms[j].atype in ['O','OA'] and + atoms[i].atype in ['C','A'] and n_conn[j] == 1): + co.append((i,j)) + # Finally find carboxyl + coo = [] + for i in range(len(co)): + for j in range(i+1,len(co)): + if co[i][0] == co[j][0]: + twoOxygens = (co[i][1], co[j][1]) + coo.append((co[i][0], min(twoOxygens), max(twoOxygens))) + return coo + + def _rmCarboxy(self, nearAtoms, indxPairs): + indx2rm = [] + for c,i,j in indxPairs: + [indx2rm.append(x) for x in (c,i,j)] + indx2rm = sorted(indx2rm) + indx2rm.reverse() + for i in indx2rm: + nearAtoms.pop(i) + return nearAtoms + + def _avgCarboxy(self, oxys): + avgs = [] + if self.e < 0: + out = [] + for oxypair in oxys: + out.append(oxypair[0]) + out.append(oxypair[1]) + return out + for oxypair in oxys: + A = deepcopy(oxypair[0]) + A.x, A.y, A.z = self.avgCarboxyInner( + oxypair[0].getcoords(), + self.zn.getcoords(), + oxypair[1].getcoords()) + A.name = 'AVG' + A.atype = 'OC' + avgs.append(A) + return avgs + + def avgCarboxyInner(self, o1, zn, o2): + """Find a pseudo point that is representative of the two Oxygen atoms + with a dist based approach. This will be used to calculate the + angle between the carboxylate and other coordinating atoms""" + d1 = dist(o1,zn) + d2 = dist(o2,zn) + oo = dist(o1,o2) + ratio = ((d2-d1)/oo)**self.e # 0 to 1, 1 beign o2 more distant from zn + weight = (1-ratio)/2 # if ratio==0 w12 should be half way between 01-o2 + v12 = rawVec(o1,o2) + w12 = [v12[i]*weight for i in range(3)] + return tuple([o1[i]+w12[i] for i in range(3)]) + + def _build13(self, connect): + # Build 1-3 indx pairs + connect13 = [] + for i,j in connect: + for x,y in connect: + if j == x: + connect13.append((min(i,y), max(i,y))) + if j == y: + connect13.append((min(i,x), max(i,x))) + if i == x: + connect13.append((min(j,y), max(j,y))) + if i == y: + connect13.append((min(j,x), max(j,x))) + # Prune + connect13clean = [] + for i,j in connect13: + if i != j: + pair = (i,j) + if pair not in connect13clean: + connect13clean.append(pair) + connect13 = connect13clean + + # Build an All connections list to delete faster + # This contains, for each atom, the indices of the + # 1-2 and 1-3 connected atoms. + # Then, if an atom is chosen to be bound (carbons/hydrogens wont) + # the connected atoms will be removed. + # This is robust for the cases a C would be closer then a + # 1-2 connected NA - although the C has a lower index (is closer) + # that fact does not remove the NA, which is the actual binder + reach3 = {} + for i,j in connect+connect13: + if i in reach3: + reach3[i].append(j) + else: + reach3[i] = [j] + if j in reach3: + reach3[j].append(i) + else: + reach3[j] = [i] + #print '***', reach3 + return reach3 + + def _rm_too_far(self, atoms): + # Wrap me ------ remove far away... + too_far = [] + for i,a in enumerate(atoms): + if a.dist(self.zn) > self.c: + too_far.append(i) + too_far.reverse() + for i in too_far: + atoms.pop(i) + return atoms + + def _selectBinders(self, nearAtoms, reach3): + """This function here is pretty cool. + It goes up atom-index by atom-index, + starting with the closest atoms to Zn, + (they are sorted by distances), and if it is a + valid zinc binder, like NA, it removes the + 1-2 and 1-3 bound atoms for the list. + The remaining atoms are the binders.""" + ValidAtoms = ['O','OA','NA','N','S','SA','MG','MN','ZN','CA','FE','CU'] + remove = [] + for i,atom in enumerate(nearAtoms): + invalid = (atom.atype not in ValidAtoms) + too_far = (atom.dist(self.zn) > self.c) + not_removed = (i not in remove) + connected = (i in reach3) # reach3 has no lonely atoms + #print i+1, atom.dist(self.zn),invalid, too_far, not_removed, connected + if invalid or too_far: + remove.append(i) + elif not_removed and connected: + [remove.append(j) for j in reach3[i] if j not in remove] + # new atoms list with leftovers form remove + binderAtoms = [atom for i,atom in enumerate(nearAtoms) + if i not in remove] + return binderAtoms + + def tetrahedral_pseudo(self, d = 2.0): + n = len(self.rec) + zn = self.zn.getcoords() + # some self.tetrhdrlAngDev() test in the future + tetrhdrlAngDev = 3.23 # random value just for fun + wise_limit = 12.0 # another randm value for fun :D + if n==3 and tetrhdrlAngDev < wise_limit: + pseudo = deepcopy(self.zn) + pseudo.name = 'TZ' + pseudo.atype = 'TZ' + a,b,c = [a.getcoords() for a in self.rec] # + w = 2*(int(dihedral(a,b,c,zn)) > 0)-1 # 1 or -1 + # normal vector + nv = crossProd(rawVec(a,b), rawVec(b,c)) + # Normalize length + nvn = [w*d*nv[i]/dist(nv,(0,0,0)) for i in range(3)] + x,y,z = [zn[i]+nvn[i] for i in range(3)] # origin on zn + pseudo.x = x + pseudo.y = y + pseudo.z = z + else: + pseudo = None + return pseudo + + def getAngles(self, atoms): + out = [] + N = len(atoms) + #print N + for i in range(N): + for j in range(i+1, N): + out.append(self.zn.angle(atoms[i], atoms[j])) + return out + + #def getCarboxy_Atoms_others(self): + #coo_oxys = [znobj.rec[i] for i in znobj.recOmask] + #coo_oxys += [znobj.lig[i] for i in znobj.ligOmask] + #others = [a for a in znobj.rec if a not in coo_oxys] + #others += [a for a in znobj.lig if a not in coo_oxys] + + def recTetraDev(self): + """ Fast function - could be easily wrapped outside""" + angs = self.getAngles(self.rec) + devs = [(ang - 109.5)**2 for ang in angs] + return math.sqrt( (sum(devs)) / len(devs)) + + def ligTZrmsd(self, d = 2): + tz = self.tetrahedral_pseudo(d) + if tz == None: + return tz + devs = [(a.dist(tz))**2 for a in self.lig] + return math.sqrt( float(sum(devs)) / len(devs)) + +def about(): + print('Description:') + print(' places tetrahedral zinc pseudo atoms (atom type = TZ)') + print(' required by the forcefield "AutoDock4Zn"') + print(' http://pubs.acs.org/doi/abs/10.1021/ci500209e') + print('') + print(' TZ pseudo atoms are placed next to Zn atoms that may become') + print(' tetrahedraly coordinated after ligand binding.') + print(' Also, the charge of Zn atoms is set to zero.') + print(' Only ATOM and HETATM records are kept in the output') + +def usage(): + print('Typical usage:') + print(' python zinc_pseudo.py -r receptor.pdbqt') + print('Options:') + print(' -r input receptor filename') + print(' -o output receptor filename | default = "input"_TZ.pdbqt') + print(' -h print this help message and exit') + print(' -a print "about" message and exit') + +def main(): + + import getopt + from os.path import splitext + + try: + opts, args = getopt.gnu_getopt(sys.argv[1:], 'r:o:ah', ['help']) + except getopt.GetoptError as err: + print((str(err))) # will print something like "option -a not recognized" + usage() + sys.exit(2) + + # Parse arguments + for o, a in opts: + if o in ['--help', '-h']: + usage() + sys.exit() + if o == '-a': + about() + sys.exit() + if o == '-r': + input_name = a + if o == '-o': + output_name = a + + if not 'input_name' in locals(): + usage() + sys.stderr.write('Error:\n missing input receptor\n') + sys.exit(2) + + if not 'output_name' in locals(): + (stem_name, extension) = splitext(input_name) + output_name = stem_name + '_TZ' + extension + + # Fixed values + distance = 2.0 # zinc to TZ pseudo atom + carboxy = 0.5 # carboxylate averaging parameter (Supp. Info of paper) + cutoff = 2.5 # to consider receptor atoms as zinc-coordinated + + # Load molecules + r, num_tz, lastserial, non_atom_text = load_pdbqt(input_name) + if num_tz: + sys.stderr.write( + 'WARNING: ignoring TZ pseudo-atoms in %s\n' % input_name) + + # Get list of lists of atoms nearby each Zn atom + atoms_by_zn = bruteNearbyAtoms(r) + + # Process Zn spheres + znobjs = [] + tz_list = [] + for alist in atoms_by_zn: # for each list of atoms nearby a zn atom + zn = alist[0] + znobj = znShell(zn, cutoff, carboxy) + znobj.proc_rec(alist[1:]) # alist[0] is zn + znobjs.append(znobj) + tz_list.append(znobj.tetrahedral_pseudo(distance)) + + # generate TZ pseudo atoms text + tz_list = [tz for tz in tz_list if tz] # Removes tz == None + for tz in tz_list: + lastserial += 1 + tz.serial = lastserial + r.append(tz) + print(('Wrote %d TZ atoms on %s.' % (len(tz_list), output_name))) + + # write file + recfile = open(output_name, 'w') + for (counter, atom) in enumerate(r): + if counter in non_atom_text: + for line in non_atom_text[counter]: + recfile.write(line) + recfile.write(atom.getline()) + recfile.close() + + +def zinc_pseudo(input_file, output_file = None): + + + if not output_file: + output_name = input_file.parent / f"{input_file.stem}_TZ.pdbqt" + else: + output_name = str(output_file) + + input_name = str(input_file) + + # Fixed values + distance = 2.0 # zinc to TZ pseudo atom + carboxy = 0.5 # carboxylate averaging parameter (Supp. Info of paper) + cutoff = 2.5 # to consider receptor atoms as zinc-coordinated + + # Load molecules + r, num_tz, lastserial, non_atom_text = load_pdbqt(input_name) + if num_tz: + sys.stderr.write( + 'WARNING: ignoring TZ pseudo-atoms in %s\n' % input_name) + + # Get list of lists of atoms nearby each Zn atom + atoms_by_zn = bruteNearbyAtoms(r) + + # Process Zn spheres + znobjs = [] + tz_list = [] + for alist in atoms_by_zn: # for each list of atoms nearby a zn atom + zn = alist[0] + znobj = znShell(zn, cutoff, carboxy) + znobj.proc_rec(alist[1:]) # alist[0] is zn + znobjs.append(znobj) + tz_list.append(znobj.tetrahedral_pseudo(distance)) + + # generate TZ pseudo atoms text + tz_list = [tz for tz in tz_list if tz] # Removes tz == None + for tz in tz_list: + lastserial += 1 + tz.serial = lastserial + r.append(tz) + print(('Wrote %d TZ atoms on %s.' % (len(tz_list), output_name))) + + # write file + recfile = open(output_name, 'w') + for (counter, atom) in enumerate(r): + if counter in non_atom_text: + for line in non_atom_text[counter]: + recfile.write(line) + recfile.write(atom.getline()) + recfile.close() + return output_file + + + +if __name__=="__main__": + main() + diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 0000000..7fc63b5 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,146 @@ +name: mscreen +channels: + - conda-forge + - defaults +dependencies: + - _libgcc_mutex=0.1=conda_forge + - _openmp_mutex=4.5=1_gnu + - acpype=2021.02.05.22.15=pyhd8ed1ab_0 + - ambertools=21.0=py38he7fa2f3_0 + - arpack=3.7.0=hdefa2d7_2 + - backcall=0.2.0=pyh9f0ad1d_0 + - backports=1.0=py_2 + - backports.functools_lru_cache=1.6.4=pyhd8ed1ab_0 + - boost=1.74.0=py38hc10631b_3 + - boost-cpp=1.74.0=h312852a_4 + - bzip2=1.0.8=h7f98852_4 + - c-ares=1.17.1=h7f98852_1 + - ca-certificates=2021.5.30=ha878542_0 + - cairo=1.16.0=h6cf1ce9_1008 + - certifi=2021.5.30=py38h578d9bd_0 + - cloudpickle=1.6.0=py_0 + - curl=7.77.0=hea6ffbf_0 + - cycler=0.10.0=py_2 + - cython=0.29.23=py38h709712a_0 + - decorator=5.0.9=pyhd8ed1ab_0 + - fftw=3.3.9=nompi_h74d3f13_101 + - fontconfig=2.13.1=hba837de_1005 + - freetype=2.10.4=h0708190_1 + - gettext=0.19.8.1=h0b5b191_1005 + - greenlet=1.1.0=py38h709712a_0 + - hdf4=4.2.15=h10796ff_3 + - hdf5=1.10.6=nompi_h6a2412b_1114 + - icu=68.1=h58526e2_0 + - ipykernel=5.5.5=py38hd0cf306_0 + - ipython=7.23.1=py38hd0cf306_0 + - ipython_genutils=0.2.0=py_1 + - jbig=2.1=h7f98852_2003 + - jedi=0.18.0=py38h578d9bd_2 + - jpeg=9d=h36c2ea0_0 + - jupyter_client=6.1.12=pyhd8ed1ab_0 + - jupyter_core=4.7.1=py38h578d9bd_0 + - kiwisolver=1.3.1=py38h1fd1430_1 + - krb5=1.19.1=hcc1bbae_0 + - lcms2=2.12=hddcbb42_0 + - ld_impl_linux-64=2.33.1=h53a641e_7 + - lerc=2.2.1=h9c3ff4c_0 + - libblas=3.9.0=9_openblas + - libcblas=3.9.0=9_openblas + - libcurl=7.77.0=h2574ce0_0 + - libdeflate=1.7=h7f98852_5 + - libedit=3.1.20191231=he28a2e2_2 + - libev=4.33=h516909a_1 + - libffi=3.3=he6710b0_2 + - libgcc-ng=9.3.0=h2828fa1_19 + - libgfortran-ng=9.3.0=hff62375_19 + - libgfortran5=9.3.0=hff62375_19 + - libglib=2.68.2=h3e27bee_0 + - libgomp=9.3.0=h2828fa1_19 + - libiconv=1.16=h516909a_0 + - liblapack=3.9.0=9_openblas + - libnetcdf=4.8.0=nompi_hcd642e3_103 + - libnghttp2=1.43.0=h812cca2_0 + - libopenblas=0.3.15=pthreads_h8fe5266_1 + - libpng=1.6.37=h21135ba_2 + - libsodium=1.0.18=h36c2ea0_1 + - libssh2=1.9.0=ha56f1ee_6 + - libstdcxx-ng=9.3.0=h6de172a_19 + - libtiff=4.3.0=hf544144_1 + - libuuid=2.32.1=h7f98852_1000 + - libwebp-base=1.2.0=h7f98852_2 + - libxcb=1.13=h7f98852_1003 + - libxml2=2.9.12=h72842e0_0 + - libzip=1.7.3=h4de3113_0 + - lz4-c=1.9.3=h9c3ff4c_0 + - matplotlib-base=3.4.2=py38hcc49a3a_0 + - matplotlib-inline=0.1.2=pyhd8ed1ab_2 + - ncurses=6.2=he6710b0_1 + - netcdf-fortran=4.5.3=nompi_hf3f1587_104 + - nomkl=1.0=h5ca1d4c_0 + - numpy=1.20.3=py38h9894fe3_1 + - olefile=0.46=pyh9f0ad1d_1 + - openbabel=3.1.1=py38hf4b5c11_1 + - openjpeg=2.4.0=hb52868f_1 + - openssl=1.1.1k=h7f98852_0 + - packmol=20.010=h86c2bf4_0 + - pandas=1.2.4=py38h1abd341_0 + - parmed=3.4.1=py38h709712a_0 + - parso=0.8.2=pyhd8ed1ab_0 + - pcre=8.44=he1b5a44_0 + - perl=5.32.0=h36c2ea0_0 + - pexpect=4.8.0=pyh9f0ad1d_2 + - pickleshare=0.7.5=py_1003 + - pillow=8.2.0=py38ha0e1e83_1 + - pip=21.1.1=py38h06a4308_0 + - pixman=0.40.0=h36c2ea0_0 + - prompt-toolkit=3.0.18=pyha770c72_0 + - pthread-stubs=0.4=h36c2ea0_1001 + - ptyprocess=0.7.0=pyhd3deb0d_0 + - pycairo=1.20.0=py38hf61ee4a_1 + - pygments=2.9.0=pyhd8ed1ab_0 + - pyparsing=2.4.7=pyh9f0ad1d_0 + - python=3.8.10=hdb3f193_7 + - python-dateutil=2.8.1=py_0 + - python_abi=3.8=1_cp38 + - pytz=2021.1=pyhd8ed1ab_0 + - pyzmq=22.1.0=py38h2035c66_0 + - rdkit=2021.03.2=py38hf8acc3d_0 + - readline=8.1=h27cfd23_0 + - reportlab=3.5.67=py38hadf75a6_0 + - scipy=1.6.3=py38h7b17777_0 + - setuptools=52.0.0=py38h06a4308_0 + - six=1.16.0=pyh6c4a22f_0 + - spyder-kernels=2.0.3=py38h578d9bd_0 + - sqlalchemy=1.4.15=py38h497a2fe_0 + - sqlite=3.35.4=hdfb4753_0 + - tk=8.6.10=hbc83047_0 + - tornado=6.1=py38h497a2fe_1 + - traitlets=5.0.5=py_0 + - wcwidth=0.2.5=pyh9f0ad1d_2 + - wheel=0.36.2=pyhd3eb1b0_0 + - wurlitzer=2.1.0=py38h578d9bd_0 + - xorg-kbproto=1.0.7=h7f98852_1002 + - xorg-libice=1.0.10=h7f98852_0 + - xorg-libsm=1.2.3=hd9c2040_1000 + - xorg-libx11=1.7.1=h7f98852_0 + - xorg-libxau=1.0.9=h7f98852_0 + - xorg-libxdmcp=1.1.3=h7f98852_0 + - xorg-libxext=1.3.4=h7f98852_1 + - xorg-libxrender=0.9.10=h7f98852_1003 + - xorg-libxt=1.2.1=h7f98852_2 + - xorg-renderproto=0.11.1=h7f98852_1002 + - xorg-xextproto=7.3.0=h7f98852_1002 + - xorg-xproto=7.0.31=h7f98852_1007 + - xz=5.2.5=h7b6447c_0 + - zeromq=4.3.4=h9c3ff4c_0 + - zlib=1.2.11=h7b6447c_3 + - zstd=1.5.0=ha95c52a_0 + - pip: + - amberlite==16.0 + - amberutils==21.0 + - mmpbsa-py==16.0 + - packmol-memgen==1.1.0rc0 + - pdb4amber==20.1 + - pytraj==2.0.6 + - sander==16.0 +prefix: /home/edd/anaconda3/envs/mscreen diff --git a/test/00_test_mscreenCLI_prepare.sh b/test/00_test_mscreenCLI_prepare.sh new file mode 100644 index 0000000..f3c74c9 --- /dev/null +++ b/test/00_test_mscreenCLI_prepare.sh @@ -0,0 +1,30 @@ +#$ -S /bin/sh -cwd +# $ -pe mpi.singlehost 12 +# export OMP_NUM_THREADS=14 +# module load Anaconda3/5.3.0 + +echo "##############################################" +echo "TESTING PREPARING VINA" +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -d vina -v +echo PREPARING VINA OK + +echo "##############################################" +echo TESTING PREPARING PLANTS +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d plants +echo "PREPARING VINA PLANTS" + +echo "##############################################" +echo TESTING PREPARING DOCK +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d dock +echo "PREPARING VINA DOCK" + +echo "##############################################" +echo TESTING PREPARING AUTODOCK +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodock +echo PREPARING PREPARING AUTODOCK + +echo "##############################################" +echo TESTING PREPARING AUTODOCKZN +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodockzn +echo PREPARING PREPARING AUTODOCKZN + diff --git a/test/01_test_mscreenCLI_screening.sh b/test/01_test_mscreenCLI_screening.sh new file mode 100644 index 0000000..66cadd9 --- /dev/null +++ b/test/01_test_mscreenCLI_screening.sh @@ -0,0 +1,61 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +module load Anaconda3/5.3.0 + + +# echo "##############################################" +# echo "TESTING SCREENING+PREPARE VINA" +# python mscreen.py screen -l ../data/ligands -r ../data/receptors -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening-prepare -d vina -v -p +# echo SCREENING+PREPARE VINA OK + +# echo "##############################################" +# echo TESTING SCREENING+PREPARE PLANTS +# python mscreen.py screen -l ../data/ligands -r ../data/receptors -c ../data/config_plants_speed1.txt -o ../data/out-plants-screening-prepare -v -d plants -p +# echo"SCREENING+PREPARE PLANTS + +# echo "##############################################" +# echo TESTING SCREENING+PREPARE DOCK +# python mscreen.py screen -l ../data/ligands -r ../data/receptors -c ../data/config_dock_sample.txt -o ../data/out-dock-screening-prepare -v -d dock -p +# echo SCREENING+PREPARE DOCK + +# echo "##############################################" +# echo TESTING SCREENING+PREPARE AUTODOCK +# python mscreen.py screen -l ../data/ligands -r ../data/receptors -c ../data/config_vina_ex1.txt -o ../data/out-autodock-screening-prepare -v -d autodock -p +# echo PREPARING SCREENING+PREPARE AUTODOCK + +# echo "##############################################" +# echo TESTING SCREENING+PREPARE AUTODOCKZN +# python mscreen.py screen -l ../data/ligands -r ../data/receptors -c ../data/config_vina_ex1.txt -o ../data/out-autodockzn-screening-prepare -v -d autodockzn -p +# echo PREPARING SCREENING+PREPARE AUTODOCKZN + + +echo "##############################################" +echo "----------------------------------------------" +echo "----------------------------------------------" +echo "##############################################" + +echo "##############################################" +echo "TESTING SCREENING VINA" +python mscreen.py screen -l ../data/prepare/prepared_ligands_vina -r ../data/prepare/prepared_receptors_vina -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening -d vina -v +echo SCREENING VINA OK + +echo "##############################################" +echo TESTING SCREENING PLANTS +python mscreen.py screen -l ../data/prepare/prepared_ligands_plants -r ../data/prepare/prepared_receptors_plants -c ../data/config_plants_speed1.txt -o ../data/out-plants-screening -v -d plants +echo"SCREENING PLANTS + +echo "##############################################" +echo TESTING SCREENING DOCK +python mscreen.py screen -l ../data/prepare/prepared_ligands_dock -r ../data/prepare/prepared_receptors_dock -c ../data/config_dock_sample.txt -o ../data/out-dock-screening -v -d dock +echo"SCREENING DOCK + +echo "##############################################" +echo TESTING SCREENING AUTODOCK +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -c ../data/config_vina_ex1.txt -o ../data/out-autodock-screening -v -d autodock +echo PREPARING SCREENING AUTODOCK + +echo "##############################################" +echo TESTING SCREENING AUTODOCKZN +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -c ../data/config_vina_ex1.txt -o ../data/out-autodockzn-screening -v -d autodockzn +echo PREPARING SCREENING AUTODOCKZN + diff --git a/test/02_test_mscreenCLI_analysis.sh b/test/02_test_mscreenCLI_analysis.sh new file mode 100644 index 0000000..58b3b02 --- /dev/null +++ b/test/02_test_mscreenCLI_analysis.sh @@ -0,0 +1,24 @@ +#$ -S /bin/sh -cwd +# $ -pe mpi.singlehost 12 +export OMP_NUM_THREADS=14 +module load Anaconda3/5.3.0 + +echo '##############################################' +echo TESTING ANALYSIS VINA +python mscreen.py analysis -d vina -i ../data/out-vina-screening-prepare -t short +python mscreen.py analysis -d vina -i ../data/out-vina-screening-prepare -t full +echo ANALYSIS VINA OK + + +echo "##############################################" +echo TESTING ANALYSIS PLANTS +python mscreen.py analysis -d plants -i ../data/out-plants-screening-prepare -t short +python mscreen.py analysis -d plants -i ../data/out-plants-screening-prepare -t full +echo ANALYSIS PLANTS OK + +echo "##############################################" +echo TESTING ANALYSIS DOCK + python mscreen.py analysis -d dock -i ../data/out-dock-screening -t short +python mscreen.py analysis -d dock -i ../data/out-dock-screening-prepare -t full +echo ANALYSIS DOCK OK +echo "##############################################" diff --git a/test/10_test_mscreenCLI_prepare.bat b/test/10_test_mscreenCLI_prepare.bat new file mode 100644 index 0000000..39283c8 --- /dev/null +++ b/test/10_test_mscreenCLI_prepare.bat @@ -0,0 +1,17 @@ +echo "##############################################" +echo "TESTING PREPARING VINA" +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -d vina -v +echo PREPARING VINA OK +echo "##############################################" +echo TESTING PREPARING PLANTS +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d plants +echo "PREPARING VINA PLANTS" +echo "##############################################" +echo TESTING PREPARING AUTODOCK +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodock +echo "PREPARING AUTODOCK" +echo "##############################################" +echo TESTING PREPARING AUTODOCK ZN +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodockzn +echo "PREPARING AUTODOCK ZN" + diff --git a/test/11_test_mscreenCLI_screening.bat b/test/11_test_mscreenCLI_screening.bat new file mode 100644 index 0000000..ac1d311 --- /dev/null +++ b/test/11_test_mscreenCLI_screening.bat @@ -0,0 +1,52 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +@REM module load Anaconda3/5.3.0 + + + +@REM echo "##############################################" +@REM echo "TESTING SCREENING+PREPARE VINA" +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening-prepare -d vina -v -p +@REM echo SCREENING+PREPARE VINA OK + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE PLANTS +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_plants_speed1.txt -o ../data/out-plants-screening-prepare -v -d plants -p +@REM echo"SCREENING+PREPARE PLANTS + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE AUTODOCK +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_autodock.txt -o ../data/out-autodock-screening-prepare -v -d autodock -p +@REM echo PREPARING SCREENING+PREPARE AUTODOCK + +@REM echo "##############################################" +@REM echo TESTING SCREENING+PREPARE AUTODOCKZN +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptor -c ../data/test_autodockzn.txt -o ../data/out-autodockzn-screening-prepare -v -d autodockzn -p +@REM echo PREPARING SCREENING+PREPARE AUTODOCKZN + + +echo "##############################################" +echo "----------------------------------------------" +echo "----------------------------------------------" +echo "##############################################" + +echo "##############################################" +echo "TESTING SCREENING VINA" +python mscreen.py screen -l ../data/prepare/prepared_ligands_vina -r ../data/prepare/prepared_receptors_vina -c ../data/config_vina_ex2.txt -o ../data/out-vina-screening -d vina -v +echo SCREENING VINA OK + +echo "##############################################" +echo TESTING SCREENING PLANTS +python mscreen.py screen -l ../data/prepare/prepared_ligands_plants -r ../data/prepare/prepared_receptors_plants -c ../data/config_plants_speed4.txt -o ../data/out-plants-screening -v -d plants +echo"SCREENING PLANTS + +echo "##############################################" +echo TESTING SCREENING AUTODOCK +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -c ../data/config_vina_ex2.txt -o ../data/out-autodock-screening -v -d autodock +echo PREPARING SCREENING AUTODOCK + +echo "##############################################" +echo TESTING SCREENING AUTODOCKZN +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock_zn -c ../data/config_vina_ex2.txt -o ../data/out-autodockzn-screening -v -d autodockzn +echo PREPARING SCREENING AUTODOCKZN + diff --git a/test/12_test_mscreenCLI_analysis.bat b/test/12_test_mscreenCLI_analysis.bat new file mode 100644 index 0000000..43fb2d5 --- /dev/null +++ b/test/12_test_mscreenCLI_analysis.bat @@ -0,0 +1,37 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +@REM module load Anaconda3/5.3.0 + +@REM echo '##############################################' +echo TESTING ANALYSIS VINA +python mscreen.py analysis -d vina -i ../data/out-vina-screening -t short +python mscreen.py analysis -d vina -i ../data/out-vina-screening -t full +echo ANALYSIS VINA OK + +echo "##############################################" +echo TESTING ANALYSIS AUTODOCK +python mscreen.py analysis -d autodock -i ../data/out-autodock-screening -t short +python mscreen.py analysis -d autodock -i ../data/out-autodock-screening -t full +echo ANALYSIS AUTODOCK OK + +echo "##############################################" +echo TESTING ANALYSIS AUTODOCKZN +python mscreen.py analysis -d autodockzn -i ../data/out-autodockzn-screening -t short +python mscreen.py analysis -d autodockzn -i ../data/out-autodockzn-screening -t full +echo ANALYSIS AUTODOCKZN OK + + +echo "##############################################" +echo TESTING ANALYSIS PLANTS +python mscreen.py analysis -d plants -i ../data/out-plants-screening -t short +python mscreen.py analysis -d plants -i ../data/out-plants-screening -t full +echo ANALYSIS PLANTS OK + +echo "##############################################" +echo TESTING ANALYSIS DOCK +python mscreen.py analysis -d dock -i ../data/out-dock-screening -t short +python mscreen.py analysis -d dock -i ../data/out-dock-screening -t full +echo ANALYSIS DOCK OK +echo "##############################################" + + diff --git a/test/test_mscreenCLI_prepare.bat b/test/test_mscreenCLI_prepare.bat new file mode 100644 index 0000000..07ef32b --- /dev/null +++ b/test/test_mscreenCLI_prepare.bat @@ -0,0 +1,12 @@ +echo "##############################################" +@REM echo "TESTING PREPARING VINA" +@REM python mscreen.py prepare -l ../data/ligands -r ../data/receptor -o ../data/prepare -d vina -v +@REM echo PREPARING VINA OK +@REM echo "##############################################" +@REM echo TESTING PREPARING AUTODOCK +@REM python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodock +@REM echo "PREPARING AUTODOCK" +echo "##############################################" +echo TESTING PREPARING AUTODOCK ZN +python mscreen.py prepare -l ../data/ligands -r ../data/receptors -o ../data/prepare -v -d autodockzn +echo "PREPARING AUTODOCK ZN" \ No newline at end of file diff --git a/test/test_mscreenCLI_screening.bat b/test/test_mscreenCLI_screening.bat new file mode 100644 index 0000000..65032ef --- /dev/null +++ b/test/test_mscreenCLI_screening.bat @@ -0,0 +1,25 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +@REM module load Anaconda3/5.3.0 + +@REM echo '##############################################' +@REM echo TESTING SCREEN VINA +@REM python mscreen.py screen -l ../data/prepare/prepared_ligands_vina -r ../data/prepare/prepared_receptors_vina -o ../data/out-test-vina_ex1 -c ../data/config_vina_ex8.txt -log ../data/workshop_vina_ex8.log -v -d vina + +@REM echo PREPARING VINA OK +echo "##############################################" +@REM echo TESTING SCREEN AUTODOCK +@REM python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -o ../data/out-test-autodock -log ../data/test_autodock.log -d autodock -v +@REM echo SCREEN AUTODOCK OK + +@REM echo TESTING FULL SCREEN AUTODOCK +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptors -o ../data/out-test-autodock -log ../data/test_autodock.log -d autodock -v -p +@REM echo SCREEN AUTODOCK OK + +@REM echo TESTING FULL SCREEN AUTODOCK ZN +@REM python mscreen.py screen -l ../data/ligands -r ../data/receptors -o ../data/out-test-autodockzn -log ../data/test_autodockzn.log -d autodockzn -v -p +@REM echo SCREEN AUTODOCK ZN + +echo TESTING FULL SCREEN AUTODOCK ZN +python mscreen.py screen -l ../data/prepare/prepared_ligands_autodock -r ../data/prepare/prepared_receptors_autodock -o ../data/out-test-autodockzn -log ../data/test_autodockzn.log -d autodockzn -v +echo SCREEN AUTODOCK ZN diff --git a/test/test_mscreenCLI_screening.sh b/test/test_mscreenCLI_screening.sh new file mode 100644 index 0000000..3f40a0d --- /dev/null +++ b/test/test_mscreenCLI_screening.sh @@ -0,0 +1,20 @@ +#$ -S /bin/sh -cwd +#$ -pe mpi.singlehost 8 +module load Anaconda3/5.3.0 + +echo '##############################################' +echo TESTING SCREEN VINA +python mscreen.py screen -d vina -l ../data/prepare/prepared_ligands_vina \ + -r ../data/prepare/prepared_receptors_vina \ + -o ../data/out-test-vina_ex1 \ + -c ../data/config_vina_ex8.txt \ + -log ../data/PfA-M1_2a_vina_ex8.log\ + -v + +echo PREPARING VINA OK +echo "##############################################" +echo TESTING SCREEN dock +python mscreen.py screen -d dock -l ../data/prepare/prepared_ligands_dock -r ../data/prepare/prepared_receptors_dock -o ../data/out-test-dock_speed4 -c ../data/config_dock_flex_sample.txt -log ../data/test_dock_flex.log -v +echo PREPARING dock OK + +